USER MOD reduce.3.24.130724 H: found=0, std=0, add=2607, rem=0, adj=91 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER SIGNALING PROTEIN 16-NOV-00 1G85 TITLE CRYSTAL STRUCTURE OF BOVINE ODORANT BINDING PROTEIN COMPLEXED WITH IS TITLE 2 NATURAL LIGAND COMPND MOL_ID: 1; COMPND 2 MOLECULE: ODORANT-BINDING PROTEIN; COMPND 3 CHAIN: A, B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS LIPOCALIN, SWAPPING DOMAIN, HOMODIMER, SIGNALING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR F.VINCENT,S.SPINELLI,C.CAMBILLAU,M.TEGONI REVDAT 4 05-MAR-14 1G85 1 HETNAM VERSN REVDAT 3 24-FEB-09 1G85 1 VERSN REVDAT 2 01-APR-03 1G85 1 JRNL REVDAT 1 26-JUN-02 1G85 0 JRNL AUTH R.RAMONI,F.VINCENT,S.GROLLI,V.CONTI,C.MALOSSE,F.D.BOYER, JRNL AUTH 2 P.NAGNAN-LE MEILLOUR,S.SPINELLI,C.CAMBILLAU,M.TEGONI JRNL TITL THE INSECT ATTRACTANT 1-OCTEN-3-OL IS THE NATURAL LIGAND OF JRNL TITL 2 BOVINE ODORANT-BINDING PROTEIN. JRNL REF J.BIOL.CHEM. V. 276 7150 2001 JRNL REFN ISSN 0021-9258 JRNL PMID 11114310 JRNL DOI 10.1074/JBC.M010368200 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.TEGONI,S.SPINELLI,C.CAMBILLAU,S.SPINELLI REMARK 1 TITL DOMAIN SWAPPING CREATES A THIRD PUTATIVE COMBINING SITE IN REMARK 1 TITL 2 BOVINE ODORANT BINDING PROTEIN DIMER. REMARK 1 REF NAT.STRUCT.BIOL. V. 3 863 1996 REMARK 1 REFN ISSN 1072-8368 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.30 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 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 : 26967 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.203 REMARK 3 FREE R VALUE : 0.228 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1309 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2640 REMARK 3 BIN FREE R VALUE : 0.2970 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 215 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.020 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2581 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 36 REMARK 3 SOLVENT ATOMS : 150 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 35.94 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 42.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.84000 REMARK 3 B22 (A**2) : -5.30000 REMARK 3 B33 (A**2) : 6.14000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.11000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.21 REMARK 3 ESD FROM SIGMAA (A) : 0.12 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 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) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.800 REMARK 3 IMPROPER ANGLES (DEGREES) : 2.120 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 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: NULL REMARK 4 REMARK 4 1G85 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-NOV-00. REMARK 100 THE RCSB ID CODE IS RCSB012353. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-MAY-00 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 5.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : OSMIC MIRRORS REMARK 200 OPTICS : OSMIC MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 107952 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 55.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 45.0 REMARK 200 DATA REDUNDANCY : 4.000 REMARK 200 R MERGE (I) : 0.08400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 5.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 55.00 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.8 REMARK 200 DATA REDUNDANCY IN SHELL : 4.00 REMARK 200 R MERGE FOR SHELL (I) : 0.23000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 1PBO REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.21 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 38% ETHANOL, 25MM SODIUM CITRATE, PH REMARK 280 5.7, MICRODIALYSIS, TEMPERATURE 4K, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 32.75000 REMARK 290 SMTRY3 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 6470 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 16330 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -4.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA B 1 REMARK 465 GLN B 2 REMARK 465 PRO B 158 REMARK 465 GLU B 159 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 LYS A 108 CE NZ 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 GLN A 2 -141.80 -87.16 REMARK 500 TYR A 83 112.69 -170.78 REMARK 500 GLU A 151 76.40 -116.59 REMARK 500 VAL B 20 -60.94 -108.15 REMARK 500 TYR B 83 115.64 -169.40 REMARK 500 LYS B 108 -0.76 -58.87 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 B1068 DISTANCE = 5.03 ANGSTROMS REMARK 525 HOH B1076 DISTANCE = 7.09 ANGSTROMS REMARK 525 HOH B1079 DISTANCE = 6.19 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3OL A 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3OL A 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3OL B 1003 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3OL B 1004 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1OBP RELATED DB: PDB REMARK 900 STRUCTURE OF ODORANT-BINDING PROTEIN FROM BOVINE NASAL REMARK 900 MUCOSA DBREF 1G85 A 1 159 UNP P07435 OBP_BOVIN 1 159 DBREF 1G85 B 1 159 UNP P07435 OBP_BOVIN 1 159 SEQADV 1G85 GLY A 117 UNP P07435 GLU 117 CONFLICT SEQADV 1G85 ASN A 154 UNP P07435 ASP 154 CONFLICT SEQADV 1G85 GLY B 117 UNP P07435 GLU 117 CONFLICT SEQADV 1G85 ASN B 154 UNP P07435 ASP 154 CONFLICT SEQRES 1 A 159 ALA GLN GLU GLU GLU ALA GLU GLN ASN LEU SER GLU LEU SEQRES 2 A 159 SER GLY PRO TRP ARG THR VAL TYR ILE GLY SER THR ASN SEQRES 3 A 159 PRO GLU LYS ILE GLN GLU ASN GLY PRO PHE ARG THR TYR SEQRES 4 A 159 PHE ARG GLU LEU VAL PHE ASP ASP GLU LYS GLY THR VAL SEQRES 5 A 159 ASP PHE TYR PHE SER VAL LYS ARG ASP GLY LYS TRP LYS SEQRES 6 A 159 ASN VAL HIS VAL LYS ALA THR LYS GLN ASP ASP GLY THR SEQRES 7 A 159 TYR VAL ALA ASP TYR GLU GLY GLN ASN VAL PHE LYS ILE SEQRES 8 A 159 VAL SER LEU SER ARG THR HIS LEU VAL ALA HIS ASN ILE SEQRES 9 A 159 ASN VAL ASP LYS HIS GLY GLN THR THR GLU LEU THR GLY SEQRES 10 A 159 LEU PHE VAL LYS LEU ASN VAL GLU ASP GLU ASP LEU GLU SEQRES 11 A 159 LYS PHE TRP LYS LEU THR GLU ASP LYS GLY ILE ASP LYS SEQRES 12 A 159 LYS ASN VAL VAL ASN PHE LEU GLU ASN GLU ASN HIS PRO SEQRES 13 A 159 HIS PRO GLU SEQRES 1 B 159 ALA GLN GLU GLU GLU ALA GLU GLN ASN LEU SER GLU LEU SEQRES 2 B 159 SER GLY PRO TRP ARG THR VAL TYR ILE GLY SER THR ASN SEQRES 3 B 159 PRO GLU LYS ILE GLN GLU ASN GLY PRO PHE ARG THR TYR SEQRES 4 B 159 PHE ARG GLU LEU VAL PHE ASP ASP GLU LYS GLY THR VAL SEQRES 5 B 159 ASP PHE TYR PHE SER VAL LYS ARG ASP GLY LYS TRP LYS SEQRES 6 B 159 ASN VAL HIS VAL LYS ALA THR LYS GLN ASP ASP GLY THR SEQRES 7 B 159 TYR VAL ALA ASP TYR GLU GLY GLN ASN VAL PHE LYS ILE SEQRES 8 B 159 VAL SER LEU SER ARG THR HIS LEU VAL ALA HIS ASN ILE SEQRES 9 B 159 ASN VAL ASP LYS HIS GLY GLN THR THR GLU LEU THR GLY SEQRES 10 B 159 LEU PHE VAL LYS LEU ASN VAL GLU ASP GLU ASP LEU GLU SEQRES 11 B 159 LYS PHE TRP LYS LEU THR GLU ASP LYS GLY ILE ASP LYS SEQRES 12 B 159 LYS ASN VAL VAL ASN PHE LEU GLU ASN GLU ASN HIS PRO SEQRES 13 B 159 HIS PRO GLU HET 3OL A1001 9 HET 3OL A1002 9 HET 3OL B1003 9 HET 3OL B1004 9 HETNAM 3OL (3R)-OCT-1-EN-3-OL FORMUL 3 3OL 4(C8 H16 O) FORMUL 7 HOH *150(H2 O) HELIX 1 1 LEU A 10 SER A 14 5 5 HELIX 2 2 ASN A 26 ILE A 30 5 5 HELIX 3 3 GLU A 125 LYS A 139 1 15 HELIX 4 4 ASP A 142 LYS A 144 5 3 HELIX 5 5 ASN B 9 SER B 14 5 6 HELIX 6 6 ASN B 26 GLN B 31 5 6 HELIX 7 7 GLU B 125 LYS B 139 1 15 HELIX 8 8 ASP B 142 LYS B 144 5 3 HELIX 9 9 PHE B 149 HIS B 155 1 7 SHEET 1 A10 VAL B 146 ASN B 148 0 SHEET 2 A10 GLY A 15 SER A 24 -1 O ILE A 22 N VAL B 147 SHEET 3 A10 TYR A 39 ASP A 46 -1 O ARG A 41 N TRP A 17 SHEET 4 A10 THR A 51 ARG A 60 -1 O THR A 51 N ASP A 46 SHEET 5 A10 LYS A 63 LYS A 73 -1 O LYS A 63 N ARG A 60 SHEET 6 A10 TYR A 79 ASP A 82 -1 O VAL A 80 N THR A 72 SHEET 7 A10 GLN A 86 LEU A 94 -1 N ASN A 87 O ALA A 81 SHEET 8 A10 HIS A 98 VAL A 106 -1 N VAL A 100 O SER A 93 SHEET 9 A10 THR A 112 LYS A 121 -1 N THR A 113 O ASN A 105 SHEET 10 A10 GLY A 15 SER A 24 -1 N ARG A 18 O VAL A 120 SHEET 1 B10 VAL A 146 ASN A 148 0 SHEET 2 B10 GLY B 15 SER B 24 -1 O ILE B 22 N VAL A 147 SHEET 3 B10 TYR B 39 ASP B 46 -1 O ARG B 41 N TRP B 17 SHEET 4 B10 THR B 51 ARG B 60 -1 O THR B 51 N ASP B 46 SHEET 5 B10 LYS B 63 LYS B 73 -1 O LYS B 63 N ARG B 60 SHEET 6 B10 TYR B 79 ASP B 82 -1 N VAL B 80 O THR B 72 SHEET 7 B10 GLN B 86 LEU B 94 -1 N ASN B 87 O ALA B 81 SHEET 8 B10 HIS B 98 VAL B 106 -1 N VAL B 100 O SER B 93 SHEET 9 B10 THR B 112 LYS B 121 -1 O THR B 113 N ASN B 105 SHEET 10 B10 GLY B 15 SER B 24 -1 N ARG B 18 O VAL B 120 SITE *** AC1 3 PHE A 36 PHE A 56 ASN A 103 SITE *** AC2 4 THR A 38 PHE A 56 TYR A 83 THR A 116 SITE *** AC3 1 HOH B1085 SITE *** AC4 4 ASN B 87 PHE B 89 ASN B 103 HOH B1085 CRYST1 55.900 65.500 42.700 90.00 98.80 90.00 P 1 21 1 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 0.017889 0.000000 0.002769 0.00000 SCALE2 0.000000 0.015267 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023698 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B1003 3OL O1 A: rot 170:sc= 0 USER MOD Set 1.2: B1004 3OL O1 B: rot 180:sc= 0 USER MOD Set 2.1: B 87 ASN : amide:sc= 0.402 K(o=1.2,f=-6.9!) USER MOD Set 2.2: B 103 ASN :FLIP amide:sc= -1.74! C(o=-5.7!,f=1.2!) USER MOD Set 2.3: B 105 ASN : amide:sc= 2.56 K(o=1.2,f=-1.3) USER MOD Set 3.1: B 93 SER OG : rot -118:sc= 1.32 USER MOD Set 3.2: B 95 SER OG : rot 167:sc= 0.479 USER MOD Set 3.3: B 98 HIS :FLIP no HE2:sc= 0.91 F(o=-10!,f=2.7) USER MOD Set 4.1: B 74 GLN : amide:sc= 0.0178 X(o=1.3,f=1.2) USER MOD Set 4.2: B 78 THR OG1 : rot -66:sc= 1.32 USER MOD Set 5.1: B 57 SER OG : rot -78:sc= 0.0391 USER MOD Set 5.2: B 66 ASN : amide:sc= 0.799 K(o=0.84,f=-4.1!) USER MOD Set 6.1: A 152 ASN :FLIP amide:sc= 0.151 F(o=-0.088,f=1.5) USER MOD Set 6.2: B 39 TYR OH : rot 61:sc= 1.34 USER MOD Set 7.1: A 38 THR OG1 : rot 28:sc= 0.31 USER MOD Set 7.2: A1001 3OL O1 A: rot -154:sc= 0.31 USER MOD Set 7.3: A1002 3OL O1 B: rot 46:sc= -1.3! USER MOD Set 8.1: A 144 LYS NZ :NH3+ -162:sc= -0.582 (180deg=-1.12) USER MOD Set 8.2: A 145 ASN : amide:sc= -1.63 K(o=-2.2,f=-6.5!) USER MOD Set 9.1: A 136 THR OG1 : rot 80:sc= 1.28 USER MOD Set 9.2: B 116 THR OG1 : rot 160:sc= 0.496 USER MOD Set10.1: A 116 THR OG1 : rot 159:sc= 0.287 USER MOD Set10.2: B 136 THR OG1 : rot 76:sc= 1.38 USER MOD Set11.1: A 93 SER OG A: rot 110:sc= 0.197 USER MOD Set11.2: A 93 SER OG B: rot -172:sc= 0.998 USER MOD Set11.3: A 95 SER OG : rot -110:sc= 1.41 USER MOD Set11.4: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set11.5: A 98 HIS :FLIP no HD1:sc= 0.74 F(o=-14!,f=3.3) USER MOD Set12.1: A 87 ASN :FLIP amide:sc= 1.16 F(o=-7.7!,f=-0.46) USER MOD Set12.2: A 103 ASN :FLIP amide:sc= -3.37! C(o=-7.6!,f=-0.46!) USER MOD Set12.3: A 105 ASN : amide:sc= 1.75 K(o=-0.46,f=-2.9) USER MOD Set13.1: A 74 GLN :FLIP amide:sc= -2.14! C(o=-3.6!,f=-1.9!) USER MOD Set13.2: A 78 THR OG1 : rot 83:sc= 0.19 USER MOD Set14.1: A 8 GLN :FLIP amide:sc= -0.164 F(o=-2.9!,f=-0.052) USER MOD Set14.2: A 73 LYS NZ :NH3+ -142:sc= 0.112 (180deg=0) USER MOD Set15.1: A 57 SER OG : rot -80:sc= 0.569 USER MOD Set15.2: A 66 ASN : amide:sc= 0.0708 K(o=0.64,f=-0.31) USER MOD Set16.1: A 55 TYR OH : rot -97:sc= 0.00293 USER MOD Set16.2: A 68 HIS :FLIP no HE2:sc= -0.658 F(o=-2.4,f=-0.65) USER MOD Set17.1: A 39 TYR OH : rot 164:sc= 1.28 USER MOD Set17.2: B 152 ASN : amide:sc= -0.0321 K(o=1.3,f=0.15) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00274 X(o=-0.0027,f=-0.21) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.269 F(o=-1!,f=-0.27) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 88:sc= 1.38 USER MOD Single : A 19 THR OG1 : rot -50:sc= 0.495 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -124:sc= 0.562 USER MOD Single : A 25 THR OG1 : rot 160:sc= 0.261 USER MOD Single : A 26 ASN : amide:sc= -0.764 K(o=-0.76,f=-5.4!) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0.109 (180deg=0.0876) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0489 F(o=-1.7!,f=-0.049) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.27 F(o=-2.2!,f=-0.27) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= 0.144 (180deg=0.0248) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.149 (180deg=-0.983) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 136:sc= -0.137 (180deg=-1.07) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -156:sc= 1.34 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.336 F(o=-3.3!,f=-0.34) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.0304 (180deg=-0.231) USER MOD Single : A 102 HIS : no HD1:sc= -0.0511 K(o=-0.051,f=-3.2!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 111 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 93:sc= 1.32 USER MOD Single : A 121 LYS NZ :NH3+ -129:sc= 0.149 (180deg=-0.107) USER MOD Single : A 123 ASN : amide:sc= -0.901 K(o=-0.9,f=-3.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -176:sc= 0.316 (180deg=0.299) USER MOD Single : A 139 LYS NZ :NH3+ -160:sc= 1.33 (180deg=1.16) USER MOD Single : A 143 LYS NZ :NH3+ -129:sc= -0.0084 (180deg=-0.136) USER MOD Single : A 148 ASN : amide:sc= -0.694 K(o=-0.69,f=-7.1!) USER MOD Single : A 154 ASN :FLIP amide:sc= -1.86 F(o=-2.9!,f=-1.9) USER MOD Single : A 155 HIS : no HE2:sc= -0.542 K(o=-0.54,f=-1.3) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 ASN : amide:sc= -0.0762 X(o=-0.076,f=0.13) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 94:sc= 0.781 USER MOD Single : B 19 THR OG1 : rot -18:sc= 0.34 USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 SER OG : rot -131:sc= 1.23 USER MOD Single : B 25 THR OG1 : rot 160:sc= 0.345 USER MOD Single : B 26 ASN : amide:sc= -4.02! C(o=-4!,f=-11!) USER MOD Single : B 29 LYS NZ :NH3+ 175:sc= 0.887 (180deg=0.878) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 33 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 38 THR OG1 : rot 33:sc= 0.181 USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= -0.0318 (180deg=-0.185) USER MOD Single : B 51 THR OG1 : rot 82:sc= 0.678 USER MOD Single : B 55 TYR OH : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -173:sc= -2.58! (180deg=-2.96!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 HIS :FLIP no HD1:sc= 1.1 F(o=-3.6!,f=1.1) USER MOD Single : B 70 LYS NZ :NH3+ 146:sc= -0.0645 (180deg=-0.418) USER MOD Single : B 72 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ -158:sc= -0.0315 (180deg=-0.41) USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 83 TYR OH : rot -177:sc= 1.26 USER MOD Single : B 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 90 LYS NZ :NH3+ -158:sc= -0.138 (180deg=-0.65) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 HIS : no HD1:sc= -0.0327 K(o=-0.033,f=-2.9!) USER MOD Single : B 108 LYS NZ :NH3+ -148:sc= 0.0474 (180deg=-0.429) USER MOD Single : B 109 HIS : no HD1:sc=-0.000978 X(o=-0.00098,f=-0.07) USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0.0026) USER MOD Single : B 112 THR OG1 : rot 180:sc= 0 USER MOD Single : B 113 THR OG1 : rot 89:sc= 1.13 USER MOD Single : B 121 LYS NZ :NH3+ 168:sc= -0.259 (180deg=-0.274) USER MOD Single : B 123 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.22) USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 134 LYS NZ :NH3+ -167:sc= 0.706 (180deg=0.285) USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 143 LYS NZ :NH3+ -162:sc= 0.675 (180deg=0.333) USER MOD Single : B 144 LYS NZ :NH3+ 175:sc= -6.02! (180deg=-6.43!) USER MOD Single : B 145 ASN :FLIP amide:sc= -2.32! C(o=-6.7!,f=-2.3!) USER MOD Single : B 148 ASN :FLIP amide:sc= -0.185 F(o=-5.5!,f=-0.18) USER MOD Single : B 154 ASN :FLIP amide:sc= -2.5! C(o=-5!,f=-2.5!) USER MOD Single : B 155 HIS : no HE2:sc= 0.287 K(o=0.29,f=-4.9!) USER MOD Single : B 157 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.147 -1.890 15.216 1.00 62.65 N ATOM 2 CA ALA A 1 -31.060 -0.886 15.061 1.00 61.07 C ATOM 3 C ALA A 1 -29.703 -1.522 15.300 1.00 61.29 C ATOM 4 O ALA A 1 -29.511 -2.229 16.277 1.00 62.11 O ATOM 5 CB ALA A 1 -31.262 0.255 16.042 1.00 61.20 C ATOM 0 H1 ALA A 1 -32.934 -1.500 15.073 1.00 62.65 H new ATOM 0 H2 ALA A 1 -32.030 -2.547 14.628 1.00 62.65 H new ATOM 0 H3 ALA A 1 -32.128 -2.224 16.041 1.00 62.65 H new ATOM 0 HA ALA A 1 -31.091 -0.544 14.154 1.00 61.07 H new ATOM 0 HB1 ALA A 1 -30.550 0.904 15.934 1.00 61.20 H new ATOM 0 HB2 ALA A 1 -32.116 0.681 15.871 1.00 61.20 H new ATOM 0 HB3 ALA A 1 -31.249 -0.091 16.948 1.00 61.20 H new ATOM 6 N GLN A 2 -28.754 -1.291 14.405 1.00 60.79 N ATOM 7 CA GLN A 2 -27.434 -1.852 14.628 1.00 58.53 C ATOM 8 C GLN A 2 -26.713 -0.816 15.480 1.00 55.71 C ATOM 9 O GLN A 2 -27.317 -0.207 16.367 1.00 52.93 O ATOM 10 CB GLN A 2 -26.701 -2.080 13.300 1.00 62.21 C ATOM 11 CG GLN A 2 -26.236 -0.820 12.584 1.00 66.04 C ATOM 12 CD GLN A 2 -25.336 -1.138 11.407 1.00 68.03 C ATOM 13 OE1 GLN A 2 -24.391 -1.921 11.528 1.00 69.94 O ATOM 14 NE2 GLN A 2 -25.619 -0.529 10.262 1.00 69.04 N ATOM 0 H GLN A 2 -28.848 -0.828 13.686 1.00 60.79 H new ATOM 0 HA GLN A 2 -27.474 -2.719 15.062 1.00 58.53 H new ATOM 0 HB2 GLN A 2 -25.928 -2.642 13.467 1.00 62.21 H new ATOM 0 HB3 GLN A 2 -27.287 -2.573 12.705 1.00 62.21 H new ATOM 0 HG2 GLN A 2 -27.008 -0.321 12.275 1.00 66.04 H new ATOM 0 HG3 GLN A 2 -25.761 -0.250 13.209 1.00 66.04 H new ATOM 0 HE21 GLN A 2 -26.287 0.011 10.216 1.00 69.04 H new ATOM 0 HE22 GLN A 2 -25.135 -0.674 9.566 1.00 69.04 H new ATOM 15 N GLU A 3 -25.429 -0.608 15.229 1.00 52.35 N ATOM 16 CA GLU A 3 -24.704 0.388 15.991 1.00 50.50 C ATOM 17 C GLU A 3 -25.120 1.770 15.505 1.00 49.27 C ATOM 18 O GLU A 3 -25.823 1.906 14.500 1.00 46.82 O ATOM 19 CB GLU A 3 -23.193 0.189 15.840 1.00 52.96 C ATOM 20 CG GLU A 3 -22.758 -0.317 14.486 1.00 54.97 C ATOM 21 CD GLU A 3 -21.289 -0.703 14.461 1.00 56.91 C ATOM 22 OE1 GLU A 3 -20.904 -1.498 13.579 1.00 57.90 O ATOM 23 OE2 GLU A 3 -20.520 -0.207 15.315 1.00 56.09 O ATOM 0 H GLU A 3 -24.969 -1.024 14.634 1.00 52.35 H new ATOM 0 HA GLU A 3 -24.917 0.298 16.933 1.00 50.50 H new ATOM 0 HB2 GLU A 3 -22.748 1.033 16.015 1.00 52.96 H new ATOM 0 HB3 GLU A 3 -22.892 -0.436 16.518 1.00 52.96 H new ATOM 0 HG2 GLU A 3 -23.297 -1.086 14.242 1.00 54.97 H new ATOM 0 HG3 GLU A 3 -22.922 0.368 13.819 1.00 54.97 H new ATOM 24 N GLU A 4 -24.698 2.792 16.235 1.00 47.63 N ATOM 25 CA GLU A 4 -25.029 4.163 15.886 1.00 47.10 C ATOM 26 C GLU A 4 -23.792 4.837 15.302 1.00 49.00 C ATOM 27 O GLU A 4 -22.671 4.357 15.479 1.00 46.95 O ATOM 28 CB GLU A 4 -25.509 4.903 17.134 1.00 45.40 C ATOM 29 CG GLU A 4 -26.711 4.220 17.825 1.00 40.26 C ATOM 30 CD GLU A 4 -28.041 4.561 17.178 1.00 38.89 C ATOM 31 OE1 GLU A 4 -28.997 3.772 17.327 1.00 37.42 O ATOM 32 OE2 GLU A 4 -28.134 5.625 16.534 1.00 35.43 O ATOM 0 H GLU A 4 -24.215 2.711 16.942 1.00 47.63 H new ATOM 0 HA GLU A 4 -25.739 4.180 15.226 1.00 47.10 H new ATOM 0 HB2 GLU A 4 -24.776 4.969 17.765 1.00 45.40 H new ATOM 0 HB3 GLU A 4 -25.756 5.809 16.890 1.00 45.40 H new ATOM 0 HG2 GLU A 4 -26.585 3.258 17.806 1.00 40.26 H new ATOM 0 HG3 GLU A 4 -26.734 4.484 18.758 1.00 40.26 H new ATOM 33 N GLU A 5 -24.008 5.948 14.608 1.00 52.09 N ATOM 34 CA GLU A 5 -22.927 6.697 13.982 1.00 57.54 C ATOM 35 C GLU A 5 -21.870 7.131 14.990 1.00 60.30 C ATOM 36 O GLU A 5 -22.182 7.447 16.138 1.00 61.96 O ATOM 37 CB GLU A 5 -23.488 7.929 13.275 1.00 58.83 C ATOM 38 CG GLU A 5 -22.518 8.554 12.305 1.00 63.70 C ATOM 39 CD GLU A 5 -22.159 7.611 11.174 1.00 65.63 C ATOM 40 OE1 GLU A 5 -21.270 7.959 10.370 1.00 67.66 O ATOM 41 OE2 GLU A 5 -22.770 6.523 11.086 1.00 67.82 O ATOM 0 H GLU A 5 -24.788 6.289 14.487 1.00 52.09 H new ATOM 0 HA GLU A 5 -22.502 6.107 13.340 1.00 57.54 H new ATOM 0 HB2 GLU A 5 -24.296 7.681 12.800 1.00 58.83 H new ATOM 0 HB3 GLU A 5 -23.741 8.588 13.940 1.00 58.83 H new ATOM 0 HG2 GLU A 5 -22.905 9.364 11.939 1.00 63.70 H new ATOM 0 HG3 GLU A 5 -21.711 8.813 12.777 1.00 63.70 H new ATOM 42 N ALA A 6 -20.618 7.153 14.548 1.00 63.64 N ATOM 43 CA ALA A 6 -19.508 7.545 15.407 1.00 66.31 C ATOM 44 C ALA A 6 -19.017 8.953 15.084 1.00 68.14 C ATOM 45 O ALA A 6 -18.647 9.241 13.947 1.00 68.66 O ATOM 46 CB ALA A 6 -18.365 6.549 15.257 1.00 65.91 C ATOM 0 H ALA A 6 -20.389 6.942 13.746 1.00 63.64 H new ATOM 0 HA ALA A 6 -19.824 7.545 16.324 1.00 66.31 H new ATOM 0 HB1 ALA A 6 -17.628 6.813 15.830 1.00 65.91 H new ATOM 0 HB2 ALA A 6 -18.671 5.664 15.511 1.00 65.91 H new ATOM 0 HB3 ALA A 6 -18.067 6.535 14.334 1.00 65.91 H new ATOM 47 N GLU A 7 -19.024 9.827 16.087 1.00 70.23 N ATOM 48 CA GLU A 7 -18.557 11.201 15.917 1.00 72.50 C ATOM 49 C GLU A 7 -17.045 11.098 15.746 1.00 72.95 C ATOM 50 O GLU A 7 -16.322 10.841 16.708 1.00 73.81 O ATOM 51 CB GLU A 7 -18.884 12.032 17.162 1.00 74.02 C ATOM 52 CG GLU A 7 -18.648 13.556 17.012 1.00 75.37 C ATOM 53 CD GLU A 7 -19.932 14.326 16.743 1.00 76.16 C ATOM 54 OE1 GLU A 7 -20.079 14.888 15.636 1.00 74.59 O ATOM 55 OE2 GLU A 7 -20.796 14.366 17.646 1.00 77.37 O ATOM 0 H GLU A 7 -19.298 9.642 16.881 1.00 70.23 H new ATOM 0 HA GLU A 7 -18.982 11.633 15.159 1.00 72.50 H new ATOM 0 HB2 GLU A 7 -19.813 11.884 17.398 1.00 74.02 H new ATOM 0 HB3 GLU A 7 -18.348 11.706 17.902 1.00 74.02 H new ATOM 0 HG2 GLU A 7 -18.235 13.896 17.821 1.00 75.37 H new ATOM 0 HG3 GLU A 7 -18.023 13.713 16.287 1.00 75.37 H new ATOM 56 N GLN A 8 -16.571 11.299 14.521 1.00 72.84 N ATOM 57 CA GLN A 8 -15.149 11.179 14.229 1.00 72.48 C ATOM 58 C GLN A 8 -14.392 12.470 13.926 1.00 71.08 C ATOM 59 O GLN A 8 -14.661 13.144 12.931 1.00 71.23 O ATOM 60 CB GLN A 8 -14.956 10.214 13.057 1.00 74.25 C ATOM 61 CG GLN A 8 -13.531 10.180 12.495 1.00 76.25 C ATOM 62 CD GLN A 8 -13.509 9.994 10.990 1.00 76.88 C ATOM 63 OE1 GLN A 8 -14.689 9.857 10.395 1.00 77.54 O flip ATOM 64 NE2 GLN A 8 -12.446 9.978 10.369 1.00 77.29 N flip ATOM 0 H GLN A 8 -17.058 11.506 13.844 1.00 72.84 H new ATOM 0 HA GLN A 8 -14.764 10.856 15.059 1.00 72.48 H new ATOM 0 HB2 GLN A 8 -15.200 9.320 13.344 1.00 74.25 H new ATOM 0 HB3 GLN A 8 -15.567 10.460 12.345 1.00 74.25 H new ATOM 0 HG2 GLN A 8 -13.076 11.006 12.723 1.00 76.25 H new ATOM 0 HG3 GLN A 8 -13.037 9.458 12.915 1.00 76.25 H new ATOM 0 HE21 GLN A 8 -11.701 10.070 10.789 1.00 77.29 H new ATOM 0 HE22 GLN A 8 -12.448 9.875 9.515 1.00 77.29 H new ATOM 65 N ASN A 9 -13.436 12.797 14.790 1.00 68.36 N ATOM 66 CA ASN A 9 -12.590 13.971 14.609 1.00 66.18 C ATOM 67 C ASN A 9 -11.138 13.532 14.763 1.00 63.72 C ATOM 68 O ASN A 9 -10.560 13.621 15.846 1.00 64.40 O ATOM 69 CB ASN A 9 -12.917 15.061 15.634 1.00 67.40 C ATOM 70 CG ASN A 9 -13.835 16.132 15.073 1.00 68.53 C ATOM 71 OD1 ASN A 9 -14.479 15.833 13.949 0.10 68.61 O flip ATOM 72 ND2 ASN A 9 -13.966 17.214 15.644 1.00 69.58 N flip ATOM 0 H ASN A 9 -13.260 12.343 15.499 1.00 68.36 H new ATOM 0 HA ASN A 9 -12.746 14.346 13.728 1.00 66.18 H new ATOM 0 HB2 ASN A 9 -13.335 14.656 16.410 1.00 67.40 H new ATOM 0 HB3 ASN A 9 -12.093 15.473 15.938 1.00 67.40 H new ATOM 0 HD21 ASN A 9 -13.533 17.372 16.370 1.00 69.58 H new ATOM 0 HD22 ASN A 9 -14.491 17.812 15.317 1.00 69.58 H new ATOM 73 N LEU A 10 -10.561 13.049 13.668 1.00 60.34 N ATOM 74 CA LEU A 10 -9.183 12.574 13.654 1.00 57.52 C ATOM 75 C LEU A 10 -8.251 13.540 12.933 1.00 54.72 C ATOM 76 O LEU A 10 -7.044 13.312 12.857 1.00 53.87 O ATOM 77 CB LEU A 10 -9.121 11.201 12.977 1.00 58.80 C ATOM 78 CG LEU A 10 -9.367 9.951 13.830 1.00 60.45 C ATOM 79 CD1 LEU A 10 -10.445 10.206 14.862 1.00 61.79 C ATOM 80 CD2 LEU A 10 -9.743 8.794 12.919 1.00 60.15 C ATOM 0 H LEU A 10 -10.960 12.987 12.909 1.00 60.34 H new ATOM 0 HA LEU A 10 -8.885 12.509 14.575 1.00 57.52 H new ATOM 0 HB2 LEU A 10 -9.770 11.198 12.256 1.00 58.80 H new ATOM 0 HB3 LEU A 10 -8.245 11.112 12.570 1.00 58.80 H new ATOM 0 HG LEU A 10 -8.556 9.725 14.311 1.00 60.45 H new ATOM 0 HD11 LEU A 10 -10.584 9.404 15.390 1.00 61.79 H new ATOM 0 HD12 LEU A 10 -10.171 10.932 15.444 1.00 61.79 H new ATOM 0 HD13 LEU A 10 -11.271 10.446 14.414 1.00 61.79 H new ATOM 0 HD21 LEU A 10 -9.900 7.999 13.453 1.00 60.15 H new ATOM 0 HD22 LEU A 10 -10.549 9.017 12.428 1.00 60.15 H new ATOM 0 HD23 LEU A 10 -9.020 8.626 12.294 1.00 60.15 H new ATOM 81 N SER A 11 -8.819 14.620 12.411 1.00 52.58 N ATOM 82 CA SER A 11 -8.053 15.622 11.681 1.00 50.20 C ATOM 83 C SER A 11 -6.790 16.103 12.390 1.00 48.53 C ATOM 84 O SER A 11 -5.741 16.250 11.766 1.00 47.84 O ATOM 85 CB SER A 11 -8.942 16.827 11.369 1.00 50.91 C ATOM 86 OG SER A 11 -8.206 17.839 10.708 1.00 54.22 O ATOM 0 H SER A 11 -9.659 14.793 12.470 1.00 52.58 H new ATOM 0 HA SER A 11 -7.756 15.180 10.870 1.00 50.20 H new ATOM 0 HB2 SER A 11 -9.687 16.549 10.814 1.00 50.91 H new ATOM 0 HB3 SER A 11 -9.317 17.179 12.192 1.00 50.91 H new ATOM 0 HG SER A 11 -8.710 18.491 10.544 1.00 54.22 H new ATOM 87 N GLU A 12 -6.877 16.344 13.692 1.00 46.63 N ATOM 88 CA GLU A 12 -5.715 16.836 14.413 1.00 46.38 C ATOM 89 C GLU A 12 -4.625 15.808 14.687 1.00 45.66 C ATOM 90 O GLU A 12 -3.540 16.162 15.144 1.00 46.51 O ATOM 91 CB GLU A 12 -6.149 17.518 15.710 1.00 47.52 C ATOM 92 CG GLU A 12 -6.838 18.867 15.457 0.10 47.35 C ATOM 93 CD GLU A 12 -6.039 19.755 14.514 0.10 47.56 C ATOM 94 OE1 GLU A 12 -4.914 20.157 14.878 0.10 47.48 O ATOM 95 OE2 GLU A 12 -6.533 20.045 13.404 0.10 47.29 O ATOM 0 H GLU A 12 -7.585 16.232 14.168 1.00 46.63 H new ATOM 0 HA GLU A 12 -5.300 17.475 13.813 1.00 46.38 H new ATOM 0 HB2 GLU A 12 -6.754 16.934 16.193 1.00 47.52 H new ATOM 0 HB3 GLU A 12 -5.373 17.654 16.276 1.00 47.52 H new ATOM 0 HG2 GLU A 12 -7.720 18.713 15.083 0.10 47.35 H new ATOM 0 HG3 GLU A 12 -6.964 19.327 16.302 0.10 47.35 H new ATOM 96 N LEU A 13 -4.898 14.539 14.400 1.00 44.23 N ATOM 97 CA LEU A 13 -3.890 13.508 14.610 1.00 42.25 C ATOM 98 C LEU A 13 -2.921 13.497 13.434 1.00 39.37 C ATOM 99 O LEU A 13 -1.924 12.776 13.449 1.00 36.13 O ATOM 100 CB LEU A 13 -4.539 12.129 14.768 1.00 44.71 C ATOM 101 CG LEU A 13 -5.212 11.856 16.115 1.00 46.89 C ATOM 102 CD1 LEU A 13 -6.512 12.635 16.214 1.00 50.05 C ATOM 103 CD2 LEU A 13 -5.479 10.365 16.259 1.00 49.59 C ATOM 0 H LEU A 13 -5.648 14.258 14.088 1.00 44.23 H new ATOM 0 HA LEU A 13 -3.408 13.709 15.427 1.00 42.25 H new ATOM 0 HB2 LEU A 13 -5.201 12.020 14.068 1.00 44.71 H new ATOM 0 HB3 LEU A 13 -3.859 11.452 14.623 1.00 44.71 H new ATOM 0 HG LEU A 13 -4.624 12.143 16.831 1.00 46.89 H new ATOM 0 HD11 LEU A 13 -6.932 12.457 17.070 1.00 50.05 H new ATOM 0 HD12 LEU A 13 -6.327 13.584 16.136 1.00 50.05 H new ATOM 0 HD13 LEU A 13 -7.108 12.362 15.499 1.00 50.05 H new ATOM 0 HD21 LEU A 13 -5.906 10.193 17.113 1.00 49.59 H new ATOM 0 HD22 LEU A 13 -6.062 10.070 15.542 1.00 49.59 H new ATOM 0 HD23 LEU A 13 -4.640 9.880 16.214 1.00 49.59 H new ATOM 104 N SER A 14 -3.218 14.308 12.420 1.00 36.53 N ATOM 105 CA SER A 14 -2.368 14.399 11.233 1.00 35.97 C ATOM 106 C SER A 14 -0.986 14.917 11.606 1.00 35.24 C ATOM 107 O SER A 14 -0.842 15.745 12.511 1.00 34.59 O ATOM 108 CB SER A 14 -2.982 15.346 10.200 1.00 36.73 C ATOM 109 OG SER A 14 -4.286 14.934 9.833 1.00 38.00 O ATOM 0 H SER A 14 -3.911 14.817 12.400 1.00 36.53 H new ATOM 0 HA SER A 14 -2.294 13.509 10.855 1.00 35.97 H new ATOM 0 HB2 SER A 14 -3.015 16.245 10.562 1.00 36.73 H new ATOM 0 HB3 SER A 14 -2.417 15.378 9.412 1.00 36.73 H new ATOM 0 HG SER A 14 -4.846 15.274 10.359 1.00 38.00 H new ATOM 110 N GLY A 15 0.026 14.435 10.897 1.00 33.51 N ATOM 111 CA GLY A 15 1.379 14.873 11.163 1.00 33.61 C ATOM 112 C GLY A 15 2.393 13.770 10.962 1.00 32.07 C ATOM 113 O GLY A 15 2.098 12.753 10.338 1.00 32.32 O ATOM 0 H GLY A 15 -0.052 13.859 10.264 1.00 33.51 H new ATOM 0 HA2 GLY A 15 1.595 15.618 10.580 1.00 33.61 H new ATOM 0 HA3 GLY A 15 1.437 15.200 12.074 1.00 33.61 H new ATOM 114 N PRO A 16 3.616 13.949 11.476 1.00 32.08 N ATOM 115 CA PRO A 16 4.655 12.927 11.325 1.00 29.91 C ATOM 116 C PRO A 16 4.441 11.720 12.247 1.00 31.35 C ATOM 117 O PRO A 16 4.232 11.870 13.450 1.00 31.87 O ATOM 118 CB PRO A 16 5.941 13.698 11.631 1.00 31.46 C ATOM 119 CG PRO A 16 5.486 14.724 12.631 1.00 32.68 C ATOM 120 CD PRO A 16 4.152 15.181 12.085 1.00 33.31 C ATOM 0 HA PRO A 16 4.663 12.523 10.443 1.00 29.91 H new ATOM 0 HB2 PRO A 16 6.629 13.120 11.996 1.00 31.46 H new ATOM 0 HB3 PRO A 16 6.311 14.111 10.835 1.00 31.46 H new ATOM 0 HG2 PRO A 16 5.397 14.343 13.519 1.00 32.68 H new ATOM 0 HG3 PRO A 16 6.115 15.459 12.700 1.00 32.68 H new ATOM 0 HD2 PRO A 16 3.572 15.519 12.785 1.00 33.31 H new ATOM 0 HD3 PRO A 16 4.253 15.892 11.433 1.00 33.31 H new ATOM 121 N TRP A 17 4.465 10.526 11.663 1.00 28.98 N ATOM 122 CA TRP A 17 4.296 9.283 12.414 1.00 29.03 C ATOM 123 C TRP A 17 5.436 8.347 12.042 1.00 29.10 C ATOM 124 O TRP A 17 6.001 8.454 10.950 1.00 31.03 O ATOM 125 CB TRP A 17 2.968 8.589 12.067 1.00 28.87 C ATOM 126 CG TRP A 17 1.749 9.241 12.633 1.00 29.37 C ATOM 127 CD1 TRP A 17 1.158 10.396 12.201 1.00 28.49 C ATOM 128 CD2 TRP A 17 0.975 8.788 13.748 1.00 28.28 C ATOM 129 NE1 TRP A 17 0.064 10.690 12.983 1.00 30.43 N ATOM 130 CE2 TRP A 17 -0.071 9.716 13.945 1.00 28.71 C ATOM 131 CE3 TRP A 17 1.067 7.687 14.613 1.00 28.76 C ATOM 132 CZ2 TRP A 17 -1.025 9.581 14.959 1.00 31.37 C ATOM 133 CZ3 TRP A 17 0.122 7.549 15.626 1.00 31.95 C ATOM 134 CH2 TRP A 17 -0.908 8.493 15.790 1.00 32.04 C ATOM 0 H TRP A 17 4.580 10.412 10.818 1.00 28.98 H new ATOM 0 HA TRP A 17 4.294 9.491 13.361 1.00 29.03 H new ATOM 0 HB2 TRP A 17 2.880 8.552 11.102 1.00 28.87 H new ATOM 0 HB3 TRP A 17 3.005 7.673 12.383 1.00 28.87 H new ATOM 0 HD1 TRP A 17 1.452 10.909 11.483 1.00 28.49 H new ATOM 0 HE1 TRP A 17 -0.451 11.372 12.886 1.00 30.43 H new ATOM 0 HE3 TRP A 17 1.747 7.061 14.511 1.00 28.76 H new ATOM 0 HZ2 TRP A 17 -1.710 10.201 15.066 1.00 31.37 H new ATOM 0 HZ3 TRP A 17 0.172 6.822 16.203 1.00 31.95 H new ATOM 0 HH2 TRP A 17 -1.524 8.378 16.477 1.00 32.04 H new ATOM 135 N ARG A 18 5.763 7.429 12.948 1.00 27.54 N ATOM 136 CA ARG A 18 6.834 6.469 12.717 1.00 27.94 C ATOM 137 C ARG A 18 6.387 5.059 13.075 1.00 27.22 C ATOM 138 O ARG A 18 5.574 4.856 13.972 1.00 27.24 O ATOM 139 CB ARG A 18 8.073 6.829 13.554 1.00 28.24 C ATOM 140 CG ARG A 18 8.720 8.175 13.206 1.00 29.00 C ATOM 141 CD ARG A 18 9.389 8.148 11.830 1.00 30.06 C ATOM 142 NE ARG A 18 10.035 9.420 11.513 1.00 32.84 N ATOM 143 CZ ARG A 18 9.426 10.467 10.963 1.00 32.59 C ATOM 144 NH1 ARG A 18 8.137 10.412 10.652 1.00 33.40 N ATOM 145 NH2 ARG A 18 10.114 11.576 10.720 1.00 32.76 N ATOM 0 H ARG A 18 5.372 7.347 13.709 1.00 27.54 H new ATOM 0 HA ARG A 18 7.059 6.503 11.774 1.00 27.94 H new ATOM 0 HB2 ARG A 18 7.822 6.838 14.491 1.00 28.24 H new ATOM 0 HB3 ARG A 18 8.735 6.129 13.445 1.00 28.24 H new ATOM 0 HG2 ARG A 18 8.045 8.872 13.224 1.00 29.00 H new ATOM 0 HG3 ARG A 18 9.379 8.401 13.881 1.00 29.00 H new ATOM 0 HD2 ARG A 18 10.047 7.436 11.805 1.00 30.06 H new ATOM 0 HD3 ARG A 18 8.726 7.945 11.152 1.00 30.06 H new ATOM 0 HE ARG A 18 10.872 9.497 11.696 1.00 32.84 H new ATOM 0 HH11 ARG A 18 7.688 9.695 10.806 1.00 33.40 H new ATOM 0 HH12 ARG A 18 7.751 11.093 10.297 1.00 33.40 H new ATOM 0 HH21 ARG A 18 10.950 11.615 10.918 1.00 32.76 H new ATOM 0 HH22 ARG A 18 9.724 12.255 10.365 1.00 32.76 H new ATOM 146 N THR A 19 6.931 4.080 12.361 1.00 26.41 N ATOM 147 CA THR A 19 6.615 2.685 12.615 1.00 26.79 C ATOM 148 C THR A 19 7.441 2.173 13.787 1.00 26.96 C ATOM 149 O THR A 19 8.645 2.437 13.859 1.00 28.21 O ATOM 150 CB THR A 19 6.966 1.823 11.394 1.00 26.37 C ATOM 151 OG1 THR A 19 6.340 2.385 10.238 1.00 27.78 O ATOM 152 CG2 THR A 19 6.481 0.373 11.589 1.00 27.50 C ATOM 0 H THR A 19 7.490 4.207 11.720 1.00 26.41 H new ATOM 0 HA THR A 19 5.666 2.625 12.807 1.00 26.79 H new ATOM 0 HB THR A 19 7.930 1.809 11.283 1.00 26.37 H new ATOM 0 HG1 THR A 19 5.529 2.529 10.401 1.00 27.78 H new ATOM 0 HG21 THR A 19 6.712 -0.154 10.808 1.00 27.50 H new ATOM 0 HG22 THR A 19 6.907 -0.008 12.373 1.00 27.50 H new ATOM 0 HG23 THR A 19 5.518 0.367 11.709 1.00 27.50 H new ATOM 153 N VAL A 20 6.799 1.452 14.703 1.00 27.15 N ATOM 154 CA VAL A 20 7.509 0.866 15.837 1.00 26.98 C ATOM 155 C VAL A 20 7.604 -0.640 15.582 1.00 27.70 C ATOM 156 O VAL A 20 8.696 -1.195 15.527 1.00 27.53 O ATOM 157 CB VAL A 20 6.777 1.106 17.168 1.00 27.92 C ATOM 158 CG1 VAL A 20 7.559 0.455 18.305 1.00 30.55 C ATOM 159 CG2 VAL A 20 6.618 2.612 17.414 1.00 28.46 C ATOM 0 H VAL A 20 5.954 1.291 14.686 1.00 27.15 H new ATOM 0 HA VAL A 20 8.383 1.280 15.912 1.00 26.98 H new ATOM 0 HB VAL A 20 5.893 0.708 17.128 1.00 27.92 H new ATOM 0 HG11 VAL A 20 7.097 0.607 19.144 1.00 30.55 H new ATOM 0 HG12 VAL A 20 7.631 -0.499 18.144 1.00 30.55 H new ATOM 0 HG13 VAL A 20 8.447 0.843 18.351 1.00 30.55 H new ATOM 0 HG21 VAL A 20 6.156 2.756 18.255 1.00 28.46 H new ATOM 0 HG22 VAL A 20 7.493 3.028 17.452 1.00 28.46 H new ATOM 0 HG23 VAL A 20 6.104 3.006 16.692 1.00 28.46 H new ATOM 160 N TYR A 21 6.454 -1.295 15.417 1.00 26.91 N ATOM 161 CA TYR A 21 6.414 -2.734 15.142 1.00 27.36 C ATOM 162 C TYR A 21 5.379 -3.074 14.078 1.00 26.98 C ATOM 163 O TYR A 21 4.348 -2.413 13.967 1.00 26.73 O ATOM 164 CB TYR A 21 5.983 -3.559 16.367 1.00 29.40 C ATOM 165 CG TYR A 21 6.975 -3.730 17.491 1.00 30.95 C ATOM 166 CD1 TYR A 21 6.760 -3.124 18.731 1.00 34.05 C ATOM 167 CD2 TYR A 21 8.078 -4.567 17.348 1.00 32.77 C ATOM 168 CE1 TYR A 21 7.620 -3.361 19.804 1.00 34.99 C ATOM 169 CE2 TYR A 21 8.946 -4.810 18.411 1.00 34.70 C ATOM 170 CZ TYR A 21 8.708 -4.207 19.636 1.00 37.24 C ATOM 171 OH TYR A 21 9.548 -4.473 20.697 1.00 40.17 O ATOM 0 H TYR A 21 5.680 -0.922 15.461 1.00 26.91 H new ATOM 0 HA TYR A 21 7.318 -2.950 14.865 1.00 27.36 H new ATOM 0 HB2 TYR A 21 5.185 -3.149 16.735 1.00 29.40 H new ATOM 0 HB3 TYR A 21 5.731 -4.443 16.056 1.00 29.40 H new ATOM 0 HD1 TYR A 21 6.033 -2.554 18.843 1.00 34.05 H new ATOM 0 HD2 TYR A 21 8.239 -4.972 16.527 1.00 32.77 H new ATOM 0 HE1 TYR A 21 7.465 -2.955 20.626 1.00 34.99 H new ATOM 0 HE2 TYR A 21 9.679 -5.372 18.299 1.00 34.70 H new ATOM 0 HH TYR A 21 10.156 -4.997 20.449 1.00 40.17 H new ATOM 172 N ILE A 22 5.671 -4.112 13.302 1.00 26.93 N ATOM 173 CA ILE A 22 4.716 -4.649 12.338 1.00 28.37 C ATOM 174 C ILE A 22 4.872 -6.167 12.438 1.00 28.91 C ATOM 175 O ILE A 22 5.990 -6.684 12.386 1.00 29.53 O ATOM 176 CB ILE A 22 4.976 -4.207 10.882 1.00 30.10 C ATOM 177 CG1 ILE A 22 4.725 -2.703 10.736 1.00 30.32 C ATOM 178 CG2 ILE A 22 4.034 -4.971 9.938 1.00 30.46 C ATOM 179 CD1 ILE A 22 4.851 -2.192 9.316 1.00 32.24 C ATOM 0 H ILE A 22 6.426 -4.524 13.319 1.00 26.93 H new ATOM 0 HA ILE A 22 3.826 -4.324 12.547 1.00 28.37 H new ATOM 0 HB ILE A 22 5.899 -4.401 10.654 1.00 30.10 H new ATOM 0 HG12 ILE A 22 3.836 -2.500 11.065 1.00 30.32 H new ATOM 0 HG13 ILE A 22 5.353 -2.224 11.299 1.00 30.32 H new ATOM 0 HG21 ILE A 22 4.197 -4.693 9.023 1.00 30.46 H new ATOM 0 HG22 ILE A 22 4.196 -5.924 10.020 1.00 30.46 H new ATOM 0 HG23 ILE A 22 3.113 -4.779 10.174 1.00 30.46 H new ATOM 0 HD11 ILE A 22 4.680 -1.237 9.299 1.00 32.24 H new ATOM 0 HD12 ILE A 22 5.747 -2.365 8.988 1.00 32.24 H new ATOM 0 HD13 ILE A 22 4.207 -2.646 8.750 1.00 32.24 H new ATOM 180 N GLY A 23 3.752 -6.863 12.628 1.00 27.93 N ATOM 181 CA GLY A 23 3.759 -8.315 12.715 1.00 29.96 C ATOM 182 C GLY A 23 3.001 -8.870 11.518 1.00 30.92 C ATOM 183 O GLY A 23 2.172 -8.168 10.942 1.00 29.97 O ATOM 0 H GLY A 23 2.974 -6.506 12.709 1.00 27.93 H new ATOM 0 HA2 GLY A 23 4.670 -8.649 12.722 1.00 29.96 H new ATOM 0 HA3 GLY A 23 3.344 -8.606 13.542 1.00 29.96 H new ATOM 184 N SER A 24 3.259 -10.119 11.139 1.00 30.84 N ATOM 185 CA SER A 24 2.575 -10.687 9.980 1.00 31.09 C ATOM 186 C SER A 24 2.387 -12.202 10.044 1.00 32.26 C ATOM 187 O SER A 24 3.257 -12.923 10.536 1.00 32.42 O ATOM 188 CB SER A 24 3.356 -10.327 8.711 1.00 31.70 C ATOM 189 OG SER A 24 2.709 -10.801 7.546 1.00 32.22 O ATOM 0 H SER A 24 3.815 -10.646 11.530 1.00 30.84 H new ATOM 0 HA SER A 24 1.684 -10.304 9.972 1.00 31.09 H new ATOM 0 HB2 SER A 24 3.458 -9.364 8.656 1.00 31.70 H new ATOM 0 HB3 SER A 24 4.248 -10.704 8.762 1.00 31.70 H new ATOM 0 HG SER A 24 3.236 -11.291 7.112 1.00 32.22 H new ATOM 190 N THR A 25 1.246 -12.682 9.550 1.00 33.00 N ATOM 191 CA THR A 25 0.981 -14.121 9.538 1.00 35.42 C ATOM 192 C THR A 25 1.856 -14.772 8.466 1.00 37.38 C ATOM 193 O THR A 25 2.061 -15.987 8.468 1.00 38.62 O ATOM 194 CB THR A 25 -0.505 -14.437 9.242 1.00 34.66 C ATOM 195 OG1 THR A 25 -0.912 -13.778 8.036 1.00 34.48 O ATOM 196 CG2 THR A 25 -1.389 -13.981 10.398 1.00 33.67 C ATOM 0 H THR A 25 0.618 -12.197 9.220 1.00 33.00 H new ATOM 0 HA THR A 25 1.187 -14.473 10.418 1.00 35.42 H new ATOM 0 HB THR A 25 -0.601 -15.396 9.135 1.00 34.66 H new ATOM 0 HG1 THR A 25 -1.599 -14.152 7.730 1.00 34.48 H new ATOM 0 HG21 THR A 25 -2.316 -14.186 10.197 1.00 33.67 H new ATOM 0 HG22 THR A 25 -1.125 -14.442 11.209 1.00 33.67 H new ATOM 0 HG23 THR A 25 -1.290 -13.024 10.524 1.00 33.67 H new ATOM 197 N ASN A 26 2.363 -13.953 7.551 1.00 37.57 N ATOM 198 CA ASN A 26 3.250 -14.418 6.483 1.00 40.32 C ATOM 199 C ASN A 26 4.547 -13.611 6.602 1.00 40.17 C ATOM 200 O ASN A 26 4.618 -12.470 6.150 1.00 39.72 O ATOM 201 CB ASN A 26 2.623 -14.162 5.111 1.00 42.17 C ATOM 202 CG ASN A 26 3.433 -14.772 3.981 1.00 45.24 C ATOM 203 OD1 ASN A 26 4.666 -14.818 4.034 1.00 46.57 O ATOM 204 ND2 ASN A 26 2.744 -15.235 2.942 1.00 45.31 N ATOM 0 H ASN A 26 2.203 -13.108 7.530 1.00 37.57 H new ATOM 0 HA ASN A 26 3.409 -15.371 6.567 1.00 40.32 H new ATOM 0 HB2 ASN A 26 1.725 -14.528 5.096 1.00 42.17 H new ATOM 0 HB3 ASN A 26 2.543 -13.206 4.968 1.00 42.17 H new ATOM 0 HD21 ASN A 26 3.157 -15.583 2.273 1.00 45.31 H new ATOM 0 HD22 ASN A 26 1.885 -15.186 2.939 1.00 45.31 H new ATOM 205 N PRO A 27 5.598 -14.202 7.193 1.00 42.08 N ATOM 206 CA PRO A 27 6.875 -13.498 7.360 1.00 43.55 C ATOM 207 C PRO A 27 7.495 -12.887 6.102 1.00 44.47 C ATOM 208 O PRO A 27 8.130 -11.838 6.171 1.00 44.42 O ATOM 209 CB PRO A 27 7.771 -14.557 8.010 1.00 44.62 C ATOM 210 CG PRO A 27 7.222 -15.840 7.474 1.00 44.70 C ATOM 211 CD PRO A 27 5.730 -15.623 7.565 1.00 43.50 C ATOM 0 HA PRO A 27 6.750 -12.696 7.892 1.00 43.55 H new ATOM 0 HB2 PRO A 27 8.703 -14.436 7.768 1.00 44.62 H new ATOM 0 HB3 PRO A 27 7.723 -14.523 8.978 1.00 44.62 H new ATOM 0 HG2 PRO A 27 7.508 -16.002 6.561 1.00 44.70 H new ATOM 0 HG3 PRO A 27 7.508 -16.603 8.000 1.00 44.70 H new ATOM 0 HD2 PRO A 27 5.242 -16.203 6.959 1.00 43.50 H new ATOM 0 HD3 PRO A 27 5.392 -15.797 8.458 1.00 43.50 H new ATOM 212 N GLU A 28 7.300 -13.531 4.958 1.00 45.32 N ATOM 213 CA GLU A 28 7.858 -13.040 3.700 1.00 47.01 C ATOM 214 C GLU A 28 7.463 -11.592 3.397 1.00 45.40 C ATOM 215 O GLU A 28 8.269 -10.809 2.883 1.00 45.37 O ATOM 216 CB GLU A 28 7.407 -13.946 2.549 1.00 50.99 C ATOM 217 CG GLU A 28 8.003 -15.362 2.589 1.00 56.89 C ATOM 218 CD GLU A 28 7.284 -16.326 1.662 1.00 59.82 C ATOM 219 OE1 GLU A 28 6.160 -16.756 2.005 1.00 61.77 O ATOM 220 OE2 GLU A 28 7.835 -16.648 0.588 1.00 62.55 O ATOM 0 H GLU A 28 6.846 -14.258 4.887 1.00 45.32 H new ATOM 0 HA GLU A 28 8.824 -13.059 3.791 1.00 47.01 H new ATOM 0 HB2 GLU A 28 6.439 -14.013 2.564 1.00 50.99 H new ATOM 0 HB3 GLU A 28 7.649 -13.528 1.708 1.00 50.99 H new ATOM 0 HG2 GLU A 28 8.941 -15.321 2.343 1.00 56.89 H new ATOM 0 HG3 GLU A 28 7.962 -15.701 3.497 1.00 56.89 H new ATOM 221 N LYS A 29 6.225 -11.242 3.730 1.00 42.72 N ATOM 222 CA LYS A 29 5.702 -9.904 3.475 1.00 39.82 C ATOM 223 C LYS A 29 6.426 -8.778 4.212 1.00 39.02 C ATOM 224 O LYS A 29 6.413 -7.631 3.756 1.00 37.44 O ATOM 225 CB LYS A 29 4.209 -9.857 3.823 1.00 41.08 C ATOM 226 CG LYS A 29 3.330 -10.840 3.007 1.00 42.78 C ATOM 227 CD LYS A 29 3.312 -10.481 1.511 1.00 42.69 C ATOM 228 CE LYS A 29 2.430 -11.469 0.715 1.00 42.44 C ATOM 229 NZ LYS A 29 2.202 -11.001 -0.679 1.00 41.80 N ATOM 0 H LYS A 29 5.665 -11.773 4.110 1.00 42.72 H new ATOM 0 HA LYS A 29 5.853 -9.744 2.530 1.00 39.82 H new ATOM 0 HB2 LYS A 29 4.102 -10.052 4.767 1.00 41.08 H new ATOM 0 HB3 LYS A 29 3.883 -8.954 3.681 1.00 41.08 H new ATOM 0 HG2 LYS A 29 3.665 -11.743 3.119 1.00 42.78 H new ATOM 0 HG3 LYS A 29 2.424 -10.828 3.354 1.00 42.78 H new ATOM 0 HD2 LYS A 29 2.977 -9.578 1.396 1.00 42.69 H new ATOM 0 HD3 LYS A 29 4.216 -10.495 1.161 1.00 42.69 H new ATOM 0 HE2 LYS A 29 2.854 -12.341 0.699 1.00 42.44 H new ATOM 0 HE3 LYS A 29 1.577 -11.577 1.164 1.00 42.44 H new ATOM 0 HZ1 LYS A 29 1.580 -11.508 -1.064 1.00 41.80 H new ATOM 0 HZ2 LYS A 29 1.929 -10.154 -0.667 1.00 41.80 H new ATOM 0 HZ3 LYS A 29 2.961 -11.061 -1.140 1.00 41.80 H new ATOM 230 N ILE A 30 7.052 -9.082 5.346 1.00 37.51 N ATOM 231 CA ILE A 30 7.747 -8.033 6.088 1.00 37.43 C ATOM 232 C ILE A 30 9.254 -8.220 6.200 1.00 39.34 C ATOM 233 O ILE A 30 9.944 -7.400 6.813 1.00 38.53 O ATOM 234 CB ILE A 30 7.158 -7.843 7.506 1.00 36.89 C ATOM 