USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 28-MAR-11 3RAZ TITLE THE CRYSTAL STRUCTURE OF THIOREDOXIN-RELATED PROTEIN FROM NEISSERIA TITLE 2 MENINGITIDIS SEROGROUP B COMPND MOL_ID: 1; COMPND 2 MOLECULE: THIOREDOXIN-RELATED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; SOURCE 3 ORGANISM_TAXID: 491; SOURCE 4 GENE: NMB0006; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-CODON+RIL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: BC - PSGX3 (BC) KEYWDS STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE INITIATIVE, NEW YORK KEYWDS 2 SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS, NYSGXRC, THIOREDOXIN- KEYWDS 3 RELATED PROTEIN, REDOXIN, SGX, OXIDOREDUCTASE EXPDTA X-RAY DIFFRACTION AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (NYSGXRC) REVDAT 1 11-MAY-11 3RAZ 0 JRNL AUTH Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN JRNL TITL THE CRYSTAL STRUCTURE OF THIOREDOXIN-RELATED PROTEIN FROM JRNL TITL 2 NEISSERIA MENINGITIDIS SEROGROUP B JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.51 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 2.190 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 3 NUMBER OF REFLECTIONS : 9567 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.234 REMARK 3 R VALUE (WORKING SET) : 0.231 REMARK 3 FREE R VALUE : 0.275 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.820 REMARK 3 FREE R VALUE TEST SET COUNT : 461 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 43.5229 - 2.8844 0.99 3078 160 0.2126 0.2404 REMARK 3 2 2.8844 - 2.2895 0.99 3033 167 0.2603 0.3341 REMARK 3 3 2.2895 - 2.0001 0.97 2995 134 0.2671 0.3564 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : 0.35 REMARK 3 B_SOL : 40.22 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.350 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 32.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.84 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.87880 REMARK 3 B22 (A**2) : 12.28270 REMARK 3 B33 (A**2) : -10.40380 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.66520 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.009 1082 REMARK 3 ANGLE : 1.188 1467 REMARK 3 CHIRALITY : 0.070 161 REMARK 3 PLANARITY : 0.008 184 REMARK 3 DIHEDRAL : 16.460 393 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 3RAZ COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-APR-11. REMARK 100 THE RCSB ID CODE IS RCSB064707. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-MAR-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X29A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9567 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 43.510 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 7.200 REMARK 200 R MERGE (I) : 0.03900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 26.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.11 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.2 REMARK 200 DATA REDUNDANCY IN SHELL : 6.80 REMARK 200 R MERGE FOR SHELL (I) : 0.17100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 7.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.97 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.12 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M TRIS-HCL PH 8.5, 30% PEG 4K, 2.4 REMARK 280 M LITHIUM SULFATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 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 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 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 1.000000 0.000000 0.000000 24.22150 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.51650 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 24.22150 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 34.51650 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 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 MSE A 18 REMARK 465 SER A 19 REMARK 465 LEU A 20 REMARK 465 SER A 21 REMARK 465 ALA A 22 REMARK 465 ASP A 23 REMARK 465 CYS A 159 REMARK 465 ARG A 160 REMARK 465 GLU A 161 REMARK 465 GLY A 162 REMARK 465 HIS A 163 REMARK 465 HIS A 164 REMARK 465 HIS A 165 REMARK 465 HIS A 166 REMARK 465 HIS A 167 REMARK 465 HIS A 168 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: NYSGXRC-11210D RELATED DB: TARGETDB DBREF 3RAZ A 21 160 UNP Q9K1R4 Q9K1R4_NEIMB 21 160 SEQADV 3RAZ MSE A 18 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ SER A 19 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ LEU A 20 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ GLU A 161 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ GLY A 162 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ HIS A 163 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ HIS A 164 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ HIS A 165 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ HIS A 166 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ HIS A 167 UNP Q9K1R4 EXPRESSION TAG SEQADV 3RAZ HIS A 168 UNP Q9K1R4 EXPRESSION TAG SEQRES 1 A 151 MSE SER LEU SER ALA ASP GLU LEU ALA GLY TRP LYS ASP SEQRES 2 A 151 ASN THR PRO GLN SER LEU GLN SER LEU LYS ALA PRO VAL SEQRES 3 A 151 ARG ILE VAL ASN LEU TRP ALA THR TRP CYS GLY PRO CYS SEQRES 4 A 151 ARG LYS GLU MSE PRO ALA MSE SER LYS TRP TYR LYS ALA SEQRES 5 A 151 GLN LYS LYS GLY SER VAL ASP MSE VAL GLY ILE ALA LEU SEQRES 6 A 151 ASP THR SER ASP ASN ILE GLY ASN PHE LEU LYS GLN THR SEQRES 7 A 151 PRO VAL SER TYR PRO ILE TRP ARG TYR THR GLY ALA ASN SEQRES 8 A 151 SER ARG ASN PHE MSE LYS THR TYR GLY ASN THR VAL GLY SEQRES 9 A 151 VAL LEU PRO PHE THR VAL VAL GLU ALA PRO LYS CYS GLY SEQRES 10 A 151 TYR ARG GLN THR ILE THR GLY GLU VAL ASN GLU LYS SER SEQRES 11 A 151 LEU THR ASP ALA VAL LYS LEU ALA HIS SER LYS CYS ARG SEQRES 12 A 151 GLU GLY HIS HIS HIS HIS HIS HIS MODRES 3RAZ MSE A 60 MET SELENOMETHIONINE MODRES 3RAZ MSE A 63 MET SELENOMETHIONINE MODRES 3RAZ MSE A 77 MET SELENOMETHIONINE MODRES 3RAZ MSE A 113 MET SELENOMETHIONINE HET MSE A 60 8 HET MSE A 63 8 HET MSE A 77 8 HET MSE A 113 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 4(C5 H11 N O2 SE) FORMUL 2 HOH *33(H2 O) HELIX 1 1 SER A 35 LEU A 39 5 5 HELIX 2 2 CYS A 53 ALA A 69 1 17 HELIX 3 3 THR A 84 THR A 95 1 12 HELIX 4 4 ASN A 108 THR A 115 1 8 HELIX 5 5 ASN A 144 SER A 157 1 14 SHEET 1 A 7 PRO A 33 GLN A 34 0 SHEET 2 A 7 LEU A 25 GLY A 27 -1 N LEU A 25 O GLN A 34 SHEET 3 A 7 ILE A 101 TYR A 104 -1 O ARG A 103 N ALA A 26 SHEET 4 A 7 VAL A 75 ALA A 81 1 N ALA A 81 O TRP A 102 SHEET 5 A 7 VAL A 43 TRP A 49 1 N ASN A 47 O ILE A 80 SHEET 6 A 7 PHE A 125 ALA A 130 -1 O PHE A 125 N LEU A 48 SHEET 7 A 7 TYR A 135 THR A 138 -1 O GLN A 137 N VAL A 128 SSBOND *** CYS A 53 CYS A 56 1555 1555 2.06 LINK C GLU A 59 N MSE A 60 1555 1555 1.33 LINK C MSE A 60 N PRO A 61 1555 1555 1.34 LINK C ALA A 62 N MSE A 63 1555 1555 1.33 LINK C MSE A 63 N SER A 64 1555 1555 1.33 LINK C ASP A 76 N MSE A 77 1555 1555 1.33 LINK C MSE A 77 N VAL A 78 1555 1555 1.33 LINK C PHE A 112 N MSE A 113 1555 1555 1.33 LINK C MSE A 113 N LYS A 114 1555 1555 1.33 CISPEP 1 LEU A 123 PRO A 124 0 4.58 CRYST1 48.443 69.033 45.032 90.00 104.93 90.00 C 1 2 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.020643 0.000000 0.005503 0.00000 SCALE2 0.000000 0.014486 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022982 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 135 TYR OH : rot 142:sc= 1.9 USER MOD Set 1.2: A 137 GLN :FLIP amide:sc= 0.624 F(o=-1.2!,f=2.5) USER MOD Set 2.1: A 47 ASN :FLIP amide:sc= 1.16 F(o=1.9!,f=3) USER MOD Set 2.2: A 126 THR OG1 : rot 72:sc= 1.81 USER MOD Set 3.1: A 108 ASN :FLIP amide:sc= -3.92! C(o=-7.9!,f=-6!) USER MOD Set 3.2: A 111 ASN :FLIP amide:sc= -2.12 X(o=-6.2,f=-6) USER MOD Set 4.1: A 64 SER OG : rot -20:sc= 0.345 USER MOD Set 4.2: A 98 SER OG : rot -142:sc= 0.526 USER MOD Set 5.1: A 35 SER OG : rot -161:sc= -1.44! USER MOD Set 5.2: A 37 GLN :FLIP amide:sc= 0.00492 F(o=-4.9!,f=-1.4) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.401 F(o=-2.7!,f=-0.