USER MOD reduce.3.24.130724 H: found=0, std=0, add=1196, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TOXIN 07-DEC-19 6LH8 TITLE STRUCTURE OF AEROLYSIN-LIKE PROTEIN (BOMBINA MAXIMA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: AEROLYSIN-LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOMBINA MAXIMA; SOURCE 3 ORGANISM_TAXID: 161274; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PORE-FORMING, AEROLYSIN, AMPHIBIAN, SECRETION, TOXIN EXPDTA X-RAY DIFFRACTION AUTHOR X.L.BIAN,Q.Q.WANG,X.LI,M.Q.TENG,Y.ZHANG REVDAT 1 10-JUN-20 6LH8 0 JRNL AUTH Q.Q.WANG,X.L.BIAN,L.ZENG,F.PAN,L.LIU,J.LIANG,L.WANG,K.ZHOU, JRNL AUTH 2 W.LEE,Y.XIANG,S.LI,M.TENG,X.LI,X.GUO,Y.ZHANG JRNL TITL A CELLULAR ENDOLYSOSOME-MODULATING PORE-FORMING PROTEIN FROM JRNL TITL 2 A TOAD IS NEGATIVELY REGULATED BY ITS PARALOG UNDER JRNL TITL 3 OXIDIZING CONDITIONS JRNL REF J.BIOL.CHEM. 2020 JRNL REFN ESSN 1083-351X REMARK 2 REMARK 2 RESOLUTION. 1.73 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.14_3260 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.73 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.58 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.420 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.5 REMARK 3 NUMBER OF REFLECTIONS : 16266 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.196 REMARK 3 R VALUE (WORKING SET) : 0.192 REMARK 3 FREE R VALUE : 0.231 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010 REMARK 3 FREE R VALUE TEST SET COUNT : 1628 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 41.5780 - 3.9574 1.00 1371 152 0.1787 0.2092 REMARK 3 2 3.9574 - 3.1414 1.00 1281 142 0.1778 0.2075 REMARK 3 3 3.1414 - 2.7444 1.00 1261 141 0.1932 0.2619 REMARK 3 4 2.7444 - 2.4935 1.00 1240 139 0.2169 0.2522 REMARK 3 5 2.4935 - 2.3148 0.99 1227 133 0.2013 0.2379 REMARK 3 6 2.3148 - 2.1783 0.98 1221 139 0.1923 0.2671 REMARK 3 7 2.1783 - 2.0693 0.99 1210 135 0.1857 0.2097 REMARK 3 8 2.0693 - 1.9792 0.97 1189 133 0.1960 0.2317 REMARK 3 9 1.9792 - 1.9030 0.97 1199 133 0.2050 0.2546 REMARK 3 10 1.9030 - 1.8373 0.96 1181 128 0.2145 0.2340 REMARK 3 11 1.8373 - 1.7799 0.93 1126 129 0.2357 0.2817 REMARK 3 12 1.7799 - 1.7290 0.92 1132 124 0.2701 0.3197 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.180 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.710 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : NULL NULL REMARK 3 ANGLE : NULL NULL REMARK 3 CHIRALITY : NULL NULL REMARK 3 PLANARITY : NULL NULL REMARK 3 DIHEDRAL : NULL NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 6LH8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-DEC-19. REMARK 100 THE DEPOSITION ID IS D_1300013849. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-JUL-18 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9793 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : SCALEPACK HKL2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16266 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.729 REMARK 200 RESOLUTION RANGE LOW (A) : 41.580 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 13.30 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 41.8800 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.73 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.620 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.33 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M MAGNESIUM CHLORIDE HEXAHYDRATE, REMARK 280 25% PEG 3350, 0.1M BIS-TRIS, PH 6.4, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 4 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y+1/2,X+1/2,Z REMARK 290 4555 Y+1/2,-X+1/2,Z REMARK 290 5555 -X+1/2,Y+1/2,-Z REMARK 290 6555 X+1/2,-Y+1/2,-Z REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.39650 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.39650 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.39650 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.39650 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.39650 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.39650 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.39650 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.39650 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 207 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 377 LIES ON A SPECIAL POSITION. 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 SER A 31 REMARK 465 ASN A 32 REMARK 465 VAL A 33 REMARK 465 LEU A 156 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 218 O HOH A 314 1.77 REMARK 500 OD1 ASN A 77 O HOH A 201 1.88 REMARK 500 O HOH A 206 O HOH A 348 1.92 REMARK 500 NE2 GLN A 67 O HOH A 202 2.01 REMARK 500 OE2 GLU A 18 O HOH A 203 2.02 REMARK 500 O HOH A 279 O HOH A 372 2.03 REMARK 500 O HOH A 205 O HOH A 210 2.04 REMARK 500 O HOH A 204 O HOH A 230 2.10 REMARK 500 O HOH A 204 O HOH A 324 2.11 REMARK 500 OD1 ASP A 23 O HOH A 204 2.15 REMARK 500 OG SER A 2 O HOH A 205 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 360 O HOH A 360 8665 1.65 REMARK 500 O HOH A 204 O HOH A 233 7555 2.15 REMARK 500 O HOH A 204 O HOH A 211 7555 2.15 REMARK 500 O HOH A 204 O HOH A 358 7555 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 57 35.36 -96.23 REMARK 500 SER A 87 -26.85 -152.00 REMARK 500 REMARK 500 REMARK: NULL DBREF 6LH8 A 1 156 PDB 6LH8 6LH8 1 156 SEQRES 1 A 156 MET SER ALA SER VAL THR VAL LEU TRP ASP LYS GLU ILE SEQRES 2 A 156 GLU GLY SER ASN GLU VAL VAL LYS VAL ASP GLU MET VAL SEQRES 3 A 156 ALA SER ASN ILE SER ASN VAL LYS VAL GLU PHE TYR LEU SEQRES 4 A 156 LYS GLU ARG HIS PHE ASP ARG THR ILE THR HIS ASN ILE SEQRES 5 A 156 THR LEU PRO ARG ALA THR GLU VAL PRO ILE GLY THR GLU SEQRES 6 A 156 ILE GLN LEU GLU PRO LYS HIS ARG LEU ASN GLY ASN THR SEQRES 7 A 156 GLU PRO ILE THR PHE THR TYR GLY SER LEU GLU SER TYR SEQRES 8 A 156 THR GLU LEU SER GLU ASP LYS VAL THR MET PRO GLU PHE SEQRES 9 A 156 VAL GLU PRO LYS THR LYS LEU ILE VAL ILE LEU THR ARG SEQRES 10 A 156 ASN GLU ASN ILE THR SER ALA PRO VAL GLU ILE SER VAL SEQRES 11 A 156 GLY ASP ILE LYS GLU THR ALA THR TYR ILE CYS GLN SER SEQRES 12 A 156 GLN SER GLY ILE ASN ALA GLU VAL ASN THR GLU PRO LEU FORMUL 2 HOH *177(H2 O) HELIX 1 AA1 TRP A 9 GLU A 12 5 4 SHEET 1 AA1 5 SER A 4 VAL A 7 0 SHEET 2 AA1 5 LYS A 110 VAL A 130 -1 O SER A 129 N SER A 4 SHEET 3 AA1 5 ILE A 133 GLN A 144 -1 O GLU A 135 N ILE A 128 SHEET 4 AA1 5 GLU A 41 THR A 53 -1 N THR A 49 O GLN A 142 SHEET 5 AA1 5 SER A 90 THR A 100 -1 O TYR A 91 N HIS A 50 SHEET 1 AA2 3 ILE A 13 SER A 28 0 SHEET 2 AA2 3 LYS A 110 VAL A 130 -1 O LEU A 111 N ALA A 27 SHEET 3 AA2 3 ASN A 148 GLU A 154 -1 O GLU A 154 N LYS A 110 SHEET 1 AA3 2 GLU A 65 LEU A 68 0 SHEET 2 AA3 2 ILE A 81 THR A 84 -1 O PHE A 83 N ILE A 66 CRYST1 78.793 78.793 48.948 90.00 90.00 90.00 P 4 21 2 8 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 0.012691 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012691 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020430 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: A 17 ASN : amide:sc= 1.28 K(o=1.7,f=-5!) USER MOD Set 1.2: A 120 ASN : amide:sc= 0.39 K(o=1.7,f=-0.35) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 THR OG1 : rot -79:sc= 1.04 USER MOD Set 3.1: A 51 ASN : amide:sc= 0.0591 K(o=1.2,f=0.34) USER MOD Set 3.2: A 90 SER OG : rot 93:sc= 1.35 USER MOD Set 3.3: A 142 GLN : amide:sc= -0.18 K(o=1.2,f=-2.5!) USER MOD Set 4.1: A 67 GLN :FLIP amide:sc= -0.0973 F(o=-0.69!,f=0.96) USER MOD Set 4.2: A 82 THR OG1 : rot 106:sc= 1.06 USER MOD Set 5.1: A 50 HIS : no HD1:sc= 2.02 K(o=3.5,f=-11!) USER MOD Set 5.2: A 139 TYR OH : rot 10:sc= 1.51 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.156 (180deg=-0.548) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.075 (180deg=-0.1) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -101:sc= 1.86 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.13) USER MOD Single : A 25 MET CE :methyl -144:sc= 0 (180deg=-0.0392) USER MOD Single : A 28 SER OG : rot 180:sc= -0.101 USER MOD Single : A 29 ASN : amide:sc= -11.7! C(o=-12!,f=-17!) USER MOD Single : A 34 LYS NZ :NH3+ -113:sc= 0.774 (180deg=-0.0289) USER MOD Single : A 38 TYR OH : rot -155:sc= 1.11 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc=-0.000865 (180deg=-0.12) USER MOD Single : A 43 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.046) USER MOD Single : A 47 THR OG1 : rot -52:sc= 0.812 USER MOD Single : A 53 THR OG1 : rot -46:sc= 0.33 USER MOD Single : A 58 THR OG1 : rot 78:sc= 1.08 USER MOD Single : A 64 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 0.0818 (180deg=-0.00604) USER MOD Single : A 72 HIS : no HD1:sc= 1.62 K(o=1.6,f=-4.6!) USER MOD Single : A 75 ASN : amide:sc= 0.6 K(o=0.6,f=-0.27) USER MOD Single : A 77 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.5!) USER MOD Single : A 78 THR OG1 : rot -43:sc= 0.0292 USER MOD Single : A 84 THR OG1 : rot -142:sc= 2 USER MOD Single : A 85 TYR OH : rot -166:sc= 2.63 USER MOD Single : A 87 SER OG : rot 166:sc= 2.31 USER MOD Single : A 91 TYR OH : rot 180:sc= 1.09 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -138:sc= -0.041 (180deg=-1.19) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 62:sc= 0.183 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -87:sc= 1.34 USER MOD Single : A 118 ASN : amide:sc= 0.32 K(o=0.32,f=-2.4!) USER MOD Single : A 122 THR OG1 : rot -82:sc= 1.39 USER MOD Single : A 123 SER OG : rot 158:sc= 2.31 USER MOD Single : A 129 SER OG : rot 180:sc= -0.514 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -154:sc= 3.18 USER MOD Single : A 141 CYS SG : rot 106:sc= 0.139 USER MOD Single : A 143 SER OG : rot 91:sc= 1.05 USER MOD Single : A 144 GLN : amide:sc= 1.37 K(o=1.4,f=-2!) USER MOD Single : A 145 SER OG : rot 160:sc= 0.465 USER MOD Single : A 148 ASN : amide:sc= 0.42 X(o=0.42,f=0.11) USER MOD Single : A 152 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 153 THR OG1 : rot 40:sc= 0.0169 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.104 5.307 -10.692 1.00 49.47 N ATOM 2 CA MET A 1 44.536 6.654 -10.673 1.00 48.84 C ATOM 3 C MET A 1 44.186 7.120 -9.259 1.00 42.35 C ATOM 4 O MET A 1 43.560 8.168 -9.083 1.00 40.24 O ATOM 5 CB MET A 1 43.287 6.726 -11.551 1.00 48.55 C ATOM 6 CG MET A 1 43.522 6.354 -13.001 1.00 56.65 C ATOM 7 SD MET A 1 42.323 7.144 -14.090 1.00 73.53 S ATOM 8 CE MET A 1 42.831 8.859 -13.979 1.00 52.51 C ATOM 0 H1 MET A 1 45.333 5.093 -11.525 1.00 49.47 H new ATOM 0 H2 MET A 1 45.825 5.281 -10.171 1.00 49.47 H new ATOM 0 H3 MET A 1 44.500 4.726 -10.392 1.00 49.47 H new ATOM 0 HA MET A 1 45.220 7.246 -11.023 1.00 48.84 H new ATOM 0 HB2 MET A 1 42.611 6.136 -11.182 1.00 48.55 H new ATOM 0 HB3 MET A 1 42.929 7.627 -11.513 1.00 48.55 H new ATOM 0 HG2 MET A 1 44.419 6.616 -13.262 1.00 56.65 H new ATOM 0 HG3 MET A 1 43.467 5.391 -13.102 1.00 56.65 H new ATOM 0 HE1 MET A 1 42.553 9.331 -14.779 1.00 52.51 H new ATOM 0 HE2 MET A 1 42.419 9.269 -13.202 1.00 52.51 H new ATOM 0 HE3 MET A 1 43.796 8.906 -13.895 1.00 52.51 H new ATOM 9 N SER A 2 44.576 6.341 -8.254 1.00 38.51 N ATOM 10 CA SER A 2 44.365 6.698 -6.854 1.00 39.87 C ATOM 11 C SER A 2 45.728 6.908 -6.205 1.00 37.86 C ATOM 12 O SER A 2 46.548 5.985 -6.165 1.00 38.22 O ATOM 13 CB SER A 2 43.576 5.613 -6.119 1.00 41.70 C ATOM 14 OG SER A 2 43.076 6.093 -4.878 1.00 48.41 O ATOM 0 H SER A 2 44.973 5.586 -8.366 1.00 38.51 H new ATOM 0 HA SER A 2 43.842 7.513 -6.802 1.00 39.87 H new ATOM 0 HB2 SER A 2 42.839 5.314 -6.674 1.00 41.70 H new ATOM 0 HB3 SER A 2 44.146 4.843 -5.965 1.00 41.70 H new ATOM 0 HG SER A 2 42.646 5.482 -4.494 1.00 48.41 H new ATOM 15 N ALA A 3 45.968 8.114 -5.704 1.00 33.32 N ATOM 16 CA ALA A 3 47.287 8.421 -5.184 1.00 27.80 C ATOM 17 C ALA A 3 47.454 7.922 -3.754 1.00 27.25 C ATOM 18 O ALA A 3 46.484 7.782 -2.999 1.00 26.85 O ATOM 19 CB ALA A 3 47.537 9.924 -5.235 1.00 29.61 C ATOM 0 H ALA A 3 45.394 8.753 -5.657 1.00 33.32 H new ATOM 0 HA ALA A 3 47.936 7.965 -5.742 1.00 27.80 H new ATOM 0 HB1 ALA A 3 48.421 10.117 -4.885 1.00 29.61 H new ATOM 0 HB2 ALA A 3 47.479 10.231 -6.153 1.00 29.61 H new ATOM 0 HB3 ALA A 3 46.871 10.381 -4.699 1.00 29.61 H new ATOM 20 N SER A 4 48.706 7.643 -3.385 1.00 23.97 N ATOM 21 CA SER A 4 49.061 7.552 -1.973 1.00 25.59 C ATOM 22 C SER A 4 49.224 8.965 -1.438 1.00 24.25 C ATOM 23 O SER A 4 49.825 9.811 -2.099 1.00 26.22 O ATOM 24 CB SER A 4 50.366 6.779 -1.777 1.00 31.88 C ATOM 25 OG SER A 4 50.254 5.440 -2.193 1.00 36.12 O ATOM 0 H SER A 4 49.356 7.505 -3.931 1.00 23.97 H new ATOM 0 HA SER A 4 48.362 7.077 -1.497 1.00 25.59 H new ATOM 0 HB2 SER A 4 51.076 7.213 -2.275 1.00 31.88 H new ATOM 0 HB3 SER A 4 50.619 6.806 -0.841 1.00 31.88 H new ATOM 0 HG SER A 4 50.987 5.047 -2.073 1.00 36.12 H new ATOM 26 N VAL A 5 48.689 9.230 -0.247 1.00 22.94 N ATOM 27 CA VAL A 5 48.609 10.598 0.265 1.00 24.38 C ATOM 28 C VAL A 5 49.128 10.642 1.697 1.00 24.40 C ATOM 29 O VAL A 5 48.736 9.814 2.525 1.00 28.77 O ATOM 30 CB VAL A 5 47.167 11.138 0.215 1.00 22.79 C ATOM 31 CG1 VAL A 5 47.123 12.557 0.765 1.00 25.00 C ATOM 32 CG2 VAL A 5 46.619 11.094 -1.193 1.00 24.87 C ATOM 0 H VAL A 5 48.367 8.632 0.280 1.00 22.94 H new ATOM 0 HA VAL A 5 49.158 11.163 -0.301 1.00 24.38 H new ATOM 0 HB VAL A 5 46.607 10.570 0.768 1.00 22.79 H new ATOM 0 HG11 VAL A 5 46.213 12.890 0.730 1.00 25.00 H new ATOM 0 HG12 VAL A 5 47.432 12.558 1.684 1.00 25.00 H new ATOM 0 HG13 VAL A 5 47.696 13.129 0.231 1.00 25.00 H new ATOM 0 HG21 VAL A 5 45.712 11.438 -1.198 1.00 24.87 H new ATOM 0 HG22 VAL A 5 47.174 11.638 -1.774 1.00 24.87 H new ATOM 0 HG23 VAL A 5 46.618 10.178 -1.512 1.00 24.87 H new ATOM 33 N THR A 6 49.999 11.611 1.993 1.00 24.52 N ATOM 34 CA THR A 6 50.430 11.878 3.367 1.00 22.21 C ATOM 35 C THR A 6 50.507 13.383 3.567 1.00 24.14 C ATOM 36 O THR A 6 51.282 14.050 2.880 1.00 22.94 O ATOM 37 CB THR A 6 51.797 11.252 3.656 1.00 26.89 C ATOM 38 OG1 THR A 6 51.711 9.825 3.548 1.00 27.18 O ATOM 39 CG2 THR A 6 52.275 11.637 5.057 1.00 29.79 C ATOM 0 H THR A 6 50.354 12.129 1.406 1.00 24.52 H new ATOM 0 HA THR A 6 49.788 11.484 3.978 1.00 22.21 H new ATOM 0 HB THR A 6 52.435 11.586 3.006 1.00 26.89 H new ATOM 0 HG1 THR A 6 52.463 9.486 3.706 1.00 27.18 H new ATOM 0 HG21 THR A 6 53.141 11.234 5.226 1.00 29.79 H new ATOM 0 HG22 THR A 6 52.350 12.602 5.120 1.00 29.79 H new ATOM 0 HG23 THR A 6 51.637 11.320 5.715 1.00 29.79 H new ATOM 40 N VAL A 7 49.716 13.924 4.493 1.00 21.94 N ATOM 41 CA VAL A 7 49.760 15.358 4.777 1.00 24.07 C ATOM 42 C VAL A 7 50.842 15.603 5.819 1.00 23.40 C ATOM 43 O VAL A 7 50.912 14.887 6.826 1.00 24.07 O ATOM 44 CB VAL A 7 48.397 15.879 5.265 1.00 22.27 C ATOM 45 CG1 VAL A 7 48.478 17.386 5.520 1.00 21.80 C ATOM 46 CG2 VAL A 7 47.317 15.583 4.248 1.00 25.57 C ATOM 0 H VAL A 7 49.150 13.481 4.965 1.00 21.94 H new ATOM 0 HA VAL A 7 49.967 15.843 3.963 1.00 24.07 H new ATOM 0 HB VAL A 7 48.171 15.426 6.092 1.00 22.27 H new ATOM 0 HG11 VAL A 7 47.617 17.709 5.827 1.00 21.80 H new ATOM 0 HG12 VAL A 7 49.150 17.564 6.197 1.00 21.80 H new ATOM 0 HG13 VAL A 7 48.719 17.841 4.698 1.00 21.80 H new ATOM 0 HG21 VAL A 7 46.466 15.918 4.572 1.00 25.57 H new ATOM 0 HG22 VAL A 7 47.536 16.016 3.408 1.00 25.57 H new ATOM 0 HG23 VAL A 7 47.255 14.625 4.111 1.00 25.57 H new ATOM 47 N LEU A 8 51.699 16.606 5.571 1.00 19.63 N ATOM 48 CA LEU A 8 52.780 16.962 6.499 1.00 19.84 C ATOM 49 C LEU A 8 52.271 18.030 7.466 1.00 23.05 C ATOM 50 O LEU A 8 52.590 19.218 7.373 1.00 22.10 O ATOM 51 CB LEU A 8 54.018 17.427 5.745 1.00 21.63 C ATOM 52 CG LEU A 8 54.489 16.562 4.560 1.00 24.13 C ATOM 53 CD1 LEU A 8 55.805 17.061 4.000 1.00 27.50 C ATOM 54 CD2 LEU A 8 54.596 15.083 4.956 1.00 26.80 C ATOM 0 H LEU A 8 51.668 17.095 4.864 1.00 19.63 H new ATOM 0 HA LEU A 8 53.043 16.179 7.007 1.00 19.84 H new ATOM 0 HB2 LEU A 8 53.849 18.323 5.414 1.00 21.63 H new ATOM 0 HB3 LEU A 8 54.749 17.492 6.379 1.00 21.63 H new ATOM 0 HG LEU A 8 53.818 16.639 3.863 1.00 24.13 H new ATOM 0 HD11 LEU A 8 56.075 16.498 3.258 1.00 27.50 H new ATOM 0 HD12 LEU A 8 55.700 17.975 3.691 1.00 27.50 H new ATOM 0 HD13 LEU A 8 56.484 17.030 4.692 1.00 27.50 H new ATOM 0 HD21 LEU A 8 54.894 14.564 4.192 1.00 26.80 H new ATOM 0 HD22 LEU A 8 55.234 14.987 5.680 1.00 26.80 H new ATOM 0 HD23 LEU A 8 53.728 14.762 5.246 1.00 26.80 H new ATOM 55 N TRP A 9 51.484 17.568 8.441 1.00 20.88 N ATOM 56 CA TRP A 9 50.847 18.484 9.378 1.00 23.33 C ATOM 57 C TRP A 9 51.869 19.239 10.216 1.00 23.19 C ATOM 58 O TRP A 9 51.601 20.371 10.646 1.00 21.58 O ATOM 59 CB TRP A 9 49.891 17.713 10.284 1.00 25.62 C ATOM 60 CG TRP A 9 48.704 17.113 9.594 1.00 26.49 C ATOM 61 CD1 TRP A 9 48.381 15.785 9.523 1.00 27.04 C ATOM 62 CD2 TRP A 9 47.662 17.818 8.900 1.00 22.76 C ATOM 63 NE1 TRP A 9 47.206 15.622 8.815 1.00 28.15 N ATOM 64 CE2 TRP A 9 46.745 16.853 8.428 1.00 23.95 C ATOM 65 CE3 TRP A 9 47.423 19.167 8.622 1.00 22.63 C ATOM 66 CZ2 TRP A 9 45.604 17.197 7.699 1.00 24.99 C ATOM 67 CZ3 TRP A 9 46.281 19.507 7.902 1.00 26.36 C ATOM 68 CH2 TRP A 9 45.389 18.524 7.451 1.00 25.45 C ATOM 0 H TRP A 9 51.310 16.736 8.573 1.00 20.88 H new ATOM 0 HA TRP A 9 50.351 19.140 8.863 1.00 23.33 H new ATOM 0 HB2 TRP A 9 50.385 17.003 10.723 1.00 25.62 H new ATOM 0 HB3 TRP A 9 49.575 18.310 10.980 1.00 25.62 H new ATOM 0 HD1 TRP A 9 48.879 15.094 9.896 1.00 27.04 H new ATOM 0 HE1 TRP A 9 46.825 14.870 8.645 1.00 28.15 H new ATOM 0 HE3 TRP A 9 48.014 19.824 8.912 1.00 22.63 H new ATOM 0 HZ2 TRP A 9 45.013 16.547 7.394 1.00 24.99 H new ATOM 0 HZ3 TRP A 9 46.107 20.402 7.717 1.00 26.36 H new ATOM 0 HH2 TRP A 9 44.634 18.780 6.972 1.00 25.45 H new ATOM 69 N ASP A 10 53.051 18.648 10.457 1.00 23.65 N ATOM 70 CA ASP A 10 54.034 19.391 11.240 1.00 28.65 C ATOM 71 C ASP A 10 54.610 20.572 10.473 1.00 23.48 C ATOM 72 O ASP A 10 55.295 21.406 11.078 1.00 22.68 O ATOM 73 CB ASP A 10 55.170 18.479 11.728 1.00 31.29 C ATOM 74 CG ASP A 10 56.034 17.940 10.607 1.00 35.98 C ATOM 75 OD1 ASP A 10 55.501 17.630 9.520 1.00 36.40 O ATOM 76 OD2 ASP A 10 57.254 17.792 10.825 1.00 45.01 O ATOM 0 H ASP A 10 53.288 17.865 10.192 1.00 23.65 H new ATOM 0 HA ASP A 10 53.560 19.739 12.011 1.00 28.65 H new ATOM 0 HB2 ASP A 10 55.728 18.973 12.348 1.00 31.29 H new ATOM 0 HB3 ASP A 10 54.789 17.735 12.220 1.00 31.29 H new ATOM 77 N LYS A 11 54.355 20.662 9.167 1.00 19.82 N ATOM 78 CA LYS A 11 54.787 21.784 8.344 1.00 20.17 C ATOM 79 C LYS A 11 53.669 22.795 8.097 1.00 17.97 C ATOM 80 O LYS A 11 53.806 23.650 7.211 1.00 19.81 O ATOM 81 CB LYS A 11 55.330 21.278 7.008 1.00 18.60 C ATOM 82 CG LYS A 11 56.633 20.487 7.114 1.00 21.44 C ATOM 83 CD LYS A 11 57.759 21.391 7.614 1.00 26.38 C ATOM 84 CE LYS A 11 59.096 20.658 7.698 1.00 32.48 C ATOM 85 NZ LYS A 11 60.095 21.412 8.520 1.00 32.98 N ATOM 0 H LYS A 11 53.919 20.062 8.731 1.00 19.82 H new ATOM 0 HA LYS A 11 55.488 22.241 8.834 1.00 20.17 H new ATOM 0 HB2 LYS A 11 54.658 20.718 6.590 1.00 18.60 H new ATOM 0 HB3 LYS A 11 55.472 22.037 6.421 1.00 18.60 H new ATOM 0 HG2 LYS A 11 56.517 19.739 7.720 1.00 21.44 H new ATOM 0 HG3 LYS A 11 56.866 20.117 6.248 1.00 21.44 H new ATOM 0 HD2 LYS A 11 57.847 22.153 7.020 1.00 26.38 H new ATOM 0 HD3 LYS A 11 57.527 21.739 8.489 1.00 26.38 H new ATOM 0 HE2 LYS A 11 58.959 19.778 8.083 1.00 32.48 H new ATOM 0 HE3 LYS A 11 59.448 20.524 6.804 1.00 32.48 H new ATOM 0 HZ1 LYS A 11 60.860 20.958 8.548 1.00 32.98 H new ATOM 0 HZ2 LYS A 11 60.238 22.211 8.155 1.00 32.98 H new ATOM 0 HZ3 LYS A 11 59.782 21.516 9.347 1.00 32.98 H new ATOM 86 N GLU A 12 52.578 22.713 8.862 1.00 19.80 N ATOM 87 CA GLU A 12 