235 CG1 ILE A 30 7.237 -9.146 8.299 1.00 37.21 C ATOM 236 CG2 ILE A 30 5.724 -7.342 7.393 1.00 34.62 C ATOM 237 CD1 ILE A 30 6.794 -9.011 9.740 1.00 37.15 C ATOM 0 H ILE A 30 7.087 -9.867 5.696 1.00 37.51 H new ATOM 0 HA ILE A 30 7.599 -7.237 5.554 1.00 37.43 H new ATOM 0 HB ILE A 30 7.678 -7.181 7.988 1.00 36.89 H new ATOM 0 HG12 ILE A 30 6.687 -9.815 7.862 1.00 37.21 H new ATOM 0 HG13 ILE A 30 8.150 -9.472 8.279 1.00 37.21 H new ATOM 0 HG21 ILE A 30 5.352 -7.222 8.281 1.00 34.62 H new ATOM 0 HG22 ILE A 30 5.713 -6.495 6.921 1.00 34.62 H new ATOM 0 HG23 ILE A 30 5.192 -7.990 6.905 1.00 34.62 H new ATOM 0 HD11 ILE A 30 6.869 -9.870 10.184 1.00 37.15 H new ATOM 0 HD12 ILE A 30 7.357 -8.364 10.193 1.00 37.15 H new ATOM 0 HD13 ILE A 30 5.872 -8.712 9.769 1.00 37.15 H new ATOM 238 N GLN A 31 9.766 -9.297 5.614 1.00 40.48 N ATOM 239 CA GLN A 31 11.205 -9.540 5.636 1.00 43.83 C ATOM 240 C GLN A 31 11.852 -8.522 4.708 1.00 43.60 C ATOM 241 O GLN A 31 11.158 -7.793 3.995 1.00 42.12 O ATOM 242 CB GLN A 31 11.525 -10.953 5.144 1.00 45.31 C ATOM 243 CG GLN A 31 11.185 -12.062 6.135 1.00 50.26 C ATOM 244 CD GLN A 31 11.241 -13.444 5.510 1.00 52.41 C ATOM 245 OE1 GLN A 31 11.499 -13.499 4.205 1.00 55.09 O flip ATOM 246 NE2 GLN A 31 11.047 -14.450 6.191 1.00 53.86 N flip ATOM 0 H GLN A 31 9.304 -9.894 5.202 1.00 40.48 H new ATOM 0 HA GLN A 31 11.542 -9.456 6.542 1.00 43.83 H new ATOM 0 HB2 GLN A 31 11.041 -11.113 4.319 1.00 45.31 H new ATOM 0 HB3 GLN A 31 12.470 -11.003 4.932 1.00 45.31 H new ATOM 0 HG2 GLN A 31 11.803 -12.024 6.882 1.00 50.26 H new ATOM 0 HG3 GLN A 31 10.297 -11.909 6.493 1.00 50.26 H new ATOM 0 HE21 GLN A 31 10.883 -14.375 7.032 1.00 53.86 H new ATOM 0 HE22 GLN A 31 11.075 -15.228 5.826 1.00 53.86 H new ATOM 247 N GLU A 32 13.178 -8.468 4.716 1.00 44.94 N ATOM 248 CA GLU A 32 13.886 -7.533 3.856 1.00 47.28 C ATOM 249 C GLU A 32 13.366 -7.677 2.431 1.00 47.39 C ATOM 250 O GLU A 32 13.193 -8.789 1.934 1.00 46.51 O ATOM 251 CB GLU A 32 15.390 -7.804 3.911 1.00 50.63 C ATOM 252 CG GLU A 32 15.943 -7.805 5.341 1.00 54.43 C ATOM 253 CD GLU A 32 17.226 -7.012 5.477 1.00 55.98 C ATOM 254 OE1 GLU A 32 17.752 -6.929 6.605 1.00 57.66 O ATOM 255 OE2 GLU A 32 17.705 -6.468 4.459 0.10 56.05 O ATOM 0 H GLU A 32 13.683 -8.961 5.208 1.00 44.94 H new ATOM 0 HA GLU A 32 13.732 -6.625 4.162 1.00 47.28 H new ATOM 0 HB2 GLU A 32 15.575 -8.661 3.497 1.00 50.63 H new ATOM 0 HB3 GLU A 32 15.855 -7.131 3.390 1.00 50.63 H new ATOM 0 HG2 GLU A 32 15.276 -7.437 5.941 1.00 54.43 H new ATOM 0 HG3 GLU A 32 16.103 -8.720 5.621 1.00 54.43 H new ATOM 256 N ASN A 33 13.100 -6.540 1.794 1.00 47.35 N ATOM 257 CA ASN A 33 12.578 -6.493 0.432 1.00 48.29 C ATOM 258 C ASN A 33 11.081 -6.809 0.403 1.00 46.86 C ATOM 259 O ASN A 33 10.464 -6.840 -0.660 1.00 47.37 O ATOM 260 CB ASN A 33 13.328 -7.476 -0.474 1.00 51.57 C ATOM 261 CG ASN A 33 13.724 -6.856 -1.800 1.00 52.98 C ATOM 262 OD1 ASN A 33 14.122 -5.589 -1.764 1.00 56.09 O flip ATOM 263 ND2 ASN A 33 13.687 -7.511 -2.843 1.00 54.41 N flip ATOM 0 H ASN A 33 13.219 -5.764 2.146 1.00 47.35 H new ATOM 0 HA ASN A 33 12.713 -5.591 0.101 1.00 48.29 H new ATOM 0 HB2 ASN A 33 14.124 -7.790 -0.017 1.00 51.57 H new ATOM 0 HB3 ASN A 33 12.769 -8.252 -0.637 1.00 51.57 H new ATOM 0 HD21 ASN A 33 13.424 -8.330 -2.828 1.00 54.41 H new ATOM 0 HD22 ASN A 33 13.925 -7.150 -3.586 1.00 54.41 H new ATOM 264 N GLY A 34 10.500 -7.039 1.576 1.00 44.35 N ATOM 265 CA GLY A 34 9.082 -7.341 1.650 1.00 41.96 C ATOM 266 C GLY A 34 8.238 -6.110 1.374 1.00 40.68 C ATOM 267 O GLY A 34 8.632 -5.005 1.734 1.00 40.10 O ATOM 0 H GLY A 34 10.908 -7.025 2.333 1.00 44.35 H new ATOM 0 HA2 GLY A 34 8.864 -8.035 1.009 1.00 41.96 H new ATOM 0 HA3 GLY A 34 8.870 -7.690 2.530 1.00 41.96 H new ATOM 268 N PRO A 35 7.067 -6.265 0.738 1.00 39.36 N ATOM 269 CA PRO A 35 6.208 -5.116 0.438 1.00 38.97 C ATOM 270 C PRO A 35 5.636 -4.394 1.660 1.00 36.30 C ATOM 271 O PRO A 35 5.295 -3.215 1.583 1.00 37.09 O ATOM 272 CB PRO A 35 5.118 -5.723 -0.449 1.00 40.23 C ATOM 273 CG PRO A 35 5.014 -7.127 0.063 1.00 39.67 C ATOM 274 CD PRO A 35 6.467 -7.514 0.237 1.00 39.56 C ATOM 0 HA PRO A 35 6.710 -4.404 0.012 1.00 38.97 H new ATOM 0 HB2 PRO A 35 4.278 -5.246 -0.364 1.00 40.23 H new ATOM 0 HB3 PRO A 35 5.363 -5.700 -1.387 1.00 40.23 H new ATOM 0 HG2 PRO A 35 4.525 -7.172 0.899 1.00 39.67 H new ATOM 0 HG3 PRO A 35 4.557 -7.708 -0.565 1.00 39.67 H new ATOM 0 HD2 PRO A 35 6.574 -8.245 0.866 1.00 39.56 H new ATOM 0 HD3 PRO A 35 6.868 -7.798 -0.599 1.00 39.56 H new ATOM 275 N PHE A 36 5.518 -5.085 2.788 1.00 34.67 N ATOM 276 CA PHE A 36 4.975 -4.418 3.960 1.00 33.59 C ATOM 277 C PHE A 36 5.981 -4.014 5.031 1.00 33.88 C ATOM 278 O PHE A 36 5.598 -3.744 6.171 1.00 33.80 O ATOM 279 CB PHE A 36 3.849 -5.247 4.574 1.00 35.36 C ATOM 280 CG PHE A 36 2.575 -5.200 3.783 1.00 34.96 C ATOM 281 CD1 PHE A 36 2.376 -6.058 2.705 1.00 36.66 C ATOM 282 CD2 PHE A 36 1.607 -4.243 4.067 1.00 34.97 C ATOM 283 CE1 PHE A 36 1.219 -5.972 1.929 1.00 35.96 C ATOM 284 CE2 PHE A 36 0.450 -4.145 3.300 1.00 37.13 C ATOM 285 CZ PHE A 36 0.260 -5.009 2.220 1.00 37.17 C ATOM 0 H PHE A 36 5.738 -5.910 2.894 1.00 34.67 H new ATOM 0 HA PHE A 36 4.636 -3.576 3.618 1.00 33.59 H new ATOM 0 HB2 PHE A 36 4.140 -6.169 4.651 1.00 35.36 H new ATOM 0 HB3 PHE A 36 3.675 -4.928 5.474 1.00 35.36 H new ATOM 0 HD1 PHE A 36 3.021 -6.696 2.500 1.00 36.66 H new ATOM 0 HD2 PHE A 36 1.735 -3.660 4.780 1.00 34.97 H new ATOM 0 HE1 PHE A 36 1.090 -6.558 1.218 1.00 35.96 H new ATOM 0 HE2 PHE A 36 -0.194 -3.507 3.506 1.00 37.13 H new ATOM 0 HZ PHE A 36 -0.506 -4.940 1.697 1.00 37.17 H new ATOM 286 N ARG A 37 7.261 -3.984 4.674 1.00 33.09 N ATOM 287 CA ARG A 37 8.303 -3.549 5.609 1.00 33.72 C ATOM 288 C ARG A 37 8.315 -2.033 5.411 1.00 32.12 C ATOM 289 O ARG A 37 9.258 -1.459 4.865 1.00 33.04 O ATOM 290 CB ARG A 37 9.652 -4.159 5.225 1.00 37.44 C ATOM 291 CG ARG A 37 10.840 -3.648 6.068 1.00 41.14 C ATOM 292 CD ARG A 37 12.106 -4.471 5.802 1.00 43.57 C ATOM 293 NE ARG A 37 12.048 -5.749 6.497 1.00 48.91 N ATOM 294 CZ ARG A 37 12.773 -6.051 7.568 1.00 47.84 C ATOM 295 NH1 ARG A 37 13.628 -5.168 8.068 1.00 49.50 N ATOM 296 NH2 ARG A 37 12.623 -7.227 8.154 1.00 46.80 N ATOM 0 H ARG A 37 7.550 -4.211 3.896 1.00 33.09 H new ATOM 0 HA ARG A 37 8.141 -3.816 6.527 1.00 33.72 H new ATOM 0 HB2 ARG A 37 9.597 -5.123 5.314 1.00 37.44 H new ATOM 0 HB3 ARG A 37 9.827 -3.970 4.290 1.00 37.44 H new ATOM 0 HG2 ARG A 37 11.009 -2.715 5.861 1.00 41.14 H new ATOM 0 HG3 ARG A 37 10.614 -3.693 7.010 1.00 41.14 H new ATOM 0 HD2 ARG A 37 12.205 -4.621 4.849 1.00 43.57 H new ATOM 0 HD3 ARG A 37 12.887 -3.975 6.094 1.00 43.57 H new ATOM 0 HE ARG A 37 11.509 -6.347 6.194 1.00 48.91 H new ATOM 0 HH11 ARG A 37 13.714 -4.396 7.698 1.00 49.50 H new ATOM 0 HH12 ARG A 37 14.096 -5.367 8.762 1.00 49.50 H new ATOM 0 HH21 ARG A 37 12.057 -7.794 7.841 1.00 46.80 H new ATOM 0 HH22 ARG A 37 13.091 -7.425 8.848 1.00 46.80 H new ATOM 297 N THR A 38 7.249 -1.396 5.883 1.00 29.40 N ATOM 298 CA THR A 38 7.043 0.031 5.694 1.00 29.79 C ATOM 299 C THR A 38 7.417 0.978 6.827 1.00 28.90 C ATOM 300 O THR A 38 6.894 0.874 7.929 1.00 29.12 O ATOM 301 CB THR A 38 5.571 0.292 5.346 1.00 30.53 C ATOM 302 OG1 THR A 38 4.749 -0.152 6.434 1.00 30.61 O ATOM 303 CG2 THR A 38 5.172 -0.479 4.093 1.00 32.38 C ATOM 0 H THR A 38 6.622 -1.784 6.325 1.00 29.40 H new ATOM 0 HA THR A 38 7.670 0.239 4.984 1.00 29.79 H new ATOM 0 HB THR A 38 5.451 1.242 5.189 1.00 30.53 H new ATOM 0 HG1 THR A 38 5.181 -0.098 7.152 1.00 30.61 H new ATOM 0 HG21 THR A 38 4.240 -0.303 3.888 1.00 32.38 H new ATOM 0 HG22 THR A 38 5.726 -0.196 3.349 1.00 32.38 H new ATOM 0 HG23 THR A 38 5.295 -1.429 4.244 1.00 32.38 H new ATOM 304 N TYR A 39 8.315 1.912 6.527 1.00 28.28 N ATOM 305 CA TYR A 39 8.739 2.922 7.489 1.00 29.38 C ATOM 306 C TYR A 39 7.865 4.163 7.285 1.00 28.45 C ATOM 307 O TYR A 39 8.060 4.923 6.342 1.00 29.05 O ATOM 308 CB TYR A 39 10.212 3.286 7.268 1.00 29.24 C ATOM 309 CG TYR A 39 11.178 2.185 7.632 1.00 30.71 C ATOM 310 CD1 TYR A 39 11.734 2.115 8.910 1.00 31.30 C ATOM 311 CD2 TYR A 39 11.511 1.187 6.714 1.00 29.32 C ATOM 312 CE1 TYR A 39 12.597 1.077 9.267 1.00 32.24 C ATOM 313 CE2 TYR A 39 12.374 0.141 7.064 1.00 32.32 C ATOM 314 CZ TYR A 39 12.909 0.097 8.343 1.00 33.82 C ATOM 315 OH TYR A 39 13.750 -0.929 8.707 1.00 35.01 O ATOM 0 H TYR A 39 8.696 1.977 5.759 1.00 28.28 H new ATOM 0 HA TYR A 39 8.643 2.580 8.392 1.00 29.38 H new ATOM 0 HB2 TYR A 39 10.341 3.522 6.336 1.00 29.24 H new ATOM 0 HB3 TYR A 39 10.423 4.075 7.792 1.00 29.24 H new ATOM 0 HD1 TYR A 39 11.526 2.771 9.535 1.00 31.30 H new ATOM 0 HD2 TYR A 39 11.154 1.217 5.856 1.00 29.32 H new ATOM 0 HE1 TYR A 39 12.960 1.045 10.123 1.00 32.24 H new ATOM 0 HE2 TYR A 39 12.587 -0.519 6.444 1.00 32.32 H new ATOM 0 HH TYR A 39 13.685 -1.556 8.151 1.00 35.01 H new ATOM 316 N PHE A 40 6.894 4.357 8.170 1.00 29.21 N ATOM 317 CA PHE A 40 5.994 5.501 8.085 1.00 29.20 C ATOM 318 C PHE A 40 6.712 6.839 8.223 1.00 30.11 C ATOM 319 O PHE A 40 7.722 6.950 8.925 1.00 29.88 O ATOM 320 CB PHE A 40 4.915 5.391 9.164 1.00 29.32 C ATOM 321 CG PHE A 40 3.735 4.539 8.767 1.00 29.28 C ATOM 322 CD1 PHE A 40 3.897 3.449 7.912 1.00 30.17 C ATOM 323 CD2 PHE A 40 2.462 4.821 9.263 1.00 31.53 C ATOM 324 CE1 PHE A 40 2.808 2.646 7.569 1.00 33.87 C ATOM 325 CE2 PHE A 40 1.367 4.021 8.926 1.00 31.52 C ATOM 326 CZ PHE A 40 1.539 2.939 8.073 1.00 32.21 C ATOM 0 H PHE A 40 6.739 3.832 8.833 1.00 29.21 H new ATOM 0 HA PHE A 40 5.597 5.479 7.200 1.00 29.20 H new ATOM 0 HB2 PHE A 40 5.312 5.023 9.969 1.00 29.32 H new ATOM 0 HB3 PHE A 40 4.600 6.281 9.385 1.00 29.32 H new ATOM 0 HD1 PHE A 40 4.739 3.255 7.567 1.00 30.17 H new ATOM 0 HD2 PHE A 40 2.340 5.551 9.826 1.00 31.53 H new ATOM 0 HE1 PHE A 40 2.927 1.916 7.005 1.00 33.87 H new ATOM 0 HE2 PHE A 40 0.525 4.213 9.272 1.00 31.52 H new ATOM 0 HZ PHE A 40 0.811 2.411 7.838 1.00 32.21 H new ATOM 327 N ARG A 41 6.181 7.848 7.541 1.00 30.77 N ATOM 328 CA ARG A 41 6.734 9.193 7.593 1.00 32.43 C ATOM 329 C ARG A 41 5.650 10.181 8.008 1.00 33.25 C ATOM 330 O ARG A 41 5.859 11.008 8.893 1.00 32.15 O ATOM 331 CB ARG A 41 7.278 9.622 6.227 1.00 35.62 C ATOM 332 CG ARG A 41 8.413 8.766 5.666 1.00 42.96 C ATOM 333 CD ARG A 41 9.113 9.514 4.490 1.00 49.28 C ATOM 334 NE ARG A 41 8.165 9.964 3.471 1.00 53.54 N ATOM 335 CZ ARG A 41 7.737 9.215 2.460 1.00 55.50 C ATOM 336 NH1 ARG A 41 6.869 9.706 1.586 0.10 55.75 N ATOM 337 NH2 ARG A 41 8.191 7.979 2.311 1.00 57.86 N ATOM 0 H ARG A 41 5.490 7.771 7.035 1.00 30.77 H new ATOM 0 HA ARG A 41 7.458 9.189 8.238 1.00 32.43 H new ATOM 0 HB2 ARG A 41 6.546 9.617 5.590 1.00 35.62 H new ATOM 0 HB3 ARG A 41 7.589 10.538 6.295 1.00 35.62 H new ATOM 0 HG2 ARG A 41 9.057 8.571 6.365 1.00 42.96 H new ATOM 0 HG3 ARG A 41 8.064 7.915 5.356 1.00 42.96 H new ATOM 0 HD2 ARG A 41 9.596 10.279 4.839 1.00 49.28 H new ATOM 0 HD3 ARG A 41 9.768 8.927 4.081 1.00 49.28 H new ATOM 0 HE ARG A 41 7.864 10.768 3.530 1.00 53.54 H new ATOM 0 HH11 ARG A 41 6.581 10.512 1.672 0.10 55.75 H new ATOM 0 HH12 ARG A 41 6.594 9.219 0.933 0.10 55.75 H new ATOM 0 HH21 ARG A 41 8.763 7.661 2.869 1.00 57.86 H new ATOM 0 HH22 ARG A 41 7.914 7.495 1.657 1.00 57.86 H new ATOM 338 N GLU A 42 4.484 10.084 7.370 1.00 32.66 N ATOM 339 CA GLU A 42 3.396 11.010 7.658 1.00 32.99 C ATOM 340 C GLU A 42 2.014 10.413 7.428 1.00 33.47 C ATOM 341 O GLU A 42 1.836 9.548 6.573 1.00 32.17 O ATOM 342 CB GLU A 42 3.537 12.250 6.776 1.00 34.33 C ATOM 343 CG GLU A 42 2.630 13.418 7.163 1.00 39.96 C ATOM 344 CD GLU A 42 3.346 14.453 8.019 1.00 40.47 C ATOM 345 OE1 GLU A 42 2.691 15.409 8.477 1.00 43.69 O ATOM 346 OE2 GLU A 42 4.567 14.313 8.227 1.00 41.62 O ATOM 0 H GLU A 42 4.306 9.493 6.772 1.00 32.66 H new ATOM 0 HA GLU A 42 3.466 11.230 8.600 1.00 32.99 H new ATOM 0 HB2 GLU A 42 4.459 12.549 6.806 1.00 34.33 H new ATOM 0 HB3 GLU A 42 3.349 12.001 5.858 1.00 34.33 H new ATOM 0 HG2 GLU A 42 2.295 13.844 6.358 1.00 39.96 H new ATOM 0 HG3 GLU A 42 1.860 13.079 7.646 1.00 39.96 H new ATOM 347 N LEU A 43 1.046 10.891 8.204 1.00 32.92 N ATOM 348 CA LEU A 43 -0.342 10.464 8.083 1.00 34.47 C ATOM 349 C LEU A 43 -1.204 11.720 8.076 1.00 34.60 C ATOM 350 O LEU A 43 -0.993 12.625 8.878 1.00 35.33 O ATOM 351 CB LEU A 43 -0.762 9.585 9.268 1.00 35.83 C ATOM 352 CG LEU A 43 -0.179 8.181 9.401 1.00 35.09 C ATOM 353 CD1 LEU A 43 -0.787 7.501 10.624 1.00 36.71 C ATOM 354 CD2 LEU A 43 -0.473 7.380 8.141 1.00 36.11 C ATOM 0 H LEU A 43 1.178 11.477 8.820 1.00 32.92 H new ATOM 0 HA LEU A 43 -0.450 9.944 7.271 1.00 34.47 H new ATOM 0 HB2 LEU A 43 -0.546 10.069 10.081 1.00 35.83 H new ATOM 0 HB3 LEU A 43 -1.728 9.498 9.238 1.00 35.83 H new ATOM 0 HG LEU A 43 0.783 8.232 9.513 1.00 35.09 H new ATOM 0 HD11 LEU A 43 -0.420 6.608 10.714 1.00 36.71 H new ATOM 0 HD12 LEU A 43 -0.579 8.017 11.418 1.00 36.71 H new ATOM 0 HD13 LEU A 43 -1.750 7.445 10.518 1.00 36.71 H new ATOM 0 HD21 LEU A 43 -0.101 6.489 8.230 1.00 36.11 H new ATOM 0 HD22 LEU A 43 -1.433 7.318 8.013 1.00 36.11 H new ATOM 0 HD23 LEU A 43 -0.073 7.822 7.376 1.00 36.11 H new ATOM 355 N VAL A 44 -2.167 11.776 7.164 1.00 34.39 N ATOM 356 CA VAL A 44 -3.067 12.920 7.090 1.00 36.29 C ATOM 357 C VAL A 44 -4.495 12.398 7.083 1.00 35.36 C ATOM 358 O VAL A 44 -4.876 11.611 6.215 1.00 36.44 O ATOM 359 CB VAL A 44 -2.838 13.758 5.819 1.00 36.93 C ATOM 360 CG1 VAL A 44 -3.776 14.965 5.828 1.00 39.72 C ATOM 361 CG2 VAL A 44 -1.382 14.211 5.747 1.00 38.09 C ATOM 0 H VAL A 44 -2.316 11.163 6.579 1.00 34.39 H new ATOM 0 HA VAL A 44 -2.897 13.493 7.854 1.00 36.29 H new ATOM 0 HB VAL A 44 -3.029 13.217 5.037 1.00 36.93 H new ATOM 0 HG11 VAL A 44 -3.632 15.493 5.027 1.00 39.72 H new ATOM 0 HG12 VAL A 44 -4.696 14.660 5.852 1.00 39.72 H new ATOM 0 HG13 VAL A 44 -3.596 15.509 6.610 1.00 39.72 H new ATOM 0 HG21 VAL A 44 -1.246 14.738 4.944 1.00 38.09 H new ATOM 0 HG22 VAL A 44 -1.171 14.749 6.526 1.00 38.09 H new ATOM 0 HG23 VAL A 44 -0.802 13.434 5.725 1.00 38.09 H new ATOM 362 N PHE A 45 -5.266 12.830 8.071 1.00 34.96 N ATOM 363 CA PHE A 45 -6.653 12.417 8.228 1.00 36.68 C ATOM 364 C PHE A 45 -7.582 13.543 7.798 1.00 38.40 C ATOM 365 O PHE A 45 -7.408 14.689 8.213 1.00 39.91 O ATOM 366 CB PHE A 45 -6.937 12.093 9.695 1.00 36.86 C ATOM 367 CG PHE A 45 -6.168 10.917 10.227 1.00 38.52 C ATOM 368 CD1 PHE A 45 -6.659 9.624 10.078 1.00 39.30 C ATOM 369 CD2 PHE A 45 -4.967 11.105 10.910 1.00 40.04 C ATOM 370 CE1 PHE A 45 -5.966 8.532 10.598 1.00 40.97 C ATOM 371 CE2 PHE A 45 -4.264 10.018 11.435 1.00 39.47 C ATOM 372 CZ PHE A 45 -4.767 8.730 11.281 1.00 38.34 C ATOM 0 H PHE A 45 -4.996 13.378 8.676 1.00 34.96 H new ATOM 0 HA PHE A 45 -6.804 11.632 7.678 1.00 36.68 H new ATOM 0 HB2 PHE A 45 -6.730 12.873 10.234 1.00 36.86 H new ATOM 0 HB3 PHE A 45 -7.886 11.920 9.800 1.00 36.86 H new ATOM 0 HD1 PHE A 45 -7.460 9.486 9.626 1.00 39.30 H new ATOM 0 HD2 PHE A 45 -4.630 11.965 11.017 1.00 40.04 H new ATOM 0 HE1 PHE A 45 -6.303 7.672 10.489 1.00 40.97 H new ATOM 0 HE2 PHE A 45 -3.462 10.155 11.886 1.00 39.47 H new ATOM 0 HZ PHE A 45 -4.305 8.004 11.633 1.00 38.34 H new ATOM 373 N ASP A 46 -8.567 13.215 6.971 1.00 40.48 N ATOM 374 CA ASP A 46 -9.539 14.200 6.511 1.00 43.71 C ATOM 375 C ASP A 46 -10.923 13.728 6.950 1.00 44.22 C ATOM 376 O ASP A 46 -11.478 12.796 6.373 1.00 44.08 O ATOM 377 CB ASP A 46 -9.474 14.330 4.987 1.00 45.72 C ATOM 378 CG ASP A 46 -10.415 15.391 4.449 1.00 47.15 C ATOM 379 OD1 ASP A 46 -10.142 15.915 3.348 1.00 49.79 O ATOM 380 OD2 ASP A 46 -11.424 15.691 5.118 1.00 47.79 O ATOM 0 H ASP A 46 -8.691 12.422 6.662 1.00 40.48 H new ATOM 0 HA ASP A 46 -9.348 15.072 6.891 1.00 43.71 H new ATOM 0 HB2 ASP A 46 -8.566 14.545 4.723 1.00 45.72 H new ATOM 0 HB3 ASP A 46 -9.692 13.475 4.584 1.00 45.72 H new ATOM 381 N ASP A 47 -11.470 14.374 7.977 1.00 46.11 N ATOM 382 CA ASP A 47 -12.780 14.011 8.521 1.00 49.16 C ATOM 383 C ASP A 47 -13.965 14.274 7.594 1.00 51.44 C ATOM 384 O ASP A 47 -15.003 13.618 7.705 1.00 52.62 O ATOM 385 CB ASP A 47 -13.027 14.746 9.840 1.00 48.85 C ATOM 386 CG ASP A 47 -11.994 14.420 10.894 1.00 48.02 C ATOM 387 OD1 ASP A 47 -11.706 13.224 11.096 1.00 48.07 O ATOM 388 OD2 ASP A 47 -11.479 15.361 11.528 1.00 49.06 O ATOM 0 H ASP A 47 -11.094 15.035 8.379 1.00 46.11 H new ATOM 0 HA ASP A 47 -12.735 13.050 8.645 1.00 49.16 H new ATOM 0 HB2 ASP A 47 -13.027 15.702 9.678 1.00 48.85 H new ATOM 0 HB3 ASP A 47 -13.908 14.515 10.174 1.00 48.85 H new ATOM 389 N GLU A 48 -13.819 15.234 6.690 1.00 52.83 N ATOM 390 CA GLU A 48 -14.899 15.575 5.773 1.00 55.30 C ATOM 391 C GLU A 48 -15.005 14.616 4.596 1.00 55.86 C ATOM 392 O GLU A 48 -16.107 14.239 4.195 1.00 55.99 O ATOM 393 CB GLU A 48 -14.712 17.010 5.284 1.00 57.49 C ATOM 394 CG GLU A 48 -14.812 18.032 6.428 1.00 61.32 C ATOM 395 CD GLU A 48 -13.729 19.087 6.372 1.00 63.32 C ATOM 396 OE1 GLU A 48 -12.535 18.717 6.374 1.00 64.90 O ATOM 397 OE2 GLU A 48 -14.072 20.287 6.336 1.00 65.12 O ATOM 0 H GLU A 48 -13.103 15.700 6.591 1.00 52.83 H new ATOM 0 HA GLU A 48 -15.734 15.496 6.261 1.00 55.30 H new ATOM 0 HB2 GLU A 48 -13.847 17.093 4.853 1.00 57.49 H new ATOM 0 HB3 GLU A 48 -15.383 17.211 4.613 1.00 57.49 H new ATOM 0 HG2 GLU A 48 -15.680 18.464 6.395 1.00 61.32 H new ATOM 0 HG3 GLU A 48 -14.760 17.566 7.277 1.00 61.32 H new ATOM 398 N LYS A 49 -13.862 14.220 4.045 1.00 55.39 N ATOM 399 CA LYS A 49 -13.841 13.295 2.919 1.00 54.93 C ATOM 400 C LYS A 49 -13.761 11.862 3.428 1.00 53.38 C ATOM 401 O LYS A 49 -13.908 10.911 2.660 1.00 52.60 O ATOM 402 CB LYS A 49 -12.644 13.590 2.007 1.00 56.75 C ATOM 403 CG LYS A 49 -12.729 14.930 1.269 1.00 59.75 C ATOM 404 CD LYS A 49 -13.934 14.957 0.306 1.00 62.53 C ATOM 405 CE LYS A 49 -14.032 16.292 -0.440 1.00 64.25 C ATOM 406 NZ LYS A 49 -15.200 16.318 -1.369 1.00 66.45 N ATOM 0 H LYS A 49 -13.085 14.477 4.310 1.00 55.39 H new ATOM 0 HA LYS A 49 -14.658 13.409 2.408 1.00 54.93 H new ATOM 0 HB2 LYS A 49 -11.834 13.577 2.540 1.00 56.75 H new ATOM 0 HB3 LYS A 49 -12.565 12.877 1.354 1.00 56.75 H new ATOM 0 HG2 LYS A 49 -12.808 15.652 1.912 1.00 59.75 H new ATOM 0 HG3 LYS A 49 -11.910 15.081 0.772 1.00 59.75 H new ATOM 0 HD2 LYS A 49 -13.853 14.233 -0.335 1.00 62.53 H new ATOM 0 HD3 LYS A 49 -14.751 14.804 0.805 1.00 62.53 H new ATOM 0 HE2 LYS A 49 -14.111 17.016 0.200 1.00 64.25 H new ATOM 0 HE3 LYS A 49 -13.216 16.444 -0.941 1.00 64.25 H new ATOM 0 HZ1 LYS A 49 -15.230 17.103 -1.786 1.00 66.45 H new ATOM 0 HZ2 LYS A 49 -15.117 15.666 -1.969 1.00 66.45 H new ATOM 0 HZ3 LYS A 49 -15.951 16.200 -0.906 1.00 66.45 H new ATOM 407 N GLY A 50 -13.530 11.720 4.731 1.00 51.70 N ATOM 408 CA GLY A 50 -13.431 10.404 5.334 1.00 49.86 C ATOM 409 C GLY A 50 -12.298 9.565 4.770 1.00 48.40 C ATOM 410 O GLY A 50 -12.488 8.393 4.443 1.00 48.37 O ATOM 0 H GLY A 50 -13.428 12.375 5.279 1.00 51.70 H new ATOM 0 HA2 GLY A 50 -13.306 10.503 6.291 1.00 49.86 H new ATOM 0 HA3 GLY A 50 -14.269 9.933 5.205 1.00 49.86 H new ATOM 411 N THR A 51 -11.113 10.159 4.660 1.00 46.05 N ATOM 412 CA THR A 51 -9.958 9.448 4.123 1.00 43.45 C ATOM 413 C THR A 51 -8.730 9.580 5.006 1.00 41.96 C ATOM 414 O THR A 51 -8.709 10.338 5.976 1.00 39.85 O ATOM 415 CB THR A 51 -9.561 9.970 2.729 1.00 43.83 C ATOM 416 OG1 THR A 51 -9.213 11.359 2.822 1.00 44.91 O ATOM 417 CG2 THR A 51 -10.704 9.792 1.737 1.00 44.01 C ATOM 0 H THR A 51 -10.957 10.973 4.891 1.00 46.05 H new ATOM 0 HA THR A 51 -10.237 8.520 4.077 1.00 43.45 H new ATOM 0 HB THR A 51 -8.799 9.460 2.412 1.00 43.83 H new ATOM 0 HG1 THR A 51 -8.995 11.645 2.063 1.00 44.91 H new ATOM 0 HG21 THR A 51 -10.433 10.126 0.868 1.00 44.01 H new ATOM 0 HG22 THR A 51 -10.927 8.851 1.666 1.00 44.01 H new ATOM 0 HG23 THR A 51 -11.480 10.285 2.045 1.00 44.01 H new ATOM 418 N VAL A 52 -7.707 8.818 4.649 1.00 40.91 N ATOM 419 CA VAL A 52 -6.438 8.832 5.353 1.00 39.84 C ATOM 420 C VAL A 52 -5.380 8.658 4.283 1.00 38.62 C ATOM 421 O VAL A 52 -5.456 7.733 3.469 1.00 39.44 O ATOM 422 CB VAL A 52 -6.317 7.665 6.358 1.00 41.06 C ATOM 423 CG1 VAL A 52 -4.943 7.693 7.026 1.00 43.15 C ATOM 424 CG2 VAL A 52 -7.407 7.768 7.406 1.00 41.82 C ATOM 0 H VAL A 52 -7.731 8.273 3.984 1.00 40.91 H new ATOM 0 HA VAL A 52 -6.347 9.655 5.859 1.00 39.84 H new ATOM 0 HB VAL A 52 -6.418 6.826 5.882 1.00 41.06 H new ATOM 0 HG11 VAL A 52 -4.874 6.958 7.655 1.00 43.15 H new ATOM 0 HG12 VAL A 52 -4.253 7.605 6.350 1.00 43.15 H new ATOM 0 HG13 VAL A 52 -4.829 8.533 7.497 1.00 43.15 H new ATOM 0 HG21 VAL A 52 -7.324 7.032 8.033 1.00 41.82 H new ATOM 0 HG22 VAL A 52 -7.320 8.609 7.882 1.00 41.82 H new ATOM 0 HG23 VAL A 52 -8.275 7.729 6.975 1.00 41.82 H new ATOM 425 N ASP A 53 -4.413 9.566 4.258 1.00 38.00 N ATOM 426 CA ASP A 53 -3.335 9.475 3.290 1.00 36.33 C ATOM 427 C ASP A 53 -2.100 8.979 4.012 1.00 36.00 C ATOM 428 O ASP A 53 -1.690 9.553 5.022 1.00 36.89 O ATOM 429 CB ASP A 53 -3.058 10.829 2.650 1.00 37.16 C ATOM 430 CG ASP A 53 -4.198 11.292 1.763 1.00 41.43 C ATOM 431 OD1 ASP A 53 -5.182 11.849 2.290 1.00 44.21 O ATOM 432 OD2 ASP A 53 -4.114 11.083 0.539 1.00 42.66 O ATOM 0 H ASP A 53 -4.364 10.239 4.791 1.00 38.00 H new ATOM 0 HA ASP A 53 -3.585 8.863 2.580 1.00 36.33 H new ATOM 0 HB2 ASP A 53 -2.904 11.488 3.345 1.00 37.16 H new ATOM 0 HB3 ASP A 53 -2.244 10.776 2.125 1.00 37.16 H new ATOM 433 N PHE A 54 -1.536 7.894 3.500 1.00 34.39 N ATOM 434 CA PHE A 54 -0.340 7.284 4.067 1.00 35.35 C ATOM 435 C PHE A 54 0.881 7.681 3.261 1.00 35.41 C ATOM 436 O PHE A 54 0.871 7.591 2.030 1.00 36.87 O ATOM 437 CB PHE A 54 -0.445 5.757 4.018 1.00 35.84 C ATOM 438 CG PHE A 54 -1.461 5.170 4.944 1.00 37.98 C ATOM 439 CD1 PHE A 54 -1.084 4.685 6.192 1.00 39.10 C ATOM 440 CD2 PHE A 54 -2.799 5.096 4.571 1.00 39.46 C ATOM 441 CE1 PHE A 54 -2.017 4.106 7.043 1.00 38.93 C ATOM 442 CE2 PHE A 54 -3.741 4.520 5.413 1.00 38.83 C ATOM 443 CZ PHE A 54 -3.352 4.033 6.658 1.00 40.71 C ATOM 0 H PHE A 54 -1.839 7.486 2.806 1.00 34.39 H new ATOM 0 HA PHE A 54 -0.259 7.589 4.984 1.00 35.35 H new ATOM 0 HB2 PHE A 54 -0.659 5.489 3.111 1.00 35.84 H new ATOM 0 HB3 PHE A 54 0.423 5.379 4.228 1.00 35.84 H new ATOM 0 HD1 PHE A 54 -0.196 4.749 6.460 1.00 39.10 H new ATOM 0 HD2 PHE A 54 -3.066 5.436 3.748 1.00 39.46 H new ATOM 0 HE1 PHE A 54 -1.750 3.768 7.867 1.00 38.93 H new ATOM 0 HE2 PHE A 54 -4.630 4.460 5.146 1.00 38.83 H new ATOM 0 HZ PHE A 54 -3.983 3.660 7.231 1.00 40.71 H new ATOM 444 N TYR A 55 1.930 8.120 3.946 1.00 32.56 N ATOM 445 CA TYR A 55 3.182 8.454 3.277 1.00 33.67 C ATOM 446 C TYR A 55 4.233 7.636 4.001 1.00 32.78 C ATOM 447 O TYR A 55 4.438 7.807 5.200 1.00 33.37 O ATOM 448 CB TYR A 55 3.511 9.943 3.394 1.00 35.40 C ATOM 449 CG TYR A 55 2.554 10.834 2.647 1.00 38.10 C ATOM 450 CD1 TYR A 55 1.415 11.343 3.269 1.00 39.55 C ATOM 451 CD2 TYR A 55 2.773 11.151 1.307 1.00 41.06 C ATOM 452 CE1 TYR A 55 0.515 12.147 2.575 1.00 42.09 C ATOM 453 CE2 TYR A 55 1.874 11.955 0.600 1.00 43.12 C ATOM 454 CZ TYR A 55 0.751 12.445 1.242 1.00 43.57 C ATOM 455 OH TYR A 55 -0.144 13.225 0.552 1.00 46.73 O ATOM 0 H TYR A 55 1.938 8.232 4.799 1.00 32.56 H new ATOM 0 HA TYR A 55 3.135 8.262 2.327 1.00 33.67 H new ATOM 0 HB2 TYR A 55 3.510 10.194 4.331 1.00 35.40 H new ATOM 0 HB3 TYR A 55 4.409 10.095 3.061 1.00 35.40 H new ATOM 0 HD1 TYR A 55 1.254 11.142 4.163 1.00 39.55 H new ATOM 0 HD2 TYR A 55 3.529 10.822 0.877 1.00 41.06 H new ATOM 0 HE1 TYR A 55 -0.240 12.482 3.003 1.00 42.09 H new ATOM 0 HE2 TYR A 55 2.030 12.159 -0.294 1.00 43.12 H new ATOM 0 HH TYR A 55 -0.671 12.733 0.121 1.00 46.73 H new ATOM 456 N PHE A 56 4.874 6.721 3.284 1.00 32.70 N ATOM 457 CA PHE A 56 5.884 5.874 3.892 1.00 33.20 C ATOM 458 C PHE A 56 6.967 5.512 2.891 1.00 33.94 C ATOM 459 O PHE A 56 6.845 5.809 1.699 1.00 34.66 O ATOM 460 CB PHE A 56 5.246 4.591 4.456 1.00 31.59 C ATOM 461 CG PHE A 56 4.469 3.788 3.439 1.00 34.79 C ATOM 462 CD1 PHE A 56 3.127 4.054 3.198 1.00 35.75 C ATOM 463 CD2 PHE A 56 5.081 2.753 2.738 1.00 35.06 C ATOM 464 CE1 PHE A 56 2.401 3.291 2.273 1.00 38.70 C ATOM 465 CE2 PHE A 56 4.367 1.986 1.815 1.00 37.15 C ATOM 466 CZ PHE A 56 3.027 2.254 1.583 1.00 36.24 C ATOM 0 H PHE A 56 4.738 6.577 2.447 1.00 32.70 H new ATOM 0 HA PHE A 56 6.289 6.372 4.619 1.00 33.20 H new ATOM 0 HB2 PHE A 56 5.945 4.032 4.830 1.00 31.59 H new ATOM 0 HB3 PHE A 56 4.653 4.830 5.186 1.00 31.59 H new ATOM 0 HD1 PHE A 56 2.706 4.746 3.655 1.00 35.75 H new ATOM 0 HD2 PHE A 56 5.980 2.569 2.887 1.00 35.06 H new ATOM 0 HE1 PHE A 56 1.503 3.476 2.120 1.00 38.70 H new ATOM 0 HE2 PHE A 56 4.790 1.296 1.357 1.00 37.15 H new ATOM 0 HZ PHE A 56 2.548 1.744 0.970 1.00 36.24 H new ATOM 467 N SER A 57 8.023 4.880 3.391 1.00 34.21 N ATOM 468 CA SER A 57 9.147 4.459 2.567 1.00 36.49 C ATOM 469 C SER A 57 9.355 2.955 2.669 1.00 36.70 C ATOM 470 O SER A 57 9.197 2.363 3.737 1.00 36.06 O ATOM 471 CB SER A 57 10.429 5.162 3.015 1.00 37.73 C ATOM 472 OG SER A 57 10.317 6.565 2.882 1.00 42.32 O ATOM 0 H SER A 57 8.107 4.683 4.224 1.00 34.21 H new ATOM 0 HA SER A 57 8.946 4.697 1.648 1.00 36.49 H new ATOM 0 HB2 SER A 57 10.618 4.936 3.939 1.00 37.73 H new ATOM 0 HB3 SER A 57 11.177 4.843 2.486 1.00 37.73 H new ATOM 0 HG SER A 57 10.443 6.782 2.080 1.00 42.32 H new ATOM 473 N VAL A 58 9.710 2.345 1.547 1.00 37.34 N ATOM 474 CA VAL A 58 9.970 0.915 1.491 1.00 38.22 C ATOM 475 C VAL A 58 11.108 0.672 0.519 1.00 39.95 C ATOM 476 O VAL A 58 11.258 1.396 -0.463 1.00 37.87 O ATOM 477 CB VAL A 58 8.734 0.108 1.023 1.00 40.52 C ATOM 478 CG1 VAL A 58 7.789 -0.104 2.185 0.10 39.74 C ATOM 479 CG2 VAL A 58 8.022 0.834 -0.109 1.00 40.23 C ATOM 0 H VAL A 58 9.807 2.750 0.795 1.00 37.34 H new ATOM 0 HA VAL A 58 10.194 0.616 2.386 1.00 38.22 H new ATOM 0 HB VAL A 58 9.030 -0.755 0.695 1.00 40.52 H new ATOM 0 HG11 VAL A 58 7.017 -0.610 1.886 0.10 39.74 H new ATOM 0 HG12 VAL A 58 8.244 -0.594 2.887 0.10 39.74 H new ATOM 0 HG13 VAL A 58 7.499 0.756 2.527 0.10 39.74 H new ATOM 0 HG21 VAL A 58 7.251 0.317 -0.391 1.00 40.23 H new ATOM 0 HG22 VAL A 58 7.731 1.707 0.199 1.00 40.23 H new ATOM 0 HG23 VAL A 58 8.630 0.942 -0.857 1.00 40.23 H new ATOM 480 N LYS A 59 11.920 -0.336 0.810 1.00 41.00 N ATOM 481 CA LYS A 59 13.047 -0.664 -0.049 1.00 44.94 C ATOM 482 C LYS A 59 12.623 -1.807 -0.962 1.00 47.10 C ATOM 483 O LYS A 59 12.172 -2.852 -0.493 1.00 47.25 O ATOM 484 CB LYS A 59 14.249 -1.073 0.805 1.00 44.96 C ATOM 485 CG LYS A 59 15.590 -1.080 0.064 1.00 45.48 C ATOM 486 CD LYS A 59 16.745 -1.465 1.016 1.00 45.53 C ATOM 487 CE LYS A 59 18.087 -1.473 0.295 1.00 48.41 C ATOM 488 NZ LYS A 59 19.210 -1.853 1.200 1.00 48.70 N ATOM 0 H LYS A 59 11.835 -0.842 1.500 1.00 41.00 H new ATOM 0 HA LYS A 59 13.307 0.104 -0.582 1.00 44.94 H new ATOM 0 HB2 LYS A 59 14.314 -0.468 1.560 1.00 44.96 H new ATOM 0 HB3 LYS A 59 14.088 -1.959 1.165 1.00 44.96 H new ATOM 0 HG2 LYS A 59 15.552 -1.707 -0.675 1.00 45.48 H new ATOM 0 HG3 LYS A 59 15.758 -0.204 -0.316 1.00 45.48 H new ATOM 0 HD2 LYS A 59 16.778 -0.838 1.756 1.00 45.53 H new ATOM 0 HD3 LYS A 59 16.575 -2.342 1.394 1.00 45.53 H new ATOM 0 HE2 LYS A 59 18.049 -2.094 -0.449 1.00 48.41 H new ATOM 0 HE3 LYS A 59 18.257 -0.594 -0.078 1.00 48.41 H new ATOM 0 HZ1 LYS A 59 19.948 -1.420 0.956 1.00 48.70 H new ATOM 0 HZ2 LYS A 59 19.003 -1.636 2.038 1.00 48.70 H new ATOM 0 HZ3 LYS A 59 19.350 -2.730 1.147 1.00 48.70 H new ATOM 489 N ARG A 60 12.750 -1.594 -2.268 1.00 50.74 N ATOM 490 CA ARG A 60 12.376 -2.601 -3.254 1.00 54.14 C ATOM 491 C ARG A 60 13.496 -2.832 -4.260 1.00 54.62 C ATOM 492 O ARG A 60 14.003 -1.886 -4.862 1.00 54.66 O ATOM 493 CB ARG A 60 11.125 -2.166 -4.021 1.00 56.82 C ATOM 494 CG ARG A 60 9.860 -2.004 -3.190 1.00 60.94 C ATOM 495 CD ARG A 60 9.442 -3.313 -2.520 1.00 63.98 C ATOM 496 NE ARG A 60 8.029 -3.290 -2.153 1.00 67.28 N ATOM 497 CZ ARG A 60 7.064 -3.879 -2.852 1.00 68.40 C ATOM 498 NH1 ARG A 60 7.353 -4.553 -3.958 1.00 69.05 N ATOM 499 NH2 ARG A 60 5.804 -3.777 -2.456 1.00 70.24 N ATOM 0 H ARG A 60 13.054 -0.864 -2.606 1.00 50.74 H new ATOM 0 HA ARG A 60 12.202 -3.423 -2.769 1.00 54.14 H new ATOM 0 HB2 ARG A 60 11.313 -1.322 -4.460 1.00 56.82 H new ATOM 0 HB3 ARG A 60 10.952 -2.817 -4.719 1.00 56.82 H new ATOM 0 HG2 ARG A 60 10.005 -1.326 -2.511 1.00 60.94 H new ATOM 0 HG3 ARG A 60 9.140 -1.688 -3.758 1.00 60.94 H new ATOM 0 HD2 ARG A 60 9.611 -4.055 -3.121 1.00 63.98 H new ATOM 0 HD3 ARG A 60 9.982 -3.461 -1.728 1.00 63.98 H new ATOM 0 HE ARG A 60 7.806 -2.868 -1.438 1.00 67.28 H new ATOM 0 HH11 ARG A 60 8.168 -4.610 -4.226 1.00 69.05 H new ATOM 0 HH12 ARG A 60 6.725 -4.932 -4.407 1.00 69.05 H new ATOM 0 HH21 ARG A 60 5.611 -3.330 -1.747 1.00 70.24 H new ATOM 0 HH22 ARG A 60 5.179 -4.158 -2.908 1.00 70.24 H new ATOM 500 N ASP A 61 13.880 -4.092 -4.438 1.00 54.93 N ATOM 501 CA ASP A 61 14.919 -4.434 -5.400 1.00 55.08 C ATOM 502 C ASP A 61 16.194 -3.624 -5.172 1.00 54.71 C ATOM 503 O ASP A 61 16.849 -3.196 -6.123 1.00 54.89 O ATOM 504 CB ASP A 61 14.387 -4.186 -6.813 1.00 56.50 C ATOM 505 CG ASP A 61 13.080 -4.912 -7.079 1.00 57.51 C ATOM 506 OD1 ASP A 61 12.280 -4.418 -7.902 1.00 58.04 O ATOM 507 OD2 ASP A 61 12.856 -5.980 -6.470 1.00 58.01 O ATOM 0 H ASP A 61 13.551 -4.763 -4.012 1.00 54.93 H new ATOM 0 HA ASP A 61 15.147 -5.370 -5.285 1.00 55.08 H new ATOM 0 HB2 ASP A 61 14.257 -3.234 -6.944 1.00 56.50 H new ATOM 0 HB3 ASP A 61 15.050 -4.473 -7.460 1.00 56.50 H new ATOM 508 N GLY A 62 16.538 -3.414 -3.906 1.00 53.58 N ATOM 509 CA GLY A 62 17.735 -2.667 -3.575 1.00 52.23 C ATOM 510 C GLY A 62 17.626 -1.163 -3.755 1.00 51.93 C ATOM 511 O GLY A 62 18.643 -0.466 -3.760 0.70 52.14 O ATOM 0 H GLY A 62 16.090 -3.697 -3.228 1.00 53.58 H new ATOM 0 HA2 GLY A 62 17.970 -2.852 -2.652 1.00 52.23 H new ATOM 0 HA3 GLY A 62 18.465 -2.992 -4.125 1.00 52.23 H new ATOM 512 N LYS A 63 16.404 -0.659 -3.909 1.00 50.85 N ATOM 513 CA LYS A 63 16.172 0.778 -4.080 1.00 50.90 C ATOM 514 C LYS A 63 15.100 1.298 -3.130 1.00 48.93 C ATOM 515 O LYS A 63 14.100 0.626 -2.894 1.00 47.97 O ATOM 516 CB LYS A 63 15.716 1.090 -5.509 1.00 53.76 C ATOM 517 CG LYS A 63 16.817 1.194 -6.560 1.00 58.07 C ATOM 518 CD LYS A 63 17.995 2.056 -6.087 1.00 60.55 C ATOM 519 CE LYS A 63 19.028 2.142 -7.176 1.00 61.81 C ATOM 520 NZ LYS A 63 18.372 2.723 -8.389 1.00 62.93 N ATOM 0 H LYS A 63 15.688 -1.136 -3.918 1.00 50.85 H new ATOM 0 HA LYS A 63 17.016 1.214 -3.887 1.00 50.90 H new ATOM 0 HB2 LYS A 63 15.093 0.401 -5.787 1.00 53.76 H new ATOM 0 HB3 LYS A 63 15.226 1.927 -5.497 1.00 53.76 H new ATOM 0 HG2 LYS A 63 17.137 0.305 -6.779 1.00 58.07 H new ATOM 0 HG3 LYS A 63 16.449 1.572 -7.374 1.00 58.07 H new ATOM 0 HD2 LYS A 63 17.684 2.944 -5.853 1.00 60.55 H new ATOM 0 HD3 LYS A 63 18.387 1.673 -5.287 1.00 60.55 H new ATOM 0 HE2 LYS A 63 19.772 2.696 -6.894 1.00 61.81 H new ATOM 0 HE3 LYS A 63 19.388 1.263 -7.373 1.00 61.81 H new ATOM 0 HZ1 LYS A 63 18.976 3.164 -8.871 1.00 62.93 H new ATOM 0 HZ2 LYS A 63 18.022 2.068 -8.880 1.00 62.93 H new ATOM 0 HZ3 LYS A 63 17.727 3.283 -8.139 1.00 62.93 H new ATOM 521 N TRP A 64 15.300 2.502 -2.599 1.00 47.09 N ATOM 522 CA TRP A 64 14.316 3.091 -1.698 1.00 45.82 C ATOM 523 C TRP A 64 13.227 3.823 -2.464 1.00 45.04 C ATOM 524 O TRP A 64 13.503 4.562 -3.408 1.00 46.22 O ATOM 525 CB TRP A 64 14.977 4.047 -0.705 1.00 43.57 C ATOM 526 CG TRP A 64 15.643 3.330 0.415 1.00 41.63 C ATOM 527 CD1 TRP A 64 16.961 3.009 0.515 1.00 40.83 C ATOM 528 CD2 TRP A 64 15.003 2.790 1.580 1.00 42.21 C ATOM 529 NE1 TRP A 64 17.188 2.301 1.673 1.00 41.56 N ATOM 530 CE2 TRP A 64 16.007 2.156 2.343 1.00 42.22 C ATOM 531 CE3 TRP A 64 13.684 2.786 2.049 1.00 42.18 C ATOM 532 CZ2 TRP A 64 15.724 1.514 3.556 1.00 41.56 C ATOM 533 CZ3 TRP A 64 13.405 2.149 3.253 1.00 41.54 C ATOM 534 CH2 TRP A 64 14.424 1.524 3.994 1.00 41.88 C ATOM 0 H TRP A 64 15.993 2.990 -2.747 1.00 47.09 H new ATOM 0 HA TRP A 64 13.910 2.360 -1.207 1.00 45.82 H new ATOM 0 HB2 TRP A 64 15.630 4.592 -1.171 1.00 43.57 H new ATOM 0 HB3 TRP A 64 14.308 4.651 -0.347 1.00 43.57 H new ATOM 0 HD1 TRP A 64 17.613 3.235 -0.108 1.00 40.83 H new ATOM 0 HE1 TRP A 64 17.950 1.999 1.933 1.00 41.56 H new ATOM 0 HE3 TRP A 64 13.007 3.201 1.565 1.00 42.18 H new ATOM 0 HZ2 TRP A 64 16.394 1.096 4.047 1.00 41.56 H new ATOM 0 HZ3 TRP A 64 12.532 2.136 3.573 1.00 41.54 H new ATOM 0 HH2 TRP A 64 14.212 1.108 4.798 1.00 41.88 H new ATOM 535 N LYS A 65 11.986 3.612 -2.038 1.00 45.03 N ATOM 536 CA LYS A 65 10.826 4.222 -2.673 1.00 45.47 C ATOM 537 C LYS A 65 9.945 4.971 -1.673 1.00 45.44 C ATOM 538 O LYS A 65 9.691 4.480 -0.572 1.00 43.19 O ATOM 539 CB LYS A 65 9.970 3.142 -3.339 1.00 47.56 C ATOM 540 CG LYS A 65 9.965 3.145 -4.865 1.00 52.44 C ATOM 541 CD LYS A 65 11.264 2.621 -5.443 1.00 55.06 C ATOM 542 CE LYS A 65 11.215 2.633 -6.972 1.00 57.06 C ATOM 543 NZ LYS A 65 12.427 2.015 -7.575 1.00 58.71 N ATOM 0 H LYS A 65 11.793 3.108 -1.368 1.00 45.03 H new ATOM 0 HA LYS A 65 11.164 4.855 -3.326 1.00 45.47 H new ATOM 0 HB2 LYS A 65 10.280 2.275 -3.035 1.00 47.56 H new ATOM 0 HB3 LYS A 65 9.056 3.241 -3.029 1.00 47.56 H new ATOM 0 HG2 LYS A 65 9.228 2.602 -5.185 1.00 52.44 H new ATOM 0 HG3 LYS A 65 9.812 4.048 -5.184 1.00 52.44 H new ATOM 0 HD2 LYS A 65 12.005 3.166 -5.134 1.00 55.06 H new ATOM 0 HD3 LYS A 65 11.424 1.718 -5.126 1.00 55.06 H new ATOM 0 HE2 LYS A 65 10.426 2.156 -7.273 1.00 57.06 H new ATOM 0 HE3 LYS A 65 11.130 3.547 -7.285 1.00 57.06 H new ATOM 0 HZ1 LYS A 65 12.363 2.040 -8.462 1.00 58.71 H new ATOM 0 HZ2 LYS A 65 13.150 2.466 -7.317 1.00 58.71 H new ATOM 0 HZ3 LYS A 65 12.494 1.169 -7.307 1.00 58.71 H new ATOM 544 N ASN A 66 9.488 6.158 -2.060 1.00 42.96 N ATOM 545 CA ASN A 66 8.586 6.938 -1.219 1.00 43.77 C ATOM 546 C ASN A 66 7.202 6.651 -1.780 1.00 43.04 C ATOM 547 O ASN A 66 6.948 6.880 -2.964 1.00 43.37 O ATOM 548 CB ASN A 66 8.886 8.435 -1.307 1.00 45.78 C ATOM 549 CG ASN A 66 10.221 8.794 -0.702 1.00 47.86 C ATOM 550 OD1 ASN A 66 10.550 8.365 0.403 1.00 50.29 O ATOM 551 ND2 ASN A 66 11.001 9.592 -1.421 1.00 50.71 N ATOM 0 H ASN A 66 9.689 6.531 -2.809 1.00 42.96 H new ATOM 0 HA ASN A 66 8.675 6.699 -0.283 1.00 43.77 H new ATOM 0 HB2 ASN A 66 8.871 8.711 -2.237 1.00 45.78 H new ATOM 0 HB3 ASN A 66 8.185 8.929 -0.853 1.00 45.78 H new ATOM 0 HD21 ASN A 66 11.770 9.829 -1.118 1.00 50.71 H new ATOM 0 HD22 ASN A 66 10.737 9.872 -2.190 1.00 50.71 H new ATOM 552 N VAL A 67 6.314 6.143 -0.937 1.00 40.39 N ATOM 553 CA VAL A 67 4.974 5.785 -1.379 1.00 40.45 C ATOM 554 C VAL A 67 3.855 6.601 -0.744 1.00 40.12 C ATOM 555 O VAL A 67 3.950 7.029 0.406 1.00 38.78 O ATOM 556 CB VAL A 67 4.701 4.288 -1.102 1.00 40.20 C ATOM 557 CG1 VAL A 67 3.369 3.871 -1.707 1.00 39.93 C ATOM 558 CG2 VAL A 67 5.837 3.449 -1.650 1.00 40.48 C ATOM 0 H VAL A 67 6.467 5.997 -0.103 1.00 40.39 H new ATOM 0 HA VAL A 67 4.964 5.982 -2.329 1.00 40.45 H new ATOM 0 HB VAL A 67 4.649 4.145 -0.144 1.00 40.20 H new ATOM 0 HG11 VAL A 67 3.211 2.931 -1.526 1.00 39.93 H new ATOM 0 HG12 VAL A 67 2.656 4.400 -1.316 1.00 39.93 H new ATOM 0 HG13 VAL A 67 3.389 4.016 -2.666 1.00 39.93 H new ATOM 0 HG21 VAL A 67 5.661 2.511 -1.474 1.00 40.48 H new ATOM 0 HG22 VAL A 67 5.911 3.590 -2.607 1.00 40.48 H new ATOM 0 HG23 VAL A 67 6.667 3.708 -1.221 1.00 40.48 H new ATOM 559 N HIS A 68 2.794 6.810 -1.518 1.00 39.18 N ATOM 560 CA HIS A 68 1.624 7.541 -1.062 1.00 40.70 C ATOM 561 C HIS A 68 0.388 6.697 -1.344 1.00 41.35 C ATOM 562 O HIS A 68 0.138 6.296 -2.483 1.00 42.24 O ATOM 563 CB HIS A 68 1.516 8.892 -1.776 1.00 42.51 C ATOM 564 CG HIS A 68 0.197 9.574 -1.578 1.00 44.46 C ATOM 565 ND1 HIS A 68 -0.664 10.127 -2.467 1.00 45.47 N flip ATOM 566 CD2 HIS A 68 -0.372 9.751 -0.336 1.00 45.57 C flip ATOM 567 CE1 HIS A 68 -1.725 10.621 -1.750 1.00 45.75 C flip ATOM 568 NE2 HIS A 68 -1.526 10.382 -0.467 1.00 45.93 N flip ATOM 0 H HIS A 68 2.736 6.528 -2.328 1.00 39.18 H new ATOM 0 HA HIS A 68 1.700 7.714 -0.111 1.00 40.70 H new ATOM 0 HB2 HIS A 68 2.223 9.475 -1.458 1.00 42.51 H new ATOM 0 HB3 HIS A 68 1.663 8.760 -2.726 1.00 42.51 H new ATOM 0 HD1 HIS A 68 -0.564 10.162 -3.320 1.00 45.47 H new ATOM 0 HD2 HIS A 68 -0.002 9.470 0.470 1.00 45.57 H new ATOM 0 HE1 HIS A 68 -2.465 11.054 -2.110 1.00 45.75 H new ATOM 569 N VAL A 69 -0.376 6.425 -0.294 1.00 41.35 N ATOM 570 CA VAL A 69 -1.585 5.624 -0.402 1.00 42.23 C ATOM 571 C VAL A 69 -2.771 6.343 0.217 1.00 42.83 C ATOM 572 O VAL A 69 -2.674 6.898 1.312 1.00 41.19 O ATOM 573 CB VAL A 69 -1.417 4.258 0.303 1.00 41.82 C ATOM 574 CG1 VAL A 69 -2.747 3.532 0.349 1.00 42.05 C ATOM 575 CG2 VAL A 69 -0.385 3.418 -0.433 1.00 42.22 C ATOM 0 H VAL A 69 -0.207 6.701 0.503 1.00 41.35 H new ATOM 0 HA VAL A 69 -1.745 5.482 -1.348 1.00 42.23 H new ATOM 0 HB VAL A 69 -1.110 4.406 1.211 1.00 41.82 H new ATOM 0 HG11 VAL A 69 -2.634 2.677 0.792 1.00 42.05 H new ATOM 0 HG12 VAL A 69 -3.391 4.067 0.839 1.00 42.05 H new ATOM 0 HG13 VAL A 69 -3.068 3.387 -0.555 1.00 42.05 H new ATOM 0 HG21 VAL A 69 -0.285 2.563 0.014 1.00 42.22 H new ATOM 0 HG22 VAL A 69 -0.678 3.272 -1.346 1.00 42.22 H new ATOM 0 HG23 VAL A 69 0.467 3.882 -0.437 1.00 42.22 H new ATOM 576 N LYS A 70 -3.893 6.314 -0.494 1.00 43.38 N ATOM 577 CA LYS A 70 -5.118 6.953 -0.039 1.00 44.51 C ATOM 578 C LYS A 70 -6.101 5.875 0.391 1.00 44.35 C ATOM 579 O LYS A 70 -6.393 4.960 -0.374 1.00 45.64 O ATOM 580 CB LYS A 70 -5.727 7.755 -1.185 1.00 46.79 C ATOM 581 CG LYS A 70 -6.300 9.043 -0.795 1.00 50.00 C ATOM 582 CD LYS A 70 -6.763 9.794 -2.028 1.00 52.20 C ATOM 583 CE LYS A 70 -7.329 11.103 -1.646 1.00 52.72 C ATOM 584 NZ LYS A 70 -6.330 11.845 -0.827 1.00 52.94 N ATOM 0 H LYS A 70 -3.964 5.922 -1.256 1.00 43.38 H new ATOM 0 HA LYS A 70 -4.924 7.545 0.704 1.00 44.51 H new ATOM 0 HB2 LYS A 70 -5.043 7.909 -1.855 1.00 46.79 H new ATOM 0 HB3 LYS A 70 -6.419 7.221 -1.605 1.00 46.79 H new ATOM 0 HG2 LYS A 70 -7.046 8.905 -0.191 1.00 50.00 H new ATOM 0 HG3 LYS A 70 -5.640 9.568 -0.315 1.00 50.00 H new ATOM 0 HD2 LYS A 70 -6.018 9.921 -2.636 1.00 52.20 H new ATOM 0 HD3 LYS A 70 -7.429 9.272 -2.502 1.00 52.20 H new ATOM 0 HE2 LYS A 70 -7.557 11.613 -2.439 1.00 52.72 H new ATOM 0 HE3 LYS A 70 -8.149 10.979 -1.143 1.00 52.72 H new ATOM 0 HZ1 LYS A 70 -6.294 12.692 -1.098 1.00 52.94 H new ATOM 0 HZ2 LYS A 70 -6.569 11.817 0.030 1.00 52.94 H new ATOM 0 HZ3 LYS A 70 -5.529 11.469 -0.923 1.00 52.94 H new ATOM 585 N ALA A 71 -6.605 5.977 1.613 1.00 43.05 N ATOM 586 CA ALA A 71 -7.565 5.006 2.115 1.00 43.02 C ATOM 587 C ALA A 71 -8.908 5.703 2.279 1.00 43.51 C ATOM 588 O ALA A 71 -8.960 6.885 2.620 1.00 42.69 O ATOM 589 CB ALA A 71 -7.098 4.444 3.449 1.00 42.25 C ATOM 0 H ALA A 71 -6.404 6.602 2.168 1.00 43.05 H new ATOM 0 HA ALA A 71 -7.647 4.268 1.491 1.00 43.02 H new ATOM 0 HB1 ALA A 71 -7.746 3.799 3.773 1.00 42.25 H new ATOM 0 HB2 ALA A 71 -6.239 4.009 3.334 1.00 42.25 H new ATOM 0 HB3 ALA A 71 -7.012 5.165 4.092 1.00 42.25 H new ATOM 590 N THR A 72 -9.990 4.969 2.040 1.00 44.13 N ATOM 591 CA THR A 72 -11.328 5.531 2.160 1.00 45.38 C ATOM 592 C THR A 72 -12.127 4.758 3.197 1.00 46.15 C ATOM 593 O THR A 72 -12.168 3.529 3.173 1.00 46.39 O ATOM 594 CB THR A 72 -12.073 5.482 0.810 1.00 45.98 C ATOM 595 OG1 THR A 72 -11.274 6.116 -0.197 1.00 48.84 O ATOM 596 CG2 THR A 72 -13.409 6.205 0.911 1.00 47.96 C ATOM 0 H THR A 72 -9.970 4.142 1.807 1.00 44.13 H new ATOM 0 HA THR A 72 -11.238 6.457 2.435 1.00 45.38 H new ATOM 0 HB THR A 72 -12.232 4.554 0.576 1.00 45.98 H new ATOM 0 HG1 THR A 72 -11.677 6.089 -0.933 1.00 48.84 H new ATOM 0 HG21 THR A 72 -13.864 6.165 0.055 1.00 47.96 H new ATOM 0 HG22 THR A 72 -13.957 5.779 1.589 1.00 47.96 H new ATOM 0 HG23 THR A 72 -13.258 7.132 1.154 1.00 47.96 H new ATOM 597 N LYS A 73 -12.761 5.487 4.108 1.00 46.96 N ATOM 598 CA LYS A 73 -13.555 4.874 5.163 1.00 50.43 C ATOM 599 C LYS A 73 -14.845 4.276 4.598 1.00 52.59 C ATOM 600 O LYS A 73 -15.309 4.674 3.530 1.00 52.42 O ATOM 601 CB LYS A 73 -13.884 5.920 6.230 1.00 51.28 C ATOM 602 CG LYS A 73 -14.550 5.366 7.480 1.00 53.68 C ATOM 603 CD LYS A 73 -14.943 6.498 8.437 1.00 55.03 C ATOM 604 CE LYS A 73 -15.613 5.949 9.696 1.00 58.19 C ATOM 605 NZ LYS A 73 -16.073 7.041 10.602 1.00 59.87 N ATOM 0 H LYS A 73 -12.743 6.346 4.132 1.00 46.96 H new ATOM 0 HA LYS A 73 -13.039 4.156 5.562 1.00 50.43 H new ATOM 0 HB2 LYS A 73 -13.064 6.370 6.488 1.00 51.28 H new ATOM 0 HB3 LYS A 73 -14.465 6.591 5.839 1.00 51.28 H new ATOM 0 HG2 LYS A 73 -15.338 4.858 7.233 1.00 53.68 H new ATOM 0 HG3 LYS A 73 -13.946 4.753 7.928 1.00 53.68 H new ATOM 0 HD2 LYS A 73 -14.154 7.006 8.683 1.00 55.03 H new ATOM 0 HD3 LYS A 73 -15.546 7.110 7.987 1.00 55.03 H new ATOM 0 HE2 LYS A 73 -16.370 5.397 9.445 1.00 58.19 H new ATOM 0 HE3 LYS A 73 -14.990 5.377 10.170 1.00 58.19 H new ATOM 0 HZ1 LYS A 73 -15.938 6.801 11.448 1.00 59.87 H new