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 34 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.3!) USER MOD Single : A 38 SER OG : rot -67:sc= 1.35 USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0.117 (180deg=0.102) USER MOD Single : A 51 THR OG1 : rot -76:sc= 1.33 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 1.65 X(o=1.6,f=1.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -72:sc= 1.75 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.62 USER MOD Single : A 85 SER OG : rot 76:sc= 1.34 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0795 F(o=-1.8!,f=-0.079) USER MOD Single : A 90 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -170:sc= 0.819 USER MOD Single : A 104 TYR OH : rot 30:sc= -0.0134 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.892 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -55:sc= 1.3 USER MOD Single : A 116 TYR OH : rot 151:sc= -0.152 USER MOD Single : A 118 ASN : amide:sc= 0.596 K(o=0.6,f=-4.1!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot 3:sc= 1.03 USER MOD Single : A 138 THR OG1 : rot -102:sc= 0.0129 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= 0.159 K(o=0.16,f=-5.4!) USER MOD Single : A 146 LYS NZ :NH3+ -154:sc= 0.378 (180deg=-0.216) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 84:sc= 0.315 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.4) USER MOD Single : A 157 SER OG : rot -56:sc= 1.21 USER MOD Single : A 158 LYS NZ :NH3+ -146:sc= -1.43 (180deg=-1.72) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 24 4.112 31.665 18.415 1.00 39.58 N ATOM 2 CA GLU A 24 4.194 31.287 17.002 1.00 40.65 C ATOM 3 C GLU A 24 5.031 32.271 16.176 1.00 40.14 C ATOM 4 O GLU A 24 4.637 32.701 15.081 1.00 40.34 O ATOM 5 CB GLU A 24 2.798 31.128 16.393 1.00 43.40 C ATOM 6 CG GLU A 24 1.985 29.987 16.995 1.00 46.23 C ATOM 7 CD GLU A 24 0.695 29.703 16.229 1.00 52.90 C ATOM 8 OE1 GLU A 24 0.155 30.635 15.593 1.00 53.58 O ATOM 9 OE2 GLU A 24 0.215 28.545 16.264 1.00 54.21 O ATOM 0 HA GLU A 24 4.648 30.430 16.972 1.00 40.65 H new ATOM 0 HB2 GLU A 24 2.309 31.957 16.508 1.00 43.40 H new ATOM 0 HB3 GLU A 24 2.887 30.981 15.438 1.00 43.40 H new ATOM 0 HG2 GLU A 24 2.528 29.184 17.012 1.00 46.23 H new ATOM 0 HG3 GLU A 24 1.768 30.202 17.916 1.00 46.23 H new ATOM 10 N LEU A 25 6.196 32.600 16.713 1.00 38.61 N ATOM 11 CA LEU A 25 7.126 33.536 16.106 1.00 35.94 C ATOM 12 C LEU A 25 8.526 32.990 16.272 1.00 37.49 C ATOM 13 O LEU A 25 8.849 32.406 17.313 1.00 36.39 O ATOM 14 CB LEU A 25 7.061 34.887 16.819 1.00 34.47 C ATOM 15 CG LEU A 25 5.704 35.575 16.802 1.00 36.30 C ATOM 16 CD1 LEU A 25 5.687 36.767 17.751 1.00 33.57 C ATOM 17 CD2 LEU A 25 5.383 35.994 15.372 1.00 32.54 C ATOM 0 H LEU A 25 6.474 32.277 17.460 1.00 38.61 H new ATOM 0 HA LEU A 25 6.897 33.651 15.170 1.00 35.94 H new ATOM 0 HB2 LEU A 25 7.330 34.761 17.742 1.00 34.47 H new ATOM 0 HB3 LEU A 25 7.712 35.481 16.413 1.00 34.47 H new ATOM 0 HG LEU A 25 5.022 34.959 17.112 1.00 36.30 H new ATOM 0 HD11 LEU A 25 4.814 37.190 17.724 1.00 33.57 H new ATOM 0 HD12 LEU A 25 5.872 36.465 18.654 1.00 33.57 H new ATOM 0 HD13 LEU A 25 6.364 37.407 17.480 1.00 33.57 H new ATOM 0 HD21 LEU A 25 4.519 36.434 15.350 1.00 32.54 H new ATOM 0 HD22 LEU A 25 6.065 36.605 15.053 1.00 32.54 H new ATOM 0 HD23 LEU A 25 5.360 35.209 14.802 1.00 32.54 H new ATOM 18 N ALA A 26 9.361 33.204 15.262 1.00 35.50 N ATOM 19 CA ALA A 26 10.750 32.767 15.296 1.00 37.49 C ATOM 20 C ALA A 26 11.605 33.773 14.552 1.00 36.78 C ATOM 21 O ALA A 26 11.081 34.571 13.776 1.00 34.46 O ATOM 22 CB ALA A 26 10.881 31.401 14.653 1.00 39.75 C ATOM 0 H ALA A 26 9.137 33.608 14.536 1.00 35.50 H new ATOM 0 HA ALA A 26 11.047 32.706 16.217 1.00 37.49 H new ATOM 0 HB1 ALA A 26 11.808 31.118 14.680 1.00 39.75 H new ATOM 0 HB2 ALA A 26 10.334 30.762 15.136 1.00 39.75 H new ATOM 0 HB3 ALA A 26 10.584 31.448 13.731 1.00 39.75 H new ATOM 23 N GLY A 27 12.918 33.735 14.778 1.00 36.32 N ATOM 24 CA GLY A 27 13.833 34.537 13.986 1.00 36.60 C ATOM 25 C GLY A 27 13.676 34.122 12.531 1.00 40.95 C ATOM 26 O GLY A 27 13.422 32.954 12.241 1.00 41.90 O ATOM 0 H GLY A 27 13.293 33.252 15.383 1.00 36.32 H new ATOM 0 HA2 GLY A 27 13.637 35.481 14.093 1.00 36.60 H new ATOM 0 HA3 GLY A 27 14.747 34.401 14.281 1.00 36.60 H new ATOM 27 N TRP A 28 13.818 35.060 11.605 1.00 38.22 N ATOM 28 CA TRP A 28 13.518 34.740 10.213 1.00 42.32 C ATOM 29 C TRP A 28 14.543 33.752 9.676 1.00 43.88 C ATOM 30 O TRP A 28 14.203 32.857 8.912 1.00 42.57 O ATOM 31 CB TRP A 28 13.446 36.002 9.352 1.00 38.51 C ATOM 32 CG TRP A 28 14.759 36.716 9.202 1.00 39.85 C ATOM 33 CD1 TRP A 28 15.270 37.689 10.017 1.00 41.56 C ATOM 34 CD2 TRP A 28 15.724 36.511 8.168 1.00 40.98 C ATOM 35 NE1 TRP A 28 16.499 38.096 9.552 1.00 43.86 N ATOM 36 CE2 TRP A 28 16.796 37.392 8.414 1.00 42.31 C ATOM 37 CE3 TRP A 28 15.785 35.668 7.053 1.00 41.82 C ATOM 38 CZ2 TRP A 28 17.916 37.451 7.586 1.00 45.43 C ATOM 39 CZ3 TRP A 28 16.898 35.727 6.234 1.00 41.15 C ATOM 40 CH2 TRP A 28 17.947 36.610 6.504 1.00 43.15 C ATOM 0 H TRP A 28 14.079 35.866 11.752 1.00 38.22 H new ATOM 0 HA TRP A 28 12.642 34.324 10.173 1.00 42.32 H new ATOM 0 HB2 TRP A 28 13.116 35.763 8.472 1.00 38.51 H new ATOM 0 HB3 TRP A 28 12.800 36.612 9.742 1.00 38.51 H new ATOM 0 HD1 TRP A 28 14.848 38.026 10.774 1.00 41.56 H new ATOM 0 HE1 TRP A 28 16.999 38.694 9.916 1.00 43.86 H new ATOM 0 HE3 TRP A 28 15.090 35.079 6.866 1.00 41.82 H new ATOM 0 HZ2 TRP A 28 18.615 38.038 7.761 1.00 45.43 H new ATOM 0 HZ3 TRP A 28 16.949 35.170 5.491 1.00 41.15 H new ATOM 0 HH2 TRP A 28 18.683 36.627 5.936 1.00 43.15 H new ATOM 41 N LYS A 29 15.788 33.907 10.119 1.00 44.11 N ATOM 42 CA LYS A 29 16.885 33.048 9.693 1.00 46.02 C ATOM 43 C LYS A 29 16.991 31.774 10.511 1.00 47.65 C ATOM 44 O LYS A 29 16.973 30.661 9.976 1.00 48.93 O ATOM 45 CB LYS A 29 18.209 33.791 9.829 1.00 46.38 C ATOM 46 CG LYS A 29 19.410 32.937 9.463 1.00 53.31 C ATOM 47 CD LYS A 29 20.710 33.700 9.652 1.00 54.32 C ATOM 48 CE LYS A 29 20.571 35.155 9.223 1.00 53.96 C ATOM 49 NZ LYS A 29 21.751 35.967 9.638 1.00 60.57 N ATOM 0 H LYS A 29 16.020 34.518 10.678 1.00 44.11 H new ATOM 0 HA LYS A 29 16.699 32.810 8.771 1.00 46.02 H new ATOM 0 HB2 LYS A 29 18.193 34.577 9.261 1.00 46.38 H new ATOM 0 HB3 LYS A 29 18.307 34.103 10.742 1.00 46.38 H new ATOM 0 HG2 LYS A 29 19.420 32.137 10.012 1.00 53.31 H new ATOM 0 HG3 LYS A 29 19.334 32.647 8.540 1.00 53.31 H new ATOM 0 HD2 LYS A 29 20.977 33.660 10.584 1.00 54.32 H new ATOM 0 HD3 LYS A 29 21.414 33.275 9.137 1.00 54.32 H new ATOM 0 HE2 LYS A 29 20.469 35.200 8.259 