51.418 23.579 8.665 1.00 17.57 C ATOM 88 C GLU A 12 51.781 25.048 8.850 1.00 19.43 C ATOM 89 O GLU A 12 52.529 25.410 9.764 1.00 19.36 O ATOM 90 CB GLU A 12 50.311 23.193 9.646 1.00 22.80 C ATOM 91 CG GLU A 12 49.080 24.090 9.579 1.00 25.83 C ATOM 92 CD GLU A 12 47.921 23.547 10.380 1.00 31.51 C ATOM 93 OE1 GLU A 12 47.308 22.553 9.942 1.00 32.35 O ATOM 94 OE2 GLU A 12 47.623 24.122 11.448 1.00 35.07 O ATOM 0 H GLU A 12 52.492 22.153 9.509 1.00 19.80 H new ATOM 0 HA GLU A 12 51.106 23.459 7.755 1.00 17.57 H new ATOM 0 HB2 GLU A 12 50.042 22.277 9.472 1.00 22.80 H new ATOM 0 HB3 GLU A 12 50.668 23.217 10.548 1.00 22.80 H new ATOM 0 HG2 GLU A 12 49.310 24.973 9.907 1.00 25.83 H new ATOM 0 HG3 GLU A 12 48.809 24.193 8.653 1.00 25.83 H new ATOM 95 N ILE A 13 51.231 25.895 7.979 1.00 16.61 N ATOM 96 CA ILE A 13 51.431 27.342 8.008 1.00 17.19 C ATOM 97 C ILE A 13 50.172 27.974 8.578 1.00 22.35 C ATOM 98 O ILE A 13 49.051 27.621 8.179 1.00 20.55 O ATOM 99 CB ILE A 13 51.725 27.903 6.604 1.00 19.48 C ATOM 100 CG1 ILE A 13 53.046 27.343 6.069 1.00 18.56 C ATOM 101 CG2 ILE A 13 51.711 29.457 6.618 1.00 20.86 C ATOM 102 CD1 ILE A 13 53.241 27.593 4.538 1.00 22.16 C ATOM 0 H ILE A 13 50.718 25.636 7.339 1.00 16.61 H new ATOM 0 HA ILE A 13 52.200 27.551 8.561 1.00 17.19 H new ATOM 0 HB ILE A 13 51.023 27.617 5.999 1.00 19.48 H new ATOM 0 HG12 ILE A 13 53.783 27.747 6.554 1.00 18.56 H new ATOM 0 HG13 ILE A 13 53.081 26.389 6.243 1.00 18.56 H new ATOM 0 HG21 ILE A 13 51.898 29.791 5.727 1.00 20.86 H new ATOM 0 HG22 ILE A 13 50.839 29.770 6.904 1.00 20.86 H new ATOM 0 HG23 ILE A 13 52.388 29.781 7.233 1.00 20.86 H new ATOM 0 HD11 ILE A 13 54.090 27.219 4.254 1.00 22.16 H new ATOM 0 HD12 ILE A 13 52.521 27.168 4.046 1.00 22.16 H new ATOM 0 HD13 ILE A 13 53.233 28.547 4.362 1.00 22.16 H new ATOM 103 N GLU A 14 50.352 28.914 9.507 1.00 20.34 N ATOM 104 CA GLU A 14 49.248 29.705 10.046 1.00 23.82 C ATOM 105 C GLU A 14 49.030 30.887 9.110 1.00 23.51 C ATOM 106 O GLU A 14 49.786 31.861 9.130 1.00 28.01 O ATOM 107 CB GLU A 14 49.565 30.155 11.471 1.00 27.22 C ATOM 108 CG GLU A 14 48.519 31.047 12.119 1.00 29.42 C ATOM 109 CD GLU A 14 48.949 31.519 13.504 1.00 32.25 C ATOM 110 OE1 GLU A 14 50.167 31.727 13.715 1.00 29.26 O ATOM 111 OE2 GLU A 14 48.074 31.662 14.382 1.00 32.38 O ATOM 0 H GLU A 14 51.119 29.110 9.842 1.00 20.34 H new ATOM 0 HA GLU A 14 48.434 29.180 10.096 1.00 23.82 H new ATOM 0 HB2 GLU A 14 49.684 29.367 12.024 1.00 27.22 H new ATOM 0 HB3 GLU A 14 50.412 30.628 11.464 1.00 27.22 H new ATOM 0 HG2 GLU A 14 48.356 31.817 11.552 1.00 29.42 H new ATOM 0 HG3 GLU A 14 47.681 30.563 12.189 1.00 29.42 H new ATOM 112 N GLY A 15 48.010 30.798 8.263 1.00 23.15 N ATOM 113 CA GLY A 15 47.661 31.921 7.421 1.00 25.27 C ATOM 114 C GLY A 15 46.784 32.862 8.225 1.00 26.89 C ATOM 115 O GLY A 15 46.992 33.031 9.428 1.00 36.29 O ATOM 0 H GLY A 15 47.515 30.101 8.165 1.00 23.15 H new ATOM 0 HA2 GLY A 15 48.461 32.379 7.119 1.00 25.27 H new ATOM 0 HA3 GLY A 15 47.192 31.617 6.628 1.00 25.27 H new ATOM 116 N SER A 16 45.797 33.458 7.580 1.00 30.79 N ATOM 117 CA SER A 16 44.941 34.434 8.239 1.00 29.82 C ATOM 118 C SER A 16 44.350 33.872 9.532 1.00 28.34 C ATOM 119 O SER A 16 43.977 32.699 9.610 1.00 29.06 O ATOM 120 CB SER A 16 43.840 34.840 7.260 1.00 29.93 C ATOM 121 OG SER A 16 43.028 35.858 7.790 1.00 37.23 O ATOM 0 H SER A 16 45.603 33.312 6.755 1.00 30.79 H new ATOM 0 HA SER A 16 45.464 35.212 8.488 1.00 29.82 H new ATOM 0 HB2 SER A 16 44.240 35.143 6.430 1.00 29.93 H new ATOM 0 HB3 SER A 16 43.294 34.067 7.047 1.00 29.93 H new ATOM 0 HG SER A 16 42.313 35.525 8.078 1.00 37.23 H new ATOM 122 N ASN A 17 44.308 34.706 10.570 1.00 26.45 N ATOM 123 CA ASN A 17 43.739 34.314 11.860 1.00 24.74 C ATOM 124 C ASN A 17 43.074 35.560 12.425 1.00 25.49 C ATOM 125 O ASN A 17 43.769 36.526 12.728 1.00 23.66 O ATOM 126 CB ASN A 17 44.822 33.779 12.804 1.00 26.64 C ATOM 127 CG ASN A 17 44.261 33.286 14.137 1.00 36.12 C ATOM 128 OD1 ASN A 17 43.248 33.791 14.628 1.00 36.83 O ATOM 129 ND2 ASN A 17 44.922 32.286 14.729 1.00 39.08 N ATOM 0 H ASN A 17 44.607 35.512 10.547 1.00 26.45 H new ATOM 0 HA ASN A 17 43.097 33.594 11.757 1.00 24.74 H new ATOM 0 HB2 ASN A 17 45.293 33.052 12.368 1.00 26.64 H new ATOM 0 HB3 ASN A 17 45.473 34.479 12.971 1.00 26.64 H new ATOM 0 HD21 ASN A 17 44.644 31.972 15.480 1.00 39.08 H new ATOM 0 HD22 ASN A 17 45.625 31.957 14.359 1.00 39.08 H new ATOM 130 N GLU A 18 41.745 35.553 12.541 1.00 23.33 N ATOM 131 CA GLU A 18 41.013 36.745 12.960 1.00 19.78 C ATOM 132 C GLU A 18 39.829 36.359 13.833 1.00 22.04 C ATOM 133 O GLU A 18 39.246 35.280 13.687 1.00 22.21 O ATOM 134 CB GLU A 18 40.476 37.544 11.763 1.00 24.74 C ATOM 135 CG GLU A 18 41.518 38.021 10.771 1.00 33.05 C ATOM 136 CD GLU A 18 40.926 38.264 9.397 1.00 40.17 C ATOM 137 OE1 GLU A 18 39.772 37.830 9.170 1.00 42.85 O ATOM 138 OE2 GLU A 18 41.603 38.896 8.551 1.00 42.02 O ATOM 0 H GLU A 18 41.251 34.868 12.381 1.00 23.33 H new ATOM 0 HA GLU A 18 41.641 37.296 13.453 1.00 19.78 H new ATOM 0 HB2 GLU A 18 39.832 36.994 11.291 1.00 24.74 H new ATOM 0 HB3 GLU A 18 39.996 38.317 12.100 1.00 24.74 H new ATOM 0 HG2 GLU A 18 41.923 38.840 11.097 1.00 33.05 H new ATOM 0 HG3 GLU A 18 42.226 37.361 10.705 1.00 33.05 H new ATOM 139 N VAL A 19 39.477 37.258 14.741 1.00 17.82 N ATOM 140 CA VAL A 19 38.213 37.186 15.455 1.00 19.15 C ATOM 141 C VAL A 19 37.271 38.159 14.762 1.00 19.96 C ATOM 142 O VAL A 19 37.489 39.380 14.766 1.00 18.71 O ATOM 143 CB VAL A 19 38.363 37.512 16.946 1.00 19.32 C ATOM 144 CG1 VAL A 19 36.986 37.433 17.623 1.00 21.02 C ATOM 145 CG2 VAL A 19 39.343 36.556 17.590 1.00 23.06 C ATOM 0 H VAL A 19 39.967 37.930 14.961 1.00 17.82 H new ATOM 0 HA VAL A 19 37.864 36.281 15.429 1.00 19.15 H new ATOM 0 HB VAL A 19 38.711 38.411 17.052 1.00 19.32 H new ATOM 0 HG11 VAL A 19 37.077 37.639 18.567 1.00 21.02 H new ATOM 0 HG12 VAL A 19 36.385 38.072 17.210 1.00 21.02 H new ATOM 0 HG13 VAL A 19 36.626 36.538 17.521 1.00 21.02 H new ATOM 0 HG21 VAL A 19 39.432 36.769 18.532 1.00 23.06 H new ATOM 0 HG22 VAL A 19 39.019 35.647 17.494 1.00 23.06 H new ATOM 0 HG23 VAL A 19 40.207 36.638 17.158 1.00 23.06 H new ATOM 146 N VAL A 20 36.231 37.615 14.140 1.00 19.11 N ATOM 147 CA VAL A 20 35.345 38.377 13.266 1.00 18.01 C ATOM 148 C VAL A 20 34.086 38.750 14.037 1.00 20.58 C ATOM 149 O VAL A 20 33.431 37.877 14.621 1.00 19.14 O ATOM 150 CB VAL A 20 34.987 37.557 12.013 1.00 21.33 C ATOM 151 CG1 VAL A 20 34.018 38.320 11.119 1.00 25.91 C ATOM 152 CG2 VAL A 20 36.267 37.162 11.250 1.00 24.96 C ATOM 0 H VAL A 20 36.017 36.785 14.214 1.00 19.11 H new ATOM 0 HA VAL A 20 35.796 39.185 12.975 1.00 18.01 H new ATOM 0 HB VAL A 20 34.540 36.743 12.294 1.00 21.33 H new ATOM 0 HG11 VAL A 20 33.808 37.784 10.338 1.00 25.91 H new ATOM 0 HG12 VAL A 20 33.203 38.508 11.611 1.00 25.91 H new ATOM 0 HG13 VAL A 20 34.425 39.154 10.838 1.00 25.91 H new ATOM 0 HG21 VAL A 20 36.029 36.646 10.464 1.00 24.96 H new ATOM 0 HG22 VAL A 20 36.743 37.963 10.979 1.00 24.96 H new ATOM 0 HG23 VAL A 20 36.836 36.628 11.826 1.00 24.96 H new ATOM 153 N LYS A 21 33.726 40.034 14.013 1.00 21.61 N ATOM 154 CA LYS A 21 32.421 40.463 14.517 1.00 19.55 C ATOM 155 C LYS A 21 31.379 40.142 13.453 1.00 21.34 C ATOM 156 O LYS A 21 31.342 40.776 12.390 1.00 23.23 O ATOM 157 CB LYS A 21 32.419 41.949 14.865 1.00 22.59 C ATOM 158 CG LYS A 21 31.055 42.445 15.407 1.00 18.22 C ATOM 159 CD LYS A 21 31.156 43.906 15.801 1.00 24.63 C ATOM 160 CE LYS A 21 29.836 44.437 16.334 1.00 28.07 C ATOM 161 NZ LYS A 21 29.959 45.887 16.685 1.00 31.38 N ATOM 0 H LYS A 21 34.220 40.669 13.710 1.00 21.61 H new ATOM 0 HA LYS A 21 32.213 39.990 15.338 1.00 19.55 H new ATOM 0 HB2 LYS A 21 33.106 42.121 15.528 1.00 22.59 H new ATOM 0 HB3 LYS A 21 32.652 42.461 14.075 1.00 22.59 H new ATOM 0 HG2 LYS A 21 30.369 42.331 14.731 1.00 18.22 H new ATOM 0 HG3 LYS A 21 30.790 41.913 16.173 1.00 18.22 H new ATOM 0 HD2 LYS A 21 31.844 44.012 16.476 1.00 24.63 H new ATOM 0 HD3 LYS A 21 31.429 44.431 15.032 1.00 24.63 H new ATOM 0 HE2 LYS A 21 29.140 44.317 15.669 1.00 28.07 H new ATOM 0 HE3 LYS A 21 29.570 43.930 17.117 1.00 28.07 H new ATOM 0 HZ1 LYS A 21 29.176 46.188 16.982 1.00 31.38 H new ATOM 0 HZ2 LYS A 21 30.575 45.988 17.319 1.00 31.38 H new ATOM 0 HZ3 LYS A 21 30.199 46.348 15.963 1.00 31.38 H new ATOM 162 N VAL A 22 30.535 39.152 13.732 1.00 21.96 N ATOM 163 CA VAL A 22 29.511 38.750 12.772 1.00 20.65 C ATOM 164 C VAL A 22 28.352 39.746 12.766 1.00 24.61 C ATOM 165 O VAL A 22 27.813 40.084 11.701 1.00 25.14 O ATOM 166 CB VAL A 22 29.045 37.316 13.095 1.00 24.79 C ATOM 167 CG1 VAL A 22 27.833 36.931 12.255 1.00 27.00 C ATOM 168 CG2 VAL A 22 30.202 36.331 12.876 1.00 23.68 C ATOM 0 H VAL A 22 30.538 38.703 14.466 1.00 21.96 H new ATOM 0 HA VAL A 22 29.884 38.753 11.877 1.00 20.65 H new ATOM 0 HB VAL A 22 28.776 37.279 14.026 1.00 24.79 H new ATOM 0 HG11 VAL A 22 27.560 36.027 12.476 1.00 27.00 H new ATOM 0 HG12 VAL A 22 27.103 37.543 12.440 1.00 27.00 H new ATOM 0 HG13 VAL A 22 28.063 36.978 11.314 1.00 27.00 H new ATOM 0 HG21 VAL A 22 29.904 35.431 13.080 1.00 23.68 H new ATOM 0 HG22 VAL A 22 30.492 36.373 11.951 1.00 23.68 H new ATOM 0 HG23 VAL A 22 30.942 36.566 13.458 1.00 23.68 H new ATOM 169 N ASP A 23 27.951 40.232 13.938 1.00 20.63 N ATOM 170 CA ASP A 23 26.812 41.142 14.046 1.00 22.02 C ATOM 171 C ASP A 23 26.748 41.677 15.469 1.00 26.16 C ATOM 172 O ASP A 23 27.404 41.156 16.374 1.00 23.06 O ATOM 173 CB ASP A 23 25.488 40.447 13.678 1.00 24.83 C ATOM 174 CG ASP A 23 24.390 41.443 13.304 1.00 24.60 C ATOM 175 OD1 ASP A 23 24.700 42.640 13.152 1.00 23.15 O ATOM 176 OD2 ASP A 23 23.224 41.030 13.146 1.00 27.89 O ATOM 0 H ASP A 23 28.328 40.046 14.688 1.00 20.63 H new ATOM 0 HA ASP A 23 26.936 41.871 13.418 1.00 22.02 H new ATOM 0 HB2 ASP A 23 25.639 39.842 12.935 1.00 24.83 H new ATOM 0 HB3 ASP A 23 25.190 39.907 14.427 1.00 24.83 H new ATOM 177 N GLU A 24 25.936 42.727 15.650 1.00 22.77 N ATOM 178 CA GLU A 24 25.537 43.223 16.958 1.00 25.28 C ATOM 179 C GLU A 24 24.024 43.429 16.979 1.00 27.81 C ATOM 180 O GLU A 24 23.415 43.765 15.960 1.00 29.76 O ATOM 181 CB GLU A 24 26.246 44.531 17.315 1.00 27.75 C ATOM 182 CG GLU A 24 25.952 45.683 16.368 1.00 30.41 C ATOM 183 CD GLU A 24 26.467 47.017 16.888 1.00 38.95 C ATOM 184 OE1 GLU A 24 27.445 47.019 17.673 1.00 37.24 O ATOM 185 OE2 GLU A 24 25.894 48.064 16.500 1.00 39.16 O ATOM 0 H GLU A 24 25.599 43.175 14.997 1.00 22.77 H new ATOM 0 HA GLU A 24 25.794 42.563 17.621 1.00 25.28 H new ATOM 0 HB2 GLU A 24 25.988 44.791 18.213 1.00 27.75 H new ATOM 0 HB3 GLU A 24 27.203 44.374 17.329 1.00 27.75 H new ATOM 0 HG2 GLU A 24 26.356 45.499 15.505 1.00 30.41 H new ATOM 0 HG3 GLU A 24 24.994 45.744 16.226 1.00 30.41 H new ATOM 186 N MET A 25 23.417 43.197 18.145 1.00 29.31 N ATOM 187 CA MET A 25 21.996 43.467 18.364 1.00 28.66 C ATOM 188 C MET A 25 21.861 44.282 19.644 1.00 30.51 C ATOM 189 O MET A 25 22.388 43.879 20.683 1.00 33.41 O ATOM 190 CB MET A 25 21.184 42.163 18.485 1.00 32.00 C ATOM 191 CG MET A 25 21.406 41.145 17.366 1.00 32.95 C ATOM 192 SD MET A 25 20.660 39.519 17.673 1.00 31.80 S ATOM 193 CE MET A 25 18.948 39.864 17.282 1.00 34.82 C ATOM 0 H MET A 25 23.821 42.877 18.834 1.00 29.31 H new ATOM 0 HA MET A 25 21.644 43.957 17.604 1.00 28.66 H new ATOM 0 HB2 MET A 25 21.401 41.742 19.332 1.00 32.00 H new ATOM 0 HB3 MET A 25 20.241 42.389 18.514 1.00 32.00 H new ATOM 0 HG2 MET A 25 21.044 41.504 16.541 1.00 32.95 H new ATOM 0 HG3 MET A 25 22.360 41.031 17.232 1.00 32.95 H new ATOM 0 HE1 MET A 25 18.372 39.363 17.881 1.00 34.82 H new ATOM 0 HE2 MET A 25 18.777 40.813 17.388 1.00 34.82 H new ATOM 0 HE3 MET A 25 18.766 39.603 16.366 1.00 34.82 H new ATOM 194 N VAL A 26 21.149 45.417 19.583 1.00 36.81 N ATOM 195 CA VAL A 26 21.052 46.312 20.734 1.00 41.12 C ATOM 196 C VAL A 26 19.594 46.523 21.140 1.00 42.25 C ATOM 197 O VAL A 26 18.687 46.506 20.302 1.00 37.09 O ATOM 198 CB VAL A 26 21.742 47.665 20.454 1.00 41.07 C ATOM 199 CG1 VAL A 26 20.901 48.528 19.522 1.00 45.78 C ATOM 200 CG2 VAL A 26 22.020 48.388 21.754 1.00 47.75 C ATOM 0 H VAL A 26 20.719 45.681 18.886 1.00 36.81 H new ATOM 0 HA VAL A 26 21.516 45.890 21.474 1.00 41.12 H new ATOM 0 HB VAL A 26 22.587 47.491 20.010 1.00 41.07 H new ATOM 0 HG11 VAL A 26 21.355 49.370 19.362 1.00 45.78 H new ATOM 0 HG12 VAL A 26 20.773 48.065 18.679 1.00 45.78 H new ATOM 0 HG13 VAL A 26 20.038 48.699 19.930 1.00 45.78 H new ATOM 0 HG21 VAL A 26 22.453 49.236 21.567 1.00 47.75 H new ATOM 0 HG22 VAL A 26 21.185 48.548 22.220 1.00 47.75 H new ATOM 0 HG23 VAL A 26 22.601 47.844 22.309 1.00 47.75 H new ATOM 201 N ALA A 27 19.374 46.713 22.447 1.00 46.13 N ATOM 202 CA ALA A 27 18.043 46.977 22.993 1.00 46.87 C ATOM 203 C ALA A 27 18.166 47.710 24.326 1.00 50.58 C ATOM 204 O ALA A 27 19.159 47.552 25.044 1.00 50.44 O ATOM 205 CB ALA A 27 17.251 45.677 23.177 1.00 46.84 C ATOM 0 H ALA A 27 19.996 46.692 23.040 1.00 46.13 H new ATOM 0 HA ALA A 27 17.561 47.534 22.362 1.00 46.87 H new ATOM 0 HB1 ALA A 27 16.375 45.880 23.539 1.00 46.84 H new ATOM 0 HB2 ALA A 27 17.151 45.235 22.320 1.00 46.84 H new ATOM 0 HB3 ALA A 27 17.726 45.093 23.789 1.00 46.84 H new ATOM 206 N SER A 28 17.131 48.493 24.661 1.00 52.07 N ATOM 207 CA SER A 28 17.112 49.324 25.863 1.00 53.43 C ATOM 208 C SER A 28 15.805 49.143 26.630 1.00 53.43 C ATOM 209 O SER A 28 14.749 48.893 26.041 1.00 48.62 O ATOM 210 CB SER A 28 17.300 50.808 25.521 1.00 54.67 C ATOM 211 OG SER A 28 18.575 51.050 24.948 1.00 52.52 O ATOM 0 H SER A 28 16.415 48.554 24.188 1.00 52.07 H new ATOM 0 HA SER A 28 17.852 49.037 26.420 1.00 53.43 H new ATOM 0 HB2 SER A 28 16.607 51.089 24.903 1.00 54.67 H new ATOM 0 HB3 SER A 28 17.198 51.342 26.324 1.00 54.67 H new ATOM 0 HG SER A 28 18.652 51.867 24.769 1.00 52.52 H new ATOM 212 N ASN A 29 15.882 49.315 27.954 1.00 57.35 N ATOM 213 CA ASN A 29 14.804 48.969 28.876 1.00 58.56 C ATOM 214 C ASN A 29 14.505 50.123 29.831 1.00 61.06 C ATOM 215 O ASN A 29 15.279 51.073 29.973 1.00 58.67 O ATOM 216 CB ASN A 29 15.161 47.708 29.679 1.00 56.07 C ATOM 217 CG ASN A 29 13.994 47.172 30.493 1.00 59.90 C ATOM 218 OD1 ASN A 29 12.939 47.796 30.587 1.00 62.35 O ATOM 219 ND2 ASN A 29 14.184 46.011 31.088 1.00 60.38 N ATOM 0 H ASN A 29 16.575 49.642 28.344 1.00 57.35 H new ATOM 0 HA ASN A 29 14.010 48.793 28.347 1.00 58.56 H new ATOM 0 HB2 ASN A 29 15.467 47.018 29.069 1.00 56.07 H new ATOM 0 HB3 ASN A 29 15.900 47.908 30.275 1.00 56.07 H new ATOM 0 HD21 ASN A 29 13.557 45.664 31.563 1.00 60.38 H new ATOM 0 HD22 ASN A 29 14.935 45.601 31.001 1.00 60.38 H new ATOM 220 N ILE A 30 13.363 50.008 30.508 1.00 60.83 N ATOM 221 CA ILE A 30 12.907 51.008 31.462 1.00 62.55 C ATOM 222 C ILE A 30 11.863 50.433 32.423 1.00 56.80 C ATOM 223 O ILE A 30 11.751 49.217 32.594 1.00 60.58 O ATOM 224 CB ILE A 30 12.344 52.236 30.732 1.00 64.37 C ATOM 225 CG1 ILE A 30 12.251 53.417 31.699 1.00 62.24 C ATOM 226 CG2 ILE A 30 10.991 51.910 30.085 1.00 57.78 C ATOM 227 CD1 ILE A 30 13.590 54.052 31.996 1.00 60.79 C ATOM 0 H ILE A 30 12.829 49.340 30.423 1.00 60.83 H new ATOM 0 HA ILE A 30 13.675 51.283 31.987 1.00 62.55 H new ATOM 0 HB ILE A 30 12.946 52.487 30.014 1.00 64.37 H new ATOM 0 HG12 ILE A 30 11.658 54.087 31.325 1.00 62.24 H new ATOM 0 HG13 ILE A 30 11.851 53.116 32.530 1.00 62.24 H new ATOM 0 HG21 ILE A 30 10.652 52.696 29.630 1.00 57.78 H new ATOM 0 HG22 ILE A 30 11.103 51.190 29.445 1.00 57.78 H new ATOM 0 HG23 ILE A 30 10.361 51.638 30.771 1.00 57.78 H new ATOM 0 HD11 ILE A 30 13.468 54.792 32.612 1.00 60.79 H new ATOM 0 HD12 ILE A 30 14.179 53.393 32.395 1.00 60.79 H new ATOM 0 HD13 ILE A 30 13.983 54.379 31.172 1.00 60.79 H new ATOM 228 N LYS A 34 10.743 45.457 31.995 1.00 65.37 N ATOM 229 CA LYS A 34 11.547 44.293 31.659 1.00 64.70 C ATOM 230 C LYS A 34 10.967 43.535 30.461 1.00 65.83 C ATOM 231 O LYS A 34 10.274 42.533 30.649 1.00 65.83 O ATOM 232 CB LYS A 34 11.657 43.355 32.880 1.00 63.96 C ATOM 233 CG LYS A 34 12.632 42.198 32.709 1.00 62.21 C ATOM 234 CD LYS A 34 12.392 41.128 33.762 1.00 61.04 C ATOM 235 CE LYS A 34 11.579 39.978 33.203 1.00 61.16 C ATOM 236 NZ LYS A 34 12.197 38.662 33.522 1.00 62.81 N ATOM 0 HA LYS A 34 12.432 44.604 31.412 1.00 64.70 H new ATOM 0 HB2 LYS A 34 11.927 43.878 33.651 1.00 63.96 H new ATOM 0 HB3 LYS A 34 10.778 42.995 33.076 1.00 63.96 H new ATOM 0 HG2 LYS A 34 12.533 41.814 31.824 1.00 62.21 H new ATOM 0 HG3 LYS A 34 13.543 42.525 32.776 1.00 62.21 H new ATOM 0 HD2 LYS A 34 13.243 40.796 34.089 1.00 61.04 H new ATOM 0 HD3 LYS A 34 11.928 41.516 34.521 1.00 61.04 H new ATOM 0 HE2 LYS A 34 10.680 40.010 33.566 1.00 61.16 H new ATOM 0 HE3 LYS A 34 11.500 40.074 32.241 1.00 61.16 H new ATOM 0 HZ1 LYS A 34 12.483 38.279 32.772 1.00 62.81 H new ATOM 0 HZ2 LYS A 34 12.885 38.783 34.074 1.00 62.81 H new ATOM 0 HZ3 LYS A 34 11.593 38.137 33.911 1.00 62.81 H new ATOM 237 N VAL A 35 11.263 43.997 29.257 1.00 65.43 N ATOM 238 CA VAL A 35 10.745 43.392 28.038 1.00 62.87 C ATOM 239 C VAL A 35 11.606 42.200 27.656 1.00 63.08 C ATOM 240 O VAL A 35 12.811 42.161 27.902 1.00 66.29 O ATOM 241 CB VAL A 35 10.691 44.423 26.895 1.00 64.58 C ATOM 242 CG1 VAL A 35 9.799 43.904 25.769 1.00 65.99 C ATOM 243 CG2 VAL A 35 10.236 45.760 27.412 1.00 67.88 C ATOM 0 H VAL A 35 11.774 44.675 29.121 1.00 65.43 H new ATOM 0 HA VAL A 35 9.839 43.085 28.198 1.00 62.87 H new ATOM 0 HB VAL A 35 11.581 44.549 26.531 1.00 64.58 H new ATOM 0 HG11 VAL A 35 9.769 44.557 25.053 1.00 65.99 H new ATOM 0 HG12 VAL A 35 10.158 43.069 25.430 1.00 65.99 H new ATOM 0 HG13 VAL A 35 8.903 43.756 26.108 1.00 65.99 H new ATOM 0 HG21 VAL A 35 10.207 46.397 26.681 1.00 67.88 H new ATOM 0 HG22 VAL A 35 9.351 45.673 27.800 1.00 67.88 H new ATOM 0 HG23 VAL A 35 10.856 46.073 28.089 1.00 67.88 H new ATOM 244 N GLU A 36 10.982 41.226 27.009 1.00 62.56 N ATOM 245 CA GLU A 36 11.717 40.109 26.447 1.00 60.65 C ATOM 246 C GLU A 36 12.495 40.558 25.212 1.00 58.97 C ATOM 247 O GLU A 36 12.225 41.607 24.617 1.00 60.00 O ATOM 248 CB GLU A 36 10.771 38.959 26.087 1.00 61.07 C ATOM 249 CG GLU A 36 9.743 39.309 25.027 1.00 64.07 C ATOM 250 CD GLU A 36 9.221 38.079 24.305 1.00 71.85 C ATOM 251 OE1 GLU A 36 8.671 38.229 23.193 1.00 74.37 O ATOM 252 OE2 GLU A 36 9.360 36.959 24.850 1.00 72.49 O ATOM 0 H GLU A 36 10.132 41.195 26.885 1.00 62.56 H new ATOM 0 HA GLU A 36 12.343 39.790 27.115 1.00 60.65 H new ATOM 0 HB2 GLU A 36 11.297 38.206 25.777 1.00 61.07 H new ATOM 0 HB3 GLU A 36 10.308 38.671 26.889 1.00 61.07 H new ATOM 0 HG2 GLU A 36 9.002 39.778 25.440 1.00 64.07 H new ATOM 0 HG3 GLU A 36 10.139 39.916 24.383 1.00 64.07 H new ATOM 253 N PHE A 37 13.472 39.742 24.832 1.00 53.15 N ATOM 254 CA PHE A 37 14.342 40.033 23.707 1.00 49.02 C ATOM 255 C PHE A 37 13.677 39.613 22.400 1.00 46.83 C ATOM 256 O PHE A 37 12.731 38.822 22.382 1.00 43.78 O ATOM 257 CB PHE A 37 15.676 39.318 23.891 1.00 47.17 C ATOM 258 CG PHE A 37 16.772 39.819 22.992 1.00 43.83 C ATOM 259 CD1 PHE A 37 17.185 41.138 23.046 1.00 42.87 C ATOM 260 CD2 PHE A 37 17.400 38.958 22.107 1.00 41.90 C ATOM 261 CE1 PHE A 37 18.200 41.592 22.225 1.00 44.54 C ATOM 262 CE2 PHE A 37 18.411 39.405 21.283 1.00 40.49 C ATOM 263 CZ PHE A 37 18.813 40.724 21.342 1.00 38.92 C ATOM 0 H PHE A 37 13.648 38.998 25.226 1.00 53.15 H new ATOM 0 HA PHE A 37 14.504 40.989 23.668 1.00 49.02 H new ATOM 0 HB2 PHE A 37 15.959 39.415 24.814 1.00 47.17 H new ATOM 0 HB3 PHE A 37 15.548 38.370 23.731 1.00 47.17 H new ATOM 