ATOM 0 HZ2 LYS A 73 -15.615 7.784 10.428 1.00 59.87 H new ATOM 0 HZ3 LYS A 73 -16.941 7.190 10.471 1.00 59.87 H new ATOM 606 N GLN A 74 -15.413 3.312 5.316 1.00 54.77 N ATOM 607 CA GLN A 74 -16.653 2.668 4.891 1.00 57.37 C ATOM 608 C GLN A 74 -17.655 2.709 6.036 1.00 58.79 C ATOM 609 O GLN A 74 -17.276 2.930 7.185 1.00 57.79 O ATOM 610 CB GLN A 74 -16.404 1.207 4.517 1.00 58.70 C ATOM 611 CG GLN A 74 -15.147 0.954 3.731 1.00 60.65 C ATOM 612 CD GLN A 74 -15.011 -0.501 3.342 1.00 62.23 C ATOM 613 OE1 GLN A 74 -14.131 -1.218 4.030 1.00 63.46 O flip ATOM 614 NE2 GLN A 74 -15.702 -0.981 2.444 0.20 62.41 N flip ATOM 0 H GLN A 74 -15.094 3.014 6.057 1.00 54.77 H new ATOM 0 HA GLN A 74 -16.996 3.141 4.117 1.00 57.37 H new ATOM 0 HB2 GLN A 74 -16.371 0.681 5.331 1.00 58.70 H new ATOM 0 HB3 GLN A 74 -17.161 0.886 4.002 1.00 58.70 H new ATOM 0 HG2 GLN A 74 -15.149 1.504 2.932 1.00 60.65 H new ATOM 0 HG3 GLN A 74 -14.377 1.221 4.257 1.00 60.65 H new ATOM 0 HE21 GLN A 74 -16.262 -0.484 2.020 0.20 62.41 H new ATOM 0 HE22 GLN A 74 -15.625 -1.813 2.240 0.20 62.41 H new ATOM 615 N ASP A 75 -18.931 2.491 5.721 1.00 60.48 N ATOM 616 CA ASP A 75 -19.981 2.488 6.736 1.00 62.76 C ATOM 617 C ASP A 75 -19.514 1.540 7.826 1.00 63.38 C ATOM 618 O ASP A 75 -19.757 1.751 9.014 1.00 64.25 O ATOM 619 CB ASP A 75 -21.293 1.964 6.150 1.00 63.31 C ATOM 620 CG ASP A 75 -21.683 2.663 4.866 1.00 64.32 C ATOM 621 OD1 ASP A 75 -22.646 2.207 4.215 1.00 65.16 O ATOM 622 OD2 ASP A 75 -21.032 3.667 4.507 1.00 65.26 O ATOM 0 H ASP A 75 -19.210 2.342 4.921 1.00 60.48 H new ATOM 0 HA ASP A 75 -20.138 3.385 7.071 1.00 62.76 H new ATOM 0 HB2 ASP A 75 -21.210 1.012 5.983 1.00 63.31 H new ATOM 0 HB3 ASP A 75 -22.002 2.077 6.803 1.00 63.31 H new ATOM 623 N ASP A 76 -18.835 0.488 7.385 1.00 64.24 N ATOM 624 CA ASP A 76 -18.292 -0.539 8.257 1.00 64.91 C ATOM 625 C ASP A 76 -17.403 0.084 9.331 1.00 64.21 C ATOM 626 O ASP A 76 -17.346 -0.397 10.459 1.00 64.26 O ATOM 627 CB ASP A 76 -17.491 -1.534 7.409 1.00 67.02 C ATOM 628 CG ASP A 76 -17.013 -2.734 8.197 1.00 68.34 C ATOM 629 OD1 ASP A 76 -16.498 -3.683 7.569 1.00 70.08 O ATOM 630 OD2 ASP A 76 -17.145 -2.736 9.437 1.00 70.26 O ATOM 0 H ASP A 76 -18.675 0.350 6.551 1.00 64.24 H new ATOM 0 HA ASP A 76 -19.018 -1.002 8.704 1.00 64.91 H new ATOM 0 HB2 ASP A 76 -18.041 -1.837 6.670 1.00 67.02 H new ATOM 0 HB3 ASP A 76 -16.725 -1.080 7.025 1.00 67.02 H new ATOM 631 N GLY A 77 -16.718 1.166 8.980 1.00 62.65 N ATOM 632 CA GLY A 77 -15.838 1.818 9.932 1.00 60.86 C ATOM 633 C GLY A 77 -14.391 1.531 9.586 1.00 58.52 C ATOM 634 O GLY A 77 -13.475 2.214 10.046 1.00 57.99 O ATOM 0 H GLY A 77 -16.750 1.533 8.203 1.00 62.65 H new ATOM 0 HA2 GLY A 77 -15.996 2.775 9.926 1.00 60.86 H new ATOM 0 HA3 GLY A 77 -16.032 1.504 10.829 1.00 60.86 H new ATOM 635 N THR A 78 -14.187 0.507 8.767 1.00 55.97 N ATOM 636 CA THR A 78 -12.850 0.131 8.337 1.00 53.17 C ATOM 637 C THR A 78 -12.474 1.006 7.150 1.00 51.54 C ATOM 638 O THR A 78 -13.295 1.779 6.649 1.00 51.75 O ATOM 639 CB THR A 78 -12.798 -1.338 7.884 1.00 53.98 C ATOM 640 OG1 THR A 78 -13.632 -1.510 6.731 1.00 53.70 O ATOM 641 CG2 THR A 78 -13.279 -2.259 8.998 1.00 53.72 C ATOM 0 H THR A 78 -14.815 0.014 8.447 1.00 55.97 H new ATOM 0 HA THR A 78 -12.239 0.247 9.082 1.00 53.17 H new ATOM 0 HB THR A 78 -11.881 -1.565 7.666 1.00 53.98 H new ATOM 0 HG1 THR A 78 -13.209 -1.280 6.042 1.00 53.70 H new ATOM 0 HG21 THR A 78 -13.240 -3.180 8.696 1.00 53.72 H new ATOM 0 HG22 THR A 78 -12.711 -2.150 9.776 1.00 53.72 H new ATOM 0 HG23 THR A 78 -14.193 -2.034 9.232 1.00 53.72 H new ATOM 642 N TYR A 79 -11.230 0.887 6.705 1.00 47.32 N ATOM 643 CA TYR A 79 -10.761 1.652 5.562 1.00 46.66 C ATOM 644 C TYR A 79 -10.272 0.679 4.506 1.00 44.67 C ATOM 645 O TYR A 79 -9.750 -0.383 4.836 1.00 45.91 O ATOM 646 CB TYR A 79 -9.600 2.571 5.950 1.00 45.71 C ATOM 647 CG TYR A 79 -9.947 3.653 6.945 1.00 46.04 C ATOM 648 CD1 TYR A 79 -10.200 3.348 8.280 1.00 45.43 C ATOM 649 CD2 TYR A 79 -10.018 4.989 6.548 1.00 45.93 C ATOM 650 CE1 TYR A 79 -10.516 4.350 9.200 1.00 47.89 C ATOM 651 CE2 TYR A 79 -10.334 5.996 7.458 1.00 46.40 C ATOM 652 CZ TYR A 79 -10.581 5.669 8.779 1.00 46.52 C ATOM 653 OH TYR A 79 -10.899 6.662 9.680 1.00 48.93 O ATOM 0 H TYR A 79 -10.641 0.366 7.053 1.00 47.32 H new ATOM 0 HA TYR A 79 -11.491 2.198 5.231 1.00 46.66 H new ATOM 0 HB2 TYR A 79 -8.885 2.029 6.319 1.00 45.71 H new ATOM 0 HB3 TYR A 79 -9.253 2.989 5.146 1.00 45.71 H new ATOM 0 HD1 TYR A 79 -10.158 2.463 8.563 1.00 45.43 H new ATOM 0 HD2 TYR A 79 -9.851 5.211 5.660 1.00 45.93 H new ATOM 0 HE1 TYR A 79 -10.682 4.134 10.089 1.00 47.89 H new ATOM 0 HE2 TYR A 79 -10.379 6.882 7.179 1.00 46.40 H new ATOM 0 HH TYR A 79 -10.901 7.405 9.289 1.00 48.93 H new ATOM 654 N VAL A 80 -10.445 1.036 3.240 1.00 43.39 N ATOM 655 CA VAL A 80 -9.974 0.186 2.157 1.00 42.46 C ATOM 656 C VAL A 80 -8.988 0.968 1.319 1.00 40.87 C ATOM 657 O VAL A 80 -9.115 2.182 1.159 1.00 42.24 O ATOM 658 CB VAL A 80 -11.119 -0.294 1.238 1.00 43.20 C ATOM 659 CG1 VAL A 80 -12.095 -1.131 2.029 1.00 44.51 C ATOM 660 CG2 VAL A 80 -11.814 0.898 0.600 1.00 45.48 C ATOM 0 H VAL A 80 -10.830 1.762 2.988 1.00 43.39 H new ATOM 0 HA VAL A 80 -9.565 -0.597 2.558 1.00 42.46 H new ATOM 0 HB VAL A 80 -10.751 -0.843 0.528 1.00 43.20 H new ATOM 0 HG11 VAL A 80 -12.811 -1.429 1.447 1.00 44.51 H new ATOM 0 HG12 VAL A 80 -11.636 -1.902 2.398 1.00 44.51 H new ATOM 0 HG13 VAL A 80 -12.466 -0.600 2.751 1.00 44.51 H new ATOM 0 HG21 VAL A 80 -12.530 0.586 0.026 1.00 45.48 H new ATOM 0 HG22 VAL A 80 -12.181 1.468 1.294 1.00 45.48 H new ATOM 0 HG23 VAL A 80 -11.174 1.402 0.073 1.00 45.48 H new ATOM 661 N ALA A 81 -7.999 0.270 0.781 1.00 39.95 N ATOM 662 CA ALA A 81 -7.001 0.917 -0.042 1.00 40.64 C ATOM 663 C ALA A 81 -6.290 -0.105 -0.901 1.00 41.44 C ATOM 664 O ALA A 81 -6.233 -1.291 -0.564 1.00 40.29 O ATOM 665 CB ALA A 81 -5.989 1.657 0.838 1.00 41.22 C ATOM 0 H ALA A 81 -7.891 -0.577 0.882 1.00 39.95 H new ATOM 0 HA ALA A 81 -7.443 1.559 -0.619 1.00 40.64 H new ATOM 0 HB1 ALA A 81 -5.325 2.087 0.277 1.00 41.22 H new ATOM 0 HB2 ALA A 81 -6.449 2.328 1.366 1.00 41.22 H new ATOM 0 HB3 ALA A 81 -5.551 1.025 1.430 1.00 41.22 H new ATOM 666 N ASP A 82 -5.754 0.367 -2.019 1.00 40.83 N ATOM 667 CA ASP A 82 -5.017 -0.486 -2.925 1.00 42.57 C ATOM 668 C ASP A 82 -3.529 -0.279 -2.706 1.00 41.80 C ATOM 669 O ASP A 82 -3.028 0.845 -2.761 1.00 43.40 O ATOM 670 CB ASP A 82 -5.366 -0.166 -4.378 1.00 45.17 C ATOM 671 CG ASP A 82 -6.721 -0.704 -4.781 1.00 48.60 C ATOM 672 OD1 ASP A 82 -6.915 -1.939 -4.721 1.00 51.04 O ATOM 673 OD2 ASP A 82 -7.591 0.107 -5.157 1.00 51.37 O ATOM 0 H ASP A 82 -5.809 1.188 -2.269 1.00 40.83 H new ATOM 0 HA ASP A 82 -5.256 -1.409 -2.747 1.00 42.57 H new ATOM 0 HB2 ASP A 82 -5.352 0.795 -4.507 1.00 45.17 H new ATOM 0 HB3 ASP A 82 -4.687 -0.540 -4.961 1.00 45.17 H new ATOM 674 N TYR A 83 -2.841 -1.380 -2.439 1.00 39.49 N ATOM 675 CA TYR A 83 -1.404 -1.390 -2.231 1.00 38.68 C ATOM 676 C TYR A 83 -0.983 -2.850 -2.186 1.00 39.11 C ATOM 677 O TYR A 83 -1.341 -3.574 -1.253 1.00 37.01 O ATOM 678 CB TYR A 83 -1.020 -0.704 -0.918 1.00 37.41 C ATOM 679 CG TYR A 83 0.458 -0.819 -0.639 1.00 37.91 C ATOM 680 CD1 TYR A 83 1.387 -0.164 -1.443 1.00 38.02 C ATOM 681 CD2 TYR A 83 0.936 -1.641 0.384 1.00 37.87 C ATOM 682 CE1 TYR A 83 2.751 -0.327 -1.246 1.00 38.13 C ATOM 683 CE2 TYR A 83 2.304 -1.813 0.590 1.00 39.02 C ATOM 684 CZ TYR A 83 3.205 -1.153 -0.233 1.00 37.74 C ATOM 685 OH TYR A 83 4.558 -1.330 -0.057 1.00 38.76 O ATOM 0 H TYR A 83 -3.204 -2.157 -2.373 1.00 39.49 H new ATOM 0 HA TYR A 83 -0.961 -0.905 -2.945 1.00 38.68 H new ATOM 0 HB2 TYR A 83 -1.270 0.232 -0.957 1.00 37.41 H new ATOM 0 HB3 TYR A 83 -1.519 -1.101 -0.187 1.00 37.41 H new ATOM 0 HD1 TYR A 83 1.088 0.393 -2.125 1.00 38.02 H new ATOM 0 HD2 TYR A 83 0.332 -2.081 0.937 1.00 37.87 H new ATOM 0 HE1 TYR A 83 3.358 0.117 -1.793 1.00 38.13 H new ATOM 0 HE2 TYR A 83 2.610 -2.365 1.273 1.00 39.02 H new ATOM 0 HH TYR A 83 4.696 -2.058 0.339 1.00 38.76 H new ATOM 686 N GLU A 84 -0.224 -3.279 -3.193 1.00 39.60 N ATOM 687 CA GLU A 84 0.219 -4.665 -3.269 1.00 42.63 C ATOM 688 C GLU A 84 -0.990 -5.572 -3.080 1.00 41.96 C ATOM 689 O GLU A 84 -0.928 -6.578 -2.367 1.00 41.64 O ATOM 690 CB GLU A 84 1.265 -4.954 -2.188 1.00 44.16 C ATOM 691 CG GLU A 84 2.612 -4.254 -2.414 1.00 48.41 C ATOM 692 CD GLU A 84 3.270 -4.664 -3.719 1.00 50.92 C ATOM 693 OE1 GLU A 84 3.330 -5.880 -3.997 1.00 51.09 O ATOM 694 OE2 GLU A 84 3.734 -3.775 -4.464 1.00 52.42 O ATOM 0 H GLU A 84 0.044 -2.782 -3.841 1.00 39.60 H new ATOM 0 HA GLU A 84 0.626 -4.829 -4.134 1.00 42.63 H new ATOM 0 HB2 GLU A 84 0.910 -4.681 -1.327 1.00 44.16 H new ATOM 0 HB3 GLU A 84 1.413 -5.912 -2.143 1.00 44.16 H new ATOM 0 HG2 GLU A 84 2.478 -3.293 -2.411 1.00 48.41 H new ATOM 0 HG3 GLU A 84 3.208 -4.460 -1.677 1.00 48.41 H new ATOM 695 N GLY A 85 -2.092 -5.198 -3.728 1.00 42.42 N ATOM 696 CA GLY A 85 -3.324 -5.958 -3.628 1.00 41.91 C ATOM 697 C GLY A 85 -4.419 -5.122 -2.989 1.00 42.08 C ATOM 698 O GLY A 85 -4.345 -3.894 -2.992 1.00 43.28 O ATOM 0 H GLY A 85 -2.142 -4.503 -4.232 1.00 42.42 H new ATOM 0 HA2 GLY A 85 -3.604 -6.246 -4.511 1.00 41.91 H new ATOM 0 HA3 GLY A 85 -3.174 -6.759 -3.102 1.00 41.91 H new ATOM 699 N GLN A 86 -5.436 -5.781 -2.444 1.00 42.27 N ATOM 700 CA GLN A 86 -6.535 -5.083 -1.789 1.00 41.97 C ATOM 701 C GLN A 86 -6.330 -5.135 -0.281 1.00 40.95 C ATOM 702 O GLN A 86 -5.880 -6.152 0.259 1.00 39.49 O ATOM 703 CB GLN A 86 -7.876 -5.726 -2.156 1.00 44.12 C ATOM 704 CG GLN A 86 -8.185 -5.692 -3.660 1.00 47.69 C ATOM 705 CD GLN A 86 -9.500 -5.006 -3.973 0.10 47.98 C ATOM 706 OE1 GLN A 86 -10.129 -4.433 -2.953 0.50 49.91 O flip ATOM 707 NE2 GLN A 86 -9.943 -4.989 -5.120 0.10 48.49 N flip ATOM 0 H GLN A 86 -5.508 -6.638 -2.443 1.00 42.27 H new ATOM 0 HA GLN A 86 -6.548 -4.160 -2.087 1.00 41.97 H new ATOM 0 HB2 GLN A 86 -7.877 -6.648 -1.854 1.00 44.12 H new ATOM 0 HB3 GLN A 86 -8.586 -5.270 -1.678 1.00 44.12 H new ATOM 0 HG2 GLN A 86 -7.467 -5.233 -4.123 1.00 47.69 H new ATOM 0 HG3 GLN A 86 -8.209 -6.599 -4.002 1.00 47.69 H new ATOM 0 HE21 GLN A 86 -9.507 -5.371 -5.755 0.10 48.49 H new ATOM 0 HE22 GLN A 86 -10.689 -4.595 -5.287 0.10 48.49 H new ATOM 708 N ASN A 87 -6.657 -4.041 0.399 1.00 38.51 N ATOM 709 CA ASN A 87 -6.476 -3.987 1.843 1.00 39.28 C ATOM 710 C ASN A 87 -7.697 -3.498 2.606 1.00 39.67 C ATOM 711 O ASN A 87 -8.413 -2.608 2.155 1.00 39.90 O ATOM 712 CB ASN A 87 -5.294 -3.078 2.202 1.00 37.91 C ATOM 713 CG ASN A 87 -4.028 -3.437 1.453 1.00 39.48 C ATOM 714 OD1 ASN A 87 -3.210 -4.288 2.060 1.00 37.86 O flip ATOM 715 ND2 ASN A 87 -3.790 -2.962 0.336 1.00 37.14 N flip ATOM 0 H ASN A 87 -6.982 -3.327 0.047 1.00 38.51 H new ATOM 0 HA ASN A 87 -6.312 -4.905 2.111 1.00 39.28 H new ATOM 0 HB2 ASN A 87 -5.529 -2.157 2.008 1.00 37.91 H new ATOM 0 HB3 ASN A 87 -5.127 -3.133 3.156 1.00 37.91 H new ATOM 0 HD21 ASN A 87 -4.345 -2.413 -0.025 1.00 37.14 H new ATOM 0 HD22 ASN A 87 -3.070 -3.181 -0.080 1.00 37.14 H new ATOM 716 N VAL A 88 -7.924 -4.104 3.766 1.00 39.64 N ATOM 717 CA VAL A 88 -9.010 -3.723 4.656 1.00 40.75 C ATOM 718 C VAL A 88 -8.280 -3.487 5.973 1.00 41.12 C ATOM 719 O VAL A 88 -7.848 -4.431 6.632 1.00 41.40 O ATOM 720 CB VAL A 88 -10.049 -4.851 4.828 1.00 42.01 C ATOM 721 CG1 VAL A 88 -11.052 -4.467 5.903 1.00 43.66 C ATOM 722 CG2 VAL A 88 -10.771 -5.097 3.511 1.00 42.38 C ATOM 0 H VAL A 88 -7.446 -4.755 4.060 1.00 39.64 H new ATOM 0 HA VAL A 88 -9.512 -2.962 4.325 1.00 40.75 H new ATOM 0 HB VAL A 88 -9.593 -5.664 5.095 1.00 42.01 H new ATOM 0 HG11 VAL A 88 -11.703 -5.179 6.008 1.00 43.66 H new ATOM 0 HG12 VAL A 88 -10.588 -4.327 6.743 1.00 43.66 H new ATOM 0 HG13 VAL A 88 -11.506 -3.650 5.645 1.00 43.66 H new ATOM 0 HG21 VAL A 88 -11.422 -5.807 3.626 1.00 42.38 H new ATOM 0 HG22 VAL A 88 -11.224 -4.285 3.233 1.00 42.38 H new ATOM 0 HG23 VAL A 88 -10.128 -5.356 2.833 1.00 42.38 H new ATOM 723 N APHE A 89 -8.189 -2.208 6.331 0.60 40.92 N ATOM 724 N BPHE A 89 -8.085 -2.236 6.360 0.40 41.73 N ATOM 725 CA APHE A 89 -7.467 -1.693 7.498 0.60 41.31 C ATOM 726 CA BPHE A 89 -7.423 -2.046 7.634 0.40 42.22 C ATOM 727 C APHE A 89 -8.369 -1.236 8.662 0.60 41.59 C ATOM 728 C BPHE A 89 -8.353 -1.385 8.626 0.40 42.12 C ATOM 729 O APHE A 89 -9.273 -0.425 8.453 0.60 41.76 O ATOM 730 O BPHE A 89 -9.234 -0.598 8.277 0.40 42.15 O ATOM 731 CB APHE A 89 -6.611 -0.534 6.955 0.60 40.15 C ATOM 732 CB BPHE A 89 -6.085 -1.311 7.486 0.40 42.81 C ATOM 733 CG APHE A 89 -5.735 0.148 7.964 0.60 40.57 C ATOM 734 CG BPHE A 89 -6.198 0.148 7.211 0.40 42.72 C ATOM 735 CD1APHE A 89 -6.242 1.144 8.794 0.60 39.36 C ATOM 736 CD1BPHE A 89 -6.535 1.037 8.225 0.40 42.88 C ATOM 737 CD2APHE A 89 -4.373 -0.137 8.012 0.60 39.82 C ATOM 738 CD2BPHE A 89 -5.935 0.641 5.942 0.40 42.99 C ATOM 739 CE1APHE A 89 -5.400 1.853 9.652 0.60 39.80 C ATOM 740 CE1BPHE A 89 -6.588 2.400 7.982 0.40 42.75 C ATOM 741 CE2APHE A 89 -3.522 0.565 8.867 0.60 39.54 C ATOM 742 CE2BPHE A 89 -5.985 2.000 5.688 0.40 43.38 C ATOM 743 CZ APHE A 89 -4.037 1.563 9.685 0.60 38.83 C ATOM 744 CZ BPHE A 89 -6.320 2.883 6.710 0.40 43.16 C ATOM 0 H APHE A 89 -8.566 -1.583 5.877 0.60 41.73 H new ATOM 0 H BPHE A 89 -8.312 -1.526 5.931 0.40 41.73 H new ATOM 0 HA APHE A 89 -6.938 -2.401 7.898 0.60 42.22 H new ATOM 0 HA BPHE A 89 -7.200 -2.920 7.990 0.40 42.22 H new ATOM 0 HB2APHE A 89 -6.051 -0.874 6.240 0.60 42.81 H new ATOM 0 HB2BPHE A 89 -5.571 -1.435 8.299 0.40 42.81 H new ATOM 0 HB3APHE A 89 -7.202 0.128 6.562 0.60 42.81 H new ATOM 0 HB3BPHE A 89 -5.582 -1.724 6.767 0.40 42.81 H new ATOM 0 HD1APHE A 89 -7.151 1.339 8.777 0.60 42.88 H new ATOM 0 HD1BPHE A 89 -6.727 0.713 9.076 0.40 42.88 H new ATOM 0 HD2APHE A 89 -4.025 -0.805 7.466 0.60 42.99 H new ATOM 0 HD2BPHE A 89 -5.723 0.052 5.254 0.40 42.99 H new ATOM 0 HE1APHE A 89 -5.748 2.518 10.201 0.60 42.75 H new ATOM 0 HE1BPHE A 89 -6.802 2.989 8.669 0.40 42.75 H new ATOM 0 HE2APHE A 89 -2.614 0.366 8.889 0.60 43.38 H new ATOM 0 HE2BPHE A 89 -5.795 2.323 4.837 0.40 43.38 H new ATOM 0 HZ APHE A 89 -3.473 2.037 10.253 0.60 43.16 H new ATOM 0 HZ BPHE A 89 -6.364 3.796 6.540 0.40 43.16 H new ATOM 745 N LYS A 90 -8.137 -1.751 9.875 1.00 41.37 N ATOM 746 CA LYS A 90 -8.945 -1.329 11.015 1.00 41.30 C ATOM 747 C LYS A 90 -8.101 -0.713 12.123 1.00 40.79 C ATOM 748 O LYS A 90 -7.078 -1.273 12.513 1.00 38.89 O ATOM 749 CB LYS A 90 -9.682 -2.556 11.562 1.00 43.15 C ATOM 750 CG LYS A 90 -10.575 -2.357 12.825 1.00 46.79 C ATOM 751 CD LYS A 90 -11.988 -1.883 12.459 1.00 51.25 C ATOM 752 CE LYS A 90 -12.878 -1.716 13.716 1.00 53.29 C ATOM 753 NZ LYS A 90 -12.217 -0.935 14.796 1.00 54.56 N ATOM 0 H ALYS A 90 -7.529 -2.333 10.053 0.60 41.37 H new ATOM 0 H BLYS A 90 -7.491 -2.273 10.097 0.40 41.37 H new ATOM 0 HA LYS A 90 -9.567 -0.649 10.714 1.00 41.30 H new ATOM 0 HB2 LYS A 90 -10.241 -2.910 10.853 1.00 43.15 H new ATOM 0 HB3 LYS A 90 -9.021 -3.235 11.767 1.00 43.15 H new ATOM 0 HG2 LYS A 90 -10.631 -3.192 13.315 1.00 46.79 H new ATOM 0 HG3 LYS A 90 -10.160 -1.709 13.415 1.00 46.79 H new ATOM 0 HD2 LYS A 90 -11.934 -1.038 11.986 1.00 51.25 H new ATOM 0 HD3 LYS A 90 -12.398 -2.521 11.854 1.00 51.25 H new ATOM 0 HE2 LYS A 90 -13.705 -1.275 13.465 1.00 53.29 H new ATOM 0 HE3 LYS A 90 -13.116 -2.593 14.057 1.00 53.29 H new ATOM 0 HZ1 LYS A 90 -12.818 -0.718 15.416 1.00 54.56 H new ATOM 0 HZ2 LYS A 90 -11.573 -1.426 15.166 1.00 54.56 H new ATOM 0 HZ3 LYS A 90 -11.864 -0.193 14.453 1.00 54.56 H new ATOM 754 N ILE A 91 -8.530 0.442 12.622 1.00 40.10 N ATOM 755 CA ILE A 91 -7.829 1.098 13.718 1.00 40.77 C ATOM 756 C ILE A 91 -8.407 0.487 14.991 1.00 40.62 C ATOM 757 O ILE A 91 -9.583 0.677 15.305 1.00 40.60 O ATOM 758 CB ILE A 91 -8.071 2.626 13.718 1.00 42.13 C ATOM 759 CG1 ILE A 91 -7.451 3.248 12.468 1.00 44.54 C ATOM 760 CG2 ILE A 91 -7.468 3.259 14.970 1.00 42.74 C ATOM 761 CD1 ILE A 91 -7.714 4.732 12.327 1.00 45.10 C ATOM 0 H ILE A 91 -9.225 0.862 12.339 1.00 40.10 H new ATOM 0 HA ILE A 91 -6.871 0.969 13.641 1.00 40.77 H new ATOM 0 HB ILE A 91 -9.027 2.792 13.716 1.00 42.13 H new ATOM 0 HG12 ILE A 91 -6.493 3.098 12.484 1.00 44.54 H new ATOM 0 HG13 ILE A 91 -7.796 2.791 11.685 1.00 44.54 H new ATOM 0 HG21 ILE A 91 -7.627 4.216 14.957 1.00 42.74 H new ATOM 0 HG22 ILE A 91 -7.881 2.874 15.759 1.00 42.74 H new ATOM 0 HG23 ILE A 91 -6.513 3.090 14.990 1.00 42.74 H new ATOM 0 HD11 ILE A 91 -7.294 5.060 11.516 1.00 45.10 H new ATOM 0 HD12 ILE A 91 -8.670 4.888 12.281 1.00 45.10 H new ATOM 0 HD13 ILE A 91 -7.346 5.200 13.093 1.00 45.10 H new ATOM 762 N VAL A 92 -7.581 -0.261 15.711 1.00 38.93 N ATOM 763 CA VAL A 92 -8.014 -0.925 16.935 1.00 40.27 C ATOM 764 C VAL A 92 -7.933 -0.010 18.151 1.00 41.62 C ATOM 765 O VAL A 92 -8.844 0.021 18.974 1.00 42.56 O ATOM 766 CB VAL A 92 -7.170 -2.192 17.184 1.00 40.28 C ATOM 767 CG1 VAL A 92 -7.621 -2.894 18.459 1.00 40.94 C ATOM 768 CG2 VAL A 92 -7.294 -3.122 15.989 1.00 40.29 C ATOM 0 H VAL A 92 -6.757 -0.398 15.506 1.00 38.93 H new ATOM 0 HA VAL A 92 -8.945 -1.168 16.811 1.00 40.27 H new ATOM 0 HB VAL A 92 -6.240 -1.939 17.296 1.00 40.28 H new ATOM 0 HG11 VAL A 92 -7.081 -3.687 18.600 1.00 40.94 H new ATOM 0 HG12 VAL A 92 -7.516 -2.293 19.214 1.00 40.94 H new ATOM 0 HG13 VAL A 92 -8.553 -3.149 18.376 1.00 40.94 H new ATOM 0 HG21 VAL A 92 -6.764 -3.920 16.143 1.00 40.29 H new ATOM 0 HG22 VAL A 92 -8.224 -3.371 15.867 1.00 40.29 H new ATOM 0 HG23 VAL A 92 -6.974 -2.670 15.193 1.00 40.29 H new ATOM 769 N ASER A 93 -6.833 0.729 18.261 0.60 42.09 N ATOM 770 N BSER A 93 -6.841 0.737 18.256 0.60 42.50 N ATOM 771 CA ASER A 93 -6.626 1.650 19.377 0.60 43.41 C ATOM 772 CA BSER A 93 -6.656 1.654 19.371 0.40 43.87 C ATOM 773 C ASER A 93 -5.974 2.918 18.840 0.60 44.25 C ATOM 774 C BSER A 93 -5.978 2.914 18.844 0.40 44.58 C ATOM 775 O ASER A 93 -5.042 2.850 18.038 0.60 42.76 O ATOM 776 O BSER A 93 -5.035 2.838 18.057 0.40 43.68 O ATOM 777 CB ASER A 93 -5.724 1.005 20.435 0.60 43.53 C ATOM 778 CB BSER A 93 -5.812 0.986 20.459 0.40 44.20 C ATOM 779 OG ASER A 93 -5.606 1.831 21.583 0.60 45.47 O ATOM 780 OG BSER A 93 -4.541 1.589 20.570 0.40 46.42 O ATOM 0 H ASER A 93 -6.187 0.712 17.693 0.60 42.50 H new ATOM 0 H BSER A 93 -6.194 0.727 17.690 0.60 42.50 H new ATOM 0 HA ASER A 93 -7.477 1.863 19.791 0.60 43.87 H new ATOM 0 HA BSER A 93 -7.510 1.890 19.765 0.40 43.87 H new ATOM 0 HB2ASER A 93 -6.087 0.142 20.690 0.60 44.20 H new ATOM 0 HB2BSER A 93 -6.274 1.044 21.310 0.40 44.20 H new ATOM 0 HB3ASER A 93 -4.845 0.843 20.059 0.60 44.20 H new ATOM 0 HB3BSER A 93 -5.708 0.043 20.256 0.40 44.20 H new ATOM 0 HG ASER A 93 -6.014 1.477 22.226 0.60 46.42 H new ATOM 0 HG BSER A 93 -4.062 1.139 21.093 0.40 46.42 H new ATOM 781 N LEU A 94 -6.466 4.073 19.274 1.00 45.07 N ATOM 782 CA LEU A 94 -5.917 5.339 18.807 1.00 47.15 C ATOM 783 C LEU A 94 -5.937 6.444 19.853 1.00 49.22 C ATOM 784 O LEU A 94 -6.878 6.556 20.638 1.00 51.43 O ATOM 785 CB LEU A 94 -6.698 5.789 17.571 1.00 48.00 C ATOM 786 CG LEU A 94 -6.240 7.031 16.811 1.00 48.58 C ATOM 787 CD1 LEU A 94 -4.842 6.813 16.250 1.00 49.06 C ATOM 788 CD2 LEU A 94 -7.221 7.319 15.689 1.00 47.95 C ATOM 0 H ALEU A 94 -7.113 4.145 19.835 0.60 45.07 H new ATOM 0 H BLEU A 94 -7.114 4.147 19.835 0.40 45.07 H new ATOM 0 HA LEU A 94 -4.983 5.182 18.599 1.00 47.15 H new ATOM 0 HB2 LEU A 94 -6.704 5.049 16.944 1.00 48.00 H new ATOM 0 HB3 LEU A 94 -7.617 5.936 17.844 1.00 48.00 H new ATOM 0 HG LEU A 94 -6.212 7.790 17.414 1.00 48.58 H new ATOM 0 HD11 LEU A 94 -4.559 7.606 15.769 1.00 49.06 H new ATOM 0 HD12 LEU A 94 -4.225 6.639 16.978 1.00 49.06 H new ATOM 0 HD13 LEU A 94 -4.850 6.055 15.645 1.00 49.06 H new ATOM 0 HD21 LEU A 94 -6.934 8.108 15.203 1.00 47.95 H new ATOM 0 HD22 LEU A 94 -7.253 6.561 15.085 1.00 47.95 H new ATOM 0 HD23 LEU A 94 -8.103 7.472 16.062 1.00 47.95 H new ATOM 789 N SER A 95 -4.883 7.254 19.857 1.00 49.02 N ATOM 790 CA SER A 95 -4.770 8.375 20.782 1.00 48.63 C ATOM 791 C SER A 95 -3.891 9.435 20.134 1.00 48.37 C ATOM 792 O SER A 95 -3.457 9.282 18.994 1.00 47.60 O ATOM 793 CB SER A 95 -4.143 7.935 22.108 1.00 47.95 C ATOM 794 OG SER A 95 -2.735 7.832 21.999 1.00 49.60 O ATOM 0 H SER A 95 -4.214 7.169 19.324 1.00 49.02 H new ATOM 0 HA SER A 95 -5.655 8.725 20.971 1.00 48.63 H new ATOM 0 HB2 SER A 95 -4.370 8.572 22.803 1.00 47.95 H new ATOM 0 HB3 SER A 95 -4.513 7.079 22.375 1.00 47.95 H new ATOM 0 HG SER A 95 -2.510 7.023 22.031 1.00 49.60 H new ATOM 795 N AARG A 96 -3.630 10.507 20.875 0.46 48.08 N ATOM 796 N BARG A 96 -3.631 10.511 20.865 0.54 48.01 N ATOM 797 CA AARG A 96 -2.801 11.602 20.389 0.46 48.46 C ATOM 798 CA BARG A 96 -2.806 11.595 20.351 0.54 48.44 C ATOM 799 C AARG A 96 -1.362 11.175 20.136 0.46 47.37 C ATOM 800 C BARG A 96 -1.370 11.154 20.097 0.54 47.31 C ATOM 801 O AARG A 96 -0.613 11.869 19.450 0.46 48.29 O ATOM 802 O BARG A 96 -0.632 11.816 19.370 0.54 48.27 O ATOM 803 CB AARG A 96 -2.813 12.753 21.398 0.46 50.17 C ATOM 804 CB BARG A 96 -2.806 12.770 21.335 0.54 50.23 C ATOM 805 CG AARG A 96 -3.934 13.757 21.189 0.46 52.27 C ATOM 806 CG BARG A 96 -4.108 13.607 21.354 0.54 52.47 C ATOM 807 CD AARG A 96 -3.631 14.657 19.990 0.46 53.98 C ATOM 808 CD BARG A 96 -5.350 12.747 21.591 0.54 54.17 C ATOM 809 NE AARG A 96 -4.740 15.550 19.672 0.46 55.28 N ATOM 810 NE BARG A 96 -6.222 12.735 20.421 0.54 56.73 N ATOM 811 CZ AARG A 96 -5.925 15.138 19.234 0.46 56.12 C ATOM 812 CZ BARG A 96 -7.354 12.043 20.335 0.54 57.57 C ATOM 813 NH1AARG A 96 -6.156 13.843 19.061 0.46 56.70 N ATOM 814 NH1BARG A 96 -7.760 11.298 21.355 0.54 57.41 N ATOM 815 NH2AARG A 96 -6.878 16.020 18.966 0.46 56.58 N ATOM 816 NH2BARG A 96 -8.083 12.099 19.229 0.54 57.74 N ATOM 0 H AARG A 96 -3.929 10.619 21.674 0.46 48.01 H new ATOM 0 H BARG A 96 -3.924 10.633 21.664 0.54 48.01 H new ATOM 0 HA AARG A 96 -3.178 11.889 19.543 0.46 48.44 H new ATOM 0 HA BARG A 96 -3.191 11.868 19.504 0.54 48.44 H new ATOM 0 HB2AARG A 96 -2.886 12.384 22.292 0.46 50.23 H new ATOM 0 HB2BARG A 96 -2.645 12.427 22.228 0.54 50.23 H new ATOM 0 HB3AARG A 96 -1.963 13.219 21.352 0.46 50.23 H new ATOM 0 HB3BARG A 96 -2.064 13.356 21.118 0.54 50.23 H new ATOM 0 HG2AARG A 96 -4.772 13.289 21.046 0.46 52.47 H new ATOM 0 HG2BARG A 96 -4.046 14.281 22.049 0.54 52.47 H new ATOM 0 HG3AARG A 96 -4.044 14.298 21.987 0.46 52.47 H new ATOM 0 HG3BARG A 96 -4.199 14.077 20.511 0.54 52.47 H new ATOM 0 HD2AARG A 96 -2.838 15.184 20.176 0.46 54.17 H new ATOM 0 HD2BARG A 96 -5.081 11.840 21.805 0.54 54.17 H new ATOM 0 HD3AARG A 96 -3.431 14.106 19.217 0.46 54.17 H new ATOM 0 HD3BARG A 96 -5.839 13.086 22.357 0.54 54.17 H new ATOM 0 HE AARG A 96 -4.619 16.395 19.774 0.46 56.73 H new ATOM 0 HE BARG A 96 -5.988 13.207 19.741 0.54 56.73 H new ATOM 0 HH11AARG A 96 -5.539 13.269 19.232 0.46 57.41 H new ATOM 0 HH11BARG A 96 -7.291 11.262 22.075 0.54 57.41 H new ATOM 0 HH12AARG A 96 -6.923 13.577 18.778 0.46 57.41 H new ATOM 0 HH12BARG A 96 -8.493 10.851 21.297 0.54 57.41 H new ATOM 0 HH21AARG A 96 -6.730 16.860 19.076 0.46 57.74 H new ATOM 0 HH21BARG A 96 -7.824 12.583 18.567 0.54 57.74 H new ATOM 0 HH22AARG A 96 -7.644 15.752 18.683 0.46 57.74 H new ATOM 0 HH22BARG A 96 -8.815 11.651 19.173 0.54 57.74 H new ATOM 817 N THR A 97 -0.976 10.028 20.683 1.00 46.04 N ATOM 818 CA THR A 97 0.388 9.550 20.525 1.00 45.11 C ATOM 819 C THR A 97 0.618 8.198 19.863 1.00 42.17 C ATOM 820 O THR A 97 1.728 7.924 19.405 1.00 39.64 O ATOM 821 CB THR A 97 1.087 9.508 21.885 1.00 46.32 C ATOM 822 OG1 THR A 97 0.431 8.550 22.726 1.00 49.75 O ATOM 823 CG2 THR A 97 1.034 10.874 22.546 1.00 48.30 C ATOM 0 H ATHR A 97 -1.487 9.515 21.147 0.46 46.04 H new ATOM 0 H BTHR A 97 -1.480 9.531 21.172 0.54 46.04 H new ATOM 0 HA THR A 97 0.753 10.198 19.903 1.00 45.11 H new ATOM 0 HB THR A 97 2.014 9.255 21.755 1.00 46.32 H new ATOM 0 HG1 THR A 97 0.814 8.524 23.473 1.00 49.75 H new ATOM 0 HG21 THR A 97 1.480 10.835 23.407 1.00 48.30 H new ATOM 0 HG22 THR A 97 1.479 11.525 21.981 1.00 48.30 H new ATOM 0 HG23 THR A 97 0.109 11.136 22.673 1.00 48.30 H new ATOM 824 N HIS A 98 -0.402 7.352 19.807 1.00 37.55 N ATOM 825 CA HIS A 98 -0.200 6.033 19.225 1.00 36.89 C ATOM 826 C HIS A 98 -1.353 5.544 18.373 1.00 35.26 C ATOM 827 O HIS A 98 -2.484 6.025 18.475 1.00 35.45 O ATOM 828 CB HIS A 98 0.036 5.015 20.338 1.00 39.72 C ATOM 829 CG HIS A 98 -1.216 4.635 21.062 1.00 43.83 C ATOM 830 ND1 HIS A 98 -1.864 5.226 22.089 1.00 46.63 N flip ATOM 831 CD2 HIS A 98 -2.010 3.577 20.666 1.00 46.02 C flip ATOM 832 CE1 HIS A 98 -3.033 4.531 22.291 1.00 46.37 C flip ATOM 833 NE2 HIS A 98 -3.093 3.541 21.418 1.00 48.46 N flip ATOM 0 H HIS A 98 -1.197 7.515 20.091 1.00 37.55 H new ATOM 0 HA HIS A 98 0.569 6.119 18.640 1.00 36.89 H new ATOM 0 HB2 HIS A 98 0.439 4.218 19.959 1.00 39.72 H new ATOM 0 HB3 HIS A 98 0.672 5.380 20.973 1.00 39.72 H new ATOM 0 HD2 HIS A 98 -1.812 2.984 19.978 1.00 46.02 H new ATOM 0 HE1 HIS A 98 -3.675 4.725 22.935 1.00 46.37 H new ATOM 0 HE2 HIS A 98 -3.732 2.969 21.351 1.00 48.46 H new ATOM 834 N LEU A 99 -1.039 4.565 17.533 1.00 33.04 N ATOM 835 CA LEU A 99 -2.010 3.936 16.664 1.00 33.07 C ATOM 836 C LEU A 99 -1.697 2.450 16.624 1.00 31.88 C ATOM 837 O LEU A 99 -0.563 2.059 16.358 1.00 30.65 O ATOM 838 CB LEU A 99 -1.932 4.510 15.244 1.00 34.16 C ATOM 839 CG LEU A 99 -2.605 3.685 14.142 1.00 37.44 C ATOM 840 CD1 LEU A 99 -4.083 3.522 14.447 0.50 37.90 C ATOM 841 CD2 LEU A 99 -2.405 4.368 12.790 1.00 40.81 C ATOM 0 H LEU A 99 -0.244 4.247 17.454 1.00 33.04 H new ATOM 0 HA LEU A 99 -2.904 4.099 17.003 1.00 33.07 H new ATOM 0 HB2 LEU A 99 -2.332 5.394 15.250 1.00 34.16 H new ATOM 0 HB3 LEU A 99 -0.997 4.623 15.012 1.00 34.16 H new ATOM 0 HG LEU A 99 -2.200 2.804 14.107 1.00 37.44 H new ATOM 0 HD11 LEU A 99 -4.503 2.999 13.746 0.50 37.90 H new ATOM 0 HD12 LEU A 99 -4.190 3.067 15.297 0.50 37.90 H new ATOM 0 HD13 LEU A 99 -4.502 4.395 14.493 0.50 37.90 H new ATOM 0 HD21 LEU A 99 -2.832 3.843 12.096 1.00 40.81 H new ATOM 0 HD22 LEU A 99 -2.799 5.254 12.813 1.00 40.81 H new ATOM 0 HD23 LEU A 99 -1.456 4.442 12.602 1.00 40.81 H new ATOM 842 N VAL A 100 -2.696 1.629 16.924 1.00 31.57 N ATOM 843 CA VAL A 100 -2.535 0.183 16.864 1.00 31.21 C ATOM 844 C VAL A 100 -3.543 -0.238 15.810 1.00 31.87 C ATOM 845 O VAL A 100 -4.734 0.033 15.944 1.00 33.63 O ATOM 846 CB VAL A 100 -2.875 -0.495 18.206 1.00 31.40 C ATOM 847 CG1 VAL A 100 -2.782 -2.010 18.055 1.00 34.12 C ATOM 848 CG2 VAL A 100 -1.910 -0.022 19.280 1.00 33.21 C ATOM 0 H VAL A 100 -3.479 1.891 17.166 1.00 31.57 H new ATOM 0 HA VAL A 100 -1.620 -0.071 16.664 1.00 31.21 H new ATOM 0 HB VAL A 100 -3.779 -0.256 18.465 1.00 31.40 H new ATOM 0 HG11 VAL A 100 -2.996 -2.433 18.901 1.00 34.12 H new ATOM 0 HG12 VAL A 100 -3.409 -2.307 17.377 1.00 34.12 H new ATOM 0 HG13 VAL A 100 -1.881 -2.254 17.791 1.00 34.12 H new ATOM 0 HG21 VAL A 100 -2.128 -0.451 20.122 1.00 33.21 H new ATOM 0 HG22 VAL A 100 -1.003 -0.253 19.025 1.00 33.21 H new ATOM 0 HG23 VAL A 100 -1.982 0.940 19.379 1.00 33.21 H new ATOM 849 N ALA A 101 -3.075 -0.886 14.750 1.00 32.23 N ATOM 850 CA ALA A 101 -3.977 -1.276 13.683 1.00 32.37 C ATOM 851 C ALA A 101 -3.833 -2.715 13.240 1.00 33.12 C ATOM 852 O ALA A 101 -2.824 -3.372 13.504 1.00 31.29 O ATOM 853 CB ALA A 101 -3.786 -0.353 12.489 1.00 34.66 C ATOM 0 H ALA A 101 -2.252 -1.105 14.632 1.00 32.23 H new ATOM 0 HA ALA A 101 -4.873 -1.195 14.047 1.00 32.37 H new ATOM 0 HB1 ALA A 101 -4.390 -0.616 11.777 1.00 34.66 H new ATOM 0 HB2 ALA A 101 -3.976 0.561 12.753 1.00 34.66 H new ATOM 0 HB3 ALA A 101 -2.870 -0.415 12.175 1.00 34.66 H new ATOM 854 N HIS A 102 -4.869 -3.182 12.554 1.00 32.89 N ATOM 855 CA HIS A 102 -4.942 -4.530 12.023 1.00 34.58 C ATOM 856 C HIS A 102 -5.258 -4.389 10.535 1.00 35.14 C ATOM 857 O HIS A 102 -6.219 -3.709 10.166 1.00 35.56 O ATOM 858 CB HIS A 102 -6.070 -5.287 12.729 1.00 36.59 C ATOM 859 CG HIS A 102 -6.421 -6.596 12.094 1.00 38.63 C ATOM 860 ND1 HIS A 102 -7.667 -7.169 12.226 1.00 40.55 N ATOM 861 CD2 HIS A 102 -5.690 -7.451 11.341 1.00 39.40 C ATOM 862 CE1 HIS A 102 -7.689 -8.323 11.581 1.00 40.68 C ATOM 863 NE2 HIS A 102 -6.502 -8.517 11.036 1.00 40.76 N ATOM 0 H HIS A 102 -5.566 -2.709 12.382 1.00 32.89 H new ATOM 0 HA HIS A 102 -4.115 -5.018 12.159 1.00 34.58 H new ATOM 0 HB2 HIS A 102 -5.813 -5.445 13.651 1.00 36.59 H new ATOM 0 HB3 HIS A 102 -6.861 -4.726 12.747 1.00 36.59 H new ATOM 0 HD2 HIS A 102 -4.805 -7.338 11.079 1.00 39.40 H new ATOM 0 HE1 HIS A 102 -8.416 -8.900 11.521 1.00 40.68 H new ATOM 0 HE2 HIS A 102 -6.274 -9.200 10.566 1.00 40.76 H new ATOM 864 N ASN A 103 -4.453 -5.015 9.682 1.00 33.35 N ATOM 865 CA ASN A 103 -4.688 -4.935 8.244 1.00 33.50 C ATOM 866 C ASN A 103 -4.777 -6.307 7.583 1.00 34.49 C ATOM 867 O ASN A 103 -3.988 -7.206 7.873 1.00 33.67 O ATOM 868 CB ASN A 103 -3.581 -4.116 7.572 1.00 34.36 C ATOM 869 CG ASN A 103 -3.775 -3.987 6.067 1.00 35.34 C ATOM 870 OD1 ASN A 103 -4.671 -3.099 5.665 1.00 34.75 O flip ATOM 871 ND2 ASN A 103 -3.130 -4.678 5.279 1.00 36.89 N flip ATOM 0 H ASN A 103 -3.772 -5.487 9.912 1.00 33.35 H new ATOM 0 HA ASN A 103 -5.546 -4.499 8.126 1.00 33.50 H new ATOM 0 HB2 ASN A 103 -3.554 -3.231 7.968 1.00 34.36 H new ATOM 0 HB3 ASN A 103 -2.723 -4.533 7.749 1.00 34.36 H new ATOM 0 HD21 ASN A 103 -2.556 -5.245 5.575 1.00 36.89 H new ATOM 0 HD22 ASN A 103 -3.254 -4.593 4.432 1.00 36.89 H new ATOM 872 N ILE A 104 -5.763 -6.466 6.705 1.00 33.88 N ATOM 873 CA ILE A 104 -5.927 -7.713 5.974 1.00 35.59 C ATOM 874 C ILE A 104 -5.602 -7.405 4.520 1.00 35.48 C ATOM 875 O ILE A 104 -6.209 -6.526 3.910 1.00 35.33 O ATOM 876 CB ILE A 104 -7.369 -8.253 6.074 1.00 37.15 C ATOM 877 CG1 ILE A 104 -7.721 -8.509 7.542 1.00 41.16 C ATOM 878 CG2 ILE A 104 -7.496 -9.559 5.285 1.00 38.74 C ATOM 879 CD1 ILE A 104 -9.138 -8.991 7.761 1.00 43.28 C ATOM 0 H ILE A 104 -6.347 -5.862 6.520 1.00 33.88 H new ATOM 0 HA ILE A 104 -5.344 -8.393 6.346 1.00 35.59 H new ATOM 0 HB ILE A 104 -7.978 -7.596 5.703 1.00 37.15 H new ATOM 0 HG12 ILE A 104 -7.106 -9.167 7.902 1.00 41.16 H new ATOM 0 HG13 ILE A 104 -7.587 -7.690 8.045 1.00 41.16 H new ATOM 0 HG21 ILE A 104 -8.405 -9.891 5.353 1.00 38.74 H new ATOM 0 HG22 ILE A 104 -7.280 -9.397 4.353 1.00 38.74 H new ATOM 0 HG23 ILE A 104 -6.883 -10.218 5.648 1.00 38.74 H new ATOM 0 HD11 ILE A 104 -9.289 -9.132 8.709 1.00 43.28 H new ATOM 0 HD12 ILE A 104 -9.761 -8.326 7.430 1.00 43.28 H new ATOM 0 HD13 ILE A 104 -9.273 -9.825 7.285 1.00 43.28 H new ATOM 880 N ASN A 105 -4.616 -8.109 3.981 1.00 36.41 N ATOM 881 CA ASN A 105 -4.206 -7.912 2.604 1.00 37.09 C ATOM 882 C ASN A 105 -4.395 -9.196 1.806 1.00 38.76 C ATOM 883 O ASN A 105 -4.132 -10.293 2.296 1.00 38.97 O ATOM 884 CB ASN A 105 -2.739 -7.472 2.553 1.00 38.19 C ATOM 885 CG ASN A 105 -2.168 -7.481 1.142 1.00 35.64 C ATOM 886 OD1 ASN A 105 -1.646 -8.495 0.682 1.00 37.33 O ATOM 887 ND2 ASN A 105 -2.272 -6.353 0.450 1.00 37.78 N ATOM 0 H ASN A 105 -4.169 -8.711 4.402 1.00 36.41 H new ATOM 0 HA ASN A 105 -4.758 -7.218 2.210 1.00 37.09 H new ATOM 0 HB2 ASN A 105 -2.661 -6.579 2.923 1.00 38.19 H new ATOM 0 HB3 ASN A 105 -2.210 -8.059 3.115 1.00 38.19 H new ATOM 0 HD21 ASN A 105 -1.968 -6.312 -0.353 1.00 37.78 H new ATOM 0 HD22 ASN A 105 -2.644 -5.663 0.805 1.00 37.78 H new ATOM 888 N VAL A 106 -4.878 -9.042 0.580 1.00 39.71 N ATOM 889 CA VAL A 106 -5.088 -10.165 -0.325 1.00 39.35 C ATOM 890 C VAL A 106 -4.301 -9.780 -1.566 1.00 38.85 C ATOM 891 O VAL A 106 -4.640 -8.801 -2.231 1.00 39.07 O ATOM 892 CB VAL A 106 -6.583 -10.325 -0.689 1.00 41.52 C ATOM 893 CG1 VAL A 106 -6.769 -11.499 -1.640 1.00 42.97 C ATOM 894 CG2 VAL A 106 -7.406 -10.533 0.575 1.00 41.84 C ATOM 0 H VAL A 106 -5.095 -8.279 0.247 1.00 39.71 H new ATOM 0 HA VAL A 106 -4.810 -11.006 0.069 1.00 39.35 H new ATOM 0 HB VAL A 106 -6.888 -9.517 -1.131 1.00 41.52 H new ATOM 0 HG11 VAL A 106 -7.709 -11.590 -1.862 1.00 42.97 H new ATOM 0 HG12 VAL A 106 -6.260 -11.343 -2.451 1.00 42.97 H new ATOM 0 HG13 VAL A 106 -6.457 -12.313 -1.215 1.00 42.97 H new ATOM 0 HG21 VAL A 106 -8.342 -10.632 0.339 1.00 41.84 H new ATOM 0 HG22 VAL A 106 -7.101 -11.333 1.032 1.00 41.84 H new ATOM 0 HG23 VAL A 106 -7.300 -9.767 1.160 1.00 41.84 H new ATOM 895 N ASP A 107 -3.236 -10.522 -1.866 1.00 39.92 N ATOM 896 CA ASP A 107 -2.415 -10.196 -3.026 1.00 43.27 C ATOM 897 C ASP A 107 -3.007 -10.660 -4.352 1.00 44.83 C ATOM 898 O ASP A 107 -4.114 -11.197 -4.398 1.00 45.72 O ATOM 899 CB ASP A 107 -0.992 -10.751 -2.868 1.00 44.91 C ATOM 900 CG ASP A 107 -0.956 -12.261 -2.733 1.00 46.92 C ATOM 901 OD1 ASP A 107 -1.879 -12.942 -3.234 1.00 46.15 O ATOM 902 OD2 ASP A 107 0.017 -12.769 -2.135 1.00 47.38 O ATOM 0 H ASP A 107 -2.976 -11.208 -1.417 1.00 39.92 H new ATOM 0 HA ASP A 107 -2.388 -9.227 -3.057 1.00 43.27 H new ATOM 0 HB2 ASP A 107 -0.460 -10.487 -3.635 1.00 44.91 H new ATOM 0 HB3 ASP A 107 -0.579 -10.352 -2.086 1.00 44.91 H new ATOM 903 N LYS A 108 -2.257 -10.438 -5.427 1.00 47.62 N ATOM 904 CA LYS A 108 -2.690 -10.799 -6.774 1.00 50.30 C ATOM 905 C LYS A 108 -2.918 -12.294 -6.989 1.00 50.97 C ATOM 906 O LYS A 108 -3.459 -12.696 -8.019 1.00 51.65 O ATOM 907 CB LYS A 108 -1.679 -10.274 -7.798 1.00 51.68 C ATOM 908 CG LYS A 108 -0.220 -10.578 -7.449 1.00 54.03 C ATOM 909 CD LYS A 108 0.752 -9.884 -8.422 1.00 54.50 C ATOM 910 CE LYS A 108 2.210 -10.191 -8.062 0.00 54.56 C ATOM 911 NZ LYS A 108 3.165 -9.468 -8.947 0.00 54.71 N ATOM 0 H LYS A 108 -1.479 -10.072 -5.396 1.00 47.62 H new ATOM 0 HA LYS A 108 -3.557 -10.381 -6.896 1.00 50.30 H new ATOM 0 HB2 LYS A 108 -1.881 -10.660 -8.665 1.00 51.68 H new ATOM 0 HB3 LYS A 108 -1.788 -9.314 -7.883 1.00 51.68 H new ATOM 0 HG2 LYS A 108 -0.036 -10.286 -6.543 1.00 54.03 H new ATOM 0 HG3 LYS A 108 -0.074 -11.537 -7.473 1.00 54.03 H new ATOM 0 HD2 LYS A 108 0.571 -10.178 -9.328 1.00 54.50 H new ATOM 0 HD3 LYS A 108 0.606 -8.925 -8.400 1.00 54.50 H new ATOM 0 HE2 LYS A 108 2.374 -9.943 -7.139 0.00 54.56 H new ATOM 0 HE3 LYS A 108 2.366 -11.146 -8.131 0.00 54.56 H new ATOM 0 HZ1 LYS A 108 3.999 -9.669 -8.711 0.00 54.71 H new ATOM 0 HZ2 LYS A 108 3.030 -9.712 -9.792 0.00 54.71 H new ATOM 0 HZ3 LYS A 108 3.038 -8.591 -8.868 0.00 54.71 H new ATOM 912 N HIS A 109 -2.515 -13.114 -6.023 1.00 49.83 N ATOM 913 CA HIS A 109 -2.695 -14.556 -6.137 1.00 49.45 C ATOM 914 C HIS A 109 -3.747 -15.066 -5.157 1.00 49.18 C ATOM 915 O HIS A 109 -3.867 -16.271 -4.926 1.00 48.18 O ATOM 916 CB HIS A 109 -1.367 -15.280 -5.898 1.00 50.34 C ATOM 917 CG HIS A 109 -0.303 -14.928 -6.886 1.00 50.93 C ATOM 918 ND1 HIS A 109 -0.501 -14.988 -8.249 1.00 51.48 N ATOM 919 CD2 HIS A 109 0.979 -14.523 -6.714 1.00 51.03 C ATOM 920 CE1 HIS A 109 0.607 -14.635 -8.872 1.00 51.14 C ATOM 921 NE2 HIS A 109 1.522 -14.348 -7.961 1.00 52.11 N ATOM 0 H HIS A 109 -2.136 -12.856 -5.295 1.00 49.83 H new ATOM 0 HA HIS A 109 -3.004 -14.743 -7.037 1.00 49.45 H new ATOM 0 HB2 HIS A 109 -1.050 -15.071 -5.005 1.00 50.34 H new ATOM 0 HB3 HIS A 109 -1.520 -16.237 -5.927 1.00 50.34 H new ATOM 0 HD2 HIS A 109 1.410 -14.389 -5.901 1.00 51.03 H new ATOM 0 HE1 HIS A 109 0.725 -14.595 -9.794 1.00 51.14 H new ATOM 0 HE2 HIS A 109 2.327 -14.093 -8.124 1.00 52.11 H new ATOM 922 N GLY A 110 -4.505 -14.137 -4.582 1.00 47.84 N ATOM 923 CA GLY A 110 -5.546 -14.503 -3.638 1.00 47.11 C ATOM 924 C GLY A 110 -5.032 -14.884 -2.264 1.00 46.65 C ATOM 925 O GLY A 110 -5.804 -15.315 -1.411 1.00 47.25 O ATOM 0 H GLY A 110 -4.430 -13.293 -4.727 1.00 47.84 H new ATOM 0 HA2 GLY A 110 -6.162 -13.759 -3.547 1.00 47.11 H new ATOM 0 HA3 GLY A 110 -6.051 -15.247 -4.001 1.00 47.11 H new ATOM 926 N GLN A 111 -3.731 -14.724 -2.045 1.00 46.09 N ATOM 927 CA GLN A 111 -3.132 -15.063 -0.759 1.00 45.37 C ATOM 928 C GLN A 111 -3.530 -14.027 0.289 1.00 43.22 C ATOM 929 O GLN A 111 -3.378 -12.827 0.075 1.00 41.60 O ATOM 930 CB GLN A 111 -1.607 -15.118 -0.883 1.00 46.84 C ATOM 931 CG GLN A 111 -1.110 -15.869 -2.137 1.00 49.99 C ATOM 932 CD GLN A 111 0.388 -16.111 -2.126 1.00 51.18 C ATOM 933 OE1 GLN A 111 0.878 -17.012 -1.442 1.00 51.23 O ATOM 934 NE2 GLN A 111 1.127 -15.302 -2.883 1.00 51.02 N ATOM 0 H GLN A 111 -3.177 -14.420 -2.629 1.00 46.09 H new ATOM 0 HA GLN A 111 -3.456 -15.935 -0.484 1.00 45.37 H new ATOM 0 HB2 GLN A 111 -1.259 -14.213 -0.900 1.00 46.84 H new ATOM 0 HB3 GLN A 111 -1.242 -15.547 -0.093 1.00 46.84 H new ATOM 0 HG2 GLN A 111 -1.570 -16.721 -2.202 1.00 49.99 H new ATOM 0 HG3 GLN A 111 -1.345 -15.359 -2.928 1.00 49.99 H new ATOM 0 HE21 GLN A 111 0.750 -14.684 -3.347 1.00 51.02 H new ATOM 0 HE22 GLN A 111 1.981 -15.398 -2.908 1.00 51.02 H new ATOM 935 N THR A 112 -4.041 -14.504 1.418 1.00 41.94 N ATOM 936 CA THR A 112 -4.470 -13.631 2.503 1.00 41.68 C ATOM 937 C THR A 112 -3.388 -13.500 3.578 1.00 39.84 C ATOM 938 O THR A 112 -2.843 -14.493 4.046 1.00 39.47 O ATOM 939 CB THR A 112 -5.761 -14.172 3.156 1.00 42.22 C ATOM 940 OG1 THR A 112 -6.794 -14.261 2.168 0.20 43.64 O ATOM 941 CG2 THR A 112 -6.222 -13.256 4.274 1.00 45.54 C ATOM 0 H THR A 112 -4.149 -15.342 1.577 1.00 41.94 H new ATOM 0 HA THR A 112 -4.637 -12.757 2.118 1.00 41.68 H new ATOM 0 HB THR A 112 -5.575 -15.049 3.526 1.00 42.22 H new ATOM 0 HG1 THR A 112 -7.496 -14.557 2.522 0.20 43.64 H new ATOM 0 HG21 THR A 112 -7.032 -13.612 4.671 1.00 45.54 H new ATOM 0 HG22 THR A 112 -5.530 -13.198 4.951 1.00 45.54 H new ATOM 0 HG23 THR A 112 -6.399 -12.372 3.916 1.00 45.54 H new ATOM 942 N THR A 113 -3.079 -12.266 3.962 1.00 39.06 N ATOM 943 CA THR A 113 -2.073 -12.013 4.989 1.00 36.90 C ATOM 944 C THR A 113 -2.642 -11.037 6.004 1.00 35.77 C ATOM 945 O THR A 113 -3.188 -10.003 5.623 1.00 36.01 O ATOM 946 CB THR A 113 -0.799 -11.372 4.400 1.00 38.66 C ATOM 947 OG1 THR A 113 -0.237 -12.227 3.397 1.00 37.24 O ATOM 948 CG2 THR A 113 0.237 -11.141 5.502 1.00 36.61 C ATOM 0 H THR A 113 -3.443 -11.557 3.638 1.00 39.06 H new ATOM 0 HA THR A 113 -1.844 -12.866 5.391 1.00 36.90 H new ATOM 0 HB THR A 113 -1.040 -10.521 4.003 1.00 38.66 H new ATOM 0 HG1 THR A 113 -0.537 -12.010 2.643 1.00 37.24 H new ATOM 0 HG21 THR A 113 1.032 -10.738 5.120 1.00 36.61 H new ATOM 0 HG22 THR A 113 -0.133 -10.549 6.175 1.00 36.61 H new ATOM 0 HG23 THR A 113 0.470 -11.989 5.911 1.00 36.61 H new ATOM 949 N GLU A 114 -2.542 -11.365 7.288 1.00 32.77 N ATOM 950 CA GLU A 114 -3.027 -10.454 8.317 1.00 33.01 C ATOM 951 C GLU A 114 -1.815 -9.821 8.990 1.00 32.00 C ATOM 952 O GLU A 114 -0.850 -10.506 9.330 1.00 30.49 O ATOM 953 CB GLU A 114 -3.888 -11.186 9.346 1.00 34.71 C ATOM 954 CG GLU A 114 -5.093 -11.905 8.725 1.00 37.22 C ATOM 955 CD GLU A 114 -6.263 -12.032 9.677 1.00 40.76 C ATOM 956 OE1 GLU A 114 -7.036 -13.003 9.540 1.00 46.05 O ATOM 957 OE2 GLU A 114 -6.427 -11.159 10.553 1.00 41.08 O ATOM 0 H GLU A 114 -2.202 -12.099 7.581 1.00 32.77 H new ATOM 0 HA GLU A 114 -3.586 -9.772 7.912 1.00 33.01 H new ATOM 0 HB2 GLU A 114 -3.340 -11.834 9.816 1.00 34.71 H new ATOM 0 HB3 GLU A 114 -4.204 -10.549 10.006 1.00 34.71 H new ATOM 0 HG2 GLU A 114 -5.378 -11.423 7.933 1.00 37.22 H new ATOM 0 HG3 GLU A 114 -4.821 -12.790 8.435 1.00 37.22 H new ATOM 958 N LEU A 115 -1.862 -8.506 9.159 1.00 31.53 N ATOM 959 CA LEU A 115 -0.758 -7.789 9.775 1.00 31.98 C ATOM 960 C LEU A 115 -1.248 -6.944 10.933 1.00 31.24 C ATOM 961 O LEU A 115 -2.396 -6.496 10.948 1.00 32.22 O ATOM 962 CB LEU A 115 -0.072 -6.878 8.749 1.00 32.85 C ATOM 963 CG LEU A 115 0.521 -7.522 7.489 1.00 35.70 C ATOM 964 CD1 LEU A 115 -0.416 -7.294 6.304 1.00 36.80 C ATOM 965 CD2 LEU A 115 1.889 -6.916 7.194 1.00 35.44 C ATOM 0 H LEU A 115 -2.525 -8.011 8.923 1.00 31.53 H new ATOM 0 HA LEU A 115 -0.124 -8.446 10.102 1.00 31.98 H new ATOM 0 HB2 LEU A 115 -0.718 -6.212 8.465 1.00 32.85 H new ATOM 0 HB3 LEU A 115 0.642 -6.405 9.204 1.00 32.85 H new ATOM 0 HG LEU A 115 0.622 -8.476 7.635 1.00 35.70 H new ATOM 0 HD11 LEU A 115 -0.038 -7.702 5.509 1.00 36.80 H new ATOM 0 HD12 LEU A 115 -1.280 -7.693 6.493 1.00 36.80 H new ATOM 0 HD13 LEU A 115 -0.526 -6.342 6.157 1.00 36.80 H new ATOM 0 HD21 LEU A 115 2.260 -7.326 6.397 1.00 35.44 H new ATOM 0 HD22 LEU A 115 1.796 -5.961 7.052 1.00 35.44 H new ATOM 0 HD23 LEU A 115 2.482 -7.075 7.945 1.00 35.44 H new ATOM 966 N THR A 116 -0.373 -6.747 11.912 1.00 29.77 N ATOM 967 CA THR A 116 -0.688 -5.920 13.067 1.00 30.08 C ATOM 968 C THR A 116 0.416 -4.880 13.126 1.00 29.37 C ATOM 969 O THR A 116 1.529 -5.122 12.662 1.00 28.56 O ATOM 970 CB THR A 116 -0.679 -6.717 14.382 1.00 29.76 C ATOM 971 OG1 THR A 116 0.578 -7.391 14.525 1.00 31.57 O ATOM 972 CG2 THR A 116 -1.818 -7.718 14.403 1.00 30.69 C ATOM 0 H THR A 116 0.417 -7.088 11.925 1.00 29.77 H new ATOM 0 HA THR A 116 -1.577 -5.544 12.973 1.00 30.08 H new ATOM 0 HB THR A 116 -0.799 -6.104 15.124 1.00 29.76 H new ATOM 0 HG1 THR A 