1.00 53.96 H new ATOM 0 HE3 LYS A 29 19.766 35.532 9.611 1.00 53.96 H new ATOM 0 HZ1 LYS A 29 21.640 36.809 9.374 1.00 60.57 H new ATOM 0 HZ2 LYS A 29 21.832 35.943 10.524 1.00 60.57 H new ATOM 0 HZ3 LYS A 29 22.487 35.634 9.264 1.00 60.57 H new ATOM 50 N ASP A 30 17.116 31.956 11.819 1.00 49.07 N ATOM 51 CA ASP A 30 17.471 30.871 12.724 1.00 48.25 C ATOM 52 C ASP A 30 16.317 29.918 13.078 1.00 47.20 C ATOM 53 O ASP A 30 16.556 28.781 13.473 1.00 49.28 O ATOM 54 CB ASP A 30 18.162 31.430 13.991 1.00 49.99 C ATOM 55 CG ASP A 30 17.509 32.719 14.517 1.00 48.94 C ATOM 56 OD1 ASP A 30 16.311 32.935 14.254 1.00 47.78 O ATOM 57 OD2 ASP A 30 18.187 33.512 15.211 1.00 48.12 O ATOM 0 H ASP A 30 16.997 32.714 12.208 1.00 49.07 H new ATOM 0 HA ASP A 30 18.097 30.315 12.235 1.00 48.25 H new ATOM 0 HB2 ASP A 30 18.141 30.756 14.688 1.00 49.99 H new ATOM 0 HB3 ASP A 30 19.095 31.604 13.793 1.00 49.99 H new ATOM 58 N ASN A 31 15.078 30.362 12.895 1.00 43.77 N ATOM 59 CA ASN A 31 13.909 29.649 13.418 1.00 44.02 C ATOM 60 C ASN A 31 13.933 29.623 14.942 1.00 42.72 C ATOM 61 O ASN A 31 13.262 28.808 15.567 1.00 42.06 O ATOM 62 CB ASN A 31 13.794 28.223 12.862 1.00 43.01 C ATOM 63 CG ASN A 31 12.345 27.813 12.593 1.00 47.78 C ATOM 64 OD1 ASN A 31 11.468 28.799 12.489 1.00 50.52 O flip ATOM 65 ND2 ASN A 31 12.024 26.628 12.467 1.00 45.83 N flip ATOM 0 H ASN A 31 14.888 31.083 12.466 1.00 43.77 H new ATOM 0 HA ASN A 31 13.125 30.137 13.120 1.00 44.02 H new ATOM 0 HB2 ASN A 31 14.303 28.158 12.039 1.00 43.01 H new ATOM 0 HB3 ASN A 31 14.191 27.601 13.491 1.00 43.01 H new ATOM 0 HD21 ASN A 31 12.619 26.011 12.540 1.00 45.83 H new ATOM 0 HD22 ASN A 31 11.206 26.419 12.306 1.00 45.83 H new ATOM 66 N THR A 32 14.721 30.525 15.521 1.00 43.10 N ATOM 67 CA THR A 32 14.817 30.706 16.969 1.00 41.84 C ATOM 68 C THR A 32 13.514 31.199 17.590 1.00 41.61 C ATOM 69 O THR A 32 13.062 32.302 17.297 1.00 40.81 O ATOM 70 CB THR A 32 15.877 31.741 17.295 1.00 42.01 C ATOM 71 OG1 THR A 32 17.159 31.211 16.960 1.00 48.08 O ATOM 72 CG2 THR A 32 15.848 32.090 18.774 1.00 43.65 C ATOM 0 H THR A 32 15.225 31.060 15.075 1.00 43.10 H new ATOM 0 HA THR A 32 15.036 29.834 17.333 1.00 41.84 H new ATOM 0 HB THR A 32 15.701 32.546 16.784 1.00 42.01 H new ATOM 0 HG1 THR A 32 17.752 31.779 17.136 1.00 48.08 H new ATOM 0 HG21 THR A 32 16.531 32.752 18.964 1.00 43.65 H new ATOM 0 HG22 THR A 32 14.977 32.449 19.005 1.00 43.65 H new ATOM 0 HG23 THR A 32 16.017 31.292 19.298 1.00 43.65 H new ATOM 73 N PRO A 33 12.925 30.404 18.491 1.00 41.77 N ATOM 74 CA PRO A 33 11.633 30.830 19.035 1.00 39.19 C ATOM 75 C PRO A 33 11.725 32.252 19.583 1.00 38.14 C ATOM 76 O PRO A 33 12.752 32.627 20.153 1.00 39.81 O ATOM 77 CB PRO A 33 11.369 29.817 20.154 1.00 40.45 C ATOM 78 CG PRO A 33 12.179 28.612 19.772 1.00 39.33 C ATOM 79 CD PRO A 33 13.412 29.159 19.108 1.00 38.92 C ATOM 0 HA PRO A 33 10.924 30.849 18.374 1.00 39.19 H new ATOM 0 HB2 PRO A 33 11.641 30.166 21.017 1.00 40.45 H new ATOM 0 HB3 PRO A 33 10.425 29.602 20.220 1.00 40.45 H new ATOM 0 HG2 PRO A 33 12.407 28.082 20.552 1.00 39.33 H new ATOM 0 HG3 PRO A 33 11.684 28.034 19.170 1.00 39.33 H new ATOM 0 HD2 PRO A 33 14.121 29.328 19.748 1.00 38.92 H new ATOM 0 HD3 PRO A 33 13.767 28.545 18.447 1.00 38.92 H new ATOM 80 N GLN A 34 10.676 33.042 19.373 1.00 34.90 N ATOM 81 CA GLN A 34 10.629 34.417 19.866 1.00 35.65 C ATOM 82 C GLN A 34 9.245 34.711 20.424 1.00 35.36 C ATOM 83 O GLN A 34 8.289 33.990 20.150 1.00 35.54 O ATOM 84 CB GLN A 34 10.929 35.413 18.744 1.00 36.08 C ATOM 85 CG GLN A 34 12.217 35.152 17.970 1.00 36.44 C ATOM 86 CD GLN A 34 13.440 35.588 18.737 1.00 37.87 C ATOM 87 OE1 GLN A 34 13.368 36.479 19.584 1.00 35.48 O ATOM 88 NE2 GLN A 34 14.583 34.982 18.426 1.00 42.00 N ATOM 0 H GLN A 34 9.973 32.798 18.942 1.00 34.90 H new ATOM 0 HA GLN A 34 11.301 34.512 20.559 1.00 35.65 H new ATOM 0 HB2 GLN A 34 10.187 35.408 18.120 1.00 36.08 H new ATOM 0 HB3 GLN A 34 10.973 36.304 19.125 1.00 36.08 H new ATOM 0 HG2 GLN A 34 12.285 34.206 17.767 1.00 36.44 H new ATOM 0 HG3 GLN A 34 12.184 35.622 17.122 1.00 36.44 H new ATOM 0 HE21 GLN A 34 14.593 34.364 17.828 1.00 42.00 H new ATOM 0 HE22 GLN A 34 15.312 35.209 18.823 1.00 42.00 H new ATOM 89 N SER A 35 9.125 35.780 21.195 1.00 36.07 N ATOM 90 CA SER A 35 7.803 36.179 21.652 1.00 38.65 C ATOM 91 C SER A 35 7.738 37.616 22.140 1.00 36.05 C ATOM 92 O SER A 35 8.707 38.172 22.640 1.00 35.47 O ATOM 93 CB SER A 35 7.271 35.206 22.715 1.00 40.50 C ATOM 94 OG SER A 35 7.493 35.688 24.021 1.00 40.54 O ATOM 0 H SER A 35 9.775 36.277 21.460 1.00 36.07 H new ATOM 0 HA SER A 35 7.225 36.136 20.874 1.00 38.65 H new ATOM 0 HB2 SER A 35 6.321 35.065 22.579 1.00 40.50 H new ATOM 0 HB3 SER A 35 7.703 34.344 22.610 1.00 40.50 H new ATOM 0 HG SER A 35 7.438 35.052 24.568 1.00 40.54 H new ATOM 95 N LEU A 36 6.566 38.208 21.974 1.00 37.31 N ATOM 96 CA LEU A 36 6.318 39.571 22.402 1.00 37.34 C ATOM 97 C LEU A 36 6.729 39.759 23.848 1.00 40.24 C ATOM 98 O LEU A 36 7.057 40.860 24.273 1.00 40.36 O ATOM 99 CB LEU A 36 4.837 39.872 22.258 1.00 40.59 C ATOM 100 CG LEU A 36 4.325 39.786 20.827 1.00 36.98 C ATOM 101 CD1 LEU A 36 2.883 40.263 20.784 1.00 40.74 C ATOM 102 CD2 LEU A 36 5.201 40.628 19.927 1.00 35.63 C ATOM 0 H LEU A 36 5.888 37.827 21.607 1.00 37.31 H new ATOM 0 HA LEU A 36 6.839 40.175 21.850 1.00 37.34 H new ATOM 0 HB2 LEU A 36 4.335 39.252 22.809 1.00 40.59 H new ATOM 0 HB3 LEU A 36 4.662 40.762 22.602 1.00 40.59 H new ATOM 0 HG LEU A 36 4.358 38.869 20.514 1.00 36.98 H new ATOM 0 HD11 LEU A 36 2.552 40.210 19.874 1.00 40.74 H new ATOM 0 HD12 LEU A 36 2.339 39.702 21.359 1.00 40.74 H new ATOM 0 HD13 LEU A 36 2.837 41.182 21.092 1.00 40.74 H new ATOM 0 HD21 LEU A 36 4.875 40.574 19.015 1.00 35.63 H new ATOM 0 HD22 LEU A 36 5.177 41.551 20.224 1.00 35.63 H new ATOM 0 HD23 LEU A 36 6.113 40.300 19.964 1.00 35.63 H new ATOM 103 N GLN A 37 6.702 38.663 24.597 1.00 41.63 N ATOM 104 CA GLN A 37 7.023 38.670 26.017 1.00 41.48 C ATOM 105 C GLN A 37 8.468 39.098 26.280 1.00 40.26 C ATOM 106 O GLN A 37 8.810 39.483 27.390 1.00 42.08 O ATOM 107 CB GLN A 37 6.749 37.286 26.623 1.00 42.31 C ATOM 108 CG GLN A 37 5.338 37.097 27.186 1.00 45.79 C ATOM 109 CD GLN A 37 4.247 36.936 26.119 1.00 50.36 C ATOM 110 OE1 GLN A 37 4.650 36.748 24.868 1.00 54.49 O flip ATOM 111 NE2 GLN A 37 3.054 36.973 26.433 1.00 46.03 N flip ATOM 0 H GLN A 37 6.495 37.886 24.291 1.00 41.63 H new ATOM 0 HA GLN A 37 6.451 39.326 26.445 1.00 41.48 H new ATOM 0 HB2 GLN A 37 6.904 36.613 25.942 1.00 42.31 H new ATOM 0 HB3 GLN A 37 7.391 37.125 27.333 1.00 42.31 H new ATOM 0 HG2 GLN A 37 5.332 36.315 27.759 1.00 45.79 H new ATOM 0 HG3 GLN A 37 5.119 37.860 27.744 1.00 45.79 H new ATOM 0 HE21 GLN A 37 2.829 37.097 27.254 1.00 46.03 H new ATOM 0 HE22 GLN A 37 2.448 36.875 25.831 1.00 46.03 H new ATOM 112 N SER A 38 9.305 39.043 25.249 1.00 39.16 N ATOM 113 CA SER A 38 10.705 39.447 25.364 1.00 37.76 C ATOM 114 C SER A 38 10.869 40.950 25.213 1.00 38.19 C ATOM 115 O SER A 38 11.961 41.481 25.403 1.00 36.38 O ATOM 116 CB SER A 38 11.548 38.756 24.298 1.00 40.32 C ATOM 117 OG SER A 38 11.127 39.143 22.992 1.00 38.46 O ATOM 0 H SER A 38 9.080 38.771 24.465 1.00 39.16 H new ATOM 0 HA SER A 38 11.004 39.185 26.249 1.00 37.76 H new ATOM 0 HB2 SER A 