0 HD1 PHE A 37 16.776 41.725 23.640 1.00 42.87 H new ATOM 0 HD2 PHE A 37 17.136 38.067 22.068 1.00 41.90 H new ATOM 0 HE1 PHE A 37 18.470 42.481 22.267 1.00 44.54 H new ATOM 0 HE2 PHE A 37 18.821 38.819 20.689 1.00 40.49 H new ATOM 0 HZ PHE A 37 19.495 41.028 20.788 1.00 38.92 H new ATOM 264 N TYR A 38 14.202 40.150 21.293 1.00 45.73 N ATOM 265 CA TYR A 38 13.589 39.931 19.983 1.00 42.60 C ATOM 266 C TYR A 38 13.516 38.449 19.623 1.00 41.83 C ATOM 267 O TYR A 38 12.496 37.978 19.104 1.00 43.92 O ATOM 268 CB TYR A 38 14.364 40.681 18.896 1.00 47.14 C ATOM 269 CG TYR A 38 14.854 42.071 19.249 1.00 42.64 C ATOM 270 CD1 TYR A 38 14.001 43.170 19.180 1.00 38.91 C ATOM 271 CD2 TYR A 38 16.180 42.294 19.612 1.00 42.38 C ATOM 272 CE1 TYR A 38 14.448 44.454 19.483 1.00 43.13 C ATOM 273 CE2 TYR A 38 16.640 43.581 19.919 1.00 43.12 C ATOM 274 CZ TYR A 38 15.767 44.654 19.849 1.00 45.15 C ATOM 275 OH TYR A 38 16.210 45.928 20.140 1.00 46.07 O ATOM 0 H TYR A 38 14.908 40.641 21.281 1.00 45.73 H new ATOM 0 HA TYR A 38 12.683 40.273 20.035 1.00 42.60 H new ATOM 0 HB2 TYR A 38 15.132 40.144 18.645 1.00 47.14 H new ATOM 0 HB3 TYR A 38 13.797 40.749 18.112 1.00 47.14 H new ATOM 0 HD1 TYR A 38 13.115 43.044 18.927 1.00 38.91 H new ATOM 0 HD2 TYR A 38 16.770 41.576 19.651 1.00 42.38 H new ATOM 0 HE1 TYR A 38 13.862 45.175 19.439 1.00 43.13 H new ATOM 0 HE2 TYR A 38 17.526 43.714 20.168 1.00 43.12 H new ATOM 0 HH TYR A 38 17.038 45.974 20.008 1.00 46.07 H new ATOM 276 N LEU A 39 14.596 37.705 19.859 1.00 44.34 N ATOM 277 CA LEU A 39 14.692 36.314 19.438 1.00 39.57 C ATOM 278 C LEU A 39 15.182 35.463 20.595 1.00 34.25 C ATOM 279 O LEU A 39 15.983 35.908 21.420 1.00 36.71 O ATOM 280 CB LEU A 39 15.665 36.116 18.250 1.00 42.14 C ATOM 281 CG LEU A 39 15.382 36.588 16.822 1.00 43.21 C ATOM 282 CD1 LEU A 39 15.306 38.101 16.720 1.00 47.25 C ATOM 283 CD2 LEU A 39 16.468 36.055 15.910 1.00 38.95 C ATOM 0 H LEU A 39 15.294 37.996 20.269 1.00 44.34 H new ATOM 0 HA LEU A 39 13.804 36.047 19.153 1.00 39.57 H new ATOM 0 HB2 LEU A 39 16.501 36.533 18.512 1.00 42.14 H new ATOM 0 HB3 LEU A 39 15.830 35.162 18.192 1.00 42.14 H new ATOM 0 HG LEU A 39 14.515 36.246 16.553 1.00 43.21 H new ATOM 0 HD11 LEU A 39 15.126 38.355 15.801 1.00 47.25 H new ATOM 0 HD12 LEU A 39 14.594 38.429 17.291 1.00 47.25 H new ATOM 0 HD13 LEU A 39 16.150 38.487 17.002 1.00 47.25 H new ATOM 0 HD21 LEU A 39 16.300 36.348 15.001 1.00 38.95 H new ATOM 0 HD22 LEU A 39 17.330 36.390 16.203 1.00 38.95 H new ATOM 0 HD23 LEU A 39 16.471 35.086 15.942 1.00 38.95 H new ATOM 284 N LYS A 40 14.714 34.218 20.628 1.00 34.15 N ATOM 285 CA LYS A 40 15.220 33.265 21.608 1.00 34.06 C ATOM 286 C LYS A 40 16.580 32.717 21.196 1.00 31.76 C ATOM 287 O LYS A 40 17.456 32.515 22.041 1.00 30.54 O ATOM 288 CB LYS A 40 14.224 32.119 21.781 1.00 31.25 C ATOM 289 CG LYS A 40 12.901 32.538 22.405 1.00 44.21 C ATOM 290 CD LYS A 40 12.625 31.751 23.685 1.00 52.19 C ATOM 291 CE LYS A 40 11.518 32.399 24.492 1.00 50.08 C ATOM 292 NZ LYS A 40 10.266 32.462 23.688 1.00 55.22 N ATOM 0 H LYS A 40 14.111 33.909 20.098 1.00 34.15 H new ATOM 0 HA LYS A 40 15.328 33.729 22.453 1.00 34.06 H new ATOM 0 HB2 LYS A 40 14.050 31.720 20.914 1.00 31.25 H new ATOM 0 HB3 LYS A 40 14.628 31.432 22.333 1.00 31.25 H new ATOM 0 HG2 LYS A 40 12.919 33.487 22.603 1.00 44.21 H new ATOM 0 HG3 LYS A 40 12.181 32.394 21.771 1.00 44.21 H new ATOM 0 HD2 LYS A 40 12.377 30.840 23.462 1.00 52.19 H new ATOM 0 HD3 LYS A 40 13.433 31.702 24.219 1.00 52.19 H new ATOM 0 HE2 LYS A 40 11.363 31.894 25.305 1.00 50.08 H new ATOM 0 HE3 LYS A 40 11.784 33.293 24.760 1.00 50.08 H new ATOM 0 HZ1 LYS A 40 9.579 32.651 24.222 1.00 55.22 H new ATOM 0 HZ2 LYS A 40 10.343 33.096 23.068 1.00 55.22 H new ATOM 0 HZ3 LYS A 40 10.127 31.677 23.293 1.00 55.22 H new ATOM 293 N GLU A 41 16.749 32.425 19.911 1.00 30.85 N ATOM 294 CA GLU A 41 17.987 31.879 19.379 1.00 28.13 C ATOM 295 C GLU A 41 18.209 32.479 18.004 1.00 30.80 C ATOM 296 O GLU A 41 17.252 32.850 17.319 1.00 29.25 O ATOM 297 CB GLU A 41 17.950 30.359 19.249 1.00 31.76 C ATOM 298 CG GLU A 41 17.553 29.614 20.498 1.00 36.22 C ATOM 299 CD GLU A 41 17.136 28.195 20.197 1.00 42.66 C ATOM 300 OE1 GLU A 41 16.228 28.010 19.352 1.00 40.78 O ATOM 301 OE2 GLU A 41 17.734 27.271 20.793 1.00 44.72 O ATOM 0 H GLU A 41 16.138 32.541 19.317 1.00 30.85 H new ATOM 0 HA GLU A 41 18.704 32.100 19.994 1.00 28.13 H new ATOM 0 HB2 GLU A 41 17.331 30.125 18.540 1.00 31.76 H new ATOM 0 HB3 GLU A 41 18.827 30.052 18.972 1.00 31.76 H new ATOM 0 HG2 GLU A 41 18.297 29.607 21.121 1.00 36.22 H new ATOM 0 HG3 GLU A 41 16.822 30.080 20.934 1.00 36.22 H new ATOM 302 N ARG A 42 19.474 32.588 17.613 1.00 23.02 N ATOM 303 CA ARG A 42 19.820 32.962 16.248 1.00 24.12 C ATOM 304 C ARG A 42 20.514 31.784 15.580 1.00 20.87 C ATOM 305 O ARG A 42 21.236 31.031 16.230 1.00 23.32 O ATOM 306 CB ARG A 42 20.720 34.197 16.208 1.00 24.80 C ATOM 307 CG ARG A 42 20.348 35.111 15.080 1.00 33.34 C ATOM 308 CD ARG A 42 20.984 36.472 15.204 1.00 26.00 C ATOM 309 NE ARG A 42 21.564 36.794 13.919 1.00 27.55 N ATOM 310 CZ ARG A 42 22.103 37.960 13.608 1.00 28.33 C ATOM 311 NH1 ARG A 42 22.125 38.947 14.499 1.00 26.46 N ATOM 312 NH2 ARG A 42 22.613 38.127 12.407 1.00 28.41 N ATOM 0 H ARG A 42 20.150 32.449 18.126 1.00 23.02 H new ATOM 0 HA ARG A 42 19.005 33.187 15.772 1.00 24.12 H new ATOM 0 HB2 ARG A 42 20.653 34.675 17.049 1.00 24.80 H new ATOM 0 HB3 ARG A 42 21.645 33.922 16.111 1.00 24.80 H new ATOM 0 HG2 ARG A 42 20.616 34.708 14.239 1.00 33.34 H new ATOM 0 HG3 ARG A 42 19.383 35.210 15.053 1.00 33.34 H new ATOM 0 HD2 ARG A 42 20.324 37.136 15.457 1.00 26.00 H new ATOM 0 HD3 ARG A 42 21.664 36.470 15.895 1.00 26.00 H new ATOM 0 HE ARG A 42 21.558 36.183 13.314 1.00 27.55 H new ATOM 0 HH11 ARG A 42 21.788 38.828 15.281 1.00 26.46 H new ATOM 0 HH12 ARG A 42 22.477 39.704 14.293 1.00 26.46 H new ATOM 0 HH21 ARG A 42 22.593 37.483 11.838 1.00 28.41 H new ATOM 0 HH22 ARG A 42 22.967 38.880 12.191 1.00 28.41 H new ATOM 313 N HIS A 43 20.278 31.617 14.280 1.00 20.86 N ATOM 314 CA HIS A 43 20.818 30.497 13.529 1.00 23.69 C ATOM 315 C HIS A 43 21.774 31.032 12.478 1.00 23.09 C ATOM 316 O HIS A 43 21.426 31.955 11.738 1.00 23.36 O ATOM 317 CB HIS A 43 19.686 29.696 12.863 1.00 24.16 C ATOM 318 CG HIS A 43 18.622 29.255 13.824 1.00 25.85 C ATOM 319 ND1 HIS A 43 18.545 27.965 14.299 1.00 31.68 N ATOM 320 CD2 HIS A 43 17.605 29.935 14.403 1.00 26.72 C ATOM 321 CE1 HIS A 43 17.512 27.862 15.121 1.00 29.45 C ATOM 322 NE2 HIS A 43 16.932 29.042 15.208 1.00 28.72 N ATOM 0 H HIS A 43 19.798 32.155 13.811 1.00 20.86 H new ATOM 0 HA HIS A 43 21.291 29.901 14.131 1.00 23.69 H new ATOM 0 HB2 HIS A 43 19.280 30.238 12.169 1.00 24.16 H new ATOM 0 HB3 HIS A 43 20.064 28.915 12.429 1.00 24.16 H new ATOM 0 HD2 HIS A 43 17.400 30.834 14.281 1.00 26.72 H new ATOM 0 HE1 HIS A 43 17.242 27.089 15.562 1.00 29.45 H new ATOM 0 HE2 HIS A 43 16.244 29.225 15.690 1.00 28.72 H new ATOM 323 N PHE A 44 22.971 30.455 12.422 1.00 23.95 N ATOM 324 CA PHE A 44 24.008 30.889 11.500 1.00 24.74 C ATOM 325 C PHE A 44 24.534 29.699 10.712 1.00 27.40 C ATOM 326 O PHE A 44 24.568 28.569 11.204 1.00 26.24 O ATOM 327 CB PHE A 44 25.190 31.539 12.228 1.00 22.68 C ATOM 328 CG PHE A 44 24.826 32.732 13.055 1.00 24.01 C ATOM 329 CD1 PHE A 44 24.440 32.580 14.376 1.00 24.00 C ATOM 330 CD2 PHE A 44 24.933 34.011 12.534 1.00 25.95 C ATOM 331 CE1 PHE A 44 24.135 33.694 15.147 1.00 23.83 C ATOM 332 CE2 PHE A 44 24.636 35.114 13.289 1.00 30.46 C ATOM 333 CZ PHE A 44 24.234 34.963 14.597 1.00 26.39 C ATOM 0 H PHE A 44 23.203 29.796 12.923 1.00 23.95 H new ATOM 0 HA PHE A 44 23.605 31.545 10.910 1.00 24.74 H new ATOM 0 HB2 PHE A 44 25.607 30.877 12.801 1.00 22.68 H new ATOM 0 HB3 PHE A 44 25.854 31.804 11.572 1.00 22.68 H new ATOM 0 HD1 PHE A 44 24.385 31.729 14.748 1.00 24.00 H new ATOM 0 HD2 PHE A 44 25.212 34.123 11.654 1.00 25.95 H new ATOM 0 HE1 PHE A 44 23.865 33.589 16.031 1.00 23.83 H new ATOM 0 HE2 PHE A 44 24.706 35.964 12.919 1.00 30.46 H new ATOM 0 HZ PHE A 44 24.029 35.711 15.111 1.00 26.39 H new ATOM 334 N ASP A 45 24.966 29.965 9.489 1.00 25.32 N ATOM 335 CA ASP A 45 25.717 28.971 8.744 1.00 24.33 C ATOM 336 C ASP A 45 27.177 29.027 9.171 1.00 27.26 C ATOM 337 O ASP A 45 27.741 30.111 9.342 1.00 28.40 O ATOM 338 CB ASP A 45 25.601 29.222 7.243 1.00 25.78 C ATOM 339 CG ASP A 45 24.264 28.789 6.685 1.00 35.08 C ATOM 340 OD1 ASP A 45 23.486 28.131 7.415 1.00 34.13 O ATOM 341 OD2 ASP A 45 23.997 29.105 5.512 1.00 44.01 O ATOM 0 H ASP A 45 24.836 30.708 9.076 1.00 25.32 H new ATOM 0 HA ASP A 45 25.354 28.091 8.932 1.00 24.33 H new ATOM 0 HB2 ASP A 45 25.732 30.167 7.065 1.00 25.78 H new ATOM 0 HB3 ASP A 45 26.310 28.746 6.783 1.00 25.78 H new ATOM 342 N ARG A 46 27.770 27.853 9.377 1.00 29.02 N ATOM 343 CA ARG A 46 29.174 27.709 9.740 1.00 25.53 C ATOM 344 C ARG A 46 29.821 26.781 8.724 1.00 26.84 C ATOM 345 O ARG A 46 29.278 25.713 8.428 1.00 26.84 O ATOM 346 CB ARG A 46 29.325 27.159 11.165 1.00 26.32 C ATOM 347 CG ARG A 46 30.743 26.758 11.516 1.00 28.51 C ATOM 348 CD ARG A 46 30.822 26.210 12.932 1.00 24.12 C ATOM 349 NE ARG A 46 32.184 25.864 13.306 1.00 23.96 N ATOM 350 CZ ARG A 46 32.491 25.082 14.329 1.00 29.96 C ATOM 351 NH1 ARG A 46 31.521 24.574 15.071 1.00 31.24 N ATOM 352 NH2 ARG A 46 33.759 24.813 14.608 1.00 30.28 N ATOM 0 H ARG A 46 27.356 27.102 9.308 1.00 29.02 H new ATOM 0 HA ARG A 46 29.611 28.575 9.729 1.00 25.53 H new ATOM 0 HB2 ARG A 46 29.022 27.830 11.796 1.00 26.32 H new ATOM 0 HB3 ARG A 46 28.744 26.389 11.269 1.00 26.32 H new ATOM 0 HG2 ARG A 46 31.058 26.088 10.889 1.00 28.51 H new ATOM 0 HG3 ARG A 46 31.330 27.525 11.430 1.00 28.51 H new ATOM 0 HD2 ARG A 46 30.474 26.869 13.553 1.00 24.12 H new ATOM 0 HD3 ARG A 46 30.257 25.425 13.006 1.00 24.12 H new ATOM 0 HE ARG A 46 32.828 26.186 12.835 1.00 23.96 H new ATOM 0 HH11 ARG A 46 30.700 24.753 14.887 1.00 31.24 H new ATOM 0 HH12 ARG A 46 31.711 24.065 15.738 1.00 31.24 H new ATOM 0 HH21 ARG A 46 34.386 25.147 14.123 1.00 30.28 H new ATOM 0 HH22 ARG A 46 33.954 24.305 15.273 1.00 30.28 H new ATOM 353 N THR A 47 30.952 27.198 8.152 1.00 25.49 N ATOM 354 CA THR A 47 31.569 26.410 7.099 1.00 25.18 C ATOM 355 C THR A 47 33.042 26.178 7.379 1.00 24.51 C ATOM 356 O THR A 47 33.707 26.966 8.066 1.00 24.08 O ATOM 357 CB THR A 47 31.447 27.072 5.730 1.00 24.08 C ATOM 358 OG1 THR A 47 32.142 28.319 5.752 1.00 26.62 O ATOM 359 CG2 THR A 47 29.979 27.313 5.371 1.00 26.38 C ATOM 0 H THR A 47 31.368 27.922 8.358 1.00 25.49 H new ATOM 0 HA THR A 47 31.091 25.566 7.087 1.00 25.18 H new ATOM 0 HB THR A 47 31.834 26.484 5.062 1.00 24.08 H new ATOM 0 HG1 THR A 47 31.877 28.776 6.405 1.00 26.62 H new ATOM 0 HG21 THR A 47 29.924 27.734 4.499 1.00 26.38 H new ATOM 0 HG22 THR A 47 29.507 26.466 5.351 1.00 26.38 H new ATOM 0 HG23 THR A 47 29.574 27.893 6.035 1.00 26.38 H new ATOM 360 N ILE A 48 33.533 25.076 6.825 1.00 21.95 N ATOM 361 CA ILE A 48 34.955 24.813 6.675 1.00 22.63 C ATOM 362 C ILE A 48 35.169 24.465 5.210 1.00 24.74 C ATOM 363 O ILE A 48 34.458 23.618 4.664 1.00 24.57 O ATOM 364 CB ILE A 48 35.436 23.664 7.580 1.00 24.57 C ATOM 365 CG1 ILE A 48 35.194 23.989 9.058 1.00 24.08 C ATOM 366 CG2 ILE A 48 36.898 23.349 7.292 1.00 24.83 C ATOM 367 CD1 ILE A 48 35.666 22.890 10.024 1.00 26.23 C ATOM 0 H ILE A 48 33.035 24.446 6.519 1.00 21.95 H new ATOM 0 HA ILE A 48 35.469 25.591 6.942 1.00 22.63 H new ATOM 0 HB ILE A 48 34.918 22.868 7.381 1.00 24.57 H new ATOM 0 HG12 ILE A 48 35.650 24.817 9.277 1.00 24.08 H new ATOM 0 HG13 ILE A 48 34.246 24.142 9.195 1.00 24.08 H new ATOM 0 HG21 ILE A 48 37.192 22.625 7.866 1.00 24.83 H new ATOM 0 HG22 ILE A 48 36.996 23.085 6.364 1.00 24.83 H new ATOM 0 HG23 ILE A 48 37.439 24.136 7.463 1.00 24.83 H new ATOM 0 HD11 ILE A 48 35.483 23.161 10.937 1.00 26.23 H new ATOM 0 HD12 ILE A 48 35.194 22.065 9.831 1.00 26.23 H new ATOM 0 HD13 ILE A 48 36.619 22.750 9.914 1.00 26.23 H new ATOM 368 N THR A 49 36.117 25.120 4.565 1.00 20.87 N ATOM 369 CA THR A 49 36.379 24.846 3.160 1.00 20.56 C ATOM 370 C THR A 49 37.746 24.193 3.023 1.00 21.91 C ATOM 371 O THR A 49 38.736 24.709 3.551 1.00 21.85 O ATOM 372 CB THR A 49 36.289 26.116 2.324 1.00 24.46 C ATOM 373 OG1 THR A 49 34.937 26.606 2.365 1.00 28.02 O ATOM 374 CG2 THR A 49 36.650 25.821 0.871 1.00 24.78 C ATOM 0 H THR A 49 36.619 25.724 4.917 1.00 20.87 H new ATOM 0 HA THR A 49 35.702 24.238 2.825 1.00 20.56 H new ATOM 0 HB THR A 49 36.906 26.773 2.683 1.00 24.46 H new ATOM 0 HG1 THR A 49 34.879 27.308 1.907 1.00 28.02 H new ATOM 0 HG21 THR A 49 36.589 26.637 0.350 1.00 24.78 H new ATOM 0 HG22 THR A 49 37.556 25.476 0.826 1.00 24.78 H new ATOM 0 HG23 THR A 49 36.035 25.162 0.512 1.00 24.78 H new ATOM 375 N HIS A 50 37.790 23.064 2.318 1.00 19.57 N ATOM 376 CA HIS A 50 39.016 22.301 2.104 1.00 19.01 C ATOM 377 C HIS A 50 39.428 22.387 0.643 1.00 24.59 C ATOM 378 O HIS A 50 38.625 22.099 -0.244 1.00 21.05 O ATOM 379 CB HIS A 50 38.810 20.840 2.495 1.00 22.60 C ATOM 380 CG HIS A 50 38.291 20.658 3.889 1.00 24.20 C ATOM 381 ND1 HIS A 50 39.107 20.664 4.997 1.00 22.71 N ATOM 382 CD2 HIS A 50 37.029 20.467 4.345 1.00 26.35 C ATOM 383 CE1 HIS A 50 38.370 20.481 6.081 1.00 23.96 C ATOM 384 NE2 HIS A 50 37.109 20.349 5.710 1.00 23.97 N ATOM 0 H HIS A 50 37.098 22.716 1.946 1.00 19.57 H new ATOM 0 HA HIS A 50 39.717 22.677 2.660 1.00 19.01 H new ATOM 0 HB2 HIS A 50 38.190 20.431 1.871 1.00 22.60 H new ATOM 0 HB3 HIS A 50 39.653 20.368 2.408 1.00 22.60 H new ATOM 0 HD2 HIS A 50 36.255 20.424 3.830 1.00 26.35 H new ATOM 0 HE1 HIS A 50 38.686 20.451 6.955 1.00 23.96 H new ATOM 0 HE2 HIS A 50 36.445 20.211 6.239 1.00 23.97 H new ATOM 385 N ASN A 51 40.691 22.728 0.393 1.00 20.77 N ATOM 386 CA ASN A 51 41.179 22.896 -0.968 1.00 20.24 C ATOM 387 C ASN A 51 42.480 22.140 -1.162 1.00 19.15 C ATOM 388 O ASN A 51 43.270 21.992 -0.231 1.00 20.96 O ATOM 389 CB ASN A 51 41.410 24.372 -1.285 1.00 23.03 C ATOM 390 CG ASN A 51 40.258 25.233 -0.838 1.00 29.91 C ATOM 391 OD1 ASN A 51 39.368 25.512 -1.628 1.00 29.94 O ATOM 392 ND2 ASN A 51 40.250 25.633 0.455 1.00 26.03 N ATOM 0 H ASN A 51 41.281 22.867 1.003 1.00 20.77 H new ATOM 0 HA ASN A 51 40.504 22.543 -1.569 1.00 20.24 H new ATOM 0 HB2 ASN A 51 42.224 24.672 -0.851 1.00 23.03 H new ATOM 0 HB3 ASN A 51 41.542 24.480 -2.240 1.00 23.03 H new ATOM 0 HD21 ASN A 51 39.597 26.106 0.755 1.00 26.03 H new ATOM 0 HD22 ASN A 51 40.897 25.414 0.977 1.00 26.03 H new ATOM 393 N ILE A 52 42.709 21.676 -2.390 1.00 20.28 N ATOM 394 CA ILE A 52 43.989 21.093 -2.771 1.00 20.79 C ATOM 395 C ILE A 52 44.497 21.857 -3.985 1.00 21.73 C ATOM 396 O ILE A 52 43.718 22.210 -4.874 1.00 20.13 O ATOM 397 CB ILE A 52 43.896 19.570 -3.032 1.00 22.67 C ATOM 398 CG1 ILE A 52 45.283 18.933 -2.989 1.00 22.47 C ATOM 399 CG2 ILE A 52 43.171 19.228 -4.336 1.00 17.75 C ATOM 400 CD1 ILE A 52 45.824 18.775 -1.562 1.00 23.90 C ATOM 0 H ILE A 52 42.126 21.691 -3.022 1.00 20.28 H new ATOM 0 HA ILE A 52 44.618 21.178 -2.038 1.00 20.79 H new ATOM 0 HB ILE A 52 43.357 19.196 -2.318 1.00 22.67 H new ATOM 0 HG12 ILE A 52 45.247 18.062 -3.415 1.00 22.47 H new ATOM 0 HG13 ILE A 52 45.899 19.476 -3.505 1.00 22.47 H new ATOM 0 HG21 ILE A 52 43.142 18.265 -4.448 1.00 17.75 H new ATOM 0 HG22 ILE A 52 42.266 19.576 -4.304 1.00 17.75 H new ATOM 0 HG23 ILE A 52 43.644 19.626 -5.083 1.00 17.75 H new ATOM 0 HD11 ILE A 52 46.704 18.367 -1.592 1.00 23.90 H new ATOM 0 HD12 ILE A 52 45.887 19.647 -1.141 1.00 23.90 H new ATOM 0 HD13 ILE A 52 45.224 18.211 -1.049 1.00 23.90 H new ATOM 401 N THR A 53 45.779 22.215 -3.960 1.00 19.15 N ATOM 402 CA THR A 53 46.402 22.996 -5.025 1.00 18.07 C ATOM 403 C THR A 53 47.657 22.263 -5.473 1.00 21.84 C ATOM 404 O THR A 53 48.344 21.658 -4.651 1.00 18.93 O ATOM 405 CB THR A 53 46.758 24.427 -4.574 1.00 20.51 C ATOM 406 OG1 THR A 53 47.644 24.400 -3.448 1.00 19.80 O ATOM 407 CG2 THR A 53 45.500 25.211 -4.185 1.00 23.95 C ATOM 0 H THR A 53 46.315 22.010 -3.320 1.00 19.15 H new ATOM 0 HA THR A 53 45.770 23.085 -5.755 1.00 18.07 H new ATOM 0 HB THR A 53 47.193 24.863 -5.323 1.00 20.51 H new ATOM 0 HG1 THR A 53 47.360 23.849 -2.881 1.00 19.80 H new ATOM 0 HG21 THR A 53 45.750 26.106 -3.906 1.00 23.95 H new ATOM 0 HG22 THR A 53 44.904 25.266 -4.948 1.00 23.95 H new ATOM 0 HG23 THR A 53 45.049 24.759 -3.455 1.00 23.95 H new ATOM 408 N LEU A 54 47.931 22.280 -6.781 1.00 17.19 N ATOM 409 CA LEU A 54 49.112 21.607 -7.301 1.00 19.13 C ATOM 410 C LEU A 54 49.975 22.585 -8.074 1.00 17.18 C ATOM 411 O LEU A 54 49.463 23.591 -8.582 1.00 18.69 O ATOM 412 CB LEU A 54 48.737 20.439 -8.224 1.00 18.54 C ATOM 413 CG LEU A 54 48.444 19.106 -7.544 1.00 17.56 C ATOM 414 CD1 LEU A 54 47.042 19.138 -6.917 1.00 21.59 C ATOM 415 CD2 LEU A 54 48.598 17.903 -8.498 1.00 17.87 C ATOM 0 H LEU A 54 47.448 22.673 -7.374 1.00 17.19 H new ATOM 0 HA LEU A 54 49.603 21.257 -6.541 1.00 19.13 H new ATOM 0 HB2 LEU A 54 47.956 20.696 -8.738 1.00 18.54 H new ATOM 0 HB3 LEU A 54 49.461 20.306 -8.856 1.00 18.54 H new ATOM 0 HG LEU A 54 49.105 18.983 -6.845 1.00 17.56 H new ATOM 0 HD11 LEU A 54 46.861 18.288 -6.486 1.00 21.59 H new ATOM 0 HD12 LEU A 54 46.998 19.850 -6.259 1.00 21.59 H new ATOM 0 HD13 LEU A 54 46.381 19.296 -7.609 1.00 21.59 H new ATOM 0 HD21 LEU A 54 48.402 17.083 -8.019 1.00 17.87 H new ATOM 0 HD22 LEU A 54 47.982 17.998 -9.241 1.00 17.87 H new ATOM 0 HD23 LEU A 54 49.507 17.871 -8.834 1.00 17.87 H new ATOM 416 N PRO A 55 51.279 22.351 -8.180 1.00 15.61 N ATOM 417 CA PRO A 55 52.123 23.177 -9.040 1.00 16.71 C ATOM 418 C PRO A 55 51.555 23.224 -10.460 1.00 19.91 C ATOM 419 O PRO A 55 50.956 22.259 -10.944 1.00 20.47 O ATOM 420 CB PRO A 55 53.484 22.487 -8.996 1.00 19.71 C ATOM 421 CG PRO A 55 53.507 21.818 -7.647 1.00 17.44 C ATOM 422 CD PRO A 55 52.079 21.310 -7.476 1.00 17.16 C ATOM 0 HA PRO A 55 52.177 24.101 -8.749 1.00 16.71 H new ATOM 0 HB2 PRO A 55 53.579 21.842 -9.714 1.00 19.71 H new ATOM 0 HB3 PRO A 55 54.209 23.125 -9.089 1.00 19.71 H new ATOM 0 HG2 PRO A 55 54.150 21.092 -7.619 1.00 17.44 H new ATOM 0 HG3 PRO A 55 53.751 22.440 -6.944 1.00 17.44 H new ATOM 0 HD2 PRO A 55 51.958 20.433 -7.872 1.00 17.16 H new ATOM 0 HD3 PRO A 55 51.832 21.236 -6.541 1.00 17.16 H new ATOM 423 N ARG A 56 51.730 24.379 -11.097 1.00 19.56 N ATOM 424 CA ARG A 56 51.168 24.576 -12.427 1.00 20.40 C ATOM 425 C ARG A 56 51.672 23.522 -13.398 1.00 25.10 C ATOM 426 O ARG A 56 50.895 22.999 -14.207 1.00 24.33 O ATOM 427 CB ARG A 56 51.508 25.986 -12.917 1.00 25.65 C ATOM 428 CG ARG A 56 50.977 26.317 -14.304 1.00 32.77 C ATOM 429 CD ARG A 56 50.970 27.827 -14.543 1.00 32.65 C ATOM 430 NE ARG A 56 50.076 28.187 -15.644 1.00 41.48 N ATOM 431 CZ ARG A 56 50.213 29.276 -16.395 1.00 44.21 C ATOM 432 NH1 ARG A 56 51.208 30.125 -16.163 1.00 46.70 N ATOM 433 NH2 ARG A 56 49.353 29.515 -17.375 1.00 41.57 N ATOM 0 H ARG A 56 52.164 25.051 -10.781 1.00 19.56 H new ATOM 0 HA ARG A 56 50.204 24.482 -12.379 1.00 20.40 H new ATOM 0 HB2 ARG A 56 51.153 26.630 -12.285 1.00 25.65 H new ATOM 0 HB3 ARG A 56 52.472 26.092 -12.918 1.00 25.65 H new ATOM 0 HG2 ARG A 56 51.525 25.882 -14.976 1.00 32.77 H new ATOM 0 HG3 ARG A 56 50.078 25.967 -14.402 1.00 32.77 H new ATOM 0 HD2 ARG A 56 50.690 28.283 -13.734 1.00 32.65 H new ATOM 0 HD3 ARG A 56 51.870 28.129 -14.742 1.00 32.65 H new ATOM 0 HE ARG A 56 49.419 27.660 -15.817 1.00 41.48 H new ATOM 0 HH11 ARG A 56 51.765 29.971 -15.526 1.00 46.70 H new ATOM 0 HH12 ARG A 56 51.295 30.829 -16.650 