116 0.703 -7.582 15.333 1.00 31.57 H new ATOM 0 HG21 THR A 116 -1.799 -8.212 15.237 1.00 30.69 H new ATOM 0 HG22 THR A 116 -2.663 -7.248 14.325 1.00 30.69 H new ATOM 0 HG23 THR A 116 -1.721 -8.334 13.660 1.00 30.69 H new ATOM 973 N GLY A 117 0.114 -3.723 13.694 1.00 28.17 N ATOM 974 CA GLY A 117 1.129 -2.696 13.759 1.00 29.80 C ATOM 975 C GLY A 117 0.942 -1.686 14.860 1.00 29.71 C ATOM 976 O GLY A 117 -0.176 -1.429 15.321 1.00 29.13 O ATOM 0 H GLY A 117 -0.648 -3.519 14.037 1.00 28.17 H new ATOM 0 HA2 GLY A 117 1.994 -3.121 13.872 1.00 29.80 H new ATOM 0 HA3 GLY A 117 1.152 -2.228 12.910 1.00 29.80 H new ATOM 977 N LEU A 118 2.068 -1.132 15.296 1.00 27.57 N ATOM 978 CA LEU A 118 2.086 -0.105 16.320 1.00 26.80 C ATOM 979 C LEU A 118 2.858 1.056 15.717 1.00 27.37 C ATOM 980 O LEU A 118 3.986 0.884 15.256 1.00 26.59 O ATOM 981 CB LEU A 118 2.806 -0.596 17.583 1.00 27.73 C ATOM 982 CG LEU A 118 3.070 0.510 18.609 1.00 30.55 C ATOM 983 CD1 LEU A 118 1.740 1.112 19.051 1.00 32.05 C ATOM 984 CD2 LEU A 118 3.831 -0.053 19.800 1.00 32.41 C ATOM 0 H LEU A 118 2.847 -1.346 15.001 1.00 27.57 H new ATOM 0 HA LEU A 118 1.185 0.141 16.581 1.00 26.80 H new ATOM 0 HB2 LEU A 118 2.274 -1.292 17.999 1.00 27.73 H new ATOM 0 HB3 LEU A 118 3.651 -0.999 17.328 1.00 27.73 H new ATOM 0 HG LEU A 118 3.613 1.206 18.207 1.00 30.55 H new ATOM 0 HD11 LEU A 118 1.902 1.813 19.701 1.00 32.05 H new ATOM 0 HD12 LEU A 118 1.282 1.485 18.282 1.00 32.05 H new ATOM 0 HD13 LEU A 118 1.189 0.421 19.452 1.00 32.05 H new ATOM 0 HD21 LEU A 118 3.994 0.654 20.444 1.00 32.41 H new ATOM 0 HD22 LEU A 118 3.307 -0.755 20.217 1.00 32.41 H new ATOM 0 HD23 LEU A 118 4.678 -0.417 19.500 1.00 32.41 H new ATOM 985 N PHE A 119 2.246 2.232 15.711 1.00 26.94 N ATOM 986 CA PHE A 119 2.887 3.428 15.179 1.00 28.27 C ATOM 987 C PHE A 119 2.812 4.523 16.231 1.00 29.49 C ATOM 988 O PHE A 119 1.857 4.581 17.001 1.00 30.54 O ATOM 989 CB PHE A 119 2.179 3.896 13.908 1.00 29.70 C ATOM 990 CG PHE A 119 2.023 2.816 12.883 1.00 30.42 C ATOM 991 CD1 PHE A 119 0.929 1.957 12.924 1.00 30.82 C ATOM 992 CD2 PHE A 119 2.984 2.640 11.892 1.00 31.36 C ATOM 993 CE1 PHE A 119 0.798 0.926 11.999 1.00 31.92 C ATOM 994 CE2 PHE A 119 2.866 1.610 10.959 1.00 29.16 C ATOM 995 CZ PHE A 119 1.767 0.755 11.009 1.00 31.24 C ATOM 0 H PHE A 119 1.451 2.360 16.013 1.00 26.94 H new ATOM 0 HA PHE A 119 3.811 3.228 14.960 1.00 28.27 H new ATOM 0 HB2 PHE A 119 1.303 4.240 14.142 1.00 29.70 H new ATOM 0 HB3 PHE A 119 2.678 4.632 13.520 1.00 29.70 H new ATOM 0 HD1 PHE A 119 0.278 2.073 13.578 1.00 30.82 H new ATOM 0 HD2 PHE A 119 3.713 3.216 11.851 1.00 31.36 H new ATOM 0 HE1 PHE A 119 0.067 0.353 12.040 1.00 31.92 H new ATOM 0 HE2 PHE A 119 3.518 1.494 10.306 1.00 29.16 H new ATOM 0 HZ PHE A 119 1.679 0.072 10.384 1.00 31.24 H new ATOM 996 N VAL A 120 3.826 5.382 16.271 1.00 28.89 N ATOM 997 CA VAL A 120 3.849 6.468 17.241 1.00 30.38 C ATOM 998 C VAL A 120 3.949 7.816 16.536 1.00 31.31 C ATOM 999 O VAL A 120 4.578 7.937 15.486 1.00 29.30 O ATOM 1000 CB VAL A 120 5.035 6.303 18.234 1.00 32.38 C ATOM 1001 CG1 VAL A 120 6.359 6.359 17.494 1.00 34.18 C ATOM 1002 CG2 VAL A 120 4.977 7.384 19.296 1.00 36.64 C ATOM 0 H VAL A 120 4.507 5.353 15.747 1.00 28.89 H new ATOM 0 HA VAL A 120 3.019 6.435 17.742 1.00 30.38 H new ATOM 0 HB VAL A 120 4.962 5.437 18.665 1.00 32.38 H new ATOM 0 HG11 VAL A 120 7.088 6.255 18.126 1.00 34.18 H new ATOM 0 HG12 VAL A 120 6.395 5.644 16.839 1.00 34.18 H new ATOM 0 HG13 VAL A 120 6.442 7.214 17.043 1.00 34.18 H new ATOM 0 HG21 VAL A 120 5.719 7.274 19.911 1.00 36.64 H new ATOM 0 HG22 VAL A 120 5.033 8.256 18.874 1.00 36.64 H new ATOM 0 HG23 VAL A 120 4.141 7.315 19.783 1.00 36.64 H new ATOM 1003 N LYS A 121 3.316 8.834 17.107 1.00 29.72 N ATOM 1004 CA LYS A 121 3.353 10.150 16.494 1.00 32.20 C ATOM 1005 C LYS A 121 4.463 11.014 17.075 1.00 33.17 C ATOM 1006 O LYS A 121 4.768 10.931 18.262 1.00 33.65 O ATOM 1007 CB LYS A 121 2.007 10.865 16.671 1.00 33.75 C ATOM 1008 CG LYS A 121 1.969 12.250 16.003 1.00 34.30 C ATOM 1009 CD LYS A 121 0.619 12.956 16.158 1.00 40.76 C ATOM 1010 CE LYS A 121 0.663 14.343 15.465 1.00 39.99 C ATOM 1011 NZ LYS A 121 -0.617 15.094 15.547 1.00 44.33 N ATOM 0 H LYS A 121 2.866 8.784 17.838 1.00 29.72 H new ATOM 0 HA LYS A 121 3.531 10.019 15.550 1.00 32.20 H new ATOM 0 HB2 LYS A 121 1.302 10.313 16.299 1.00 33.75 H new ATOM 0 HB3 LYS A 121 1.821 10.963 17.618 1.00 33.75 H new ATOM 0 HG2 LYS A 121 2.665 12.807 16.386 1.00 34.30 H new ATOM 0 HG3 LYS A 121 2.171 12.153 15.059 1.00 34.30 H new ATOM 0 HD2 LYS A 121 -0.085 12.414 15.769 1.00 40.76 H new ATOM 0 HD3 LYS A 121 0.407 13.063 17.099 1.00 40.76 H new ATOM 0 HE2 LYS A 121 1.367 14.875 15.868 1.00 39.99 H new ATOM 0 HE3 LYS A 121 0.898 14.222 14.532 1.00 39.99 H new ATOM 0 HZ1 LYS A 121 -0.852 15.370 14.734 1.00 44.33 H new ATOM 0 HZ2 LYS A 121 -1.252 14.564 15.876 1.00 44.33 H new ATOM 0 HZ3 LYS A 121 -0.514 15.799 16.080 1.00 44.33 H new ATOM 1012 N LEU A 122 5.084 11.818 16.222 1.00 33.04 N ATOM 1013 CA LEU A 122 6.127 12.730 16.667 1.00 36.56 C ATOM 1014 C LEU A 122 5.448 14.072 16.865 1.00 36.11 C ATOM 1015 O LEU A 122 5.262 14.828 15.918 1.00 37.49 O ATOM 1016 CB LEU A 122 7.237 12.856 15.629 1.00 37.78 C ATOM 1017 CG LEU A 122 8.228 11.696 15.602 1.00 40.94 C ATOM 1018 CD1 LEU A 122 7.497 10.412 15.252 1.00 44.34 C ATOM 1019 CD2 LEU A 122 9.332 11.988 14.601 1.00 42.55 C ATOM 0 H LEU A 122 4.916 11.851 15.379 1.00 33.04 H new ATOM 0 HA LEU A 122 6.542 12.406 17.481 1.00 36.56 H new ATOM 0 HB2 LEU A 122 6.833 12.939 14.751 1.00 37.78 H new ATOM 0 HB3 LEU A 122 7.725 13.677 15.795 1.00 37.78 H new ATOM 0 HG LEU A 122 8.633 11.589 16.477 1.00 40.94 H new ATOM 0 HD11 LEU A 122 8.127 9.675 15.235 1.00 44.34 H new ATOM 0 HD12 LEU A 122 6.813 10.237 15.917 1.00 44.34 H new ATOM 0 HD13 LEU A 122 7.083 10.503 14.380 1.00 44.34 H new ATOM 0 HD21 LEU A 122 9.960 11.249 14.587 1.00 42.55 H new ATOM 0 HD22 LEU A 122 8.947 12.102 13.718 1.00 42.55 H new ATOM 0 HD23 LEU A 122 9.796 12.800 14.858 1.00 42.55 H new ATOM 1020 N ASN A 123 5.072 14.349 18.106 1.00 37.14 N ATOM 1021 CA ASN A 123 4.387 15.585 18.443 1.00 39.26 C ATOM 1022 C ASN A 123 5.335 16.741 18.729 1.00 37.72 C ATOM 1023 O ASN A 123 6.216 16.634 19.578 1.00 38.18 O ATOM 1024 CB ASN A 123 3.483 15.357 19.658 1.00 43.27 C ATOM 1025 CG ASN A 123 2.379 14.360 19.380 1.00 46.57 C ATOM 1026 OD1 ASN A 123 1.578 14.552 18.467 1.00 50.21 O ATOM 1027 ND2 ASN A 123 2.327 13.291 20.167 1.00 49.33 N ATOM 0 H ASN A 123 5.207 13.826 18.775 1.00 37.14 H new ATOM 0 HA ASN A 123 3.864 15.834 17.665 1.00 39.26 H new ATOM 0 HB2 ASN A 123 4.020 15.042 20.402 1.00 43.27 H new ATOM 0 HB3 ASN A 123 3.091 16.202 19.929 1.00 43.27 H new ATOM 0 HD21 ASN A 123 1.715 12.699 20.048 1.00 49.33 H new ATOM 0 HD22 ASN A 123 2.905 13.191 20.796 1.00 49.33 H new ATOM 1028 N VAL A 124 5.155 17.839 18.004 1.00 36.51 N ATOM 1029 CA VAL A 124 5.972 19.030 18.206 1.00 37.03 C ATOM 1030 C VAL A 124 5.024 20.093 18.747 1.00 36.44 C ATOM 1031 O VAL A 124 4.138 20.568 18.034 1.00 38.28 O ATOM 1032 CB VAL A 124 6.605 19.530 16.888 1.00 38.35 C ATOM 1033 CG1 VAL A 124 7.479 20.747 17.163 1.00 40.11 C ATOM 1034 CG2 VAL A 124 7.433 18.424 16.254 1.00 38.73 C ATOM 0 H VAL A 124 4.561 17.915 17.386 1.00 36.51 H new ATOM 0 HA VAL A 124 6.706 18.836 18.810 1.00 37.03 H new ATOM 0 HB VAL A 124 5.898 19.782 16.273 1.00 38.35 H new ATOM 0 HG11 VAL A 124 7.874 21.057 16.333 1.00 40.11 H new ATOM 0 HG12 VAL A 124 6.938 21.454 17.547 1.00 40.11 H new ATOM 0 HG13 VAL A 124 8.183 20.506 17.785 1.00 40.11 H new ATOM 0 HG21 VAL A 124 7.826 18.747 15.428 1.00 38.73 H new ATOM 0 HG22 VAL A 124 8.138 18.157 16.864 1.00 38.73 H new ATOM 0 HG23 VAL A 124 6.864 17.662 16.065 1.00 38.73 H new ATOM 1035 N GLU A 125 5.205 20.446 20.014 1.00 34.14 N ATOM 1036 CA GLU A 125 4.354 21.431 20.676 1.00 34.34 C ATOM 1037 C GLU A 125 4.663 22.883 20.328 1.00 34.93 C ATOM 1038 O GLU A 125 5.820 23.249 20.103 1.00 33.54 O ATOM 1039 CB GLU A 125 4.448 21.266 22.189 1.00 34.69 C ATOM 1040 CG GLU A 125 3.883 19.987 22.717 1.00 38.84 C ATOM 1041 CD GLU A 125 3.822 19.994 24.225 1.00 41.59 C ATOM 1042 OE1 GLU A 125 3.326 20.994 24.782 1.00 42.85 O ATOM 1043 OE2 GLU A 125 4.264 19.010 24.851 1.00 43.63 O ATOM 0 H GLU A 125 5.824 20.122 20.515 1.00 34.14 H new ATOM 0 HA GLU A 125 3.459 21.252 20.348 1.00 34.34 H new ATOM 0 HB2 GLU A 125 5.380 21.325 22.451 1.00 34.69 H new ATOM 0 HB3 GLU A 125 3.987 22.007 22.612 1.00 34.69 H new ATOM 0 HG2 GLU A 125 2.993 19.851 22.356 1.00 38.84 H new ATOM 0 HG3 GLU A 125 4.428 19.242 22.417 1.00 38.84 H new ATOM 1044 N ASP A 126 3.619 23.710 20.304 1.00 32.74 N ATOM 1045 CA ASP A 126 3.775 25.127 19.995 1.00 34.89 C ATOM 1046 C ASP A 126 4.642 25.859 21.011 1.00 34.78 C ATOM 1047 O ASP A 126 5.400 26.760 20.646 1.00 34.43 O ATOM 1048 CB ASP A 126 2.410 25.818 19.906 1.00 36.51 C ATOM 1049 CG ASP A 126 1.743 25.625 18.556 1.00 40.88 C ATOM 1050 OD1 ASP A 126 0.842 26.427 18.223 1.00 42.58 O ATOM 1051 OD2 ASP A 126 2.107 24.675 17.829 1.00 42.14 O ATOM 0 H ASP A 126 2.810 23.468 20.465 1.00 32.74 H new ATOM 0 HA ASP A 126 4.223 25.169 19.136 1.00 34.89 H new ATOM 0 HB2 ASP A 126 1.830 25.471 20.602 1.00 36.51 H new ATOM 0 HB3 ASP A 126 2.520 26.767 20.076 1.00 36.51 H new ATOM 1052 N GLU A 127 4.529 25.484 22.282 1.00 33.50 N ATOM 1053 CA GLU A 127 5.327 26.123 23.321 1.00 36.72 C ATOM 1054 C GLU A 127 6.814 25.906 23.063 1.00 36.33 C ATOM 1055 O GLU A 127 7.617 26.822 23.213 1.00 36.05 O ATOM 1056 CB GLU A 127 4.979 25.569 24.706 1.00 39.09 C ATOM 1057 CG GLU A 127 3.904 26.347 25.446 1.00 44.75 C ATOM 1058 CD GLU A 127 3.727 25.883 26.879 1.00 46.17 C ATOM 1059 OE1 GLU A 127 3.038 26.587 27.644 1.00 48.55 O ATOM 1060 OE2 GLU A 127 4.270 24.817 27.243 1.00 47.92 O ATOM 0 H GLU A 127 4.000 24.866 22.561 1.00 33.50 H new ATOM 0 HA GLU A 127 5.125 27.071 23.299 1.00 36.72 H new ATOM 0 HB2 GLU A 127 4.687 24.649 24.609 1.00 39.09 H new ATOM 0 HB3 GLU A 127 5.783 25.556 25.248 1.00 39.09 H new ATOM 0 HG2 GLU A 127 4.131 27.290 25.441 1.00 44.75 H new ATOM 0 HG3 GLU A 127 3.061 26.256 24.974 1.00 44.75 H new ATOM 1061 N ASP A 128 7.173 24.690 22.669 1.00 34.35 N ATOM 1062 CA ASP A 128 8.571 24.363 22.408 1.00 35.13 C ATOM 1063 C ASP A 128 9.074 25.010 21.113 1.00 34.57 C ATOM 1064 O ASP A 128 10.233 25.423 21.025 1.00 31.69 O ATOM 1065 CB ASP A 128 8.742 22.842 22.360 1.00 36.31 C ATOM 1066 CG ASP A 128 8.258 22.166 23.631 1.00 40.25 C ATOM 1067 OD1 ASP A 128 8.567 22.674 24.728 1.00 41.54 O ATOM 1068 OD2 ASP A 128 7.575 21.121 23.537 1.00 44.07 O ATOM 0 H ASP A 128 6.624 24.040 22.547 1.00 34.35 H new ATOM 0 HA ASP A 128 9.108 24.723 23.131 1.00 35.13 H new ATOM 0 HB2 ASP A 128 8.252 22.488 21.601 1.00 36.31 H new ATOM 0 HB3 ASP A 128 9.678 22.628 22.219 1.00 36.31 H new ATOM 1069 N LEU A 129 8.207 25.100 20.107 1.00 34.95 N ATOM 1070 CA LEU A 129 8.587 25.733 18.843 1.00 36.02 C ATOM 1071 C LEU A 129 8.872 27.212 19.091 1.00 36.41 C ATOM 1072 O LEU A 129 9.815 27.779 18.534 1.00 35.84 O ATOM 1073 CB LEU A 129 7.463 25.610 17.808 1.00 36.95 C ATOM 1074 CG LEU A 129 7.319 24.302 17.029 1.00 40.76 C ATOM 1075 CD1 LEU A 129 6.015 24.323 16.225 1.00 40.36 C ATOM 1076 CD2 LEU A 129 8.513 24.129 16.106 1.00 39.86 C ATOM 0 H LEU A 129 7.400 24.804 20.134 1.00 34.95 H new ATOM 0 HA LEU A 129 9.376 25.286 18.499 1.00 36.02 H new ATOM 0 HB2 LEU A 129 6.623 25.773 18.265 1.00 36.95 H new ATOM 0 HB3 LEU A 129 7.578 26.325 17.163 1.00 36.95 H new ATOM 0 HG LEU A 129 7.290 23.554 17.646 1.00 40.76 H new ATOM 0 HD11 LEU A 129 5.925 23.493 15.732 1.00 40.36 H new ATOM 0 HD12 LEU A 129 5.263 24.422 16.830 1.00 40.36 H new ATOM 0 HD13 LEU A 129 6.030 25.068 15.604 1.00 40.36 H new ATOM 0 HD21 LEU A 129 8.422 23.299 15.611 1.00 39.86 H new ATOM 0 HD22 LEU A 129 8.552 24.873 15.485 1.00 39.86 H new ATOM 0 HD23 LEU A 129 9.328 24.104 16.632 1.00 39.86 H new ATOM 1077 N GLU A 130 8.048 27.834 19.929 1.00 36.74 N ATOM 1078 CA GLU A 130 8.223 29.244 20.249 1.00 37.53 C ATOM 1079 C GLU A 130 9.544 29.467 20.967 1.00 35.16 C ATOM 1080 O GLU A 130 10.245 30.445 20.704 1.00 35.05 O ATOM 1081 CB GLU A 130 7.070 29.736 21.120 1.00 39.39 C ATOM 1082 CG GLU A 130 5.797 29.997 20.335 1.00 42.85 C ATOM 1083 CD GLU A 130 4.624 30.329 21.230 0.50 41.71 C ATOM 1084 OE1 GLU A 130 4.799 31.139 22.163 0.40 41.32 O ATOM 1085 OE2 GLU A 130 3.527 29.782 20.993 0.50 43.45 O ATOM 0 H GLU A 130 7.382 27.457 20.322 1.00 36.74 H new ATOM 0 HA GLU A 130 8.229 29.747 19.420 1.00 37.53 H new ATOM 0 HB2 GLU A 130 6.889 29.078 21.809 1.00 39.39 H new ATOM 0 HB3 GLU A 130 7.338 30.552 21.571 1.00 39.39 H new ATOM 0 HG2 GLU A 130 5.946 30.729 19.717 1.00 42.85 H new ATOM 0 HG3 GLU A 130 5.583 29.215 19.802 1.00 42.85 H new ATOM 1086 N LYS A 131 9.880 28.553 21.870 1.00 34.90 N ATOM 1087 CA LYS A 131 11.123 28.651 22.622 1.00 33.98 C ATOM 1088 C LYS A 131 12.304 28.561 21.652 1.00 34.12 C ATOM 1089 O LYS A 131 13.282 29.301 21.775 1.00 32.68 O ATOM 1090 CB LYS A 131 11.202 27.517 23.647 1.00 37.44 C ATOM 1091 CG LYS A 131 12.207 27.739 24.750 1.00 43.97 C ATOM 1092 CD LYS A 131 11.749 28.877 25.650 1.00 49.12 C ATOM 1093 CE LYS A 131 12.719 29.134 26.769 1.00 51.10 C ATOM 1094 NZ LYS A 131 12.258 30.293 27.576 1.00 52.43 N ATOM 0 H LYS A 131 9.400 27.866 22.062 1.00 34.90 H new ATOM 0 HA LYS A 131 11.153 29.499 23.092 1.00 33.98 H new ATOM 0 HB2 LYS A 131 10.326 27.393 24.044 1.00 37.44 H new ATOM 0 HB3 LYS A 131 11.423 26.693 23.185 1.00 37.44 H new ATOM 0 HG2 LYS A 131 12.312 26.927 25.270 1.00 43.97 H new ATOM 0 HG3 LYS A 131 13.075 27.946 24.370 1.00 43.97 H new ATOM 0 HD2 LYS A 131 11.644 29.684 25.122 1.00 49.12 H new ATOM 0 HD3 LYS A 131 10.878 28.665 26.020 1.00 49.12 H new ATOM 0 HE2 LYS A 131 12.794 28.347 27.331 1.00 51.10 H new ATOM 0 HE3 LYS A 131 13.602 29.310 26.409 1.00 51.10 H new ATOM 0 HZ1 LYS A 131 12.834 30.442 28.237 1.00 52.43 H new ATOM 0 HZ2 LYS A 131 12.208 31.015 27.058 1.00 52.43 H new ATOM 0 HZ3 LYS A 131 11.455 30.117 27.917 1.00 52.43 H new ATOM 1095 N PHE A 132 12.215 27.645 20.692 1.00 31.32 N ATOM 1096 CA PHE A 132 13.283 27.490 19.715 1.00 31.44 C ATOM 1097 C PHE A 132 13.437 28.735 18.853 1.00 31.12 C ATOM 1098 O PHE A 132 14.549 29.208 18.627 1.00 29.64 O ATOM 1099 CB PHE A 132 13.025 26.283 18.810 1.00 28.93 C ATOM 1100 CG PHE A 132 13.931 26.223 17.615 1.00 28.34 C ATOM 1101 CD1 PHE A 132 13.508 26.713 16.382 1.00 29.67 C ATOM 1102 CD2 PHE A 132 15.228 25.726 17.731 1.00 27.50 C ATOM 1103 CE1 PHE A 132 14.356 26.706 15.282 1.00 29.45 C ATOM 1104 CE2 PHE A 132 16.087 25.716 16.631 1.00 29.53 C ATOM 1105 CZ PHE A 132 15.649 26.212 15.402 1.00 29.20 C ATOM 0 H PHE A 132 11.550 27.109 20.591 1.00 31.32 H new ATOM 0 HA PHE A 132 14.104 27.351 20.213 1.00 31.44 H new ATOM 0 HB2 PHE A 132 13.132 25.471 19.329 1.00 28.93 H new ATOM 0 HB3 PHE A 132 12.104 26.306 18.507 1.00 28.93 H new ATOM 0 HD1 PHE A 132 12.646 27.050 16.294 1.00 29.67 H new ATOM 0 HD2 PHE A 132 15.524 25.398 18.549 1.00 27.50 H new ATOM 0 HE1 PHE A 132 14.058 27.033 14.464 1.00 29.45 H new ATOM 0 HE2 PHE A 132 16.950 25.379 16.717 1.00 29.53 H new ATOM 0 HZ PHE A 132 16.220 26.212 14.668 1.00 29.20 H new ATOM 1106 N TRP A 133 12.323 29.267 18.360 1.00 30.37 N ATOM 1107 CA TRP A 133 12.406 30.451 17.517 1.00 31.76 C ATOM 1108 C TRP A 133 12.906 31.686 18.258 1.00 31.92 C ATOM 1109 O TRP A 133 13.611 32.515 17.677 1.00 31.33 O ATOM 1110 CB TRP A 133 11.055 30.729 16.849 1.00 32.89 C ATOM 1111 CG TRP A 133 10.782 29.771 15.729 1.00 36.16 C ATOM 1112 CD1 TRP A 133 9.747 28.885 15.635 1.00 38.27 C ATOM 1113 CD2 TRP A 133 11.584 29.578 14.556 1.00 38.41 C ATOM 1114 NE1 TRP A 133 9.858 28.149 14.478 1.00 39.01 N ATOM 1115 CE2 TRP A 133 10.973 28.551 13.801 1.00 39.33 C ATOM 1116 CE3 TRP A 133 12.759 30.169 14.077 1.00 37.76 C ATOM 1117 CZ2 TRP A 133 11.502 28.109 12.581 1.00 40.36 C ATOM 1118 CZ3 TRP A 133 13.283 29.726 12.861 1.00 40.04 C ATOM 1119 CH2 TRP A 133 12.653 28.703 12.132 1.00 38.92 C ATOM 0 H TRP A 133 11.529 28.966 18.497 1.00 30.37 H new ATOM 0 HA TRP A 133 13.068 30.258 16.835 1.00 31.76 H new ATOM 0 HB2 TRP A 133 10.348 30.665 17.510 1.00 32.89 H new ATOM 0 HB3 TRP A 133 11.043 31.637 16.508 1.00 32.89 H new ATOM 0 HD1 TRP A 133 9.066 28.793 16.262 1.00 38.27 H new ATOM 0 HE1 TRP A 133 9.313 27.535 14.223 1.00 39.01 H new ATOM 0 HE3 TRP A 133 13.182 30.843 14.559 1.00 37.76 H new ATOM 0 HZ2 TRP A 133 11.086 27.436 12.093 1.00 40.36 H new ATOM 0 HZ3 TRP A 133 14.060 30.114 12.529 1.00 40.04 H new ATOM 0 HH2 TRP A 133 13.025 28.423 11.327 1.00 38.92 H new ATOM 1120 N LYS A 134 12.563 31.816 19.535 1.00 30.40 N ATOM 1121 CA LYS A 134 13.033 32.973 20.286 1.00 32.85 C ATOM 1122 C LYS A 134 14.542 32.858 20.477 1.00 32.38 C ATOM 1123 O LYS A 134 15.281 33.813 20.248 1.00 33.31 O ATOM 1124 CB LYS A 134 12.367 33.059 21.658 1.00 35.30 C ATOM 1125 CG LYS A 134 12.933 34.221 22.525 1.00 39.61 C ATOM 1126 CD LYS A 134 12.474 34.142 23.958 1.00 45.22 C ATOM 1127 CE LYS A 134 13.055 35.308 24.789 1.00 45.96 C ATOM 1128 NZ LYS A 134 14.545 35.278 24.867 1.00 43.90 N ATOM 0 H LYS A 134 12.073 31.263 19.975 1.00 30.40 H new ATOM 0 HA LYS A 134 12.806 33.773 19.786 1.00 32.85 H new ATOM 0 HB2 LYS A 134 11.412 33.181 21.543 1.00 35.30 H new ATOM 0 HB3 LYS A 134 12.491 32.219 22.127 1.00 35.30 H new ATOM 0 HG2 LYS A 134 13.902 34.200 22.497 1.00 39.61 H new ATOM 0 HG3 LYS A 134 12.656 35.070 22.145 1.00 39.61 H new ATOM 0 HD2 LYS A 134 11.505 34.167 23.993 1.00 45.22 H new ATOM 0 HD3 LYS A 134 12.750 33.296 24.344 1.00 45.22 H new ATOM 0 HE2 LYS A 134 12.773 36.150 24.398 1.00 45.96 H new ATOM 0 HE3 LYS A 134 12.688 35.274 25.686 1.00 45.96 H new ATOM 0 HZ1 LYS A 134 14.828 35.932 25.401 1.00 43.90 H new ATOM 0 HZ2 LYS A 134 14.810 34.493 25.193 1.00 43.90 H new ATOM 0 HZ3 LYS A 134 14.887 35.391 24.053 1.00 43.90 H new ATOM 1129 N LEU A 135 14.993 31.678 20.893 1.00 31.35 N ATOM 1130 CA LEU A 135 16.419 31.442 21.112 1.00 30.34 C ATOM 1131 C LEU A 135 17.209 31.690 19.833 1.00 31.21 C ATOM 1132 O LEU A 135 18.275 32.310 19.849 1.00 31.89 O ATOM 1133 CB LEU A 135 16.644 30.002 21.580 1.00 28.90 C ATOM 1134 CG LEU A 135 18.104 29.578 21.761 1.00 30.01 C ATOM 1135 CD1 LEU A 135 18.725 30.356 22.921 1.00 31.71 C ATOM 1136 CD2 LEU A 135 18.173 28.073 22.022 1.00 29.95 C ATOM 0 H LEU A 135 14.490 31.000 21.055 1.00 31.35 H new ATOM 0 HA LEU A 135 16.729 32.058 21.795 1.00 30.34 H new ATOM 0 HB2 LEU A 135 16.183 29.879 22.424 1.00 28.90 H new ATOM 0 HB3 LEU A 135 16.229 29.403 20.940 1.00 28.90 H new ATOM 0 HG LEU A 135 18.604 29.775 20.953 1.00 30.01 H new ATOM 0 HD11 LEU A 135 19.650 30.086 23.034 1.00 31.71 H new ATOM 0 HD12 LEU A 135 18.687 31.306 22.731 1.00 31.71 H new ATOM 0 HD13 LEU A 135 18.233 30.170 23.736 1.00 31.71 H new ATOM 0 HD21 LEU A 135 19.099 27.806 22.136 1.00 29.95 H new ATOM 0 HD22 LEU A 135 17.674 27.861 22.826 1.00 29.95 H new ATOM 0 HD23 LEU A 135 17.790 27.596 21.269 1.00 29.95 H new ATOM 1137 N THR A 136 16.675 31.201 18.720 1.00 29.89 N ATOM 1138 CA THR A 136 17.320 31.353 17.426 1.00 30.49 C ATOM 1139 C THR A 136 17.428 32.831 17.051 1.00 32.27 C ATOM 1140 O THR A 136 18.438 33.271 16.495 1.00 31.92 O ATOM 1141 CB THR A 136 16.535 30.569 16.358 1.00 30.56 C ATOM 1142 OG1 THR A 136 16.556 29.178 16.708 1.00 29.33 O ATOM 1143 CG2 THR A 136 17.136 30.765 14.977 1.00 31.44 C ATOM 0 H THR A 136 15.930 30.773 18.695 1.00 29.89 H new ATOM 0 HA THR A 136 18.219 30.993 17.476 1.00 30.49 H new ATOM 0 HB THR A 136 15.623 30.898 16.330 1.00 30.56 H new ATOM 0 HG1 THR A 136 15.981 29.030 17.302 1.00 29.33 H new ATOM 0 HG21 THR A 136 16.623 30.261 14.326 1.00 31.44 H new ATOM 0 HG22 THR A 136 17.115 31.707 14.746 1.00 31.44 H new ATOM 0 HG23 THR A 136 18.054 30.452 14.976 1.00 31.44 H new ATOM 1144 N GLU A 137 16.386 33.593 17.367 1.00 32.77 N ATOM 1145 CA GLU A 137 16.372 35.025 17.085 1.00 34.53 C ATOM 1146 C GLU A 137 17.378 35.724 18.005 1.00 33.87 C ATOM 1147 O GLU A 137 18.070 36.654 17.585 1.00 33.15 O ATOM 1148 CB GLU A 137 14.964 35.587 17.314 1.00 36.84 C ATOM 1149 CG GLU A 137 14.790 37.061 16.957 1.00 41.44 C ATOM 1150 CD GLU A 137 13.333 37.495 16.996 0.50 42.84 C ATOM 1151 OE1 GLU A 137 13.047 38.652 16.622 0.50 44.66 O ATOM 1152 OE2 GLU A 137 12.476 36.680 17.401 0.50 44.78 O ATOM 0 H GLU A 137 15.673 33.298 17.747 1.00 32.77 H new ATOM 0 HA GLU A 137 16.619 35.180 16.160 1.00 34.53 H new ATOM 0 HB2 GLU A 137 14.334 35.066 16.793 1.00 36.84 H new ATOM 0 HB3 GLU A 137 14.730 35.465 18.247 1.00 36.84 H new ATOM 0 HG2 GLU A 137 15.304 37.604 17.575 1.00 41.44 H new ATOM 0 HG3 GLU A 137 15.150 37.222 16.071 1.00 41.44 H new ATOM 1153 N ASP A 138 17.452 35.277 19.260 1.00 33.16 N ATOM 1154 CA ASP A 138 18.384 35.864 20.226 1.00 33.73 C ATOM 1155 C ASP A 138 19.834 35.692 19.773 1.00 33.59 C ATOM 1156 O ASP A 138 20.673 36.553 20.037 1.00 33.87 O ATOM 1157 CB ASP A 138 18.247 35.218 21.611 1.00 35.80 C ATOM 1158 CG ASP A 138 16.977 35.617 22.336 1.00 36.91 C ATOM 1159 OD1 ASP A 138 16.302 36.577 21.916 1.00 39.12 O ATOM 1160 OD2 ASP A 138 16.666 34.965 23.353 1.00 39.61 O ATOM 0 H ASP A 138 16.972 34.635 19.572 1.00 33.16 H new ATOM 0 HA ASP A 138 18.159 36.806 20.279 1.00 33.73 H new ATOM 0 HB2 ASP A 138 18.267 34.253 21.514 1.00 35.80 H new ATOM 0 HB3 ASP A 138 19.013 35.465 22.153 1.00 35.80 H new ATOM 1161 N LYS A 139 20.124 34.580 19.101 1.00 31.82 N ATOM 1162 CA LYS A 139 21.484 34.299 18.631 1.00 32.17 C ATOM 1163 C LYS A 139 21.797 34.903 17.270 1.00 31.53 C ATOM 1164 O LYS A 139 22.865 34.664 16.703 1.00 32.67 O ATOM 1165 CB LYS A 139 21.730 32.783 18.620 1.00 32.77 C ATOM 1166 CG LYS A 139 21.608 32.182 20.018 1.00 34.98 C ATOM 1167 CD LYS A 139 22.385 33.088 20.987 1.00 37.32 C ATOM 1168 CE LYS A 139 22.345 32.644 22.370 1.00 40.43 C ATOM 1169 NZ LYS A 139 23.061 33.652 23.221 1.00 34.22 N ATOM 0 H LYS A 139 19.547 33.973 18.905 1.00 31.82 H new ATOM 0 HA LYS A 139 22.089 34.728 19.257 1.00 32.17 H new ATOM 0 HB2 LYS A 139 21.093 32.356 18.027 1.00 32.77 H new ATOM 0 HB3 LYS A 139 22.614 32.601 18.265 1.00 32.77 H new ATOM 0 HG2 LYS A 139 20.677 32.121 20.282 1.00 34.98 H new ATOM 0 HG3 LYS A 139 21.967 31.281 20.033 1.00 34.98 H new ATOM 0 HD2 LYS A 139 23.310 33.136 20.699 1.00 37.32 H new ATOM 0 HD3 LYS A 139 22.024 33.987 20.935 1.00 37.32 H new ATOM 0 HE2 LYS A 139 21.426 32.547 22.665 1.00 40.43 H new ATOM 0 HE3 LYS A 139 22.764 31.773 22.456 1.00 40.43 H new ATOM 0 HZ1 LYS A 139 23.298 33.275 23.992 1.00 34.22 H new ATOM 0 HZ2 LYS A 139 23.788 33.938 22.795 1.00 34.22 H new ATOM 0 HZ3 LYS A 139 22.522 34.341 23.382 1.00 34.22 H new ATOM 1170 N GLY A 140 20.860 35.693 16.757 1.00 32.01 N ATOM 1171 CA GLY A 140 21.050 36.361 15.480 1.00 33.61 C ATOM 1172 C GLY A 140 21.077 35.453 14.272 1.00 35.79 C ATOM 1173 O GLY A 140 21.693 35.779 13.252 1.00 36.35 O ATOM 0 H GLY A 140 20.105 35.854 17.136 1.00 32.01 H new ATOM 0 HA2 GLY A 140 20.339 37.010 15.362 1.00 33.61 H new ATOM 0 HA3 GLY A 140 21.883 36.857 15.512 1.00 33.61 H new ATOM 1174 N ILE A 141 20.405 34.314 14.377 1.00 35.43 N ATOM 1175 CA ILE A 141 20.359 33.363 13.279 1.00 35.81 C ATOM 1176 C ILE A 141 19.185 33.657 12.354 1.00 37.66 C ATOM 1177 O ILE A 141 18.048 33.804 12.801 1.00 37.62 O ATOM 1178 CB ILE A 141 20.264 31.916 13.811 1.00 33.54 C ATOM 1179 CG1 ILE A 141 21.552 31.565 14.567 1.00 33.70 C ATOM 1180 CG2 ILE A 141 20.064 30.940 12.660 1.00 34.92 C ATOM 1181 CD1 ILE A 141 21.459 30.288 15.392 1.00 31.92 C ATOM 0 H ILE A 141 19.968 34.074 15.078 1.00 35.43 H new ATOM 0 HA ILE A 141 21.181 33.455 12.773 1.00 35.81 H new ATOM 0 HB ILE A 141 19.504 31.850 14.411 1.00 33.54 H new ATOM 0 HG12 ILE A 141 22.276 31.474 13.928 1.00 33.70 H new ATOM 0 HG13 ILE A 141 21.782 32.302 15.154 1.00 33.70 H new ATOM 0 HG21 ILE A 141 20.006 30.036 13.008 1.00 34.92 H new ATOM 0 HG22 ILE A 141 19.244 31.158 12.189 1.00 34.92 H new ATOM 0 HG23 ILE A 141 20.814 31.003 12.048 1.00 34.92 H new ATOM 0 HD11 ILE A 141 22.305 30.129 15.840 1.00 31.92 H new ATOM 0 HD12 ILE A 141 20.756 30.380 16.054 1.00 31.92 H new ATOM 0 HD13 ILE A 141 21.257 29.540 14.809 1.00 31.92 H new ATOM 1182 N ASP A 142 19.480 33.749 11.061 1.00 39.43 N ATOM 1183 CA ASP A 142 18.468 34.032 10.045 1.00 43.84 C ATOM 1184 C ASP A 142 17.585 32.809 9.799 1.00 42.47 C ATOM 1185 O ASP A 142 18.065 31.677 9.803 1.00 40.71 O ATOM 1186 CB ASP A 142 19.153 34.445 8.736 1.00 46.68 C ATOM 1187 CG ASP A 142 18.164 34.834 7.646 1.00 51.61 C ATOM 1188 OD1 ASP A 142 18.599 34.988 6.486 1.00 55.40 O ATOM 1189 OD2 ASP A 142 16.961 34.992 7.940 1.00 52.54 O ATOM 0 H ASP A 142 20.274 33.649 10.746 1.00 39.43 H new ATOM 0 HA ASP A 142 17.907 34.756 10.364 1.00 43.84 H new ATOM 0 HB2 ASP A 142 19.747 35.192 8.909 1.00 46.68 H new ATOM 0 HB3 ASP A 142 19.704 33.712 8.420 1.00 46.68 H new ATOM 1190 N LYS A 143 16.294 33.043 9.581 1.00 43.71 N ATOM 1191 CA LYS A 143 15.359 31.949 9.330 1.00 45.58 C ATOM 1192 C LYS A 143 15.794 31.052 8.182 1.00 44.58 C ATOM 1193 O LYS A 143 15.552 29.847 8.200 1.00 44.65 O ATOM 1194 CB LYS A 143 13.959 32.494 9.045 1.00 49.26 C ATOM 1195 CG LYS A 143 13.180 32.842 10.294 1.00 53.92 C ATOM 1196 CD LYS A 143 11.742 33.253 9.963 1.00 56.23 C ATOM 1197 CE LYS A 143 10.961 33.598 11.240 1.00 58.31 C ATOM 1198 NZ LYS A 143 10.831 32.425 12.155 1.00 59.17 N ATOM 0 H LYS A 143 15.939 33.826 9.574 1.00 43.71 H new ATOM 0 HA LYS A 143 15.348 31.409 10.136 1.00 45.58 H new ATOM 0 HB2 LYS A 143 14.035 33.285 8.489 1.00 49.26 H new ATOM 0 HB3 LYS A 143 13.461 31.836 8.535 1.00 49.26 H new ATOM 0 HG2 LYS A 143 13.170 32.079 10.893 1.00 53.92 H new ATOM 0 HG3 LYS A 143 13.625 33.565 10.763 1.00 53.92 H new ATOM 0 HD2 LYS A 143 11.750 34.019 9.368 1.00 56.23 H new ATOM 0 HD3 LYS A 143 11.296 32.532 9.492 1.00 56.23 H new ATOM 0 HE2 LYS A 143 11.409 34.322 11.706 1.00 58.31 H new ATOM 0 HE3 LYS A 143 10.078 33.919 11.000 1.00 58.31 H new ATOM 0 HZ1 LYS A 143 9.977 32.320 12.384 1.00 59.17 H new ATOM 0 HZ2 LYS A 143 11.119 31.692 11.741 1.00 59.17 H new ATOM 0 HZ3 LYS A 143 11.319 32.563 12.886 1.00 59.17 H new ATOM 1199 N LYS A 144 16.440 31.636 7.180 1.00 45.09 N ATOM 1200 CA LYS A 144 16.896 30.857 6.040 1.00 44.97 C ATOM 1201 C LYS A 144 18.071 29.954 6.426 1.00 44.30 C ATOM 1202 O LYS A 144 18.444 29.055 5.675 1.00 43.09 O ATOM 1203 CB LYS A 144 17.281 31.802 4.895 1.00 47.92 C ATOM 1204 CG LYS A 144 18.677 31.641 4.399 1.00 50.77 C ATOM 1205 CD LYS A 144 19.103 32.827 3.570 1.00 55.31 C ATOM 1206 CE LYS A 144 20.511 32.626 3.094 1.00 55.99 C ATOM 1207 NZ LYS A 144 21.336 32.040 4.190 1.00 57.87 N ATOM 0 H LYS A 144 16.623 32.476 7.142 1.00 45.09 H new ATOM 0 HA LYS A 144 16.174 30.281 5.743 1.00 44.97 H new ATOM 0 HB2 LYS A 144 16.669 31.661 4.155 1.00 47.92 H new ATOM 0 HB3 LYS A 144 17.160 32.717 5.192 1.00 47.92 H new ATOM 0 HG2 LYS A 144 19.280 31.536 5.152 1.00 50.77 H new ATOM 0 HG3 LYS A 144 18.743 30.832 3.868 1.00 50.77 H new ATOM 0 HD2 LYS A 144 18.507 32.934 2.812 1.00 55.31 H new ATOM 0 HD3 LYS A 144 19.042 33.640 4.096 1.00 55.31 H new ATOM 0 HE2 LYS A 144 20.520 32.039 2.322 1.00 55.99 H new ATOM 0 HE3 LYS A 144 20.889 33.473 2.810 1.00 55.99 H new ATOM 0 HZ1 LYS A 144 22.199 32.161 4.009 1.00 57.87 H new ATOM 0 HZ2 LYS A 144 21.135 32.440 4.959 1.00 57.87 H new ATOM 0 HZ3 LYS A 144 21.166 31.169 4.256 1.00 57.87 H new ATOM 1208 N ASN A 145 18.649 30.195 7.602 1.00 41.99 N ATOM 1209 CA ASN A 145 19.766 29.384 8.064 1.00 40.15 C ATOM 1210 C ASN A 145 19.326 28.338 9.086 1.00 39.28 C ATOM 1211 O ASN A 145 20.087 27.961 9.981 1.00 34.31 O ATOM 1212 CB ASN A 145 20.869 30.270 8.652 1.00 42.74 C ATOM 1213 CG ASN A 145 21.564 31.103 7.591 1.00 45.69 C ATOM 1214 OD1 ASN A 145 21.888 30.602 6.516 1.00 47.62 O ATOM 1215 ND2 ASN A 145 21.802 32.374 7.889 1.00 47.28 N ATOM 0 H ASN A 145 18.409 30.820 8.142 1.00 41.99 H new ATOM 0 HA ASN A 145 20.118 28.912 7.293 1.00 40.15 H new ATOM 0 HB2 ASN A 145 20.486 30.857 9.322 1.00 42.74 H new ATOM 0 HB3 ASN A 145 21.523 29.713 9.103 1.00 42.74 H new ATOM 0 HD21 ASN A 145 22.198 32.882 7.319 1.00 47.28 H new ATOM 0 HD22 ASN A 145 21.560 32.689 8.652 1.00 47.28 H new ATOM 1216 N VAL A 146 18.084 27.883 8.939 1.00 37.03 N ATOM 1217 CA VAL A 146 17.511 26.856 9.805 1.00 36.27 C ATOM 1218 C VAL A 146 17.065 25.700 8.911 1.00 36.72 C ATOM 1219 O VAL A 146 16.361 25.910 7.921 1.00 37.14 O ATOM 1220 CB VAL A 146 16.288 27.389 10.586 1.00 35.03 C ATOM 1221 CG1 VAL A 146 15.651 26.264 11.387 1.00 37.58 C ATOM 1222 CG2 VAL A 146 16.713 28.532 11.509 1.00 34.23 C ATOM 0 H VAL A 146 17.546 28.164 8.329 1.00 37.03 H new ATOM 0 HA VAL A 146 18.176 26.575 10.453 1.00 36.27 H new ATOM 0 HB VAL A 146 15.633 27.729 9.956 1.00 35.03 H new ATOM 0 HG11 VAL A 146 14.885 26.607 11.874 1.00 37.58 H new ATOM 0 HG12 VAL A 146 15.363 25.561 10.785 1.00 37.58 H new ATOM 0 HG13 VAL A 146 16.299 25.906 12.014 1.00 37.58 H new ATOM 0 HG21 VAL A 146 15.940 28.860 11.995 1.00 34.23 H new ATOM 0 HG22 VAL A 146 17.377 28.210 12.138 1.00 34.23 H new ATOM 0 HG23 VAL A 146 17.091 29.252 10.980 1.00 34.23 H new ATOM 1223 N VAL A 147 17.486 24.485 9.249 1.00 34.89 N ATOM 1224 CA VAL A 147 17.120 23.311 8.465 1.00 35.01 C ATOM 1225 C VAL A 147 16.040 22.467 9.140 1.00 35.16 C ATOM 1226 O VAL A 147 16.084 22.227 10.348 1.00 33.48 O ATOM 1227 CB VAL A 147 18.351 22.414 8.196 1.00 37.19 C ATOM 1228 CG1 VAL A 147 17.927 21.144 7.460 1.00 38.18 C ATOM 1229 CG2 VAL A 147 19.382 23.178 7.379 1.00 38.10 C ATOM 0 H VAL A 147 17.985 24.319 9.930 1.00 34.89 H new ATOM 0 HA VAL A 147 16.767 23.651 7.628 1.00 35.01 H new ATOM 0 HB VAL A 147 18.748 22.162 9.044 1.00 37.19 H new ATOM 0 HG11 VAL A 147 18.706 20.589 7.296 1.00 38.18 H new ATOM 0 HG12 VAL A 147 17.289 20.654 8.002 1.00 38.18 H new ATOM 0 HG13 VAL A 147 17.517 21.382 6.614 1.00 38.18 H new ATOM 0 HG21 VAL A 147 20.151 22.610 7.214 1.00 38.10 H new ATOM 0 HG22 VAL A 147 18.991 23.445 6.533 1.00 38.10 H new ATOM 0 HG23 VAL A 147 19.663 23.967 7.868 1.00 38.10 H new ATOM 1230 N ASN A 148 15.070 22.025 8.342 1.00 34.80 N ATOM 1231 CA ASN A 148 13.970 21.189 8.815 1.00 34.47 C ATOM 1232 C ASN A 148 14.378 19.729 8.610 1.00 34.53 C ATOM 1233 O ASN A 148 14.584 19.295 7.476 1.00 35.49 O ATOM 1234 CB ASN A 148 12.706 21.489 8.005 1.00 36.14 C ATOM 1235 CG ASN A 148 11.477 20.787 8.548 1.00 36.92 C ATOM 1236 OD1 ASN A 148 11.542 19.633 8.971 1.00 36.71 O ATOM 1237 ND2 ASN A 148 10.340 21.479 8.523 1.00 39.68 N ATOM 0 H ASN A 148 15.032 22.204 7.502 1.00 34.80 H new ATOM 0 HA ASN A 148 13.786 21.365 9.751 1.00 34.47 H new ATOM 0 HB2 ASN A 148 12.550 22.446 8.000 1.00 36.14 H new ATOM 0 HB3 ASN A 148 12.846 21.220 7.084 1.00 36.14 H new ATOM 0 HD21 ASN A 148 9.612 21.121 8.810 1.00 39.68 H new ATOM 0 HD22 ASN A 148 10.333 22.284 8.220 1.00 39.68 H new ATOM 1238 N PHE A 149 14.504 18.977 9.700 1.00 32.23 N ATOM 1239 CA PHE A 149 14.899 17.571 9.617 1.00 33.81 C ATOM 1240 C PHE A 149 13.735 16.591 9.602 1.00 37.05 C ATOM 1241 O PHE A 149 13.934 15.391 9.411 1.00 38.04 O ATOM 1242 CB PHE A 149 15.817 17.201 10.782 1.00 33.01 C ATOM 1243 CG PHE A 149 17.170 17.832 10.707 1.00 32.15 C ATOM 1244 CD1 PHE A 149 17.332 19.199 10.927 1.00 30.63 C ATOM 1245 CD2 PHE A 149 18.291 17.055 10.436 1.00 31.57 C ATOM 1246 CE1 PHE A 149 18.594 19.784 10.873 1.00 31.85 C ATOM 1247 CE2 PHE A 149 19.559 17.629 10.380 1.00 33.82 C ATOM 1248 CZ PHE A 149 19.712 18.996 10.603 1.00 33.57 C ATOM 0 H PHE A 149 14.365 19.262 10.500 1.00 32.23 H new ATOM 0 HA PHE A 149 15.356 17.492 8.765 1.00 33.81 H new ATOM 0 HB2 PHE A 149 15.392 17.464 11.614 1.00 33.01 H new ATOM 0 HB3 PHE A 149 15.920 16.237 10.808 1.00 33.01 H new ATOM 0 HD1 PHE A 149 16.588 19.726 11.112 1.00 30.63 H new ATOM 0 HD2 PHE A 149 18.193 16.142 10.290 1.00 31.57 H new ATOM 0 HE1 PHE A 149 18.691 20.698 11.017 1.00 31.85 H new ATOM 0 HE2 PHE A 149 20.302 17.101 10.194 1.00 33.82 H new ATOM 0 HZ PHE A 149 20.558 19.382 10.572 1.00 33.57 H new ATOM 1249 N LEU A 150 12.526 17.092 9.816 1.00 41.42 N ATOM 1250 CA LEU A 150 11.352 16.228 9.831 1.00 47.16 C ATOM 1251 C LEU A 150 10.877 15.963 8.410 1.00 50.54 C ATOM 1252 O LEU A 150 10.510 14.837 8.067 1.00 52.17 O ATOM 1253 CB LEU A 150 10.240 16.872 10.660 1.00 46.28 C ATOM 1254 CG LEU A 150 9.750 16.072 11.873 1.00 48.90 C ATOM 1255 CD1 LEU A 150 10.926 15.498 12.648 1.00 48.49 C ATOM 1256 CD2 LEU A 150 8.903 16.969 12.757 1.00 47.41 C ATOM 0 H LEU A 150 12.363 17.925 9.954 1.00 41.42 H new ATOM 0 HA LEU A 150 11.588 15.380 10.237 1.00 47.16 H new ATOM 0 HB2 LEU A 150 10.553 17.736 10.971 1.00 46.28 H new ATOM 0 HB3 LEU A 150 9.482 17.037 10.077 1.00 46.28 H new ATOM 0 HG LEU A 150 9.208 15.327 11.568 1.00 48.90 H new ATOM 0 HD11 LEU A 150 10.597 14.996 13.410 1.00 48.49 H new ATOM 0 HD12 LEU A 150 11.438 14.910 12.071 1.00 48.49 H new ATOM 0 HD13 LEU A 150 11.494 16.221 12.958 1.00 48.49 H new ATOM 0 HD21 LEU A 150 8.592 16.466 13.525 1.00 47.41 H new ATOM 0 HD22 LEU A 150 9.435 17.722 13.058 1.00 47.41 H new ATOM 0 HD23 LEU A 150 8.140 17.294 12.253 1.00 47.41 H new ATOM 1257 N GLU A 151 10.887 17.001 7.584 1.00 55.10 N ATOM 1258 CA GLU A 151 10.475 16.864 6.195 1.00 59.33 C ATOM 1259 C GLU A 151 11.662 17.167 5.284 1.00 61.29 C ATOM 1260 O GLU A 151 11.752 18.244 4.697 1.00 62.25 O ATOM 1261 CB GLU A 151 9.311 17.814 5.877 1.00 60.88 C ATOM 1262 CG GLU A 151 9.664 19.312 5.928 1.00 64.18 C ATOM 1263 CD GLU A 151 8.612 20.188 5.271 1.00 66.01 C ATOM 1264 OE1 GLU A 151 7.554 20.431 5.891 1.00 66.47 O ATOM 1265 OE2 GLU A 151 8.843 20.629 4.124 1.00 67.63 O ATOM 0 H GLU A 151 11.130 17.795 7.809 1.00 55.10 H new ATOM 0 HA GLU A 151 10.173 15.955 6.045 1.00 59.33 H new ATOM 0 HB2 GLU A 151 8.972 17.605 4.992 1.00 60.88 H new ATOM 0 HB3 GLU A 151 8.591 17.643 6.504 1.00 60.88 H new ATOM 0 HG2 GLU A 151 9.773 19.583 6.853 1.00 64.18 H new ATOM 0 HG3 GLU A 151 10.517 19.454 5.489 1.00 64.18 H new ATOM 1266 N ASN A 152 12.583 16.216 5.176 1.00 63.42 N ATOM 1267 CA ASN A 152 13.752 16.404 4.328 1.00 65.01 C ATOM 1268 C ASN A 152 14.062 15.130 3.549 1.00 65.31 C ATOM 1269 O ASN A 152 14.134 14.043 4.123 1.00 65.92 O ATOM 1270 CB ASN A 152 14.964 16.807 5.172 1.00 66.66 C ATOM 1271 CG ASN A 152 16.049 17.467 4.347 1.00 68.16 C ATOM 1272 OD1 ASN A 152 17.206 16.820 4.256 1.00 70.34 O flip ATOM 1273 ND2 ASN A 152 15.848 18.547 3.791 1.00 69.25 N flip ATOM 0 H ASN A 152 12.550 15.459 5.583 1.00 63.42 H new ATOM 0 HA ASN A 152 13.557 17.114 3.697 1.00 65.01 H new ATOM 0 HB2 ASN A 152 14.679 17.415 5.873 1.00 66.66 H new ATOM 0 HB3 ASN A 152 15.327 16.020 5.609 1.00 66.66 H new ATOM 0 HD21 ASN A 152 15.086 18.937 3.872 1.00 69.25 H new ATOM 0 HD22 ASN A 152 16.470 18.911 3.321 1.00 69.25 H new ATOM 1274 N GLU A 153 14.244 15.275 2.240 1.00 65.30 N ATOM 1275 CA GLU A 153 14.538 14.146 1.359 1.00 65.47 C ATOM 1276 C GLU A 153 15.853 13.456 1.704 1.00 64.31 C ATOM 1277 O GLU A 153 15.946 12.228 1.687 1.00 64.82 O ATOM 1278 CB GLU A 153 14.599 14.621 -0.096 1.00 67.16 C ATOM 1279 CG GLU A 153 15.711 15.661 -0.367 1.00 70.81 C ATOM 1280 CD GLU A 153 15.781 16.086 -1.823 1.00 73.71 C ATOM 1281 OE1 GLU A 153 14.793 15.861 -2.554 1.00 75.31 O ATOM 1282 OE2 GLU A 153 16.816 16.656 -2.234 1.00 74.80 O ATOM 0 H GLU A 153 14.201 16.033 1.835 1.00 65.30 H new ATOM 0 HA GLU A 153 13.822 13.503 1.482 1.00 65.47 H new ATOM 0 HB2 GLU A 153 14.738 13.853 -0.672 1.00 67.16 H new ATOM 0 HB3 GLU A 153 13.742 15.006 -0.338 1.00 67.16 H new ATOM 0 HG2 GLU A 153 15.558 16.443 0.186 1.00 70.81 H new ATOM 0 HG3 GLU A 153 16.567 15.289 -0.102 1.00 70.81 H new ATOM 1283 N ASN A 154 16.866 14.257 2.007 1.00 62.90 N ATOM 1284 CA ASN A 154 18.194 13.752 2.337 1.00 61.25 C ATOM 1285 C ASN A 154 18.259 13.262 3.786 1.00 59.17 C ATOM 1286 O ASN A 154 18.574 14.033 4.693 1.00 58.83 O ATOM 1287 CB ASN A 154 19.218 14.867 2.107 1.00 63.29 C ATOM 1288 CG ASN A 154 20.647 14.369 2.125 1.00 64.90 C ATOM 1289 OD1 ASN A 154 20.822 13.057 2.017 1.00 66.91 O flip ATOM 1290 ND2 ASN A 154 21.586 15.158 2.221 1.00 66.16 N flip ATOM 0 H ASN A 154 16.803 15.114 2.027 1.00 62.90 H new ATOM 0 HA ASN A 154 18.394 12.995 1.765 1.00 61.25 H new ATOM 0 HB2 ASN A 154 19.040 15.292 1.254 1.00 63.29 H new ATOM 0 HB3 ASN A 154 19.109 15.546 2.791 1.00 63.29 H new ATOM 0 HD21 ASN A 154 21.434 16.002 2.289 1.00 66.16 H new ATOM 0 HD22 ASN A 154 22.395 14.866 2.220 1.00 66.16 H new ATOM 1291 N HIS A 155 17.967 11.979 3.997 1.00 56.50 N ATOM 1292 CA HIS A 155 17.988 11.390 5.337 1.00 54.17 C ATOM 1293 C HIS A 155 18.639 10.000 5.367 1.00 51.99 C ATOM 1294 O HIS A 155 18.756 9.339 4.337 1.00 50.12 O ATOM 1295 CB HIS A 155 16.559 11.314 5.887 1.00 55.25 C ATOM 1296 CG HIS A 155 15.615 10.537 5.022 1.00 57.76 C ATOM 1297 ND1 HIS A 155 15.693 9.167 4.875 1.00 58.30 N ATOM 1298 CD2 HIS A 155 14.572 10.937 4.257 1.00 57.71 C ATOM 1299 CE1 HIS A 155 14.739 8.759 4.058 1.00 59.29 C ATOM 1300 NE2 HIS A 155 14.044 9.813 3.669 1.00 58.38 N ATOM 0 H HIS A 155 17.752 11.428 3.372 1.00 56.50 H new ATOM 0 HA HIS A 155 18.532 11.966 5.897 1.00 54.17 H new ATOM 0 HB2 HIS A 155 16.582 10.910 6.769 1.00 55.25 H new ATOM 0 HB3 HIS A 155 16.216 12.215 5.997 1.00 55.25 H new ATOM 0 HD1 HIS A 155 16.272 8.658 5.256 1.00 58.30 H new ATOM 0 HD2 HIS A 155 14.269 11.810 4.150 1.00 57.71 H new ATOM 0 HE1 HIS A 155 14.583 7.879 3.800 1.00 59.29 H new ATOM 1301 N PRO A 156 19.077 9.543 6.558 1.00 50.23 N ATOM 1302 CA PRO A 156 19.720 8.233 6.729 1.00 49.48 C ATOM 1303 C PRO A 156 18.804 7.061 6.375 1.00 48.86 C ATOM 1304 O PRO A 156 17.581 7.189 6.407 1.00 48.36 O ATOM 1305 CB PRO A 156 20.101 8.219 8.213 1.00 50.43 C ATOM 1306 CG PRO A 156 20.237 9.671 8.557 1.00 50.16 C ATOM 1307 CD PRO A 156 19.072 10.286 7.831 1.00 50.05 C ATOM 0 HA PRO A 156 20.477 8.122 6.133 1.00 49.48 H new ATOM 0 HB2 PRO A 156 19.420 7.787 8.752 1.00 50.43 H new ATOM 0 HB3 PRO A 156 20.930 7.738 8.364 1.00 50.43 H new ATOM 0 HG2 PRO A 156 20.187 9.822 9.514 1.00 50.16 H new ATOM 0 HG3 PRO A 156 21.084 10.036 8.256 1.00 50.16 H new ATOM 0 HD2 PRO A 156 18.240 10.170 8.316 1.00 50.05 H new ATOM 0 HD3 PRO A 156 19.191 11.239 7.696 1.00 50.05 H new ATOM 1308 N HIS A 157 19.405 5.920 6.047 1.00 47.99 N ATOM 1309 CA HIS A 157 18.646 4.719 5.698 1.00 49.20 C ATOM 1310 C HIS A 157 18.646 3.723 6.848 1.00 48.83 C ATOM 1311 O HIS A 157 19.693 3.412 7.410 1.00 49.11 O ATOM 1312 CB HIS A 157 19.242 4.039 4.465 1.00 51.07 C ATOM 1313 CG HIS A 157 19.311 4.926 3.263 1.00 52.85 C ATOM 1314 ND1 HIS A 157 18.200 5.542 2.732 1.00 53.86 N ATOM 1315 CD2 HIS A 157 20.359 5.305 2.495 1.00 53.84 C ATOM 1316 CE1 HIS A 157 18.560 6.266 1.687 1.00 54.35 C ATOM 1317 NE2 HIS A 157 19.864 6.140 1.522 1.00 55.02 N ATOM 0 H HIS A 157 20.259 5.819 6.020 1.00 47.99 H new ATOM 0 HA HIS A 157 17.736 4.998 5.510 1.00 49.20 H new ATOM 0 HB2 HIS A 157 20.135 3.726 4.678 1.00 51.07 H new ATOM 0 HB3 HIS A 157 18.712 3.256 4.249 1.00 51.07 H new ATOM 0 HD2 HIS A 157 21.246 5.049 2.605 1.00 53.84 H new ATOM 0 HE1 HIS A 157 17.992 6.777 1.158 1.00 54.35 H new ATOM 0 HE2 HIS A 157 20.328 6.519 0.905 1.00 55.02 H new ATOM 1318 N APRO A 158 17.463 3.207 7.209 0.74 48.99 N ATOM 1319 N BPRO A 158 17.463 3.207 7.215 0.53 48.85 N ATOM 1320 CA APRO A 158 17.322 2.236 8.300 0.74 50.00 C ATOM 1321 CA BPRO A 158 17.355 2.240 8.312 0.53 49.65 C ATOM 1322 C APRO A 158 17.918 0.877 7.945 0.74 51.40 C ATOM 1323 C BPRO A 158 17.923 0.873 7.946 0.53 51.00 C ATOM 1324 O APRO A 158 18.211 0.067 8.825 0.74 52.56 O ATOM 1325 O BPRO A 158 18.199 0.050 8.820 0.53 51.90 O ATOM 1326 CB APRO A 158 15.808 2.150 8.495 0.74 50.39 C ATOM 1327 CB BPRO A 158 15.855 2.194 8.576 0.53 49.65 C ATOM 1328 CG APRO A 158 15.313 3.480 8.003 0.74 49.71 C ATOM 1329 CG BPRO A 158 15.284 2.391 7.208 0.53 48.23 C ATOM 1330 CD APRO A 158 16.142 3.688 6.768 0.74 48.30 C ATOM 1331 CD BPRO A 158 16.135 3.516 6.656 0.53 48.22 C ATOM 0 HA APRO A 158 17.798 2.505 9.101 0.74 49.65 H new ATOM 0 HA BPRO A 158 17.871 2.496 9.093 0.53 49.65 H new ATOM 0 HB2APRO A 158 15.424 1.417 7.989 0.74 49.65 H new ATOM 0 HB2BPRO A 158 15.582 1.348 8.964 0.53 49.65 H new ATOM 0 HB3APRO A 158 15.576 2.005 9.425 0.74 49.65 H new ATOM 0 HB3BPRO A 158 15.574 2.891 9.189 0.53 49.65 H new ATOM 0 HG2APRO A 158 14.364 3.463 7.804 0.74 48.23 H new ATOM 0 HG2BPRO A 158 15.353 1.588 6.669 0.53 48.23 H new ATOM 0 HG3APRO A 158 15.453 4.183 8.656 0.74 48.23 H new ATOM 0 HG3BPRO A 158 14.345 2.631 7.240 0.53 48.23 H new ATOM 0 HD2APRO A 158 15.804 3.182 6.013 0.74 48.22 H new ATOM 0 HD2BPRO A 158 16.143 3.522 