38 12.483 38.983 24.422 1.00 40.32 H new ATOM 0 HB3 SER A 38 11.474 37.794 24.395 1.00 40.32 H new ATOM 0 HG SER A 38 10.355 38.847 22.847 1.00 38.46 H new ATOM 118 N LEU A 39 9.796 41.644 24.850 1.00 36.24 N ATOM 119 CA LEU A 39 9.918 43.078 24.620 1.00 36.94 C ATOM 120 C LEU A 39 9.499 43.855 25.864 1.00 36.61 C ATOM 121 O LEU A 39 8.374 43.698 26.359 1.00 37.38 O ATOM 122 CB LEU A 39 9.112 43.496 23.398 1.00 33.80 C ATOM 123 CG LEU A 39 9.298 42.553 22.211 1.00 35.90 C ATOM 124 CD1 LEU A 39 8.187 42.773 21.182 1.00 37.71 C ATOM 125 CD2 LEU A 39 10.688 42.696 21.570 1.00 32.52 C ATOM 0 H LEU A 39 9.010 41.316 24.734 1.00 36.24 H new ATOM 0 HA LEU A 39 10.848 43.287 24.441 1.00 36.94 H new ATOM 0 HB2 LEU A 39 8.172 43.531 23.633 1.00 33.80 H new ATOM 0 HB3 LEU A 39 9.372 44.393 23.136 1.00 33.80 H new ATOM 0 HG LEU A 39 9.238 41.644 22.543 1.00 35.90 H new ATOM 0 HD11 LEU A 39 8.315 42.170 20.433 1.00 37.71 H new ATOM 0 HD12 LEU A 39 7.326 42.599 21.593 1.00 37.71 H new ATOM 0 HD13 LEU A 39 8.215 43.690 20.866 1.00 37.71 H new ATOM 0 HD21 LEU A 39 10.765 42.082 20.823 1.00 32.52 H new ATOM 0 HD22 LEU A 39 10.807 43.605 21.254 1.00 32.52 H new ATOM 0 HD23 LEU A 39 11.371 42.491 22.228 1.00 32.52 H new ATOM 126 N LYS A 40 10.407 44.712 26.328 1.00 34.39 N ATOM 127 CA LYS A 40 10.357 45.291 27.668 1.00 36.54 C ATOM 128 C LYS A 40 10.054 46.785 27.725 1.00 33.38 C ATOM 129 O LYS A 40 9.602 47.294 28.761 1.00 29.84 O ATOM 130 CB LYS A 40 11.697 45.043 28.363 1.00 36.00 C ATOM 131 CG LYS A 40 12.032 43.582 28.532 1.00 40.33 C ATOM 132 CD LYS A 40 10.989 42.907 29.403 1.00 38.83 C ATOM 133 CE LYS A 40 11.454 41.523 29.844 1.00 42.23 C ATOM 134 NZ LYS A 40 11.418 40.557 28.713 1.00 44.88 N ATOM 0 H LYS A 40 11.081 44.977 25.864 1.00 34.39 H new ATOM 0 HA LYS A 40 9.615 44.852 28.112 1.00 36.54 H new ATOM 0 HB2 LYS A 40 12.401 45.471 27.852 1.00 36.00 H new ATOM 0 HB3 LYS A 40 11.683 45.466 29.236 1.00 36.00 H new ATOM 0 HG2 LYS A 40 12.069 43.149 27.665 1.00 40.33 H new ATOM 0 HG3 LYS A 40 12.910 43.488 28.934 1.00 40.33 H new ATOM 0 HD2 LYS A 40 10.811 43.455 30.183 1.00 38.83 H new ATOM 0 HD3 LYS A 40 10.155 42.830 28.914 1.00 38.83 H new ATOM 0 HE2 LYS A 40 12.356 41.579 30.196 1.00 42.23 H new ATOM 0 HE3 LYS A 40 10.888 41.203 30.564 1.00 42.23 H new ATOM 0 HZ1 LYS A 40 11.787 39.788 28.967 1.00 44.88 H new ATOM 0 HZ2 LYS A 40 10.574 40.414 28.471 1.00 44.88 H new ATOM 0 HZ3 LYS A 40 11.872 40.890 28.023 1.00 44.88 H new ATOM 135 N ALA A 41 10.330 47.498 26.639 1.00 28.69 N ATOM 136 CA ALA A 41 10.051 48.920 26.617 1.00 29.04 C ATOM 137 C ALA A 41 8.585 49.160 26.981 1.00 27.06 C ATOM 138 O ALA A 41 7.763 48.262 26.868 1.00 27.51 O ATOM 139 CB ALA A 41 10.367 49.508 25.264 1.00 27.97 C ATOM 0 H ALA A 41 10.673 47.181 25.917 1.00 28.69 H new ATOM 0 HA ALA A 41 10.616 49.361 27.270 1.00 29.04 H new ATOM 0 HB1 ALA A 41 10.174 50.458 25.271 1.00 27.97 H new ATOM 0 HB2 ALA A 41 11.306 49.371 25.063 1.00 27.97 H new ATOM 0 HB3 ALA A 41 9.825 49.073 24.587 1.00 27.97 H new ATOM 140 N PRO A 42 8.266 50.375 27.437 1.00 25.65 N ATOM 141 CA PRO A 42 6.892 50.791 27.745 1.00 26.70 C ATOM 142 C PRO A 42 6.022 50.869 26.475 1.00 25.22 C ATOM 143 O PRO A 42 4.804 50.693 26.552 1.00 21.35 O ATOM 144 CB PRO A 42 7.063 52.205 28.293 1.00 28.83 C ATOM 145 CG PRO A 42 8.538 52.448 28.400 1.00 30.33 C ATOM 146 CD PRO A 42 9.226 51.482 27.535 1.00 27.25 C ATOM 0 HA PRO A 42 6.459 50.169 28.350 1.00 26.70 H new ATOM 0 HB2 PRO A 42 6.648 52.855 27.705 1.00 28.83 H new ATOM 0 HB3 PRO A 42 6.635 52.293 29.159 1.00 28.83 H new ATOM 0 HG2 PRO A 42 8.752 53.355 28.131 1.00 30.33 H new ATOM 0 HG3 PRO A 42 8.832 52.348 29.319 1.00 30.33 H new ATOM 0 HD2 PRO A 42 9.427 51.860 26.665 1.00 27.25 H new ATOM 0 HD3 PRO A 42 10.068 51.193 27.920 1.00 27.25 H new ATOM 147 N VAL A 43 6.645 51.155 25.336 1.00 24.57 N ATOM 148 CA VAL A 43 5.910 51.241 24.060 1.00 22.40 C ATOM 149 C VAL A 43 6.463 50.241 23.066 1.00 25.41 C ATOM 150 O VAL A 43 7.683 50.026 22.980 1.00 24.22 O ATOM 151 CB VAL A 43 5.939 52.652 23.465 1.00 25.19 C ATOM 152 CG1 VAL A 43 5.266 52.690 22.060 1.00 22.07 C ATOM 153 CG2 VAL A 43 5.257 53.633 24.412 1.00 24.40 C ATOM 0 H VAL A 43 7.490 51.303 25.273 1.00 24.57 H new ATOM 0 HA VAL A 43 4.983 51.028 24.249 1.00 22.40 H new ATOM 0 HB VAL A 43 6.866 52.914 23.353 1.00 25.19 H new ATOM 0 HG11 VAL A 43 5.299 53.594 21.709 1.00 22.07 H new ATOM 0 HG12 VAL A 43 5.738 52.093 21.459 1.00 22.07 H new ATOM 0 HG13 VAL A 43 4.341 52.407 22.136 1.00 22.07 H new ATOM 0 HG21 VAL A 43 5.280 54.523 24.028 1.00 24.40 H new ATOM 0 HG22 VAL A 43 4.335 53.364 24.548 1.00 24.40 H new ATOM 0 HG23 VAL A 43 5.721 53.637 25.264 1.00 24.40 H new ATOM 154 N ARG A 44 5.555 49.619 22.323 1.00 23.09 N ATOM 155 CA ARG A 44 5.892 48.543 21.432 1.00 23.81 C ATOM 156 C ARG A 44 5.233 48.784 20.073 1.00 25.60 C ATOM 157 O ARG A 44 4.062 49.113 20.008 1.00 23.54 O ATOM 158 CB ARG A 44 5.395 47.239 22.033 1.00 26.98 C ATOM 159 CG ARG A 44 5.795 45.995 21.258 1.00 31.47 C ATOM 160 CD ARG A 44 5.346 44.765 22.004 1.00 34.54 C ATOM 161 NE ARG A 44 3.934 44.495 21.786 1.00 37.75 N ATOM 162 CZ ARG A 44 3.180 43.740 22.582 1.00 42.88 C ATOM 163 NH1 ARG A 44 3.702 43.187 23.673 1.00 39.79 N ATOM 164 NH2 ARG A 44 1.897 43.550 22.288 1.00 42.43 N ATOM 0 H ARG A 44 4.719 49.819 22.329 1.00 23.09 H new ATOM 0 HA ARG A 44 6.853 48.496 21.309 1.00 23.81 H new ATOM 0 HB2 ARG A 44 5.733 47.164 22.939 1.00 26.98 H new ATOM 0 HB3 ARG A 44 4.427 47.272 22.093 1.00 26.98 H new ATOM 0 HG2 ARG A 44 5.396 46.012 20.374 1.00 31.47 H new ATOM 0 HG3 ARG A 44 6.757 45.976 21.134 1.00 31.47 H new ATOM 0 HD2 ARG A 44 5.871 44.001 21.717 1.00 34.54 H new ATOM 0 HD3 ARG A 44 5.511 44.882 22.953 1.00 34.54 H new ATOM 0 HE ARG A 44 3.561 44.847 21.096 1.00 37.75 H new ATOM 0 HH11 ARG A 44 4.530 43.317 23.867 1.00 39.79 H new ATOM 0 HH12 ARG A 44 3.212 42.700 24.185 1.00 39.79 H new ATOM 0 HH21 ARG A 44 1.558 43.914 21.586 1.00 42.43 H new ATOM 0 HH22 ARG A 44 1.406 43.063 22.799 1.00 42.43 H new ATOM 165 N ILE A 45 5.998 48.634 19.000 1.00 24.53 N ATOM 166 CA ILE A 45 5.487 48.824 17.634 1.00 22.81 C ATOM 167 C ILE A 45 5.649 47.526 16.889 1.00 23.07 C ATOM 168 O ILE A 45 6.766 47.025 16.730 1.00 23.81 O ATOM 169 CB ILE A 45 6.297 49.863 16.896 1.00 23.24 C ATOM 170 CG1 ILE A 45 6.095 51.224 17.533 1.00 23.64 C ATOM 171 CG2 ILE A 45 5.913 49.906 15.393 1.00 28.01 C ATOM 172 CD1 ILE A 45 6.876 52.309 16.861 1.00 27.36 C ATOM 0 H ILE A 45 6.830 48.419 19.036 1.00 24.53 H new ATOM 0 HA ILE A 45 4.561 49.107 17.685 1.00 22.81 H new ATOM 0 HB ILE A 45 7.234 49.621 16.957 1.00 23.24 H new ATOM 0 HG12 ILE A 45 5.152 51.449 17.509 1.00 23.64 H new ATOM 0 HG13 ILE A 45 6.352 51.179 18.467 1.00 23.64 H new ATOM 0 HG21 ILE A 45 6.446 50.579 14.942 1.00 28.01 H new ATOM 0 HG22 ILE A 45 6.080 49.039 14.991 1.00 28.01 H new ATOM 0 HG23 ILE A 45 4.972 50.126 15.305 1.00 28.01 H new ATOM 0 HD11 ILE A 45 6.709 53.153 17.309 1.00 27.36 H new ATOM 0 HD12 ILE A 45 7.823 52.102 16.906 1.00 27.36 H new ATOM 0 HD13 ILE A 45 6.604 52.376 15.932 1.00 27.36 H new ATOM 173 N VAL A 46 4.544 46.951 16.452 1.00 19.62 N ATOM 174 CA VAL A 46 4.624 45.740 15.677 1.00 22.01 C ATOM 175 C VAL A 46 4.190 46.046 14.243 1.00 25.66 C ATOM 176 O VAL A 