1.00 46.70 H new ATOM 0 HH21 ARG A 56 48.708 28.966 -17.524 1.00 41.57 H new ATOM 0 HH22 ARG A 56 49.440 30.219 -17.862 1.00 41.57 H new ATOM 434 N ALA A 57 52.956 23.169 -13.305 1.00 21.27 N ATOM 435 CA ALA A 57 53.632 22.234 -14.208 1.00 25.35 C ATOM 436 C ALA A 57 53.692 20.804 -13.674 1.00 27.27 C ATOM 437 O ALA A 57 54.662 20.087 -13.942 1.00 37.28 O ATOM 438 CB ALA A 57 55.042 22.732 -14.501 1.00 30.00 C ATOM 0 H ALA A 57 53.475 23.478 -12.693 1.00 21.27 H new ATOM 0 HA ALA A 57 53.103 22.204 -15.021 1.00 25.35 H new ATOM 0 HB1 ALA A 57 55.487 22.111 -15.099 1.00 30.00 H new ATOM 0 HB2 ALA A 57 54.996 23.606 -14.919 1.00 30.00 H new ATOM 0 HB3 ALA A 57 55.542 22.796 -13.672 1.00 30.00 H new ATOM 439 N THR A 58 52.674 20.333 -12.966 1.00 26.41 N ATOM 440 CA THR A 58 52.770 19.032 -12.315 1.00 23.22 C ATOM 441 C THR A 58 52.660 17.888 -13.319 1.00 27.62 C ATOM 442 O THR A 58 52.029 18.011 -14.377 1.00 23.90 O ATOM 443 CB THR A 58 51.687 18.888 -11.245 1.00 23.49 C ATOM 444 OG1 THR A 58 51.815 17.614 -10.605 1.00 19.43 O ATOM 445 CG2 THR A 58 50.296 18.987 -11.861 1.00 22.62 C ATOM 0 H THR A 58 51.927 20.744 -12.850 1.00 26.41 H new ATOM 0 HA THR A 58 53.644 18.982 -11.897 1.00 23.22 H new ATOM 0 HB THR A 58 51.800 19.605 -10.601 1.00 23.49 H new ATOM 0 HG1 THR A 58 52.448 17.640 -10.053 1.00 19.43 H new ATOM 0 HG21 THR A 58 49.626 18.893 -11.165 1.00 22.62 H new ATOM 0 HG22 THR A 58 50.194 19.849 -12.293 1.00 22.62 H new ATOM 0 HG23 THR A 58 50.181 18.282 -12.517 1.00 22.62 H new ATOM 446 N GLU A 59 53.291 16.763 -12.968 1.00 24.32 N ATOM 447 CA GLU A 59 53.183 15.510 -13.705 1.00 25.54 C ATOM 448 C GLU A 59 51.998 14.667 -13.255 1.00 24.49 C ATOM 449 O GLU A 59 51.692 13.661 -13.900 1.00 24.17 O ATOM 450 CB GLU A 59 54.463 14.683 -13.542 1.00 27.37 C ATOM 451 CG GLU A 59 55.706 15.296 -14.141 1.00 34.49 C ATOM 452 CD GLU A 59 55.768 15.088 -15.624 1.00 38.96 C ATOM 453 OE1 GLU A 59 56.162 16.033 -16.340 1.00 44.53 O ATOM 454 OE2 GLU A 59 55.418 13.975 -16.069 1.00 37.75 O ATOM 0 H GLU A 59 53.804 16.711 -12.279 1.00 24.32 H new ATOM 0 HA GLU A 59 53.049 15.750 -14.635 1.00 25.54 H new ATOM 0 HB2 GLU A 59 54.617 14.535 -12.596 1.00 27.37 H new ATOM 0 HB3 GLU A 59 54.322 13.813 -13.946 1.00 27.37 H new ATOM 0 HG2 GLU A 59 55.725 16.246 -13.946 1.00 34.49 H new ATOM 0 HG3 GLU A 59 56.491 14.906 -13.726 1.00 34.49 H new ATOM 455 N VAL A 60 51.353 15.034 -12.151 1.00 22.15 N ATOM 456 CA VAL A 60 50.206 14.257 -11.673 1.00 23.19 C ATOM 457 C VAL A 60 49.143 14.219 -12.771 1.00 23.18 C ATOM 458 O VAL A 60 48.763 15.275 -13.301 1.00 23.84 O ATOM 459 CB VAL A 60 49.654 14.874 -10.376 1.00 19.48 C ATOM 460 CG1 VAL A 60 48.315 14.256 -10.003 1.00 18.98 C ATOM 461 CG2 VAL A 60 50.672 14.704 -9.251 1.00 19.53 C ATOM 0 H VAL A 60 51.557 15.717 -11.670 1.00 22.15 H new ATOM 0 HA VAL A 60 50.478 13.348 -11.471 1.00 23.19 H new ATOM 0 HB VAL A 60 49.504 15.822 -10.520 1.00 19.48 H new ATOM 0 HG11 VAL A 60 47.989 14.661 -9.184 1.00 18.98 H new ATOM 0 HG12 VAL A 60 47.677 14.411 -10.717 1.00 18.98 H new ATOM 0 HG13 VAL A 60 48.425 13.301 -9.870 1.00 18.98 H new ATOM 0 HG21 VAL A 60 50.321 15.094 -8.435 1.00 19.53 H new ATOM 0 HG22 VAL A 60 50.844 13.760 -9.110 1.00 19.53 H new ATOM 0 HG23 VAL A 60 51.499 15.150 -9.492 1.00 19.53 H new ATOM 462 N PRO A 61 48.681 13.034 -13.185 1.00 27.37 N ATOM 463 CA PRO A 61 47.710 12.969 -14.285 1.00 25.79 C ATOM 464 C PRO A 61 46.380 13.592 -13.907 1.00 25.19 C ATOM 465 O PRO A 61 45.892 13.435 -12.787 1.00 22.32 O ATOM 466 CB PRO A 61 47.561 11.461 -14.532 1.00 28.74 C ATOM 467 CG PRO A 61 48.779 10.841 -13.920 1.00 32.51 C ATOM 468 CD PRO A 61 49.121 11.703 -12.747 1.00 24.04 C ATOM 0 HA PRO A 61 48.002 13.462 -15.068 1.00 25.79 H new ATOM 0 HB2 PRO A 61 46.751 11.118 -14.125 1.00 28.74 H new ATOM 0 HB3 PRO A 61 47.507 11.265 -15.480 1.00 28.74 H new ATOM 0 HG2 PRO A 61 48.604 9.928 -13.643 1.00 32.51 H new ATOM 0 HG3 PRO A 61 49.511 10.809 -14.555 1.00 32.51 H new ATOM 0 HD2 PRO A 61 48.659 11.417 -11.943 1.00 24.04 H new ATOM 0 HD3 PRO A 61 50.071 11.684 -12.551 1.00 24.04 H new ATOM 469 N ILE A 62 45.787 14.311 -14.861 1.00 23.94 N ATOM 470 CA ILE A 62 44.426 14.790 -14.663 1.00 24.54 C ATOM 471 C ILE A 62 43.496 13.601 -14.437 1.00 26.50 C ATOM 472 O ILE A 62 43.588 12.570 -15.119 1.00 28.35 O ATOM 473 CB ILE A 62 43.996 15.655 -15.861 1.00 28.68 C ATOM 474 CG1 ILE A 62 44.754 16.983 -15.814 1.00 31.99 C ATOM 475 CG2 ILE A 62 42.494 15.898 -15.826 1.00 27.74 C ATOM 476 CD1 ILE A 62 44.325 17.976 -16.862 1.00 39.68 C ATOM 0 H ILE A 62 46.148 14.527 -15.611 1.00 23.94 H new ATOM 0 HA ILE A 62 44.379 15.352 -13.874 1.00 24.54 H new ATOM 0 HB ILE A 62 44.207 15.193 -16.687 1.00 28.68 H new ATOM 0 HG12 ILE A 62 44.635 17.381 -14.938 1.00 31.99 H new ATOM 0 HG13 ILE A 62 45.702 16.807 -15.919 1.00 31.99 H new ATOM 0 HG21 ILE A 62 42.237 16.444 -16.585 1.00 27.74 H new ATOM 0 HG22 ILE A 62 42.028 15.048 -15.866 1.00 27.74 H new ATOM 0 HG23 ILE A 62 42.259 16.357 -15.004 1.00 27.74 H new ATOM 0 HD11 ILE A 62 44.846 18.789 -16.771 1.00 39.68 H new ATOM 0 HD12 ILE A 62 44.468 17.598 -17.744 1.00 39.68 H new ATOM 0 HD13 ILE A 62 43.384 18.182 -16.747 1.00 39.68 H new ATOM 477 N GLY A 63 42.612 13.730 -13.448 1.00 21.55 N ATOM 478 CA GLY A 63 41.733 12.660 -13.027 1.00 23.81 C ATOM 479 C GLY A 63 42.214 11.878 -11.820 1.00 23.44 C ATOM 480 O GLY A 63 41.445 11.069 -11.283 1.00 25.88 O ATOM 0 H GLY A 63 42.510 14.457 -13.000 1.00 21.55 H new ATOM 0 HA2 GLY A 63 40.861 13.035 -12.827 1.00 23.81 H new ATOM 0 HA3 GLY A 63 41.614 12.046 -13.768 1.00 23.81 H new ATOM 481 N THR A 64 43.464 12.080 -11.394 1.00 25.03 N ATOM 482 CA THR A 64 43.984 11.398 -10.211 1.00 25.66 C ATOM 483 C THR A 64 43.148 11.744 -8.989 1.00 25.84 C ATOM 484 O THR A 64 42.850 12.916 -8.736 1.00 23.79 O ATOM 485 CB THR A 64 45.443 11.794 -9.969 1.00 22.90 C ATOM 486 OG1 THR A 64 46.243 11.402 -11.085 1.00 24.51 O ATOM 487 CG2 THR A 64 45.989 11.123 -8.715 1.00 25.46 C ATOM 0 H THR A 64 44.024 12.608 -11.777 1.00 25.03 H new ATOM 0 HA THR A 64 43.937 10.441 -10.364 1.00 25.66 H new ATOM 0 HB THR A 64 45.477 12.757 -9.854 1.00 22.90 H new ATOM 0 HG1 THR A 64 46.195 11.989 -11.684 1.00 24.51 H new ATOM 0 HG21 THR A 64 46.913 11.388 -8.582 1.00 25.46 H new ATOM 0 HG22 THR A 64 45.462 11.394 -7.947 1.00 25.46 H new ATOM 0 HG23 THR A 64 45.941 10.159 -8.816 1.00 25.46 H new ATOM 488 N GLU A 65 42.772 10.724 -8.220 1.00 25.72 N ATOM 489 CA GLU A 65 41.990 10.943 -7.012 1.00 26.33 C ATOM 490 C GLU A 65 42.925 11.081 -5.820 1.00 25.90 C ATOM 491 O GLU A 65 43.903 10.338 -5.693 1.00 24.64 O ATOM 492 CB GLU A 65 40.991 9.805 -6.790 1.00 29.18 C ATOM 493 CG GLU A 65 39.819 9.841 -7.775 1.00 36.24 C ATOM 494 CD GLU A 65 38.639 8.987 -7.338 1.00 45.46 C ATOM 495 OE1 GLU A 65 38.782 8.222 -6.363 1.00 43.70 O ATOM 496 OE2 GLU A 65 37.565 9.081 -7.972 1.00 46.98 O ATOM 0 H GLU A 65 42.960 9.901 -8.382 1.00 25.72 H new ATOM 0 HA GLU A 65 41.481 11.762 -7.113 1.00 26.33 H new ATOM 0 HB2 GLU A 65 41.452 8.955 -6.873 1.00 29.18 H new ATOM 0 HB3 GLU A 65 40.648 9.854 -5.884 1.00 29.18 H new ATOM 0 HG2 GLU A 65 39.524 10.759 -7.883 1.00 36.24 H new ATOM 0 HG3 GLU A 65 40.126 9.538 -8.644 1.00 36.24 H new ATOM 497 N ILE A 66 42.623 12.044 -4.954 1.00 23.78 N ATOM 498 CA ILE A 66 43.475 12.401 -3.824 1.00 20.88 C ATOM 499 C ILE A 66 42.579 12.441 -2.597 1.00 23.82 C ATOM 500 O ILE A 66 41.804 13.389 -2.414 1.00 23.90 O ATOM 501 CB ILE A 66 44.183 13.746 -4.028 1.00 22.19 C ATOM 502 CG1 ILE A 66 45.049 13.713 -5.291 1.00 23.00 C ATOM 503 CG2 ILE A 66 44.997 14.121 -2.796 1.00 24.77 C ATOM 504 CD1 ILE A 66 45.324 15.095 -5.882 1.00 26.00 C ATOM 0 H ILE A 66 41.906 12.516 -5.007 1.00 23.78 H new ATOM 0 HA ILE A 66 44.183 11.746 -3.725 1.00 20.88 H new ATOM 0 HB ILE A 66 43.510 14.434 -4.151 1.00 22.19 H new ATOM 0 HG12 ILE A 66 45.894 13.285 -5.083 1.00 23.00 H new ATOM 0 HG13 ILE A 66 44.610 13.165 -5.960 1.00 23.00 H new ATOM 0 HG21 ILE A 66 45.436 14.973 -2.945 1.00 24.77 H new ATOM 0 HG22 ILE A 66 44.409 14.191 -2.028 1.00 24.77 H new ATOM 0 HG23 ILE A 66 45.665 13.438 -2.629 1.00 24.77 H new ATOM 0 HD11 ILE A 66 45.875 15.004 -6.675 1.00 26.00 H new ATOM 0 HD12 ILE A 66 44.484 15.519 -6.119 1.00 26.00 H new ATOM 0 HD13 ILE A 66 45.788 15.640 -5.228 1.00 26.00 H new ATOM 505 N GLN A 67 42.675 11.410 -1.761 1.00 24.44 N ATOM 506 CA GLN A 67 41.898 11.303 -0.532 1.00 26.85 C ATOM 507 C GLN A 67 42.728 11.772 0.652 1.00 27.24 C ATOM 508 O GLN A 67 43.837 11.275 0.868 1.00 27.32 O ATOM 509 CB GLN A 67 41.446 9.861 -0.286 1.00 27.84 C ATOM 510 CG GLN A 67 40.310 9.409 -1.153 1.00 34.92 C ATOM 511 CD GLN A 67 39.660 8.137 -0.637 1.00 40.22 C ATOM 512 OE1 GLN A 67 40.176 7.615 0.469 1.00 48.54 O flip ATOM 513 NE2 GLN A 67 38.706 7.633 -1.227 1.00 40.66 N flip ATOM 0 H GLN A 67 43.202 10.744 -1.895 1.00 24.44 H new ATOM 0 HA GLN A 67 41.113 11.864 -0.629 1.00 26.85 H new ATOM 0 HB2 GLN A 67 42.201 9.269 -0.427 1.00 27.84 H new ATOM 0 HB3 GLN A 67 41.184 9.770 0.644 1.00 27.84 H new ATOM 0 HG2 GLN A 67 39.644 10.113 -1.202 1.00 34.92 H new ATOM 0 HG3 GLN A 67 40.634 9.261 -2.055 1.00 34.92 H new ATOM 0 HE21 GLN A 67 38.399 8.001 -1.941 1.00 40.66 H new ATOM 0 HE22 GLN A 67 38.346 6.913 -0.925 1.00 40.66 H new ATOM 514 N LEU A 68 42.183 12.691 1.446 1.00 24.50 N ATOM 515 CA LEU A 68 42.864 13.059 2.677 1.00 28.89 C ATOM 516 C LEU A 68 41.851 13.298 3.781 1.00 30.14 C ATOM 517 O LEU A 68 40.658 13.498 3.537 1.00 25.73 O ATOM 518 CB LEU A 68 43.783 14.278 2.508 1.00 32.33 C ATOM 519 CG LEU A 68 43.303 15.664 2.091 1.00 30.27 C ATOM 520 CD1 LEU A 68 42.691 16.430 3.260 1.00 28.74 C ATOM 521 CD2 LEU A 68 44.506 16.434 1.547 1.00 25.23 C ATOM 0 H LEU A 68 41.442 13.101 1.295 1.00 24.50 H new ATOM 0 HA LEU A 68 43.437 12.315 2.921 1.00 28.89 H new ATOM 0 HB2 LEU A 68 44.236 14.394 3.358 1.00 32.33 H new ATOM 0 HB3 LEU A 68 44.457 14.020 1.860 1.00 32.33 H new ATOM 0 HG LEU A 68 42.612 15.568 1.417 1.00 30.27 H new ATOM 0 HD11 LEU A 68 42.398 17.304 2.957 1.00 28.74 H new ATOM 0 HD12 LEU A 68 41.931 15.937 3.607 1.00 28.74 H new ATOM 0 HD13 LEU A 68 43.354 16.536 3.960 1.00 28.74 H new ATOM 0 HD21 LEU A 68 44.226 17.322 1.274 1.00 25.23 H new ATOM 0 HD22 LEU A 68 45.183 16.507 2.238 1.00 25.23 H new ATOM 0 HD23 LEU A 68 44.874 15.963 0.783 1.00 25.23 H new ATOM 522 N GLU A 69 42.359 13.254 5.011 1.00 26.23 N ATOM 523 CA GLU A 69 41.565 13.437 6.218 1.00 30.76 C ATOM 524 C GLU A 69 41.990 14.723 6.912 1.00 28.45 C ATOM 525 O GLU A 69 43.056 14.764 7.547 1.00 30.41 O ATOM 526 CB GLU A 69 41.740 12.237 7.148 1.00 34.59 C ATOM 527 CG GLU A 69 41.333 10.936 6.491 1.00 37.61 C ATOM 528 CD GLU A 69 41.468 9.762 7.421 1.00 44.02 C ATOM 529 OE1 GLU A 69 40.827 9.785 8.492 1.00 48.50 O ATOM 530 OE2 GLU A 69 42.223 8.826 7.082 1.00 46.89 O ATOM 0 H GLU A 69 43.193 13.114 5.168 1.00 26.23 H new ATOM 0 HA GLU A 69 40.626 13.503 5.982 1.00 30.76 H new ATOM 0 HB2 GLU A 69 42.667 12.180 7.427 1.00 34.59 H new ATOM 0 HB3 GLU A 69 41.210 12.372 7.949 1.00 34.59 H new ATOM 0 HG2 GLU A 69 40.414 11.002 6.188 1.00 37.61 H new ATOM 0 HG3 GLU A 69 41.881 10.788 5.704 1.00 37.61 H new ATOM 531 N PRO A 70 41.214 15.795 6.800 1.00 23.88 N ATOM 532 CA PRO A 70 41.600 17.064 7.421 1.00 24.54 C ATOM 533 C PRO A 70 41.611 16.967 8.937 1.00 26.82 C ATOM 534 O PRO A 70 41.055 16.041 9.533 1.00 28.54 O ATOM 535 CB PRO A 70 40.512 18.037 6.953 1.00 24.55 C ATOM 536 CG PRO A 70 39.880 17.382 5.774 1.00 27.25 C ATOM 537 CD PRO A 70 39.971 15.912 6.020 1.00 26.38 C ATOM 0 HA PRO A 70 42.496 17.338 7.172 1.00 24.54 H new ATOM 0 HB2 PRO A 70 39.862 18.198 7.654 1.00 24.55 H new ATOM 0 HB3 PRO A 70 40.891 18.897 6.714 1.00 24.55 H new ATOM 0 HG2 PRO A 70 38.956 17.661 5.676 1.00 27.25 H new ATOM 0 HG3 PRO A 70 40.338 17.626 4.955 1.00 27.25 H new ATOM 0 HD2 PRO A 70 39.204 15.580 6.512 1.00 26.38 H new ATOM 0 HD3 PRO A 70 40.016 15.409 5.192 1.00 26.38 H new ATOM 538 N LYS A 71 42.265 17.956 9.558 1.00 28.79 N ATOM 539 CA LYS A 71 42.224 18.102 11.012 1.00 31.22 C ATOM 540 C LYS A 71 40.914 18.725 11.483 1.00 35.75 C ATOM 541 O LYS A 71 40.356 18.299 12.502 1.00 36.31 O ATOM 542 CB LYS A 71 43.397 18.960 11.506 1.00 32.51 C ATOM 543 CG LYS A 71 44.782 18.459 11.122 1.00 35.84 C ATOM 544 CD LYS A 71 45.870 19.002 12.060 1.00 38.55 C ATOM 545 CE LYS A 71 45.798 20.516 12.214 1.00 40.01 C ATOM 546 NZ LYS A 71 47.087 21.094 12.715 1.00 41.60 N ATOM 0 H LYS A 71 42.737 18.550 9.153 1.00 28.79 H new ATOM 0 HA LYS A 71 42.293 17.210 11.386 1.00 31.22 H new ATOM 0 HB2 LYS A 71 43.288 19.859 11.160 1.00 32.51 H new ATOM 0 HB3 LYS A 71 43.349 19.021 12.473 1.00 32.51 H new ATOM 0 HG2 LYS A 71 44.792 17.489 11.144 1.00 35.84 H new ATOM 0 HG3 LYS A 71 44.980 18.725 10.210 1.00 35.84 H new ATOM 0 HD2 LYS A 71 45.780 18.586 12.932 1.00 38.55 H new ATOM 0 HD3 LYS A 71 46.743 18.755 11.717 1.00 38.55 H new ATOM 0 HE2 LYS A 71 45.576 20.917 11.359 1.00 40.01 H new ATOM 0 HE3 LYS A 71 45.083 20.744 12.828 1.00 40.01 H new ATOM 0 HZ1 LYS A 71 47.164 21.935 12.436 1.00 41.60 H new ATOM 0 HZ2 LYS A 71 47.095 21.075 13.605 1.00 41.60 H new ATOM 0 HZ3 LYS A 71 47.769 20.615 12.403 1.00 41.60 H new ATOM 547 N HIS A 72 40.428 19.746 10.780 1.00 29.26 N ATOM 548 CA HIS A 72 39.270 20.530 11.205 1.00 31.06 C ATOM 549 C HIS A 72 38.039 20.105 10.415 1.00 34.45 C ATOM 550 O HIS A 72 38.009 20.249 9.191 1.00 27.94 O ATOM 551 CB HIS A 72 39.532 22.023 11.012 1.00 33.77 C ATOM 552 CG HIS A 72 40.808 22.485 11.640 1.00 34.32 C ATOM 553 ND1 HIS A 72 41.015 22.446 13.000 1.00 38.70 N ATOM 554 CD2 HIS A 72 41.944 22.983 11.097 1.00 33.90 C ATOM 555 CE1 HIS A 72 42.227 22.899 13.272 1.00 41.52 C ATOM 556 NE2 HIS A 72 42.812 23.229 12.136 1.00 39.23 N ATOM 0 H HIS A 72 40.766 20.006 10.033 1.00 29.26 H new ATOM 0 HA HIS A 72 39.113 20.367 12.148 1.00 31.06 H new ATOM 0 HB2 HIS A 72 39.556 22.221 10.063 1.00 33.77 H new ATOM 0 HB3 HIS A 72 38.793 22.526 11.388 1.00 33.77 H new ATOM 0 HD2 HIS A 72 42.107 23.131 10.193 1.00 33.90 H new ATOM 0 HE1 HIS A 72 42.603 22.973 14.119 1.00 41.52 H new ATOM 0 HE2 HIS A 72 43.607 23.547 12.058 1.00 39.23 H new ATOM 557 N ARG A 73 37.021 19.601 11.114 1.00 30.19 N ATOM 558 CA ARG A 73 35.824 19.073 10.474 1.00 32.26 C ATOM 559 C ARG A 73 34.585 19.597 11.190 1.00 33.14 C ATOM 560 O ARG A 73 34.661 20.137 12.294 1.00 36.83 O ATOM 561 CB ARG A 73 35.805 17.534 10.475 1.00 34.25 C ATOM 562 CG ARG A 73 37.055 16.864 9.923 1.00 31.75 C ATOM 563 CD ARG A 73 37.191 17.081 8.430 1.00 31.22 C ATOM 564 NE ARG A 73 35.987 16.703 7.692 1.00 35.36 N ATOM 565 CZ ARG A 73 35.758 15.485 7.208 1.00 34.43 C ATOM 566 NH1 ARG A 73 36.650 14.520 7.391 1.00 32.55 N ATOM 567 NH2 ARG A 73 34.640 15.234 6.539 1.00 40.43 N ATOM 0 H ARG A 73 37.009 19.557 11.973 1.00 30.19 H new ATOM 0 HA ARG A 73 35.828 19.371 9.551 1.00 32.26 H new ATOM 0 HB2 ARG A 73 35.668 17.228 11.385 1.00 34.25 H new ATOM 0 HB3 ARG A 73 35.041 17.235 9.957 1.00 34.25 H new ATOM 0 HG2 ARG A 73 37.838 17.216 10.375 1.00 31.75 H new ATOM 0 HG3 ARG A 73 37.023 15.913 10.111 1.00 31.75 H new ATOM 0 HD2 ARG A 73 37.390 18.015 8.260 1.00 31.22 H new ATOM 0 HD3 ARG A 73 37.943 16.566 8.099 1.00 31.22 H new ATOM 0 HE ARG A 73 35.388 17.307 7.562 1.00 35.36 H new ATOM 0 HH11 ARG A 73 37.376 14.682 7.822 1.00 32.55 H new ATOM 0 HH12 ARG A 73 36.502 13.733 7.078 1.00 32.55 H new ATOM 0 HH21 ARG A 73 34.062 15.859 6.418 1.00 40.43 H new ATOM 0 HH22 ARG A 73 34.493 14.446 6.227 1.00 40.43 H new ATOM 568 N LEU A 74 33.436 19.429 10.537 1.00 32.98 N ATOM 569 CA LEU A 74 32.136 19.778 11.088 1.00 34.84 C ATOM 570 C LEU A 74 31.273 18.524 11.193 1.00 41.14 C ATOM 571 O LEU A 74 31.571 17.489 10.592 1.00 39.00 O ATOM 572 CB LEU A 74 31.424 20.823 10.215 1.00 31.21 C ATOM 573 CG LEU A 74 32.078 22.202 10.085 1.00 26.55 C ATOM 574 CD1 LEU A 74 31.245 23.112 9.207 1.00 24.01 C ATOM 575 CD2 LEU A 74 32.279 22.841 11.456 1.00 27.11 C ATOM 0 H LEU A 74 33.394 19.101 9.743 1.00 32.98 H new ATOM 0 HA LEU A 74 32.272 20.161 11.969 1.00 34.84 H new ATOM 0 HB2 LEU A 74 31.328 20.453 9.324 1.00 31.21 H new ATOM 0 HB3 LEU A 74 30.529 20.948 10.568 1.00 31.21 H new ATOM 0 HG LEU A 74 32.946 22.079 9.671 1.00 26.55 H new ATOM 0 HD11 LEU A 74 31.676 23.978 9.138 1.00 24.01 H new ATOM 0 HD12 LEU A 74 31.161 22.721 8.323 1.00 24.01 H new ATOM 0 HD13 LEU A 74 30.363 23.220 9.597 1.00 24.01 H new ATOM 0 HD21 LEU A 74 32.694 23.711 11.350 1.00 27.11 H new ATOM 0 HD22 LEU A 74 31.420 22.944 11.894 1.00 27.11 H new ATOM 0 HD23 LEU A 74 32.852 22.274 11.996 1.00 27.11 H new ATOM 576 N ASN A 75 30.192 18.629 11.970 1.00 44.85 N ATOM 577 CA ASN A 75 29.138 17.610 12.034 1.00 44.90 C ATOM 578 C ASN A 75 29.636 16.262 12.547 1.00 44.63 C ATOM 579 O ASN A 75 28.959 15.243 12.369 1.00 48.13 O ATOM 580 CB ASN A 75 28.468 17.422 10.669 1.00 42.43 C ATOM 581 CG ASN A 75 27.809 18.687 10.169 1.00 45.04 C ATOM 582 OD1 ASN A 75 27.037 19.317 10.893 1.00 45.24 O ATOM 583 ND2 ASN A 75 28.104 19.068 8.925 1.00 42.95 N ATOM 0 H ASN A 75 30.048 19.304 12.483 1.00 44.85 H new ATOM 0 HA ASN A 75 28.489 17.943 12.673 1.00 44.90 H new ATOM 0 HB2 ASN A 75 29.131 17.129 10.024 1.00 42.43 H new ATOM 0 HB3 ASN A 75 27.804 16.718 10.732 1.00 42.43 H new ATOM 0 HD21 ASN A 75 27.750 19.780 8.598 1.00 42.95 H new ATOM 0 HD22 ASN A 75 28.648 18.601 8.450 1.00 42.95 H new ATOM 584 N GLY A 76 30.804 16.225 13.181 1.00 41.75 N ATOM 585 CA GLY A 76 31.393 14.964 13.584 1.00 43.17 C ATOM 586 C GLY A 76 31.773 14.093 12.403 1.00 48.60 C ATOM 587 O GLY A 76 32.030 12.897 12.567 1.00 48.62 O ATOM 0 H GLY A 76 31.267 16.920 13.385 1.00 41.75 H new ATOM 0 HA2 GLY A 76 32.182 15.137 14.121 1.00 43.17 H new ATOM 0 HA3 GLY A 76 30.766 14.484 14.147 1.00 43.17 H new ATOM 588 N ASN A 77 31.802 14.677 11.204 1.00 43.43 N ATOM 589 CA ASN A 77 32.215 13.930 10.026 1.00 45.00 C ATOM 590 C ASN A 77 33.667 13.496 10.159 1.00 43.65 C ATOM 591 O ASN A 77 34.532 14.269 10.577 1.00 40.24 O ATOM 592 CB ASN A 77 32.035 14.768 8.763 1.00 42.12 C ATOM 593 CG ASN A 77 30.589 15.120 8.504 1.00 49.30 C ATOM 594 OD1 ASN A 77 30.253 16.283 8.288 1.00 56.00 O ATOM 595 ND2 ASN A 77 29.720 14.114 8.521 1.00 49.73 N ATOM 0 H ASN A 77 31.588 15.497 11.056 1.00 43.43 H new ATOM 0 HA ASN A 77 31.654 13.142 9.955 1.00 45.00 H new ATOM 0 HB2 ASN A 77 32.554 15.584 8.843 1.00 42.12 H new ATOM 0 HB3 ASN A 77 32.388 14.281 8.002 1.00 42.12 H new ATOM 0 HD21 ASN A 77 28.886 14.264 8.377 1.00 49.73 H new ATOM 0 HD22 ASN A 77 29.992 13.313 8.676 1.00 49.73 H new ATOM 596 N THR A 78 33.927 12.244 9.799 1.00 42.75 N ATOM 597 CA THR A 78 35.255 11.674 9.918 1.00 44.22 C ATOM 598 C THR A 78 35.723 10.972 8.653 1.00 43.70 C ATOM 599 O THR A 78 36.890 10.567 8.590 1.00 45.06 O ATOM 600 CB THR A 78 35.306 10.689 11.100 1.00 49.07 C ATOM 601 OG1 THR A 78 36.648 10.598 11.586 1.00 58.14 O ATOM 602 CG2 THR A 78 34.821 9.310 10.680 1.00 47.27 C ATOM 0 H THR A 78 33.338 11.705 9.480 1.00 42.75 H new ATOM 0 HA THR A 78 35.859 12.418 10.071 1.00 44.22 H new ATOM 0 HB THR A 78 34.722 11.018 11.801 1.00 49.07 H new ATOM 0 HG1 THR A 78 37.179 10.557 10.937 1.00 58.14 H new ATOM 0 HG21 THR A 78 34.862 8.707 11.439 1.00 47.27 H new ATOM 0 HG22 THR A 78 33.906 9.371 10.365 1.00 47.27 H new ATOM 0 HG23 THR A 78 35.386 8.971 9.968 1.00 47.27 H new ATOM 603 N GLU A 79 34.869 10.832 7.645 1.00 40.42 N ATOM 604 CA GLU A 79 35.278 10.190 6.411 1.00 40.18 C ATOM 605 C GLU A 79 36.212 11.104 5.614 1.00 