5.686 0.53 48.22 H new ATOM 0 HD3APRO A 158 16.165 4.619 6.498 0.74 48.22 H new ATOM 0 HD3BPRO A 158 15.815 4.386 6.942 0.53 48.22 H new ATOM 1332 N GLU A 159 18.092 0.635 6.650 1.00 51.30 N ATOM 1333 CA GLU A 159 18.630 -0.632 6.170 1.00 52.71 C ATOM 1334 C GLU A 159 19.097 -0.522 4.723 1.00 53.06 C ATOM 1335 O GLU A 159 18.929 0.565 4.133 1.00 53.30 O ATOM 1336 CB GLU A 159 17.561 -1.724 6.287 1.00 53.00 C ATOM 1337 CG GLU A 159 16.158 -1.252 5.900 1.00 53.14 C ATOM 1338 CD GLU A 159 15.127 -2.365 5.940 1.00 52.88 C ATOM 1339 OE1 GLU A 159 15.032 -3.131 4.959 0.80 54.85 O ATOM 1340 OE2 GLU A 159 14.416 -2.481 6.958 1.00 50.22 O ATOM 1341 OXT GLU A 159 19.623 -1.528 4.198 1.00 54.31 O ATOM 0 H AGLU A 159 17.903 1.198 6.028 0.74 51.30 H new ATOM 0 H BGLU A 159 17.900 1.198 6.029 0.53 51.30 H new ATOM 0 HA GLU A 159 19.396 -0.863 6.718 1.00 52.71 H new ATOM 0 HB2 GLU A 159 17.810 -2.472 5.721 1.00 53.00 H new ATOM 0 HB3 GLU A 159 17.543 -2.052 7.200 1.00 53.00 H new ATOM 0 HG2 GLU A 159 15.884 -0.542 6.501 1.00 53.14 H new ATOM 0 HG3 GLU A 159 16.184 -0.874 5.007 1.00 53.14 H new TER 1342 GLU A 159 ATOM 1343 N GLU B 3 -5.139 4.871 36.004 1.00 71.02 N ATOM 1344 CA GLU B 3 -4.349 6.062 35.576 1.00 71.45 C ATOM 1345 C GLU B 3 -3.042 6.180 36.357 1.00 71.38 C ATOM 1346 O GLU B 3 -3.053 6.446 37.557 1.00 70.90 O ATOM 1347 CB GLU B 3 -5.169 7.337 35.783 1.00 72.20 C ATOM 1348 CG GLU B 3 -4.485 8.595 35.267 1.00 73.40 C ATOM 1349 CD GLU B 3 -5.242 9.858 35.621 1.00 74.57 C ATOM 1350 OE1 GLU B 3 -5.228 10.248 36.807 1.00 74.62 O ATOM 1351 OE2 GLU B 3 -5.856 10.457 34.714 1.00 76.19 O ATOM 0 HA GLU B 3 -4.138 5.949 34.636 1.00 71.45 H new ATOM 0 HB2 GLU B 3 -6.025 7.238 35.337 1.00 72.20 H new ATOM 0 HB3 GLU B 3 -5.353 7.444 36.729 1.00 72.20 H new ATOM 0 HG2 GLU B 3 -3.589 8.646 35.635 1.00 73.40 H new ATOM 0 HG3 GLU B 3 -4.393 8.537 34.303 1.00 73.40 H new ATOM 1352 N GLU B 4 -1.918 5.984 35.675 1.00 71.06 N ATOM 1353 CA GLU B 4 -0.619 6.085 36.328 1.00 71.87 C ATOM 1354 C GLU B 4 0.478 6.536 35.373 1.00 71.61 C ATOM 1355 O GLU B 4 0.405 6.300 34.167 1.00 71.77 O ATOM 1356 CB GLU B 4 -0.220 4.746 36.957 1.00 73.11 C ATOM 1357 CG GLU B 4 0.143 3.644 35.961 1.00 73.94 C ATOM 1358 CD GLU B 4 -1.062 3.093 35.235 1.00 75.50 C ATOM 1359 OE1 GLU B 4 -2.000 2.626 35.916 1.00 75.87 O ATOM 1360 OE2 GLU B 4 -1.071 3.122 33.986 1.00 76.03 O ATOM 0 H GLU B 4 -1.886 5.792 34.837 1.00 71.06 H new ATOM 0 HA GLU B 4 -0.712 6.758 37.020 1.00 71.87 H new ATOM 0 HB2 GLU B 4 0.537 4.894 37.545 1.00 73.11 H new ATOM 0 HB3 GLU B 4 -0.952 4.434 37.511 1.00 73.11 H new ATOM 0 HG2 GLU B 4 0.774 3.994 35.313 1.00 73.94 H new ATOM 0 HG3 GLU B 4 0.590 2.923 36.431 1.00 73.94 H new ATOM 1361 N GLU B 5 1.496 7.189 35.924 1.00 71.11 N ATOM 1362 CA GLU B 5 2.614 7.672 35.126 1.00 70.55 C ATOM 1363 C GLU B 5 3.937 7.333 35.802 1.00 70.54 C ATOM 1364 O GLU B 5 4.090 7.490 37.014 1.00 70.15 O ATOM 1365 CB GLU B 5 2.490 9.185 34.906 1.00 70.65 C ATOM 1366 CG GLU B 5 2.524 10.039 36.182 1.00 71.38 C ATOM 1367 CD GLU B 5 3.930 10.443 36.578 0.10 71.49 C ATOM 1368 OE1 GLU B 5 4.602 11.119 35.771 0.10 71.61 O ATOM 1369 OE2 GLU B 5 4.364 10.089 37.694 0.10 71.64 O ATOM 0 H GLU B 5 1.557 7.363 36.764 1.00 71.11 H new ATOM 0 HA GLU B 5 2.594 7.232 34.262 1.00 70.55 H new ATOM 0 HB2 GLU B 5 3.210 9.472 34.323 1.00 70.65 H new ATOM 0 HB3 GLU B 5 1.659 9.362 34.438 1.00 70.65 H new ATOM 0 HG2 GLU B 5 1.988 10.836 36.047 1.00 71.38 H new ATOM 0 HG3 GLU B 5 2.117 9.543 36.910 1.00 71.38 H new ATOM 1370 N ALA B 6 4.888 6.851 35.008 1.00 69.87 N ATOM 1371 CA ALA B 6 6.199 6.477 35.520 1.00 69.47 C ATOM 1372 C ALA B 6 6.835 7.623 36.295 1.00 69.11 C ATOM 1373 O ALA B 6 6.646 8.795 35.961 1.00 68.34 O ATOM 1374 CB ALA B 6 7.107 6.056 34.371 1.00 69.43 C ATOM 0 H ALA B 6 4.791 6.732 34.162 1.00 69.87 H new ATOM 0 HA ALA B 6 6.084 5.730 36.128 1.00 69.47 H new ATOM 0 HB1 ALA B 6 7.978 5.809 34.720 1.00 69.43 H new ATOM 0 HB2 ALA B 6 6.716 5.297 33.911 1.00 69.43 H new ATOM 0 HB3 ALA B 6 7.206 6.794 33.750 1.00 69.43 H new ATOM 1375 N GLU B 7 7.589 7.274 37.332 1.00 69.12 N ATOM 1376 CA GLU B 7 8.264 8.265 38.159 1.00 69.54 C ATOM 1377 C GLU B 7 9.244 9.061 37.305 1.00 69.54 C ATOM 1378 O GLU B 7 9.920 8.505 36.440 1.00 69.21 O ATOM 1379 CB GLU B 7 9.013 7.570 39.295 1.00 70.33 C ATOM 1380 CG GLU B 7 9.625 8.514 40.305 1.00 71.39 C ATOM 1381 CD GLU B 7 10.530 7.796 41.282 1.00 72.15 C ATOM 1382 OE1 GLU B 7 11.571 7.265 40.839 1.00 72.43 O ATOM 1383 OE2 GLU B 7 10.197 7.759 42.486 1.00 71.75 O ATOM 0 H GLU B 7 7.723 6.460 37.575 1.00 69.12 H new ATOM 0 HA GLU B 7 7.605 8.868 38.537 1.00 69.54 H new ATOM 0 HB2 GLU B 7 8.401 6.974 39.754 1.00 70.33 H new ATOM 0 HB3 GLU B 7 9.715 7.019 38.916 1.00 70.33 H new ATOM 0 HG2 GLU B 7 10.131 9.198 39.840 1.00 71.39 H new ATOM 0 HG3 GLU B 7 8.919 8.966 40.793 1.00 71.39 H new ATOM 1384 N GLN B 8 9.320 10.364 37.554 1.00 69.67 N ATOM 1385 CA GLN B 8 10.211 11.241 36.803 1.00 70.06 C ATOM 1386 C GLN B 8 11.677 11.121 37.212 1.00 69.82 C ATOM 1387 O GLN B 8 12.056 11.469 38.331 1.00 70.04 O ATOM 1388 CB GLN B 8 9.752 12.692 36.949 1.00 71.15 C ATOM 1389 CG GLN B 8 8.509 13.028 36.131 1.00 72.02 C ATOM 1390 CD GLN B 8 7.840 14.306 36.590 0.10 72.06 C ATOM 1391 OE1 GLN B 8 7.137 14.323 37.600 0.10 72.21 O ATOM 1392 NE2 GLN B 8 8.064 15.389 35.855 0.10 72.19 N ATOM 0 H GLN B 8 8.859 10.763 38.160 1.00 69.67 H new ATOM 0 HA GLN B 8 10.159 10.957 35.877 1.00 70.06 H new ATOM 0 HB2 GLN B 8 9.572 12.873 37.885 1.00 71.15 H new ATOM 0 HB3 GLN B 8 10.475 13.280 36.680 1.00 71.15 H new ATOM 0 HG2 GLN B 8 8.754 13.113 35.196 1.00 72.02 H new ATOM 0 HG3 GLN B 8 7.877 12.295 36.193 1.00 72.02 H new ATOM 0 HE21 GLN B 8 8.561 15.338 35.155 0.10 72.19 H new ATOM 0 HE22 GLN B 8 7.712 16.141 36.079 0.10 72.19 H new ATOM 1393 N ASN B 9 12.491 10.628 36.284 1.00 68.82 N ATOM 1394 CA ASN B 9 13.923 10.449 36.498 1.00 67.72 C ATOM 1395 C ASN B 9 14.632 10.987 35.256 1.00 65.28 C ATOM 1396 O ASN B 9 14.122 10.851 34.147 1.00 64.48 O ATOM 1397 CB ASN B 9 14.245 8.963 36.669 1.00 69.64 C ATOM 1398 CG ASN B 9 13.431 8.311 37.772 1.00 72.27 C ATOM 1399 OD1 ASN B 9 13.683 8.525 38.959 1.00 74.44 O ATOM 1400 ND2 ASN B 9 12.441 7.514 37.382 1.00 72.98 N ATOM 0 H ASN B 9 12.224 10.385 35.503 1.00 68.82 H new ATOM 0 HA ASN B 9 14.212 10.917 37.297 1.00 67.72 H new ATOM 0 HB2 ASN B 9 14.078 8.501 35.833 1.00 69.64 H new ATOM 0 HB3 ASN B 9 15.189 8.861 36.865 1.00 69.64 H new ATOM 0 HD21 ASN B 9 11.947 7.124 37.968 1.00 72.98 H new ATOM 0 HD22 ASN B 9 12.295 7.388 36.544 1.00 72.98 H new ATOM 1401 N LEU B 10 15.798 11.600 35.437 1.00 63.40 N ATOM 1402 CA LEU B 10 16.542 12.142 34.303 1.00 61.22 C ATOM 1403 C LEU B 10 16.901 11.015 33.341 1.00 60.15 C ATOM 1404 O LEU B 10 16.998 11.222 32.129 1.00 59.35 O ATOM 1405 CB LEU B 10 17.825 12.825 34.777 1.00 61.49 C ATOM 1406 CG LEU B 10 18.603 13.581 33.699 1.00 61.05 C ATOM 1407 CD1 LEU B 10 17.900 14.892 33.385 1.00 61.51 C ATOM 1408 CD2 LEU B 10 20.013 13.853 34.186 1.00 62.23 C ATOM 0 H LEU B 10 16.174 11.712 36.202 1.00 63.40 H new ATOM 0 HA LEU B 10 15.984 12.796 33.854 1.00 61.22 H new ATOM 0 HB2 LEU B 10 17.599 13.446 35.487 1.00 61.49 H new ATOM 0 HB3 LEU B 10 18.408 12.152 35.163 1.00 61.49 H new ATOM 0 HG LEU B 10 18.644 13.043 32.893 1.00 61.05 H new ATOM 0 HD11 LEU B 10 18.395 15.369 32.701 1.00 61.51 H new ATOM 0 HD12 LEU B 10 17.002 14.710 33.066 1.00 61.51 H new ATOM 0 HD13 LEU B 10 17.853 15.435 34.188 1.00 61.51 H new ATOM 0 HD21 LEU B 10 20.505 14.332 33.501 1.00 62.23 H new ATOM 0 HD22 LEU B 10 19.979 14.389 34.994 1.00 62.23 H new ATOM 0 HD23 LEU B 10 20.458 13.012 34.375 1.00 62.23 H new ATOM 1409 N SER B 11 17.098 9.822 33.894 1.00 58.59 N ATOM 1410 CA SER B 11 17.446 8.652 33.098 1.00 56.84 C ATOM 1411 C SER B 11 16.243 8.166 32.303 1.00 54.03 C ATOM 1412 O SER B 11 16.391 7.406 31.346 1.00 54.27 O ATOM 1413 CB SER B 11 17.950 7.526 34.005 1.00 58.92 C ATOM 1414 OG SER B 11 19.080 7.943 34.750 1.00 63.45 O ATOM 0 H SER B 11 17.034 9.669 34.738 1.00 58.59 H new ATOM 0 HA SER B 11 18.149 8.905 32.479 1.00 56.84 H new ATOM 0 HB2 SER B 11 17.243 7.252 34.610 1.00 58.92 H new ATOM 0 HB3 SER B 11 18.180 6.752 33.468 1.00 58.92 H new ATOM 0 HG SER B 11 19.340 7.313 35.241 1.00 63.45 H new ATOM 1415 N GLU B 12 15.053 8.601 32.703 1.00 49.35 N ATOM 1416 CA GLU B 12 13.829 8.208 32.015 1.00 47.93 C ATOM 1417 C GLU B 12 13.735 8.971 30.696 1.00 44.33 C ATOM 1418 O GLU B 12 12.922 8.648 29.831 1.00 43.86 O ATOM 1419 CB GLU B 12 12.607 8.519 32.887 1.00 50.68 C ATOM 1420 CG GLU B 12 11.285 7.963 32.341 1.00 54.24 C ATOM 1421 CD GLU B 12 11.142 6.463 32.543 1.00 55.98 C ATOM 1422 OE1 GLU B 12 10.222 5.874 31.942 1.00 57.81 O ATOM 1423 OE2 GLU B 12 11.938 5.877 33.310 1.00 57.99 O ATOM 0 H GLU B 12 14.933 9.126 33.373 1.00 49.35 H new ATOM 0 HA GLU B 12 13.848 7.254 31.842 1.00 47.93 H new ATOM 0 HB2 GLU B 12 12.756 8.158 33.775 1.00 50.68 H new ATOM 0 HB3 GLU B 12 12.527 9.481 32.982 1.00 50.68 H new ATOM 0 HG2 GLU B 12 10.546 8.415 32.777 1.00 54.24 H new ATOM 0 HG3 GLU B 12 11.222 8.164 31.394 1.00 54.24 H new ATOM 1424 N LEU B 13 14.574 9.990 30.550 1.00 40.80 N ATOM 1425 CA LEU B 13 14.594 10.791 29.335 1.00 39.72 C ATOM 1426 C LEU B 13 15.429 10.106 28.263 1.00 36.53 C ATOM 1427 O LEU B 13 15.352 10.458 27.087 1.00 36.00 O ATOM 1428 CB LEU B 13 15.157 12.185 29.627 1.00 42.06 C ATOM 1429 CG LEU B 13 14.147 13.282 29.977 1.00 43.88 C ATOM 1430 CD1 LEU B 13 13.135 12.769 30.987 1.00 47.68 C ATOM 1431 CD2 LEU B 13 14.893 14.496 30.511 1.00 46.72 C ATOM 0 H LEU B 13 15.143 10.234 31.147 1.00 40.80 H new ATOM 0 HA LEU B 13 13.684 10.882 29.011 1.00 39.72 H new ATOM 0 HB2 LEU B 13 15.786 12.109 30.361 1.00 42.06 H new ATOM 0 HB3 LEU B 13 15.661 12.475 28.851 1.00 42.06 H new ATOM 0 HG LEU B 13 13.658 13.541 29.180 1.00 43.88 H new ATOM 0 HD11 LEU B 13 12.503 13.474 31.199 1.00 47.68 H new ATOM 0 HD12 LEU B 13 12.660 12.011 30.613 1.00 47.68 H new ATOM 0 HD13 LEU B 13 13.595 12.495 31.796 1.00 47.68 H new ATOM 0 HD21 LEU B 13 14.258 15.194 30.734 1.00 46.72 H new ATOM 0 HD22 LEU B 13 15.391 14.247 31.305 1.00 46.72 H new ATOM 0 HD23 LEU B 13 15.507 14.822 29.834 1.00 46.72 H new ATOM 1432 N SER B 14 16.229 9.129 28.674 1.00 34.32 N ATOM 1433 CA SER B 14 17.068 8.389 27.736 1.00 33.19 C ATOM 1434 C SER B 14 16.204 7.594 26.763 1.00 32.85 C ATOM 1435 O SER B 14 15.128 7.113 27.120 1.00 33.80 O ATOM 1436 CB SER B 14 17.994 7.428 28.486 1.00 32.65 C ATOM 1437 OG SER B 14 18.891 8.133 29.322 1.00 34.14 O ATOM 0 H SER B 14 16.302 8.878 29.493 1.00 34.32 H new ATOM 0 HA SER B 14 17.603 9.030 27.243 1.00 33.19 H new ATOM 0 HB2 SER B 14 17.465 6.814 29.019 1.00 32.65 H new ATOM 0 HB3 SER B 14 18.493 6.893 27.850 1.00 32.65 H new ATOM 0 HG SER B 14 18.569 8.187 30.096 1.00 34.14 H new ATOM 1438 N GLY B 15 16.675 7.452 25.530 1.00 30.80 N ATOM 1439 CA GLY B 15 15.913 6.702 24.552 1.00 30.76 C ATOM 1440 C GLY B 15 15.983 7.316 23.167 1.00 29.21 C ATOM 1441 O GLY B 15 16.868 8.128 22.891 1.00 28.16 O ATOM 0 H GLY B 15 17.419 7.776 25.247 1.00 30.80 H new ATOM 0 HA2 GLY B 15 16.246 5.791 24.516 1.00 30.76 H new ATOM 0 HA3 GLY B 15 14.986 6.655 24.835 1.00 30.76 H new ATOM 1442 N PRO B 16 15.059 6.950 22.273 1.00 30.17 N ATOM 1443 CA PRO B 16 15.083 7.513 20.922 1.00 29.30 C ATOM 1444 C PRO B 16 14.661 8.977 20.872 1.00 29.57 C ATOM 1445 O PRO B 16 13.628 9.360 21.419 1.00 29.17 O ATOM 1446 CB PRO B 16 14.132 6.601 20.151 1.00 31.68 C ATOM 1447 CG PRO B 16 13.146 6.178 21.199 1.00 34.95 C ATOM 1448 CD PRO B 16 14.029 5.902 22.393 1.00 31.53 C ATOM 0 HA PRO B 16 15.977 7.534 20.546 1.00 29.30 H new ATOM 0 HB2 PRO B 16 13.700 7.069 19.419 1.00 31.68 H new ATOM 0 HB3 PRO B 16 14.596 5.841 19.767 1.00 31.68 H new ATOM 0 HG2 PRO B 16 12.496 6.874 21.384 1.00 34.95 H new ATOM 0 HG3 PRO B 16 12.649 5.390 20.929 1.00 34.95 H new ATOM 0 HD2 PRO B 16 13.540 5.970 23.228 1.00 31.53 H new ATOM 0 HD3 PRO B 16 14.413 5.012 22.361 1.00 31.53 H new ATOM 1449 N TRP B 17 15.490 9.789 20.229 1.00 26.75 N ATOM 1450 CA TRP B 17 15.225 11.208 20.058 1.00 27.31 C ATOM 1451 C TRP B 17 15.424 11.515 18.580 1.00 25.55 C ATOM 1452 O TRP B 17 16.204 10.837 17.901 1.00 26.25 O ATOM 1453 CB TRP B 17 16.195 12.056 20.885 1.00 26.78 C ATOM 1454 CG TRP B 17 15.873 12.123 22.356 1.00 28.07 C ATOM 1455 CD1 TRP B 17 16.152 11.180 23.305 1.00 28.33 C ATOM 1456 CD2 TRP B 17 15.223 13.202 23.038 1.00 27.42 C ATOM 1457 NE1 TRP B 17 15.719 11.609 24.543 1.00 27.78 N ATOM 1458 CE2 TRP B 17 15.142 12.848 24.405 1.00 29.88 C ATOM 1459 CE3 TRP B 17 14.695 14.435 22.625 1.00 28.18 C ATOM 1460 CZ2 TRP B 17 14.556 13.687 25.369 1.00 30.14 C ATOM 1461 CZ3 TRP B 17 14.110 15.271 23.579 1.00 29.97 C ATOM 1462 CH2 TRP B 17 14.046 14.891 24.936 1.00 30.00 C ATOM 0 H TRP B 17 16.230 9.528 19.876 1.00 26.75 H new ATOM 0 HA TRP B 17 14.326 11.418 20.355 1.00 27.31 H new ATOM 0 HB2 TRP B 17 17.090 11.699 20.778 1.00 26.78 H new ATOM 0 HB3 TRP B 17 16.204 12.957 20.527 1.00 26.78 H new ATOM 0 HD1 TRP B 17 16.573 10.367 23.140 1.00 28.33 H new ATOM 0 HE1 TRP B 17 15.797 11.172 25.280 1.00 27.78 H new ATOM 0 HE3 TRP B 17 14.734 14.691 21.732 1.00 28.18 H new ATOM 0 HZ2 TRP B 17 14.514 13.439 26.264 1.00 30.14 H new ATOM 0 HZ3 TRP B 17 13.757 16.090 23.316 1.00 29.97 H new ATOM 0 HH2 TRP B 17 13.651 15.466 25.551 1.00 30.00 H new ATOM 1463 N ARG B 18 14.727 12.535 18.088 1.00 27.30 N ATOM 1464 CA ARG B 18 14.823 12.936 16.690 1.00 25.34 C ATOM 1465 C ARG B 18 15.036 14.437 16.551 1.00 25.02 C ATOM 1466 O ARG B 18 14.534 15.229 17.346 1.00 27.16 O ATOM 1467 CB ARG B 18 13.544 12.551 15.937 1.00 27.49 C ATOM 1468 CG ARG B 18 13.296 11.052 15.860 1.00 26.67 C ATOM 1469 CD ARG B 18 14.313 10.355 14.971 1.00 28.46 C ATOM 1470 NE ARG B 18 14.041 8.921 14.874 1.00 28.04 N ATOM 1471 CZ ARG B 18 14.570 7.987 15.660 1.00 28.11 C ATOM 1472 NH1 ARG B 18 14.239 6.713 15.481 1.00 30.60 N ATOM 1473 NH2 ARG B 18 15.441 8.312 16.604 1.00 27.62 N ATOM 0 H ARG B 18 14.186 13.013 18.555 1.00 27.30 H new ATOM 0 HA ARG B 18 15.587 12.474 16.311 1.00 25.34 H new ATOM 0 HB2 ARG B 18 12.786 12.973 16.371 1.00 27.49 H new ATOM 0 HB3 ARG B 18 13.591 12.908 15.036 1.00 27.49 H new ATOM 0 HG2 ARG B 18 13.332 10.672 16.752 1.00 26.67 H new ATOM 0 HG3 ARG B 18 12.403 10.889 15.518 1.00 26.67 H new ATOM 0 HD2 ARG B 18 14.296 10.750 14.085 1.00 28.46 H new ATOM 0 HD3 ARG B 18 15.205 10.494 15.326 1.00 28.46 H new ATOM 0 HE ARG B 18 13.497 8.661 14.261 1.00 28.04 H new ATOM 0 HH11 ARG B 18 13.686 6.496 14.860 1.00 30.60 H new ATOM 0 HH12 ARG B 18 14.578 6.105 15.986 1.00 30.60 H new ATOM 0 HH21 ARG B 18 15.670 9.134 16.714 1.00 27.62 H new ATOM 0 HH22 ARG B 18 15.778 7.701 17.107 1.00 27.62 H new ATOM 1474 N THR B 19 15.775 14.820 15.522 1.00 25.72 N ATOM 1475 CA THR B 19 16.042 16.226 15.260 1.00 26.85 C ATOM 1476 C THR B 19 14.849 16.840 14.535 1.00 27.66 C ATOM 1477 O THR B 19 14.292 16.225 13.629 1.00 28.87 O ATOM 1478 CB THR B 19 17.277 16.391 14.354 1.00 26.57 C ATOM 1479 OG1 THR B 19 18.386 15.682 14.919 1.00 26.63 O ATOM 1480 CG2 THR B 19 17.644 17.862 14.201 1.00 25.49 C ATOM 0 H THR B 19 16.134 14.278 14.959 1.00 25.72 H new ATOM 0 HA THR B 19 16.200 16.665 16.110 1.00 26.85 H new ATOM 0 HB THR B 19 17.065 16.031 13.479 1.00 26.57 H new ATOM 0 HG1 THR B 19 18.235 15.526 15.730 1.00 26.63 H new ATOM 0 HG21 THR B 19 18.422 17.944 13.628 1.00 25.49 H new ATOM 0 HG22 THR B 19 16.900 18.342 13.805 1.00 25.49 H new ATOM 0 HG23 THR B 19 17.844 18.238 15.072 1.00 25.49 H new ATOM 1481 N VAL B 20 14.450 18.041 14.942 1.00 26.34 N ATOM 1482 CA VAL B 20 13.350 18.730 14.274 1.00 27.90 C ATOM 1483 C VAL B 20 13.958 19.888 13.483 1.00 28.81 C ATOM 1484 O VAL B 20 13.847 19.936 12.259 1.00 27.90 O ATOM 1485 CB VAL B 20 12.306 19.253 15.280 1.00 28.39 C ATOM 1486 CG1 VAL B 20 11.228 20.070 14.551 1.00 30.65 C ATOM 1487 CG2 VAL B 20 11.661 18.074 16.000 1.00 29.02 C ATOM 0 H VAL B 20 14.800 18.472 15.599 1.00 26.34 H new ATOM 0 HA VAL B 20 12.882 18.113 13.689 1.00 27.90 H new ATOM 0 HB VAL B 20 12.747 19.826 15.926 1.00 28.39 H new ATOM 0 HG11 VAL B 20 10.577 20.394 15.193 1.00 30.65 H new ATOM 0 HG12 VAL B 20 11.641 20.824 14.102 1.00 30.65 H new ATOM 0 HG13 VAL B 20 10.784 19.509 13.896 1.00 30.65 H new ATOM 0 HG21 VAL B 20 11.004 18.402 16.634 1.00 29.02 H new ATOM 0 HG22 VAL B 20 11.226 17.498 15.352 1.00 29.02 H new ATOM 0 HG23 VAL B 20 12.343 17.571 16.473 1.00 29.02 H new ATOM 1488 N TYR B 21 14.611 20.812 14.189 1.00 28.56 N ATOM 1489 CA TYR B 21 15.261 21.959 13.555 1.00 26.25 C ATOM 1490 C TYR B 21 16.646 22.198 14.142 1.00 28.14 C ATOM 1491 O TYR B 21 16.873 21.975 15.329 1.00 28.27 O ATOM 1492 CB TYR B 21 14.501 23.266 13.806 1.00 28.88 C ATOM 1493 CG TYR B 21 13.166 23.442 13.125 1.00 30.77 C ATOM 1494 CD1 TYR B 21 13.068 23.502 11.734 1.00 33.28 C ATOM 1495 CD2 TYR B 21 12.011 23.637 13.879 1.00 34.04 C ATOM 1496 CE1 TYR B 21 11.846 23.763 11.111 1.00 35.67 C ATOM 1497 CE2 TYR B 21 10.783 23.897 13.266 1.00 34.44 C ATOM 1498 CZ TYR B 21 10.711 23.962 11.886 1.00 36.37 C ATOM 1499 OH TYR B 21 9.505 24.254 11.285 1.00 38.61 O ATOM 0 H TYR B 21 14.689 20.791 15.045 1.00 28.56 H new ATOM 0 HA TYR B 21 15.291 21.742 12.610 1.00 26.25 H new ATOM 0 HB2 TYR B 21 14.362 23.352 14.762 1.00 28.88 H new ATOM 0 HB3 TYR B 21 15.073 24.001 13.536 1.00 28.88 H new ATOM 0 HD1 TYR B 21 13.827 23.366 11.215 1.00 33.28 H new ATOM 0 HD2 TYR B 21 12.058 23.593 14.807 1.00 34.04 H new ATOM 0 HE1 TYR B 21 11.793 23.803 10.183 1.00 35.67 H new ATOM 0 HE2 TYR B 21 10.020 24.025 13.782 1.00 34.44 H new ATOM 0 HH TYR B 21 8.913 24.346 11.874 1.00 38.61 H new ATOM 1500 N ILE B 22 17.562 22.653 13.295 1.00 27.27 N ATOM 1501 CA ILE B 22 18.896 23.057 13.748 1.00 28.15 C ATOM 1502 C ILE B 22 19.203 24.354 12.998 1.00 28.75 C ATOM 1503 O ILE B 22 19.073 24.409 11.774 1.00 30.31 O ATOM 1504 CB ILE B 22 19.995 22.033 13.424 1.00 27.96 C ATOM 1505 CG1 ILE B 22 19.823 20.793 14.301 1.00 27.38 C ATOM 1506 CG2 ILE B 22 21.382 22.667 13.675 1.00 26.93 C ATOM 1507 CD1 ILE B 22 20.810 19.675 13.993 1.00 27.81 C ATOM 0 H ILE B 22 17.434 22.737 12.449 1.00 27.27 H new ATOM 0 HA ILE B 22 18.891 23.147 14.714 1.00 28.15 H new ATOM 0 HB ILE B 22 19.926 21.772 12.492 1.00 27.96 H new ATOM 0 HG12 ILE B 22 19.920 21.050 15.231 1.00 27.38 H new ATOM 0 HG13 ILE B 22 18.921 20.454 14.193 1.00 27.38 H new ATOM 0 HG21 ILE B 22 22.075 22.020 13.470 1.00 26.93 H new ATOM 0 HG22 ILE B 22 21.489 23.446 13.107 1.00 26.93 H new ATOM 0 HG23 ILE B 22 21.453 22.933 14.605 1.00 26.93 H new ATOM 0 HD11 ILE B 22 20.643 18.924 14.584 1.00 27.81 H new ATOM 0 HD12 ILE B 22 20.701 19.391 13.072 1.00 27.81 H new ATOM 0 HD13 ILE B 22 21.715 19.996 14.127 1.00 27.81 H new ATOM 1508 N GLY B 23 19.571 25.396 13.736 1.00 27.82 N ATOM 1509 CA GLY B 23 19.916 26.669 13.117 1.00 29.28 C ATOM 1510 C GLY B 23 21.394 26.957 13.337 1.00 31.15 C ATOM 1511 O GLY B 23 21.969 26.466 14.305 1.00 30.72 O ATOM 0 H GLY B 23 19.627 25.386 14.594 1.00 27.82 H new ATOM 0 HA2 GLY B 23 19.720 26.641 12.167 1.00 29.28 H new ATOM 0 HA3 GLY B 23 19.378 27.381 13.497 1.00 29.28 H new ATOM 1512 N SER B 24 22.017 27.749 12.464 1.00 29.78 N ATOM 1513 CA SER B 24 23.445 28.051 12.610 1.00 29.56 C ATOM 1514 C SER B 24 23.820 29.466 12.173 1.00 31.73 C ATOM 1515 O SER B 24 23.243 29.995 11.218 1.00 29.76 O ATOM 1516 CB SER B 24 24.266 27.053 11.787 1.00 29.80 C ATOM 1517 OG SER B 24 25.657 27.334 11.853 1.00 31.15 O ATOM 0 H SER B 24 21.637 28.119 11.787 1.00 29.78 H new ATOM 0 HA SER B 24 23.642 27.980 13.557 1.00 29.56 H new ATOM 0 HB2 SER B 24 24.102 26.154 12.111 1.00 29.80 H new ATOM 0 HB3 SER B 24 23.974 27.079 10.862 1.00 29.80 H new ATOM 0 HG SER B 24 25.979 27.339 11.077 1.00 31.15 H new ATOM 1518 N THR B 25 24.784 30.072 12.869 1.00 28.74 N ATOM 1519 CA THR B 25 25.265 31.413 12.511 1.00 31.83 C ATOM 1520 C THR B 25 26.128 31.292 11.252 1.00 33.52 C ATOM 1521 O THR B 25 26.329 32.265 10.526 1.00 34.85 O ATOM 1522 CB THR B 25 26.128 32.061 13.625 1.00 31.21 C ATOM 1523 OG1 THR B 25 27.187 31.173 14.004 1.00 31.25 O ATOM 1524 CG2 THR B 25 25.281 32.389 14.833 1.00 31.20 C ATOM 0 H THR B 25 25.174 29.725 13.553 1.00 28.74 H new ATOM 0 HA THR B 25 24.487 31.976 12.374 1.00 31.83 H new ATOM 0 HB THR B 25 26.507 32.884 13.278 1.00 31.21 H new ATOM 0 HG1 THR B 25 27.795 31.609 14.386 1.00 31.25 H new ATOM 0 HG21 THR B 25 25.837 32.793 15.518 1.00 31.20 H new ATOM 0 HG22 THR B 25 24.580 33.010 14.578 1.00 31.20 H new ATOM 0 HG23 THR B 25 24.882 31.576 15.179 1.00 31.20 H new ATOM 1525 N ASN B 26 26.642 30.091 11.011 1.00 33.77 N ATOM 1526 CA ASN B 26 27.450 29.811 9.829 1.00 38.16 C ATOM 1527 C ASN B 26 26.707 28.732 9.037 1.00 38.29 C ATOM 1528 O ASN B 26 26.751 27.548 9.385 1.00 37.85 O ATOM 1529 CB ASN B 26 28.838 29.295 10.218 1.00 38.60 C ATOM 1530 CG ASN B 26 29.749 29.136 9.016 1.00 42.54 C ATOM 1531 OD1 ASN B 26 29.286 28.868 7.908 1.00 44.99 O ATOM 1532 ND2 ASN B 26 31.051 29.290 9.230 1.00 45.55 N ATOM 0 H ASN B 26 26.532 29.414 11.529 1.00 33.77 H new ATOM 0 HA ASN B 26 27.576 30.620 9.309 1.00 38.16 H new ATOM 0 HB2 ASN B 26 29.244 29.909 10.850 1.00 38.60 H new ATOM 0 HB3 ASN B 26 28.749 28.441 10.669 1.00 38.60 H new ATOM 0 HD21 ASN B 26 31.607 29.203 8.580 1.00 45.55 H new ATOM 0 HD22 ASN B 26 31.338 29.477 10.019 1.00 45.55 H new ATOM 1533 N PRO B 27 26.023 29.128 7.953 1.00 38.88 N ATOM 1534 CA PRO B 27 25.264 28.192 7.118 1.00 40.40 C ATOM 1535 C PRO B 27 26.035 26.976 6.612 1.00 40.77 C ATOM 1536 O PRO B 27 25.461 25.895 6.464 1.00 40.90 O ATOM 1537 CB PRO B 27 24.754 29.081 5.981 1.00 42.16 C ATOM 1538 CG PRO B 27 25.830 30.116 5.859 1.00 42.80 C ATOM 1539 CD PRO B 27 26.103 30.452 7.310 1.00 39.97 C ATOM 0 HA PRO B 27 24.562 27.762 7.632 1.00 40.40 H new ATOM 0 HB2 PRO B 27 24.640 28.582 5.157 1.00 42.16 H new ATOM 0 HB3 PRO B 27 23.895 29.478 6.193 1.00 42.16 H new ATOM 0 HG2 PRO B 27 26.618 29.771 5.411 1.00 42.80 H new ATOM 0 HG3 PRO B 27 25.534 30.891 5.356 1.00 42.80 H new ATOM 0 HD2 PRO B 27 26.974 30.862 7.430 1.00 39.97 H new ATOM 0 HD3 PRO B 27 25.447 31.070 7.669 1.00 39.97 H new ATOM 1540 N GLU B 28 27.331 27.143 6.361 1.00 40.50 N ATOM 1541 CA GLU B 28 28.157 26.049 5.854 1.00 42.10 C ATOM 1542 C GLU B 28 28.199 24.832 6.783 1.00 39.48 C ATOM 1543 O GLU B 28 28.324 23.696 6.323 1.00 38.06 O ATOM 1544 CB GLU B 28 29.589 26.540 5.595 1.00 44.71 C ATOM 1545 CG GLU B 28 30.483 26.613 6.845 1.00 50.15 C ATOM 1546 CD GLU B 28 31.767 27.392 6.608 1.00 53.22 C ATOM 1547 OE1 GLU B 28 32.623 27.424 7.520 1.00 55.48 O ATOM 1548 OE2 GLU B 28 31.919 27.976 5.515 0.10 52.95 O ATOM 0 H GLU B 28 27.752 27.883 6.478 1.00 40.50 H new ATOM 0 HA GLU B 28 27.741 25.761 5.027 1.00 42.10 H new ATOM 0 HB2 GLU B 28 30.007 25.951 4.948 1.00 44.71 H new ATOM 0 HB3 GLU B 28 29.547 27.421 5.191 1.00 44.71 H new ATOM 0 HG2 GLU B 28 29.987 27.028 7.568 1.00 50.15 H new ATOM 0 HG3 GLU B 28 30.704 25.713 7.132 1.00 50.15 H new ATOM 1549 N LYS B 29 28.091 25.066 8.087 1.00 36.65 N ATOM 1550 CA LYS B 29 28.140 23.976 9.054 1.00 35.46 C ATOM 1551 C LYS B 29 26.942 23.030 9.008 1.00 34.86 C ATOM 1552 O LYS B 29 27.044 21.878 9.440 1.00 32.95 O ATOM 1553 CB LYS B 29 28.285 24.540 10.475 1.00 35.92 C ATOM 1554 CG LYS B 29 29.578 25.330 10.706 1.00 35.62 C ATOM 1555 CD LYS B 29 30.830 24.438 10.614 1.00 35.91 C ATOM 1556 CE LYS B 29 32.119 25.273 10.853 1.00 35.72 C ATOM 1557 NZ LYS B 29 33.325 24.412 10.935 1.00 36.93 N ATOM 0 H LYS B 29 27.989 25.847 8.432 1.00 36.65 H new ATOM 0 HA LYS B 29 28.914 23.446 8.806 1.00 35.46 H new ATOM 0 HB2 LYS B 29 27.528 25.116 10.663 1.00 35.92 H new ATOM 0 HB3 LYS B 29 28.248 23.807 11.109 1.00 35.92 H new ATOM 0 HG2 LYS B 29 29.641 26.042 10.050 1.00 35.62 H new ATOM 0 HG3 LYS B 29 29.546 25.751 11.579 1.00 35.62 H new ATOM 0 HD2 LYS B 29 30.774 23.726 11.270 1.00 35.91 H new ATOM 0 HD3 LYS B 29 30.869 24.017 9.741 1.00 35.91 H new ATOM 0 HE2 LYS B 29 32.227 25.914 10.133 1.00 35.72 H new ATOM 0 HE3 LYS B 29 32.028 25.781 11.674 1.00 35.72 H new ATOM 0 HZ1 LYS B 29 34.051 24.923 10.999 1.00 36.93 H new ATOM 0 HZ2 LYS B 29 33.267 23.888 11.652 1.00 36.93 H new ATOM 0 HZ3 LYS B 29 33.381 23.908 10.203 1.00 36.93 H new ATOM 1558 N ILE B 30 25.812 23.501 8.487 1.00 32.89 N ATOM 1559 CA ILE B 30 24.625 22.657 8.434 1.00 35.44 C ATOM 1560 C ILE B 30 24.124 22.344 7.031 1.00 36.82 C ATOM 1561 O ILE B 30 23.063 21.744 6.866 1.00 36.14 O ATOM 1562 CB ILE B 30 23.466 23.251 9.267 1.00 36.46 C ATOM 1563 CG1 ILE B 30 23.166 24.683 8.824 1.00 36.84 C ATOM 1564 CG2 ILE B 30 23.822 23.197 10.752 1.00 36.47 C ATOM 1565 CD1 ILE B 30 21.962 25.288 9.529 1.00 38.94 C ATOM 0 H ILE B 30 25.713 24.292 8.165 1.00 32.89 H new ATOM 0 HA ILE B 30 24.918 21.816 8.818 1.00 35.44 H new ATOM 0 HB ILE B 30 22.665 22.724 9.121 1.00 36.46 H new ATOM 0 HG12 ILE B 30 23.944 25.237 8.992 1.00 36.84 H new ATOM 0 HG13 ILE B 30 23.012 24.694 7.866 1.00 36.84 H new ATOM 0 HG21 ILE B 30 23.094 23.570 11.273 1.00 36.47 H new ATOM 0 HG22 ILE B 30 23.969 22.275 11.016 1.00 36.47 H new ATOM 0 HG23 ILE B 30 24.629 23.711 10.910 1.00 36.47 H new ATOM 0 HD11 ILE B 30 21.821 26.193 9.209 1.00 38.94 H new ATOM 0 HD12 ILE B 30 21.175 24.753 9.342 1.00 38.94 H new ATOM 0 HD13 ILE B 30 22.122 25.305 10.486 1.00 38.94 H new ATOM 1566 N GLN B 31 24.897 22.757 6.030 1.00 38.87 N ATOM 1567 CA GLN B 31 24.572 22.487 4.634 1.00 41.44 C ATOM 1568 C GLN B 31 24.885 21.023 4.375 1.00 42.36 C ATOM 1569 O GLN B 31 25.493 20.358 5.217 1.00 41.01 O ATOM 1570 CB GLN B 31 25.439 23.343 3.711 1.00 43.87 C ATOM 1571 CG GLN B 31 24.844 24.679 3.308 1.00 46.35 C ATOM 1572 CD GLN B 31 25.858 25.546 2.579 0.50 46.09 C ATOM 1573 OE1 GLN B 31 26.711 25.040 1.848 0.50 47.02 O ATOM 1574 NE2 GLN B 31 25.765 26.856 2.769 0.50 47.59 N ATOM 0 H GLN B 31 25.625 23.202 6.142 1.00 38.87 H new ATOM 0 HA GLN B 31 23.639 22.692 4.463 1.00 41.44 H new ATOM 0 HB2 GLN B 31 26.289 23.504 4.150 1.00 43.87 H new ATOM 0 HB3 GLN B 31 25.627 22.835 2.907 1.00 43.87 H new ATOM 0 HG2 GLN B 31 24.073 24.532 2.738 1.00 46.35 H new ATOM 0 HG3 GLN B 31 24.528 25.145 4.098 1.00 46.35 H new ATOM 0 HE21 GLN B 31 25.156 27.173 3.287 0.50 47.59 H new ATOM 0 HE22 GLN B 31 26.314 27.388 2.374 0.50 47.59 H new ATOM 1575 N GLU B 32 24.482 20.514 3.213 1.00 43.51 N ATOM 1576 CA GLU B 32 24.760 19.124 2.887 1.00 45.41 C ATOM 1577 C GLU B 32 26.255 18.906 3.102 1.00 44.89 C ATOM 1578 O GLU B 32 27.069 19.735 2.701 1.00 46.71 O ATOM 1579 CB GLU B 32 24.368 18.824 1.436 1.00 48.12 C ATOM 1580 CG GLU B 32 24.525 17.349 1.043 1.00 51.83 C ATOM 1581 CD GLU B 32 23.712 16.981 -0.184 1.00 53.29 C ATOM 1582 OE1 GLU B 32 22.466 17.065 -0.116 0.50 53.12 O ATOM 1583 OE2 GLU B 32 24.318 16.610 -1.211 0.50 52.80 O ATOM 0 H GLU B 32 24.053 20.951 2.610 1.00 43.51 H new ATOM 0 HA GLU B 32 24.244 18.526 3.450 1.00 45.41 H new ATOM 0 HB2 GLU B 32 23.446 19.090 1.298 1.00 48.12 H new ATOM 0 HB3 GLU B 32 24.912 19.367 0.844 1.00 48.12 H new ATOM 0 HG2 GLU B 32 25.462 17.161 0.874 1.00 51.83 H new ATOM 0 HG3 GLU B 32 24.253 16.789 1.787 1.00 51.83 H new ATOM 1584 N ASN B 33 26.600 17.800 3.755 1.00 44.38 N ATOM 1585 CA ASN B 33 27.986 17.457 4.074 1.00 44.15 C ATOM 1586 C ASN B 33 28.587 18.320 5.188 1.00 42.13 C ATOM 1587 O ASN B 33 29.784 18.244 5.467 1.00 42.28 O ATOM 1588 CB ASN B 33 28.866 17.519 2.823 1.00 47.58 C ATOM 1589 CG ASN B 33 28.695 16.299 1.942 1.00 49.78 C ATOM 1590 OD1 ASN B 33 28.968 15.175 2.363 1.00 50.62 O ATOM 1591 ND2 ASN B 33 28.232 16.513 0.714 1.00 51.80 N ATOM 0 H ASN B 33 26.029 17.219 4.030 1.00 44.38 H new ATOM 0 HA ASN B 33 27.964 16.547 4.409 1.00 44.15 H new ATOM 0 HB2 ASN B 33 28.647 18.316 2.315 1.00 47.58 H new ATOM 0 HB3 ASN B 33 29.796 17.597 3.087 1.00 47.58 H new ATOM 0 HD21 ASN B 33 28.112 15.851 0.178 1.00 51.80 H new ATOM 0 HD22 ASN B 33 28.052 17.313 0.456 1.00 51.80 H new ATOM 1592 N GLY B 34 27.751 19.138 5.820 1.00 39.54 N ATOM 1593 CA GLY B 34 28.219 19.966 6.917 1.00 37.92 C ATOM 1594 C GLY B 34 28.279 19.074 8.145 1.00 36.50 C ATOM 1595 O GLY B 34 27.435 18.190 8.293 1.00 35.33 O ATOM 0 H GLY B 34 26.917 19.226 5.629 1.00 39.54 H new ATOM 0 HA2 GLY B 34 29.093 20.338 6.719 1.00 37.92 H new ATOM 0 HA3 GLY B 34 27.619 20.714 7.064 1.00 37.92 H new ATOM 1596 N PRO B 35 29.254 19.273 9.043 1.00 34.81 N ATOM 1597 CA PRO B 35 29.356 18.432 10.240 1.00 34.73 C ATOM 1598 C PRO B 35 28.231 18.547 11.266 1.00 31.98 C ATOM 1599 O PRO B 35 28.067 17.651 12.102 1.00 31.96 O ATOM 1600 CB PRO B 35 30.723 18.814 10.816 1.00 34.36 C ATOM 1601 CG PRO B 35 30.884 20.243 10.390 1.00 37.50 C ATOM 1602 CD PRO B 35 30.379 20.220 8.964 1.00 35.97 C ATOM 0 HA PRO B 35 29.266 17.497 9.999 1.00 34.73 H new ATOM 0 HB2 PRO B 35 30.744 18.723 11.781 1.00 34.36 H new ATOM 0 HB3 PRO B 35 31.431 18.252 10.463 1.00 34.36 H new ATOM 0 HG2 PRO B 35 30.367 20.846 10.946 1.00 37.50 H new ATOM 0 HG3 PRO B 35 31.808 20.533 10.441 1.00 37.50 H new ATOM 0 HD2 PRO B 35 30.092 21.098 8.668 1.00 35.97 H new ATOM 0 HD3 PRO B 35 31.061 19.920 8.343 1.00 35.97 H new ATOM 1603 N PHE B 36 27.454 19.627 11.220 1.00 31.43 N ATOM 1604 CA PHE B 36 26.371 19.761 12.187 1.00 31.87 C ATOM 1605 C PHE B 36 24.964 19.490 11.664 1.00 31.42 C ATOM 1606 O PHE B 36 23.976 19.835 12.310 1.00 30.28 O ATOM 1607 CB PHE B 36 26.450 21.114 12.905 1.00 32.25 C ATOM 1608 CG PHE B 36 27.564 21.180 13.912 1.00 33.71 C ATOM 1609 CD1 PHE B 36 28.850 21.541 13.525 1.00 34.68 C ATOM 1610 CD2 PHE B 36 27.344 20.789 15.232 1.00 35.31 C ATOM 1611 CE1 PHE B 36 29.910 21.516 14.438 1.00 34.31 C ATOM 1612 CE2 PHE B 36 28.395 20.758 16.156 1.00 34.54 C ATOM 1613 CZ PHE B 36 29.681 21.119 15.755 1.00 32.55 C ATOM 0 H PHE B 36 27.533 20.272 10.657 1.00 31.43 H new ATOM 0 HA PHE B 36 26.522 19.041 12.819 1.00 31.87 H new ATOM 0 HB2 PHE B 36 26.573 21.817 12.248 1.00 32.25 H new ATOM 0 HB3 PHE B 36 25.606 21.287 13.351 1.00 32.25 H new ATOM 0 HD1 PHE B 36 29.008 21.803 12.647 1.00 34.68 H new ATOM 0 HD2 PHE B 36 26.488 20.546 15.502 1.00 35.31 H new ATOM 0 HE1 PHE B 36 30.765 21.763 14.167 1.00 34.31 H new ATOM 0 HE2 PHE B 36 28.236 20.497 17.035 1.00 34.54 H new ATOM 0 HZ PHE B 36 30.384 21.095 16.364 1.00 32.55 H new ATOM 1614 N AARG B 37 24.876 18.885 10.482 0.76 32.27 N ATOM 1615 N BARG B 37 24.881 18.880 10.487 0.50 31.74 N ATOM 1616 CA AARG B 37 23.576 18.519 9.915 0.76 33.36 C ATOM 1617 CA BARG B 37 23.591 18.519 9.904 0.50 32.34 C ATOM 1618 C AARG B 37 23.337 17.119 10.467 0.76 32.86 C ATOM 1619 C BARG B 37 23.343 17.120 10.464 0.50 31.98 C ATOM 1620 O AARG B 37 23.331 16.121 9.743 0.76 33.74 O ATOM 1621 O BARG B 37 23.331 16.125 9.738 0.50 32.74 O ATOM 1622 CB AARG B 37 23.626 18.487 8.384 0.76 35.76 C ATOM 1623 CB BARG B 37 23.688 18.488 8.375 0.50 33.75 C ATOM 1624 CG AARG B 37 22.323 17.936 7.728 0.76 39.84 C ATOM 1625 CG BARG B 37 22.373 18.141 7.666 0.50 36.35 C ATOM 1626 CD AARG B 37 22.397 17.991 6.204 0.76 41.53 C ATOM 1627 CD BARG B 37 22.525 18.193 6.130 0.50 37.22 C ATOM 1628 NE AARG B 37 22.255 19.358 5.724 0.76 43.00 N ATOM 1629 NE BARG B 37 21.336 17.665 5.467 0.50 38.88 N ATOM 1630 CZ AARG B 37 21.250 19.785 4.967 0.76 42.57 C ATOM 1631 CZ BARG B 37 21.204 16.412 5.040 0.50 39.83 C ATOM 1632 NH1AARG B 37 20.289 18.953 4.592 0.76 45.57 N ATOM 1633 NH1BARG B 37 22.191 15.538 5.188 0.50 39.32 N ATOM 1634 NH2AARG B 37 21.201 21.054 4.597 0.76 41.63 N ATOM 1635 NH2BARG B 37 20.065 16.027 4.485 0.50 41.21 N ATOM 0 H AARG B 37 25.552 18.678 9.993 0.76 31.74 H new ATOM 0 H BARG B 37 25.562 18.665 10.007 0.50 31.74 H new ATOM 0 HA AARG B 37 22.877 19.151 10.144 0.76 32.34 H new ATOM 0 HA BARG B 37 22.880 19.144 10.114 0.50 32.34 H new ATOM 0 HB2AARG B 37 23.790 19.384 8.055 0.76 33.75 H new ATOM 0 HB2BARG B 37 23.992 19.355 8.063 0.50 33.75 H new ATOM 0 HB3AARG B 37 24.376 17.940 8.104 0.76 33.75 H new ATOM 0 HB3BARG B 37 24.363 17.841 8.117 0.50 33.75 H new ATOM 0 HG2AARG B 37 22.178 17.020 8.013 0.76 36.35 H new ATOM 0 HG2BARG B 37 22.084 17.254 7.934 0.50 36.35 H new ATOM 0 HG3AARG B 37 21.561 18.453 8.035 0.76 36.35 H new ATOM 0 HG3BARG B 37 21.681 18.761 7.945 0.50 36.35 H new ATOM 0 HD2AARG B 37 23.244 17.626 5.905 0.76 37.22 H new ATOM 0 HD2BARG B 37 22.677 19.108 5.848 0.50 37.22 H new ATOM 0 HD3AARG B 37 21.698 17.436 5.823 0.76 37.22 H new ATOM 0 HD3BARG B 37 23.303 17.680 5.861 0.50 37.22 H new ATOM 0 HE AARG B 37 22.861 19.926 5.945 0.76 38.88 H new ATOM 0 HE BARG B 37 20.675 18.201 5.344 0.50 38.88 H new ATOM 0 HH11AARG B 37 20.313 18.129 4.839 0.76 39.32 H new ATOM 0 HH11BARG B 37 22.926 15.779 5.563 0.50 39.32 H new ATOM 0 HH12AARG B 37 19.642 19.237 4.102 0.76 39.32 H new ATOM 0 HH12BARG B 37 22.096 14.730 4.909 0.50 39.32 H new ATOM 0 HH21AARG B 37 21.818 21.599 4.846 0.76 41.21 H new ATOM 0 HH21BARG B 37 19.416 16.586 4.402 0.50 41.21 H new ATOM 0 HH22AARG B 37 20.552 21.334 4.107 0.76 41.21 H new ATOM 0 HH22BARG B 37 19.974 15.218 4.207 0.50 41.21 H new ATOM 1636 N THR B 38 23.151 17.066 11.779 1.00 30.46 N ATOM 1637 CA THR B 38 22.965 15.816 12.493 1.00 29.13 C ATOM 1638 C THR B 38 21.558 15.286 12.739 1.00 26.66 C ATOM 1639 O THR B 38 20.718 15.970 13.316 1.00 30.59 O ATOM 1640 CB THR B 38 23.652 15.930 13.860 1.00 28.15 C ATOM 1641 OG1 THR B 38 23.026 16.984 14.598 1.00 27.99 O ATOM 1642 CG2 THR B 38 25.127 16.278 13.699 1.00 27.75 C ATOM 0 H ATHR B 38 23.129 17.762 12.283 0.76 30.46 H new ATOM 0 H BTHR B 38 23.125 17.762 12.283 0.50 30.46 H new ATOM 0 HA THR B 38 23.347 15.171 11.877 1.00 29.13 H new ATOM 0 HB THR B 38 23.573 15.079 14.319 1.00 28.15 H new ATOM 0 HG1 THR B 38 22.212 17.023 14.396 1.00 27.99 H new ATOM 0 HG21 THR B 38 25.541 16.345 14.574 1.00 27.75 H new ATOM 0 HG22 THR B 38 25.569 15.584 13.185 1.00 27.75 H new ATOM 0 HG23 THR B 38 25.211 17.126 13.236 1.00 27.75 H new ATOM 1643 N TYR B 39 21.324 14.048 12.317 1.00 27.14 N ATOM 1644 CA TYR B 39 20.042 13.386 12.540 1.00 26.69 C ATOM 1645 C TYR B 39 20.194 12.546 13.811 1.00 24.71 C ATOM 1646 O TYR B 39 20.894 11.535 13.809 1.00 27.35 O ATOM 1647 CB TYR B 39 19.693 12.458 11.372 1.00 28.60 C ATOM 1648 CG TYR B 39 19.119 13.160 10.164 1.00 31.76 C ATOM 1649 CD1 TYR B 39 19.939 13.843 9.268 1.00 34.31 C ATOM 1650 CD2 TYR B 39 17.743 13.147 9.923 1.00 34.80 C ATOM 1651 CE1 TYR B 39 19.403 14.497 8.154 1.00 35.92 C ATOM 1652 CE2 TYR B 39 17.197 13.797 8.820 1.00 36.75 C ATOM 1653 CZ TYR B 39 18.030 14.468 7.940 1.00 36.34 C ATOM 1654 OH TYR B 39 17.487 15.106 6.848 1.00 40.62 O ATOM 0 H TYR B 39 21.901 13.569 11.895 1.00 27.14 H new ATOM 0 HA TYR B 39 19.336 14.046 12.620 1.00 26.69 H new ATOM 0 HB2 TYR B 39 20.493 11.979 11.104 1.00 28.60 H new ATOM 0 HB3 TYR B 39 19.055 11.795 11.680 1.00 28.60 H new ATOM 0 HD1 TYR B 39 20.857 13.864 9.413 1.00 34.31 H new ATOM 0 HD2 TYR B 39 17.181 12.695 10.511 1.00 34.80 H new ATOM 0 HE1 TYR B 39 19.961 14.947 7.561 1.00 35.92 H new ATOM 0 HE2 TYR B 39 16.279 13.781 8.675 1.00 36.75 H new ATOM 0 HH TYR B 39 17.795 14.767 6.144 1.00 40.62 H new ATOM 1655 N PHE B 40 19.547 12.961 14.894 1.00 25.12 N ATOM 1656 CA PHE B 40 19.648 12.217 16.148 1.00 25.59 C ATOM 1657 C PHE B 40 19.001 10.833 16.101 1.00 27.86 C ATOM 1658 O PHE B 40 18.005 10.613 15.405 1.00 27.27 O ATOM 1659 CB PHE B 40 19.035 13.017 17.307 1.00 26.89 C ATOM 1660 CG PHE B 40 19.962 14.049 17.910 1.00 28.63 C ATOM 1661 CD1 PHE B 40 19.775 14.475 19.228 1.00 28.88 C ATOM 1662 CD2 PHE B 40 20.993 14.617 17.161 1.00 28.30 C ATOM 1663 CE1 PHE B 40 20.589 15.463 19.789 1.00 31.11 C ATOM 1664 CE2 PHE B 40 21.817 15.608 17.709 1.00 31.68 C ATOM 1665 CZ PHE B 40 21.618 16.028 19.028 1.00 33.74 C ATOM 0 H PHE B 40 19.050 13.662 14.927 1.00 25.12 H new ATOM 0 HA PHE B 40 20.598 12.084 16.291 1.00 25.59 H new ATOM 0 HB2 PHE B 40 18.234 13.463 16.990 1.00 26.89 H new ATOM 0 HB3 PHE B 40 18.760 12.399 18.002 1.00 26.89 H new ATOM 0 HD1 PHE B 40 19.098 14.095 19.740 1.00 28.88 H new ATOM 0 HD2 PHE B 40 21.135 14.334 16.287 1.00 28.30 H new ATOM 0 HE1 PHE B 40 20.447 15.744 20.664 1.00 31.11 H new ATOM 0 HE2 PHE B 40 22.495 15.986 17.197 1.00 31.68 H new ATOM 0 HZ PHE B 40 22.168 16.681 19.398 1.00 33.74 H new ATOM 1666 N ARG B 41 19.591 9.899 16.845 1.00 24.49 N ATOM 1667 CA ARG B 41 19.086 8.535 16.938 1.00 26.16 C ATOM 1668 C ARG B 41 18.652 8.271 18.378 1.00 26.30 C ATOM 1669 O ARG B 41 17.494 7.933 18.637 1.00 25.50 O ATOM 1670 CB ARG B 41 20.182 7.536 16.563 1.00 28.19 C ATOM 1671 CG ARG B 41 20.608 7.547 15.077 1.00 31.03 C ATOM 1672 CD ARG B 41 22.148 7.148 14.924 1.00 32.79 C ATOM 1673 NE ARG B 41 22.491 5.903 15.617 1.00 32.65 N ATOM 1674 CZ ARG B 41 23.728 5.561 15.965 1.00 34.67 C ATOM 1675 NH1 ARG B 41 23.952 4.410 16.594 1.00 35.87 N ATOM 1676 NH2 ARG B 41 24.747 6.373 15.693 1.00 32.18 N ATOM 0 H ARG B 41 20.299 10.042 17.312 1.00 24.49 H new ATOM 0 HA ARG B 41 18.338 8.429 16.329 1.00 26.16 H new ATOM 0 HB2 ARG B 41 20.963 7.716 17.109 1.00 28.19 H new ATOM 0 HB3 ARG B 41 19.877 6.644 16.790 1.00 28.19 H new ATOM 0 HG2 ARG B 41 20.057 6.927 14.574 1.00 31.03 H new ATOM 0 HG3 ARG B 41 20.459 8.428 14.700 1.00 31.03 H new ATOM 0 HD2 ARG B 41 22.361 7.057 13.982 1.00 32.79 H new ATOM 0 HD3 ARG B 41 22.699 7.867 15.271 1.00 32.79 H new ATOM 0 HE ARG B 41 21.853 5.360 15.811 1.00 32.65 H new ATOM 0 HH11 ARG B 41 23.296 3.885 16.777 1.00 35.87 H new ATOM 0 HH12 ARG B 41 24.753 4.191 16.818 1.00 35.87 H new ATOM 0 HH21 ARG B 41 24.606 7.120 15.292 1.00 32.18 H new ATOM 0 HH22 ARG B 41 25.546 6.150 15.919 1.00 32.18 H new ATOM 1677 N GLU B 42 19.596 8.432 19.304 1.00 25.87 N ATOM 1678 CA GLU B 42 19.344 8.189 20.727 1.00 29.24 C ATOM 1679 C GLU B 42 20.179 9.091 21.620 1.00 28.79 C ATOM 1680 O GLU B 42 21.252 9.548 21.230 1.00 28.77 O ATOM 1681 CB GLU B 42 19.699 6.746 21.115 1.00 31.75 C ATOM 1682 CG GLU B 42 18.827 5.643 20.557 1.00 36.99 C ATOM 1683 CD GLU B 42 19.281 4.261 21.026 1.00 38.05 C ATOM 1684 OE1 GLU B 42 19.248 3.992 22.248 1.00 38.42 O ATOM 1685 OE2 GLU B 42 19.678 3.443 20.171 1.00 40.38 O ATOM 0 H GLU B 42 20.399 8.684 19.127 1.00 25.87 H new ATOM 0 HA GLU B 42 18.399 8.368 20.857 1.00 29.24 H new ATOM 0 HB2 GLU B 42 20.613 6.576 20.836 1.00 31.75 H new ATOM 0 HB3 GLU B 42 19.681 6.682 22.083 1.00 31.75 H new ATOM 0 HG2 GLU B 42 17.908 5.790 20.829 1.00 36.99 H new ATOM 0 HG3 GLU B 42 18.845 5.677 19.588 1.00 36.99 H new ATOM 1686 N LEU B 43 19.676 9.334 22.829 1.00 28.04 N ATOM 1687 CA LEU B 43 20.406 10.113 23.824 1.00 29.37 C ATOM 1688 C LEU B 43 20.367 9.295 25.105 1.00 29.87 C ATOM 1689 O LEU B 43 19.354 8.670 25.415 1.00 29.22 O ATOM 1690 CB LEU B 43 19.747 11.467 24.095 1.00 29.58 C ATOM 1691 CG LEU B 43 19.689 12.512 22.983 1.00 31.85 C ATOM 1692 CD1 LEU B 43 19.048 13.791 23.532 1.00 31.84 C ATOM 1693 CD2 LEU B 43 21.095 12.791 22.467 1.00 32.59 C ATOM 0 H LEU B 43 18.907 9.054 23.093 1.00 28.04 H new ATOM 0 HA LEU B 43 21.305 10.289 23.506 1.00 29.37 H new ATOM 0 HB2 LEU B 43 18.836 11.295 24.380 1.00 29.58 H new ATOM 0 HB3 LEU B 43 20.208 11.869 24.848 1.00 29.58 H new ATOM 0 HG LEU B 43 19.153 12.183 22.245 1.00 31.85 H new ATOM 0 HD11 LEU B 43 19.008 14.460 22.831 1.00 31.84 H new ATOM 0 HD12 LEU B 43 18.150 13.595 23.843 1.00 31.84 H new ATOM 0 HD13 LEU B 43 19.579 14.129 24.270 1.00 31.84 H new ATOM 0 HD21 LEU B 43 21.055 13.455 21.761 1.00 32.59 H new ATOM 0 HD22 LEU B 43 21.646 13.124 23.193 1.00 32.59 H new ATOM 0 HD23 LEU B 43 21.480 11.972 22.118 1.00 32.59 H new ATOM 1694 N VAL B 44 21.475 9.279 25.835 1.00 30.68 N ATOM 1695 CA VAL B 44 21.514 8.558 27.100 1.00 32.08 C ATOM 1696 C VAL B 44 21.982 9.530 28.173 1.00 31.54 C ATOM 1697 O VAL B 44 23.086 10.069 28.092 1.00 31.66 O ATOM 1698 CB VAL B 44 22.477 7.348 27.052 1.00 32.80 C ATOM 1699 CG1 VAL B 44 22.387 6.564 28.364 1.00 33.73 C ATOM 1700 CG2 VAL B 44 22.125 6.446 25.880 1.00 34.14 C ATOM 0 H VAL B 44 22.208 9.674 25.619 1.00 30.68 H new ATOM 0 HA VAL B 44 20.628 8.213 27.291 1.00 32.08 H new ATOM 0 HB VAL B 44 23.385 7.670 26.936 1.00 32.80 H new ATOM 0 HG11 VAL B 44 22.992 5.806 28.331 1.00 33.73 H new ATOM 0 HG12 VAL B 44 22.633 7.141 29.104 1.00 33.73 H new ATOM 0 HG13 VAL B 44 21.479 6.247 28.490 1.00 33.73 H new ATOM 0 HG21 VAL B 44 22.734 5.691 25.858 1.00 34.14 H new ATOM 0 HG22 VAL B 44 21.215 6.125 25.981 1.00 34.14 H new ATOM 0 HG23 VAL B 44 22.201 6.946 25.052 1.00 34.14 H new ATOM 1701 N PHE B 45 21.129 9.766 29.166 1.00 32.46 N ATOM 1702 CA PHE B 45 21.463 10.671 30.256 1.00 34.06 C ATOM 1703 C PHE B 45 21.901 9.856 31.469 1.00 35.02 C ATOM 1704 O PHE B 45 21.268 8.860 31.807 1.00 35.68 O ATOM 1705 CB PHE B 45 