46 3.141 46.639 14.029 1.00 22.22 O ATOM 177 CB VAL A 46 3.769 44.639 16.273 1.00 22.30 C ATOM 178 CG1 VAL A 46 3.752 43.434 15.325 1.00 26.37 C ATOM 179 CG2 VAL A 46 4.309 44.237 17.665 1.00 25.86 C ATOM 0 H VAL A 46 3.748 47.245 16.593 1.00 19.62 H new ATOM 0 HA VAL A 46 5.540 45.421 15.684 1.00 22.01 H new ATOM 0 HB VAL A 46 2.861 44.961 16.385 1.00 22.30 H new ATOM 0 HG11 VAL A 46 3.205 42.730 15.706 1.00 26.37 H new ATOM 0 HG12 VAL A 46 3.383 43.701 14.468 1.00 26.37 H new ATOM 0 HG13 VAL A 46 4.657 43.108 15.200 1.00 26.37 H new ATOM 0 HG21 VAL A 46 3.755 43.533 18.036 1.00 25.86 H new ATOM 0 HG22 VAL A 46 5.221 43.919 17.579 1.00 25.86 H new ATOM 0 HG23 VAL A 46 4.290 45.007 18.254 1.00 25.86 H new ATOM 180 N ASN A 47 5.026 45.685 13.277 1.00 26.03 N ATOM 181 CA ASN A 47 4.696 45.870 11.851 1.00 27.30 C ATOM 182 C ASN A 47 4.517 44.496 11.233 1.00 26.99 C ATOM 183 O ASN A 47 5.407 43.663 11.305 1.00 28.32 O ATOM 184 CB ASN A 47 5.818 46.642 11.140 1.00 25.60 C ATOM 185 CG ASN A 47 5.649 46.693 9.604 1.00 31.72 C ATOM 186 OD1 ASN A 47 6.574 46.058 8.898 1.00 28.27 O flip ATOM 187 ND2 ASN A 47 4.725 47.321 9.070 1.00 31.16 N flip ATOM 0 H ASN A 47 5.796 45.328 13.419 1.00 26.03 H new ATOM 0 HA ASN A 47 3.880 46.386 11.757 1.00 27.30 H new ATOM 0 HB2 ASN A 47 5.848 47.548 11.486 1.00 25.60 H new ATOM 0 HB3 ASN A 47 6.670 46.229 11.352 1.00 25.60 H new ATOM 0 HD21 ASN A 47 4.140 47.722 9.557 1.00 31.16 H new ATOM 0 HD22 ASN A 47 4.668 47.356 8.213 1.00 31.16 H new ATOM 188 N LEU A 48 3.351 44.218 10.677 1.00 23.36 N ATOM 189 CA LEU A 48 3.192 42.963 9.986 1.00 27.08 C ATOM 190 C LEU A 48 3.395 43.252 8.498 1.00 27.54 C ATOM 191 O LEU A 48 2.877 44.249 7.975 1.00 27.04 O ATOM 192 CB LEU A 48 1.815 42.360 10.231 1.00 28.28 C ATOM 193 CG LEU A 48 1.330 42.138 11.670 1.00 28.57 C ATOM 194 CD1 LEU A 48 -0.076 41.580 11.645 1.00 29.17 C ATOM 195 CD2 LEU A 48 2.282 41.228 12.455 1.00 29.07 C ATOM 0 H LEU A 48 2.659 44.729 10.689 1.00 23.36 H new ATOM 0 HA LEU A 48 3.837 42.315 10.311 1.00 27.08 H new ATOM 0 HB2 LEU A 48 1.166 42.931 9.791 1.00 28.28 H new ATOM 0 HB3 LEU A 48 1.790 41.501 9.780 1.00 28.28 H new ATOM 0 HG LEU A 48 1.322 42.991 12.131 1.00 28.57 H new ATOM 0 HD11 LEU A 48 -0.385 41.439 12.554 1.00 29.17 H new ATOM 0 HD12 LEU A 48 -0.665 42.207 11.198 1.00 29.17 H new ATOM 0 HD13 LEU A 48 -0.081 40.736 11.168 1.00 29.17 H new ATOM 0 HD21 LEU A 48 1.946 41.109 13.357 1.00 29.07 H new ATOM 0 HD22 LEU A 48 2.340 40.365 12.016 1.00 29.07 H new ATOM 0 HD23 LEU A 48 3.163 41.633 12.489 1.00 29.07 H new ATOM 196 N TRP A 49 4.145 42.391 7.825 1.00 27.32 N ATOM 197 CA TRP A 49 4.487 42.646 6.437 1.00 27.50 C ATOM 198 C TRP A 49 4.817 41.376 5.666 1.00 31.68 C ATOM 199 O TRP A 49 4.729 40.256 6.192 1.00 28.30 O ATOM 200 CB TRP A 49 5.684 43.585 6.373 1.00 27.91 C ATOM 201 CG TRP A 49 6.961 42.919 6.836 1.00 29.23 C ATOM 202 CD1 TRP A 49 7.278 42.556 8.118 1.00 29.33 C ATOM 203 CD2 TRP A 49 8.082 42.535 6.025 1.00 28.52 C ATOM 204 NE1 TRP A 49 8.535 41.987 8.153 1.00 30.02 N ATOM 205 CE2 TRP A 49 9.042 41.955 6.881 1.00 29.53 C ATOM 206 CE3 TRP A 49 8.367 42.627 4.658 1.00 31.07 C ATOM 207 CZ2 TRP A 49 10.261 41.464 6.414 1.00 30.14 C ATOM 208 CZ3 TRP A 49 9.580 42.152 4.196 1.00 31.44 C ATOM 209 CH2 TRP A 49 10.515 41.577 5.070 1.00 31.89 C ATOM 0 H TRP A 49 4.463 41.661 8.150 1.00 27.32 H new ATOM 0 HA TRP A 49 3.706 43.046 6.023 1.00 27.50 H new ATOM 0 HB2 TRP A 49 5.797 43.900 5.462 1.00 27.91 H new ATOM 0 HB3 TRP A 49 5.511 44.365 6.923 1.00 27.91 H new ATOM 0 HD1 TRP A 49 6.727 42.676 8.857 1.00 29.33 H new ATOM 0 HE1 TRP A 49 8.935 41.700 8.858 1.00 30.02 H new ATOM 0 HE3 TRP A 49 7.751 43.001 4.071 1.00 31.07 H new ATOM 0 HZ2 TRP A 49 10.878 41.075 6.991 1.00 30.14 H new ATOM 0 HZ3 TRP A 49 9.780 42.215 3.290 1.00 31.44 H new ATOM 0 HH2 TRP A 49 11.324 41.266 4.732 1.00 31.89 H new ATOM 210 N ALA A 50 5.198 41.569 4.401 1.00 29.39 N ATOM 211 CA ALA A 50 5.611 40.476 3.541 1.00 31.00 C ATOM 212 C ALA A 50 6.335 41.054 2.330 1.00 31.31 C ATOM 213 O ALA A 50 6.161 42.220 1.980 1.00 31.78 O ATOM 214 CB ALA A 50 4.423 39.636 3.125 1.00 34.47 C ATOM 0 H ALA A 50 5.222 42.341 4.023 1.00 29.39 H new ATOM 0 HA ALA A 50 6.215 39.890 4.024 1.00 31.00 H new ATOM 0 HB1 ALA A 50 4.722 38.913 2.552 1.00 34.47 H new ATOM 0 HB2 ALA A 50 3.995 39.267 3.914 1.00 34.47 H new ATOM 0 HB3 ALA A 50 3.789 40.189 2.643 1.00 34.47 H new ATOM 215 N THR A 51 7.170 40.240 1.709 1.00 32.51 N ATOM 216 CA THR A 51 8.073 40.728 0.673 1.00 33.98 C ATOM 217 C THR A 51 7.348 41.049 -0.640 1.00 35.60 C ATOM 218 O THR A 51 7.904 41.720 -1.500 1.00 35.98 O ATOM 219 CB THR A 51 9.189 39.713 0.401 1.00 36.13 C ATOM 220 OG1 THR A 51 8.613 38.544 -0.188 1.00 38.82 O ATOM 221 CG2 THR A 51 9.886 39.322 1.719 1.00 36.94 C ATOM 0 H THR A 51 7.233 39.398 1.871 1.00 32.51 H new ATOM 0 HA THR A 51 8.454 41.553 1.012 1.00 33.98 H new ATOM 0 HB THR A 51 9.843 40.107 -0.197 1.00 36.13 H new ATOM 0 HG1 THR A 51 8.224 38.094 0.405 1.00 38.82 H new ATOM 0 HG21 THR A 51 10.590 38.680 1.535 1.00 36.94 H new ATOM 0 HG22 THR A 51 10.270 40.113 2.129 1.00 36.94 H new ATOM 0 HG23 THR A 51 9.238 38.927 2.323 1.00 36.94 H new ATOM 222 N TRP A 52 6.117 40.578 -0.795 1.00 32.87 N ATOM 223 CA TRP A 52 5.346 40.906 -2.006 1.00 40.13 C ATOM 224 C TRP A 52 4.479 42.131 -1.774 1.00 39.95 C ATOM 225 O TRP A 52 3.651 42.485 -2.606 1.00 37.23 O ATOM 226 CB TRP A 52 4.455 39.741 -2.423 1.00 37.28 C ATOM 227 CG TRP A 52 3.758 39.097 -1.264 1.00 41.87 C ATOM 228 CD1 TRP A 52 3.975 37.838 -0.774 1.00 43.20 C ATOM 229 CD2 TRP A 52 2.743 39.684 -0.430 1.00 38.70 C ATOM 230 NE1 TRP A 52 3.151 37.602 0.300 1.00 43.67 N ATOM 231 CE2 TRP A 52 2.388 38.718 0.532 1.00 41.12 C ATOM 232 CE3 TRP A 52 2.105 40.930 -0.406 1.00 40.21 C ATOM 233 CZ2 TRP A 52 1.417 38.957 1.506 1.00 42.05 C ATOM 234 CZ3 TRP A 52 1.155 41.170 0.569 1.00 40.80 C ATOM 235 CH2 TRP A 52 0.813 40.186 1.503 1.00 43.22 C ATOM 0 H TRP A 52 5.710 40.076 -0.228 1.00 32.87 H new ATOM 0 HA TRP A 52 5.984 41.088 -2.714 1.00 40.13 H new ATOM 0 HB2 TRP A 52 3.793 40.057 -3.058 1.00 37.28 H new ATOM 0 HB3 TRP A 52 4.993 39.076 -2.881 1.00 37.28 H new ATOM 0 HD1 TRP A 52 4.590 37.231 -1.118 1.00 43.20 H new ATOM 0 HE1 TRP A 52 3.119 36.872 0.754 1.00 43.67 H new ATOM 0 HE3 TRP A 52 2.316 41.583 -1.033 1.00 40.21 H new ATOM 0 HZ2 TRP A 52 1.189 38.308 2.132 1.00 42.05 H new ATOM 0 HZ3 TRP A 52 0.736 42.000 0.605 1.00 40.80 H new ATOM 0 HH2 TRP A 52 0.159 40.371 2.138 1.00 43.22 H new ATOM 236 N CYS A 53 4.664 42.765 -0.622 1.00 36.58 N ATOM 237 CA CYS A 53 3.897 43.942 -0.283 1.00 35.26 C ATOM 238 C CYS A 53 4.660 45.197 -0.648 1.00 37.63 C ATOM 239 O CYS A 53 5.588 45.580 0.040 1.00 41.06 O ATOM 240 CB CYS A 53 3.566 43.924 1.214 1.00 42.27 C ATOM 241 SG CYS A 53 2.948 45.486 1.829 1.00 46.53 S ATOM 0 H CYS A 53 5.233 42.524 -0.024 1.00 36.58 H new ATOM 0 HA CYS A 53 3.069 43.939 -0.789 1.00 35.26 H new ATOM 0 HB2 CYS A 53 2.905 43.234 1.383 1.00 42.27 H new ATOM 0 HB3 CYS A 53 4.363 43.682 1.711 1.00 42.27 H new ATOM 242 N GLY A 54 4.291 45.827 -1.761 1.00 41.49 N ATOM 243 CA GLY A 54 4.972 47.028 -2.211 1.00 38.14 C ATOM 244 C GLY A 54 4.825 48.187 -1.239 1.00 40.59 C ATOM 245 O GLY A 54 5.764 48.959 -1.030 1.00 42.61 O ATOM 0 H GLY A 54 