39.79 C ATOM 606 O GLU A 79 36.116 12.331 5.697 1.00 37.73 O ATOM 607 CB GLU A 79 34.057 9.832 5.568 1.00 44.87 C ATOM 608 CG GLU A 79 33.353 8.558 6.017 1.00 50.13 C ATOM 609 CD GLU A 79 34.244 7.334 5.912 1.00 52.16 C ATOM 610 OE1 GLU A 79 34.827 6.929 6.940 1.00 54.00 O ATOM 611 OE2 GLU A 79 34.361 6.776 4.797 1.00 52.16 O ATOM 0 H GLU A 79 34.053 11.102 7.659 1.00 40.42 H new ATOM 0 HA GLU A 79 35.755 9.376 6.635 1.00 40.18 H new ATOM 0 HB2 GLU A 79 33.426 10.568 5.598 1.00 44.87 H new ATOM 0 HB3 GLU A 79 34.331 9.731 4.643 1.00 44.87 H new ATOM 0 HG2 GLU A 79 33.058 8.662 6.935 1.00 50.13 H new ATOM 0 HG3 GLU A 79 32.559 8.423 5.477 1.00 50.13 H new ATOM 612 N PRO A 80 37.123 10.527 4.837 1.00 37.39 N ATOM 613 CA PRO A 80 38.048 11.346 4.051 1.00 31.09 C ATOM 614 C PRO A 80 37.331 12.161 2.987 1.00 32.38 C ATOM 615 O PRO A 80 36.255 11.799 2.501 1.00 31.80 O ATOM 616 CB PRO A 80 38.985 10.312 3.412 1.00 35.01 C ATOM 617 CG PRO A 80 38.849 9.088 4.282 1.00 38.13 C ATOM 618 CD PRO A 80 37.431 9.091 4.732 1.00 36.73 C ATOM 0 HA PRO A 80 38.511 12.001 4.596 1.00 31.09 H new ATOM 0 HB2 PRO A 80 38.730 10.124 2.495 1.00 35.01 H new ATOM 0 HB3 PRO A 80 39.901 10.631 3.392 1.00 35.01 H new ATOM 0 HG2 PRO A 80 39.059 8.280 3.787 1.00 38.13 H new ATOM 0 HG3 PRO A 80 39.457 9.124 5.037 1.00 38.13 H new ATOM 0 HD2 PRO A 80 36.851 8.644 4.096 1.00 36.73 H new ATOM 0 HD3 PRO A 80 37.323 8.637 5.582 1.00 36.73 H new ATOM 619 N ILE A 81 37.952 13.276 2.632 1.00 27.76 N ATOM 620 CA ILE A 81 37.558 14.076 1.476 1.00 30.18 C ATOM 621 C ILE A 81 38.272 13.515 0.258 1.00 26.84 C ATOM 622 O ILE A 81 39.479 13.262 0.312 1.00 28.50 O ATOM 623 CB ILE A 81 37.935 15.556 1.680 1.00 27.95 C ATOM 624 CG1 ILE A 81 37.499 16.066 3.059 1.00 35.48 C ATOM 625 CG2 ILE A 81 37.395 16.421 0.525 1.00 30.03 C ATOM 626 CD1 ILE A 81 36.066 15.800 3.396 1.00 34.75 C ATOM 0 H ILE A 81 38.625 13.597 3.061 1.00 27.76 H new ATOM 0 HA ILE A 81 36.596 14.034 1.356 1.00 30.18 H new ATOM 0 HB ILE A 81 38.902 15.629 1.661 1.00 27.95 H new ATOM 0 HG12 ILE A 81 38.060 15.655 3.735 1.00 35.48 H new ATOM 0 HG13 ILE A 81 37.657 17.022 3.102 1.00 35.48 H new ATOM 0 HG21 ILE A 81 37.642 17.347 0.671 1.00 30.03 H new ATOM 0 HG22 ILE A 81 37.774 16.114 -0.314 1.00 30.03 H new ATOM 0 HG23 ILE A 81 36.429 16.346 0.489 1.00 30.03 H new ATOM 0 HD11 ILE A 81 35.870 16.151 4.279 1.00 34.75 H new ATOM 0 HD12 ILE A 81 35.494 16.232 2.743 1.00 34.75 H new ATOM 0 HD13 ILE A 81 35.903 14.844 3.385 1.00 34.75 H new ATOM 627 N THR A 82 37.550 13.350 -0.851 1.00 22.75 N ATOM 628 CA THR A 82 38.143 12.902 -2.106 1.00 25.83 C ATOM 629 C THR A 82 38.167 14.067 -3.086 1.00 24.21 C ATOM 630 O THR A 82 37.118 14.516 -3.554 1.00 25.57 O ATOM 631 CB THR A 82 37.376 11.723 -2.695 1.00 31.12 C ATOM 632 OG1 THR A 82 37.343 10.661 -1.737 1.00 35.37 O ATOM 633 CG2 THR A 82 38.060 11.224 -3.970 1.00 33.69 C ATOM 0 H THR A 82 36.703 13.495 -0.894 1.00 22.75 H new ATOM 0 HA THR A 82 39.048 12.599 -1.934 1.00 25.83 H new ATOM 0 HB THR A 82 36.475 12.010 -2.912 1.00 31.12 H new ATOM 0 HG1 THR A 82 36.573 10.607 -1.405 1.00 35.37 H new ATOM 0 HG21 THR A 82 37.562 10.475 -4.333 1.00 33.69 H new ATOM 0 HG22 THR A 82 38.088 11.940 -4.624 1.00 33.69 H new ATOM 0 HG23 THR A 82 38.964 10.940 -3.763 1.00 33.69 H new ATOM 634 N PHE A 83 39.360 14.565 -3.382 1.00 21.57 N ATOM 635 CA PHE A 83 39.549 15.495 -4.485 1.00 21.75 C ATOM 636 C PHE A 83 39.866 14.713 -5.755 1.00 22.13 C ATOM 637 O PHE A 83 40.359 13.589 -5.713 1.00 25.15 O ATOM 638 CB PHE A 83 40.686 16.476 -4.191 1.00 20.48 C ATOM 639 CG PHE A 83 40.522 17.252 -2.902 1.00 20.88 C ATOM 640 CD1 PHE A 83 39.672 18.338 -2.838 1.00 22.42 C ATOM 641 CD2 PHE A 83 41.261 16.921 -1.775 1.00 23.31 C ATOM 642 CE1 PHE A 83 39.534 19.070 -1.657 1.00 22.60 C ATOM 643 CE2 PHE A 83 41.130 17.642 -0.579 1.00 22.70 C ATOM 644 CZ PHE A 83 40.262 18.722 -0.524 1.00 23.95 C ATOM 0 H PHE A 83 40.080 14.374 -2.951 1.00 21.57 H new ATOM 0 HA PHE A 83 38.731 16.004 -4.602 1.00 21.75 H new ATOM 0 HB2 PHE A 83 41.522 15.985 -4.156 1.00 20.48 H new ATOM 0 HB3 PHE A 83 40.756 17.104 -4.927 1.00 20.48 H new ATOM 0 HD1 PHE A 83 39.185 18.585 -3.591 1.00 22.42 H new ATOM 0 HD2 PHE A 83 41.855 16.207 -1.814 1.00 23.31 H new ATOM 0 HE1 PHE A 83 38.952 19.795 -1.628 1.00 22.60 H new ATOM 0 HE2 PHE A 83 41.622 17.398 0.172 1.00 22.70 H new ATOM 0 HZ PHE A 83 40.168 19.209 0.263 1.00 23.95 H new ATOM 645 N THR A 84 39.578 15.322 -6.898 1.00 18.85 N ATOM 646 CA THR A 84 39.985 14.776 -8.190 1.00 19.43 C ATOM 647 C THR A 84 40.756 15.873 -8.906 1.00 22.25 C ATOM 648 O THR A 84 40.198 16.936 -9.188 1.00 22.27 O ATOM 649 CB THR A 84 38.779 14.311 -9.014 1.00 25.89 C ATOM 650 OG1 THR A 84 38.141 13.229 -8.337 1.00 25.38 O ATOM 651 CG2 THR A 84 39.215 13.826 -10.400 1.00 22.84 C ATOM 0 H THR A 84 39.142 16.062 -6.949 1.00 18.85 H new ATOM 0 HA THR A 84 40.539 13.989 -8.067 1.00 19.43 H new ATOM 0 HB THR A 84 38.172 15.061 -9.118 1.00 25.89 H new ATOM 0 HG1 THR A 84 37.871 12.667 -8.899 1.00 25.38 H new ATOM 0 HG21 THR A 84 38.437 13.538 -10.902 1.00 22.84 H new ATOM 0 HG22 THR A 84 39.654 14.550 -10.873 1.00 22.84 H new ATOM 0 HG23 THR A 84 39.831 13.083 -10.304 1.00 22.84 H new ATOM 652 N TYR A 85 42.049 15.648 -9.145 1.00 21.10 N ATOM 653 CA TYR A 85 42.854 16.673 -9.790 1.00 19.96 C ATOM 654 C TYR A 85 42.297 16.996 -11.177 1.00 20.85 C ATOM 655 O TYR A 85 42.037 16.099 -11.986 1.00 21.98 O ATOM 656 CB TYR A 85 44.318 16.231 -9.883 1.00 19.45 C ATOM 657 CG TYR A 85 45.162 17.197 -10.700 1.00 19.88 C ATOM 658 CD1 TYR A 85 45.144 18.567 -10.418 1.00 22.73 C ATOM 659 CD2 TYR A 85 45.945 16.757 -11.766 1.00 19.95 C ATOM 660 CE1 TYR A 85 45.878 19.457 -11.170 1.00 22.22 C ATOM 661 CE2 TYR A 85 46.690 17.649 -12.520 1.00 22.15 C ATOM 662 CZ TYR A 85 46.647 19.005 -12.212 1.00 25.01 C ATOM 663 OH TYR A 85 47.364 19.926 -12.943 1.00 24.11 O ATOM 0 H TYR A 85 42.468 14.924 -8.945 1.00 21.10 H new ATOM 0 HA TYR A 85 42.815 17.478 -9.250 1.00 19.96 H new ATOM 0 HB2 TYR A 85 44.689 16.157 -8.990 1.00 19.45 H new ATOM 0 HB3 TYR A 85 44.362 15.348 -10.283 1.00 19.45 H new ATOM 0 HD1 TYR A 85 44.628 18.882 -9.711 1.00 22.73 H new ATOM 0 HD2 TYR A 85 45.968 15.851 -11.974 1.00 19.95 H new ATOM 0 HE1 TYR A 85 45.852 20.365 -10.971 1.00 22.22 H new ATOM 0 HE2 TYR A 85 47.214 17.344 -13.225 1.00 22.15 H new ATOM 0 HH TYR A 85 47.632 19.571 -13.656 1.00 24.11 H new ATOM 664 N GLY A 86 42.075 18.292 -11.426 1.00 20.32 N ATOM 665 CA GLY A 86 41.549 18.768 -12.682 1.00 22.94 C ATOM 666 C GLY A 86 40.041 18.933 -12.744 1.00 24.37 C ATOM 667 O GLY A 86 39.540 19.427 -13.770 1.00 29.18 O ATOM 0 H GLY A 86 42.232 18.916 -10.856 1.00 20.32 H new ATOM 0 HA2 GLY A 86 41.960 19.623 -12.883 1.00 22.94 H new ATOM 0 HA3 GLY A 86 41.820 18.153 -13.381 1.00 22.94 H new ATOM 668 N SER A 87 39.298 18.554 -11.694 1.00 21.40 N ATOM 669 CA SER A 87 37.844 18.723 -11.747 1.00 25.93 C ATOM 670 C SER A 87 37.150 18.918 -10.398 1.00 25.95 C ATOM 671 O SER A 87 36.077 19.525 -10.360 1.00 27.46 O ATOM 672 CB SER A 87 37.186 17.545 -12.478 1.00 28.61 C ATOM 673 OG SER A 87 37.437 16.306 -11.850 1.00 30.83 O ATOM 0 H SER A 87 39.605 18.210 -10.968 1.00 21.40 H new ATOM 0 HA SER A 87 37.723 19.554 -12.233 1.00 25.93 H new ATOM 0 HB2 SER A 87 36.228 17.692 -12.524 1.00 28.61 H new ATOM 0 HB3 SER A 87 37.512 17.513 -13.391 1.00 28.61 H new ATOM 0 HG SER A 87 36.912 15.725 -12.156 1.00 30.83 H new ATOM 674 N LEU A 88 37.703 18.414 -9.289 1.00 22.42 N ATOM 675 CA LEU A 88 37.116 18.697 -7.975 1.00 22.04 C ATOM 676 C LEU A 88 38.270 18.961 -7.016 1.00 22.72 C ATOM 677 O LEU A 88 38.894 18.016 -6.530 1.00 22.51 O ATOM 678 CB LEU A 88 36.238 17.553 -7.480 1.00 22.37 C ATOM 679 CG LEU A 88 35.235 17.801 -6.336 1.00 25.52 C ATOM 680 CD1 LEU A 88 35.896 17.959 -4.973 1.00 24.71 C ATOM 681 CD2 LEU A 88 34.339 18.995 -6.625 1.00 26.33 C ATOM 0 H LEU A 88 38.404 17.916 -9.275 1.00 22.42 H new ATOM 0 HA LEU A 88 36.532 19.470 -8.033 1.00 22.04 H new ATOM 0 HB2 LEU A 88 35.734 17.224 -8.241 1.00 22.37 H new ATOM 0 HB3 LEU A 88 36.827 16.836 -7.198 1.00 22.37 H new ATOM 0 HG LEU A 88 34.690 17.000 -6.295 1.00 25.52 H new ATOM 0 HD11 LEU A 88 35.215 18.112 -4.299 1.00 24.71 H new ATOM 0 HD12 LEU A 88 36.389 17.152 -4.757 1.00 24.71 H new ATOM 0 HD13 LEU A 88 36.505 18.714 -4.994 1.00 24.71 H new ATOM 0 HD21 LEU A 88 33.722 19.123 -5.888 1.00 26.33 H new ATOM 0 HD22 LEU A 88 34.884 19.790 -6.732 1.00 26.33 H new ATOM 0 HD23 LEU A 88 33.839 18.835 -7.441 1.00 26.33 H new ATOM 682 N GLU A 89 38.536 20.239 -6.737 1.00 20.92 N ATOM 683 CA GLU A 89 39.687 20.628 -5.926 1.00 20.12 C ATOM 684 C GLU A 89 39.297 21.422 -4.691 1.00 23.10 C ATOM 685 O GLU A 89 40.181 21.898 -3.969 1.00 22.05 O ATOM 686 CB GLU A 89 40.680 21.428 -6.778 1.00 19.73 C ATOM 687 CG GLU A 89 41.331 20.565 -7.832 1.00 21.34 C ATOM 688 CD GLU A 89 41.972 21.333 -8.961 1.00 24.75 C ATOM 689 OE1 GLU A 89 41.967 22.590 -8.929 1.00 24.17 O ATOM 690 OE2 GLU A 89 42.469 20.665 -9.893 1.00 21.64 O ATOM 0 H GLU A 89 38.057 20.899 -7.011 1.00 20.92 H new ATOM 0 HA GLU A 89 40.104 19.810 -5.613 1.00 20.12 H new ATOM 0 HB2 GLU A 89 40.219 22.168 -7.204 1.00 19.73 H new ATOM 0 HB3 GLU A 89 41.363 21.811 -6.206 1.00 19.73 H new ATOM 0 HG2 GLU A 89 42.006 20.011 -7.409 1.00 21.34 H new ATOM 0 HG3 GLU A 89 40.663 19.966 -8.201 1.00 21.34 H new ATOM 691 N SER A 90 38.005 21.565 -4.424 1.00 21.19 N ATOM 692 CA SER A 90 37.522 22.283 -3.255 1.00 24.08 C ATOM 693 C SER A 90 36.277 21.588 -2.737 1.00 27.03 C ATOM 694 O SER A 90 35.421 21.183 -3.525 1.00 24.71 O ATOM 695 CB SER A 90 37.207 23.744 -3.596 1.00 23.86 C ATOM 696 OG SER A 90 36.753 24.452 -2.450 1.00 30.67 O ATOM 0 H SER A 90 37.380 21.245 -4.921 1.00 21.19 H new ATOM 0 HA SER A 90 38.213 22.282 -2.574 1.00 24.08 H new ATOM 0 HB2 SER A 90 38.000 24.174 -3.952 1.00 23.86 H new ATOM 0 HB3 SER A 90 36.530 23.778 -4.290 1.00 23.86 H new ATOM 0 HG SER A 90 37.404 24.830 -2.078 1.00 30.67 H new ATOM 697 N TYR A 91 36.179 21.454 -1.415 1.00 21.47 N ATOM 698 CA TYR A 91 35.022 20.855 -0.769 1.00 24.20 C ATOM 699 C TYR A 91 34.651 21.691 0.452 1.00 23.89 C ATOM 700 O TYR A 91 35.530 22.087 1.219 1.00 23.62 O ATOM 701 CB TYR A 91 35.335 19.403 -0.384 1.00 24.63 C ATOM 702 CG TYR A 91 34.234 18.705 0.365 1.00 26.09 C ATOM 703 CD1 TYR A 91 33.193 18.095 -0.315 1.00 35.78 C ATOM 704 CD2 TYR A 91 34.224 18.671 1.748 1.00 30.94 C ATOM 705 CE1 TYR A 91 32.179 17.464 0.359 1.00 34.35 C ATOM 706 CE2 TYR A 91 33.213 18.045 2.435 1.00 29.77 C ATOM 707 CZ TYR A 91 32.193 17.434 1.735 1.00 38.39 C ATOM 708 OH TYR A 91 31.177 16.798 2.418 1.00 40.65 O ATOM 0 H TYR A 91 36.789 21.712 -0.867 1.00 21.47 H new ATOM 0 HA TYR A 91 34.266 20.841 -1.376 1.00 24.20 H new ATOM 0 HB2 TYR A 91 35.530 18.901 -1.191 1.00 24.63 H new ATOM 0 HB3 TYR A 91 36.139 19.390 0.159 1.00 24.63 H new ATOM 0 HD1 TYR A 91 33.181 18.114 -1.245 1.00 35.78 H new ATOM 0 HD2 TYR A 91 34.913 19.079 2.220 1.00 30.94 H new ATOM 0 HE1 TYR A 91 31.486 17.059 -0.111 1.00 34.35 H new ATOM 0 HE2 TYR A 91 33.216 18.033 3.365 1.00 29.77 H new ATOM 0 HH TYR A 91 31.315 16.857 3.245 1.00 40.65 H new ATOM 709 N THR A 92 33.353 21.958 0.636 1.00 24.59 N ATOM 710 CA THR A 92 32.875 22.804 1.726 1.00 23.73 C ATOM 711 C THR A 92 31.980 21.989 2.650 1.00 27.33 C ATOM 712 O THR A 92 31.003 21.383 2.199 1.00 30.18 O ATOM 713 CB THR A 92 32.109 24.013 1.187 1.00 25.53 C ATOM 714 OG1 THR A 92 32.964 24.785 0.338 1.00 29.20 O ATOM 715 CG2 THR A 92 31.607 24.890 2.319 1.00 27.23 C ATOM 0 H THR A 92 32.728 21.652 0.130 1.00 24.59 H new ATOM 0 HA THR A 92 33.642 23.130 2.222 1.00 23.73 H new ATOM 0 HB THR A 92 31.346 23.688 0.685 1.00 25.53 H new ATOM 0 HG1 THR A 92 33.474 25.257 0.809 1.00 29.20 H new ATOM 0 HG21 THR A 92 31.126 25.648 1.952 1.00 27.23 H new ATOM 0 HG22 THR A 92 31.014 24.376 2.888 1.00 27.23 H new ATOM 0 HG23 THR A 92 32.360 25.208 2.841 1.00 27.23 H new ATOM 716 N GLU A 93 32.319 21.967 3.930 1.00 27.01 N ATOM 717 CA GLU A 93 31.427 21.457 4.955 1.00 28.35 C ATOM 718 C GLU A 93 30.526 22.585 5.443 1.00 30.21 C ATOM 719 O GLU A 93 30.887 23.764 5.394 1.00 27.86 O ATOM 720 CB GLU A 93 32.213 20.875 6.129 1.00 29.96 C ATOM 721 CG GLU A 93 33.170 19.758 5.774 1.00 32.21 C ATOM 722 CD GLU A 93 33.831 19.151 6.998 1.00 37.81 C ATOM 723 OE1 GLU A 93 35.064 19.309 7.140 1.00 35.24 O ATOM 724 OE2 GLU A 93 33.125 18.523 7.825 1.00 38.37 O ATOM 0 H GLU A 93 33.075 22.248 4.229 1.00 27.01 H new ATOM 0 HA GLU A 93 30.889 20.746 4.573 1.00 28.35 H new ATOM 0 HB2 GLU A 93 32.715 21.590 6.549 1.00 29.96 H new ATOM 0 HB3 GLU A 93 31.583 20.545 6.789 1.00 29.96 H new ATOM 0 HG2 GLU A 93 32.691 19.066 5.292 1.00 32.21 H new ATOM 0 HG3 GLU A 93 33.854 20.099 5.176 1.00 32.21 H new ATOM 725 N LEU A 94 29.337 22.215 5.906 1.00 29.40 N ATOM 726 CA LEU A 94 28.369 23.195 6.378 1.00 32.29 C ATOM 727 C LEU A 94 27.637 22.625 7.584 1.00 33.88 C ATOM 728 O LEU A 94 27.229 21.459 7.579 1.00 32.11 O ATOM 729 CB LEU A 94 27.380 23.572 5.267 1.00 32.00 C ATOM 730 CG LEU A 94 26.204 24.491 5.602 1.00 37.14 C ATOM 731 CD1 LEU A 94 26.692 25.840 6.091 1.00 34.15 C ATOM 732 CD2 LEU A 94 25.315 24.660 4.383 1.00 38.42 C ATOM 0 H LEU A 94 29.072 21.398 5.955 1.00 29.40 H new ATOM 0 HA LEU A 94 28.835 24.006 6.636 1.00 32.29 H new ATOM 0 HB2 LEU A 94 27.886 23.992 4.554 1.00 32.00 H new ATOM 0 HB3 LEU A 94 27.015 22.748 4.908 1.00 32.00 H new ATOM 0 HG LEU A 94 25.689 24.082 6.315 1.00 37.14 H new ATOM 0 HD11 LEU A 94 25.931 26.405 6.297 1.00 34.15 H new ATOM 0 HD12 LEU A 94 27.230 25.720 6.889 1.00 34.15 H new ATOM 0 HD13 LEU A 94 27.228 26.260 5.400 1.00 34.15 H new ATOM 0 HD21 LEU A 94 24.572 25.244 4.603 1.00 38.42 H new ATOM 0 HD22 LEU A 94 25.829 25.050 3.659 1.00 38.42 H new ATOM 0 HD23 LEU A 94 24.975 23.794 4.108 1.00 38.42 H new ATOM 733 N SER A 95 27.503 23.433 8.633 1.00 29.66 N ATOM 734 CA SER A 95 26.673 23.046 9.762 1.00 28.18 C ATOM 735 C SER A 95 25.838 24.243 10.195 1.00 32.34 C ATOM 736 O SER A 95 26.096 25.383 9.806 1.00 30.12 O ATOM 737 CB SER A 95 27.501 22.503 10.938 1.00 35.57 C ATOM 738 OG SER A 95 28.298 23.507 11.538 1.00 37.95 O ATOM 0 H SER A 95 27.881 24.202 8.708 1.00 29.66 H new ATOM 0 HA SER A 95 26.092 22.322 9.480 1.00 28.18 H new ATOM 0 HB2 SER A 95 26.905 22.124 11.603 1.00 35.57 H new ATOM 0 HB3 SER A 95 28.071 21.783 10.625 1.00 35.57 H new ATOM 0 HG SER A 95 28.734 23.176 12.175 1.00 37.95 H new ATOM 739 N GLU A 96 24.806 23.969 10.985 1.00 31.17 N ATOM 740 CA GLU A 96 24.005 25.032 11.571 1.00 28.06 C ATOM 741 C GLU A 96 24.560 25.349 12.950 1.00 28.06 C ATOM 742 O GLU A 96 24.732 24.452 13.776 1.00 29.59 O ATOM 743 CB GLU A 96 22.534 24.632 11.676 1.00 33.09 C ATOM 744 CG GLU A 96 21.651 25.784 12.153 1.00 30.27 C ATOM 745 CD GLU A 96 20.258 25.337 12.577 1.00 38.79 C ATOM 746 OE1 GLU A 96 20.106 24.791 13.694 1.00 41.95 O ATOM 747 OE2 GLU A 96 19.319 25.544 11.793 1.00 39.84 O ATOM 0 H GLU A 96 24.554 23.174 11.193 1.00 31.17 H new ATOM 0 HA GLU A 96 24.052 25.814 10.999 1.00 28.06 H new ATOM 0 HB2 GLU A 96 22.222 24.325 10.810 1.00 33.09 H new ATOM 0 HB3 GLU A 96 22.447 23.886 12.289 1.00 33.09 H new ATOM 0 HG2 GLU A 96 22.083 26.227 12.900 1.00 30.27 H new ATOM 0 HG3 GLU A 96 21.572 26.439 11.442 1.00 30.27 H new ATOM 748 N ASP A 97 24.878 26.613 13.179 1.00 24.61 N ATOM 749 CA ASP A 97 25.377 27.080 14.464 1.00 21.10 C ATOM 750 C ASP A 97 24.245 27.856 15.127 1.00 22.04 C ATOM 751 O ASP A 97 23.878 28.939 14.664 1.00 22.49 O ATOM 752 CB ASP A 97 26.616 27.946 14.242 1.00 25.39 C ATOM 753 CG ASP A 97 27.268 28.390 15.522 1.00 26.92 C ATOM 754 OD1 ASP A 97 26.957 27.822 16.586 1.00 28.47 O ATOM 755 OD2 ASP A 97 28.109 29.309 15.450 1.00 25.25 O ATOM 0 H ASP A 97 24.810 27.232 12.586 1.00 24.61 H new ATOM 0 HA ASP A 97 25.644 26.347 15.040 1.00 21.10 H new ATOM 0 HB2 ASP A 97 27.260 27.449 13.714 1.00 25.39 H new ATOM 0 HB3 ASP A 97 26.368 28.728 13.724 1.00 25.39 H new ATOM 756 N LYS A 98 23.679 27.300 16.196 1.00 23.83 N ATOM 757 CA LYS A 98 22.547 27.905 16.888 1.00 21.83 C ATOM 758 C LYS A 98 23.032 28.550 18.181 1.00 24.33 C ATOM 759 O LYS A 98 23.720 27.905 18.975 1.00 27.94 O ATOM 760 CB LYS A 98 21.477 26.844 17.176 1.00 27.11 C ATOM 761 CG LYS A 98 20.290 27.335 17.959 1.00 32.31 C ATOM 762 CD LYS A 98 19.161 26.309 17.925 1.00 38.39 C ATOM 763 CE LYS A 98 19.679 24.893 18.111 1.00 37.89 C ATOM 764 NZ LYS A 98 18.545 23.949 18.339 1.00 46.53 N ATOM 0 H LYS A 98 23.943 26.558 16.541 1.00 23.83 H new ATOM 0 HA LYS A 98 22.150 28.589 16.326 1.00 21.83 H new ATOM 0 HB2 LYS A 98 21.164 26.482 16.332 1.00 27.11 H new ATOM 0 HB3 LYS A 98 21.889 26.113 17.663 1.00 27.11 H new ATOM 0 HG2 LYS A 98 20.551 27.506 18.878 1.00 32.31 H new ATOM 0 HG3 LYS A 98 19.980 28.177 17.591 1.00 32.31 H new ATOM 0 HD2 LYS A 98 18.518 26.512 18.622 1.00 38.39 H new ATOM 0 HD3 LYS A 98 18.691 26.373 17.079 1.00 38.39 H new ATOM 0 HE2 LYS A 98 20.181 24.621 17.327 1.00 37.89 H new ATOM 0 HE3 LYS A 98 20.290 24.862 18.864 1.00 37.89 H new ATOM 0 HZ1 LYS A 98 18.862 23.124 18.446 1.00 46.53 H new ATOM 0 HZ2 LYS A 98 18.098 24.192 19.069 1.00 46.53 H new ATOM 0 HZ3 LYS A 98 17.998 23.967 17.637 1.00 46.53 H new ATOM 765 N VAL A 99 22.692 29.820 18.377 1.00 23.86 N ATOM 766 CA VAL A 99 23.221 30.635 19.469 1.00 24.24 C ATOM 767 C VAL A 99 22.055 31.140 20.310 1.00 26.68 C ATOM 768 O VAL A 99 21.163 31.831 19.797 1.00 23.18 O ATOM 769 CB VAL A 99 24.053 31.811 18.937 1.00 25.24 C ATOM 770 CG1 VAL A 99 24.698 32.562 20.092 1.00 26.65 C ATOM 771 CG2 VAL A 99 25.112 31.310 17.967 1.00 24.78 C ATOM 0 H VAL A 99 22.138 30.241 17.871 1.00 23.86 H new ATOM 0 HA VAL A 99 23.811 30.091 20.015 1.00 24.24 H new ATOM 0 HB VAL A 99 23.467 32.421 18.463 1.00 25.24 H new ATOM 0 HG11 VAL A 99 25.221 33.302 19.745 1.00 26.65 H new ATOM 0 HG12 VAL A 99 24.008 32.903 20.682 1.00 26.65 H new ATOM 0 HG13 VAL A 99 25.277 31.961 20.586 1.00 26.65 H new ATOM 0 HG21 VAL A 99 25.631 32.061 17.638 1.00 24.78 H new ATOM 0 HG22 VAL A 99 25.699 30.687 18.422 1.00 24.78 H new ATOM 0 HG23 VAL A 99 24.682 30.863 17.221 1.00 24.78 H new ATOM 772 N THR A 100 22.066 30.820 21.599 1.00 27.36 N ATOM 773 CA THR A 100 21.009 31.299 22.486 1.00 27.50 C ATOM 774 C THR A 100 21.169 32.790 22.774 1.00 29.54 C ATOM 775 O THR A 100 22.272 33.260 23.062 1.00 28.28 O ATOM 776 CB THR A 100 21.019 30.511 23.800 1.00 33.76 C ATOM 777 OG1 THR A 100 20.922 29.111 23.523 1.00 34.71 O ATOM 778 CG2 THR A 100 19.839 30.931 24.699 1.00 33.80 C ATOM 0 H THR A 100 22.666 30.334 21.977 1.00 27.36 H new ATOM 0 HA THR A 100 20.159 31.162 22.039 1.00 27.50 H new ATOM 0 HB THR A 100 21.850 30.701 24.263 1.00 33.76 H new ATOM 0 HG1 THR A 100 20.929 28.681 24.245 1.00 34.71 H new ATOM 0 HG21 THR A 100 19.863 30.422 25.524 1.00 33.80 H new ATOM 0 HG22 THR A 100 19.907 31.877 24.902 1.00 33.80 H new ATOM 0 HG23 THR A 100 19.003 30.759 24.238 1.00 33.80 H new ATOM 779 N MET A 101 20.063 33.532 22.703 1.00 27.50 N ATOM 780 CA MET A 101 20.044 34.959 22.990 1.00 28.90 C ATOM 781 C MET A 101 19.644 35.200 24.436 1.00 32.59 C ATOM 782 O MET A 101 19.039 34.334 25.072 1.00 35.35 O ATOM 783 CB MET A 101 19.063 35.677 22.063 1.00 28.35 C ATOM 784 CG MET A 101 19.398 35.596 20.558 1.00 33.06 C ATOM 785 SD MET A 101 20.810 36.608 20.052 1.00 27.49 S ATOM 786 CE MET A 101 22.077 35.379 19.968 1.00 23.37 C ATOM 0 H MET A 101 19.295 33.213 22.484 1.00 27.50 H new ATOM 0 HA MET A 101 20.936 35.311 22.842 1.00 