20.255 11.524 30.653 1.00 35.23 C ATOM 1706 CG PHE B 45 19.791 12.475 29.583 1.00 35.52 C ATOM 1707 CD1 PHE B 45 18.936 12.048 28.574 1.00 37.32 C ATOM 1708 CD2 PHE B 45 20.186 13.807 29.606 1.00 36.28 C ATOM 1709 CE1 PHE B 45 18.488 12.937 27.590 1.00 36.08 C ATOM 1710 CE2 PHE B 45 19.747 14.703 28.631 1.00 37.85 C ATOM 1711 CZ PHE B 45 18.889 14.266 27.624 1.00 34.87 C ATOM 0 H PHE B 45 20.349 9.409 29.225 1.00 32.46 H new ATOM 0 HA PHE B 45 22.177 11.256 29.958 1.00 34.06 H new ATOM 0 HB2 PHE B 45 19.521 10.936 30.889 1.00 35.23 H new ATOM 0 HB3 PHE B 45 20.478 12.032 31.448 1.00 35.23 H new ATOM 0 HD1 PHE B 45 18.658 11.161 28.552 1.00 37.32 H new ATOM 0 HD2 PHE B 45 20.751 14.106 30.281 1.00 36.28 H new ATOM 0 HE1 PHE B 45 17.923 12.638 26.915 1.00 36.08 H new ATOM 0 HE2 PHE B 45 20.026 15.590 28.653 1.00 37.85 H new ATOM 0 HZ PHE B 45 18.586 14.862 26.977 1.00 34.87 H new ATOM 1712 N ASP B 46 22.986 10.271 32.112 1.00 35.99 N ATOM 1713 CA ASP B 46 23.472 9.572 33.298 1.00 38.78 C ATOM 1714 C ASP B 46 23.638 10.583 34.423 1.00 39.90 C ATOM 1715 O ASP B 46 24.594 11.361 34.437 1.00 39.53 O ATOM 1716 CB ASP B 46 24.814 8.891 33.024 1.00 38.58 C ATOM 1717 CG ASP B 46 25.208 7.913 34.122 1.00 43.53 C ATOM 1718 OD1 ASP B 46 25.079 8.262 35.316 1.00 40.35 O ATOM 1719 OD2 ASP B 46 25.655 6.796 33.788 1.00 45.93 O ATOM 0 H ASP B 46 23.455 10.953 31.880 1.00 35.99 H new ATOM 0 HA ASP B 46 22.831 8.887 33.545 1.00 38.78 H new ATOM 0 HB2 ASP B 46 24.767 8.420 32.177 1.00 38.58 H new ATOM 0 HB3 ASP B 46 25.504 9.567 32.935 1.00 38.58 H new ATOM 1720 N ASP B 47 22.697 10.562 35.361 1.00 43.59 N ATOM 1721 CA ASP B 47 22.698 11.472 36.503 1.00 46.92 C ATOM 1722 C ASP B 47 23.942 11.292 37.367 1.00 47.03 C ATOM 1723 O ASP B 47 24.542 12.265 37.823 1.00 49.04 O ATOM 1724 CB ASP B 47 21.458 11.229 37.367 1.00 50.75 C ATOM 1725 CG ASP B 47 20.198 11.043 36.547 1.00 54.98 C ATOM 1726 OD1 ASP B 47 19.116 10.867 37.148 1.00 58.99 O ATOM 1727 OD2 ASP B 47 20.283 11.067 35.301 1.00 58.83 O ATOM 0 H ASP B 47 22.034 10.015 35.353 1.00 43.59 H new ATOM 0 HA ASP B 47 22.693 12.376 36.152 1.00 46.92 H new ATOM 0 HB2 ASP B 47 21.601 10.442 37.916 1.00 50.75 H new ATOM 0 HB3 ASP B 47 21.338 11.978 37.971 1.00 50.75 H new ATOM 1728 N GLU B 48 24.317 10.039 37.590 1.00 46.85 N ATOM 1729 CA GLU B 48 25.475 9.708 38.407 1.00 48.22 C ATOM 1730 C GLU B 48 26.789 10.279 37.903 1.00 47.94 C ATOM 1731 O GLU B 48 27.512 10.942 38.646 1.00 48.18 O ATOM 1732 CB GLU B 48 25.619 8.195 38.513 1.00 51.51 C ATOM 1733 CG GLU B 48 25.407 7.685 39.863 1.00 56.93 C ATOM 1734 CD GLU B 48 25.621 6.190 39.963 1.00 59.29 C ATOM 1735 OE1 GLU B 48 26.752 5.726 39.695 1.00 60.64 O ATOM 1736 OE2 GLU B 48 24.654 5.483 40.314 1.00 61.69 O ATOM 0 H GLU B 48 23.905 9.355 37.271 1.00 46.85 H new ATOM 0 HA GLU B 48 25.303 10.116 39.270 1.00 48.22 H new ATOM 0 HB2 GLU B 48 24.985 7.774 37.912 1.00 51.51 H new ATOM 0 HB3 GLU B 48 26.506 7.940 38.214 1.00 51.51 H new ATOM 0 HG2 GLU B 48 26.011 8.136 40.474 1.00 56.93 H new ATOM 0 HG3 GLU B 48 24.505 7.898 40.147 1.00 56.93 H new ATOM 1737 N LYS B 49 27.101 10.006 36.641 1.00 45.15 N ATOM 1738 CA LYS B 49 28.347 10.470 36.048 1.00 44.40 C ATOM 1739 C LYS B 49 28.294 11.894 35.512 1.00 41.34 C ATOM 1740 O LYS B 49 29.330 12.489 35.239 1.00 41.36 O ATOM 1741 CB LYS B 49 28.771 9.523 34.923 1.00 47.22 C ATOM 1742 CG LYS B 49 28.996 8.076 35.380 1.00 51.50 C ATOM 1743 CD LYS B 49 29.615 7.238 34.262 1.00 54.09 C ATOM 1744 CE LYS B 49 29.844 5.797 34.708 1.00 56.31 C ATOM 1745 NZ LYS B 49 28.567 5.123 35.069 1.00 58.29 N ATOM 0 H LYS B 49 26.601 9.551 36.109 1.00 45.15 H new ATOM 0 HA LYS B 49 28.997 10.472 36.768 1.00 44.40 H new ATOM 0 HB2 LYS B 49 28.091 9.532 34.231 1.00 47.22 H new ATOM 0 HB3 LYS B 49 29.589 9.857 34.522 1.00 47.22 H new ATOM 0 HG2 LYS B 49 29.577 8.065 36.156 1.00 51.50 H new ATOM 0 HG3 LYS B 49 28.151 7.684 35.653 1.00 51.50 H new ATOM 0 HD2 LYS B 49 29.033 7.250 33.486 1.00 54.09 H new ATOM 0 HD3 LYS B 49 30.458 7.632 33.989 1.00 54.09 H new ATOM 0 HE2 LYS B 49 30.281 5.303 33.996 1.00 56.31 H new ATOM 0 HE3 LYS B 49 30.443 5.785 35.471 1.00 56.31 H new ATOM 0 HZ1 LYS B 49 28.704 4.247 35.141 1.00 58.29 H new ATOM 0 HZ2 LYS B 49 28.272 5.442 35.846 1.00 58.29 H new ATOM 0 HZ3 LYS B 49 27.960 5.277 34.436 1.00 58.29 H new ATOM 1746 N GLY B 50 27.091 12.438 35.371 1.00 39.15 N ATOM 1747 CA GLY B 50 26.954 13.783 34.845 1.00 37.80 C ATOM 1748 C GLY B 50 27.353 13.795 33.378 1.00 37.52 C ATOM 1749 O GLY B 50 28.121 14.646 32.931 1.00 37.46 O ATOM 0 H GLY B 50 26.351 12.048 35.572 1.00 39.15 H new ATOM 0 HA2 GLY B 50 26.039 14.088 34.944 1.00 37.80 H new ATOM 0 HA3 GLY B 50 27.513 14.396 35.348 1.00 37.80 H new ATOM 1750 N THR B 51 26.833 12.840 32.619 1.00 33.89 N ATOM 1751 CA THR B 51 27.162 12.760 31.200 1.00 31.84 C ATOM 1752 C THR B 51 25.946 12.565 30.319 1.00 31.41 C ATOM 1753 O THR B 51 24.890 12.133 30.764 1.00 30.82 O ATOM 1754 CB THR B 51 28.116 11.580 30.892 1.00 30.41 C ATOM 1755 OG1 THR B 51 27.504 10.351 31.301 1.00 32.55 O ATOM 1756 CG2 THR B 51 29.455 11.753 31.606 1.00 32.70 C ATOM 0 H THR B 51 26.293 12.233 32.901 1.00 33.89 H new ATOM 0 HA THR B 51 27.582 13.612 31.004 1.00 31.84 H new ATOM 0 HB THR B 51 28.283 11.562 29.937 1.00 30.41 H new ATOM 0 HG1 THR B 51 26.973 10.090 30.705 1.00 32.55 H new ATOM 0 HG21 THR B 51 30.033 11.002 31.397 1.00 32.70 H new ATOM 0 HG22 THR B 51 29.875 12.576 31.311 1.00 32.70 H new ATOM 0 HG23 THR B 51 29.309 11.791 32.564 1.00 32.70 H new ATOM 1757 N VAL B 52 26.103 12.911 29.049 1.00 30.65 N ATOM 1758 CA VAL B 52 25.043 12.699 28.089 1.00 30.86 C ATOM 1759 C VAL B 52 25.753 12.077 26.899 1.00 29.66 C ATOM 1760 O VAL B 52 26.749 12.624 26.424 1.00 33.44 O ATOM 1761 CB VAL B 52 24.375 14.009 27.634 1.00 32.48 C ATOM 1762 CG1 VAL B 52 23.363 13.698 26.539 1.00 34.92 C ATOM 1763 CG2 VAL B 52 23.681 14.691 28.810 1.00 34.66 C ATOM 0 H VAL B 52 26.816 13.269 28.727 1.00 30.65 H new ATOM 0 HA VAL B 52 24.336 12.156 28.472 1.00 30.86 H new ATOM 0 HB VAL B 52 25.053 14.611 27.290 1.00 32.48 H new ATOM 0 HG11 VAL B 52 22.938 14.520 26.248 1.00 34.92 H new ATOM 0 HG12 VAL B 52 23.816 13.285 25.787 1.00 34.92 H new ATOM 0 HG13 VAL B 52 22.689 13.091 26.884 1.00 34.92 H new ATOM 0 HG21 VAL B 52 23.265 15.514 28.508 1.00 34.66 H new ATOM 0 HG22 VAL B 52 23.002 14.100 29.172 1.00 34.66 H new ATOM 0 HG23 VAL B 52 24.334 14.893 29.498 1.00 34.66 H new ATOM 1764 N ASP B 53 25.279 10.920 26.454 1.00 29.29 N ATOM 1765 CA ASP B 53 25.872 10.264 25.292 1.00 29.82 C ATOM 1766 C ASP B 53 24.957 10.551 24.116 1.00 27.83 C ATOM 1767 O ASP B 53 23.753 10.312 24.189 1.00 29.85 O ATOM 1768 CB ASP B 53 25.991 8.742 25.486 1.00 31.47 C ATOM 1769 CG ASP B 53 27.134 8.350 26.412 1.00 35.55 C ATOM 1770 OD1 ASP B 53 26.879 8.147 27.613 1.00 38.66 O ATOM 1771 OD2 ASP B 53 28.289 8.247 25.942 1.00 32.75 O ATOM 0 H ASP B 53 24.618 10.498 26.807 1.00 29.29 H new ATOM 0 HA ASP B 53 26.770 10.602 25.150 1.00 29.82 H new ATOM 0 HB2 ASP B 53 25.158 8.400 25.846 1.00 31.47 H new ATOM 0 HB3 ASP B 53 26.121 8.320 24.622 1.00 31.47 H new ATOM 1772 N PHE B 54 25.542 11.081 23.045 1.00 28.29 N ATOM 1773 CA PHE B 54 24.822 11.424 21.824 1.00 27.78 C ATOM 1774 C PHE B 54 25.074 10.394 20.742 1.00 27.18 C ATOM 1775 O PHE B 54 26.223 10.010 20.504 1.00 26.03 O ATOM 1776 CB PHE B 54 25.306 12.767 21.268 1.00 27.89 C ATOM 1777 CG PHE B 54 24.906 13.953 22.079 1.00 31.21 C ATOM 1778 CD1 PHE B 54 23.781 14.693 21.739 1.00 33.94 C ATOM 1779 CD2 PHE B 54 25.650 14.331 23.188 1.00 33.49 C ATOM 1780 CE1 PHE B 54 23.413 15.814 22.483 1.00 35.36 C ATOM 1781 CE2 PHE B 54 25.292 15.450 23.939 1.00 33.83 C ATOM 1782 CZ PHE B 54 24.168 16.187 23.593 1.00 35.42 C ATOM 0 H PHE B 54 26.384 11.254 23.008 1.00 28.29 H new ATOM 0 HA PHE B 54 23.881 11.461 22.055 1.00 27.78 H new ATOM 0 HB2 PHE B 54 26.273 12.747 21.201 1.00 27.89 H new ATOM 0 HB3 PHE B 54 24.962 12.874 20.368 1.00 27.89 H new ATOM 0 HD1 PHE B 54 23.267 14.438 21.007 1.00 33.94 H new ATOM 0 HD2 PHE B 54 26.396 13.832 23.433 1.00 33.49 H new ATOM 0 HE1 PHE B 54 22.666 16.311 22.239 1.00 35.36 H new ATOM 0 HE2 PHE B 54 25.806 15.702 24.672 1.00 33.83 H new ATOM 0 HZ PHE B 54 23.920 16.926 24.100 1.00 35.42 H new ATOM 1783 N TYR B 55 24.002 9.950 20.093 1.00 24.57 N ATOM 1784 CA TYR B 55 24.113 9.024 18.982 1.00 26.08 C ATOM 1785 C TYR B 55 23.389 9.662 17.827 1.00 25.61 C ATOM 1786 O TYR B 55 22.187 9.906 17.898 1.00 25.05 O ATOM 1787 CB TYR B 55 23.471 7.678 19.286 1.00 25.24 C ATOM 1788 CG TYR B 55 24.257 6.915 20.301 1.00 26.61 C ATOM 1789 CD1 TYR B 55 23.967 7.033 21.652 1.00 28.65 C ATOM 1790 CD2 TYR B 55 25.357 6.155 19.919 1.00 29.80 C ATOM 1791 CE1 TYR B 55 24.758 6.413 22.609 1.00 31.42 C ATOM 1792 CE2 TYR B 55 26.162 5.529 20.864 1.00 29.50 C ATOM 1793 CZ TYR B 55 25.856 5.665 22.207 1.00 31.24 C ATOM 1794 OH TYR B 55 26.652 5.059 23.153 1.00 34.92 O ATOM 0 H TYR B 55 23.196 10.178 20.286 1.00 24.57 H new ATOM 0 HA TYR B 55 25.049 8.854 18.793 1.00 26.08 H new ATOM 0 HB2 TYR B 55 22.567 7.815 19.611 1.00 25.24 H new ATOM 0 HB3 TYR B 55 23.403 7.158 18.470 1.00 25.24 H new ATOM 0 HD1 TYR B 55 23.232 7.535 21.921 1.00 28.65 H new ATOM 0 HD2 TYR B 55 25.558 6.064 19.016 1.00 29.80 H new ATOM 0 HE1 TYR B 55 24.554 6.498 23.512 1.00 31.42 H new ATOM 0 HE2 TYR B 55 26.897 5.025 20.597 1.00 29.50 H new ATOM 0 HH TYR B 55 27.274 4.643 22.771 1.00 34.92 H new ATOM 1795 N PHE B 56 24.120 9.934 16.755 1.00 25.45 N ATOM 1796 CA PHE B 56 23.497 10.553 15.608 1.00 25.13 C ATOM 1797 C PHE B 56 24.151 10.089 14.324 1.00 25.96 C ATOM 1798 O PHE B 56 25.113 9.321 14.346 1.00 25.41 O ATOM 1799 CB PHE B 56 23.560 12.085 15.707 1.00 25.35 C ATOM 1800 CG PHE B 56 24.948 12.636 15.940 1.00 29.35 C ATOM 1801 CD1 PHE B 56 25.439 12.791 17.234 1.00 30.69 C ATOM 1802 CD2 PHE B 56 25.748 13.027 14.868 1.00 28.02 C ATOM 1803 CE1 PHE B 56 26.714 13.331 17.457 1.00 33.71 C ATOM 1804 CE2 PHE B 56 27.023 13.569 15.078 1.00 29.22 C ATOM 1805 CZ PHE B 56 27.506 13.724 16.371 1.00 31.75 C ATOM 0 H PHE B 56 24.961 9.771 16.676 1.00 25.45 H new ATOM 0 HA PHE B 56 22.565 10.283 15.597 1.00 25.13 H new ATOM 0 HB2 PHE B 56 23.205 12.466 14.889 1.00 25.35 H new ATOM 0 HB3 PHE B 56 22.982 12.376 16.430 1.00 25.35 H new ATOM 0 HD1 PHE B 56 24.916 12.534 17.958 1.00 30.69 H new ATOM 0 HD2 PHE B 56 25.431 12.927 14.000 1.00 28.02 H new ATOM 0 HE1 PHE B 56 27.033 13.428 18.325 1.00 33.71 H new ATOM 0 HE2 PHE B 56 27.545 13.825 14.352 1.00 29.22 H new ATOM 0 HZ PHE B 56 28.350 14.087 16.515 1.00 31.75 H new ATOM 1806 N SER B 57 23.597 10.549 13.212 1.00 27.94 N ATOM 1807 CA SER B 57 24.106 10.208 11.897 1.00 27.48 C ATOM 1808 C SER B 57 24.315 11.498 11.132 1.00 28.17 C ATOM 1809 O SER B 57 23.530 12.447 11.245 1.00 28.32 O ATOM 1810 CB SER B 57 23.113 9.320 11.146 1.00 27.13 C ATOM 1811 OG SER B 57 22.937 8.076 11.803 1.00 31.20 O ATOM 0 H SER B 57 22.913 11.070 13.200 1.00 27.94 H new ATOM 0 HA SER B 57 24.939 9.719 11.984 1.00 27.48 H new ATOM 0 HB2 SER B 57 22.259 9.774 11.075 1.00 27.13 H new ATOM 0 HB3 SER B 57 23.430 9.169 10.242 1.00 27.13 H new ATOM 0 HG SER B 57 23.593 7.577 11.639 1.00 31.20 H new ATOM 1812 N VAL B 58 25.384 11.533 10.352 1.00 28.53 N ATOM 1813 CA VAL B 58 25.697 12.707 9.569 1.00 30.83 C ATOM 1814 C VAL B 58 26.372 12.213 8.299 1.00 33.55 C ATOM 1815 O VAL B 58 27.131 11.248 8.310 1.00 32.37 O ATOM 1816 CB VAL B 58 26.623 13.667 10.366 1.00 33.03 C ATOM 1817 CG1 VAL B 58 27.909 12.957 10.742 1.00 35.11 C ATOM 1818 CG2 VAL B 58 26.894 14.930 9.562 1.00 35.32 C ATOM 0 H VAL B 58 25.941 10.883 10.264 1.00 28.53 H new ATOM 0 HA VAL B 58 24.897 13.212 9.356 1.00 30.83 H new ATOM 0 HB VAL B 58 26.178 13.932 11.186 1.00 33.03 H new ATOM 0 HG11 VAL B 58 28.480 13.563 11.239 1.00 35.11 H new ATOM 0 HG12 VAL B 58 27.704 12.184 11.291 1.00 35.11 H new ATOM 0 HG13 VAL B 58 28.367 12.669 9.937 1.00 35.11 H new ATOM 0 HG21 VAL B 58 27.472 15.520 10.071 1.00 35.32 H new ATOM 0 HG22 VAL B 58 27.327 14.695 8.726 1.00 35.32 H new ATOM 0 HG23 VAL B 58 26.056 15.381 9.376 1.00 35.32 H new ATOM 1819 N LYS B 59 26.071 12.879 7.199 1.00 36.76 N ATOM 1820 CA LYS B 59 26.613 12.496 5.909 1.00 41.93 C ATOM 1821 C LYS B 59 27.887 13.274 5.614 1.00 44.59 C ATOM 1822 O LYS B 59 27.907 14.502 5.685 1.00 44.61 O ATOM 1823 CB LYS B 59 25.524 12.733 4.869 1.00 45.17 C ATOM 1824 CG LYS B 59 25.900 12.618 3.461 1.00 50.65 C ATOM 1825 CD LYS B 59 24.640 12.886 2.636 1.00 53.15 C ATOM 1826 CE LYS B 59 24.920 12.812 1.189 1.00 56.27 C ATOM 1827 NZ LYS B 59 26.098 13.670 0.881 1.00 58.40 N ATOM 0 H LYS B 59 25.550 13.563 7.178 1.00 36.76 H new ATOM 0 HA LYS B 59 26.865 11.559 5.896 1.00 41.93 H new ATOM 0 HB2 LYS B 59 24.805 12.104 5.039 1.00 45.17 H new ATOM 0 HB3 LYS B 59 25.163 13.622 5.011 1.00 45.17 H new ATOM 0 HG2 LYS B 59 26.597 13.255 3.239 1.00 50.65 H new ATOM 0 HG3 LYS B 59 26.252 11.734 3.271 1.00 50.65 H new ATOM 0 HD2 LYS B 59 23.955 12.239 2.868 1.00 53.15 H new ATOM 0 HD3 LYS B 59 24.288 13.763 2.855 1.00 53.15 H new ATOM 0 HE2 LYS B 59 25.096 11.895 0.928 1.00 56.27 H new ATOM 0 HE3 LYS B 59 24.148 13.108 0.682 1.00 56.27 H new ATOM 0 HZ1 LYS B 59 26.212 13.712 -0.001 1.00 58.40 H new ATOM 0 HZ2 LYS B 59 25.961 14.489 1.202 1.00 58.40 H new ATOM 0 HZ3 LYS B 59 26.825 13.322 1.258 1.00 58.40 H new ATOM 1828 N ARG B 60 28.949 12.535 5.299 1.00 48.14 N ATOM 1829 CA ARG B 60 30.264 13.102 5.017 1.00 51.55 C ATOM 1830 C ARG B 60 30.840 12.417 3.774 1.00 52.56 C ATOM 1831 O ARG B 60 30.877 11.189 3.692 1.00 52.23 O ATOM 1832 CB ARG B 60 31.163 12.878 6.242 1.00 54.72 C ATOM 1833 CG ARG B 60 32.577 13.473 6.176 1.00 58.38 C ATOM 1834 CD ARG B 60 33.561 12.512 5.526 1.00 62.13 C ATOM 1835 NE ARG B 60 33.544 11.184 6.138 0.50 63.73 N ATOM 1836 CZ ARG B 60 33.827 10.935 7.413 0.50 64.30 C ATOM 1837 NH1 ARG B 60 34.154 11.925 8.234 1.00 64.68 N ATOM 1838 NH2 ARG B 60 33.786 9.690 7.868 0.50 64.76 N ATOM 0 H ARG B 60 28.924 11.677 5.243 1.00 48.14 H new ATOM 0 HA ARG B 60 30.205 14.054 4.843 1.00 51.55 H new ATOM 0 HB2 ARG B 60 30.715 13.248 7.019 1.00 54.72 H new ATOM 0 HB3 ARG B 60 31.243 11.922 6.389 1.00 54.72 H new ATOM 0 HG2 ARG B 60 32.556 14.303 5.675 1.00 58.38 H new ATOM 0 HG3 ARG B 60 32.879 13.690 7.072 1.00 58.38 H new ATOM 0 HD2 ARG B 60 33.352 12.431 4.582 1.00 62.13 H new ATOM 0 HD3 ARG B 60 34.456 12.881 5.588 1.00 62.13 H new ATOM 0 HE ARG B 60 33.336 10.516 5.637 0.50 63.73 H new ATOM 0 HH11 ARG B 60 34.184 12.733 7.942 1.00 64.68 H new ATOM 0 HH12 ARG B 60 34.336 11.758 9.058 1.00 64.68 H new ATOM 0 HH21 ARG B 60 33.577 9.045 7.339 0.50 64.76 H new ATOM 0 HH22 ARG B 60 33.969 9.527 8.692 0.50 64.76 H new ATOM 1839 N ASP B 61 31.282 13.215 2.807 1.00 53.36 N ATOM 1840 CA ASP B 61 31.832 12.678 1.563 1.00 53.93 C ATOM 1841 C ASP B 61 30.786 11.835 0.849 1.00 53.54 C ATOM 1842 O ASP B 61 31.104 10.802 0.259 1.00 54.25 O ATOM 1843 CB ASP B 61 33.071 11.813 1.824 1.00 55.66 C ATOM 1844 CG ASP B 61 34.230 12.604 2.394 0.50 56.65 C ATOM 1845 OD1 ASP B 61 34.396 13.781 2.014 0.50 57.29 O ATOM 1846 OD2 ASP B 61 34.987 12.038 3.211 0.50 57.93 O ATOM 0 H ASP B 61 31.273 14.074 2.851 1.00 53.36 H new ATOM 0 HA ASP B 61 32.089 13.432 1.009 1.00 53.93 H new ATOM 0 HB2 ASP B 61 32.838 11.100 2.439 1.00 55.66 H new ATOM 0 HB3 ASP B 61 33.348 11.394 0.994 1.00 55.66 H new ATOM 1847 N GLY B 62 29.533 12.271 0.920 1.00 52.43 N ATOM 1848 CA GLY B 62 28.464 11.549 0.258 1.00 51.90 C ATOM 1849 C GLY B 62 27.959 10.289 0.939 1.00 51.30 C ATOM 1850 O GLY B 62 27.077 9.616 0.406 1.00 52.53 O ATOM 0 H GLY B 62 29.286 12.977 1.344 1.00 52.43 H new ATOM 0 HA2 GLY B 62 27.714 12.154 0.149 1.00 51.90 H new ATOM 0 HA3 GLY B 62 28.767 11.310 -0.632 1.00 51.90 H new ATOM 1851 N LYS B 63 28.498 9.953 2.107 1.00 49.12 N ATOM 1852 CA LYS B 63 28.039 8.749 2.800 1.00 47.39 C ATOM 1853 C LYS B 63 27.648 9.027 4.243 1.00 43.91 C ATOM 1854 O LYS B 63 28.259 9.851 4.920 1.00 41.95 O ATOM 1855 CB LYS B 63 29.120 7.672 2.794 1.00 49.64 C ATOM 1856 CG LYS B 63 30.114 7.823 1.718 1.00 55.23 C ATOM 1857 CD LYS B 63 31.378 7.086 2.073 1.00 58.74 C ATOM 1858 CE LYS B 63 32.394 7.254 0.990 1.00 61.00 C ATOM 1859 NZ LYS B 63 33.773 6.917 1.420 1.00 63.93 N ATOM 0 H LYS B 63 29.116 10.395 2.509 1.00 49.12 H new ATOM 0 HA LYS B 63 27.256 8.442 2.317 1.00 47.39 H new ATOM 0 HB2 LYS B 63 29.579 7.683 3.649 1.00 49.64 H new ATOM 0 HB3 LYS B 63 28.697 6.803 2.710 1.00 49.64 H new ATOM 0 HG2 LYS B 63 29.754 7.480 0.885 1.00 55.23 H new ATOM 0 HG3 LYS B 63 30.308 8.763 1.577 1.00 55.23 H new ATOM 0 HD2 LYS B 63 31.731 7.421 2.912 1.00 58.74 H new ATOM 0 HD3 LYS B 63 31.186 6.144 2.202 1.00 58.74 H new ATOM 0 HE2 LYS B 63 32.151 6.693 0.237 1.00 61.00 H new ATOM 0 HE3 LYS B 63 32.375 8.172 0.677 1.00 61.00 H new ATOM 0 HZ1 LYS B 63 34.334 7.035 0.739 1.00 63.93 H new ATOM 0 HZ2 LYS B 63 34.011 7.446 2.095 1.00 63.93 H new ATOM 0 HZ3 LYS B 63 33.802 6.068 1.685 1.00 63.93 H new ATOM 1860 N TRP B 64 26.636 8.304 4.704 1.00 41.84 N ATOM 1861 CA TRP B 64 26.144 8.437 6.066 1.00 40.75 C ATOM 1862 C TRP B 64 27.054 7.740 7.061 1.00 38.35 C ATOM 1863 O TRP B 64 27.481 6.607 6.843 1.00 40.38 O ATOM 1864 CB TRP B 64 24.735 7.860 6.164 1.00 41.28 C ATOM 1865 CG TRP B 64 23.723 8.722 5.502 1.00 42.17 C ATOM 1866 CD1 TRP B 64 23.153 8.538 4.273 1.00 43.43 C ATOM 1867 CD2 TRP B 64 23.180 9.933 6.022 1.00 42.10 C ATOM 1868 NE1 TRP B 64 22.280 9.564 4.001 1.00 43.93 N ATOM 1869 CE2 TRP B 64 22.275 10.434 5.063 1.00 43.35 C ATOM 1870 CE3 TRP B 64 23.362 10.643 7.218 1.00 42.38 C ATOM 1871 CZ2 TRP B 64 21.562 11.620 5.253 1.00 42.25 C ATOM 1872 CZ3 TRP B 64 22.654 11.820 7.410 1.00 41.68 C ATOM 1873 CH2 TRP B 64 21.759 12.294 6.433 1.00 43.45 C ATOM 0 H TRP B 64 26.214 7.721 4.234 1.00 41.84 H new ATOM 0 HA TRP B 64 26.129 9.381 6.286 1.00 40.75 H new ATOM 0 HB2 TRP B 64 24.720 6.979 5.759 1.00 41.28 H new ATOM 0 HB3 TRP B 64 24.499 7.747 7.098 1.00 41.28 H new ATOM 0 HD1 TRP B 64 23.330 7.824 3.705 1.00 43.43 H new ATOM 0 HE1 TRP B 64 21.813 9.647 3.283 1.00 43.93 H new ATOM 0 HE3 TRP B 64 23.947 10.330 7.870 1.00 42.38 H new ATOM 0 HZ2 TRP B 64 20.977 11.941 4.605 1.00 42.25 H new ATOM 0 HZ3 TRP B 64 22.772 12.303 8.196 1.00 41.68 H new ATOM 0 HH2 TRP B 64 21.290 13.082 6.590 1.00 43.45 H new ATOM 1874 N LYS B 65 27.349 8.430 8.156 1.00 35.71 N ATOM 1875 CA LYS B 65 28.212 7.885 9.188 1.00 32.86 C ATOM 1876 C LYS B 65 27.477 7.898 10.519 1.00 31.96 C ATOM 1877 O LYS B 65 26.701 8.814 10.793 1.00 31.03 O ATOM 1878 CB LYS B 65 29.477 8.737 9.314 1.00 36.98 C ATOM 1879 CG LYS B 65 30.269 8.883 8.019 1.00 40.68 C ATOM 1880 CD LYS B 65 30.891 7.563 7.607 1.00 46.13 C ATOM 1881 CE LYS B 65 31.690 7.704 6.302 1.00 48.97 C ATOM 1882 NZ LYS B 65 32.437 6.454 5.999 1.00 50.08 N ATOM 0 H LYS B 65 27.056 9.222 8.319 1.00 35.71 H new ATOM 0 HA LYS B 65 28.455 6.977 8.950 1.00 32.86 H new ATOM 0 HB2 LYS B 65 29.229 9.620 9.630 1.00 36.98 H new ATOM 0 HB3 LYS B 65 30.052 8.345 9.990 1.00 36.98 H new ATOM 0 HG2 LYS B 65 29.685 9.203 7.314 1.00 40.68 H new ATOM 0 HG3 LYS B 65 30.964 9.549 8.135 1.00 40.68 H new ATOM 0 HD2 LYS B 65 31.475 7.244 8.313 1.00 46.13 H new ATOM 0 HD3 LYS B 65 30.195 6.897 7.492 1.00 46.13 H new ATOM 0 HE2 LYS B 65 31.088 7.911 5.570 1.00 48.97 H new ATOM 0 HE3 LYS B 65 32.310 8.446 6.377 1.00 48.97 H new ATOM 0 HZ1 LYS B 65 32.892 6.556 5.241 1.00 50.08 H new ATOM 0 HZ2 LYS B 65 33.003 6.278 6.663 1.00 50.08 H new ATOM 0 HZ3 LYS B 65 31.864 5.779 5.911 1.00 50.08 H new ATOM 1883 N ASN B 66 27.708 6.873 11.331 1.00 29.31 N ATOM 1884 CA ASN B 66 27.101 6.826 12.654 1.00 29.53 C ATOM 1885 C ASN B 66 28.168 7.346 13.608 1.00 28.91 C ATOM 1886 O ASN B 66 29.294 6.847 13.624 1.00 30.68 O ATOM 1887 CB ASN B 66 26.697 5.403 13.033 1.00 29.77 C ATOM 1888 CG ASN B 66 25.519 4.898 12.223 1.00 34.32 C ATOM 1889 OD1 ASN B 66 24.659 5.676 11.813 1.00 35.54 O ATOM 1890 ND2 ASN B 66 25.467 3.589 12.002 1.00 35.71 N ATOM 0 H ASN B 66 28.208 6.201 11.137 1.00 29.31 H new ATOM 0 HA ASN B 66 26.290 7.357 12.686 1.00 29.53 H new ATOM 0 HB2 ASN B 66 27.453 4.810 12.903 1.00 29.77 H new ATOM 0 HB3 ASN B 66 26.473 5.374 13.976 1.00 29.77 H new ATOM 0 HD21 ASN B 66 24.813 3.254 11.556 1.00 35.71 H new ATOM 0 HD22 ASN B 66 26.088 3.077 12.305 1.00 35.71 H new ATOM 1891 N VAL B 67 27.806 8.343 14.406 1.00 28.09 N ATOM 1892 CA VAL B 67 28.743 8.961 15.331 1.00 28.05 C ATOM 1893 C VAL B 67 28.246 8.968 16.769 1.00 28.47 C ATOM 1894 O VAL B 67 27.053 9.132 17.020 1.00 26.64 O ATOM 1895 CB VAL B 67 29.022 10.428 14.903 1.00 30.49 C ATOM 1896 CG1 VAL B 67 29.972 11.112 15.894 1.00 33.60 C ATOM 1897 CG2 VAL B 67 29.596 10.451 13.496 1.00 32.50 C ATOM 0 H VAL B 67 27.014 8.678 14.426 1.00 28.09 H new ATOM 0 HA VAL B 67 29.551 8.426 15.297 1.00 28.05 H new ATOM 0 HB VAL B 67 28.187 10.922 14.907 1.00 30.49 H new ATOM 0 HG11 VAL B 67 30.134 12.025 15.610 1.00 33.60 H new ATOM 0 HG12 VAL B 67 29.571 11.115 16.777 1.00 33.60 H new ATOM 0 HG13 VAL B 67 30.813 10.629 15.922 1.00 33.60 H new ATOM 0 HG21 VAL B 67 29.769 11.368 13.232 1.00 32.50 H new ATOM 0 HG22 VAL B 67 30.425 9.947 13.476 1.00 32.50 H new ATOM 0 HG23 VAL B 67 28.961 10.052 12.881 1.00 32.50 H new ATOM 1898 N HIS B 68 29.178 8.771 17.697 1.00 27.28 N ATOM 1899 CA HIS B 68 28.887 8.796 19.127 1.00 28.63 C ATOM 1900 C HIS B 68 29.762 9.854 19.780 1.00 28.97 C ATOM 1901 O HIS B 68 30.973 9.905 19.538 1.00 27.67 O ATOM 1902 CB HIS B 68 29.171 7.431 19.763 1.00 28.22 C ATOM 1903 CG HIS B 68 29.406 7.491 21.241 1.00 30.97 C ATOM 1904 ND1 HIS B 68 30.511 7.221 21.976 1.00 34.43 N flip ATOM 1905 CD2 HIS B 68 28.440 7.897 22.135 1.00 26.23 C flip ATOM 1906 CE1 HIS B 68 30.194 7.469 23.289 1.00 28.58 C flip ATOM 1907 NE2 HIS B 68 28.940 7.876 23.360 1.00 33.06 N flip ATOM 0 H HIS B 68 30.004 8.618 17.513 1.00 27.28 H new ATOM 0 HA HIS B 68 27.949 9.003 19.259 1.00 28.63 H new ATOM 0 HB2 HIS B 68 28.423 6.839 19.587 1.00 28.22 H new ATOM 0 HB3 HIS B 68 29.949 7.040 19.336 1.00 28.22 H new ATOM 0 HD2 HIS B 68 27.572 8.147 21.913 1.00 26.23 H new ATOM 0 HE1 HIS B 68 30.770 7.367 24.012 1.00 28.58 H new ATOM 0 HE2 HIS B 68 28.520 8.091 24.079 1.00 33.06 H new ATOM 1908 N VAL B 69 29.142 10.708 20.592 1.00 26.91 N ATOM 1909 CA VAL B 69 29.856 11.758 21.309 1.00 28.89 C ATOM 1910 C VAL B 69 29.415 11.777 22.765 1.00 29.24 C ATOM 1911 O VAL B 69 28.222 11.756 23.059 1.00 29.16 O ATOM 1912 CB VAL B 69 29.583 13.152 20.708 1.00 29.36 C ATOM 1913 CG1 VAL B 69 30.204 14.229 21.584 1.00 31.66 C ATOM 1914 CG2 VAL B 69 30.155 13.231 19.304 1.00 29.76 C ATOM 0 H VAL B 69 28.295 10.694 20.742 1.00 26.91 H new ATOM 0 HA VAL B 69 30.803 11.564 21.234 1.00 28.89 H new ATOM 0 HB VAL B 69 28.624 13.295 20.667 1.00 29.36 H new ATOM 0 HG11 VAL B 69 30.027 15.101 21.199 1.00 31.66 H new ATOM 0 HG12 VAL B 69 29.819 14.185 22.473 1.00 31.66 H new ATOM 0 HG13 VAL B 69 31.162 14.089 21.640 1.00 31.66 H new ATOM 0 HG21 VAL B 69 29.980 14.110 18.932 1.00 29.76 H new ATOM 0 HG22 VAL B 69 31.112 13.078 19.335 1.00 29.76 H new ATOM 0 HG23 VAL B 69 29.739 12.555 18.746 1.00 29.76 H new ATOM 1915 N LYS B 70 30.390 11.822 23.669 1.00 30.26 N ATOM 1916 CA LYS B 70 30.113 11.853 25.098 1.00 31.56 C ATOM 1917 C LYS B 70 30.364 13.266 25.601 1.00 31.14 C ATOM 1918 O LYS B 70 31.459 13.800 25.434 1.00 33.59 O ATOM 1919 CB LYS B 70 31.053 10.904 25.839 1.00 33.51 C ATOM 1920 CG LYS B 70 30.458 10.254 27.006 1.00 38.95 C ATOM 1921 CD LYS B 70 31.495 9.423 27.712 1.00 41.37 C ATOM 1922 CE LYS B 70 30.904 8.742 28.833 1.00 43.75 C ATOM 1923 NZ LYS B 70 29.978 7.710 28.279 1.00 41.50 N ATOM 0 H LYS B 70 31.227 11.835 23.470 1.00 30.26 H new ATOM 0 HA LYS B 70 29.195 11.582 25.255 1.00 31.56 H new ATOM 0 HB2 LYS B 70 31.357 10.220 25.222 1.00 33.51 H new ATOM 0 HB3 LYS B 70 31.837 11.399 26.123 1.00 33.51 H new ATOM 0 HG2 LYS B 70 30.100 10.922 27.611 1.00 38.95 H new ATOM 0 HG3 LYS B 70 29.715 9.694 26.731 1.00 38.95 H new ATOM 0 HD2 LYS B 70 31.876 8.777 27.097 1.00 41.37 H new ATOM 0 HD3 LYS B 70 32.222 9.989 28.015 1.00 41.37 H new ATOM 0 HE2 LYS B 70 31.588 8.329 29.383 1.00 43.75 H new ATOM 0 HE3 LYS B 70 30.423 9.366 29.399 1.00 43.75 H new ATOM 0 HZ1 LYS B 70 29.977 6.996 28.810 1.00 41.50 H new ATOM 0 HZ2 LYS B 70 29.155 8.044 28.231 1.00 41.50 H new ATOM 0 HZ3 LYS B 70 30.249 7.474 27.465 1.00 41.50 H new ATOM 1924 N ALA B 71 29.355 13.874 26.210 1.00 30.46 N ATOM 1925 CA ALA B 71 29.512 15.216 26.742 1.00 30.32 C ATOM 1926 C ALA B 71 29.573 15.121 28.260 1.00 31.11 C ATOM 1927 O ALA B 71 28.913 14.270 28.855 1.00 32.41 O ATOM 1928 CB ALA B 71 28.355 16.059 26.329 1.00 28.23 C ATOM 0 H ALA B 71 28.576 13.528 26.324 1.00 30.46 H new ATOM 0 HA ALA B 71 30.325 15.621 26.402 1.00 30.32 H new ATOM 0 HB1 ALA B 71 28.463 16.954 26.686 1.00 28.23 H new ATOM 0 HB2 ALA B 71 28.314 16.100 25.361 1.00 28.23 H new ATOM 0 HB3 ALA B 71 27.534 15.672 26.671 1.00 28.23 H new ATOM 1929 N THR B 72 30.360 15.996 28.879 1.00 32.92 N ATOM 1930 CA THR B 72 30.495 15.989 30.333 1.00 34.22 C ATOM 1931 C THR B 72 29.981 17.296 30.926 1.00 34.11 C ATOM 1932 O THR B 72 30.323 18.383 30.472 1.00 33.33 O ATOM 1933 CB THR B 72 31.966 15.763 30.744 1.00 35.35 C ATOM 1934 OG1 THR B 72 32.421 14.518 30.201 1.00 37.52 O ATOM 1935 CG2 THR B 72 32.099 15.716 32.258 1.00 37.08 C ATOM 0 H THR B 72 30.823 16.600 28.478 1.00 32.92 H new ATOM 0 HA THR B 72 29.961 15.258 30.681 1.00 34.22 H new ATOM 0 HB THR B 72 32.500 16.497 30.403 1.00 35.35 H new ATOM 0 HG1 THR B 72 33.222 14.392 30.421 1.00 37.52 H new ATOM 0 HG21 THR B 72 33.028 15.574 32.497 1.00 37.08 H new ATOM 0 HG22 THR B 72 31.793 16.555 32.636 1.00 37.08 H new ATOM 0 HG23 THR B 72 31.560 14.989 32.608 1.00 37.08 H new ATOM 1936 N LYS B 73 29.148 17.180 31.949 1.00 35.57 N ATOM 1937 CA LYS B 73 28.561 18.351 32.585 1.00 38.90 C ATOM 1938 C LYS B 73 29.536 19.119 33.476 1.00 39.72 C ATOM 1939 O LYS B 73 30.387 18.527 34.140 1.00 38.94 O ATOM 1940 CB LYS B 73 27.317 17.905 33.361 1.00 40.35 C ATOM 1941 CG LYS B 73 26.885 18.777 34.467 1.00 45.84 C ATOM 1942 CD LYS B 73 25.574 18.239 35.041 1.00 48.52 C ATOM 1943 CE LYS B 73 25.114 19.068 36.182 1.00 51.74 C ATOM 1944 NZ LYS B 73 26.068 18.885 37.312 0.10 50.65 N ATOM 0 H LYS B 73 28.908 16.429 32.292 1.00 35.57 H new ATOM 0 HA LYS B 73 28.317 18.982 31.890 1.00 38.90 H new ATOM 0 HB2 LYS B 73 26.581 17.823 32.734 1.00 40.35 H new ATOM 0 HB3 LYS B 73 27.484 17.020 33.720 1.00 40.35 H new ATOM 0 HG2 LYS B 73 27.566 18.806 35.157 1.00 45.84 H new ATOM 0 HG3 LYS B 73 26.764 19.686 34.150 1.00 45.84 H new ATOM 0 HD2 LYS B 73 24.894 18.229 34.349 1.00 48.52 H new ATOM 0 HD3 LYS B 73 25.696 17.322 35.332 1.00 48.52 H new ATOM 0 HE2 LYS B 73 25.071 20.002 35.925 1.00 51.74 H new ATOM 0 HE3 LYS B 73 24.219 18.806 36.450 1.00 51.74 H new ATOM 0 HZ1 LYS B 73 25.666 19.097 38.077 0.10 50.65 H new ATOM 0 HZ2 LYS B 73 26.333 18.036 37.342 0.10 50.65 H new ATOM 0 HZ3 LYS B 73 26.775 19.412 37.192 0.10 50.65 H new ATOM 1945 N GLN B 74 29.421 20.444 33.463 1.00 41.01 N ATOM 1946 CA GLN B 74 30.281 21.291 34.279 1.00 44.11 C ATOM 1947 C GLN B 74 29.503 21.789 35.487 1.00 45.68 C ATOM 1948 O GLN B 74 28.290 21.613 35.568 1.00 42.88 O ATOM 1949 CB GLN B 74 30.780 22.497 33.485 1.00 45.15 C ATOM 1950 CG GLN B 74 31.451 22.165 32.182 1.00 46.61 C ATOM 1951 CD GLN B 74 32.277 23.320 31.660 1.00 49.41 C ATOM 1952 OE1 GLN B 74 33.403 23.542 32.108 1.00 50.77 O ATOM 1953 NE2 GLN B 74 31.718 24.074 30.718 1.00 50.08 N ATOM 0 H GLN B 74 28.848 20.873 32.986 1.00 41.01 H new ATOM 0 HA GLN B 74 31.045 20.763 34.560 1.00 44.11 H new ATOM 0 HB2 GLN B 74 30.028 23.083 33.306 1.00 45.15 H new ATOM 0 HB3 GLN B 74 31.403 22.995 34.037 1.00 45.15 H new ATOM 0 HG2 GLN B 74 32.020 21.389 32.301 1.00 46.61 H new ATOM 0 HG3 GLN B 74 30.779 21.926 31.525 1.00 46.61 H new ATOM 0 HE21 GLN B 74 30.929 23.888 30.430 1.00 50.08 H new ATOM 0 HE22 GLN B 74 32.145 24.748 30.397 1.00 50.08 H new ATOM 1954 N ASP B 75 30.209 22.417 36.421 1.00 48.76 N ATOM 1955 CA ASP B 75 29.577 22.945 37.622 1.00 50.98 C ATOM 1956 C ASP B 75 28.481 23.953 37.293 1.00 51.46 C ATOM 1957 O ASP B 75 27.459 24.007 37.976 1.00 52.10 O ATOM 1958 CB ASP B 75 30.629 23.591 38.526 1.00 53.72 C ATOM 1959 CG ASP B 75 31.094 22.664 39.632 1.00 56.50 C ATOM 1960 OD1 ASP B 75 32.158 22.933 40.228 1.00 58.70 O ATOM 1961 OD2 ASP B 75 30.386 21.674 39.915 0.50 57.46 O ATOM 0 H ASP B 75 31.058 22.548 36.377 1.00 48.76 H new ATOM 0 HA ASP B 75 29.161 22.201 38.086 1.00 50.98 H new ATOM 0 HB2 ASP B 75 31.392 23.858 37.990 1.00 53.72 H new ATOM 0 HB3 ASP B 75 30.262 24.399 38.918 1.00 53.72 H new ATOM 1962 N ASP B 76 28.688 24.744 36.243 1.00 51.87 N ATOM 1963 CA ASP B 76 27.700 25.742 35.849 1.00 52.36 C ATOM 1964 C ASP B 76 26.497 25.138 35.128 1.00 51.90 C ATOM 1965 O ASP B 76 25.636 25.864 34.636 1.00 53.63 O ATOM 1966 CB ASP B 76 28.340 26.815 34.962 1.00 54.05 C ATOM 1967 CG ASP B 76 29.032 26.232 33.749 1.00 54.85 C ATOM 1968 OD1 ASP B 76 28.610 25.152 33.291 1.00 55.49 O ATOM 1969 OD2 ASP B 76 29.988 26.862 33.247 1.00 56.23 O ATOM 0 H ASP B 76 29.391 24.719 35.748 1.00 51.87 H new ATOM 0 HA ASP B 76 27.376 26.142 36.671 1.00 52.36 H new ATOM 0 HB2 ASP B 76 27.657 27.439 34.671 1.00 54.05 H new ATOM 0 HB3 ASP B 76 28.982 27.321 35.484 1.00 54.05 H new ATOM 1970 N GLY B 77 26.444 23.811 35.057 1.00 50.36 N ATOM 1971 CA GLY B 77 25.325 23.152 34.404 1.00 47.79 C ATOM 1972 C GLY B 77 25.445 22.946 32.902 1.00 45.88 C ATOM 1973 O GLY B 77 24.612 22.264 32.303 1.00 45.81 O ATOM 0 H GLY B 77 27.041 23.281 35.378 1.00 50.36 H new ATOM 0 HA2 GLY B 77 25.197 22.285 34.821 1.00 47.79 H new ATOM 0 HA3 GLY B 77 24.524 23.671 34.577 1.00 47.79 H new ATOM 1974 N THR B 78 26.462 23.535 32.279 1.00 42.95 N ATOM 1975 CA THR B 78 26.649 23.371 30.840 1.00 40.01 C ATOM 1976 C THR B 78 27.423 22.078 30.586 1.00 37.05 C ATOM 1977 O THR B 78 27.949 21.476 31.519 1.00 35.82 O ATOM 1978 CB THR B 78 27.433 24.555 30.236 1.00 41.35 C ATOM 1979 OG1 THR B 78 28.754 24.593 30.790 1.00 42.98 O ATOM 1980 CG2 THR B 78 26.722 25.872 30.538 1.00 44.63 C ATOM 0 H THR B 78 27.050 24.029 32.666 1.00 42.95 H new ATOM 0 HA THR B 78 25.776 23.338 30.419 1.00 40.01 H new ATOM 0 HB THR B 78 27.484 24.435 29.275 1.00 41.35 H new ATOM 0 HG1 THR B 78 28.710 24.777 31.608 1.00 42.98 H new ATOM 0 HG21 THR B 78 27.225 26.607 30.153 1.00 44.63 H new ATOM 0 HG22 THR B 78 25.831 25.854 30.155 1.00 44.63 H new ATOM 0 HG23 THR B 78 26.658 25.993 31.498 1.00 44.63 H new ATOM 1981 N TYR B 79 27.484 21.645 29.330 1.00 33.96 N ATOM 1982 CA TYR B 79 28.211 20.428 28.989 1.00 31.78 C ATOM 1983 C TYR B 79 29.311 20.715 27.979 1.00 32.50 C ATOM 1984 O TYR B 79 29.168 21.583 27.119 1.00 33.71 O ATOM 1985 CB TYR B 79 27.289 19.374 28.382 1.00 32.70 C ATOM 1986 CG TYR B 79 26.263 18.787 29.317 1.00 33.00 C ATOM 1987 CD1 TYR B 79 25.115 19.497 29.658 1.00 34.63 C ATOM 1988 CD2 TYR B 79 26.439 17.513 29.853 1.00 36.06 C ATOM 1989 CE1 TYR B 79 24.164 18.949 30.510 1.00 39.30 C ATOM 1990 CE2 TYR B 79 25.496 16.956 30.707 1.00 38.47 C ATOM 1991 CZ TYR B 79 24.362 17.680 31.028 1.00 38.12 C ATOM 1992 OH TYR B 79 23.423 17.126 31.859 1.00 41.39 O ATOM 0 H TYR B 79 27.112 22.040 28.663 1.00 33.96 H new ATOM 0 HA TYR B 79 28.590 20.095 29.817 1.00 31.78 H new ATOM 0 HB2 TYR B 79 26.826 19.769 27.627 1.00 32.70 H new ATOM 0 HB3 TYR B 79 27.835 18.652 28.033 1.00 32.70 H new ATOM 0 HD1 TYR B 79 24.983 20.350 29.311 1.00 34.63 H new ATOM 0 HD2 TYR B 79 27.201 17.027 29.635 1.00 36.06 H new ATOM 0 HE1 TYR B 79 23.400 19.431 30.731 1.00 39.30 H new ATOM 0 HE2 TYR B 79 25.626 16.105 31.059 1.00 38.47 H new ATOM 0 HH TYR B 79 23.674 16.359 32.093 1.00 41.39 H new ATOM 1993 N VAL B 80 30.406 19.973 28.078 1.00 30.50 N ATOM 1994 CA VAL B 80 31.507 20.155 27.149 1.00 31.31 C ATOM 1995 C VAL B 80 31.681 18.867 26.361 1.00 29.13 C ATOM 1996 O VAL B 80 31.507 17.770 26.892 1.00 29.92 O ATOM 1997 CB VAL B 80 32.826 20.492 27.880 1.00 31.39 C ATOM 1998 CG1 VAL B 80 32.708 21.854 28.572 1.00 33.01 C ATOM 1999 CG2 VAL B 80 33.162 19.400 28.876 1.00 33.96 C ATOM 0 H VAL B 80 30.530 19.363 28.672 1.00 30.50 H new ATOM 0 HA VAL B 80 31.300 20.899 26.563 1.00 31.31 H new ATOM 0 HB VAL B 80 33.547 20.543 27.233 1.00 31.39 H new ATOM 0 HG11 VAL B 80 33.539 22.058 29.028 1.00 33.01 H new ATOM 0 HG12 VAL B 80 32.526 22.539 27.910 1.00 33.01 H new ATOM 0 HG13 VAL B 80 31.984 21.828 29.217 1.00 33.01 H new ATOM 0 HG21 VAL B 80 33.991 19.620 29.330 1.00 33.96 H new ATOM 0 HG22 VAL B 80 32.447 19.325 29.527 1.00 33.96 H new ATOM 0 HG23 VAL B 80 33.263 18.556 28.409 1.00 33.96 H new ATOM 2000 N ALA B 81 32.015 19.003 25.083 1.00 28.00 N ATOM 2001 CA ALA B 81 32.187 17.835 24.244 1.00 28.75 C ATOM 2002 C ALA B 81 33.142 18.134 23.108 1.00 30.00 C ATOM 2003 O ALA B 81 33.213 19.260 22.614 1.00 30.16 O ATOM 2004 CB ALA B 81 30.829 17.383 23.680 1.00 31.05 C ATOM 0 H ALA B 81 32.145 19.756 24.689 1.00 28.00 H new ATOM 0 HA ALA B 81 32.560 17.121 24.785 1.00 28.75 H new ATOM 0 HB1 ALA B 81 30.955 16.601 23.120 1.00 31.05 H new ATOM 0 HB2 ALA B 81 30.231 17.163 24.412 1.00 31.05 H new ATOM 0 HB3 ALA B 81 30.443 18.099 23.152 1.00 31.05 H new ATOM 2005 N ASP B 82 33.883 17.110 22.709 1.00 30.28 N ATOM 2006 CA ASP B 82 34.833 17.222 21.618 1.00 32.99 C ATOM 2007 C ASP B 82 34.198 16.623 20.361 1.00 31.47 C ATOM 2008 O ASP B 82 33.859 15.442 20.332 1.00 33.63 O ATOM 2009 CB ASP B 82 36.112 16.462 21.968 1.00 38.59 C ATOM 2010 CG ASP B 82 37.147 16.538 20.874 1.00 43.90 C ATOM 2011 OD1 ASP B 82 37.696 17.636 20.652 0.70 47.09 O ATOM 2012 OD2 ASP B 82 37.404 15.498 20.232 0.70 48.12 O ATOM 0 H ASP B 82 33.848 16.328 23.066 1.00 30.28 H new ATOM 0 HA ASP B 82 35.057 18.153 21.464 1.00 32.99 H new ATOM 0 HB2 ASP B 82 36.485 16.823 22.788 1.00 38.59 H new ATOM 0 HB3 ASP B 82 35.895 15.532 22.140 1.00 38.59 H new ATOM 2013 N TYR B 83 34.023 17.452 19.339 1.00 30.61 N ATOM 2014 CA TYR B 83 33.439 17.031 18.070 1.00 30.70 C ATOM 2015 C TYR B 83 33.647 18.165 17.082 1.00 30.88 C ATOM 2016 O TYR B 83 33.110 19.260 17.262 1.00 27.63 O ATOM 2017 CB TYR B 83 31.939 16.746 18.213 1.00 30.43 C ATOM 2018 CG TYR B 83 31.268 16.445 16.889 1.00 28.63 C ATOM 2019 CD1 TYR B 83 31.511 15.248 16.215 1.00 31.31 C ATOM 2020 CD2 TYR B 83 30.430 17.381 16.287 1.00 30.61 C ATOM 2021 CE1 TYR B 83 30.935 14.989 14.969 1.00 31.19 C ATOM 2022 CE2 TYR B 83 29.854 17.137 15.042 1.00 30.24 C ATOM 2023 CZ TYR B 83 30.111 15.937 14.389 1.00 29.87 C ATOM 2024 OH TYR B 83 29.548 15.698 13.157 1.00 30.78 O ATOM 0 H TYR B 83 34.242 18.283 19.362 1.00 30.61 H new ATOM 0 HA TYR B 83 33.864 16.212 17.769 1.00 30.70 H new ATOM 0 HB2 TYR B 83 31.813 15.994 18.813 1.00 30.43 H new ATOM 0 HB3 TYR B 83 31.507 17.511 18.623 1.00 30.43 H new ATOM 0 HD1 TYR B 83 32.067 14.611 16.602 1.00 31.31 H new ATOM 0 HD2 TYR B 83 30.252 18.183 16.724 1.00 30.61 H new ATOM 0 HE1 TYR B 83 31.104 14.185 14.533 1.00 31.19 H new ATOM 0 HE2 TYR B 83 29.301 17.773 14.650 1.00 30.24 H new ATOM 0 HH TYR B 83 29.109 16.371 12.914 1.00 30.78 H new ATOM 2025 N GLU B 84 34.433 17.900 16.041 1.00 30.73 N ATOM 2026 CA GLU B 84 34.731 18.914 15.039 1.00 31.72 C ATOM 2027 C GLU B 84 35.184 20.195 15.730 1.00 29.84 C ATOM 2028 O GLU B 84 34.790 21.299 15.351 1.00 31.01 O ATOM 2029 CB GLU B 84 33.500 19.190 14.178 1.00 34.21 C ATOM 2030 CG GLU B 84 33.049 17.998 13.339 1.00 38.54 C ATOM 2031 CD GLU B 84 34.130 17.513 12.391 1.00 42.28 C ATOM 2032 OE1 GLU B 84 34.713 18.352 11.677 1.00 43.19 O ATOM 2033 OE2 GLU B 84 34.389 16.292 12.354 1.00 46.97 O ATOM 0 H GLU B 84 34.803 17.137 15.898 1.00 30.73 H new ATOM 0 HA GLU B 84 35.442 18.590 14.464 1.00 31.72 H new ATOM 0 HB2 GLU B 84 32.769 19.464 14.754 1.00 34.21 H new ATOM 0 HB3 GLU B 84 33.690 19.936 13.588 1.00 34.21 H new ATOM 0 HG2 GLU B 84 32.789 17.272 13.927 1.00 38.54 H new ATOM 0 HG3 GLU B 84 32.262 18.245 12.828 1.00 38.54 H new ATOM 2034 N GLY B 85 36.027 20.031 16.746 1.00 31.29 N ATOM 2035 CA GLY B 85 36.515 21.166 17.505 1.00 30.26 C ATOM 2036 C GLY B 85 35.972 21.075 18.920 1.00 29.39 C ATOM 2037 O GLY B 85 35.504 20.015 19.337 1.00 31.12 O ATOM 0 H GLY B 85 36.326 19.268 17.008 1.00 31.29 H new ATOM 0 HA2 GLY B 85 37.485 21.171 17.517 1.00 30.26 H new ATOM 0 HA3 GLY B 85 36.232 21.995 17.089 1.00 30.26 H new ATOM 2038 N GLN B 86 36.015 22.177 19.660 1.00 28.77 N ATOM 2039 CA GLN B 86 35.508 22.174 21.032 1.00 29.48 C ATOM 2040 C GLN B 86 34.076 22.709 21.080 1.00 27.42 C ATOM 2041 O GLN B 86 33.724 23.638 20.350 1.00 28.08 O ATOM 2042 CB GLN B 86 36.423 23.010 21.940 1.00 32.37 C ATOM 2043 CG GLN B 86 37.855 22.436 22.063 1.00 39.36 C ATOM 2044 CD GLN B 86 38.682 23.130 23.133 1.00 42.26 C ATOM 2045 OE1 GLN B 86 39.014 24.308 23.014 0.10 41.83 O ATOM 2046 NE2 GLN B 86 39.013 22.397 24.192 0.50 42.62 N ATOM 0 H GLN B 86 36.330 22.931 19.392 1.00 28.77 H new ATOM 0 HA GLN B 86 35.502 21.259 21.354 1.00 29.48 H new ATOM 0 HB2 GLN B 86 36.473 23.915 21.593 1.00 32.37 H new ATOM 0 HB3 GLN B 86 36.027 23.066 22.824 1.00 32.37 H new ATOM 0 HG2 GLN B 86 37.802 21.489 22.265 1.00 39.36 H new ATOM 0 HG3 GLN B 86 38.306 22.519 21.208 1.00 39.36 H new ATOM 0 HE21 GLN B 86 38.763 21.576 24.241 0.50 42.62 H new ATOM 0 HE22 GLN B 86 39.477 22.744 24.827 0.50 42.62 H new ATOM 2047 N ASN B 87 33.254 22.122 21.944 1.00 27.88 N ATOM 2048 CA ASN B 87 31.855 22.538 22.072 1.00 27.79 C ATOM 2049 C ASN B 87 31.417 22.730 23.513 1.00 28.99 C ATOM 2050 O ASN B 87 31.850 22.001 24.404 1.00 30.67 O ATOM 2051 CB ASN B 87 30.917 21.477 21.489 1.00 27.26 C ATOM 2052 CG ASN B 87 31.189 21.188 20.036 1.00 25.85 C ATOM 2053 OD1 ASN B 87 30.748 21.919 19.155 1.00 28.34 O ATOM 2054 ND2 ASN B 87 31.931 20.121 19.777 1.00 25.46 N ATOM 0 H ASN B 87 33.484 21.480 22.467 1.00 27.88 H new ATOM 0 HA ASN B 87 31.802 23.381 21.595 1.00 27.79 H new ATOM 0 HB2 ASN B 87 31.007 20.657 21.999 1.00 27.26 H new ATOM 0 HB3 ASN B 87 29.999 21.774 21.589 1.00 27.26 H new ATOM 0 HD21 ASN B 87 32.122 19.917 18.964 1.00 25.46 H new ATOM 0 HD22 ASN B 87 32.222 19.633 20.422 1.00 25.46 H new ATOM 2055 N VAL B 88 30.559 23.720 23.717 1.00 29.72 N ATOM 2056 CA VAL B 88 29.945 23.981 25.010 1.00 30.81 C ATOM 2057 C VAL B 88 28.471 23.998 24.630 1.00 31.87 C ATOM 2058 O VAL B 88 28.012 24.885 23.902 1.00 30.80 O ATOM 2059 CB VAL B 88 30.333 25.340 25.610 1.00 32.58 C ATOM 2060 CG1 VAL B 88 29.568 25.561 26.922 1.00 33.49 C ATOM 2061 CG2 VAL B 88 31.825 25.381 25.869 1.00 34.22 C ATOM 0 H VAL B 88 30.314 24.266 23.100 1.00 29.72 H new ATOM 0 HA VAL B 88 30.210 23.335 25.684 1.00 30.81 H new ATOM 0 HB VAL B 88 30.103 26.044 24.984 1.00 32.58 H new ATOM 0 HG11 VAL B 88 29.814 26.420 27.300 1.00 33.49 H new ATOM 0 HG12 VAL B 88 28.614 25.547 26.747 1.00 33.49 H new ATOM 0 HG13 VAL B 88 29.792 24.856 27.550 1.00 33.49 H new ATOM 0 HG21 VAL B 88 32.064 26.241 26.248 1.00 34.22 H new ATOM 0 HG22 VAL B 88 32.065 24.676 26.491 1.00 34.22 H new ATOM 0 HG23 VAL B 88 32.302 25.252 25.034 1.00 34.22 H new ATOM 2062 N APHE B 89 27.756 23.013 25.164 0.70 30.61 N ATOM 2063 N BPHE B 89 27.714 22.993 25.052 0.31 32.51 N ATOM 2064 CA APHE B 89 26.344 22.755 24.903 0.70 31.75 C ATOM 2065 CA BPHE B 89 26.302 23.035 24.725 0.31 33.64 C ATOM 2066 C APHE B 89 25.484 23.165 26.104 0.70 33.03 C ATOM 2067 C BPHE B 89 25.503 23.188 25.998 0.31 34.26 C ATOM 2068 O APHE B 89 25.740 22.722 27.225 0.70 33.82 O ATOM 2069 O BPHE B 89 25.792 22.583 27.031 0.31 34.66 O ATOM 2070 CB APHE B 89 26.243 21.241 24.613 0.70 30.53 C ATOM 2071 CB BPHE B 89 25.841 21.828 23.900 0.31 34.76 C ATOM 2072 CG APHE B 89 24.876 20.748 24.211 0.70 31.38 C ATOM 2073 CG BPHE B 89 25.902 20.533 24.631 0.31 35.23 C ATOM 2074 CD1APHE B 89 23.974 20.298 25.168 0.70 32.30 C ATOM 2075 CD1BPHE B 89 27.081 19.809 24.678 0.31 35.58 C ATOM 2076 CD2APHE B 89 24.532 20.638 22.867 0.70 31.15 C ATOM 2077 CD2BPHE B 89 24.748 19.985 25.183 0.31 35.63 C ATOM 2078 CE1APHE B 89 22.747 19.738 24.788 0.70 32.83 C ATOM 2079 CE1BPHE B 89 27.125 18.583 25.307 0.31 37.04 C ATOM 2080 CE2APHE B 89 23.309 20.083 22.478 0.70 32.54 C ATOM 2081 CE2BPHE B 89 24.782 18.755 25.818 0.31 36.49 C ATOM 2082 CZ APHE B 89 22.420 19.628 23.442 0.70 31.16 C ATOM 2083 CZ BPHE B 89 25.965 18.039 25.857 0.31 36.51 C ATOM 0 H APHE B 89 28.098 22.449 25.716 0.70 32.51 H new ATOM 0 H BPHE B 89 27.981 22.313 25.505 0.31 32.51 H new ATOM 0 HA APHE B 89 26.013 23.274 24.153 0.70 33.64 H new ATOM 0 HA BPHE B 89 26.147 23.804 24.155 0.31 33.64 H new ATOM 0 HB2APHE B 89 26.870 21.020 23.907 0.70 34.76 H new ATOM 0 HB2BPHE B 89 24.929 