3.646 45.571 -2.269 1.00 41.49 H new ATOM 0 HA2 GLY A 54 5.914 46.833 -2.336 1.00 38.14 H new ATOM 0 HA3 GLY A 54 4.620 47.290 -3.076 1.00 38.14 H new ATOM 246 N PRO A 55 3.628 48.339 -0.660 1.00 38.46 N ATOM 247 CA PRO A 55 3.449 49.396 0.336 1.00 42.48 C ATOM 248 C PRO A 55 4.296 49.134 1.590 1.00 44.12 C ATOM 249 O PRO A 55 4.964 50.063 2.046 1.00 46.73 O ATOM 250 CB PRO A 55 1.953 49.321 0.652 1.00 42.74 C ATOM 251 CG PRO A 55 1.341 48.743 -0.605 1.00 43.39 C ATOM 252 CD PRO A 55 2.344 47.724 -1.044 1.00 42.85 C ATOM 0 HA PRO A 55 3.730 50.269 0.019 1.00 42.48 H new ATOM 0 HB2 PRO A 55 1.781 48.757 1.422 1.00 42.74 H new ATOM 0 HB3 PRO A 55 1.588 50.197 0.854 1.00 42.74 H new ATOM 0 HG2 PRO A 55 0.476 48.340 -0.429 1.00 43.39 H new ATOM 0 HG3 PRO A 55 1.204 49.424 -1.282 1.00 43.39 H new ATOM 0 HD2 PRO A 55 2.207 46.871 -0.602 1.00 42.85 H new ATOM 0 HD3 PRO A 55 2.295 47.560 -1.999 1.00 42.85 H new ATOM 253 N CYS A 56 4.282 47.908 2.122 1.00 42.37 N ATOM 254 CA CYS A 56 5.144 47.576 3.276 1.00 42.81 C ATOM 255 C CYS A 56 6.576 47.914 2.927 1.00 41.03 C ATOM 256 O CYS A 56 7.297 48.486 3.726 1.00 45.35 O ATOM 257 CB CYS A 56 5.107 46.090 3.634 1.00 35.97 C ATOM 258 SG CYS A 56 3.478 45.312 3.815 1.00 43.85 S ATOM 0 H CYS A 56 3.791 47.261 1.839 1.00 42.37 H new ATOM 0 HA CYS A 56 4.814 48.086 4.032 1.00 42.81 H new ATOM 0 HB2 CYS A 56 5.596 45.605 2.951 1.00 35.97 H new ATOM 0 HB3 CYS A 56 5.590 45.971 4.467 1.00 35.97 H new ATOM 259 N ARG A 57 6.981 47.555 1.718 1.00 42.46 N ATOM 260 CA ARG A 57 8.368 47.719 1.298 1.00 45.93 C ATOM 261 C ARG A 57 8.746 49.189 1.147 1.00 47.48 C ATOM 262 O ARG A 57 9.922 49.561 1.197 1.00 47.99 O ATOM 263 CB ARG A 57 8.608 46.981 -0.024 1.00 47.08 C ATOM 264 CG ARG A 57 8.479 45.456 0.054 1.00 44.82 C ATOM 265 CD ARG A 57 8.623 44.832 -1.344 1.00 43.40 C ATOM 266 NE ARG A 57 9.933 45.118 -1.931 1.00 47.03 N ATOM 267 CZ ARG A 57 10.777 44.186 -2.367 1.00 45.82 C ATOM 268 NH1 ARG A 57 10.445 42.903 -2.307 1.00 41.86 N ATOM 269 NH2 ARG A 57 11.950 44.538 -2.876 1.00 46.02 N ATOM 0 H ARG A 57 6.466 47.212 1.121 1.00 42.46 H new ATOM 0 HA ARG A 57 8.930 47.339 1.991 1.00 45.93 H new ATOM 0 HB2 ARG A 57 7.978 47.312 -0.683 1.00 47.08 H new ATOM 0 HB3 ARG A 57 9.496 47.201 -0.345 1.00 47.08 H new ATOM 0 HG2 ARG A 57 9.159 45.098 0.646 1.00 44.82 H new ATOM 0 HG3 ARG A 57 7.619 45.218 0.434 1.00 44.82 H new ATOM 0 HD2 ARG A 57 8.497 43.872 -1.285 1.00 43.40 H new ATOM 0 HD3 ARG A 57 7.926 45.174 -1.925 1.00 43.40 H new ATOM 0 HE ARG A 57 10.173 45.941 -1.998 1.00 47.03 H new ATOM 0 HH11 ARG A 57 9.682 42.671 -1.985 1.00 41.86 H new ATOM 0 HH12 ARG A 57 10.993 42.303 -2.590 1.00 41.86 H new ATOM 0 HH21 ARG A 57 12.166 45.369 -2.924 1.00 46.02 H new ATOM 0 HH22 ARG A 57 12.495 43.935 -3.158 1.00 46.02 H new ATOM 270 N LYS A 58 7.743 50.027 0.936 1.00 48.46 N ATOM 271 CA LYS A 58 7.999 51.446 0.794 1.00 48.02 C ATOM 272 C LYS A 58 8.293 52.043 2.178 1.00 48.65 C ATOM 273 O LYS A 58 9.239 52.819 2.332 1.00 45.04 O ATOM 274 CB LYS A 58 6.804 52.130 0.122 1.00 50.13 C ATOM 275 CG LYS A 58 7.105 53.507 -0.456 1.00 54.22 C ATOM 276 CD LYS A 58 5.828 54.274 -0.804 1.00 55.33 C ATOM 277 CE LYS A 58 6.148 55.627 -1.441 1.00 59.36 C ATOM 278 NZ LYS A 58 4.943 56.506 -1.573 1.00 56.14 N ATOM 0 H LYS A 58 6.917 49.797 0.873 1.00 48.46 H new ATOM 0 HA LYS A 58 8.773 51.592 0.227 1.00 48.02 H new ATOM 0 HB2 LYS A 58 6.477 51.558 -0.590 1.00 50.13 H new ATOM 0 HB3 LYS A 58 6.088 52.214 0.770 1.00 50.13 H new ATOM 0 HG2 LYS A 58 7.625 54.019 0.184 1.00 54.22 H new ATOM 0 HG3 LYS A 58 7.651 53.410 -1.252 1.00 54.22 H new ATOM 0 HD2 LYS A 58 5.288 53.747 -1.413 1.00 55.33 H new ATOM 0 HD3 LYS A 58 5.300 54.409 -0.001 1.00 55.33 H new ATOM 0 HE2 LYS A 58 6.818 56.081 -0.906 1.00 59.36 H new ATOM 0 HE3 LYS A 58 6.536 55.483 -2.318 1.00 59.36 H new ATOM 0 HZ1 LYS A 58 5.178 57.278 -1.947 1.00 56.14 H new ATOM 0 HZ2 LYS A 58 4.335 56.103 -2.083 1.00 56.14 H new ATOM 0 HZ3 LYS A 58 4.598 56.660 -0.767 1.00 56.14 H new ATOM 279 N GLU A 59 7.496 51.638 3.174 1.00 44.86 N ATOM 280 CA GLU A 59 7.550 52.163 4.549 1.00 40.41 C ATOM 281 C GLU A 59 8.801 51.781 5.364 1.00 37.86 C ATOM 282 O GLU A 59 9.151 52.457 6.322 1.00 36.84 O ATOM 283 CB GLU A 59 6.311 51.692 5.337 1.00 38.72 C ATOM 284 CG GLU A 59 4.943 52.192 4.839 1.00 42.22 C ATOM 285 CD GLU A 59 3.758 51.569 5.605 1.00 41.84 C ATOM 286 OE1 GLU A 59 3.904 50.460 6.177 1.00 41.07 O ATOM 287 OE2 GLU A 59 2.671 52.193 5.632 1.00 42.57 O ATOM 0 H GLU A 59 6.893 51.034 3.067 1.00 44.86 H new ATOM 0 HA GLU A 59 7.580 53.126 4.437 1.00 40.41 H new ATOM 0 HB2 GLU A 59 6.299 50.722 5.331 1.00 38.72 H new ATOM 0 HB3 GLU A 59 6.417 51.969 6.261 1.00 38.72 H new ATOM 0 HG2 GLU A 59 4.906 53.157 4.926 1.00 42.22 H new ATOM 0 HG3 GLU A 59 4.854 51.988 3.895 1.00 42.22 H new HETATM 288 N MSE A 60 9.457 50.685 5.007 1.00 38.51 N HETATM 289 CA MSE A 60 10.475 50.109 5.880 1.00 36.15 C HETATM 290 C MSE A 60 11.755 50.919 6.114 1.00 36.38 C HETATM 291 O MSE A 60 12.214 51.021 7.257 1.00 34.63 O HETATM 292 CB MSE A 60 10.763 48.657 5.503 1.00 36.96 C HETATM 293 CG MSE A 60 9.661 47.730 6.007 1.00 36.03 C HETATM 294 SE MSE A 60 9.738 45.883 5.390 1.00 44.05 SE HETATM 295 CE MSE A 60 11.384 45.238 6.257 1.00 34.05 C HETATM 0 H MSE A 60 9.331 50.261 4.270 1.00 38.51 H new HETATM 0 HA MSE A 60 10.062 50.144 6.757 1.00 36.15 H new HETATM 0 HB2 MSE A 60 10.840 48.579 4.539 1.00 36.96 H new HETATM 0 HB3 MSE A 60 11.615 48.385 5.878 1.00 36.96 H new HETATM 0 HG2 MSE A 60 9.684 47.728 6.977 1.00 36.03 H new HETATM 0 HG3 MSE A 60 8.805 48.103 5.744 1.00 36.03 H new HETATM 0 HE1 MSE A 60 11.532 44.309 6.020 1.00 34.05 H new HETATM 0 HE2 MSE A 60 12.137 45.771 5.959 1.00 34.05 H new HETATM 0 HE3 MSE A 60 11.294 45.315 7.220 1.00 34.05 H new ATOM 296 N PRO A 61 12.343 51.478 5.048 1.00 38.05 N ATOM 297 CA PRO A 61 13.501 52.353 5.285 1.00 38.86 C ATOM 298 C PRO A 61 13.187 53.592 6.144 1.00 36.97 C ATOM 299 O PRO A 61 14.054 54.042 6.885 1.00 37.76 O ATOM 300 CB PRO A 61 13.945 52.732 3.869 1.00 39.97 C ATOM 301 CG PRO A 61 13.582 51.523 3.047 1.00 40.55 C ATOM 302 CD PRO A 61 12.234 51.083 3.629 1.00 40.11 C ATOM 0 HA PRO A 61 14.188 51.905 5.802 1.00 38.86 H new ATOM 0 HB2 PRO A 61 13.489 53.528 3.553 1.00 39.97 H new ATOM 0 HB3 PRO A 61 14.897 52.916 3.831 1.00 39.97 H new ATOM 0 HG2 PRO A 61 13.510 51.741 2.105 1.00 40.55 H new ATOM 0 HG3 PRO A 61 14.250 50.824 3.126 1.00 40.55 H new ATOM 0 HD2 PRO A 61 11.491 51.525 3.189 1.00 40.11 H new ATOM 0 HD3 PRO A 61 12.095 50.128 3.531 1.00 40.11 H new ATOM 303 N ALA A 62 11.973 54.122 6.081 1.00 35.88 N ATOM 304 CA ALA A 62 11.614 55.221 6.966 1.00 33.95 C ATOM 305 C ALA A 62 11.550 54.758 8.433 1.00 34.90 C ATOM 306 O ALA A 62 11.979 55.471 9.338 1.00 34.85 O ATOM 307 CB ALA A 62 10.301 55.827 6.544 1.00 36.85 C ATOM 0 H ALA A 62 11.352 53.866 5.544 1.00 35.88 H new ATOM 0 HA ALA A 62 12.305 55.898 6.899 1.00 33.95 H new ATOM 0 HB1 ALA A 62 10.074 56.557 7.141 1.00 36.85 H new ATOM 0 HB2 ALA A 62 10.376 56.163 5.637 1.00 36.85 H new ATOM 0 HB3 ALA A 62 9.606 55.152 6.581 1.00 36.85 H new HETATM 308 N MSE A 63 11.013 53.565 8.658 1.00 34.39 N HETATM 309 CA MSE A 63 10.903 53.015 10.004 1.00 31.79 C HETATM 310 C MSE A 63 12.293 52.713 10.498 1.00 33.93 