28.90 H new ATOM 0 HB2 MET A 101 18.178 35.306 22.203 1.00 28.35 H new ATOM 0 HB3 MET A 101 19.022 36.611 22.320 1.00 28.35 H new ATOM 0 HG2 MET A 101 19.577 34.671 20.327 1.00 33.06 H new ATOM 0 HG3 MET A 101 18.619 35.870 20.049 1.00 33.06 H new ATOM 0 HE1 MET A 101 22.895 35.731 20.353 1.00 23.37 H new ATOM 0 HE2 MET A 101 21.799 34.593 20.463 1.00 23.37 H new ATOM 0 HE3 MET A 101 22.234 35.138 19.042 1.00 23.37 H new ATOM 787 N PRO A 102 19.972 36.365 24.993 1.00 36.07 N ATOM 788 CA PRO A 102 19.432 36.706 26.315 1.00 37.10 C ATOM 789 C PRO A 102 17.911 36.742 26.268 1.00 40.41 C ATOM 790 O PRO A 102 17.308 37.163 25.279 1.00 37.62 O ATOM 791 CB PRO A 102 20.034 38.086 26.611 1.00 39.61 C ATOM 792 CG PRO A 102 20.525 38.607 25.287 1.00 38.04 C ATOM 793 CD PRO A 102 20.904 37.389 24.492 1.00 36.40 C ATOM 0 HA PRO A 102 19.655 36.061 27.004 1.00 37.10 H new ATOM 0 HB2 PRO A 102 19.371 38.680 26.995 1.00 39.61 H new ATOM 0 HB3 PRO A 102 20.760 38.020 27.251 1.00 39.61 H new ATOM 0 HG2 PRO A 102 19.835 39.118 24.835 1.00 38.04 H new ATOM 0 HG3 PRO A 102 21.285 39.198 25.404 1.00 38.04 H new ATOM 0 HD2 PRO A 102 20.799 37.535 23.539 1.00 36.40 H new ATOM 0 HD3 PRO A 102 21.829 37.137 24.640 1.00 36.40 H new ATOM 794 N GLU A 103 17.288 36.264 27.346 1.00 46.48 N ATOM 795 CA GLU A 103 15.833 36.154 27.357 1.00 45.93 C ATOM 796 C GLU A 103 15.173 37.517 27.524 1.00 48.93 C ATOM 797 O GLU A 103 14.193 37.827 26.836 1.00 49.34 O ATOM 798 CB GLU A 103 15.398 35.199 28.468 1.00 50.27 C ATOM 799 CG GLU A 103 14.037 34.573 28.260 1.00 54.17 C ATOM 800 CD GLU A 103 13.527 33.882 29.512 1.00 58.88 C ATOM 801 OE1 GLU A 103 12.294 33.739 29.653 1.00 61.88 O ATOM 802 OE2 GLU A 103 14.361 33.481 30.353 1.00 60.74 O ATOM 0 H GLU A 103 17.681 36.004 28.065 1.00 46.48 H new ATOM 0 HA GLU A 103 15.545 35.798 26.502 1.00 45.93 H new ATOM 0 HB2 GLU A 103 16.058 34.492 28.548 1.00 50.27 H new ATOM 0 HB3 GLU A 103 15.395 35.681 29.310 1.00 50.27 H new ATOM 0 HG2 GLU A 103 13.405 35.258 27.990 1.00 54.17 H new ATOM 0 HG3 GLU A 103 14.086 33.931 27.535 1.00 54.17 H new ATOM 803 N PHE A 104 15.710 38.352 28.410 1.00 50.85 N ATOM 804 CA PHE A 104 15.088 39.615 28.774 1.00 55.15 C ATOM 805 C PHE A 104 16.119 40.733 28.790 1.00 59.43 C ATOM 806 O PHE A 104 17.329 40.498 28.875 1.00 59.26 O ATOM 807 CB PHE A 104 14.432 39.541 30.160 1.00 59.03 C ATOM 808 CG PHE A 104 13.210 38.673 30.214 1.00 57.57 C ATOM 809 CD1 PHE A 104 11.991 39.142 29.757 1.00 58.31 C ATOM 810 CD2 PHE A 104 13.277 37.395 30.739 1.00 58.80 C ATOM 811 CE1 PHE A 104 10.861 38.349 29.810 1.00 61.44 C ATOM 812 CE2 PHE A 104 12.148 36.596 30.800 1.00 60.88 C ATOM 813 CZ PHE A 104 10.940 37.073 30.332 1.00 60.08 C ATOM 0 H PHE A 104 16.451 38.198 28.818 1.00 50.85 H new ATOM 0 HA PHE A 104 14.407 39.797 28.108 1.00 55.15 H new ATOM 0 HB2 PHE A 104 15.082 39.207 30.798 1.00 59.03 H new ATOM 0 HB3 PHE A 104 14.193 40.438 30.442 1.00 59.03 H new ATOM 0 HD1 PHE A 104 11.932 40.003 29.410 1.00 58.31 H new ATOM 0 HD2 PHE A 104 14.089 37.069 31.054 1.00 58.80 H new ATOM 0 HE1 PHE A 104 10.049 38.674 29.495 1.00 61.44 H new ATOM 0 HE2 PHE A 104 12.203 35.739 31.156 1.00 60.88 H new ATOM 0 HZ PHE A 104 10.181 36.536 30.368 1.00 60.08 H new ATOM 814 N VAL A 105 15.614 41.959 28.717 1.00 59.38 N ATOM 815 CA VAL A 105 16.374 43.155 29.055 1.00 59.60 C ATOM 816 C VAL A 105 15.961 43.552 30.468 1.00 60.71 C ATOM 817 O VAL A 105 14.807 43.926 30.701 1.00 61.06 O ATOM 818 CB VAL A 105 16.120 44.291 28.056 1.00 55.85 C ATOM 819 CG1 VAL A 105 17.227 45.326 28.143 1.00 56.58 C ATOM 820 CG2 VAL A 105 15.997 43.738 26.647 1.00 58.65 C ATOM 0 H VAL A 105 14.808 42.122 28.466 1.00 59.38 H new ATOM 0 HA VAL A 105 17.326 42.976 29.012 1.00 59.60 H new ATOM 0 HB VAL A 105 15.283 44.726 28.282 1.00 55.85 H new ATOM 0 HG11 VAL A 105 17.055 46.038 27.507 1.00 56.58 H new ATOM 0 HG12 VAL A 105 17.256 45.694 29.040 1.00 56.58 H new ATOM 0 HG13 VAL A 105 18.078 44.908 27.937 1.00 56.58 H new ATOM 0 HG21 VAL A 105 15.837 44.466 26.026 1.00 58.65 H new ATOM 0 HG22 VAL A 105 16.818 43.282 26.405 1.00 58.65 H new ATOM 0 HG23 VAL A 105 15.257 43.112 26.608 1.00 58.65 H new ATOM 821 N GLU A 106 16.894 43.463 31.415 1.00 59.69 N ATOM 822 CA GLU A 106 16.592 43.753 32.811 1.00 61.42 C ATOM 823 C GLU A 106 16.206 45.224 32.978 1.00 60.51 C ATOM 824 O GLU A 106 16.450 46.041 32.087 1.00 54.42 O ATOM 825 CB GLU A 106 17.791 43.392 33.688 1.00 54.77 C ATOM 826 CG GLU A 106 18.153 41.906 33.637 1.00 49.70 C ATOM 827 CD GLU A 106 19.650 41.663 33.530 1.00 52.84 C ATOM 828 OE1 GLU A 106 20.062 40.478 33.482 1.00 56.72 O ATOM 829 OE2 GLU A 106 20.414 42.655 33.496 1.00 53.06 O ATOM 0 H GLU A 106 17.710 43.235 31.267 1.00 59.69 H new ATOM 0 HA GLU A 106 15.836 43.215 33.092 1.00 61.42 H new ATOM 0 HB2 GLU A 106 18.558 43.915 33.407 1.00 54.77 H new ATOM 0 HB3 GLU A 106 17.599 43.640 34.606 1.00 54.77 H new ATOM 0 HG2 GLU A 106 17.815 41.468 34.434 1.00 49.70 H new ATOM 0 HG3 GLU A 106 17.709 41.496 32.879 1.00 49.70 H new ATOM 830 N PRO A 107 15.542 45.575 34.082 1.00 61.67 N ATOM 831 CA PRO A 107 15.078 46.962 34.248 1.00 60.69 C ATOM 832 C PRO A 107 16.216 47.974 34.209 1.00 60.19 C ATOM 833 O PRO A 107 17.313 47.727 34.716 1.00 60.26 O ATOM 834 CB PRO A 107 14.399 46.941 35.621 1.00 60.62 C ATOM 835 CG PRO A 107 13.901 45.541 35.757 1.00 65.06 C ATOM 836 CD PRO A 107 14.943 44.674 35.087 1.00 59.99 C ATOM 0 HA PRO A 107 14.490 47.239 33.528 1.00 60.69 H new ATOM 0 HB2 PRO A 107 15.023 47.166 36.329 1.00 60.62 H new ATOM 0 HB3 PRO A 107 13.673 47.582 35.668 1.00 60.62 H new ATOM 0 HG2 PRO A 107 13.792 45.298 36.690 1.00 65.06 H new ATOM 0 HG3 PRO A 107 13.035 45.436 35.334 1.00 65.06 H new ATOM 0 HD2 PRO A 107 15.604 44.355 35.721 1.00 59.99 H new ATOM 0 HD3 PRO A 107 14.545 43.891 34.674 1.00 59.99 H new ATOM 837 N LYS A 108 15.930 49.134 33.605 1.00 59.18 N ATOM 838 CA LYS A 108 16.880 50.246 33.499 1.00 59.89 C ATOM 839 C LYS A 108 18.204 49.813 32.874 1.00 60.87 C ATOM 840 O LYS A 108 19.289 50.118 33.380 1.00 60.21 O ATOM 841 CB LYS A 108 17.091 50.910 34.858 1.00 52.41 C ATOM 842 CG LYS A 108 15.823 51.586 35.315 1.00 53.11 C ATOM 843 CD LYS A 108 16.090 52.889 36.045 1.00 52.91 C ATOM 844 CE LYS A 108 14.859 53.381 36.758 1.00 55.58 C ATOM 845 NZ LYS A 108 15.212 54.042 38.050 1.00 52.53 N ATOM 0 H LYS A 108 15.168 49.297 33.241 1.00 59.18 H new ATOM 0 HA LYS A 108 16.493 50.904 32.900 1.00 59.89 H new ATOM 0 HB2 LYS A 108 17.364 50.246 35.510 1.00 52.41 H new ATOM 0 HB3 LYS A 108 17.808 51.561 34.799 1.00 52.41 H new ATOM 0 HG2 LYS A 108 15.257 51.759 34.546 1.00 53.11 H new ATOM 0 HG3 LYS A 108 15.333 50.986 35.899 1.00 53.11 H new ATOM 0 HD2 LYS A 108 16.808 52.762 36.685 1.00 52.91 H new ATOM 0 HD3 LYS A 108 16.390 53.561 35.413 1.00 52.91 H new ATOM 0 HE2 LYS A 108 14.382 54.007 36.191 1.00 55.58 H new ATOM 0 HE3 LYS A 108 14.260 52.637 36.925 1.00 55.58 H new ATOM 0 HZ1 LYS A 108 14.470 54.324 38.452 1.00 52.53 H new ATOM 0 HZ2 LYS A 108 15.632 53.460 38.577 1.00 52.53 H new ATOM 0 HZ3 LYS A 108 15.745 54.737 37.892 1.00 52.53 H new ATOM 846 N THR A 109 18.101 49.131 31.730 1.00 56.38 N ATOM 847 CA THR A 109 19.240 48.514 31.066 1.00 59.12 C ATOM 848 C THR A 109 19.211 48.789 29.565 1.00 56.75 C ATOM 849 O THR A 109 18.152 48.739 28.933 1.00 52.03 O ATOM 850 CB THR A 109 19.263 46.987 31.300 1.00 60.07 C ATOM 851 OG1 THR A 109 19.312 46.710 32.707 1.00 58.95 O ATOM 852 CG2 THR A 109 20.470 46.337 30.621 1.00 56.67 C ATOM 0 H THR A 109 17.356 49.015 31.317 1.00 56.38 H new ATOM 0 HA THR A 109 20.041 48.905 31.449 1.00 59.12 H new ATOM 0 HB THR A 109 18.454 46.616 30.914 1.00 60.07 H new ATOM 0 HG1 THR A 109 18.623 47.017 33.077 1.00 58.95 H new ATOM 0 HG21 THR A 109 20.458 45.381 30.785 1.00 56.67 H new ATOM 0 HG22 THR A 109 20.432 46.501 29.666 1.00 56.67 H new ATOM 0 HG23 THR A 109 21.287 46.716 30.981 1.00 56.67 H new ATOM 853 N LYS A 110 20.386 49.085 29.007 1.00 56.41 N ATOM 854 CA LYS A 110 20.644 48.963 27.577 1.00 54.18 C ATOM 855 C LYS A 110 21.482 47.711 27.361 1.00 53.05 C ATOM 856 O LYS A 110 22.516 47.528 28.018 1.00 56.18 O ATOM 857 CB LYS A 110 21.370 50.187 27.016 1.00 54.45 C ATOM 858 CG LYS A 110 21.655 50.100 25.520 1.00 52.07 C ATOM 859 CD LYS A 110 22.297 51.381 25.008 1.00 56.68 C ATOM 860 CE LYS A 110 22.402 51.388 23.492 1.00 53.83 C ATOM 861 NZ LYS A 110 21.536 52.429 22.854 1.00 60.85 N ATOM 0 H LYS A 110 21.063 49.366 29.457 1.00 56.41 H new ATOM 0 HA LYS A 110 19.798 48.902 27.106 1.00 54.18 H new ATOM 0 HB2 LYS A 110 20.836 50.978 27.190 1.00 54.45 H new ATOM 0 HB3 LYS A 110 22.208 50.301 27.491 1.00 54.45 H new ATOM 0 HG2 LYS A 110 22.241 49.348 25.343 1.00 52.07 H new ATOM 0 HG3 LYS A 110 20.829 49.935 25.040 1.00 52.07 H new ATOM 0 HD2 LYS A 110 21.775 52.144 25.300 1.00 56.68 H new ATOM 0 HD3 LYS A 110 23.181 51.477 25.395 1.00 56.68 H new ATOM 0 HE2 LYS A 110 23.325 51.541 23.237 1.00 53.83 H new ATOM 0 HE3 LYS A 110 22.154 50.514 23.151 1.00 53.83 H new ATOM 0 HZ1 LYS A 110 21.632 52.394 21.970 1.00 60.85 H new ATOM 0 HZ2 LYS A 110 20.685 52.278 23.066 1.00 60.85 H new ATOM 0 HZ3 LYS A 110 21.776 53.235 23.146 1.00 60.85 H new ATOM 862 N LEU A 111 21.024 46.844 26.467 1.00 52.37 N ATOM 863 CA LEU A 111 21.623 45.533 26.261 1.00 50.55 C ATOM 864 C LEU A 111 22.226 45.461 24.866 1.00 45.15 C ATOM 865 O LEU A 111 21.568 45.812 23.882 1.00 41.70 O ATOM 866 CB LEU A 111 20.580 44.428 26.451 1.00 48.45 C ATOM 867 CG LEU A 111 21.007 42.979 26.251 1.00 49.33 C ATOM 868 CD1 LEU A 111 20.365 42.090 27.302 1.00 51.18 C ATOM 869 CD2 LEU A 111 20.631 42.510 24.855 1.00 48.93 C ATOM 0 H LEU A 111 20.349 47.002 25.958 1.00 52.37 H new ATOM 0 HA LEU A 111 22.325 45.400 26.917 1.00 50.55 H new ATOM 0 HB2 LEU A 111 20.226 44.509 27.350 1.00 48.45 H new ATOM 0 HB3 LEU A 111 19.848 44.606 25.840 1.00 48.45 H new ATOM 0 HG LEU A 111 21.970 42.921 26.348 1.00 49.33 H new ATOM 0 HD11 LEU A 111 20.644 41.171 27.164 1.00 51.18 H new ATOM 0 HD12 LEU A 111 20.640 42.382 28.185 1.00 51.18 H new ATOM 0 HD13 LEU A 111 19.399 42.148 27.229 1.00 51.18 H new ATOM 0 HD21 LEU A 111 20.907 41.587 24.738 1.00 48.93 H new ATOM 0 HD22 LEU A 111 19.670 42.577 24.739 1.00 48.93 H new ATOM 0 HD23 LEU A 111 21.075 43.066 24.196 1.00 48.93 H new ATOM 870 N ILE A 112 23.473 45.003 24.787 1.00 45.21 N ATOM 871 CA ILE A 112 24.171 44.799 23.523 1.00 38.70 C ATOM 872 C ILE A 112 24.609 43.345 23.460 1.00 33.50 C ATOM 873 O ILE A 112 25.275 42.856 24.379 1.00 39.39 O ATOM 874 CB ILE A 112 25.388 45.733 23.382 1.00 37.99 C ATOM 875 CG1 ILE A 112 25.012 47.175 23.735 1.00 44.14 C ATOM 876 CG2 ILE A 112 25.966 45.652 21.986 1.00 36.90 C ATOM 877 CD1 ILE A 112 25.464 47.598 25.121 1.00 50.47 C ATOM 0 H ILE A 112 23.943 44.799 25.478 1.00 45.21 H new ATOM 0 HA ILE A 112 23.572 45.009 22.790 1.00 38.70 H new ATOM 0 HB ILE A 112 26.069 45.439 24.008 1.00 37.99 H new ATOM 0 HG12 ILE A 112 25.403 47.773 23.079 1.00 44.14 H new ATOM 0 HG13 ILE A 112 24.049 47.275 23.672 1.00 44.14 H new ATOM 0 HG21 ILE A 112 26.730 46.246 21.917 1.00 36.90 H new ATOM 0 HG22 ILE A 112 26.247 44.742 21.804 1.00 36.90 H new ATOM 0 HG23 ILE A 112 25.292 45.917 21.341 1.00 36.90 H new ATOM 0 HD11 ILE A 112 25.197 48.516 25.282 1.00 50.47 H new ATOM 0 HD12 ILE A 112 25.055 47.021 25.785 1.00 50.47 H new ATOM 0 HD13 ILE A 112 26.429 47.527 25.182 1.00 50.47 H new ATOM 878 N VAL A 113 24.232 42.657 22.387 1.00 32.91 N ATOM 879 CA VAL A 113 24.776 41.341 22.068 1.00 27.75 C ATOM 880 C VAL A 113 25.784 41.519 20.941 1.00 24.95 C ATOM 881 O VAL A 113 25.426 41.990 19.858 1.00 26.48 O ATOM 882 CB VAL A 113 23.682 40.345 21.646 1.00 30.81 C ATOM 883 CG1 VAL A 113 24.235 38.934 21.681 1.00 26.42 C ATOM 884 CG2 VAL A 113 22.457 40.463 22.534 1.00 34.09 C ATOM 0 H VAL A 113 23.651 42.942 21.821 1.00 32.91 H new ATOM 0 HA VAL A 113 25.196 40.971 22.860 1.00 27.75 H new ATOM 0 HB VAL A 113 23.406 40.556 20.740 1.00 30.81 H new ATOM 0 HG11 VAL A 113 23.543 38.308 21.415 1.00 26.42 H new ATOM 0 HG12 VAL A 113 24.985 38.865 21.070 1.00 26.42 H new ATOM 0 HG13 VAL A 113 24.531 38.724 22.581 1.00 26.42 H new ATOM 0 HG21 VAL A 113 21.785 39.825 22.246 1.00 34.09 H new ATOM 0 HG22 VAL A 113 22.705 40.278 23.453 1.00 34.09 H new ATOM 0 HG23 VAL A 113 22.097 41.361 22.471 1.00 34.09 H new ATOM 885 N ILE A 114 27.030 41.122 21.190 1.00 29.30 N ATOM 886 CA ILE A 114 28.100 41.143 20.197 1.00 26.99 C ATOM 887 C ILE A 114 28.379 39.699 19.817 1.00 21.85 C ATOM 888 O ILE A 114 28.704 38.877 20.684 1.00 23.10 O ATOM 889 CB ILE A 114 29.377 41.812 20.732 1.00 25.41 C ATOM 890 CG1 ILE A 114 29.072 43.214 21.261 1.00 28.02 C ATOM 891 CG2 ILE A 114 30.464 41.826 19.628 1.00 24.55 C ATOM 892 CD1 ILE A 114 28.746 44.214 20.192 1.00 33.60 C ATOM 0 H ILE A 114 27.281 40.827 21.958 1.00 29.30 H new ATOM 0 HA ILE A 114 27.822 41.666 19.429 1.00 26.99 H new ATOM 0 HB ILE A 114 29.721 41.298 21.480 1.00 25.41 H new ATOM 0 HG12 ILE A 114 28.326 43.161 21.879 1.00 28.02 H new ATOM 0 HG13 ILE A 114 29.837 43.532 21.766 1.00 28.02 H new ATOM 0 HG21 ILE A 114 31.267 42.249 19.970 1.00 24.55 H new ATOM 0 HG22 ILE A 114 30.667 40.916 19.362 1.00 24.55 H new ATOM 0 HG23 ILE A 114 30.140 42.322 18.860 1.00 24.55 H new ATOM 0 HD11 ILE A 114 28.565 45.076 20.599 1.00 33.60 H new ATOM 0 HD12 ILE A 114 29.498 44.296 19.585 1.00 33.60 H new ATOM 0 HD13 ILE A 114 27.964 43.919 19.700 1.00 33.60 H new ATOM 893 N LEU A 115 28.230 39.382 18.534 1.00 20.70 N ATOM 894 CA LEU A 115 28.394 38.024 18.034 1.00 21.40 C ATOM 895 C LEU A 115 29.723 37.920 17.295 1.00 18.86 C ATOM 896 O LEU A 115 29.944 38.648 16.324 1.00 20.49 O ATOM 897 CB LEU A 115 27.227 37.662 17.113 1.00 20.28 C ATOM 898 CG LEU A 115 25.919 37.725 17.904 1.00 27.06 C ATOM 899 CD1 LEU A 115 24.798 38.342 17.094 1.00 29.80 C ATOM 900 CD2 LEU A 115 25.537 36.341 18.369 1.00 26.37 C ATOM 0 H LEU A 115 28.029 39.955 17.925 1.00 20.70 H new ATOM 0 HA LEU A 115 28.397 37.398 18.775 1.00 21.40 H new ATOM 0 HB2 LEU A 115 27.192 38.275 16.362 1.00 20.28 H new ATOM 0 HB3 LEU A 115 27.354 36.772 16.748 1.00 20.28 H new ATOM 0 HG LEU A 115 26.062 38.296 18.675 1.00 27.06 H new ATOM 0 HD11 LEU A 115 23.988 38.365 17.627 1.00 29.80 H new ATOM 0 HD12 LEU A 115 25.042 39.245 16.839 1.00 29.80 H new ATOM 0 HD13 LEU A 115 24.645 37.812 16.296 1.00 29.80 H new ATOM 0 HD21 LEU A 115 24.708 36.385 18.870 1.00 26.37 H new ATOM 0 HD22 LEU A 115 25.419 35.762 17.600 1.00 26.37 H new ATOM 0 HD23 LEU A 115 26.238 35.985 18.937 1.00 26.37 H new ATOM 901 N THR A 116 30.608 37.029 17.754 1.00 16.66 N ATOM 902 CA THR A 116 31.922 36.875 17.130 1.00 17.57 C ATOM 903 C THR A 116 32.232 35.412 16.856 1.00 19.56 C ATOM 904 O THR A 116 31.676 34.511 17.483 1.00 21.74 O ATOM 905 CB THR A 116 33.057 37.428 18.004 1.00 17.93 C ATOM 906 OG1 THR A 116 33.043 36.769 19.280 1.00 22.35 O ATOM 907 CG2 THR A 116 32.935 38.922 18.183 1.00 20.02 C ATOM 0 H THR A 116 30.466 36.507 18.423 1.00 16.66 H new ATOM 0 HA THR A 116 31.877 37.379 16.303 1.00 17.57 H new ATOM 0 HB THR A 116 33.901 37.254 17.559 1.00 17.93 H new ATOM 0 HG1 THR A 116 32.521 37.173 19.799 1.00 22.35 H new ATOM 0 HG21 THR A 116 33.663 39.242 18.738 1.00 20.02 H new ATOM 0 HG22 THR A 116 32.974 39.356 17.316 1.00 20.02 H new ATOM 0 HG23 THR A 116 32.089 39.129 18.610 1.00 20.02 H new ATOM 908 N ARG A 117 33.154 35.183 15.915 1.00 19.78 N ATOM 909 CA ARG A 117 33.704 33.843 15.728 1.00 19.01 C ATOM 910 C ARG A 117 35.127 33.943 15.202 1.00 22.14 C ATOM 911 O ARG A 117 35.511 34.935 14.578 1.00 22.83 O ATOM 912 CB ARG A 117 32.842 32.989 14.792 1.00 21.61 C ATOM 913 CG ARG A 117 32.783 33.436 13.368 1.00 20.82 C ATOM 914 CD ARG A 117 31.925 32.470 12.530 1.00 23.47 C ATOM 915 NE ARG A 117 31.508 33.082 11.268 1.00 24.40 N ATOM 916 CZ ARG A 117 30.474 32.670 10.541 1.00 23.06 C ATOM 917 NH1 ARG A 117 29.731 31.641 10.946 1.00 23.04 N ATOM 918 NH2 ARG A 117 30.183 33.282 9.402 1.00 29.66 N ATOM 0 H ARG A 117 33.468 35.782 15.384 1.00 19.78 H new ATOM 0 HA ARG A 117 33.707 33.400 16.591 1.00 19.01 H new ATOM 0 HB2 ARG A 117 33.177 32.079 14.813 1.00 21.61 H new ATOM 0 HB3 ARG A 117 31.938 32.967 15.143 1.00 21.61 H new ATOM 0 HG2 ARG A 117 32.411 34.331 13.320 1.00 20.82 H new ATOM 0 HG3 ARG A 117 33.680 33.481 13.001 1.00 20.82 H new ATOM 0 HD2 ARG A 117 32.430 31.662 12.348 1.00 23.47 H new ATOM 0 HD3 ARG A 117 31.142 32.207 13.038 1.00 23.47 H new ATOM 0 HE ARG A 117 31.962 33.752 10.977 1.00 24.40 H new ATOM 0 HH11 ARG A 117 29.919 31.238 11.682 1.00 23.04 H new ATOM 0 HH12 ARG A 117 29.063 31.379 10.471 1.00 23.04 H new ATOM 0 HH21 ARG A 117 30.663 33.944 9.135 1.00 29.66 H new ATOM 0 HH22 ARG A 117 29.515 33.017 8.930 1.00 29.66 H new ATOM 919 N ASN A 118 35.902 32.893 15.456 1.00 20.30 N ATOM 920 CA ASN A 118 37.245 32.784 14.897 1.00 21.54 C ATOM 921 C ASN A 118 37.153 32.326 13.454 1.00 24.16 C ATOM 922 O ASN A 118 36.325 31.481 13.110 1.00 22.60 O ATOM 923 CB ASN A 118 38.096 31.781 15.685 1.00 24.09 C ATOM 924 CG ASN A 118 38.377 32.227 17.115 1.00 34.27 C ATOM 925 OD1 ASN A 118 38.515 33.418 17.397 1.00 38.38 O ATOM 926 ND2 ASN A 118 38.480 31.259 18.023 1.00 40.20 N ATOM 0 H ASN A 118 35.667 32.231 15.952 1.00 20.30 H new ATOM 0 HA ASN A 118 37.667 33.656 14.951 1.00 21.54 H new ATOM 0 HB2 ASN A 118 37.642 30.924 15.703 1.00 24.09 H new ATOM 0 HB3 ASN A 118 38.938 31.646 15.223 1.00 24.09 H new ATOM 0 HD21 ASN A 118 38.649 31.455 18.843 1.00 40.20 H new ATOM 0 HD22 ASN A 118 38.377 30.438 17.789 1.00 40.20 H new ATOM 927 N GLU A 119 37.981 32.916 12.600 1.00 20.61 N ATOM 928 CA GLU A 119 38.093 32.490 11.213 1.00 19.12 C ATOM 929 C GLU A 119 39.577 32.324 10.928 1.00 23.54 C ATOM 930 O GLU A 119 40.373 33.214 11.240 1.00 22.69 O ATOM 931 CB GLU A 119 37.414 33.492 10.264 1.00 22.24 C ATOM 932 CG GLU A 119 35.916 33.653 10.561 1.00 22.61 C ATOM 933 CD GLU A 119 35.149 34.339 9.447 1.00 31.53 C ATOM 934 OE1 GLU A 119 35.792 34.841 8.505 1.00 29.84 O ATOM 935 OE2 GLU A 119 33.903 34.399 9.530 1.00 32.80 O ATOM 0 H GLU A 119 38.493 33.574 12.809 1.00 20.61 H new ATOM 0 HA GLU A 119 37.632 31.650 11.063 1.00 19.12 H new ATOM 0 HB2 GLU A 119 37.851 34.354 10.341 1.00 22.24 H new ATOM 0 HB3 GLU A 119 37.530 33.196 9.348 1.00 22.24 H new ATOM 0 HG2 GLU A 119 35.529 32.778 10.719 1.00 22.61 H new ATOM 0 HG3 GLU A 119 35.809 34.163 11.379 1.00 22.61 H new ATOM 936 N ASN A 120 39.954 31.165 10.401 1.00 20.88 N ATOM 937 CA ASN A 120 41.366 30.826 10.276 1.00 23.91 C ATOM 938 C ASN A 120 41.643 30.219 8.912 1.00 26.47 C ATOM 939 O ASN A 120 40.850 29.418 8.414 1.00 23.09 O ATOM 940 CB ASN A 120 41.811 29.819 11.346 1.00 24.24 C ATOM 941 CG ASN A 120 41.761 30.381 12.747 1.00 34.07 C ATOM 942 OD1 ASN A 120 42.755 30.914 13.248 1.00 39.45 O ATOM 943 ND2 ASN A 120 40.615 30.229 13.408 1.00 33.87 N ATOM 0 H ASN A 120 39.412 30.564 10.111 1.00 20.88 H new ATOM 0 HA ASN A 120 41.863 31.651 10.392 1.00 23.91 H new ATOM 0 HB2 ASN A 120 41.244 29.033 11.298 1.00 24.24 H new ATOM 0 HB3 ASN A 120 42.716 29.528 11.152 1.00 24.24 H new ATOM 0 HD21 ASN A 120 40.546 30.508 14.219 1.00 33.87 H new ATOM 0 HD22 ASN A 120 39.944 29.852 13.024 1.00 33.87 H new ATOM 944 N ILE A 121 42.782 30.569 8.325 1.00 20.52 N ATOM 945 CA ILE A 121 43.296 29.866 7.151 1.00 19.01 C ATOM 946 C ILE A 121 44.588 29.166 7.546 1.00 19.24 C ATOM 947 O ILE A 121 45.482 29.781 8.131 1.00 20.82 O ATOM 948 CB ILE A 121 43.513 30.811 5.955 1.00 24.52 C ATOM 949 CG1 ILE A 121 