21.979 23.605 0.31 34.76 H new ATOM 0 HB3APHE B 89 26.525 20.756 25.404 0.70 34.76 H new ATOM 0 HB3BPHE B 89 26.390 21.765 23.103 0.31 34.76 H new ATOM 0 HD1APHE B 89 24.187 20.369 26.070 0.70 35.58 H new ATOM 0 HD1BPHE B 89 27.849 20.152 24.282 0.31 35.58 H new ATOM 0 HD2APHE B 89 25.125 20.939 22.217 0.70 35.63 H new ATOM 0 HD2BPHE B 89 23.945 20.450 25.125 0.31 35.63 H new ATOM 0 HE1APHE B 89 22.151 19.440 25.437 0.70 37.04 H new ATOM 0 HE1BPHE B 89 27.929 18.119 25.364 0.31 37.04 H new ATOM 0 HE2APHE B 89 23.092 20.019 21.576 0.70 36.49 H new ATOM 0 HE2BPHE B 89 24.014 18.412 26.216 0.31 36.49 H new ATOM 0 HZ APHE B 89 21.609 19.251 23.188 0.70 36.51 H new ATOM 0 HZ BPHE B 89 25.987 17.196 26.249 0.31 36.51 H new ATOM 2084 N LYS B 90 24.493 24.032 25.890 1.00 34.82 N ATOM 2085 CA LYS B 90 23.624 24.413 26.988 1.00 35.54 C ATOM 2086 C LYS B 90 22.182 24.005 26.739 1.00 36.19 C ATOM 2087 O LYS B 90 21.638 24.234 25.660 1.00 34.61 O ATOM 2088 CB LYS B 90 23.713 25.925 27.184 1.00 39.19 C ATOM 2089 CG LYS B 90 22.628 26.524 28.054 1.00 46.63 C ATOM 2090 CD LYS B 90 22.722 26.057 29.485 1.00 50.85 C ATOM 2091 CE LYS B 90 21.617 26.691 30.316 1.00 52.81 C ATOM 2092 NZ LYS B 90 21.667 28.177 30.214 1.00 56.77 N ATOM 0 H ALYS B 90 24.314 24.400 25.134 0.70 34.82 H new ATOM 0 H BLYS B 90 24.286 24.414 25.148 0.31 34.82 H new ATOM 0 HA LYS B 90 23.919 23.950 27.788 1.00 35.54 H new ATOM 0 HB2 LYS B 90 24.575 26.136 27.575 1.00 39.19 H new ATOM 0 HB3 LYS B 90 23.683 26.352 26.314 1.00 39.19 H new ATOM 0 HG2 LYS B 90 22.691 27.492 28.027 1.00 46.63 H new ATOM 0 HG3 LYS B 90 21.759 26.286 27.694 1.00 46.63 H new ATOM 0 HD2 LYS B 90 22.650 25.090 29.522 1.00 50.85 H new ATOM 0 HD3 LYS B 90 23.588 26.292 29.853 1.00 50.85 H new ATOM 0 HE2 LYS B 90 20.753 26.370 30.012 1.00 52.81 H new ATOM 0 HE3 LYS B 90 21.709 26.423 31.244 1.00 52.81 H new ATOM 0 HZ1 LYS B 90 21.256 28.537 30.916 1.00 56.77 H new ATOM 0 HZ2 LYS B 90 22.515 28.445 30.198 1.00 56.77 H new ATOM 0 HZ3 LYS B 90 21.260 28.437 29.467 1.00 56.77 H new ATOM 2093 N ILE B 91 21.563 23.394 27.739 1.00 34.05 N ATOM 2094 CA ILE B 91 20.176 22.990 27.602 1.00 35.19 C ATOM 2095 C ILE B 91 19.329 24.162 28.069 1.00 35.72 C ATOM 2096 O ILE B 91 19.409 24.579 29.225 1.00 37.73 O ATOM 2097 CB ILE B 91 19.879 21.723 28.427 1.00 36.50 C ATOM 2098 CG1 ILE B 91 20.765 20.580 27.914 1.00 36.42 C ATOM 2099 CG2 ILE B 91 18.390 21.373 28.336 1.00 34.92 C ATOM 2100 CD1 ILE B 91 20.246 19.180 28.196 1.00 42.14 C ATOM 0 H ILE B 91 21.924 23.206 28.496 1.00 34.05 H new ATOM 0 HA ILE B 91 19.974 22.766 26.680 1.00 35.19 H new ATOM 0 HB ILE B 91 20.082 21.875 29.363 1.00 36.50 H new ATOM 0 HG12 ILE B 91 20.875 20.681 26.956 1.00 36.42 H new ATOM 0 HG13 ILE B 91 21.645 20.669 28.312 1.00 36.42 H new ATOM 0 HG21 ILE B 91 18.213 20.575 28.858 1.00 34.92 H new ATOM 0 HG22 ILE B 91 17.862 22.109 28.683 1.00 34.92 H new ATOM 0 HG23 ILE B 91 18.151 21.213 27.410 1.00 34.92 H new ATOM 0 HD11 ILE B 91 20.867 18.526 27.838 1.00 42.14 H new ATOM 0 HD12 ILE B 91 20.160 19.053 29.154 1.00 42.14 H new ATOM 0 HD13 ILE B 91 19.379 19.066 27.777 1.00 42.14 H new ATOM 2101 N VAL B 92 18.538 24.700 27.148 1.00 33.55 N ATOM 2102 CA VAL B 92 17.685 25.852 27.412 1.00 35.63 C ATOM 2103 C VAL B 92 16.311 25.448 27.921 1.00 37.09 C ATOM 2104 O VAL B 92 15.706 26.149 28.737 1.00 35.27 O ATOM 2105 CB VAL B 92 17.541 26.705 26.138 1.00 35.09 C ATOM 2106 CG1 VAL B 92 16.478 27.773 26.324 1.00 38.30 C ATOM 2107 CG2 VAL B 92 18.881 27.344 25.806 1.00 37.37 C ATOM 0 H VAL B 92 18.481 24.403 26.343 1.00 33.55 H new ATOM 0 HA VAL B 92 18.112 26.373 28.110 1.00 35.63 H new ATOM 0 HB VAL B 92 17.266 26.134 25.404 1.00 35.09 H new ATOM 0 HG11 VAL B 92 16.402 28.299 25.513 1.00 38.30 H new ATOM 0 HG12 VAL B 92 15.626 27.352 26.517 1.00 38.30 H new ATOM 0 HG13 VAL B 92 16.726 28.352 27.062 1.00 38.30 H new ATOM 0 HG21 VAL B 92 18.793 27.882 25.004 1.00 37.37 H new ATOM 0 HG22 VAL B 92 19.163 27.908 26.544 1.00 37.37 H new ATOM 0 HG23 VAL B 92 19.543 26.650 25.659 1.00 37.37 H new ATOM 2108 N SER B 93 15.818 24.319 27.429 1.00 34.93 N ATOM 2109 CA SER B 93 14.527 23.806 27.858 1.00 35.74 C ATOM 2110 C SER B 93 14.551 22.294 27.688 1.00 35.94 C ATOM 2111 O SER B 93 15.051 21.788 26.680 1.00 34.41 O ATOM 2112 CB SER B 93 13.401 24.415 27.021 1.00 36.39 C ATOM 2113 OG SER B 93 12.142 24.063 27.565 1.00 36.61 O ATOM 0 H SER B 93 16.218 23.833 26.843 1.00 34.93 H new ATOM 0 HA SER B 93 14.364 24.042 28.785 1.00 35.74 H new ATOM 0 HB2 SER B 93 13.492 25.380 26.998 1.00 36.39 H new ATOM 0 HB3 SER B 93 13.464 24.102 26.105 1.00 36.39 H new ATOM 0 HG SER B 93 11.709 23.614 27.002 1.00 36.61 H new ATOM 2114 N LEU B 94 14.015 21.577 28.671 1.00 35.23 N ATOM 2115 CA LEU B 94 14.003 20.121 28.621 1.00 38.97 C ATOM 2116 C LEU B 94 12.829 19.513 29.372 1.00 40.74 C ATOM 2117 O LEU B 94 12.513 19.921 30.487 1.00 41.08 O ATOM 2118 CB LEU B 94 15.304 19.568 29.205 1.00 40.06 C ATOM 2119 CG LEU B 94 15.428 18.047 29.301 1.00 42.09 C ATOM 2120 CD1 LEU B 94 15.339 17.425 27.907 1.00 42.87 C ATOM 2121 CD2 LEU B 94 16.755 17.694 29.963 1.00 43.29 C ATOM 0 H LEU B 94 13.654 21.915 29.375 1.00 35.23 H new ATOM 0 HA LEU B 94 13.914 19.877 27.687 1.00 38.97 H new ATOM 0 HB2 LEU B 94 16.041 19.898 28.667 1.00 40.06 H new ATOM 0 HB3 LEU B 94 15.416 19.937 30.095 1.00 40.06 H new ATOM 0 HG LEU B 94 14.702 17.693 29.838 1.00 42.09 H new ATOM 0 HD11 LEU B 94 15.419 16.461 27.977 1.00 42.87 H new ATOM 0 HD12 LEU B 94 14.485 17.650 27.506 1.00 42.87 H new ATOM 0 HD13 LEU B 94 16.057 17.769 27.353 1.00 42.87 H new ATOM 0 HD21 LEU B 94 16.839 16.730 30.026 1.00 43.29 H new ATOM 0 HD22 LEU B 94 17.486 18.047 29.432 1.00 43.29 H new ATOM 0 HD23 LEU B 94 16.786 18.080 30.852 1.00 43.29 H new ATOM 2122 N SER B 95 12.189 18.531 28.751 1.00 41.31 N ATOM 2123 CA SER B 95 11.062 17.852 29.366 1.00 41.61 C ATOM 2124 C SER B 95 10.969 16.451 28.798 1.00 42.49 C ATOM 2125 O SER B 95 11.804 16.030 27.998 1.00 41.18 O ATOM 2126 CB SER B 95 9.757 18.599 29.088 1.00 41.57 C ATOM 2127 OG SER B 95 9.293 18.335 27.774 1.00 41.84 O ATOM 0 H SER B 95 12.395 18.242 27.967 1.00 41.31 H new ATOM 0 HA SER B 95 11.198 17.822 30.326 1.00 41.61 H new ATOM 0 HB2 SER B 95 9.083 18.332 29.733 1.00 41.57 H new ATOM 0 HB3 SER B 95 9.895 19.552 29.201 1.00 41.57 H new ATOM 0 HG SER B 95 8.500 18.601 27.698 1.00 41.84 H new ATOM 2128 N ARG B 96 9.931 15.738 29.212 1.00 43.32 N ATOM 2129 CA ARG B 96 9.696 14.377 28.766 1.00 45.79 C ATOM 2130 C ARG B 96 9.639 14.215 27.251 1.00 43.67 C ATOM 2131 O ARG B 96 9.924 13.138 26.734 1.00 45.35 O ATOM 2132 CB ARG B 96 8.387 13.861 29.378 1.00 49.26 C ATOM 2133 CG ARG B 96 7.960 12.489 28.870 1.00 54.62 C ATOM 2134 CD ARG B 96 6.932 11.846 29.796 1.00 58.10 C ATOM 2135 NE ARG B 96 6.947 10.395 29.646 1.00 61.69 N ATOM 2136 CZ ARG B 96 6.356 9.733 28.658 1.00 63.83 C ATOM 2137 NH1 ARG B 96 5.682 10.389 27.721 1.00 63.97 N ATOM 2138 NH2 ARG B 96 6.467 8.414 28.593 1.00 65.42 N ATOM 0 H ARG B 96 9.340 16.033 29.763 1.00 43.32 H new ATOM 0 HA ARG B 96 10.459 13.859 29.067 1.00 45.79 H new ATOM 0 HB2 ARG B 96 8.486 13.822 30.342 1.00 49.26 H new ATOM 0 HB3 ARG B 96 7.680 14.499 29.191 1.00 49.26 H new ATOM 0 HG2 ARG B 96 7.586 12.574 27.979 1.00 54.62 H new ATOM 0 HG3 ARG B 96 8.737 11.913 28.798 1.00 54.62 H new ATOM 0 HD2 ARG B 96 7.124 12.084 30.717 1.00 58.10 H new ATOM 0 HD3 ARG B 96 6.047 12.188 29.594 1.00 58.10 H new ATOM 0 HE ARG B 96 7.368 9.936 30.239 1.00 61.69 H new ATOM 0 HH11 ARG B 96 5.627 11.247 27.752 1.00 63.97 H new ATOM 0 HH12 ARG B 96 5.301 9.956 27.083 1.00 63.97 H new ATOM 0 HH21 ARG B 96 6.920 7.991 29.189 1.00 65.42 H new ATOM 0 HH22 ARG B 96 6.086 7.981 27.955 1.00 65.42 H new ATOM 2139 N THR B 97 9.291 15.278 26.535 1.00 40.98 N ATOM 2140 CA THR B 97 9.169 15.166 25.090 1.00 41.09 C ATOM 2141 C THR B 97 9.998 16.099 24.214 1.00 37.61 C ATOM 2142 O THR B 97 10.053 15.901 23.004 1.00 37.21 O ATOM 2143 CB THR B 97 7.711 15.347 24.664 1.00 42.19 C ATOM 2144 OG1 THR B 97 7.254 16.636 25.095 1.00 46.32 O ATOM 2145 CG2 THR B 97 6.838 14.258 25.277 1.00 47.10 C ATOM 0 H THR B 97 9.125 16.057 26.859 1.00 40.98 H new ATOM 0 HA THR B 97 9.527 14.278 24.935 1.00 41.09 H new ATOM 0 HB THR B 97 7.650 15.282 23.698 1.00 42.19 H new ATOM 0 HG1 THR B 97 6.454 16.742 24.862 1.00 46.32 H new ATOM 0 HG21 THR B 97 5.918 14.386 24.998 1.00 47.10 H new ATOM 0 HG22 THR B 97 7.148 13.389 24.979 1.00 47.10 H new ATOM 0 HG23 THR B 97 6.892 14.306 26.244 1.00 47.10 H new ATOM 2146 N HIS B 98 10.641 17.105 24.795 1.00 34.61 N ATOM 2147 CA HIS B 98 11.405 18.031 23.963 1.00 33.96 C ATOM 2148 C HIS B 98 12.708 18.500 24.585 1.00 32.85 C ATOM 2149 O HIS B 98 12.889 18.472 25.804 1.00 33.93 O ATOM 2150 CB HIS B 98 10.564 19.270 23.669 1.00 35.33 C ATOM 2151 CG HIS B 98 10.589 20.270 24.779 1.00 38.63 C ATOM 2152 ND1 HIS B 98 10.017 20.247 26.007 1.00 40.99 N flip ATOM 2153 CD2 HIS B 98 11.387 21.392 24.749 1.00 41.14 C flip ATOM 2154 CE1 HIS B 98 10.489 21.339 26.693 1.00 39.54 C flip ATOM 2155 NE2 HIS B 98 11.311 22.015 25.913 1.00 42.96 N flip ATOM 0 H HIS B 98 10.651 17.268 25.639 1.00 34.61 H new ATOM 0 HA HIS B 98 11.625 17.534 23.160 1.00 33.96 H new ATOM 0 HB2 HIS B 98 10.887 19.689 22.856 1.00 35.33 H new ATOM 0 HB3 HIS B 98 9.647 19.000 23.504 1.00 35.33 H new ATOM 0 HD1 HIS B 98 9.463 19.659 26.301 1.00 40.99 H new ATOM 0 HD2 HIS B 98 11.899 21.668 24.024 1.00 41.14 H new ATOM 0 HE1 HIS B 98 10.265 21.566 27.567 1.00 39.54 H new ATOM 2156 N LEU B 99 13.601 18.964 23.721 1.00 29.91 N ATOM 2157 CA LEU B 99 14.888 19.492 24.141 1.00 29.76 C ATOM 2158 C LEU B 99 15.250 20.653 23.228 1.00 28.91 C ATOM 2159 O LEU B 99 15.270 20.504 22.007 1.00 26.14 O ATOM 2160 CB LEU B 99 15.974 18.406 24.059 1.00 31.35 C ATOM 2161 CG LEU B 99 17.449 18.836 24.104 1.00 34.07 C ATOM 2162 CD1 LEU B 99 17.682 19.874 25.189 1.00 36.01 C ATOM 2163 CD2 LEU B 99 18.319 17.599 24.338 1.00 36.84 C ATOM 0 H LEU B 99 13.476 18.981 22.870 1.00 29.91 H new ATOM 0 HA LEU B 99 14.831 19.791 25.062 1.00 29.76 H new ATOM 0 HB2 LEU B 99 15.826 17.785 24.789 1.00 31.35 H new ATOM 0 HB3 LEU B 99 15.836 17.913 23.235 1.00 31.35 H new ATOM 0 HG LEU B 99 17.689 19.245 23.258 1.00 34.07 H new ATOM 0 HD11 LEU B 99 18.618 20.129 25.198 1.00 36.01 H new ATOM 0 HD12 LEU B 99 17.136 20.656 25.012 1.00 36.01 H new ATOM 0 HD13 LEU B 99 17.441 19.501 26.051 1.00 36.01 H new ATOM 0 HD21 LEU B 99 19.253 17.861 24.368 1.00 36.84 H new ATOM 0 HD22 LEU B 99 18.073 17.184 25.180 1.00 36.84 H new ATOM 0 HD23 LEU B 99 18.184 16.967 23.615 1.00 36.84 H new ATOM 2164 N VAL B 100 15.497 21.817 23.825 1.00 28.37 N ATOM 2165 CA VAL B 100 15.905 23.000 23.074 1.00 27.94 C ATOM 2166 C VAL B 100 17.304 23.281 23.596 1.00 28.86 C ATOM 2167 O VAL B 100 17.515 23.363 24.806 1.00 30.23 O ATOM 2168 CB VAL B 100 15.010 24.223 23.359 1.00 29.12 C ATOM 2169 CG1 VAL B 100 15.535 25.438 22.584 1.00 31.10 C ATOM 2170 CG2 VAL B 100 13.565 23.918 22.974 1.00 31.56 C ATOM 0 H VAL B 100 15.433 21.942 24.673 1.00 28.37 H new ATOM 0 HA VAL B 100 15.849 22.846 22.118 1.00 27.94 H new ATOM 0 HB VAL B 100 15.034 24.425 24.307 1.00 29.12 H new ATOM 0 HG11 VAL B 100 14.971 26.206 22.765 1.00 31.10 H new ATOM 0 HG12 VAL B 100 16.443 25.632 22.863 1.00 31.10 H new ATOM 0 HG13 VAL B 100 15.523 25.245 21.633 1.00 31.10 H new ATOM 0 HG21 VAL B 100 13.011 24.693 23.157 1.00 31.56 H new ATOM 0 HG22 VAL B 100 13.520 23.705 22.029 1.00 31.56 H new ATOM 0 HG23 VAL B 100 13.245 23.162 23.491 1.00 31.56 H new ATOM 2171 N ALA B 101 18.264 23.416 22.693 1.00 29.55 N ATOM 2172 CA ALA B 101 19.634 23.644 23.120 1.00 30.14 C ATOM 2173 C ALA B 101 20.374 24.676 22.291 1.00 30.22 C ATOM 2174 O ALA B 101 19.993 24.989 21.164 1.00 28.72 O ATOM 2175 CB ALA B 101 20.398 22.329 23.097 1.00 33.68 C ATOM 0 H ALA B 101 18.147 23.380 21.842 1.00 29.55 H new ATOM 0 HA ALA B 101 19.584 24.003 24.020 1.00 30.14 H new ATOM 0 HB1 ALA B 101 21.313 22.481 23.382 1.00 33.68 H new ATOM 0 HB2 ALA B 101 19.973 21.697 23.698 1.00 33.68 H new ATOM 0 HB3 ALA B 101 20.396 21.969 22.196 1.00 33.68 H new ATOM 2176 N HIS B 102 21.442 25.196 22.883 1.00 28.13 N ATOM 2177 CA HIS B 102 22.299 26.186 22.260 1.00 29.69 C ATOM 2178 C HIS B 102 23.709 25.614 22.354 1.00 28.10 C ATOM 2179 O HIS B 102 24.133 25.205 23.428 1.00 30.22 O ATOM 2180 CB HIS B 102 22.223 27.503 23.036 1.00 30.22 C ATOM 2181 CG HIS B 102 23.240 28.515 22.606 1.00 32.00 C ATOM 2182 ND1 HIS B 102 23.963 29.265 23.507 1.00 34.17 N ATOM 2183 CD2 HIS B 102 23.641 28.911 21.377 1.00 32.01 C ATOM 2184 CE1 HIS B 102 24.767 30.083 22.850 1.00 35.55 C ATOM 2185 NE2 HIS B 102 24.592 29.890 21.556 1.00 33.10 N ATOM 0 H HIS B 102 21.692 24.976 23.676 1.00 28.13 H new ATOM 0 HA HIS B 102 22.038 26.367 21.344 1.00 29.69 H new ATOM 0 HB2 HIS B 102 21.336 27.882 22.929 1.00 30.22 H new ATOM 0 HB3 HIS B 102 22.341 27.319 23.981 1.00 30.22 H new ATOM 0 HD2 HIS B 102 23.332 28.583 20.563 1.00 32.01 H new ATOM 0 HE1 HIS B 102 25.356 30.691 23.234 1.00 35.55 H new ATOM 0 HE2 HIS B 102 25.005 30.308 20.928 1.00 33.10 H new ATOM 2186 N ASN B 103 24.418 25.568 21.231 1.00 26.97 N ATOM 2187 CA ASN B 103 25.775 25.028 21.217 1.00 27.52 C ATOM 2188 C ASN B 103 26.748 26.030 20.627 1.00 29.21 C ATOM 2189 O ASN B 103 26.455 26.684 19.627 1.00 29.49 O ATOM 2190 CB ASN B 103 25.823 23.718 20.406 1.00 28.27 C ATOM 2191 CG ASN B 103 27.220 23.090 20.374 1.00 30.09 C ATOM 2192 OD1 ASN B 103 27.640 22.538 21.500 1.00 32.67 O flip ATOM 2193 ND2 ASN B 103 27.907 23.101 19.345 1.00 27.99 N flip ATOM 0 H ASN B 103 24.133 25.843 20.468 1.00 26.97 H new ATOM 0 HA ASN B 103 26.034 24.845 22.134 1.00 27.52 H new ATOM 0 HB2 ASN B 103 25.196 23.083 20.787 1.00 28.27 H new ATOM 0 HB3 ASN B 103 25.531 23.894 19.498 1.00 28.27 H new ATOM 0 HD21 ASN B 103 27.603 23.469 18.629 1.00 27.99 H new ATOM 0 HD22 ASN B 103 28.688 22.741 19.346 1.00 27.99 H new ATOM 2194 N ILE B 104 27.901 26.158 21.272 1.00 28.15 N ATOM 2195 CA ILE B 104 28.950 27.049 20.804 1.00 28.99 C ATOM 2196 C ILE B 104 30.077 26.122 20.368 1.00 28.00 C ATOM 2197 O ILE B 104 30.554 25.307 21.162 1.00 25.88 O ATOM 2198 CB ILE B 104 29.461 27.965 21.942 1.00 31.44 C ATOM 2199 CG1 ILE B 104 28.323 28.850 22.452 1.00 33.54 C ATOM 2200 CG2 ILE B 104 30.621 28.821 21.446 1.00 30.50 C ATOM 2201 CD1 ILE B 104 28.658 29.580 23.744 1.00 36.15 C ATOM 0 H ILE B 104 28.096 25.731 21.992 1.00 28.15 H new ATOM 0 HA ILE B 104 28.629 27.628 20.095 1.00 28.99 H new ATOM 0 HB ILE B 104 29.777 27.413 22.674 1.00 31.44 H new ATOM 0 HG12 ILE B 104 28.098 29.501 21.769 1.00 33.54 H new ATOM 0 HG13 ILE B 104 27.535 28.303 22.593 1.00 33.54 H new ATOM 0 HG21 ILE B 104 30.934 29.391 22.166 1.00 30.50 H new ATOM 0 HG22 ILE B 104 31.345 28.246 21.151 1.00 30.50 H new ATOM 0 HG23 ILE B 104 30.324 29.371 20.705 1.00 30.50 H new ATOM 0 HD11 ILE B 104 27.901 30.122 24.015 1.00 36.15 H new ATOM 0 HD12 ILE B 104 28.858 28.933 24.439 1.00 36.15 H new ATOM 0 HD13 ILE B 104 29.430 30.151 23.603 1.00 36.15 H new ATOM 2202 N ASN B 105 30.473 26.224 19.100 1.00 26.86 N ATOM 2203 CA ASN B 105 31.549 25.403 18.556 1.00 26.85 C ATOM 2204 C ASN B 105 32.706 26.274 18.076 1.00 26.71 C ATOM 2205 O ASN B 105 32.493 27.312 17.461 1.00 28.94 O ATOM 2206 CB ASN B 105 31.036 24.552 17.382 1.00 28.25 C ATOM 2207 CG ASN B 105 32.171 23.868 16.599 1.00 29.67 C ATOM 2208 OD1 ASN B 105 32.661 24.399 15.602 1.00 30.14 O ATOM 2209 ND2 ASN B 105 32.590 22.690 17.060 1.00 29.43 N ATOM 0 H ASN B 105 30.125 26.770 18.534 1.00 26.86 H new ATOM 0 HA ASN B 105 31.863 24.820 19.264 1.00 26.85 H new ATOM 0 HB2 ASN B 105 30.429 23.875 17.720 1.00 28.25 H new ATOM 0 HB3 ASN B 105 30.526 25.115 16.779 1.00 28.25 H new ATOM 0 HD21 ASN B 105 33.225 22.272 16.658 1.00 29.43 H new ATOM 0 HD22 ASN B 105 32.225 22.348 17.760 1.00 29.43 H new ATOM 2210 N VAL B 106 33.925 25.857 18.393 1.00 29.19 N ATOM 2211 CA VAL B 106 35.124 26.564 17.945 1.00 31.69 C ATOM 2212 C VAL B 106 35.929 25.468 17.253 1.00 34.34 C ATOM 2213 O VAL B 106 36.354 24.509 17.901 1.00 34.42 O ATOM 2214 CB VAL B 106 35.916 27.156 19.135 1.00 32.78 C ATOM 2215 CG1 VAL B 106 37.175 27.852 18.635 1.00 33.88 C ATOM 2216 CG2 VAL B 106 35.039 28.157 19.883 1.00 33.63 C ATOM 0 H VAL B 106 34.083 25.160 18.871 1.00 29.19 H new ATOM 0 HA VAL B 106 34.922 27.320 17.371 1.00 31.69 H new ATOM 0 HB VAL B 106 36.172 26.437 19.733 1.00 32.78 H new ATOM 0 HG11 VAL B 106 37.663 28.219 19.389 1.00 33.88 H new ATOM 0 HG12 VAL B 106 37.735 27.212 18.168 1.00 33.88 H new ATOM 0 HG13 VAL B 106 36.930 28.569 18.029 1.00 33.88 H new ATOM 0 HG21 VAL B 106 35.535 28.528 20.629 1.00 33.63 H new ATOM 0 HG22 VAL B 106 34.778 28.872 19.281 1.00 33.63 H new ATOM 0 HG23 VAL B 106 34.246 27.708 20.215 1.00 33.63 H new ATOM 2217 N ASP B 107 36.119 25.592 15.940 1.00 36.08 N ATOM 2218 CA ASP B 107 36.832 24.562 15.190 1.00 41.32 C ATOM 2219 C ASP B 107 38.355 24.632 15.210 1.00 43.08 C ATOM 2220 O ASP B 107 38.947 25.483 15.873 1.00 41.76 O ATOM 2221 CB ASP B 107 36.340 24.508 13.730 1.00 42.02 C ATOM 2222 CG ASP B 107 36.630 25.785 12.948 1.00 42.93 C ATOM 2223 OD1 ASP B 107 37.677 26.420 13.187 1.00 39.21 O ATOM 2224 OD2 ASP B 107 35.810 26.138 12.070 1.00 45.37 O ATOM 0 H ASP B 107 35.846 26.258 15.470 1.00 36.08 H new ATOM 0 HA ASP B 107 36.614 23.747 15.668 1.00 41.32 H new ATOM 0 HB2 ASP B 107 36.761 23.758 13.281 1.00 42.02 H new ATOM 0 HB3 ASP B 107 35.384 24.342 13.723 1.00 42.02 H new ATOM 2225 N LYS B 108 38.973 23.708 14.474 1.00 48.08 N ATOM 2226 CA LYS B 108 40.432 23.595 14.364 1.00 51.75 C ATOM 2227 C LYS B 108 41.123 24.830 13.828 1.00 52.52 C ATOM 2228 O LYS B 108 42.344 24.841 13.695 1.00 53.96 O ATOM 2229 CB LYS B 108 40.813 22.416 13.464 1.00 54.80 C ATOM 2230 CG LYS B 108 39.810 22.121 12.411 1.00 58.27 C ATOM 2231 CD LYS B 108 38.688 21.392 13.053 1.00 61.95 C ATOM 2232 CE LYS B 108 37.627 21.049 12.107 1.00 64.11 C ATOM 2233 NZ LYS B 108 36.514 20.443 12.876 1.00 64.73 N ATOM 0 H LYS B 108 38.549 23.117 14.015 1.00 48.08 H new ATOM 0 HA LYS B 108 40.736 23.465 15.276 1.00 51.75 H new ATOM 0 HB2 LYS B 108 41.667 22.603 13.043 1.00 54.80 H new ATOM 0 HB3 LYS B 108 40.935 21.626 14.014 1.00 54.80 H new ATOM 0 HG2 LYS B 108 39.494 22.942 12.002 1.00 58.27 H new ATOM 0 HG3 LYS B 108 40.205 21.586 11.705 1.00 58.27 H new ATOM 0 HD2 LYS B 108 39.026 20.581 13.463 1.00 61.95 H new ATOM 0 HD3 LYS B 108 38.318 21.937 13.765 1.00 61.95 H new ATOM 0 HE2 LYS B 108 37.323 21.840 11.635 1.00 64.11 H new ATOM 0 HE3 LYS B 108 37.956 20.428 11.438 1.00 64.11 H new ATOM 0 HZ1 LYS B 108 36.100 19.837 12.372 1.00 64.73 H new ATOM 0 HZ2 LYS B 108 36.837 20.051 13.607 1.00 64.73 H new ATOM 0 HZ3 LYS B 108 35.936 21.077 13.111 1.00 64.73 H new ATOM 2234 N HIS B 109 40.353 25.862 13.504 1.00 52.75 N ATOM 2235 CA HIS B 109 40.942 27.088 12.982 1.00 52.46 C ATOM 2236 C HIS B 109 40.592 28.314 13.813 1.00 50.91 C ATOM 2237 O HIS B 109 40.863 29.444 13.406 1.00 51.38 O ATOM 2238 CB HIS B 109 40.515 27.300 11.529 1.00 54.04 C ATOM 2239 CG HIS B 109 41.113 26.312 10.576 1.00 56.89 C ATOM 2240 ND1 HIS B 109 42.470 26.095 10.489 1.00 57.82 N ATOM 2241 CD2 HIS B 109 40.540 25.492 9.662 1.00 57.78 C ATOM 2242 CE1 HIS B 109 42.710 25.183 9.562 1.00 58.26 C ATOM 2243 NE2 HIS B 109 41.556 24.802 9.046 1.00 58.89 N ATOM 0 H HIS B 109 39.496 25.874 13.578 1.00 52.75 H new ATOM 0 HA HIS B 109 41.905 26.980 13.030 1.00 52.46 H new ATOM 0 HB2 HIS B 109 39.548 27.247 11.473 1.00 54.04 H new ATOM 0 HB3 HIS B 109 40.766 28.196 11.254 1.00 54.04 H new ATOM 0 HD2 HIS B 109 39.631 25.411 9.485 1.00 57.78 H new ATOM 0 HE1 HIS B 109 43.548 24.864 9.316 1.00 58.26 H new ATOM 0 HE2 HIS B 109 41.456 24.216 8.424 1.00 58.89 H new ATOM 2244 N GLY B 110 39.997 28.088 14.981 1.00 48.16 N ATOM 2245 CA GLY B 110 39.629 29.194 15.848 1.00 44.46 C ATOM 2246 C GLY B 110 38.352 29.905 15.426 1.00 41.32 C ATOM 2247 O GLY B 110 38.022 30.965 15.958 1.00 42.10 O ATOM 0 H GLY B 110 39.800 27.308 15.285 1.00 48.16 H new ATOM 0 HA2 GLY B 110 39.521 28.863 16.753 1.00 44.46 H new ATOM 0 HA3 GLY B 110 40.356 29.836 15.866 1.00 44.46 H new ATOM 2248 N GLN B 111 37.637 29.324 14.468 1.00 39.73 N ATOM 2249 CA GLN B 111 36.387 29.900 13.969 1.00 38.42 C ATOM 2250 C GLN B 111 35.234 29.514 14.896 1.00 35.52 C ATOM 2251 O GLN B 111 35.075 28.343 15.234 1.00 33.32 O ATOM 2252 CB GLN B 111 36.112 29.385 12.553 1.00 41.71 C ATOM 2253 CG GLN B 111 34.893 29.988 11.883 1.00 48.63 C ATOM 2254 CD GLN B 111 34.722 29.510 10.451 1.00 51.64 C ATOM 2255 OE1 GLN B 111 34.522 28.320 10.199 1.00 54.39 O ATOM 2256 NE2 GLN B 111 34.806 30.439 9.504 1.00 54.29 N ATOM 0 H GLN B 111 37.860 28.586 14.088 1.00 39.73 H new ATOM 0 HA GLN B 111 36.466 30.867 13.947 1.00 38.42 H new ATOM 0 HB2 GLN B 111 36.890 29.562 12.001 1.00 41.71 H new ATOM 0 HB3 GLN B 111 36.003 28.422 12.588 1.00 41.71 H new ATOM 0 HG2 GLN B 111 34.101 29.760 12.394 1.00 48.63 H new ATOM 0 HG3 GLN B 111 34.968 30.955 11.892 1.00 48.63 H new ATOM 0 HE21 GLN B 111 34.947 31.260 9.718 1.00 54.29 H new ATOM 0 HE22 GLN B 111 34.720 30.219 8.677 1.00 54.29 H new ATOM 2257 N THR B 112 34.430 30.497 15.296 1.00 33.86 N ATOM 2258 CA THR B 112 33.313 30.239 16.202 1.00 33.40 C ATOM 2259 C THR B 112 31.961 30.205 15.488 1.00 32.40 C ATOM 2260 O THR B 112 31.659 31.061 14.655 1.00 31.76 O ATOM 2261 CB THR B 112 33.266 31.304 17.326 1.00 35.26 C ATOM 2262 OG1 THR B 112 32.224 30.982 18.260 1.00 41.56 O ATOM 2263 CG2 THR B 112 33.014 32.685 16.743 0.10 36.08 C ATOM 0 H THR B 112 34.514 31.318 15.055 1.00 33.86 H new ATOM 0 HA THR B 112 33.470 29.359 16.580 1.00 33.40 H new ATOM 0 HB THR B 112 34.122 31.307 17.782 1.00 35.26 H new ATOM 0 HG1 THR B 112 32.204 31.561 18.868 1.00 41.56 H new ATOM 0 HG21 THR B 112 32.988 33.339 17.459 0.10 36.08 H new ATOM 0 HG22 THR B 112 33.727 32.911 16.126 0.10 36.08 H new ATOM 0 HG23 THR B 112 32.166 32.688 16.272 0.10 36.08 H new ATOM 2264 N THR B 113 31.156 29.202 15.822 1.00 29.92 N ATOM 2265 CA THR B 113 29.830 29.053 15.241 1.00 29.05 C ATOM 2266 C THR B 113 28.858 28.776 16.370 1.00 29.14 C ATOM 2267 O THR B 113 29.150 27.969 17.252 1.00 29.73 O ATOM 2268 CB THR B 113 29.736 27.847 14.282 1.00 29.99 C ATOM 2269 OG1 THR B 113 30.726 27.958 13.256 1.00 30.95 O ATOM 2270 CG2 THR B 113 28.349 27.786 13.640 1.00 27.08 C ATOM 0 H THR B 113 31.364 28.591 16.390 1.00 29.92 H new ATOM 0 HA THR B 113 29.633 29.865 14.748 1.00 29.05 H new ATOM 0 HB THR B 113 29.888 27.036 14.793 1.00 29.99 H new ATOM 0 HG1 THR B 113 31.437 27.592 13.512 1.00 30.95 H new ATOM 0 HG21 THR B 113 28.303 27.025 13.040 1.00 27.08 H new ATOM 0 HG22 THR B 113 27.676 27.693 14.332 1.00 27.08 H new ATOM 0 HG23 THR B 113 28.188 28.601 13.140 1.00 27.08 H new ATOM 2271 N GLU B 114 27.708 29.438 16.351 1.00 27.66 N ATOM 2272 CA GLU B 114 26.709 29.177 17.374 1.00 27.75 C ATOM 2273 C GLU B 114 25.520 28.516 16.696 1.00 28.22 C ATOM 2274 O GLU B 114 25.106 28.913 15.601 1.00 27.13 O ATOM 2275 CB GLU B 114 26.323 30.466 18.096 1.00 29.42 C ATOM 2276 CG GLU B 114 27.542 30.998 18.924 1.00 32.36 C ATOM 2277 CD GLU B 114 27.184 32.008 19.988 1.00 32.08 C ATOM 2278 OE1 GLU B 114 26.067 31.942 20.537 1.00 31.67 O ATOM 2279 OE2 GLU B 114 28.046 32.864 20.293 1.00 35.29 O ATOM 0 H GLU B 114 27.490 30.030 15.767 1.00 27.66 H new ATOM 0 HA GLU B 114 27.060 28.583 18.056 1.00 27.75 H new ATOM 0 HB2 GLU B 114 26.042 31.135 17.452 1.00 29.42 H new ATOM 0 HB3 GLU B 114 25.569 30.304 18.684 1.00 29.42 H new ATOM 0 HG2 GLU B 114 27.986 30.245 19.345 1.00 32.36 H new ATOM 0 HG3 GLU B 114 28.181 31.400 18.315 1.00 32.36 H new ATOM 2280 N LEU B 115 25.010 27.471 17.334 1.00 26.41 N ATOM 2281 CA LEU B 115 23.893 26.714 16.791 1.00 27.41 C ATOM 2282 C LEU B 115 22.766 26.573 17.791 1.00 28.59 C ATOM 2283 O LEU B 115 22.985 26.609 19.000 1.00 28.36 O ATOM 2284 CB LEU B 115 24.363 25.317 16.368 1.00 27.58 C ATOM 2285 CG LEU B 115 25.502 25.270 15.340 1.00 29.45 C ATOM 2286 CD1 LEU B 115 26.824 25.003 16.056 1.00 32.46 C ATOM 2287 CD2 LEU B 115 25.238 24.170 14.325 1.00 30.31 C ATOM 0 H LEU B 115 25.300 27.182 18.090 1.00 26.41 H new ATOM 0 HA LEU B 115 23.559 27.204 16.023 1.00 27.41 H new ATOM 0 HB2 LEU B 115 24.648 24.838 17.162 1.00 27.58 H new ATOM 0 HB3 LEU B 115 23.603 24.836 16.004 1.00 27.58 H new ATOM 0 HG LEU B 115 25.551 26.122 14.878 1.00 29.45 H new ATOM 0 HD11 LEU B 115 27.544 24.973 15.406 1.00 32.46 H new ATOM 0 HD12 LEU B 115 26.995 25.712 16.695 1.00 32.46 H new ATOM 0 HD13 LEU B 115 26.774 24.154 16.522 1.00 32.46 H new ATOM 0 HD21 LEU B 115 25.961 24.146 13.679 1.00 30.31 H new ATOM 0 HD22 LEU B 115 25.183 23.315 14.781 1.00 30.31 H new ATOM 0 HD23 LEU B 115 24.401 24.346 13.867 1.00 30.31 H new ATOM 2288 N THR B 116 21.551 26.436 17.272 1.00 27.88 N ATOM 2289 CA THR B 116 20.379 26.246 18.113 1.00 28.28 C ATOM 2290 C THR B 116 19.699 24.999 17.571 1.00 26.68 C ATOM 2291 O THR B 116 19.822 24.682 16.386 1.00 27.94 O ATOM 2292 CB THR B 116 19.408 27.431 18.026 1.00 27.83 C ATOM 2293 OG1 THR B 116 19.021 27.633 16.660 1.00 28.78 O ATOM 2294 CG2 THR B 116 20.065 28.693 18.585 1.00 27.71 C ATOM 0 H THR B 116 21.385 26.451 16.428 1.00 27.88 H new ATOM 0 HA THR B 116 20.637 26.168 19.045 1.00 28.28 H new ATOM 0 HB THR B 116 18.618 27.237 18.554 1.00 27.83 H new ATOM 0 HG1 THR B 116 18.308 28.077 16.633 1.00 28.78 H new ATOM 0 HG21 THR B 116 19.443 29.435 18.525 1.00 27.71 H new ATOM 0 HG22 THR B 116 20.307 28.548 19.513 1.00 27.71 H new ATOM 0 HG23 THR B 116 20.862 28.897 18.072 1.00 27.71 H new ATOM 2295 N GLY B 117 19.001 24.276 18.432 1.00 25.31 N ATOM 2296 CA GLY B 117 18.349 23.067 17.971 1.00 25.06 C ATOM 2297 C GLY B 117 17.116 22.690 18.765 1.00 27.21 C ATOM 2298 O GLY B 117 16.971 23.054 19.929 1.00 26.44 O ATOM 0 H GLY B 117 18.895 24.462 19.265 1.00 25.31 H new ATOM 0 HA2 GLY B 117 18.101 23.179 17.040 1.00 25.06 H new ATOM 0 HA3 GLY B 117 18.983 22.334 18.009 1.00 25.06 H new ATOM 2299 N LEU B 118 16.205 21.988 18.104 1.00 26.20 N ATOM 2300 CA LEU B 118 14.988 21.516 18.745 1.00 27.83 C ATOM 2301 C LEU B 118 14.931 20.035 18.437 1.00 26.39 C ATOM 2302 O LEU B 118 15.023 19.638 17.273 1.00 25.63 O ATOM 2303 CB LEU B 118 13.746 22.211 18.173 1.00 27.70 C ATOM 2304 CG LEU B 118 12.419 21.533 18.526 1.00 29.70 C ATOM 2305 CD1 LEU B 118 12.165 21.581 20.024 1.00 29.40 C ATOM 2306 CD2 LEU B 118 11.298 22.226 17.759 1.00 31.82 C ATOM 0 H LEU B 118 16.275 21.773 17.274 1.00 26.20 H new ATOM 0 HA LEU B 118 14.998 21.704 19.697 1.00 27.83 H new ATOM 0 HB2 LEU B 118 13.724 23.126 18.495 1.00 27.70 H new ATOM 0 HB3 LEU B 118 13.828 22.252 17.207 1.00 27.70 H new ATOM 0 HG LEU B 118 12.455 20.597 18.272 1.00 29.70 H new ATOM 0 HD11 LEU B 118 11.321 21.147 20.223 1.00 29.40 H new ATOM 0 HD12 LEU B 118 12.882 21.122 20.489 1.00 29.40 H new ATOM 0 HD13 LEU B 118 12.130 22.505 20.317 1.00 29.40 H new ATOM 0 HD21 LEU B 118 10.451 21.806 17.974 1.00 31.82 H new ATOM 0 HD22 LEU B 118 11.266 23.163 18.008 1.00 31.82 H new ATOM 0 HD23 LEU B 118 11.463 22.151 16.806 1.00 31.82 H new ATOM 2307 N PHE B 119 14.796 19.228 19.488 1.00 26.77 N ATOM 2308 CA PHE B 119 14.732 17.776 19.357 1.00 27.86 C ATOM 2309 C PHE B 119 13.518 17.261 20.101 1.00 27.72 C ATOM 2310 O PHE B 119 13.115 17.822 21.126 1.00 28.96 O ATOM 2311 CB PHE B 119 15.991 17.129 19.942 1.00 25.91 C ATOM 2312 CG PHE B 119 17.260 17.757 19.456 1.00 27.33 C ATOM 2313 CD1 PHE B 119 17.775 18.887 20.080 1.00 28.47 C ATOM 2314 CD2 PHE B 119 17.924 17.237 18.350 1.00 26.99 C ATOM 2315 CE1 PHE B 119 18.928 19.505 19.596 1.00 29.91 C ATOM 2316 CE2 PHE B 119 19.078 17.849 17.858 1.00 28.13 C ATOM 2317 CZ PHE B 119 19.583 18.981 18.491 1.00 28.15 C ATOM 0 H PHE B 119 14.739 19.509 20.299 1.00 26.77 H new ATOM 0 HA PHE B 119 14.669 17.549 18.416 1.00 27.86 H new ATOM 0 HB2 PHE B 119 15.958 17.189 20.910 1.00 25.91 H new ATOM 0 HB3 PHE B 119 15.997 16.186 19.716 1.00 25.91 H new ATOM 0 HD1 PHE B 119 17.346 19.235 20.828 1.00 28.47 H new ATOM 0 HD2 PHE B 119 17.595 16.473 17.934 1.00 26.99 H new ATOM 0 HE1 PHE B 119 19.257 20.268 20.014 1.00 29.91 H new ATOM 0 HE2 PHE B 119 19.508 17.502 17.110 1.00 28.13 H new ATOM 0 HZ PHE B 119 20.358 19.385 18.174 1.00 28.15 H new ATOM 2318 N AVAL B 120 12.934 16.184 19.585 0.66 29.09 N ATOM 2319 N BVAL B 120 12.935 16.183 19.593 0.47 29.37 N ATOM 2320 CA AVAL B 120 11.752 15.591 20.192 0.66 29.35 C ATOM 2321 CA BVAL B 120 11.762 15.599 20.219 0.47 30.14 C ATOM 2322 C AVAL B 120 11.995 14.116 20.498 0.66 31.03 C ATOM 2323 C BVAL B 120 11.998 14.123 20.503 0.47 31.12 C ATOM 2324 O AVAL B 120 12.688 13.422 19.754 0.66 30.87 O ATOM 2325 O BVAL B 120 12.689 13.435 19.752 0.47 31.03 O ATOM 2326 CB AVAL B 120 10.524 15.725 19.249 0.66 30.08 C ATOM 2327 CB BVAL B 120 10.521 15.772 19.314 0.47 31.27 C ATOM 2328 CG1AVAL B 120 10.789 14.998 17.939 0.66 26.36 C ATOM 2329 CG1BVAL B 120 9.321 15.051 19.911 0.47 34.56 C ATOM 2330 CG2AVAL B 120 9.275 15.173 19.920 0.66 34.02 C ATOM 2331 CG2BVAL B 120 10.216 17.253 19.151 0.47 30.78 C ATOM 0 H AVAL B 120 13.211 15.780 18.878 0.66 29.37 H new ATOM 0 H BVAL B 120 13.205 15.775 18.885 0.47 29.37 H new ATOM 0 HA AVAL B 120 11.570 16.065 21.018 0.66 30.14 H new ATOM 0 HA BVAL B 120 11.600 16.060 21.057 0.47 30.14 H new ATOM 0 HB AVAL B 120 10.379 16.665 19.060 0.66 31.27 H new ATOM 0 HB BVAL B 120 10.707 15.384 18.444 0.47 31.27 H new ATOM 0 HG11AVAL B 120 10.018 15.087 17.357 0.66 34.56 H new ATOM 0 HG11BVAL B 120 8.552 15.169 19.332 0.47 34.56 H new ATOM 0 HG12AVAL B 120 11.566 15.384 17.506 0.66 34.56 H new ATOM 0 HG12BVAL B 120 9.520 14.105 19.995 0.47 34.56 H new ATOM 0 HG13AVAL B 120 10.952 14.059 18.117 0.66 34.56 H new ATOM 0 HG13BVAL B 120 9.125 15.419 20.787 0.47 34.56 H new ATOM 0 HG21AVAL B 120 8.518 15.264 19.320 0.66 30.78 H new ATOM 0 HG21BVAL B 120 9.437 17.363 18.583 0.47 30.78 H new ATOM 0 HG22AVAL B 120 9.409 14.236 20.132 0.66 30.78 H new ATOM 0 HG22BVAL B 120 10.039 17.645 20.021 0.47 30.78 H new ATOM 0 HG23AVAL B 120 9.101 15.667 20.736 0.66 30.78 H new ATOM 0 HG23BVAL B 120 10.977 17.697 18.745 0.47 30.78 H new ATOM 2332 N LYS B 121 11.430 13.643 21.602 1.00 30.15 N ATOM 2333 CA LYS B 121 11.586 12.256 21.983 1.00 31.41 C ATOM 2334 C LYS B 121 10.438 11.405 21.460 1.00 31.82 C ATOM 2335 O LYS B 121 9.292 11.854 21.393 1.00 32.64 O ATOM 2336 CB LYS B 121 11.655 12.122 23.506 1.00 32.65 C ATOM 2337 CG LYS B 121 11.833 10.656 23.945 1.00 33.74 C ATOM 2338 CD LYS B 121 11.847 10.483 25.427 1.00 38.49 C ATOM 2339 CE LYS B 121 12.027 8.983 25.769 1.00 37.13 C ATOM 2340 NZ LYS B 121 12.012 8.749 27.232 1.00 42.86 N ATOM 0 H ALYS B 121 10.953 14.113 22.142 0.66 30.15 H new ATOM 0 H BLYS B 121 10.949 14.110 22.140 0.47 30.15 H new ATOM 0 HA LYS B 121 12.414 11.940 21.590 1.00 31.41 H new ATOM 0 HB2 LYS B 121 12.393 12.653 23.844 1.00 32.65 H new ATOM 0 HB3 LYS B 121 10.844 12.481 23.899 1.00 32.65 H new ATOM 0 HG2 LYS B 121 11.115 10.123 23.570 1.00 33.74 H new ATOM 0 HG3 LYS B 121 12.663 10.313 23.577 1.00 33.74 H new ATOM 0 HD2 LYS B 121 12.568 11.002 25.816 1.00 38.49 H new ATOM 0 HD3 LYS B 121 11.020 10.815 25.809 1.00 38.49 H new ATOM 0 HE2 LYS B 121 11.319 8.468 25.351 1.00 37.13 H new ATOM 0 HE3 LYS B 121 12.865 8.665 25.399 1.00 37.13 H new ATOM 0 HZ1 LYS B 121 11.942 7.876 27.393 1.00 42.86 H new ATOM 0 HZ2 LYS B 121 12.767 9.056 27.590 1.00 42.86 H new ATOM 0 HZ3 LYS B 121 11.318 9.173 27.594 1.00 42.86 H new ATOM 2341 N LEU B 122 10.762 10.178 21.072 1.00 31.96 N ATOM 2342 CA LEU B 122 9.762 9.239 20.598 1.00 35.04 C ATOM 2343 C LEU B 122 9.409 8.413 21.817 1.00 34.58 C ATOM 2344 O LEU B 122 10.239 7.660 22.321 1.00 34.91 O ATOM 2345 CB LEU B 122 10.329 8.332 19.506 1.00 36.43 C ATOM 2346 CG LEU B 122 10.125 8.784 18.059 1.00 40.35 C ATOM 2347 CD1 LEU B 122 10.760 10.150 17.848 1.00 42.32 C ATOM 2348 CD2 LEU B 122 10.727 7.753 17.114 1.00 38.87 C ATOM 0 H LEU B 122 11.565 9.869 21.077 1.00 31.96 H new ATOM 0 HA LEU B 122 8.997 9.694 20.212 1.00 35.04 H new ATOM 0 HB2 LEU B 122 11.281 8.232 19.660 1.00 36.43 H new ATOM 0 HB3 LEU B 122 9.932 7.453 19.607 1.00 36.43 H new ATOM 0 HG LEU B 122 9.176 8.859 17.872 1.00 40.35 H new ATOM 0 HD11 LEU B 122 10.627 10.430 16.929 1.00 42.32 H new ATOM 0 HD12 LEU B 122 10.348 10.794 18.445 1.00 42.32 H new ATOM 0 HD13 LEU B 122 11.710 10.098 18.035 1.00 42.32 H new ATOM 0 HD21 LEU B 122 10.597 8.040 16.197 1.00 38.87 H new ATOM 0 HD22 LEU B 122 11.676 7.664 17.294 1.00 38.87 H new ATOM 0 HD23 LEU B 122 10.292 6.897 17.249 1.00 38.87 H new ATOM 2349 N ASN B 123 8.182 8.574 22.300 1.00 35.06 N ATOM 2350 CA ASN B 123 7.730 7.852 23.477 1.00 38.50 C ATOM 2351 C ASN B 123 6.792 6.703 23.161 1.00 40.27 C ATOM 2352 O ASN B 123 5.773 6.882 22.494 1.00 40.82 O ATOM 2353 CB ASN B 123 7.030 8.806 24.446 1.00 42.87 C ATOM 2354 CG ASN B 123 7.936 9.265 25.565 1.00 46.25 C ATOM 2355 OD1 ASN B 123 8.420 8.455 26.357 1.00 51.60 O ATOM 2356 ND2 ASN B 123 8.170 10.567 25.639 1.00 48.16 N ATOM 0 H ASN B 123 7.595 9.100 21.957 1.00 35.06 H new ATOM 0 HA ASN B 123 8.528 7.473 23.878 1.00 38.50 H new ATOM 0 HB2 ASN B 123 6.708 9.579 23.957 1.00 42.87 H new ATOM 0 HB3 ASN B 123 6.253 8.365 24.824 1.00 42.87 H new ATOM 0 HD21 ASN B 123 8.678 10.878 26.259 1.00 48.16 H new ATOM 0 HD22 ASN B 123 7.813 11.101 25.067 1.00 48.16 H new ATOM 2357 N VAL B 124 7.152 5.522 23.649 1.00 40.00 N ATOM 2358 CA VAL B 124 6.342 4.327 23.468 1.00 42.90 C ATOM 2359 C VAL B 124 5.889 3.899 24.860 1.00 42.98 C ATOM 2360 O VAL B 124 6.702 3.481 25.685 1.00 43.20 O ATOM 2361 CB VAL B 124 7.150 3.192 22.799 1.00 43.60 C ATOM 2362 CG1 VAL B 124 7.474 3.572 21.362 1.00 44.06 C ATOM 2363 CG2 VAL B 124 8.438 2.937 23.567 1.00 47.10 C ATOM 0 H VAL B 124 7.875 5.392 24.096 1.00 40.00 H new ATOM 0 HA VAL B 124 5.589 4.513 22.886 1.00 42.90 H new ATOM 0 HB VAL B 124 6.617 2.382 22.806 1.00 43.60 H new ATOM 0 HG11 VAL B 124 7.981 2.858 20.945 1.00 44.06 H new ATOM 0 HG12 VAL B 124 6.650 3.713 20.871 1.00 44.06 H new ATOM 0 HG13 VAL B 124 7.998 4.388 21.353 1.00 44.06 H new ATOM 0 HG21 VAL B 124 8.935 2.223 23.137 1.00 47.10 H new ATOM 0 HG22 VAL B 124 8.975 3.745 23.576 1.00 47.10 H new ATOM 0 HG23 VAL B 124 8.226 2.680 24.478 1.00 47.10 H new ATOM 2364 N GLU B 125 4.590 4.037 25.115 1.00 44.18 N ATOM 2365 CA GLU B 125 3.994 3.696 26.406 1.00 45.32 C ATOM 2366 C GLU B 125 3.727 2.205 26.603 1.00 44.28 C ATOM 2367 O GLU B 125 3.441 1.479 25.652 1.00 41.30 O ATOM 2368 CB GLU B 125 2.685 4.465 26.593 1.00 48.37 C ATOM 2369 CG GLU B 125 2.743 5.592 27.630 1.00 55.82 C ATOM 2370 CD GLU B 125 3.680 6.711 27.232 1.00 58.54 C ATOM 2371 OE1 GLU B 125 3.490 7.289 26.141 1.00 61.59 O ATOM 2372 OE2 GLU B 125 4.601 7.016 28.015 1.00 59.96 O ATOM 0 H GLU B 125 4.025 4.334 24.539 1.00 44.18 H new ATOM 0 HA GLU B 125 4.651 3.949 27.073 1.00 45.32 H new ATOM 0 HB2 GLU B 125 2.421 4.842 25.739 1.00 48.37 H new ATOM 0 HB3 GLU B 125 1.991 3.839 26.853 1.00 48.37 H new ATOM 0 HG2 GLU B 125 1.852 5.953 27.759 1.00 55.82 H new ATOM 0 HG3 GLU B 125 3.027 5.227 28.482 1.00 55.82 H new ATOM 2373 N ASP B 126 3.806 1.767 27.858 1.00 44.32 N ATOM 2374 CA ASP B 126 3.584 0.374 28.223 1.00 43.77 C ATOM 2375 C ASP B 126 2.251 -0.192 27.746 1.00 42.77 C ATOM 2376 O ASP B 126 2.214 -1.247 27.118 1.00 42.07 O ATOM 2377 CB ASP B 126 3.672 0.210 29.745 1.00 46.73 C ATOM 2378 CG ASP B 126 5.090 0.322 30.269 1.00 49.71 C ATOM 2379 OD1 ASP B 126 5.259 0.392 31.505 0.50 49.57 O ATOM 2380 OD2 ASP B 126 6.035 0.332 29.451 0.50 49.32 O ATOM 0 H ASP B 126 3.992 2.276 28.526 1.00 44.32 H new ATOM 0 HA ASP B 126 4.281 -0.128 27.772 1.00 43.77 H new ATOM 0 HB2 ASP B 126 3.120 0.885 30.171 1.00 46.73 H new ATOM 0 HB3 ASP B 126 3.307 -0.653 29.994 1.00 46.73 H new ATOM 2381 N GLU B 127 1.155 0.499 28.046 1.00 43.75 N ATOM 2382 CA GLU B 127 -0.155 -0.003 27.646 1.00 44.38 C ATOM 2383 C GLU B 127 -0.343 -0.090 26.139 1.00 44.14 C ATOM 2384 O GLU B 127 -1.097 -0.933 25.653 1.00 44.64 O ATOM 2385 CB GLU B 127 -1.283 0.834 28.259 1.00 44.38 C ATOM 2386 CG GLU B 127 -1.322 2.295 27.864 1.00 45.96 C ATOM 2387 CD GLU B 127 -2.643 2.942 28.240 0.10 45.65 C ATOM 2388 OE1 GLU B 127 -2.711 4.188 28.285 0.10 45.99 O ATOM 2389 OE2 GLU B 127 -3.619 2.200 28.482 0.10 45.63 O ATOM 0 H GLU B 127 1.147 1.246 28.472 1.00 43.75 H new ATOM 0 HA GLU B 127 -0.197 -0.909 27.990 1.00 44.38 H new ATOM 0 HB2 GLU B 127 -2.130 0.429 28.015 1.00 44.38 H new ATOM 0 HB3 GLU B 127 -1.211 0.781 29.225 1.00 44.38 H new ATOM 0 HG2 GLU B 127 -0.595 2.768 28.298 1.00 45.96 H new ATOM 0 HG3 GLU B 127 -1.182 2.376 26.908 1.00 45.96 H new ATOM 2390 N ASP B 128 0.335 0.776 25.394 1.00 43.91 N ATOM 2391 CA ASP B 128 0.214 0.734 23.946 1.00 42.80 C ATOM 2392 C ASP B 128 0.937 -0.507 23.437 1.00 40.80 C ATOM 2393 O ASP B 128 0.457 -1.191 22.529 1.00 39.87 O ATOM 2394 CB ASP B 128 0.791 2.006 23.327 1.00 45.87 C ATOM 2395 CG ASP B 128 0.092 3.259 23.831 1.00 49.01 C ATOM 2396 OD1 ASP B 128 -1.153 3.242 23.942 1.00 50.20 O ATOM 2397 OD2 ASP B 128 0.782 4.261 24.109 1.00 50.75 O ATOM 0 H ASP B 128 0.860 1.384 25.701 1.00 43.91 H new ATOM 0 HA ASP B 128 -0.720 0.687 23.689 1.00 42.80 H new ATOM 0 HB2 ASP B 128 1.738 2.062 23.530 1.00 45.87 H new ATOM 0 HB3 ASP B 128 0.711 1.959 22.361 1.00 45.87 H new ATOM 2398 N LEU B 129 2.087 -0.803 24.034 1.00 38.59 N ATOM 2399 CA LEU B 129 2.847 -1.988 23.664 1.00 39.31 C ATOM 2400 C LEU B 129 2.028 -3.234 23.978 1.00 38.35 C ATOM 2401 O LEU B 129 2.003 -4.184 23.199 1.00 37.91 O ATOM 2402 CB LEU B 129 4.165 -2.055 24.443 1.00 41.66 C ATOM 2403 CG LEU B 129 5.362 -1.257 23.928 1.00 44.41 C ATOM 2404 CD1 LEU B 129 6.503 -1.366 24.931 1.00 46.90 C ATOM 2405 CD2 LEU B 129 5.791 -1.787 22.568 1.00 45.60 C ATOM 0 H LEU B 129 2.444 -0.329 24.657 1.00 38.59 H new ATOM 0 HA LEU B 129 3.043 -1.942 22.715 1.00 39.31 H new ATOM 0 HB2 LEU B 129 3.986 -1.764 25.351 1.00 41.66 H new ATOM 0 HB3 LEU B 129 4.431 -2.987 24.492 1.00 41.66 H new ATOM 0 HG LEU B 129 5.117 -0.324 23.827 1.00 44.41 H new ATOM 0 HD11 LEU B 129 7.266 -0.861 24.609 1.00 46.90 H new ATOM 0 HD12 LEU B 129 6.217 -1.009 25.787 1.00 46.90 H new ATOM 0 HD13 LEU B 129 6.753 -2.297 25.037 1.00 46.90 H new ATOM 0 HD21 LEU B 129 6.551 -1.277 22.247 1.00 45.60 H new ATOM 0 HD22 LEU B 129 6.040 -2.721 22.648 1.00 45.60 H new ATOM 0 HD23 LEU B 129 5.056 -1.702 21.941 1.00 45.60 H new ATOM 2406 N GLU B 130 1.360 -3.231 25.128 1.00 37.98 N ATOM 2407 CA GLU B 130 0.557 -4.383 25.519 1.00 38.82 C ATOM 2408 C GLU B 130 -0.616 -4.584 24.574 1.00 36.85 C ATOM 2409 O GLU B 130 -0.951 -5.717 24.236 1.00 35.46 O ATOM 2410 CB GLU B 130 0.045 -4.234 26.952 1.00 41.97 C ATOM 2411 CG GLU B 130 -0.782 -5.435 27.421 1.00 49.15 C ATOM 2412 CD GLU B 130 -0.054 -6.757 27.226 1.00 52.18 C ATOM 2413 OE1 GLU B 130 1.003 -6.957 27.865 1.00 54.33 O ATOM 2414 OE2 GLU B 130 -0.537 -7.596 26.430 1.00 53.87 O ATOM 0 H GLU B 130 1.358 -2.580 25.690 1.00 37.98 H new ATOM 0 HA GLU B 130 1.131 -5.163 25.470 1.00 38.82 H new ATOM 0 HB2 GLU B 130 0.800 -4.115 27.549 1.00 41.97 H new ATOM 0 HB3 GLU B 130 -0.496 -3.431 27.015 1.00 41.97 H new ATOM 0 HG2 GLU B 130 -1.002 -5.326 28.359 1.00 49.15 H new ATOM 0 HG3 GLU B 130 -1.621 -5.456 26.934 1.00 49.15 H new ATOM 2415 N LYS B 131 -1.244 -3.489 24.153 1.00 36.06 N ATOM 2416 CA LYS B 131 -2.364 -3.586 23.226 1.00 36.51 C ATOM 2417 C LYS B 131 -1.873 -4.190 21.918 1.00 35.16 C ATOM 2418 O LYS B 131 -2.563 -5.001 21.307 1.00 32.25 O ATOM 2419 CB LYS B 131 -2.974 -2.208 22.963 1.00 38.74 C ATOM 2420 CG LYS B 131 -3.655 -1.580 24.195 1.00 44.77 C ATOM 2421 CD LYS B 131 -3.944 -0.084 23.966 1.00 48.46 C ATOM 2422 CE LYS B 131 -4.614 0.548 25.192 1.00 50.92 C ATOM 2423 NZ LYS B 131 -4.516 2.036 25.158 1.00 52.86 N ATOM 0 H LYS B 131 -1.039 -2.688 24.390 1.00 36.06 H new ATOM 0 HA LYS B 131 -3.049 -4.151 23.617 1.00 36.51 H new ATOM 0 HB2 LYS B 131 -2.277 -1.610 22.650 1.00 38.74 H new ATOM 0 HB3 LYS B 131 -3.625 -2.284 22.248 1.00 38.74 H new ATOM 0 HG2 LYS B 131 -4.484 -2.047 24.384 1.00 44.77 H new ATOM 0 HG3 LYS B 131 -3.086 -1.687 24.973 1.00 44.77 H new ATOM 0 HD2 LYS B 131 -3.116 0.382 23.772 1.00 48.46 H new ATOM 0 HD3 LYS B 131 -4.517 0.022 23.191 1.00 48.46 H new ATOM 0 HE2 LYS B 131 -5.547 0.284 25.225 1.00 50.92 H new ATOM 0 HE3 LYS B 131 -4.196 0.213 26.000 1.00 50.92 H new ATOM 0 HZ1 LYS B 131 -4.912 2.376 25.879 1.00 52.86 H new ATOM 0 HZ2 LYS B 131 -3.659 2.277 25.148 1.00 52.86 H new ATOM 0 HZ3 LYS B 131 -4.918 2.344 24.426 1.00 52.86 H new ATOM 2424 N PHE B 132 -0.679 -3.790 21.487 1.00 33.61 N ATOM 2425 CA PHE B 