C HETATM 311 O MSE A 63 12.604 52.935 11.654 1.00 30.57 O HETATM 312 CB MSE A 63 10.110 51.718 10.004 1.00 30.30 C HETATM 313 CG MSE A 63 8.668 51.858 9.516 1.00 36.63 C HETATM 314 SE MSE A 63 7.877 50.091 9.231 1.00 48.29 SE HETATM 315 CE MSE A 63 7.340 49.762 11.076 1.00 33.53 C HETATM 0 H MSE A 63 10.704 53.054 8.039 1.00 34.39 H new HETATM 0 HA MSE A 63 10.449 53.659 10.570 1.00 31.79 H new HETATM 0 HB2 MSE A 63 10.568 51.072 9.444 1.00 30.30 H new HETATM 0 HB3 MSE A 63 10.101 51.357 10.904 1.00 30.30 H new HETATM 0 HG2 MSE A 63 8.146 52.352 10.167 1.00 36.63 H new HETATM 0 HG3 MSE A 63 8.647 52.366 8.690 1.00 36.63 H new HETATM 0 HE1 MSE A 63 6.910 48.895 11.138 1.00 33.53 H new HETATM 0 HE2 MSE A 63 8.123 49.776 11.649 1.00 33.53 H new HETATM 0 HE3 MSE A 63 6.719 50.451 11.360 1.00 33.53 H new ATOM 316 N SER A 64 13.125 52.197 9.603 1.00 32.34 N ATOM 317 CA SER A 64 14.511 51.908 9.927 1.00 35.25 C ATOM 318 C SER A 64 15.265 53.134 10.432 1.00 33.68 C ATOM 319 O SER A 64 15.907 53.075 11.459 1.00 35.65 O ATOM 320 CB SER A 64 15.233 51.342 8.704 1.00 34.11 C ATOM 321 OG SER A 64 16.382 50.635 9.114 1.00 35.39 O ATOM 0 H SER A 64 12.902 52.006 8.795 1.00 32.34 H new ATOM 0 HA SER A 64 14.498 51.254 10.643 1.00 35.25 H new ATOM 0 HB2 SER A 64 14.640 50.754 8.211 1.00 34.11 H new ATOM 0 HB3 SER A 64 15.483 52.062 8.103 1.00 34.11 H new ATOM 0 HG SER A 64 16.599 50.878 9.888 1.00 35.39 H new ATOM 322 N LYS A 65 15.209 54.236 9.690 1.00 36.51 N ATOM 323 CA LYS A 65 15.922 55.450 10.079 1.00 36.02 C ATOM 324 C LYS A 65 15.346 56.070 11.354 1.00 36.87 C ATOM 325 O LYS A 65 16.097 56.516 12.230 1.00 36.37 O ATOM 326 CB LYS A 65 15.917 56.476 8.943 1.00 41.50 C ATOM 327 CG LYS A 65 16.662 57.773 9.270 1.00 45.78 C ATOM 328 CD LYS A 65 16.215 58.935 8.374 1.00 46.96 C ATOM 329 CE LYS A 65 17.031 60.200 8.663 1.00 53.36 C ATOM 330 NZ LYS A 65 16.602 61.362 7.829 1.00 55.42 N ATOM 0 H LYS A 65 14.764 54.302 8.957 1.00 36.51 H new ATOM 0 HA LYS A 65 16.839 55.192 10.264 1.00 36.02 H new ATOM 0 HB2 LYS A 65 16.316 56.074 8.156 1.00 41.50 H new ATOM 0 HB3 LYS A 65 14.998 56.690 8.717 1.00 41.50 H new ATOM 0 HG2 LYS A 65 16.511 58.006 10.199 1.00 45.78 H new ATOM 0 HG3 LYS A 65 17.616 57.632 9.164 1.00 45.78 H new ATOM 0 HD2 LYS A 65 16.317 58.686 7.442 1.00 46.96 H new ATOM 0 HD3 LYS A 65 15.273 59.114 8.518 1.00 46.96 H new ATOM 0 HE2 LYS A 65 16.944 60.430 9.601 1.00 53.36 H new ATOM 0 HE3 LYS A 65 17.970 60.019 8.501 1.00 53.36 H new ATOM 0 HZ1 LYS A 65 17.101 62.072 8.029 1.00 55.42 H new ATOM 0 HZ2 LYS A 65 16.703 61.163 6.967 1.00 55.42 H new ATOM 0 HZ3 LYS A 65 15.747 61.545 7.993 1.00 55.42 H new ATOM 331 N TRP A 66 14.017 56.101 11.452 1.00 33.88 N ATOM 332 CA TRP A 66 13.365 56.582 12.664 1.00 32.80 C ATOM 333 C TRP A 66 13.882 55.802 13.855 1.00 30.18 C ATOM 334 O TRP A 66 14.255 56.389 14.851 1.00 32.72 O ATOM 335 CB TRP A 66 11.838 56.451 12.575 1.00 31.58 C ATOM 336 CG TRP A 66 11.110 56.787 13.867 1.00 28.65 C ATOM 337 CD1 TRP A 66 10.738 58.023 14.291 1.00 28.14 C ATOM 338 CD2 TRP A 66 10.674 55.868 14.879 1.00 27.71 C ATOM 339 NE1 TRP A 66 10.102 57.937 15.501 1.00 30.18 N ATOM 340 CE2 TRP A 66 10.046 56.624 15.882 1.00 30.01 C ATOM 341 CE3 TRP A 66 10.757 54.482 15.033 1.00 27.39 C ATOM 342 CZ2 TRP A 66 9.510 56.042 17.033 1.00 28.45 C ATOM 343 CZ3 TRP A 66 10.211 53.905 16.173 1.00 25.96 C ATOM 344 CH2 TRP A 66 9.604 54.682 17.151 1.00 26.65 C ATOM 0 H TRP A 66 13.479 55.849 10.830 1.00 33.88 H new ATOM 0 HA TRP A 66 13.574 57.524 12.768 1.00 32.80 H new ATOM 0 HB2 TRP A 66 11.513 57.034 11.871 1.00 31.58 H new ATOM 0 HB3 TRP A 66 11.615 55.543 12.316 1.00 31.58 H new ATOM 0 HD1 TRP A 66 10.893 58.814 13.827 1.00 28.14 H new ATOM 0 HE1 TRP A 66 9.789 58.601 15.949 1.00 30.18 H new ATOM 0 HE3 TRP A 66 11.169 53.956 14.386 1.00 27.39 H new ATOM 0 HZ2 TRP A 66 9.106 56.558 17.693 1.00 28.45 H new ATOM 0 HZ3 TRP A 66 10.253 52.982 16.283 1.00 25.96 H new ATOM 0 HH2 TRP A 66 9.252 54.267 17.906 1.00 26.65 H new ATOM 345 N TYR A 67 13.927 54.480 13.743 1.00 29.88 N ATOM 346 CA TYR A 67 14.230 53.625 14.888 1.00 30.57 C ATOM 347 C TYR A 67 15.620 53.878 15.496 1.00 35.50 C ATOM 348 O TYR A 67 15.795 53.818 16.713 1.00 31.78 O ATOM 349 CB TYR A 67 14.127 52.161 14.482 1.00 27.47 C ATOM 350 CG TYR A 67 14.193 51.206 15.640 1.00 31.33 C ATOM 351 CD1 TYR A 67 13.216 51.215 16.626 1.00 31.70 C ATOM 352 CD2 TYR A 67 15.222 50.279 15.749 1.00 31.24 C ATOM 353 CE1 TYR A 67 13.269 50.339 17.686 1.00 29.55 C ATOM 354 CE2 TYR A 67 15.284 49.399 16.809 1.00 29.14 C ATOM 355 CZ TYR A 67 14.302 49.431 17.774 1.00 29.96 C ATOM 356 OH TYR A 67 14.341 48.552 18.834 1.00 30.52 O ATOM 0 H TYR A 67 13.785 54.055 13.009 1.00 29.88 H new ATOM 0 HA TYR A 67 13.576 53.845 15.570 1.00 30.57 H new ATOM 0 HB2 TYR A 67 13.292 52.023 14.007 1.00 27.47 H new ATOM 0 HB3 TYR A 67 14.844 51.955 13.862 1.00 27.47 H new ATOM 0 HD1 TYR A 67 12.514 51.823 16.569 1.00 31.70 H new ATOM 0 HD2 TYR A 67 15.882 50.251 15.094 1.00 31.24 H new ATOM 0 HE1 TYR A 67 12.609 50.360 18.341 1.00 29.55 H new ATOM 0 HE2 TYR A 67 15.983 48.789 16.872 1.00 29.14 H new ATOM 0 HH TYR A 67 15.017 48.058 18.764 1.00 30.52 H new ATOM 357 N LYS A 68 16.607 54.135 14.639 1.00 35.76 N ATOM 358 CA LYS A 68 17.997 54.283 15.085 1.00 34.92 C ATOM 359 C LYS A 68 18.173 55.554 15.911 1.00 34.14 C ATOM 360 O LYS A 68 19.119 55.676 16.697 1.00 36.69 O ATOM 361 CB LYS A 68 18.953 54.279 13.873 1.00 36.21 C ATOM 362 CG LYS A 68 19.125 52.900 13.216 1.00 39.36 C ATOM 363 CD LYS A 68 20.108 52.900 12.025 1.00 37.34 C ATOM 364 CE LYS A 68 19.791 54.023 11.043 1.00 38.84 C ATOM 365 NZ LYS A 68 20.129 53.706 9.609 1.00 41.31 N ATOM 0 H LYS A 68 16.494 54.228 13.791 1.00 35.76 H new ATOM 0 HA LYS A 68 18.217 53.528 15.652 1.00 34.92 H new ATOM 0 HB2 LYS A 68 18.621 54.904 13.209 1.00 36.21 H new ATOM 0 HB3 LYS A 68 19.822 54.602 14.158 1.00 36.21 H new ATOM 0 HG2 LYS A 68 19.437 52.269 13.883 1.00 39.36 H new ATOM 0 HG3 LYS A 68 18.260 52.585 12.911 1.00 39.36 H new ATOM 0 HD2 LYS A 68 21.016 53.001 12.352 1.00 37.34 H new ATOM 0 HD3 LYS A 68 20.065 52.046 11.567 1.00 37.34 H new ATOM 0 HE2 LYS A 68 18.846 54.234 11.103 1.00 38.84 H new ATOM 0 HE3 LYS A 68 20.276 54.819 11.310 1.00 38.84 H new ATOM 0 HZ1 LYS A 68 19.919 54.401 9.094 1.00 41.31 H new ATOM 0 HZ2 LYS A 68 21.000 53.538 9.539 1.00 41.31 H new ATOM 0 HZ3 LYS A 68 19.667 52.992 9.346 1.00 41.31 H new ATOM 366 N ALA A 69 17.246 56.493 15.738 1.00 33.53 N ATOM 367 CA ALA A 69 17.269 57.756 16.467 1.00 33.90 C ATOM 368 C ALA A 69 16.355 57.785 17.686 1.00 32.86 C ATOM 369 O ALA A 69 16.104 58.855 18.239 1.00 36.52 O ATOM 370 CB ALA A 69 16.936 58.909 15.550 1.00 31.00 C ATOM 0 H ALA A 69 16.585 56.414 15.193 1.00 33.53 H new ATOM 0 HA ALA A 69 18.176 57.847 16.800 1.00 33.90 H new ATOM 0 HB1 ALA A 69 16.956 59.739 16.052 1.00 31.00 H new ATOM 0 HB2 ALA A 69 17.587 58.950 14.832 1.00 31.00 H new ATOM 0 HB3 ALA A 69 16.050 58.780 15.176 1.00 31.00 H new ATOM 371 N GLN A 70 15.854 56.628 18.104 1.00 32.14 N ATOM 372 CA GLN A 70 15.114 56.532 19.368 1.00 32.30 C ATOM 373 C GLN A 70 16.064 56.092 20.470 1.00 30.65 C ATOM 374 O GLN A 70 17.073 55.457 20.178 1.00 29.24 O ATOM 375 CB GLN A 70 13.966 55.531 19.245 1.00 30.63 C ATOM 376 CG GLN A 