42.191 31.468 5.542 1.00 25.06 C ATOM 950 CG2 ILE A 121 44.073 30.039 4.766 1.00 24.16 C ATOM 951 CD1 ILE A 121 42.366 32.608 4.556 1.00 31.12 C ATOM 0 H ILE A 121 43.278 31.218 8.593 1.00 20.52 H new ATOM 0 HA ILE A 121 42.640 29.214 6.857 1.00 19.01 H new ATOM 0 HB ILE A 121 44.144 31.497 6.225 1.00 24.52 H new ATOM 0 HG12 ILE A 121 41.612 30.796 5.149 1.00 25.06 H new ATOM 0 HG13 ILE A 121 41.742 31.801 6.335 1.00 25.06 H new ATOM 0 HG21 ILE A 121 44.205 30.645 4.020 1.00 24.16 H new ATOM 0 HG22 ILE A 121 44.922 29.638 5.011 1.00 24.16 H new ATOM 0 HG23 ILE A 121 43.449 29.342 4.510 1.00 24.16 H new ATOM 0 HD11 ILE A 121 41.498 32.981 4.335 1.00 31.12 H new ATOM 0 HD12 ILE A 121 42.922 33.297 4.953 1.00 31.12 H new ATOM 0 HD13 ILE A 121 42.790 32.276 3.749 1.00 31.12 H new ATOM 952 N THR A 122 44.675 27.871 7.252 1.00 18.25 N ATOM 953 CA THR A 122 45.904 27.116 7.448 1.00 19.36 C ATOM 954 C THR A 122 46.194 26.344 6.171 1.00 20.07 C ATOM 955 O THR A 122 45.302 26.106 5.356 1.00 20.96 O ATOM 956 CB THR A 122 45.806 26.147 8.630 1.00 24.72 C ATOM 957 OG1 THR A 122 44.689 25.255 8.435 1.00 26.07 O ATOM 958 CG2 THR A 122 45.636 26.918 9.939 1.00 23.10 C ATOM 0 H THR A 122 44.023 27.408 6.934 1.00 18.25 H new ATOM 0 HA THR A 122 46.621 27.737 7.651 1.00 19.36 H new ATOM 0 HB THR A 122 46.625 25.630 8.680 1.00 24.72 H new ATOM 0 HG1 THR A 122 43.981 25.634 8.683 1.00 26.07 H new ATOM 0 HG21 THR A 122 45.575 26.292 10.678 1.00 23.10 H new ATOM 0 HG22 THR A 122 46.399 27.502 10.072 1.00 23.10 H new ATOM 0 HG23 THR A 122 44.826 27.450 9.899 1.00 23.10 H new ATOM 959 N SER A 123 47.459 25.983 5.980 1.00 19.32 N ATOM 960 CA SER A 123 47.848 25.261 4.775 1.00 18.24 C ATOM 961 C SER A 123 48.979 24.302 5.130 1.00 21.12 C ATOM 962 O SER A 123 49.718 24.535 6.089 1.00 19.71 O ATOM 963 CB SER A 123 48.268 26.223 3.656 1.00 21.16 C ATOM 964 OG SER A 123 49.291 27.112 4.086 1.00 21.94 O ATOM 0 H SER A 123 48.101 26.144 6.529 1.00 19.32 H new ATOM 0 HA SER A 123 47.088 24.760 4.440 1.00 18.24 H new ATOM 0 HB2 SER A 123 48.581 25.714 2.892 1.00 21.16 H new ATOM 0 HB3 SER A 123 47.498 26.733 3.361 1.00 21.16 H new ATOM 0 HG SER A 123 49.710 27.401 3.418 1.00 21.94 H new ATOM 965 N ALA A 124 49.098 23.207 4.374 1.00 17.32 N ATOM 966 CA ALA A 124 50.140 22.230 4.689 1.00 20.03 C ATOM 967 C ALA A 124 50.564 21.500 3.420 1.00 16.79 C ATOM 968 O ALA A 124 49.785 21.408 2.468 1.00 18.72 O ATOM 969 CB ALA A 124 49.670 21.217 5.743 1.00 17.72 C ATOM 0 H ALA A 124 48.603 23.016 3.697 1.00 17.32 H new ATOM 0 HA ALA A 124 50.897 22.711 5.059 1.00 20.03 H new ATOM 0 HB1 ALA A 124 50.384 20.586 5.927 1.00 17.72 H new ATOM 0 HB2 ALA A 124 49.434 21.685 6.559 1.00 17.72 H new ATOM 0 HB3 ALA A 124 48.895 20.739 5.409 1.00 17.72 H new ATOM 970 N PRO A 125 51.802 20.998 3.372 1.00 16.35 N ATOM 971 CA PRO A 125 52.223 20.181 2.227 1.00 18.25 C ATOM 972 C PRO A 125 51.525 18.830 2.209 1.00 18.57 C ATOM 973 O PRO A 125 51.194 18.254 3.244 1.00 20.01 O ATOM 974 CB PRO A 125 53.735 20.006 2.443 1.00 20.87 C ATOM 975 CG PRO A 125 54.115 20.972 3.556 1.00 21.43 C ATOM 976 CD PRO A 125 52.872 21.133 4.377 1.00 18.29 C ATOM 0 HA PRO A 125 52.001 20.597 1.379 1.00 18.25 H new ATOM 0 HB2 PRO A 125 53.947 19.092 2.689 1.00 20.87 H new ATOM 0 HB3 PRO A 125 54.227 20.202 1.630 1.00 20.87 H new ATOM 0 HG2 PRO A 125 54.845 20.622 4.090 1.00 21.43 H new ATOM 0 HG3 PRO A 125 54.410 21.823 3.196 1.00 21.43 H new ATOM 0 HD2 PRO A 125 52.806 20.455 5.068 1.00 18.29 H new ATOM 0 HD3 PRO A 125 52.843 21.995 4.822 1.00 18.29 H new ATOM 977 N VAL A 126 51.297 18.319 1.005 1.00 16.55 N ATOM 978 CA VAL A 126 50.679 17.006 0.832 1.00 17.56 C ATOM 979 C VAL A 126 51.567 16.211 -0.109 1.00 19.05 C ATOM 980 O VAL A 126 51.686 16.552 -1.293 1.00 19.75 O ATOM 981 CB VAL A 126 49.246 17.091 0.294 1.00 18.31 C ATOM 982 CG1 VAL A 126 48.635 15.707 0.274 1.00 22.43 C ATOM 983 CG2 VAL A 126 48.389 18.026 1.170 1.00 17.67 C ATOM 0 H VAL A 126 51.494 18.718 0.269 1.00 16.55 H new ATOM 0 HA VAL A 126 50.605 16.570 1.695 1.00 17.56 H new ATOM 0 HB VAL A 126 49.271 17.452 -0.606 1.00 18.31 H new ATOM 0 HG11 VAL A 126 47.728 15.758 -0.066 1.00 22.43 H new ATOM 0 HG12 VAL A 126 49.162 15.128 -0.299 1.00 22.43 H new ATOM 0 HG13 VAL A 126 48.622 15.346 1.174 1.00 22.43 H new ATOM 0 HG21 VAL A 126 47.487 18.067 0.814 1.00 17.67 H new ATOM 0 HG22 VAL A 126 48.363 17.685 2.078 1.00 17.67 H new ATOM 0 HG23 VAL A 126 48.777 18.915 1.170 1.00 17.67 H new ATOM 984 N GLU A 127 52.200 15.161 0.406 1.00 21.79 N ATOM 985 CA GLU A 127 53.025 14.319 -0.443 1.00 21.75 C ATOM 986 C GLU A 127 52.126 13.320 -1.165 1.00 21.48 C ATOM 987 O GLU A 127 51.340 12.605 -0.535 1.00 24.03 O ATOM 988 CB GLU A 127 54.131 13.644 0.380 1.00 24.54 C ATOM 989 CG GLU A 127 55.194 14.659 0.811 1.00 30.07 C ATOM 990 CD GLU A 127 56.387 14.049 1.523 1.00 36.56 C ATOM 991 OE1 GLU A 127 56.265 12.917 2.031 1.00 36.30 O ATOM 992 OE2 GLU A 127 57.445 14.714 1.578 1.00 37.08 O ATOM 0 H GLU A 127 52.164 14.924 1.232 1.00 21.79 H new ATOM 0 HA GLU A 127 53.478 14.853 -1.114 1.00 21.75 H new ATOM 0 HB2 GLU A 127 53.744 13.224 1.164 1.00 24.54 H new ATOM 0 HB3 GLU A 127 54.545 12.940 -0.144 1.00 24.54 H new ATOM 0 HG2 GLU A 127 55.508 15.136 0.027 1.00 30.07 H new ATOM 0 HG3 GLU A 127 54.782 15.314 1.396 1.00 30.07 H new ATOM 993 N ILE A 128 52.191 13.337 -2.498 1.00 20.07 N ATOM 994 CA ILE A 128 51.349 12.532 -3.373 1.00 23.82 C ATOM 995 C ILE A 128 52.261 11.599 -4.145 1.00 24.30 C ATOM 996 O ILE A 128 53.304 12.025 -4.640 1.00 22.67 O ATOM 997 CB ILE A 128 50.557 13.422 -4.356 1.00 22.55 C ATOM 998 CG1 ILE A 128 49.579 14.333 -3.606 1.00 27.14 C ATOM 999 CG2 ILE A 128 49.880 12.586 -5.444 1.00 32.35 C ATOM 1000 CD1 ILE A 128 48.755 13.620 -2.604 1.00 28.06 C ATOM 0 H ILE A 128 52.745 13.835 -2.928 1.00 20.07 H new ATOM 0 HA ILE A 128 50.704 12.035 -2.846 1.00 23.82 H new ATOM 0 HB ILE A 128 51.183 14.005 -4.813 1.00 22.55 H new ATOM 0 HG12 ILE A 128 50.079 15.036 -3.162 1.00 27.14 H new ATOM 0 HG13 ILE A 128 48.993 14.764 -4.248 1.00 27.14 H new ATOM 0 HG21 ILE A 128 49.392 13.171 -6.045 1.00 32.35 H new ATOM 0 HG22 ILE A 128 50.553 12.099 -5.944 1.00 32.35 H new ATOM 0 HG23 ILE A 128 49.265 11.958 -5.034 1.00 32.35 H new ATOM 0 HD11 ILE A 128 48.160 14.249 -2.167 1.00 28.06 H new ATOM 0 HD12 ILE A 128 48.231 12.933 -3.045 1.00 28.06 H new ATOM 0 HD13 ILE A 128 49.333 13.209 -1.942 1.00 28.06 H new ATOM 1001 N SER A 129 51.872 10.339 -4.273 1.00 26.36 N ATOM 1002 CA SER A 129 52.543 9.468 -5.223 1.00 25.29 C ATOM 1003 C SER A 129 51.491 8.693 -6.001 1.00 23.73 C ATOM 1004 O SER A 129 50.532 8.182 -5.417 1.00 25.56 O ATOM 1005 CB SER A 129 53.517 8.520 -4.525 1.00 30.36 C ATOM 1006 OG SER A 129 52.826 7.484 -3.871 1.00 37.39 O ATOM 0 H SER A 129 51.233 9.974 -3.828 1.00 26.36 H new ATOM 0 HA SER A 129 53.069 10.009 -5.833 1.00 25.29 H new ATOM 0 HB2 SER A 129 54.131 8.144 -5.175 1.00 30.36 H new ATOM 0 HB3 SER A 129 54.051 9.014 -3.883 1.00 30.36 H new ATOM 0 HG SER A 129 53.377 6.973 -3.495 1.00 37.39 H new ATOM 1007 N VAL A 130 51.649 8.656 -7.316 1.00 26.53 N ATOM 1008 CA VAL A 130 50.796 7.873 -8.200 1.00 27.07 C ATOM 1009 C VAL A 130 51.740 7.128 -9.136 1.00 27.75 C ATOM 1010 O VAL A 130 52.409 7.743 -9.975 1.00 26.34 O ATOM 1011 CB VAL A 130 49.778 8.735 -8.971 1.00 29.91 C ATOM 1012 CG1 VAL A 130 50.431 9.964 -9.580 1.00 31.14 C ATOM 1013 CG2 VAL A 130 49.083 7.915 -10.045 1.00 34.71 C ATOM 0 H VAL A 130 52.265 9.092 -7.728 1.00 26.53 H new ATOM 0 HA VAL A 130 50.247 7.259 -7.688 1.00 27.07 H new ATOM 0 HB VAL A 130 49.113 9.040 -8.334 1.00 29.91 H new ATOM 0 HG11 VAL A 130 49.764 10.483 -10.057 1.00 31.14 H new ATOM 0 HG12 VAL A 130 50.819 10.507 -8.876 1.00 31.14 H new ATOM 0 HG13 VAL A 130 51.127 9.689 -10.197 1.00 31.14 H new ATOM 0 HG21 VAL A 130 48.447 8.474 -10.518 1.00 34.71 H new ATOM 0 HG22 VAL A 130 49.742 7.575 -10.670 1.00 34.71 H new ATOM 0 HG23 VAL A 130 48.615 7.172 -9.633 1.00 34.71 H new ATOM 1014 N GLY A 131 51.832 5.814 -8.963 1.00 27.59 N ATOM 1015 CA GLY A 131 52.850 5.081 -9.708 1.00 27.47 C ATOM 1016 C GLY A 131 54.218 5.599 -9.319 1.00 25.39 C ATOM 1017 O GLY A 131 54.542 5.720 -8.136 1.00 28.02 O ATOM 0 H GLY A 131 51.337 5.343 -8.441 1.00 27.59 H new ATOM 0 HA2 GLY A 131 52.785 4.132 -9.518 1.00 27.47 H new ATOM 0 HA3 GLY A 131 52.710 5.190 -10.662 1.00 27.47 H new ATOM 1018 N ASP A 132 55.040 5.934 -10.306 1.00 21.85 N ATOM 1019 CA ASP A 132 56.354 6.474 -10.011 1.00 25.65 C ATOM 1020 C ASP A 132 56.370 7.996 -9.983 1.00 25.28 C ATOM 1021 O ASP A 132 57.440 8.590 -9.836 1.00 23.23 O ATOM 1022 CB ASP A 132 57.371 5.959 -11.024 1.00 25.74 C ATOM 1023 CG ASP A 132 56.987 6.293 -12.445 1.00 30.38 C ATOM 1024 OD1 ASP A 132 55.797 6.581 -12.697 1.00 34.37 O ATOM 1025 OD2 ASP A 132 57.881 6.245 -13.310 1.00 35.78 O ATOM 0 H ASP A 132 54.857 5.857 -11.143 1.00 21.85 H new ATOM 0 HA ASP A 132 56.593 6.170 -9.121 1.00 25.65 H new ATOM 0 HB2 ASP A 132 58.241 6.341 -10.828 1.00 25.74 H new ATOM 0 HB3 ASP A 132 57.457 4.997 -10.932 1.00 25.74 H new ATOM 1026 N ILE A 133 55.215 8.637 -10.118 1.00 25.54 N ATOM 1027 CA ILE A 133 55.139 10.092 -10.097 1.00 26.42 C ATOM 1028 C ILE A 133 55.018 10.553 -8.652 1.00 22.84 C ATOM 1029 O ILE A 133 54.182 10.042 -7.897 1.00 26.09 O ATOM 1030 CB ILE A 133 53.954 10.585 -10.945 1.00 24.40 C ATOM 1031 CG1 ILE A 133 54.190 10.229 -12.417 1.00 26.71 C ATOM 1032 CG2 ILE A 133 53.769 12.086 -10.801 1.00 26.45 C ATOM 1033 CD1 ILE A 133 52.951 10.362 -13.292 1.00 28.83 C ATOM 0 H ILE A 133 54.458 8.244 -10.224 1.00 25.54 H new ATOM 0 HA ILE A 133 55.944 10.470 -10.484 1.00 26.42 H new ATOM 0 HB ILE A 133 53.148 10.148 -10.629 1.00 24.40 H new ATOM 0 HG12 ILE A 133 54.888 10.802 -12.771 1.00 26.71 H new ATOM 0 HG13 ILE A 133 54.517 9.317 -12.471 1.00 26.71 H new ATOM 0 HG21 ILE A 133 53.018 12.373 -11.343 1.00 26.45 H new ATOM 0 HG22 ILE A 133 53.598 12.303 -9.871 1.00 26.45 H new ATOM 0 HG23 ILE A 133 54.573 12.541 -11.096 1.00 26.45 H new ATOM 0 HD11 ILE A 133 53.172 10.122 -14.205 1.00 28.83 H new ATOM 0 HD12 ILE A 133 52.257 9.770 -12.962 1.00 28.83 H new ATOM 0 HD13 ILE A 133 52.633 11.278 -13.267 1.00 28.83 H new ATOM 1034 N LYS A 134 55.865 11.506 -8.256 1.00 23.23 N ATOM 1035 CA LYS A 134 55.823 12.089 -6.921 1.00 24.07 C ATOM 1036 C LYS A 134 55.587 13.587 -7.043 1.00 25.53 C ATOM 1037 O LYS A 134 56.115 14.242 -7.951 1.00 28.01 O ATOM 1038 CB LYS A 134 57.121 11.830 -6.129 1.00 29.35 C ATOM 1039 CG LYS A 134 57.477 10.362 -5.968 1.00 30.09 C ATOM 1040 CD LYS A 134 58.506 10.162 -4.865 1.00 36.42 C ATOM 1041 CE LYS A 134 59.918 10.181 -5.416 1.00 37.63 C ATOM 1042 NZ LYS A 134 60.653 8.933 -5.039 1.00 40.48 N ATOM 0 H LYS A 134 56.482 11.831 -8.760 1.00 23.23 H new ATOM 0 HA LYS A 134 55.099 11.667 -6.432 1.00 24.07 H new ATOM 0 HB2 LYS A 134 57.854 12.282 -6.575 1.00 29.35 H new ATOM 0 HB3 LYS A 134 57.035 12.229 -5.249 1.00 29.35 H new ATOM 0 HG2 LYS A 134 56.677 9.853 -5.763 1.00 30.09 H new ATOM 0 HG3 LYS A 134 57.826 10.018 -6.805 1.00 30.09 H new ATOM 0 HD2 LYS A 134 58.408 10.860 -4.198 1.00 36.42 H new ATOM 0 HD3 LYS A 134 58.343 9.317 -4.418 1.00 36.42 H new ATOM 0 HE2 LYS A 134 59.892 10.266 -6.382 1.00 37.63 H new ATOM 0 HE3 LYS A 134 60.392 10.956 -5.076 1.00 37.63 H new ATOM 0 HZ1 LYS A 134 61.478 8.963 -5.371 1.00 40.48 H new ATOM 0 HZ2 LYS A 134 60.692 8.868 -4.152 1.00 40.48 H new ATOM 0 HZ3 LYS A 134 60.226 8.225 -5.369 1.00 40.48 H new ATOM 1043 N GLU A 135 54.758 14.116 -6.152 1.00 21.52 N ATOM 1044 CA GLU A 135 54.462 15.540 -6.135 1.00 18.77 C ATOM 1045 C GLU A 135 54.235 15.965 -4.694 1.00 20.08 C ATOM 1046 O GLU A 135 53.815 15.168 -3.861 1.00 21.39 O ATOM 1047 CB GLU A 135 53.220 15.867 -6.981 1.00 20.42 C ATOM 1048 CG GLU A 135 52.922 17.364 -7.074 1.00 18.51 C ATOM 1049 CD GLU A 135 54.036 18.102 -7.764 1.00 22.99 C ATOM 1050 OE1 GLU A 135 55.002 18.509 -7.082 1.00 23.05 O ATOM 1051 OE2 GLU A 135 53.976 18.246 -9.007 1.00 23.87 O ATOM 0 H GLU A 135 54.354 13.662 -5.544 1.00 21.52 H new ATOM 0 HA GLU A 135 55.210 16.023 -6.519 1.00 18.77 H new ATOM 0 HB2 GLU A 135 53.345 15.513 -7.876 1.00 20.42 H new ATOM 0 HB3 GLU A 135 52.451 15.414 -6.601 1.00 20.42 H new ATOM 0 HG2 GLU A 135 52.092 17.501 -7.558 1.00 18.51 H new ATOM 0 HG3 GLU A 135 52.794 17.726 -6.183 1.00 18.51 H new ATOM 1052 N THR A 136 54.513 17.227 -4.395 1.00 19.65 N ATOM 1053 CA THR A 136 54.101 17.796 -3.118 1.00 19.25 C ATOM 1054 C THR A 136 53.064 18.866 -3.435 1.00 16.52 C ATOM 1055 O THR A 136 53.404 19.939 -3.941 1.00 17.56 O ATOM 1056 CB THR A 136 55.288 18.356 -2.347 1.00 24.98 C ATOM 1057 OG1 THR A 136 56.260 17.317 -2.159 1.00 23.10 O ATOM 1058 CG2 THR A 136 54.830 18.879 -0.994 1.00 22.46 C ATOM 0 H THR A 136 54.936 17.768 -4.913 1.00 19.65 H new ATOM 0 HA THR A 136 53.719 17.116 -2.541 1.00 19.25 H new ATOM 0 HB THR A 136 55.682 19.087 -2.849 1.00 24.98 H new ATOM 0 HG1 THR A 136 56.918 17.622 -1.735 1.00 23.10 H new ATOM 0 HG21 THR A 136 55.592 19.234 -0.509 1.00 22.46 H new ATOM 0 HG22 THR A 136 54.174 19.582 -1.124 1.00 22.46 H new ATOM 0 HG23 THR A 136 54.432 18.156 -0.485 1.00 22.46 H new ATOM 1059 N ALA A 137 51.796 18.545 -3.180 1.00 16.20 N ATOM 1060 CA ALA A 137 50.711 19.498 -3.341 1.00 16.94 C ATOM 1061 C ALA A 137 50.598 20.350 -2.078 1.00 16.82 C ATOM 1062 O ALA A 137 51.360 20.184 -1.119 1.00 18.22 O ATOM 1063 CB ALA A 137 49.409 18.759 -3.657 1.00 20.13 C ATOM 0 H ALA A 137 51.545 17.768 -2.909 1.00 16.20 H new ATOM 0 HA ALA A 137 50.893 20.091 -4.087 1.00 16.94 H new ATOM 0 HB1 ALA A 137 48.690 19.401 -3.763 1.00 20.13 H new ATOM 0 HB2 ALA A 137 49.515 18.254 -4.478 1.00 20.13 H new ATOM 0 HB3 ALA A 137 49.196 18.153 -2.930 1.00 20.13 H new ATOM 1064 N THR A 138 49.648 21.283 -2.070 1.00 16.10 N ATOM 1065 CA THR A 138 49.394 22.117 -0.898 1.00 17.35 C ATOM 1066 C THR A 138 47.913 22.071 -0.554 1.00 17.80 C ATOM 1067 O THR A 138 47.060 22.345 -1.404 1.00 19.25 O ATOM 1068 CB THR A 138 49.823 23.570 -1.128 1.00 15.53 C ATOM 1069 OG1 THR A 138 51.225 23.611 -1.405 1.00 18.45 O ATOM 1070 CG2 THR A 138 49.552 24.396 0.130 1.00 18.43 C ATOM 0 H THR A 138 49.135 21.449 -2.740 1.00 16.10 H new ATOM 0 HA THR A 138 49.920 21.766 -0.163 1.00 17.35 H new ATOM 0 HB THR A 138 49.321 23.933 -1.874 1.00 15.53 H new ATOM 0 HG1 THR A 138 51.531 24.363 -1.190 1.00 18.45 H new ATOM 0 HG21 THR A 138 49.825 25.314 -0.021 1.00 18.43 H new ATOM 0 HG22 THR A 138 48.605 24.371 0.336 1.00 18.43 H new ATOM 0 HG23 THR A 138 50.054 24.028 0.874 1.00 18.43 H new ATOM 1071 N TYR A 139 47.620 21.723 0.693 1.00 16.41 N ATOM 1072 CA TYR A 139 46.264 21.678 1.227 1.00 18.07 C ATOM 1073 C TYR A 139 45.984 22.992 1.936 1.00 17.62 C ATOM 1074 O TYR A 139 46.860 23.527 2.618 1.00 17.74 O ATOM 1075 CB TYR A 139 46.110 20.497 2.202 1.00 17.42 C ATOM 1076 CG TYR A 139 44.917 20.616 3.129 1.00 18.45 C ATOM 1077 CD1 TYR A 139 43.629 20.299 2.684 1.00 18.59 C ATOM 1078 CD2 TYR A 139 45.072 21.046 4.449 1.00 18.60 C ATOM 1079 CE1 TYR A 139 42.521 20.421 3.542 1.00 18.46 C ATOM 1080 CE2 TYR A 139 43.976 21.166 5.307 1.00 21.19 C ATOM 1081 CZ TYR A 139 42.707 20.850 4.847 1.00 21.54 C ATOM 1082 OH TYR A 139 41.619 20.962 5.701 1.00 21.69 O ATOM 0 H TYR A 139 48.220 21.501 1.268 1.00 16.41 H new ATOM 0 HA TYR A 139 45.629 21.552 0.505 1.00 18.07 H new ATOM 0 HB2 TYR A 139 46.031 19.676 1.691 1.00 17.42 H new ATOM 0 HB3 TYR A 139 46.917 20.423 2.736 1.00 17.42 H new ATOM 0 HD1 TYR A 139 43.504 20.004 1.811 1.00 18.59 H new ATOM 0 HD2 TYR A 139 45.922 21.257 4.763 1.00 18.60 H new ATOM 0 HE1 TYR A 139 41.668 20.215 3.235 1.00 18.46 H new ATOM 0 HE2 TYR A 139 44.097 21.456 6.182 1.00 21.19 H new ATOM 0 HH TYR A 139 40.945 20.611 5.344 1.00 21.69 H new ATOM 1083 N ILE A 140 44.779 23.526 1.749 1.00 18.37 N ATOM 1084 CA ILE A 140 44.361 24.780 2.368 1.00 18.16 C ATOM 1085 C ILE A 140 43.030 24.548 3.068 1.00 19.05 C ATOM 1086 O ILE A 140 42.099 23.976 2.482 1.00 21.14 O ATOM 1087 CB ILE A 140 44.222 25.919 1.335 1.00 18.73 C ATOM 1088 CG1 ILE A 140 45.528 26.146 0.559 1.00 19.14 C ATOM 1089 CG2 ILE A 140 43.788 27.208 2.027 1.00 21.76 C ATOM 1090 CD1 ILE A 140 45.344 26.973 -0.714 1.00 24.90 C ATOM 0 H ILE A 140 44.175 23.166 1.254 1.00 18.37 H new ATOM 0 HA ILE A 140 45.041 25.055 3.003 1.00 18.16 H new ATOM 0 HB ILE A 140 43.542 25.655 0.695 1.00 18.73 H new ATOM 0 HG12 ILE A 140 46.166 26.593 1.137 1.00 19.14 H new ATOM 0 HG13 ILE A 140 45.911 25.286 0.325 1.00 19.14 H new ATOM 0 HG21 ILE A 140 43.704 27.916 1.369 1.00 21.76 H new ATOM 0 HG22 ILE A 140 42.933 27.069 2.463 1.00 21.76 H new ATOM 0 HG23 ILE A 140 44.451 27.459 2.689 1.00 21.76 H new ATOM 0 HD11 ILE A 140 46.200 27.081 -1.157 1.00 24.90 H new ATOM 0 HD12 ILE A 140 44.728 26.518 -1.309 1.00 24.90 H new ATOM 0 HD13 ILE A 140 44.987 27.845 -0.485 1.00 24.90 H new ATOM 1091 N CYS A 141 42.947 24.987 4.325 1.00 19.21 N ATOM 1092 CA CYS A 141 41.746 24.896 5.145 1.00 17.90 C ATOM 1093 C CYS A 141 41.293 26.306 5.510 1.00 21.66 C ATOM 1094 O CYS A 141 42.044 27.057 6.127 1.00 21.93 O ATOM 1095 CB CYS A 141 42.012 24.099 6.428 1.00 19.32 C ATOM 1096 SG CYS A 141 40.494 23.857 7.383 1.00 25.43 S ATOM 0 H CYS A 141 43.609 25.356 4.732 1.00 19.21 H new ATOM 0 HA CYS A 141 41.057 24.436 4.640 1.00 17.90 H new ATOM 0 HB2 CYS A 141 42.394 23.237 6.202 1.00 19.32 H new ATOM 0 HB3 CYS A 141 42.666 24.566 6.971 1.00 19.32 H new ATOM 0 HG CYS A 141 40.127 22.720 7.270 1.00 25.43 H new ATOM 1097 N GLN A 142 40.083 26.671 5.118 1.00 20.05 N ATOM 1098 CA GLN A 142 39.473 27.943 5.520 1.00 20.50 C ATOM 1099 C GLN A 142 38.359 27.594 6.489 1.00 22.31 C ATOM 1100 O GLN A 142 37.298 27.130 6.066 1.00 23.69 O ATOM 1101 CB GLN A 142 38.935 28.706 4.320 1.00 21.76 C ATOM 1102 CG GLN A 142 40.018 29.313 3.466 1.00 30.53 C ATOM 1103 CD GLN A 142 39.865 29.004 1.998 1.00 37.52 C ATOM 1104 OE1 GLN A 142 39.023 28.194 1.593 1.00 35.19 O ATOM 1105 NE2 GLN A 142 40.692 29.648 1.179 1.00 42.38 N ATOM 0 H GLN A 142 39.584 26.190 4.608 1.00 20.05 H new ATOM 0 HA GLN A 142 40.129 28.524 5.935 1.00 20.50 H new ATOM 0 HB2 GLN A 142 38.401 28.106 3.776 1.00 21.76 H new ATOM 0 HB3 GLN A 142 38.344 29.410 4.630 1.00 21.76 H new ATOM 0 HG2 GLN A 142 40.017 30.275 3.589 1.00 30.53 H new ATOM 0 HG3 GLN A 142 40.880 28.989 3.770 1.00 30.53 H new ATOM 0 HE21 GLN A 142 41.265 30.205 1.497 1.00 42.38 H new ATOM 0 HE22 GLN A 142 40.653 29.508 0.331 1.00 42.38 H new ATOM 1106 N SER A 143 38.599 27.808 7.784 1.00 21.22 N ATOM 1107 CA SER A 143 37.672 27.350 8.813 1.00 24.17 C ATOM 1108 C SER A 143 37.018 28.504 9.566 1.00 24.61 C ATOM 1109 O SER A 143 37.576 29.599 9.699 1.00 23.94 O ATOM 1110 CB SER A 143 38.357 26.411 9.825 1.00 24.86 C ATOM 1111 OG SER A 143 39.578 26.958 10.280 1.00 33.21 O ATOM 0 H SER A 143 39.293 28.217 8.085 1.00 21.22 H new ATOM 0 HA SER A 143 36.981 26.860 8.341 1.00 24.17 H new ATOM 0 HB2 SER A 143 37.767 26.258 10.579 1.00 24.86 H new ATOM 0 HB3 SER A 143 38.519 25.549 9.412 1.00 24.86 H new ATOM 0 HG SER A 143 39.441 27.412 10.973 1.00 33.21 H new ATOM 1112 N GLN A 144 35.812 28.229 10.060 1.00 24.37 N ATOM 1113 CA GLN A 144 35.058 29.122 10.925 1.00 23.48 C ATOM 1114 C GLN A 144 34.714 28.373 12.203 1.00 22.55 C ATOM 1115 O GLN A 144 34.295 27.211 12.151 1.00 23.82 O ATOM 1116 CB GLN A 144 33.761 29.597 10.253 1.00 22.92 C ATOM 1117 CG GLN A 144 33.923 30.229 8.872 1.00 27.25 C ATOM 1118 CD GLN A 144 32.595 30.660 8.284 1.00 28.47 C ATOM 1119 OE1 GLN A 144 31.561 30.048 