132 -0.117 -4.324 20.251 1.00 32.48 C ATOM 2426 C PHE B 132 0.159 -5.819 20.363 1.00 31.58 C ATOM 2427 O PHE B 132 -0.183 -6.586 19.470 1.00 30.49 O ATOM 2428 CB PHE B 132 1.192 -3.618 19.884 1.00 32.22 C ATOM 2429 CG PHE B 132 1.961 -4.323 18.802 1.00 31.84 C ATOM 2430 CD1 PHE B 132 1.518 -4.296 17.479 1.00 31.56 C ATOM 2431 CD2 PHE B 132 3.091 -5.072 19.116 1.00 31.04 C ATOM 2432 CE1 PHE B 132 2.192 -5.012 16.484 1.00 32.02 C ATOM 2433 CE2 PHE B 132 3.775 -5.794 18.131 1.00 31.28 C ATOM 2434 CZ PHE B 132 3.325 -5.764 16.812 1.00 30.18 C ATOM 0 H PHE B 132 -0.183 -3.216 21.892 1.00 33.61 H new ATOM 0 HA PHE B 132 -0.778 -4.168 19.559 1.00 32.48 H new ATOM 0 HB2 PHE B 132 0.995 -2.713 19.596 1.00 32.22 H new ATOM 0 HB3 PHE B 132 1.748 -3.549 20.676 1.00 32.22 H new ATOM 0 HD1 PHE B 132 0.766 -3.796 17.256 1.00 31.56 H new ATOM 0 HD2 PHE B 132 3.397 -5.093 19.994 1.00 31.04 H new ATOM 0 HE1 PHE B 132 1.887 -4.988 15.606 1.00 32.02 H new ATOM 0 HE2 PHE B 132 4.527 -6.292 18.356 1.00 31.28 H new ATOM 0 HZ PHE B 132 3.776 -6.242 16.153 1.00 30.18 H new ATOM 2435 N TRP B 133 0.789 -6.240 21.456 1.00 31.48 N ATOM 2436 CA TRP B 133 1.092 -7.652 21.610 1.00 33.24 C ATOM 2437 C TRP B 133 -0.154 -8.523 21.758 1.00 31.92 C ATOM 2438 O TRP B 133 -0.174 -9.650 21.273 1.00 32.15 O ATOM 2439 CB TRP B 133 2.056 -7.870 22.776 1.00 33.92 C ATOM 2440 CG TRP B 133 3.466 -7.465 22.436 1.00 36.38 C ATOM 2441 CD1 TRP B 133 4.172 -6.423 22.965 1.00 37.71 C ATOM 2442 CD2 TRP B 133 4.326 -8.083 21.468 1.00 35.14 C ATOM 2443 NE1 TRP B 133 5.418 -6.353 22.386 1.00 37.24 N ATOM 2444 CE2 TRP B 133 5.539 -7.356 21.465 1.00 37.12 C ATOM 2445 CE3 TRP B 133 4.187 -9.173 20.604 1.00 36.38 C ATOM 2446 CZ2 TRP B 133 6.612 -7.695 20.629 1.00 36.09 C ATOM 2447 CZ3 TRP B 133 5.256 -9.509 19.771 1.00 38.60 C ATOM 2448 CH2 TRP B 133 6.451 -8.767 19.793 1.00 35.50 C ATOM 0 H TRP B 133 1.043 -5.735 22.104 1.00 31.48 H new ATOM 0 HA TRP B 133 1.522 -7.935 20.788 1.00 33.24 H new ATOM 0 HB2 TRP B 133 1.752 -7.361 23.544 1.00 33.92 H new ATOM 0 HB3 TRP B 133 2.043 -8.805 23.033 1.00 33.92 H new ATOM 0 HD1 TRP B 133 3.856 -5.845 23.621 1.00 37.71 H new ATOM 0 HE1 TRP B 133 6.023 -5.772 22.573 1.00 37.24 H new ATOM 0 HE3 TRP B 133 3.398 -9.665 20.584 1.00 36.38 H new ATOM 0 HZ2 TRP B 133 7.405 -7.209 20.642 1.00 36.09 H new ATOM 0 HZ3 TRP B 133 5.177 -10.234 19.193 1.00 38.60 H new ATOM 0 HH2 TRP B 133 7.147 -9.010 19.227 1.00 35.50 H new ATOM 2449 N LYS B 134 -1.190 -7.998 22.409 1.00 33.12 N ATOM 2450 CA LYS B 134 -2.441 -8.744 22.585 1.00 32.93 C ATOM 2451 C LYS B 134 -3.102 -8.959 21.224 1.00 33.15 C ATOM 2452 O LYS B 134 -3.537 -10.067 20.896 1.00 32.56 O ATOM 2453 CB LYS B 134 -3.387 -7.967 23.512 1.00 33.97 C ATOM 2454 CG LYS B 134 -4.802 -8.623 23.800 1.00 34.64 C ATOM 2455 CD LYS B 134 -4.693 -10.083 24.232 1.00 37.00 C ATOM 2456 CE LYS B 134 -6.098 -10.719 24.554 1.00 36.83 C ATOM 2457 NZ LYS B 134 -7.136 -10.569 23.497 1.00 38.02 N ATOM 0 H LYS B 134 -1.192 -7.212 22.757 1.00 33.12 H new ATOM 0 HA LYS B 134 -2.248 -9.606 22.986 1.00 32.93 H new ATOM 0 HB2 LYS B 134 -2.937 -7.834 24.361 1.00 33.97 H new ATOM 0 HB3 LYS B 134 -3.533 -7.089 23.128 1.00 33.97 H new ATOM 0 HG2 LYS B 134 -5.255 -8.117 24.493 1.00 34.64 H new ATOM 0 HG3 LYS B 134 -5.350 -8.565 23.002 1.00 34.64 H new ATOM 0 HD2 LYS B 134 -4.262 -10.595 23.529 1.00 37.00 H new ATOM 0 HD3 LYS B 134 -4.125 -10.144 25.016 1.00 37.00 H new ATOM 0 HE2 LYS B 134 -5.973 -11.665 24.729 1.00 36.83 H new ATOM 0 HE3 LYS B 134 -6.434 -10.321 25.372 1.00 36.83 H new ATOM 0 HZ1 LYS B 134 -7.933 -10.783 23.831 1.00 38.02 H new ATOM 0 HZ2 LYS B 134 -7.151 -9.726 23.212 1.00 38.02 H new ATOM 0 HZ3 LYS B 134 -6.946 -11.108 22.815 1.00 38.02 H new ATOM 2458 N LEU B 135 -3.172 -7.894 20.429 1.00 32.97 N ATOM 2459 CA LEU B 135 -3.767 -7.977 19.101 1.00 31.49 C ATOM 2460 C LEU B 135 -2.966 -8.941 18.239 1.00 31.84 C ATOM 2461 O LEU B 135 -3.520 -9.699 17.441 1.00 31.27 O ATOM 2462 CB LEU B 135 -3.778 -6.596 18.429 1.00 31.38 C ATOM 2463 CG LEU B 135 -4.204 -6.546 16.957 1.00 32.07 C ATOM 2464 CD1 LEU B 135 -5.667 -6.951 16.826 1.00 33.74 C ATOM 2465 CD2 LEU B 135 -3.989 -5.138 16.404 1.00 31.86 C ATOM 0 H LEU B 135 -2.880 -7.114 20.642 1.00 32.97 H new ATOM 0 HA LEU B 135 -4.679 -8.294 19.193 1.00 31.49 H new ATOM 0 HB2 LEU B 135 -4.371 -6.018 18.935 1.00 31.38 H new ATOM 0 HB3 LEU B 135 -2.887 -6.219 18.499 1.00 31.38 H new ATOM 0 HG LEU B 135 -3.663 -7.168 16.446 1.00 32.07 H new ATOM 0 HD11 LEU B 135 -5.930 -6.917 15.893 1.00 33.74 H new ATOM 0 HD12 LEU B 135 -5.785 -7.853 17.162 1.00 33.74 H new ATOM 0 HD13 LEU B 135 -6.219 -6.341 17.339 1.00 33.74 H new ATOM 0 HD21 LEU B 135 -4.260 -5.111 15.473 1.00 31.86 H new ATOM 0 HD22 LEU B 135 -4.520 -4.506 16.913 1.00 31.86 H new ATOM 0 HD23 LEU B 135 -3.051 -4.902 16.474 1.00 31.86 H new ATOM 2466 N THR B 136 -1.649 -8.902 18.397 1.00 29.61 N ATOM 2467 CA THR B 136 -0.780 -9.762 17.618 1.00 30.61 C ATOM 2468 C THR B 136 -1.020 -11.232 17.954 1.00 32.61 C ATOM 2469 O THR B 136 -1.075 -12.079 17.064 1.00 31.07 O ATOM 2470 CB THR B 136 0.706 -9.387 17.847 1.00 31.38 C ATOM 2471 OG1 THR B 136 0.911 -8.026 17.447 1.00 30.62 O ATOM 2472 CG2 THR B 136 1.624 -10.294 17.037 1.00 31.40 C ATOM 0 H THR B 136 -1.242 -8.384 18.950 1.00 29.61 H new ATOM 0 HA THR B 136 -0.990 -9.630 16.680 1.00 30.61 H new ATOM 0 HB THR B 136 0.915 -9.497 18.788 1.00 31.38 H new ATOM 0 HG1 THR B 136 0.594 -7.511 18.030 1.00 30.62 H new ATOM 0 HG21 THR B 136 2.548 -10.043 17.194 1.00 31.40 H new ATOM 0 HG22 THR B 136 1.489 -11.216 17.307 1.00 31.40 H new ATOM 0 HG23 THR B 136 1.420 -10.201 16.093 1.00 31.40 H new ATOM 2473 N GLU B 137 -1.182 -11.540 19.234 1.00 34.23 N ATOM 2474 CA GLU B 137 -1.419 -12.926 19.590 1.00 37.36 C ATOM 2475 C GLU B 137 -2.850 -13.341 19.259 1.00 36.15 C ATOM 2476 O GLU B 137 -3.106 -14.516 18.998 1.00 37.33 O ATOM 2477 CB GLU B 137 -1.072 -13.179 21.061 1.00 40.92 C ATOM 2478 CG GLU B 137 -1.726 -12.312 22.049 1.00 48.11 C ATOM 2479 CD GLU B 137 -0.958 -12.291 23.359 1.00 52.33 C ATOM 2480 OE1 GLU B 137 -1.531 -11.866 24.383 0.50 52.47 O ATOM 2481 OE2 GLU B 137 0.227 -12.693 23.355 1.00 54.78 O ATOM 0 H GLU B 137 -1.159 -10.983 19.889 1.00 34.23 H new ATOM 0 HA GLU B 137 -0.831 -13.483 19.056 1.00 37.36 H new ATOM 0 HB2 GLU B 137 -1.294 -14.100 21.271 1.00 40.92 H new ATOM 0 HB3 GLU B 137 -0.112 -13.088 21.166 1.00 40.92 H new ATOM 0 HG2 GLU B 137 -1.794 -11.411 21.697 1.00 48.11 H new ATOM 0 HG3 GLU B 137 -2.631 -12.624 22.207 1.00 48.11 H new ATOM 2482 N ASP B 138 -3.773 -12.378 19.243 1.00 35.94 N ATOM 2483 CA ASP B 138 -5.165 -12.673 18.899 1.00 36.22 C ATOM 2484 C ASP B 138 -5.212 -13.165 17.454 1.00 36.86 C ATOM 2485 O ASP B 138 -6.030 -14.012 17.101 1.00 37.16 O ATOM 2486 CB ASP B 138 -6.061 -11.421 18.996 1.00 36.69 C ATOM 2487 CG ASP B 138 -6.487 -11.096 20.418 1.00 36.77 C ATOM 2488 OD1 ASP B 138 -6.337 -11.955 21.305 1.00 36.14 O ATOM 2489 OD2 ASP B 138 -6.988 -9.974 20.643 1.00 40.88 O ATOM 0 H ASP B 138 -3.615 -11.553 19.427 1.00 35.94 H new ATOM 0 HA ASP B 138 -5.492 -13.339 19.524 1.00 36.22 H new ATOM 0 HB2 ASP B 138 -5.585 -10.661 18.626 1.00 36.69 H new ATOM 0 HB3 ASP B 138 -6.852 -11.554 18.450 1.00 36.69 H new ATOM 2490 N LYS B 139 -4.331 -12.623 16.619 1.00 35.99 N ATOM 2491 CA LYS B 139 -4.309 -12.995 15.211 1.00 36.95 C ATOM 2492 C LYS B 139 -3.426 -14.193 14.885 1.00 37.04 C ATOM 2493 O LYS B 139 -3.191 -14.499 13.718 1.00 37.73 O ATOM 2494 CB LYS B 139 -3.906 -11.784 14.368 1.00 37.99 C ATOM 2495 CG LYS B 139 -4.816 -10.577 14.593 1.00 38.78 C ATOM 2496 CD LYS B 139 -6.297 -10.987 14.461 1.00 41.13 C ATOM 2497 CE LYS B 139 -7.235 -9.829 14.682 1.00 41.01 C ATOM 2498 NZ LYS B 139 -8.648 -10.264 14.479 1.00 41.43 N ATOM 0 H LYS B 139 -3.741 -12.041 16.847 1.00 35.99 H new ATOM 0 HA LYS B 139 -5.210 -13.279 14.992 1.00 36.95 H new ATOM 0 HB2 LYS B 139 -2.992 -11.538 14.579 1.00 37.99 H new ATOM 0 HB3 LYS B 139 -3.925 -12.028 13.429 1.00 37.99 H new ATOM 0 HG2 LYS B 139 -4.655 -10.203 15.474 1.00 38.78 H new ATOM 0 HG3 LYS B 139 -4.608 -9.883 13.948 1.00 38.78 H new ATOM 0 HD2 LYS B 139 -6.449 -11.360 13.579 1.00 41.13 H new ATOM 0 HD3 LYS B 139 -6.495 -11.687 15.103 1.00 41.13 H new ATOM 0 HE2 LYS B 139 -7.123 -9.480 15.580 1.00 41.01 H new ATOM 0 HE3 LYS B 139 -7.020 -9.109 14.069 1.00 41.01 H new ATOM 0 HZ1 LYS B 139 -9.193 -9.573 14.612 1.00 41.43 H new ATOM 0 HZ2 LYS B 139 -8.749 -10.566 13.648 1.00 41.43 H new ATOM 0 HZ3 LYS B 139 -8.845 -10.912 15.056 1.00 41.43 H new ATOM 2499 N GLY B 140 -2.948 -14.876 15.918 1.00 36.73 N ATOM 2500 CA GLY B 140 -2.115 -16.047 15.705 1.00 37.66 C ATOM 2501 C GLY B 140 -0.767 -15.779 15.062 1.00 38.00 C ATOM 2502 O GLY B 140 -0.233 -16.634 14.347 1.00 38.56 O ATOM 0 H GLY B 140 -3.093 -14.679 16.742 1.00 36.73 H new ATOM 0 HA2 GLY B 140 -1.968 -16.480 16.560 1.00 37.66 H new ATOM 0 HA3 GLY B 140 -2.602 -16.675 15.149 1.00 37.66 H new ATOM 2503 N ILE B 141 -0.223 -14.590 15.305 1.00 36.41 N ATOM 2504 CA ILE B 141 1.077 -14.202 14.763 1.00 37.33 C ATOM 2505 C ILE B 141 2.190 -14.551 15.745 1.00 38.47 C ATOM 2506 O ILE B 141 2.163 -14.142 16.905 1.00 40.29 O ATOM 2507 CB ILE B 141 1.119 -12.683 14.456 1.00 36.64 C ATOM 2508 CG1 ILE B 141 0.144 -12.369 13.321 1.00 35.77 C ATOM 2509 CG2 ILE B 141 2.539 -12.243 14.082 1.00 35.39 C ATOM 2510 CD1 ILE B 141 -0.052 -10.889 13.056 1.00 36.24 C ATOM 0 H ILE B 141 -0.597 -13.985 15.789 1.00 36.41 H new ATOM 0 HA ILE B 141 1.211 -14.693 13.937 1.00 37.33 H new ATOM 0 HB ILE B 141 0.856 -12.192 15.250 1.00 36.64 H new ATOM 0 HG12 ILE B 141 0.463 -12.793 12.509 1.00 35.77 H new ATOM 0 HG13 ILE B 141 -0.716 -12.766 13.529 1.00 35.77 H new ATOM 0 HG21 ILE B 141 2.544 -11.291 13.894 1.00 35.39 H new ATOM 0 HG22 ILE B 141 3.141 -12.430 14.820 1.00 35.39 H new ATOM 0 HG23 ILE B 141 2.832 -12.729 13.295 1.00 35.39 H new ATOM 0 HD11 ILE B 141 -0.680 -10.771 12.327 1.00 36.24 H new ATOM 0 HD12 ILE B 141 -0.399 -10.460 13.854 1.00 36.24 H new ATOM 0 HD13 ILE B 141 0.798 -10.487 12.818 1.00 36.24 H new ATOM 2511 N ASP B 142 3.162 -15.323 15.270 1.00 40.19 N ATOM 2512 CA ASP B 142 4.299 -15.735 16.087 1.00 43.24 C ATOM 2513 C ASP B 142 5.195 -14.527 16.357 1.00 43.40 C ATOM 2514 O ASP B 142 5.407 -13.697 15.476 1.00 42.86 O ATOM 2515 CB ASP B 142 5.096 -16.818 15.354 1.00 45.52 C ATOM 2516 CG ASP B 142 6.058 -17.561 16.266 1.00 48.51 C ATOM 2517 OD1 ASP B 142 6.925 -16.912 16.890 1.00 49.91 O ATOM 2518 OD2 ASP B 142 5.947 -18.802 16.354 0.10 47.83 O ATOM 0 H ASP B 142 3.181 -15.623 14.464 1.00 40.19 H new ATOM 0 HA ASP B 142 3.978 -16.093 16.930 1.00 43.24 H new ATOM 0 HB2 ASP B 142 4.480 -17.452 14.955 1.00 45.52 H new ATOM 0 HB3 ASP B 142 5.594 -16.411 14.628 1.00 45.52 H new ATOM 2519 N LYS B 143 5.714 -14.435 17.577 1.00 44.98 N ATOM 2520 CA LYS B 143 6.585 -13.331 17.968 1.00 46.64 C ATOM 2521 C LYS B 143 7.826 -13.185 17.099 1.00 45.69 C ATOM 2522 O LYS B 143 8.366 -12.088 16.966 1.00 45.62 O ATOM 2523 CB LYS B 143 7.005 -13.483 19.430 1.00 49.72 C ATOM 2524 CG LYS B 143 6.019 -12.881 20.406 1.00 53.25 C ATOM 2525 CD LYS B 143 6.340 -13.279 21.834 1.00 56.00 C ATOM 2526 CE LYS B 143 5.346 -12.656 22.796 1.00 57.62 C ATOM 2527 NZ LYS B 143 5.461 -11.171 22.763 1.00 60.03 N ATOM 0 H LYS B 143 5.572 -15.010 18.201 1.00 44.98 H new ATOM 0 HA LYS B 143 6.061 -12.524 17.843 1.00 46.64 H new ATOM 0 HB2 LYS B 143 7.114 -14.426 19.631 1.00 49.72 H new ATOM 0 HB3 LYS B 143 7.871 -13.064 19.556 1.00 49.72 H new ATOM 0 HG2 LYS B 143 6.033 -11.914 20.327 1.00 53.25 H new ATOM 0 HG3 LYS B 143 5.121 -13.171 20.182 1.00 53.25 H new ATOM 0 HD2 LYS B 143 6.318 -14.245 21.919 1.00 56.00 H new ATOM 0 HD3 LYS B 143 7.239 -12.994 22.060 1.00 56.00 H new ATOM 0 HE2 LYS B 143 4.444 -12.923 22.558 1.00 57.62 H new ATOM 0 HE3 LYS B 143 5.509 -12.980 23.696 1.00 57.62 H new ATOM 0 HZ1 LYS B 143 5.082 -10.827 23.491 1.00 60.03 H new ATOM 0 HZ2 LYS B 143 6.320 -10.940 22.740 1.00 60.03 H new ATOM 0 HZ3 LYS B 143 5.050 -10.857 22.039 1.00 60.03 H new ATOM 2528 N LYS B 144 8.285 -14.282 16.509 1.00 45.03 N ATOM 2529 CA LYS B 144 9.464 -14.207 15.660 1.00 43.99 C ATOM 2530 C LYS B 144 9.117 -13.667 14.276 1.00 42.86 C ATOM 2531 O LYS B 144 9.992 -13.461 13.435 1.00 42.30 O ATOM 2532 CB LYS B 144 10.158 -15.575 15.570 1.00 46.78 C ATOM 2533 CG LYS B 144 9.329 -16.776 15.032 1.00 48.68 C ATOM 2534 CD LYS B 144 9.139 -16.720 13.519 0.10 48.01 C ATOM 2535 CE LYS B 144 8.338 -17.939 12.993 0.10 48.20 C ATOM 2536 NZ LYS B 144 7.110 -18.244 13.770 0.10 48.18 N ATOM 0 H LYS B 144 7.936 -15.064 16.585 1.00 45.03 H new ATOM 0 HA LYS B 144 10.086 -13.583 16.066 1.00 43.99 H new ATOM 0 HB2 LYS B 144 10.940 -15.476 15.005 1.00 46.78 H new ATOM 0 HB3 LYS B 144 10.477 -15.806 16.457 1.00 46.78 H new ATOM 0 HG2 LYS B 144 9.774 -17.605 15.269 1.00 48.68 H new ATOM 0 HG3 LYS B 144 8.461 -16.786 15.464 1.00 48.68 H new ATOM 0 HD2 LYS B 144 8.676 -15.902 13.281 0.10 48.01 H new ATOM 0 HD3 LYS B 144 10.006 -16.691 13.085 0.10 48.01 H new ATOM 0 HE2 LYS B 144 8.092 -17.777 12.069 0.10 48.20 H new ATOM 0 HE3 LYS B 144 8.915 -18.719 13.000 0.10 48.20 H new ATOM 0 HZ1 LYS B 144 6.664 -18.904 13.374 0.10 48.18 H new ATOM 0 HZ2 LYS B 144 7.334 -18.492 14.595 0.10 48.18 H new ATOM 0 HZ3 LYS B 144 6.595 -17.519 13.808 0.10 48.18 H new ATOM 2537 N ASN B 145 7.829 -13.423 14.057 1.00 40.45 N ATOM 2538 CA ASN B 145 7.349 -12.885 12.793 1.00 39.06 C ATOM 2539 C ASN B 145 6.976 -11.415 12.975 1.00 36.92 C ATOM 2540 O ASN B 145 6.061 -10.906 12.333 1.00 36.77 O ATOM 2541 CB ASN B 145 6.145 -13.692 12.303 1.00 40.57 C ATOM 2542 CG ASN B 145 6.549 -15.046 11.737 1.00 43.49 C ATOM 2543 OD1 ASN B 145 7.838 -15.207 11.454 1.00 46.99 O flip ATOM 2544 ND2 ASN B 145 5.715 -15.929 11.546 1.00 43.79 N flip ATOM 0 H ASN B 145 7.211 -13.565 14.637 1.00 40.45 H new ATOM 0 HA ASN B 145 8.050 -12.950 12.126 1.00 39.06 H new ATOM 0 HB2 ASN B 145 5.525 -13.823 13.038 1.00 40.57 H new ATOM 0 HB3 ASN B 145 5.675 -13.186 11.622 1.00 40.57 H new ATOM 0 HD21 ASN B 145 4.889 -15.790 11.741 1.00 43.79 H new ATOM 0 HD22 ASN B 145 5.958 -16.686 11.217 1.00 43.79 H new ATOM 2545 N VAL B 146 7.695 -10.749 13.872 1.00 33.23 N ATOM 2546 CA VAL B 146 7.482 -9.330 14.151 1.00 32.11 C ATOM 2547 C VAL B 146 8.811 -8.592 13.991 1.00 32.04 C ATOM 2548 O VAL B 146 9.848 -9.045 14.477 1.00 31.90 O ATOM 2549 CB VAL B 146 6.964 -9.111 15.585 1.00 32.53 C ATOM 2550 CG1 VAL B 146 6.802 -7.621 15.860 1.00 34.82 C ATOM 2551 CG2 VAL B 146 5.639 -9.852 15.774 1.00 32.21 C ATOM 0 H VAL B 146 8.323 -11.107 14.338 1.00 33.23 H new ATOM 0 HA VAL B 146 6.818 -8.992 13.530 1.00 32.11 H new ATOM 0 HB VAL B 146 7.607 -9.466 16.219 1.00 32.53 H new ATOM 0 HG11 VAL B 146 6.476 -7.492 16.764 1.00 34.82 H new ATOM 0 HG12 VAL B 146 7.659 -7.178 15.760 1.00 34.82 H new ATOM 0 HG13 VAL B 146 6.168 -7.243 15.231 1.00 34.82 H new ATOM 0 HG21 VAL B 146 5.316 -9.712 16.678 1.00 32.21 H new ATOM 0 HG22 VAL B 146 4.986 -9.514 15.141 1.00 32.21 H new ATOM 0 HG23 VAL B 146 5.774 -10.801 15.623 1.00 32.21 H new ATOM 2552 N VAL B 147 8.767 -7.452 13.314 1.00 30.66 N ATOM 2553 CA VAL B 147 9.955 -6.646 13.075 1.00 30.80 C ATOM 2554 C VAL B 147 9.922 -5.359 13.892 1.00 30.70 C ATOM 2555 O VAL B 147 8.888 -4.689 13.974 1.00 30.16 O ATOM 2556 CB VAL B 147 10.073 -6.275 11.582 1.00 30.87 C ATOM 2557 CG1 VAL B 147 11.229 -5.301 11.371 1.00 34.33 C ATOM 2558 CG2 VAL B 147 10.273 -7.529 10.754 1.00 32.19 C ATOM 0 H VAL B 147 8.046 -7.124 12.980 1.00 30.66 H new ATOM 0 HA VAL B 147 10.720 -7.179 13.344 1.00 30.80 H new ATOM 0 HB VAL B 147 9.253 -5.842 11.296 1.00 30.87 H new ATOM 0 HG11 VAL B 147 11.294 -5.075 10.430 1.00 34.33 H new ATOM 0 HG12 VAL B 147 11.071 -4.495 11.887 1.00 34.33 H new ATOM 0 HG13 VAL B 147 12.057 -5.714 11.662 1.00 34.33 H new ATOM 0 HG21 VAL B 147 10.346 -7.290 9.817 1.00 32.19 H new ATOM 0 HG22 VAL B 147 11.085 -7.978 11.037 1.00 32.19 H new ATOM 0 HG23 VAL B 147 9.516 -8.123 10.877 1.00 32.19 H new ATOM 2559 N ASN B 148 11.058 -5.026 14.496 1.00 29.47 N ATOM 2560 CA ASN B 148 11.188 -3.817 15.300 1.00 30.69 C ATOM 2561 C ASN B 148 11.813 -2.753 14.399 1.00 31.05 C ATOM 2562 O ASN B 148 13.033 -2.736 14.186 1.00 31.96 O ATOM 2563 CB ASN B 148 12.080 -4.092 16.524 1.00 32.88 C ATOM 2564 CG ASN B 148 12.084 -2.945 17.533 1.00 30.51 C ATOM 2565 OD1 ASN B 148 11.994 -1.717 17.043 1.00 34.36 O flip ATOM 2566 ND2 ASN B 148 12.181 -3.171 18.743 1.00 26.40 N flip ATOM 0 H ASN B 148 11.777 -5.496 14.451 1.00 29.47 H new ATOM 0 HA ASN B 148 10.327 -3.519 15.631 1.00 30.69 H new ATOM 0 HB2 ASN B 148 11.776 -4.901 16.964 1.00 32.88 H new ATOM 0 HB3 ASN B 148 12.988 -4.256 16.225 1.00 32.88 H new ATOM 0 HD21 ASN B 148 12.237 -3.981 19.026 1.00 26.40 H new ATOM 0 HD22 ASN B 148 12.192 -2.518 19.303 1.00 26.40 H new ATOM 2567 N PHE B 149 10.964 -1.881 13.859 1.00 29.35 N ATOM 2568 CA PHE B 149 11.408 -0.815 12.971 1.00 29.68 C ATOM 2569 C PHE B 149 12.133 0.297 13.710 1.00 30.87 C ATOM 2570 O PHE B 149 13.067 0.897 13.179 1.00 30.53 O ATOM 2571 CB PHE B 149 10.215 -0.227 12.206 1.00 28.89 C ATOM 2572 CG PHE B 149 9.619 -1.185 11.210 1.00 30.88 C ATOM 2573 CD1 PHE B 149 8.901 -2.300 11.636 1.00 30.32 C ATOM 2574 CD2 PHE B 149 9.780 -0.974 9.845 1.00 29.93 C ATOM 2575 CE1 PHE B 149 8.385 -3.209 10.716 1.00 30.68 C ATOM 2576 CE2 PHE B 149 9.266 -1.881 8.921 1.00 33.46 C ATOM 2577 CZ PHE B 149 8.558 -2.989 9.358 1.00 31.36 C ATOM 0 H PHE B 149 10.115 -1.893 13.998 1.00 29.35 H new ATOM 0 HA PHE B 149 12.037 -1.214 12.350 1.00 29.68 H new ATOM 0 HB2 PHE B 149 9.531 0.038 12.840 1.00 28.89 H new ATOM 0 HB3 PHE B 149 10.499 0.576 11.743 1.00 28.89 H new ATOM 0 HD1 PHE B 149 8.765 -2.439 12.545 1.00 30.32 H new ATOM 0 HD2 PHE B 149 10.235 -0.220 9.546 1.00 29.93 H new ATOM 0 HE1 PHE B 149 7.926 -3.962 11.012 1.00 30.68 H new ATOM 0 HE2 PHE B 149 9.398 -1.743 8.011 1.00 33.46 H new ATOM 0 HZ PHE B 149 8.199 -3.585 8.741 1.00 31.36 H new ATOM 2578 N LEU B 150 11.712 0.560 14.943 1.00 30.31 N ATOM 2579 CA LEU B 150 12.328 1.618 15.729 1.00 30.45 C ATOM 2580 C LEU B 150 13.810 1.372 15.989 1.00 29.77 C ATOM 2581 O LEU B 150 14.624 2.293 15.879 1.00 30.73 O ATOM 2582 CB LEU B 150 11.571 1.793 17.048 1.00 29.91 C ATOM 2583 CG LEU B 150 12.088 2.849 18.028 1.00 33.76 C ATOM 2584 CD1 LEU B 150 12.180 4.210 17.343 1.00 34.62 C ATOM 2585 CD2 LEU B 150 11.148 2.912 19.219 1.00 37.55 C ATOM 0 H LEU B 150 11.075 0.139 15.339 1.00 30.31 H new ATOM 0 HA LEU B 150 12.271 2.435 15.210 1.00 30.45 H new ATOM 0 HB2 LEU B 150 10.649 2.007 16.837 1.00 29.91 H new ATOM 0 HB3 LEU B 150 11.566 0.938 17.505 1.00 29.91 H new ATOM 0 HG LEU B 150 12.978 2.608 18.330 1.00 33.76 H new ATOM 0 HD11 LEU B 150 12.508 4.869 17.975 1.00 34.62 H new ATOM 0 HD12 LEU B 150 12.789 4.153 16.590 1.00 34.62 H new ATOM 0 HD13 LEU B 150 11.301 4.474 17.029 1.00 34.62 H new ATOM 0 HD21 LEU B 150 11.466 3.579 19.848 1.00 37.55 H new ATOM 0 HD22 LEU B 150 10.258 3.152 18.917 1.00 37.55 H new ATOM 0 HD23 LEU B 150 11.119 2.046 19.654 1.00 37.55 H new ATOM 2586 N GLU B 151 14.181 0.141 16.323 1.00 30.56 N ATOM 2587 CA GLU B 151 15.591 -0.128 16.572 1.00 31.97 C ATOM 2588 C GLU B 151 16.397 -0.106 15.276 1.00 31.84 C ATOM 2589 O GLU B 151 17.605 0.140 15.298 1.00 32.98 O ATOM 2590 CB GLU B 151 15.771 -1.451 17.319 1.00 32.67 C ATOM 2591 CG GLU B 151 15.147 -1.409 18.744 1.00 33.88 C ATOM 2592 CD GLU B 151 15.676 -0.259 19.588 1.00 39.45 C ATOM 2593 OE1 GLU B 151 15.021 0.087 20.595 1.00 40.16 O ATOM 2594 OE2 GLU B 151 16.749 0.300 19.257 1.00 39.35 O ATOM 0 H GLU B 151 13.652 -0.532 16.409 1.00 30.56 H new ATOM 0 HA GLU B 151 15.934 0.581 17.138 1.00 31.97 H new ATOM 0 HB2 GLU B 151 15.361 -2.167 16.809 1.00 32.67 H new ATOM 0 HB3 GLU B 151 16.717 -1.656 17.387 1.00 32.67 H new ATOM 0 HG2 GLU B 151 14.183 -1.332 18.668 1.00 33.88 H new ATOM 0 HG3 GLU B 151 15.329 -2.247 19.197 1.00 33.88 H new ATOM 2595 N ASN B 152 15.746 -0.353 14.142 1.00 33.43 N ATOM 2596 CA ASN B 152 16.474 -0.293 12.873 1.00 33.45 C ATOM 2597 C ASN B 152 16.826 1.170 12.600 1.00 33.46 C ATOM 2598 O ASN B 152 17.956 1.489 12.214 1.00 33.45 O ATOM 2599 CB ASN B 152 15.638 -0.851 11.715 1.00 35.53 C ATOM 2600 CG ASN B 152 15.485 -2.359 11.775 1.00 38.27 C ATOM 2601 OD1 ASN B 152 16.294 -3.054 12.391 1.00 39.47 O ATOM 2602 ND2 ASN B 152 14.454 -2.874 11.115 1.00 39.41 N ATOM 0 H ASN B 152 14.911 -0.551 14.082 1.00 33.43 H new ATOM 0 HA ASN B 152 17.275 -0.837 12.939 1.00 33.45 H new ATOM 0 HB2 ASN B 152 14.759 -0.440 11.728 1.00 35.53 H new ATOM 0 HB3 ASN B 152 16.053 -0.605 10.874 1.00 35.53 H new ATOM 0 HD21 ASN B 152 14.331 -3.725 11.107 1.00 39.41 H new ATOM 0 HD22 ASN B 152 13.910 -2.356 10.696 1.00 39.41 H new ATOM 2603 N GLU B 153 15.859 2.062 12.808 1.00 32.40 N ATOM 2604 CA GLU B 153 16.099 3.485 12.594 1.00 32.00 C ATOM 2605 C GLU B 153 17.128 4.026 13.588 1.00 32.63 C ATOM 2606 O GLU B 153 17.880 4.939 13.259 1.00 33.15 O ATOM 2607 CB GLU B 153 14.802 4.292 12.714 1.00 34.28 C ATOM 2608 CG GLU B 153 13.824 4.109 11.535 1.00 38.19 C ATOM 2609 CD GLU B 153 12.742 5.172 11.518 1.00 41.53 C ATOM 2610 OE1 GLU B 153 11.817 5.085 10.687 1.00 42.67 O ATOM 2611 OE2 GLU B 153 12.823 6.103 12.342 1.00 46.76 O ATOM 0 H GLU B 153 15.064 1.865 13.071 1.00 32.40 H new ATOM 0 HA GLU B 153 16.447 3.583 11.694 1.00 32.00 H new ATOM 0 HB2 GLU B 153 14.352 4.039 13.535 1.00 34.28 H new ATOM 0 HB3 GLU B 153 15.026 5.233 12.791 1.00 34.28 H new ATOM 0 HG2 GLU B 153 14.317 4.138 10.700 1.00 38.19 H new ATOM 0 HG3 GLU B 153 13.413 3.232 11.591 1.00 38.19 H new ATOM 2612 N ASN B 154 17.161 3.465 14.799 1.00 31.27 N ATOM 2613 CA ASN B 154 18.114 3.910 15.827 1.00 32.10 C ATOM 2614 C ASN B 154 19.526 3.406 15.571 1.00 32.29 C ATOM 2615 O ASN B 154 20.484 3.897 16.167 1.00 31.71 O ATOM 2616 CB ASN B 154 17.674 3.453 17.228 1.00 31.42 C ATOM 2617 CG ASN B 154 16.542 4.293 17.797 1.00 34.30 C ATOM 2618 OD1 ASN B 154 16.128 5.306 17.058 1.00 37.47 O flip ATOM 2619 ND2 ASN B 154 16.052 4.030 18.896 1.00 30.37 N flip ATOM 0 H ASN B 154 16.642 2.826 15.047 1.00 31.27 H new ATOM 0 HA ASN B 154 18.120 4.879 15.782 1.00 32.10 H new ATOM 0 HB2 ASN B 154 17.393 2.525 17.187 1.00 31.42 H new ATOM 0 HB3 ASN B 154 18.434 3.493 17.830 1.00 31.42 H new ATOM 0 HD21 ASN B 154 16.347 3.362 19.350 1.00 30.37 H new ATOM 0 HD22 ASN B 154 15.415 4.515 19.210 1.00 30.37 H new ATOM 2620 N HIS B 155 19.657 2.419 14.696 1.00 33.25 N ATOM 2621 CA HIS B 155 20.969 1.867 14.372 1.00 35.19 C ATOM 2622 C HIS B 155 21.055 1.681 12.862 1.00 35.57 C ATOM 2623 O HIS B 155 21.096 0.558 12.376 1.00 35.45 O ATOM 2624 CB HIS B 155 21.171 0.515 15.062 1.00 33.49 C ATOM 2625 CG HIS B 155 20.855 0.523 16.524 1.00 32.84 C ATOM 2626 ND1 HIS B 155 19.565 0.444 17.009 1.00 31.03 N ATOM 2627 CD2 HIS B 155 21.659 0.578 17.612 1.00 31.17 C ATOM 2628 CE1 HIS B 155 19.591 0.447 18.328 1.00 33.42 C ATOM 2629 NE2 HIS B 155 20.852 0.528 18.722 1.00 32.79 N ATOM 0 H HIS B 155 19.001 2.053 14.278 1.00 33.25 H new ATOM 0 HA HIS B 155 21.658 2.475 14.681 1.00 35.19 H new ATOM 0 HB2 HIS B 155 20.614 -0.147 14.624 1.00 33.49 H new ATOM 0 HB3 HIS B 155 22.092 0.235 14.941 1.00 33.49 H new ATOM 0 HD1 HIS B 155 18.855 0.400 16.526 1.00 31.03 H new ATOM 0 HD2 HIS B 155 22.587 0.639 17.608 1.00 31.17 H new ATOM 0 HE1 HIS B 155 18.849 0.400 18.887 1.00 33.42 H new ATOM 2630 N PRO B 156 21.082 2.787 12.104 1.00 39.40 N ATOM 2631 CA PRO B 156 21.157 2.748 10.640 1.00 43.13 C ATOM 2632 C PRO B 156 22.538 2.376 10.121 1.00 46.88 C ATOM 2633 O PRO B 156 23.441 2.071 10.894 1.00 46.48 O ATOM 2634 CB PRO B 156 20.777 4.169 10.249 1.00 43.14 C ATOM 2635 CG PRO B 156 21.430 4.969 11.329 1.00 43.06 C ATOM 2636 CD PRO B 156 21.063 4.182 12.583 1.00 40.49 C ATOM 0 HA PRO B 156 20.580 2.067 10.259 1.00 43.13 H new ATOM 0 HB2 PRO B 156 21.110 4.406 9.369 1.00 43.14 H new ATOM 0 HB3 PRO B 156 19.816 4.297 10.232 1.00 43.14 H new ATOM 0 HG2 PRO B 156 22.390 5.027 11.206 1.00 43.06 H new ATOM 0 HG3 PRO B 156 21.093 5.878 11.360 1.00 43.06 H new ATOM 0 HD2 PRO B 156 21.701 4.326 13.299 1.00 40.49 H new ATOM 0 HD3 PRO B 156 20.191 4.434 12.925 1.00 40.49 H new ATOM 2637 N HIS B 157 22.694 2.396 8.801 1.00 52.39 N ATOM 2638 CA HIS B 157 23.983 2.088 8.193 1.00 56.28 C ATOM 2639 C HIS B 157 24.139 2.801 6.858 1.00 57.19 C ATOM 2640 O HIS B 157 23.191 3.509 6.459 1.00 58.51 O ATOM 2641 CB HIS B 157 24.152 0.574 8.010 1.00 58.97 C ATOM 2642 CG HIS B 157 23.236 -0.028 6.991 1.00 61.48 C ATOM 2643 ND1 HIS B 157 23.194 0.401 5.682 1.00 63.09 N ATOM 2644 CD2 HIS B 157 22.358 -1.055 7.079 1.00 62.65 C ATOM 2645 CE1 HIS B 157 22.331 -0.338 5.006 1.00 63.96 C ATOM 2646 NE2 HIS B 157 21.811 -1.228 5.831 1.00 64.11 N ATOM 0 H HIS B 157 22.068 2.585 8.242 1.00 52.39 H new ATOM 0 HA HIS B 157 24.677 2.405 8.792 1.00 56.28 H new ATOM 0 HB2 HIS B 157 25.069 0.390 7.754 1.00 58.97 H new ATOM 0 HB3 HIS B 157 24.002 0.137 8.863 1.00 58.97 H new ATOM 0 HD2 HIS B 157 22.162 -1.550 7.841 1.00 62.65 H new ATOM 0 HE1 HIS B 157 22.125 -0.247 4.104 1.00 63.96 H new ATOM 0 HE2 HIS B 157 21.224 -1.821 5.621 1.00 64.11 H new TER 2647 HIS B 157 HETATM 2648 C1 A3OL A1001 -2.013 -1.227 3.921 0.50 54.90 C HETATM 2649 C2 A3OL A1001 -1.275 0.006 3.744 0.50 55.35 C HETATM 2650 C3 A3OL A1001 0.222 0.105 3.910 0.50 54.78 C HETATM 2651 O1 A3OL A1001 0.687 1.398 3.350 0.50 57.04 O HETATM 2652 C4 A3OL A1001 0.469 0.027 5.398 0.50 54.12 C HETATM 2653 C5 A3OL A1001 0.858 -1.384 5.814 0.50 53.37 C HETATM 2654 C6 A3OL A1001 1.206 -1.397 7.314 0.50 52.44 C HETATM 2655 C7 A3OL A1001 0.014 -1.744 8.180 0.50 51.86 C HETATM 2656 C8 A3OL A1001 0.266 -3.067 8.947 0.50 50.42 C HETATM 0 HO1A3OL A1001 1.490 1.329 3.115 0.50 57.04 H new HETATM 0 H83A3OL A1001 0.414 -3.786 8.313 0.50 50.42 H new HETATM 0 H82A3OL A1001 1.048 -2.969 9.513 0.50 50.42 H new HETATM 0 H81A3OL A1001 -0.506 -3.275 9.496 0.50 50.42 H new HETATM 0 H72A3OL A1001 -0.155 -1.026 8.810 0.50 51.86 H new HETATM 0 H71A3OL A1001 -0.779 -1.830 7.628 0.50 51.86 H new HETATM 0 H62A3OL A1001 1.916 -2.039 7.473 0.50 52.44 H new HETATM 0 H61A3OL A1001 1.547 -0.526 7.572 0.50 52.44 H new HETATM 0 H52A3OL A1001 0.128 -1.997 5.636 0.50 53.37 H new HETATM 0 H51A3OL A1001 1.618 -1.688 5.293 0.50 53.37 H new HETATM 0 H42A3OL A1001 1.174 0.646 5.645 0.50 54.12 H new HETATM 0 H41A3OL A1001 -0.329 0.300 5.876 0.50 54.12 H new HETATM 0 H31A3OL A1001 0.702 -0.598 3.446 0.50 54.78 H new HETATM 0 H21A3OL A1001 -1.767 0.808 3.507 0.50 55.35 H new HETATM 0 H12A3OL A1001 -2.976 -1.237 3.803 0.50 54.90 H new HETATM 0 H11A3OL A1001 -1.545 -2.043 4.158 0.50 54.90 H new HETATM 2657 C1 B3OL A1002 -1.339 0.290 3.290 0.50 54.01 C HETATM 2658 C2 B3OL A1002 -0.010 0.606 3.026 0.50 53.45 C HETATM 2659 C3 B3OL A1002 0.754 0.538 4.337 0.50 53.42 C HETATM 2660 O1 B3OL A1002 2.145 0.252 4.053 0.50 53.18 O HETATM 2661 C4 B3OL A1002 0.153 -0.521 5.238 0.50 53.34 C HETATM 2662 C5 B3OL A1002 0.938 -1.090 6.423 0.50 53.02 C HETATM 2663 C6 B3OL A1002 0.229 -1.846 7.546 0.50 52.07 C HETATM 2664 C7 B3OL A1002 1.011 -2.409 8.732 0.50 51.11 C HETATM 2665 C8 B3OL A1002 0.301 -3.162 9.852 0.50 50.20 C HETATM 0 HO1B3OL A1002 2.410 0.743 3.425 0.50 53.18 H new HETATM 0 H83B3OL A1002 -0.354 -2.580 10.269 0.50 50.20 H new HETATM 0 H82B3OL A1002 -0.146 -3.941 9.486 0.50 50.20 H new HETATM 0 H81B3OL A1002 0.951 -3.444 10.515 0.50 50.20 H new HETATM 0 H72B3OL A1002 1.685 -3.006 8.371 0.50 51.11 H new HETATM 0 H71B3OL A1002 1.480 -1.666 9.142 0.50 51.11 H new HETATM 0 H62B3OL A1002 -0.446 -1.250 7.908 0.50 52.07 H new HETATM 0 H61B3OL A1002 -0.240 -2.590 7.136 0.50 52.07 H new HETATM 0 H52B3OL A1002 1.610 -1.687 6.058 0.50 53.02 H new HETATM 0 H51B3OL A1002 1.410 -0.349 6.833 0.50 53.02 H new HETATM 0 H42B3OL A1002 -0.672 -0.156 5.594 0.50 53.34 H new HETATM 0 H41B3OL A1002 -0.089 -1.271 4.672 0.50 53.34 H new HETATM 0 H31B3OL A1002 0.693 1.388 4.800 0.50 53.42 H new HETATM 0 H21B3OL A1002 0.362 0.830 2.159 0.50 53.45 H new HETATM 0 H12B3OL A1002 -1.988 0.281 2.569 0.50 54.01 H new HETATM 0 H11B3OL A1002 -1.617 0.079 4.195 0.50 54.01 H new HETATM 2666 C1 A3OL B1003 28.222 18.718 20.728 0.50 50.59 C HETATM 2667 C2 A3OL B1003 27.688 17.477 20.394 0.50 52.24 C HETATM 2668 C3 A3OL B1003 26.203 17.672 20.128 0.50 52.91 C HETATM 2669 O1 A3OL B1003 25.750 16.630 19.228 0.50 53.83 O HETATM 2670 C4 A3OL B1003 25.945 19.045 19.550 0.50 53.02 C HETATM 2671 C5 A3OL B1003 24.777 19.296 18.584 0.50 52.76 C HETATM 2672 C6 A3OL B1003 24.286 20.712 18.306 0.50 51.73 C HETATM 2673 C7 A3OL B1003 22.822 20.972 17.955 0.50 50.52 C HETATM 2674 C8 A3OL B1003 22.131 22.262 18.396 0.50 49.65 C HETATM 0 HO1A3OL B1003 24.911 16.643 19.183 0.50 53.83 H new HETATM 0 H83A3OL B1003 22.148 22.324 19.364 0.50 49.65 H new HETATM 0 H82A3OL B1003 22.595 23.024 18.016 0.50 49.65 H new HETATM 0 H81A3OL B1003 21.211 22.258 18.088 0.50 49.65 H new HETATM 0 H72A3OL B1003 22.747 20.924 16.989 0.50 50.52 H new HETATM 0 H71A3OL B1003 22.306 20.234 18.316 0.50 50.52 H new HETATM 0 H62A3OL B1003 24.491 21.245 19.090 0.50 51.73 H new HETATM 0 H61A3OL B1003 24.821 21.062 17.577 0.50 51.73 H new HETATM 0 H52A3OL B1003 25.024 18.907 17.730 0.50 52.76 H new HETATM 0 H51A3OL B1003 24.018 18.791 18.917 0.50 52.76 H new HETATM 0 H42A3OL B1003 25.828 19.650 20.299 0.50 53.02 H new HETATM 0 H41A3OL B1003 26.755 19.316 19.091 0.50 53.02 H new HETATM 0 H31A3OL B1003 25.708 17.611 20.960 0.50 52.91 H new HETATM 0 H21A3OL B1003 28.175 16.640 20.341 0.50 52.24 H new HETATM 0 H12A3OL B1003 29.166 18.800 20.935 0.50 50.59 H new HETATM 0 H11A3OL B1003 27.650 19.501 20.754 0.50 50.59 H new HETATM 2675 C1 B3OL B1004 28.543 19.505 20.714 0.50 52.46 C HETATM 2676 C2 B3OL B1004 27.818 18.255 20.572 0.50 53.08 C HETATM 2677 C3 B3OL B1004 26.733 18.036 19.553 0.50 54.21 C HETATM 2678 O1 B3OL B1004 26.214 16.647 19.676 0.50 54.75 O HETATM 2679 C4 B3OL B1004 25.661 19.055 19.874 0.50 54.06 C HETATM 2680 C5 B3OL B1004 24.980 19.563 18.605 0.50 53.91 C HETATM 2681 C6 B3OL B1004 23.989 20.678 18.973 0.50 52.99 C HETATM 2682 C7 B3OL B1004 23.292 21.253 17.755 0.50 51.66 C HETATM 2683 C8 B3OL B1004 22.297 22.373 18.165 0.50 51.14 C HETATM 0 HO1B3OL B1004 25.607 16.523 19.109 0.50 54.75 H new HETATM 0 H83B3OL B1004 21.627 22.008 18.764 0.50 51.14 H new HETATM 0 H82B3OL B1004 22.778 23.085 18.614 0.50 51.14 H new HETATM 0 H81B3OL B1004 21.863 22.726 17.373 0.50 51.14 H new HETATM 0 H72B3OL B1004 23.951 21.610 17.139 0.50 51.66 H new HETATM 0 H71B3OL B1004 22.817 20.549 17.286 0.50 51.66 H new HETATM 0 H62B3OL B1004 23.325 20.328 19.588 0.50 52.99 H new HETATM 0 H61B3OL B1004 24.461 21.387 19.438 0.50 52.99 H new HETATM 0 H52B3OL B1004 25.643 19.898 17.981 0.50 53.91 H new HETATM 0 H51B3OL B1004 24.515 18.836 18.162 0.50 53.91 H new HETATM 0 H42B3OL B1004 24.999 18.657 20.461 0.50 54.06 H new HETATM 0 H41B3OL B1004 26.054 19.801 20.353 0.50 54.06 H new HETATM 0 H31B3OL B1004 27.048 18.144 18.642 0.50 54.21 H new HETATM 0 H21B3OL B1004 28.045 17.522 21.166 0.50 53.08 H new HETATM 0 H12B3OL B1004 29.234 19.591 21.389 0.50 52.46 H new HETATM 0 H11B3OL B1004 28.336 20.254 20.134 0.50 52.46 H new HETATM 2684 O HOH A1003 7.497 19.332 21.218 1.00 40.66 O HETATM 2685 O HOH A1004 11.703 -1.566 3.612 1.00 36.73 O HETATM 2686 O HOH A1005 25.485 34.053 22.201 1.00 36.29 O HETATM 2687 O HOH A1006 8.228 13.180 8.954 1.00 37.17 O HETATM 2688 O HOH A1007 2.313 23.656 23.561 1.00 35.52 O HETATM 2689 O HOH A1008 11.319 -3.941 1.861 1.00 47.21 O HETATM 2690 O HOH A1009 12.718 11.724 11.795 1.00 48.87 O HETATM 2691 O HOH A1010 0.902 -8.463 -0.714 1.00 44.23 O HETATM 2692 O HOH A1011 -10.859 9.411 8.211 1.00 51.67 O HETATM 2693 O HOH A1012 -8.539 13.183 0.637 1.00 56.54 O HETATM 2694 O HOH A1013 3.865 17.294 15.069 1.00 48.49 O HETATM 2695 O HOH A1014 -6.821 12.191 4.132 1.00 46.60 O HETATM 2696 O HOH A1015 -8.880 -11.335 11.753 1.00 43.91 O HETATM 2697 O HOH A1016 -20.834 5.882 17.755 1.00 60.42 O HETATM 2698 O HOH A1017 2.275 -8.075 -3.078 1.00 55.49 O HETATM 2699 O HOH A1018 25.475 34.547 17.925 1.00 53.77 O HETATM 2700 O HOH A1019 8.381 -5.477 23.043 1.00 50.49 O HETATM 2701 O HOH A1020 -11.272 1.551 12.010 1.00 50.08 O HETATM 2702 O HOH A1021 15.006 22.525 5.700 1.00 49.88 O HETATM 2703 O HOH A1022 24.522 36.154 14.724 1.00 55.43 O HETATM 2704 O HOH A1023 5.714 -0.982 -2.500 1.00 75.11 O HETATM 2705 O HOH A1024 -0.267 27.142 15.946 1.00 60.42 O HETATM 2706 O HOH A1025 17.549 4.150 -3.208 1.00 51.21 O HETATM 2707 O HOH A1026 7.012 19.564 25.610 1.00 65.08 O HETATM 2708 O HOH A1027 14.019 -8.145 10.247 1.00 51.33 O HETATM 2709 O HOH A1028 -5.655 17.085 8.422 1.00 63.64 O HETATM 2710 O HOH A1029 10.335 23.772 7.189 1.00 71.27 O HETATM 2711 O HOH A1030 -2.686 -3.473 -6.024 1.00 69.96 O HETATM 2712 O HOH A1031 -1.744 14.067 17.798 1.00 61.35 O HETATM 2713 O HOH A1032 4.775 -10.398 -1.742 1.00 65.24 O HETATM 2714 O HOH A1033 10.711 37.975 14.562 1.00 79.00 O HETATM 2715 O HOH A1034 3.588 17.659 9.605 1.00 53.05 O HETATM 2716 O HOH A1035 -12.906 5.601 12.105 1.00 72.51 O HETATM 2717 O HOH A1036 -10.225 -12.682 9.008 1.00 65.09 O HETATM 2718 O HOH A1037 2.785 18.709 27.180 1.00 65.19 O HETATM 2719 O HOH A1038 -4.080 5.528 -3.250 1.00 65.74 O HETATM 2720 O HOH A1039 7.941 32.774 10.759 1.00 94.47 O HETATM 2721 O HOH A1040 6.302 15.665 22.016 1.00 86.58 O HETATM 2722 O HOH A1041 -8.927 4.135 20.459 1.00 64.42 O HETATM 2723 O HOH A1042 -19.400 5.505 5.386 1.00 65.58 O HETATM 2724 O HOH A1043 -1.291 -11.387 1.120 1.00 37.96 O HETATM 2725 O HOH A1044 -32.796 -4.122 14.130 1.00 52.72 O HETATM 2726 O HOH A1045 -19.089 12.841 11.733 1.00 60.10 O HETATM 2727 O HOH A1046 -12.101 -3.374 -5.298 1.00 67.65 O HETATM 2728 O HOH A1047 -6.491 7.451 24.969 1.00 72.07 O HETATM 2729 O HOH A1048 16.922 39.259 21.339 1.00 44.79 O HETATM 2730 O HOH A1049 24.216 33.424 5.656 1.00 69.39 O HETATM 2731 O HOH A1050 5.919 16.569 8.867 1.00 65.41 O HETATM 2732 O HOH A1051 16.772 24.552 5.256 1.00 64.33 O HETATM 2733 O HOH A1052 -28.546 2.324 14.616 1.00 48.94 O HETATM 2734 O HOH A1053 -13.906 20.439 8.926 1.00 81.36 O HETATM 2735 O HOH A1054 21.359 2.687 1.275 1.00 76.62 O HETATM 2736 O HOH A1055 -10.039 12.008 -2.554 1.00 77.79 O HETATM 2737 O HOH A1056 -21.428 0.195 1.660 1.00 80.89 O HETATM 2738 O HOH A1057 -17.816 -2.190 11.788 1.00 79.87 O HETATM 2739 O HOH A1058 -13.330 10.929 19.595 1.00 63.90 O HETATM 2740 O HOH A1059 -16.290 -7.619 9.105 1.00 78.68 O HETATM 2741 O HOH A1060 -14.665 -4.481 12.091 1.00 81.45 O HETATM 2742 O HOH A1061 3.870 15.947 22.547 1.00 72.45 O HETATM 2743 O HOH A1062 0.645 29.935 19.192 1.00 61.15 O HETATM 2744 O HOH A1063 21.850 29.745 2.878 1.00 69.08 O HETATM 2745 O HOH A1064 19.810 16.093 -4.748 1.00 73.14 O HETATM 2746 O HOH A1065 7.342 -1.691 -4.911 1.00 66.24 O HETATM 2747 O HOH A1066 3.138 21.256 15.594 1.00 55.71 O HETATM 2748 O HOH A1067 0.456 14.952 -1.913 1.00 65.50 O HETATM 2749 O HOH A1068 -17.744 5.390 18.615 1.00 67.00 O HETATM 2750 O HOH A1069 27.867 35.305 17.182 1.00 63.42 O HETATM 2751 O HOH A1070 8.289 37.771 15.883 1.00 71.37 O HETATM 2752 O HOH A1071 11.844 -13.358 0.476 1.00 66.75 O HETATM 2753 O HOH B1005 9.042 4.784 10.402 1.00 27.72 O HETATM 2754 O HOH B1006 16.704 12.791 13.659 1.00 27.01 O HETATM 2755 O HOH B1007 26.208 16.480 6.337 1.00 39.53 O HETATM 2756 O HOH B1008 12.736 8.593 12.180 1.00 38.25 O HETATM 2757 O HOH B1009 33.838 14.515 24.093 1.00 36.10 O HETATM 2758 O HOH B1010 30.358 33.855 18.919 1.00 42.16 O HETATM 2759 O HOH B1011 14.445 13.777 12.088 1.00 38.33 O HETATM 2760 O HOH B1012 23.971 15.090 7.224 1.00 35.42 O HETATM 2761 O HOH B1013 38.327 26.037 21.534 1.00 43.88 O HETATM 2762 O HOH B1014 13.482 -6.762 14.489 1.00 42.26 O HETATM 2763 O HOH B1015 25.616 9.240 29.492 1.00 37.17 O HETATM 2764 O HOH B1016 29.679 5.048 10.572 1.00 44.98 O HETATM 2765 O HOH B1017 22.932 22.852 30.085 1.00 45.42 O HETATM 2766 O HOH B1018 32.978 26.747 14.168 1.00 34.91 O HETATM 2767 O HOH B1019 33.237 11.548 23.002 1.00 42.81 O HETATM 2768 O HOH B1020 33.139 22.775 13.247 1.00 39.21 O HETATM 2769 O HOH B1021 37.492 17.767 17.439 1.00 37.90 O HETATM 2770 O HOH B1022 29.268 33.146 16.010 1.00 49.10 O HETATM 2771 O HOH B1023 8.023 26.184 12.911 1.00 51.60 O HETATM 2772 O HOH B1024 12.365 -1.103 20.933 1.00 44.12 O HETATM 2773 O HOH B1025 15.187 -4.485 14.709 1.00 45.33 O HETATM 2774 O HOH B1026 2.966 4.394 22.882 1.00 52.10 O HETATM 2775 O HOH B1027 38.672 30.282 11.564 1.00 97.87 O HETATM 2776 O HOH B1028 12.936 23.185 30.925 1.00 57.22 O HETATM 2777 O HOH B1029 19.782 17.939 1.166 1.00 81.08 O HETATM 2778 O HOH B1030 3.261 -15.329 11.693 1.00 60.32 O HETATM 2779 O HOH B1031 1.608 -17.354 12.240 1.00 61.74 O HETATM 2780 O HOH B1032 18.985 5.345 24.893 1.00 50.81 O HETATM 2781 O HOH B1033 10.542 20.201 32.688 1.00 56.83 O HETATM 2782 O HOH B1034 4.908 3.789 29.882 1.00 55.03 O HETATM 2783 O HOH B1035 30.264 15.711 7.478 1.00 74.44 O HETATM 2784 O HOH B1036 26.848 16.428 38.558 1.00 77.45 O HETATM 2785 O HOH B1037 23.724 14.471 33.008 1.00 46.17 O HETATM 2786 O HOH B1038 43.300 27.108 15.686 1.00 62.22 O HETATM 2787 O HOH B1039 23.307 -3.140 4.039 1.00 73.64 O HETATM 2788 O HOH B1040 13.664 21.239 32.945 1.00 71.94 O HETATM 2789 O HOH B1041 1.508 2.502 29.813 1.00 57.37 O HETATM 2790 O HOH B1042 -4.228 6.081 30.646 1.00 79.37 O HETATM 2791 O HOH B1043 13.403 27.645 29.339 1.00 77.27 O HETATM 2792 O HOH B1044 -8.634 11.928 35.384 1.00 77.69 O HETATM 2793 O HOH B1045 5.164 -16.608 19.007 1.00 66.24 O HETATM 2794 O HOH B1046 38.756 24.230 19.428 1.00 61.16 O HETATM 2795 O HOH B1047 11.809 -10.583 12.890 1.00 59.82 O HETATM 2796 O HOH B1048 37.478 27.919 9.834 1.00 68.21 O HETATM 2797 O HOH B1049 1.356 5.804 31.139 1.00 68.79 O HETATM 2798 O HOH B1050 17.748 7.339 11.571 1.00 49.17 O HETATM 2799 O HOH B1051 17.666 -3.449 14.974 1.00 58.87 O HETATM 2800 O HOH B1052 25.403 -1.868 5.866 1.00 84.46 O HETATM 2801 O HOH B1053 43.066 22.562 7.861 1.00 79.88 O HETATM 2802 O HOH B1054 10.796 7.114 8.964 1.00 55.37 O HETATM 2803 O HOH B1055 29.178 25.771 -0.103 1.00 75.70 O HETATM 2804 O HOH B1056 33.606 16.278 8.781 1.00 77.84 O HETATM 2805 O HOH B1057 31.046 27.306 30.417 1.00 73.72 O HETATM 2806 O HOH B1058 27.885 21.143 -0.196 1.00 67.26 O HETATM 2807 O HOH B1059 18.426 8.787 38.699 1.00 87.72 O HETATM 2808 O HOH B1060 9.792 -0.657 21.592 1.00 71.65 O HETATM 2809 O HOH B1061 14.986 9.070 10.023 1.00 80.77 O HETATM 2810 O HOH B1062 29.106 8.073 30.948 1.00 47.40 O HETATM 2811 O HOH B1063 -6.173 2.156 27.594 1.00 77.15 O HETATM 2812 O HOH B1064 11.742 6.421 14.406 1.00 50.38 O HETATM 2813 O HOH B1065 7.665 21.656 12.678 1.00 67.25 O HETATM 2814 O HOH B1066 33.666 27.183 23.396 1.00 63.58 O HETATM 2815 O HOH B1067 44.347 27.581 11.361 1.00 81.36 O HETATM 2816 O HOH B1068 30.796 34.654 11.246 1.00 59.61 O HETATM 2817 O HOH B1069 31.837 29.566 11.647 1.00 58.64 O HETATM 2818 O HOH B1070 33.028 14.863 27.760 1.00 50.95 O HETATM 2819 O HOH B1071 17.752 4.293 33.944 1.00 70.43 O HETATM 2820 O HOH B1072 34.698 33.492 14.230 1.00 59.38 O HETATM 2821 O HOH B1073 10.525 5.193 24.019 1.00 48.01 O HETATM 2822 O HOH B1074 11.532 2.894 23.382 1.00 59.10 O HETATM 2823 O HOH B1075 27.211 3.500 4.682 1.00 75.10 O HETATM 2824 O HOH B1076 28.733 1.763 1.465 1.00 68.23 O HETATM 2825 O HOH B1077 21.813 3.829 18.760 1.00 51.14 O HETATM 2826 O HOH B1078 -0.373 5.291 27.812 1.00 73.13 O HETATM 2827 O HOH B1079 30.378 36.794 12.694 1.00 67.62 O HETATM 2828 O HOH B1080 32.543 11.923 10.728 1.00 64.00 O HETATM 2829 O HOH B1081 34.977 11.012 24.974 1.00 61.33 O HETATM 2830 O HOH B1082 36.972 34.873 13.488 1.00 66.06 O HETATM 2831 O HOH B1083 6.887 26.683 9.897 1.00 69.70 O HETATM 2832 O HOH B1084 32.876 21.633 36.537 1.00 58.37 O HETATM 2833 O HOH B1085 23.859 19.097 16.289 1.00 62.46 O CONECT 2648 2649 CONECT 2649 2648 2650 CONECT 2650 2649 2651 2652 CONECT 2651 2650 CONECT 2652 2650 2653 CONECT 2653 2652 2654 CONECT 2654 2653 2655 CONECT 2655 2654 2656 CONECT 2656 2655 CONECT 2657 2658 CONECT 2658 2657 2659 CONECT 2659 2658 2660 2661 CONECT 2660 2659 CONECT 2661 2659 2662 CONECT 2662 2661 2663 CONECT 2663 2662 2664 CONECT 2664 2663 2665 CONECT 2665 2664 CONECT 2666 2667 CONECT 2667 2666 2668 CONECT 2668 2667 2669 2670 CONECT 2669 2668 CONECT 2670 2668 2671 CONECT 2671 2670 2672 CONECT 2672 2671 2673 CONECT 2673 2672 2674 CONECT 2674 2673 CONECT 2675 2676 CONECT 2676 2675 2677 CONECT 2677 2676 2678 2679 CONECT 2678 2677 CONECT 2679 2677 2680 CONECT 2680 2679 2681 CONECT 2681 2680 2682 CONECT 2682 2681 2683 CONECT 2683 2682 END