8.554 1.00 27.61 O ATOM 1120 NE2 GLN A 144 32.612 31.721 7.475 1.00 29.44 N ATOM 0 H GLN A 144 35.400 27.493 9.893 1.00 24.37 H new ATOM 0 HA GLN A 144 35.600 29.904 11.113 1.00 23.48 H new ATOM 0 HB2 GLN A 144 33.160 28.839 10.175 1.00 22.92 H new ATOM 0 HB3 GLN A 144 33.331 30.241 10.837 1.00 22.92 H new ATOM 0 HG2 GLN A 144 34.512 30.997 8.936 1.00 27.25 H new ATOM 0 HG3 GLN A 144 34.349 29.594 8.275 1.00 27.25 H new ATOM 0 HE21 GLN A 144 33.354 32.124 7.309 1.00 29.44 H new ATOM 0 HE22 GLN A 144 31.881 32.002 7.119 1.00 29.44 H new ATOM 1121 N SER A 145 34.894 29.027 13.343 1.00 22.71 N ATOM 1122 CA SER A 145 34.521 28.455 14.626 1.00 24.55 C ATOM 1123 C SER A 145 33.040 28.688 14.919 1.00 25.37 C ATOM 1124 O SER A 145 32.333 29.384 14.188 1.00 22.72 O ATOM 1125 CB SER A 145 35.356 29.068 15.741 1.00 23.13 C ATOM 1126 OG SER A 145 34.830 30.343 16.106 1.00 25.70 O ATOM 0 H SER A 145 35.236 29.815 13.393 1.00 22.71 H new ATOM 0 HA SER A 145 34.686 27.500 14.584 1.00 24.55 H new ATOM 0 HB2 SER A 145 35.360 28.480 16.512 1.00 23.13 H new ATOM 0 HB3 SER A 145 36.277 29.162 15.451 1.00 23.13 H new ATOM 0 HG SER A 145 35.102 30.549 16.873 1.00 25.70 H new ATOM 1127 N GLY A 146 32.573 28.083 16.013 1.00 25.40 N ATOM 1128 CA GLY A 146 31.276 28.441 16.554 1.00 23.55 C ATOM 1129 C GLY A 146 31.245 29.884 17.019 1.00 23.75 C ATOM 1130 O GLY A 146 32.273 30.499 17.318 1.00 23.36 O ATOM 0 H GLY A 146 32.991 27.470 16.448 1.00 25.40 H new ATOM 0 HA2 GLY A 146 30.593 28.303 15.879 1.00 23.55 H new ATOM 0 HA3 GLY A 146 31.062 27.856 17.297 1.00 23.55 H new ATOM 1131 N ILE A 147 30.048 30.439 17.045 1.00 18.12 N ATOM 1132 CA ILE A 147 29.854 31.847 17.366 1.00 19.20 C ATOM 1133 C ILE A 147 29.691 32.010 18.872 1.00 22.81 C ATOM 1134 O ILE A 147 28.989 31.229 19.528 1.00 24.93 O ATOM 1135 CB ILE A 147 28.643 32.404 16.599 1.00 19.72 C ATOM 1136 CG1 ILE A 147 29.069 32.665 15.150 1.00 21.74 C ATOM 1137 CG2 ILE A 147 28.089 33.664 17.272 1.00 21.88 C ATOM 1138 CD1 ILE A 147 27.969 33.118 14.268 1.00 24.38 C ATOM 0 H ILE A 147 29.320 30.012 16.877 1.00 18.12 H new ATOM 0 HA ILE A 147 30.633 32.355 17.090 1.00 19.20 H new ATOM 0 HB ILE A 147 27.921 31.757 16.607 1.00 19.72 H new ATOM 0 HG12 ILE A 147 29.771 33.334 15.145 1.00 21.74 H new ATOM 0 HG13 ILE A 147 29.450 31.852 14.784 1.00 21.74 H new ATOM 0 HG21 ILE A 147 27.328 33.992 16.768 1.00 21.88 H new ATOM 0 HG22 ILE A 147 27.810 33.452 18.176 1.00 21.88 H new ATOM 0 HG23 ILE A 147 28.778 34.347 17.298 1.00 21.88 H new ATOM 0 HD11 ILE A 147 28.311 33.262 13.372 1.00 24.38 H new ATOM 0 HD12 ILE A 147 27.274 32.442 14.243 1.00 24.38 H new ATOM 0 HD13 ILE A 147 27.600 33.947 14.610 1.00 24.38 H new ATOM 1139 N ASN A 148 30.345 33.030 19.417 1.00 21.62 N ATOM 1140 CA ASN A 148 30.155 33.451 20.795 1.00 28.17 C ATOM 1141 C ASN A 148 29.269 34.690 20.851 1.00 28.72 C ATOM 1142 O ASN A 148 29.429 35.615 20.051 1.00 24.22 O ATOM 1143 CB ASN A 148 31.493 33.760 21.462 1.00 30.21 C ATOM 1144 CG ASN A 148 31.317 34.262 22.871 1.00 36.17 C ATOM 1145 OD1 ASN A 148 31.307 35.472 23.122 1.00 34.67 O ATOM 1146 ND2 ASN A 148 31.124 33.331 23.803 1.00 38.70 N ATOM 0 H ASN A 148 30.921 33.503 18.987 1.00 21.62 H new ATOM 0 HA ASN A 148 29.727 32.722 21.272 1.00 28.17 H new ATOM 0 HB2 ASN A 148 32.042 32.960 21.470 1.00 30.21 H new ATOM 0 HB3 ASN A 148 31.968 34.425 20.939 1.00 30.21 H new ATOM 0 HD21 ASN A 148 30.985 33.562 24.620 1.00 38.70 H new ATOM 0 HD22 ASN A 148 31.138 32.498 23.588 1.00 38.70 H new ATOM 1147 N ALA A 149 28.341 34.707 21.811 1.00 28.91 N ATOM 1148 CA ALA A 149 27.493 35.862 22.085 1.00 25.35 C ATOM 1149 C ALA A 149 27.948 36.504 23.386 1.00 32.04 C ATOM 1150 O ALA A 149 27.896 35.869 24.446 1.00 33.32 O ATOM 1151 CB ALA A 149 26.019 35.463 22.181 1.00 27.19 C ATOM 0 H ALA A 149 28.187 34.036 22.327 1.00 28.91 H new ATOM 0 HA ALA A 149 27.576 36.493 21.353 1.00 25.35 H new ATOM 0 HB1 ALA A 149 25.482 36.250 22.363 1.00 27.19 H new ATOM 0 HB2 ALA A 149 25.736 35.066 21.343 1.00 27.19 H new ATOM 0 HB3 ALA A 149 25.904 34.820 22.898 1.00 27.19 H new ATOM 1152 N GLU A 150 28.392 37.755 23.306 1.00 28.67 N ATOM 1153 CA GLU A 150 28.752 38.526 24.488 1.00 33.70 C ATOM 1154 C GLU A 150 27.631 39.516 24.765 1.00 34.32 C ATOM 1155 O GLU A 150 27.288 40.327 23.899 1.00 29.32 O ATOM 1156 CB GLU A 150 30.087 39.248 24.296 1.00 37.61 C ATOM 1157 CG GLU A 150 30.521 40.060 25.516 1.00 41.17 C ATOM 1158 CD GLU A 150 31.806 40.836 25.293 1.00 47.05 C ATOM 1159 OE1 GLU A 150 31.997 41.377 24.185 1.00 44.17 O ATOM 1160 OE2 GLU A 150 32.623 40.912 26.237 1.00 54.87 O ATOM 0 H GLU A 150 28.492 38.179 22.565 1.00 28.67 H new ATOM 0 HA GLU A 150 28.864 37.931 25.246 1.00 33.70 H new ATOM 0 HB2 GLU A 150 30.774 38.594 24.090 1.00 37.61 H new ATOM 0 HB3 GLU A 150 30.020 39.839 23.530 1.00 37.61 H new ATOM 0 HG2 GLU A 150 29.813 40.679 25.753 1.00 41.17 H new ATOM 0 HG3 GLU A 150 30.639 39.461 26.270 1.00 41.17 H new ATOM 1161 N VAL A 151 27.042 39.434 25.955 1.00 31.05 N ATOM 1162 CA VAL A 151 25.935 40.305 26.337 1.00 35.83 C ATOM 1163 C VAL A 151 26.468 41.321 27.333 1.00 37.96 C ATOM 1164 O VAL A 151 26.993 40.950 28.390 1.00 42.46 O ATOM 1165 CB VAL A 151 24.757 39.514 26.928 1.00 41.29 C ATOM 1166 CG1 VAL A 151 23.654 40.467 27.370 1.00 40.56 C ATOM 1167 CG2 VAL A 151 24.221 38.518 25.905 1.00 37.72 C ATOM 0 H VAL A 151 27.273 38.872 26.563 1.00 31.05 H new ATOM 0 HA VAL A 151 25.588 40.753 25.550 1.00 35.83 H new ATOM 0 HB VAL A 151 25.070 39.021 27.702 1.00 41.29 H new ATOM 0 HG11 VAL A 151 22.916 39.958 27.741 1.00 40.56 H new ATOM 0 HG12 VAL A 151 24.000 41.072 28.044 1.00 40.56 H new ATOM 0 HG13 VAL A 151 23.342 40.978 26.607 1.00 40.56 H new ATOM 0 HG21 VAL A 151 23.479 38.026 26.290 1.00 37.72 H new ATOM 0 HG22 VAL A 151 23.918 38.995 25.117 1.00 37.72 H new ATOM 0 HG23 VAL A 151 24.925 37.899 25.657 1.00 37.72 H new ATOM 1168 N ASN A 152 26.356 42.596 26.986 1.00 39.38 N ATOM 1169 CA ASN A 152 26.793 43.686 27.844 1.00 45.24 C ATOM 1170 C ASN A 152 25.576 44.488 28.266 1.00 49.37 C ATOM 1171 O ASN A 152 24.729 44.820 27.429 1.00 49.06 O ATOM 1172 CB ASN A 152 27.803 44.580 27.126 1.00 45.79 C ATOM 1173 CG ASN A 152 29.032 43.822 26.681 1.00 45.17 C ATOM 1174 OD1 ASN A 152 29.531 42.955 27.397 1.00 47.29 O ATOM 1175 ND2 ASN A 152 29.529 44.142 25.493 1.00 47.75 N ATOM 0 H ASN A 152 26.021 42.855 26.238 1.00 39.38 H new ATOM 0 HA ASN A 152 27.235 43.321 28.627 1.00 45.24 H new ATOM 0 HB2 ASN A 152 27.380 44.986 26.353 1.00 45.79 H new ATOM 0 HB3 ASN A 152 28.068 45.302 27.716 1.00 45.79 H new ATOM 0 HD21 ASN A 152 30.227 43.737 25.196 1.00 47.75 H new ATOM 0 HD22 ASN A 152 29.153 44.754 25.020 1.00 47.75 H new ATOM 1176 N THR A 153 25.484 44.782 29.562 1.00 48.22 N ATOM 1177 CA THR A 153 24.402 45.584 30.117 1.00 51.20 C ATOM 1178 C THR A 153 24.947 46.962 30.472 1.00 53.93 C ATOM 1179 O THR A 153 25.956 47.072 31.177 1.00 57.68 O ATOM 1180 CB THR A 153 23.783 44.909 31.345 1.00 54.45 C ATOM 1181 OG1 THR A 153 24.814 44.532 32.269 1.00 52.60 O ATOM 1182 CG2 THR A 153 23.010 43.667 30.931 1.00 52.04 C ATOM 0 H THR A 153 26.055 44.517 30.148 1.00 48.22 H new ATOM 0 HA THR A 153 23.698 45.672 29.456 1.00 51.20 H new ATOM 0 HB THR A 153 23.178 45.538 31.768 1.00 54.45 H new ATOM 0 HG1 THR A 153 25.397 45.136 32.300 1.00 52.60 H new ATOM 0 HG21 THR A 153 22.624 43.249 31.717 1.00 52.04 H new ATOM 0 HG22 THR A 153 22.302 43.916 30.316 1.00 52.04 H new ATOM 0 HG23 THR A 153 23.611 43.042 30.496 1.00 52.04 H new ATOM 1183 N GLU A 154 24.283 48.004 29.962 1.00 55.38 N ATOM 1184 CA GLU A 154 24.697 49.399 30.065 1.00 57.72 C ATOM 1185 C GLU A 154 23.668 50.193 30.863 1.00 59.40 C ATOM 1186 O GLU A 154 22.622 49.642 31.240 1.00 57.02 O ATOM 1187 CB GLU A 154 24.861 49.995 28.662 1.00 57.59 C ATOM 1188 CG GLU A 154 26.170 50.721 28.431 1.00 59.54 C ATOM 1189 CD GLU A 154 26.545 50.796 26.971 1.00 65.02 C ATOM 1190 OE1 GLU A 154 27.551 50.159 26.589 1.00 64.78 O ATOM 1191 OE2 GLU A 154 25.844 51.489 26.199 1.00 65.63 O ATOM 0 H GLU A 154 23.547 47.908 29.528 1.00 55.38 H new ATOM 0 HA GLU A 154 25.548 49.446 30.527 1.00 57.72 H new ATOM 0 HB2 GLU A 154 24.782 49.282 28.010 1.00 57.59 H new ATOM 0 HB3 GLU A 154 24.130 50.612 28.498 1.00 57.59 H new ATOM 0 HG2 GLU A 154 26.105 51.619 28.791 1.00 59.54 H new ATOM 0 HG3 GLU A 154 26.876 50.270 28.920 1.00 59.54 H new ATOM 1192 N PRO A 155 23.929 51.480 31.172 1.00 61.37 N ATOM 1193 CA PRO A 155 22.829 52.338 31.629 1.00 55.70 C ATOM 1194 C PRO A 155 21.732 52.495 30.580 1.00 57.25 C ATOM 1195 O PRO A 155 21.774 53.453 29.805 1.00 55.78 O ATOM 1196 CB PRO A 155 23.517 53.684 31.894 1.00 54.96 C ATOM 1197 CG PRO A 155 24.893 53.574 31.267 1.00 56.34 C ATOM 1198 CD PRO A 155 25.235 52.128 31.386 1.00 57.31 C ATOM 0 HA PRO A 155 22.380 51.967 32.404 1.00 55.70 H new ATOM 0 HB2 PRO A 155 23.014 54.415 31.503 1.00 54.96 H new ATOM 0 HB3 PRO A 155 23.581 53.861 32.846 1.00 54.96 H new ATOM 0 HG2 PRO A 155 24.884 53.861 30.340 1.00 56.34 H new ATOM 0 HG3 PRO A 155 25.539 54.130 31.730 1.00 56.34 H new ATOM 0 HD2 PRO A 155 25.888 51.854 30.723 1.00 57.31 H new ATOM 0 HD3 PRO A 155 25.607 51.914 32.256 1.00 57.31 H new TER 1199 PRO A 155 HETATM 1200 O HOH A 201 30.659 18.006 7.669 1.00 47.48 O HETATM 1201 O HOH A 202 41.328 7.426 2.104 1.00 45.87 O HETATM 1202 O HOH A 203 41.191 40.180 7.051 1.00 49.14 O HETATM 1203 O HOH A 204 23.929 44.308 12.030 1.00 15.81 O HETATM 1204 O HOH A 205 41.918 7.525 -3.738 1.00 41.48 O HETATM 1205 O HOH A 206 19.622 53.644 29.311 1.00 49.80 O HETATM 1206 O HOH A 207 27.892 50.901 24.474 0.50 57.16 O HETATM 1207 O HOH A 208 28.006 23.878 13.799 1.00 42.12 O HETATM 1208 O HOH A 209 9.804 46.714 30.275 1.00 61.69 O HETATM 1209 O HOH A 210 39.962 7.588 -4.314 1.00 42.39 O HETATM 1210 O HOH A 211 43.275 24.278 -10.173 1.00 21.82 O HETATM 1211 O HOH A 212 44.023 38.409 8.727 1.00 38.30 O HETATM 1212 O HOH A 213 35.657 10.528 0.144 1.00 34.15 O HETATM 1213 O HOH A 214 45.237 24.155 12.327 1.00 35.02 O HETATM 1214 O HOH A 215 17.297 24.595 10.557 1.00 33.91 O HETATM 1215 O HOH A 216 34.794 21.357 -11.611 1.00 29.87 O HETATM 1216 O HOH A 217 49.322 16.748 -15.323 1.00 32.61 O HETATM 1217 O HOH A 218 52.575 5.547 -5.580 1.00 40.44 O HETATM 1218 O HOH A 219 35.887 14.311 -12.445 1.00 33.61 O HETATM 1219 O HOH A 220 52.082 12.386 -16.148 1.00 33.66 O HETATM 1220 O HOH A 221 43.109 35.277 16.776 1.00 32.44 O HETATM 1221 O HOH A 222 48.375 19.208 -15.267 1.00 29.76 O HETATM 1222 O HOH A 223 52.258 26.039 -1.394 1.00 21.03 O HETATM 1223 O HOH A 224 43.355 23.885 -6.886 1.00 29.06 O HETATM 1224 O HOH A 225 32.716 17.912 13.941 1.00 52.48 O HETATM 1225 O HOH A 226 38.175 18.916 13.897 1.00 43.30 O HETATM 1226 O HOH A 227 36.169 22.037 13.412 1.00 38.83 O HETATM 1227 O HOH A 228 42.181 36.469 5.326 1.00 45.37 O HETATM 1228 O HOH A 229 32.837 41.638 10.343 1.00 25.72 O HETATM 1229 O HOH A 230 23.539 45.354 13.807 1.00 25.36 O HETATM 1230 O HOH A 231 40.783 33.003 15.324 1.00 38.06 O HETATM 1231 O HOH A 232 50.613 28.025 1.938 1.00 21.27 O HETATM 1232 O HOH A 233 43.304 22.025 -12.056 1.00 22.21 O HETATM 1233 O HOH A 234 52.327 32.758 9.158 1.00 30.13 O HETATM 1234 O HOH A 235 55.687 7.484 -6.446 1.00 30.94 O HETATM 1235 O HOH A 236 54.729 24.221 4.737 1.00 20.04 O HETATM 1236 O HOH A 237 41.066 34.113 8.461 1.00 29.60 O HETATM 1237 O HOH A 238 33.905 24.273 -2.155 1.00 32.93 O HETATM 1238 O HOH A 239 16.652 33.087 24.705 1.00 37.24 O HETATM 1239 O HOH A 240 38.024 36.218 7.789 1.00 37.32 O HETATM 1240 O HOH A 241 14.732 28.411 17.113 1.00 41.60 O HETATM 1241 O HOH A 242 38.882 10.498 -12.017 1.00 35.32 O HETATM 1242 O HOH A 243 34.735 22.580 15.866 1.00 40.75 O HETATM 1243 O HOH A 244 9.302 49.090 31.366 1.00 51.25 O HETATM 1244 O HOH A 245 57.954 17.032 0.188 1.00 41.35 O HETATM 1245 O HOH A 246 19.164 27.388 9.753 1.00 33.44 O HETATM 1246 O HOH A 247 37.155 11.224 -9.948 1.00 39.32 O HETATM 1247 O HOH A 248 50.763 34.366 13.192 1.00 31.93 O HETATM 1248 O HOH A 249 29.916 34.911 26.065 1.00 52.24 O HETATM 1249 O HOH A 250 35.044 28.684 5.708 1.00 31.07 O HETATM 1250 O HOH A 251 33.943 31.840 19.070 1.00 32.72 O HETATM 1251 O HOH A 252 48.259 22.301 -11.833 1.00 23.56 O HETATM 1252 O HOH A 253 32.972 19.887 -3.481 1.00 29.15 O HETATM 1253 O HOH A 254 28.030 28.670 19.023 1.00 27.19 O HETATM 1254 O HOH A 255 29.090 15.841 0.842 1.00 39.52 O HETATM 1255 O HOH A 256 42.141 26.515 9.282 1.00 26.58 O HETATM 1256 O HOH A 257 21.484 28.946 9.174 1.00 32.23 O HETATM 1257 O HOH A 258 52.299 22.493 -3.771 1.00 19.71 O HETATM 1258 O HOH A 259 21.646 27.673 25.803 1.00 50.78 O HETATM 1259 O HOH A 260 39.171 14.146 8.718 1.00 35.35 O HETATM 1260 O HOH A 261 58.685 22.397 10.723 1.00 44.51 O HETATM 1261 O HOH A 262 29.777 29.859 13.149 1.00 23.38 O HETATM 1262 O HOH A 263 31.592 30.762 22.788 1.00 47.76 O HETATM 1263 O HOH A 264 27.548 37.646 28.052 1.00 40.93 O HETATM 1264 O HOH A 265 25.994 28.044 20.607 1.00 34.44 O HETATM 1265 O HOH A 266 36.312 13.914 -6.326 1.00 27.28 O HETATM 1266 O HOH A 267 14.208 51.562 38.899 1.00 42.41 O HETATM 1267 O HOH A 268 44.580 22.507 9.000 1.00 29.36 O HETATM 1268 O HOH A 269 48.822 25.814 -10.175 1.00 19.51 O HETATM 1269 O HOH A 270 37.274 34.306 19.760 1.00 38.74 O HETATM 1270 O HOH A 271 57.282 14.863 -3.100 1.00 41.63 O HETATM 1271 O HOH A 272 48.049 29.416 5.140 1.00 28.85 O HETATM 1272 O HOH A 273 54.805 7.274 -15.249 1.00 36.22 O HETATM 1273 O HOH A 274 55.444 16.798 -10.938 1.00 32.22 O HETATM 1274 O HOH A 275 31.358 37.912 21.244 1.00 24.07 O HETATM 1275 O HOH A 276 22.079 23.270 15.041 1.00 45.44 O HETATM 1276 O HOH A 277 49.315 34.608 9.805 1.00 33.40 O HETATM 1277 O HOH A 278 24.388 29.546 22.609 1.00 36.58 O HETATM 1278 O HOH A 279 44.805 11.486 -17.440 1.00 41.52 O HETATM 1279 O HOH A 280 43.964 9.078 -2.735 1.00 27.34 O HETATM 1280 O HOH A 281 32.998 40.003 21.906 1.00 33.41 O HETATM 1281 O HOH A 282 39.671 15.694 -13.514 1.00 29.04 O HETATM 1282 O HOH A 283 29.356 30.720 6.883 1.00 30.68 O HETATM 1283 O HOH A 284 60.026 7.873 -8.885 1.00 35.65 O HETATM 1284 O HOH A 285 38.299 28.604 13.015 1.00 25.78 O HETATM 1285 O HOH A 286 50.764 20.435 -15.464 1.00 26.43 O HETATM 1286 O HOH A 287 53.991 23.927 11.730 1.00 20.14 O HETATM 1287 O HOH A 288 33.200 27.698 0.359 1.00 43.04 O HETATM 1288 O HOH A 289 45.514 13.371 8.050 1.00 33.75 O HETATM 1289 O HOH A 290 31.560 21.262 -1.494 1.00 30.34 O HETATM 1290 O HOH A 291 34.335 14.990 -3.030 1.00 37.10 O HETATM 1291 O HOH A 292 25.851 34.588 26.006 1.00 39.15 O HETATM 1292 O HOH A 293 61.661 19.334 9.742 1.00 51.26 O HETATM 1293 O HOH A 294 27.993 30.162 22.005 1.00 40.55 O HETATM 1294 O HOH A 295 47.842 12.224 5.861 1.00 34.11 O HETATM 1295 O HOH A 296 55.710 21.642 -4.291 1.00 24.37 O HETATM 1296 O HOH A 297 49.966 20.778 12.998 1.00 38.12 O HETATM 1297 O HOH A 298 42.289 20.658 8.514 1.00 24.31 O HETATM 1298 O HOH A 299 34.787 29.415 3.084 1.00 42.36 O HETATM 1299 O HOH A 300 23.759 48.049 14.532 1.00 27.97 O HETATM 1300 O HOH A 301 53.244 22.782 0.523 1.00 21.11 O HETATM 1301 O HOH A 302 36.144 24.892 12.938 1.00 34.95 O HETATM 1302 O HOH A 303 27.367 32.390 23.284 1.00 36.78 O HETATM 1303 O HOH A 304 36.860 22.471 -7.574 1.00 28.08 O HETATM 1304 O HOH A 305 52.798 31.118 12.604 1.00 28.31 O HETATM 1305 O HOH A 306 24.599 32.721 8.580 1.00 35.98 O HETATM 1306 O HOH A 307 46.152 33.581 4.675 1.00 33.69 O HETATM 1307 O HOH A 308 35.911 40.954 16.669 1.00 26.34 O HETATM 1308 O HOH A 309 32.060 46.034 18.735 1.00 37.72 O HETATM 1309 O HOH A 310 33.992 26.412 18.023 1.00 33.49 O HETATM 1310 O HOH A 311 28.737 25.287 15.847 1.00 35.63 O HETATM 1311 O HOH A 312 48.305 27.135 -2.473 1.00 25.77 O HETATM 1312 O HOH A 313 48.334 26.770 12.618 1.00 37.15 O HETATM 1313 O HOH A 314 50.916 5.163 -5.091 1.00 41.49 O HETATM 1314 O HOH A 315 28.313 19.631 4.810 1.00 41.23 O HETATM 1315 O HOH A 316 50.280 4.101 -7.058 1.00 37.92 O HETATM 1316 O HOH A 317 45.971 23.978 -8.283 1.00 26.55 O HETATM 1317 O HOH A 318 34.717 34.289 19.526 1.00 31.95 O HETATM 1318 O HOH A 319 46.805 7.230 0.995 1.00 38.31 O HETATM 1319 O HOH A 320 21.926 25.923 6.078 1.00 45.09 O HETATM 1320 O HOH A 321 30.152 43.543 12.115 1.00 30.75 O HETATM 1321 O HOH A 322 47.155 14.742 -17.527 1.00 36.62 O HETATM 1322 O HOH A 323 23.234 36.169 10.179 1.00 38.60 O HETATM 1323 O HOH A 324 25.866 45.117 11.828 1.00 23.23 O HETATM 1324 O HOH A 325 34.508 13.637 -0.924 1.00 33.84 O HETATM 1325 O HOH A 326 45.210 12.141 5.040 1.00 34.16 O HETATM 1326 O HOH A 327 20.808 44.770 14.702 1.00 44.96 O HETATM 1327 O HOH A 328 39.419 24.018 -9.856 1.00 42.39 O HETATM 1328 O HOH A 329 27.174 33.100 8.787 1.00 37.79 O HETATM 1329 O HOH A 330 31.463 10.453 9.367 1.00 53.87 O HETATM 1330 O HOH A 331 42.009 26.207 12.140 1.00 49.44 O HETATM 1331 O HOH A 332 24.890 31.874 23.936 1.00 39.69 O HETATM 1332 O HOH A 333 49.815 12.383 8.283 1.00 48.13 O HETATM 1333 O HOH A 334 45.240 30.391 11.271 1.00 32.62 O HETATM 1334 O HOH A 335 37.888 31.297 7.099 1.00 34.01 O HETATM 1335 O HOH A 336 27.048 42.580 9.987 1.00 35.39 O HETATM 1336 O HOH A 337 44.842 8.326 0.646 1.00 42.00 O HETATM 1337 O HOH A 338 38.735 28.274 17.126 1.00 39.39 O HETATM 1338 O HOH A 339 55.735 12.730 -2.800 1.00 32.37 O HETATM 1339 O HOH A 340 52.830 9.847 -0.525 1.00 34.68 O HETATM 1340 O HOH A 341 24.358 20.892 11.518 1.00 44.85 O HETATM 1341 O HOH A 342 21.000 46.404 16.572 1.00 38.12 O HETATM 1342 O HOH A 343 29.723 21.244 13.770 1.00 41.31 O HETATM 1343 O HOH A 344 52.530 24.147 2.957 1.00 21.33 O HETATM 1344 O HOH A 345 45.844 29.187 15.343 1.00 49.47 O HETATM 1345 O HOH A 346 41.451 24.791 -4.893 1.00 39.64 O HETATM 1346 O HOH A 347 42.308 8.720 3.763 1.00 42.81 O HETATM 1347 O HOH A 348 18.515 52.633 30.514 1.00 56.76 O HETATM 1348 O HOH A 349 37.207 25.824 15.014 1.00 46.61 O HETATM 1349 O HOH A 350 41.840 33.929 18.726 1.00 44.08 O HETATM 1350 O HOH A 351 58.409 13.580 4.958 1.00 52.57 O HETATM 1351 O HOH A 352 61.550 6.126 -7.564 1.00 36.71 O HETATM 1352 O HOH A 353 56.694 6.924 -3.869 1.00 31.01 O HETATM 1353 O HOH A 354 34.011 41.830 20.862 1.00 35.60 O HETATM 1354 O HOH A 355 48.240 28.118 0.438 1.00 32.98 O HETATM 1355 O HOH A 356 45.852 28.488 13.000 1.00 40.45 O HETATM 1356 O HOH A 357 23.272 52.326 34.988 1.00 41.88 O HETATM 1357 O HOH A 358 46.044 23.192 -10.983 1.00 22.58 O HETATM 1358 O HOH A 359 39.136 33.204 6.649 1.00 46.66 O HETATM 1359 O HOH A 360 55.391 22.936 -0.759 1.00 37.96 O HETATM 1360 O HOH A 361 29.989 27.097 19.937 1.00 37.77 O HETATM 1361 O HOH A 362 26.576 35.562 9.123 1.00 51.09 O HETATM 1362 O HOH A 363 50.082 34.308 5.619 1.00 41.13 O HETATM 1363 O HOH A 364 58.215 20.829 -3.850 1.00 33.44 O HETATM 1364 O HOH A 365 47.346 12.337 -18.424 1.00 52.25 O HETATM 1365 O HOH A 366 27.016 40.831 7.408 1.00 51.52 O HETATM 1366 O HOH A 367 33.323 43.567 18.399 1.00 35.43 O HETATM 1367 O HOH A 368 43.381 26.646 -7.672 1.00 38.89 O HETATM 1368 O HOH A 369 56.374 10.002 -2.033 1.00 39.99 O HETATM 1369 O HOH A 370 46.783 30.008 1.635 1.00 39.48 O HETATM 1370 O HOH A 371 46.701 28.891 -3.766 1.00 33.64 O HETATM 1371 O HOH A 372 44.838 9.878 -18.679 1.00 54.55 O HETATM 1372 O HOH A 373 47.607 31.463 3.583 1.00 40.64 O HETATM 1373 O HOH A 374 12.400 50.212 37.901 1.00 51.11 O HETATM 1374 O HOH A 375 36.677 40.675 19.516 1.00 31.00 O HETATM 1375 O HOH A 376 39.684 35.622 4.061 1.00 51.83 O HETATM 1376 O HOH A 377 39.397 39.397 20.091 0.50 39.63 O END