70 13.063 55.830 18.056 1.00 28.60 C ATOM 377 CD GLN A 70 12.614 57.279 18.037 1.00 28.27 C ATOM 378 OE1 GLN A 70 12.893 58.017 17.096 1.00 31.13 O ATOM 379 NE2 GLN A 70 11.933 57.698 19.088 1.00 30.19 N ATOM 0 H GLN A 70 15.929 55.886 17.675 1.00 32.14 H new ATOM 0 HA GLN A 70 14.740 57.401 19.582 1.00 32.30 H new ATOM 0 HB2 GLN A 70 14.329 54.636 19.156 1.00 30.63 H new ATOM 0 HB3 GLN A 70 13.440 55.544 20.060 1.00 30.63 H new ATOM 0 HG2 GLN A 70 13.535 55.627 17.233 1.00 28.60 H new ATOM 0 HG3 GLN A 70 12.285 55.251 18.087 1.00 28.60 H new ATOM 0 HE21 GLN A 70 11.755 57.154 19.730 1.00 30.19 H new ATOM 0 HE22 GLN A 70 11.668 58.515 19.131 1.00 30.19 H new ATOM 380 N LYS A 71 15.739 56.413 21.725 1.00 29.86 N ATOM 381 CA LYS A 71 16.581 56.007 22.861 1.00 29.44 C ATOM 382 C LYS A 71 16.376 54.534 23.212 1.00 29.29 C ATOM 383 O LYS A 71 15.270 54.025 23.116 1.00 31.47 O ATOM 384 CB LYS A 71 16.304 56.855 24.116 1.00 30.10 C ATOM 385 CG LYS A 71 16.240 58.350 23.918 1.00 31.64 C ATOM 386 CD LYS A 71 17.420 58.884 23.153 1.00 37.18 C ATOM 387 CE LYS A 71 18.397 59.637 24.050 1.00 36.88 C ATOM 388 NZ LYS A 71 19.576 60.147 23.268 1.00 38.92 N ATOM 0 H LYS A 71 15.039 56.863 21.942 1.00 29.86 H new ATOM 0 HA LYS A 71 17.498 56.149 22.579 1.00 29.44 H new ATOM 0 HB2 LYS A 71 15.462 56.563 24.500 1.00 30.10 H new ATOM 0 HB3 LYS A 71 16.995 56.665 24.770 1.00 30.10 H new ATOM 0 HG2 LYS A 71 15.424 58.575 23.445 1.00 31.64 H new ATOM 0 HG3 LYS A 71 16.196 58.786 24.783 1.00 31.64 H new ATOM 0 HD2 LYS A 71 17.882 58.149 22.720 1.00 37.18 H new ATOM 0 HD3 LYS A 71 17.107 59.475 22.451 1.00 37.18 H new ATOM 0 HE2 LYS A 71 17.942 60.381 24.475 1.00 36.88 H new ATOM 0 HE3 LYS A 71 18.706 59.051 24.759 1.00 36.88 H new ATOM 0 HZ1 LYS A 71 20.129 60.581 23.814 1.00 38.92 H new ATOM 0 HZ2 LYS A 71 20.005 59.462 22.896 1.00 38.92 H new ATOM 0 HZ3 LYS A 71 19.293 60.700 22.631 1.00 38.92 H new ATOM 389 N LYS A 72 17.451 53.874 23.639 1.00 30.38 N ATOM 390 CA LYS A 72 17.460 52.475 24.101 1.00 29.65 C ATOM 391 C LYS A 72 16.263 52.021 24.958 1.00 30.88 C ATOM 392 O LYS A 72 15.712 50.946 24.754 1.00 34.68 O ATOM 393 CB LYS A 72 18.760 52.188 24.888 1.00 30.19 C ATOM 394 CG LYS A 72 19.785 51.211 24.216 1.00 30.90 C ATOM 395 CD LYS A 72 20.770 51.932 23.377 1.00 29.57 C ATOM 396 CE LYS A 72 21.985 51.077 22.920 1.00 27.42 C ATOM 397 NZ LYS A 72 21.839 49.885 22.007 1.00 18.97 N ATOM 0 H LYS A 72 18.229 54.239 23.671 1.00 30.38 H new ATOM 0 HA LYS A 72 17.397 51.962 23.280 1.00 29.65 H new ATOM 0 HB2 LYS A 72 19.208 53.033 25.051 1.00 30.19 H new ATOM 0 HB3 LYS A 72 18.517 51.824 25.753 1.00 30.19 H new ATOM 0 HG2 LYS A 72 20.252 50.710 24.903 1.00 30.90 H new ATOM 0 HG3 LYS A 72 19.307 50.567 23.671 1.00 30.90 H new ATOM 0 HD2 LYS A 72 20.317 52.274 22.590 1.00 29.57 H new ATOM 0 HD3 LYS A 72 21.098 52.699 23.872 1.00 29.57 H new ATOM 0 HE2 LYS A 72 22.605 51.685 22.486 1.00 27.42 H new ATOM 0 HE3 LYS A 72 22.419 50.757 23.727 1.00 27.42 H new ATOM 0 HZ1 LYS A 72 22.639 49.525 21.858 1.00 18.97 H new ATOM 0 HZ2 LYS A 72 21.309 49.281 22.390 1.00 18.97 H new ATOM 0 HZ3 LYS A 72 21.482 50.145 21.234 1.00 18.97 H new ATOM 398 N GLY A 73 15.884 52.801 25.949 1.00 28.32 N ATOM 399 CA GLY A 73 14.858 52.320 26.859 1.00 34.53 C ATOM 400 C GLY A 73 13.414 52.479 26.393 1.00 34.51 C ATOM 401 O GLY A 73 12.488 51.872 26.952 1.00 33.07 O ATOM 0 H GLY A 73 16.193 53.587 26.113 1.00 28.32 H new ATOM 0 HA2 GLY A 73 15.021 51.379 27.032 1.00 34.53 H new ATOM 0 HA3 GLY A 73 14.958 52.785 27.704 1.00 34.53 H new ATOM 402 N SER A 74 13.230 53.277 25.349 1.00 30.94 N ATOM 403 CA SER A 74 11.955 53.945 25.120 1.00 30.06 C ATOM 404 C SER A 74 10.895 53.179 24.312 1.00 30.30 C ATOM 405 O SER A 74 9.695 53.434 24.483 1.00 30.10 O ATOM 406 CB SER A 74 12.217 55.312 24.485 1.00 30.12 C ATOM 407 OG SER A 74 12.879 55.164 23.230 1.00 31.18 O ATOM 0 H SER A 74 13.833 53.446 24.759 1.00 30.94 H new ATOM 0 HA SER A 74 11.554 54.016 26.001 1.00 30.06 H new ATOM 0 HB2 SER A 74 11.378 55.782 24.360 1.00 30.12 H new ATOM 0 HB3 SER A 74 12.759 55.852 25.081 1.00 30.12 H new ATOM 0 HG SER A 74 13.676 54.932 23.359 1.00 31.18 H new ATOM 408 N VAL A 75 11.322 52.266 23.440 1.00 29.21 N ATOM 409 CA VAL A 75 10.412 51.633 22.472 1.00 25.65 C ATOM 410 C VAL A 75 11.026 50.359 21.924 1.00 26.43 C ATOM 411 O VAL A 75 12.238 50.272 21.751 1.00 28.13 O ATOM 412 CB VAL A 75 10.051 52.594 21.303 1.00 25.04 C ATOM 413 CG1 VAL A 75 11.281 52.891 20.427 1.00 24.63 C ATOM 414 CG2 VAL A 75 8.896 52.008 20.422 1.00 24.13 C ATOM 0 H VAL A 75 12.137 51.996 23.389 1.00 29.21 H new ATOM 0 HA VAL A 75 9.592 51.418 22.943 1.00 25.65 H new ATOM 0 HB VAL A 75 9.745 53.425 21.699 1.00 25.04 H new ATOM 0 HG11 VAL A 75 11.029 53.491 19.708 1.00 24.63 H new ATOM 0 HG12 VAL A 75 11.971 53.307 20.968 1.00 24.63 H new ATOM 0 HG13 VAL A 75 11.620 52.063 20.053 1.00 24.63 H new ATOM 0 HG21 VAL A 75 8.692 52.626 19.703 1.00 24.13 H new ATOM 0 HG22 VAL A 75 9.174 51.157 20.048 1.00 24.13 H new ATOM 0 HG23 VAL A 75 8.106 51.877 20.969 1.00 24.13 H new ATOM 415 N ASP A 76 10.216 49.339 21.697 1.00 25.55 N ATOM 416 CA ASP A 76 10.701 48.199 20.933 1.00 24.79 C ATOM 417 C ASP A 76 9.976 48.189 19.593 1.00 27.93 C ATOM 418 O ASP A 76 8.784 48.491 19.529 1.00 25.15 O ATOM 419 CB ASP A 76 10.422 46.879 21.644 1.00 26.95 C ATOM 420 CG ASP A 76 11.070 46.798 23.017 1.00 30.03 C ATOM 421 OD1 ASP A 76 12.236 47.199 23.137 1.00 30.11 O ATOM 422 OD2 ASP A 76 10.404 46.331 23.963 1.00 33.31 O ATOM 0 H ASP A 76 9.402 49.284 21.968 1.00 25.55 H new ATOM 0 HA ASP A 76 11.661 48.285 20.825 1.00 24.79 H new ATOM 0 HB2 ASP A 76 9.463 46.763 21.737 1.00 26.95 H new ATOM 0 HB3 ASP A 76 10.745 46.147 21.095 1.00 26.95 H new HETATM 423 N MSE A 77 10.686 47.825 18.529 1.00 26.77 N HETATM 424 CA MSE A 77 10.038 47.625 17.237 1.00 27.15 C HETATM 425 C MSE A 77 10.404 46.270 16.676 1.00 29.33 C HETATM 426 O MSE A 77 11.564 45.851 16.744 1.00 28.13 O HETATM 427 CB MSE A 77 10.440 48.731 16.264 1.00 26.52 C HETATM 428 CG MSE A 77 9.901 48.568 14.870 1.00 30.49 C HETATM 429 SE MSE A 77 10.406 50.151 13.868 1.00 54.21 SE HETATM 430 CE MSE A 77 8.858 51.203 14.246 1.00 26.14 C HETATM 0 H MSE A 77 11.535 47.690 18.533 1.00 26.77 H new HETATM 0 HA MSE A 77 9.077 47.660 17.361 1.00 27.15 H new HETATM 0 HB2 MSE A 77 10.137 49.582 16.617 1.00 26.52 H new HETATM 0 HB3 MSE A 77 11.408 48.771 16.221 1.00 26.52 H new HETATM 0 HG2 MSE A 77 10.263 47.770 14.454 1.00 30.49 H new HETATM 0 HG3 MSE A 77 8.936 48.466 14.886 1.00 30.49 H new HETATM 0 HE1 MSE A 77 8.938 52.065 13.809 1.00 26.14 H new HETATM 0 HE2 MSE A 77 8.068 50.746 13.918 1.00 26.14 H new HETATM 0 HE3 MSE A 77 8.781 51.333 15.204 1.00 26.14 H new ATOM 431 N VAL A 78 9.398 45.570 16.154 1.00 26.05 N ATOM 432 CA VAL A 78 9.626 44.339 15.416 1.00 27.56 C ATOM 433 C VAL A 78 8.849 44.351 14.102 1.00 27.14 C ATOM 434 O VAL A 78 7.722 44.839 14.044 1.00 25.31 O ATOM 435 CB VAL A 78 9.223 43.085 16.231 1.00 26.37 C ATOM 436 CG1 VAL A 78 7.733 43.050 16.465 1.00 29.22 C ATOM 437 CG2 VAL A 78 9.637 41.832 15.508 1.00 28.21 C ATOM 0 H VAL A 78 8.571 45.797 16.219 1.00 26.05 H new ATOM 0 HA VAL A 78 10.578 44.292 15.238 1.00 27.56 H new ATOM 0 HB VAL A 78 9.677 43.132 17.087 1.00 26.37 H new ATOM 0 HG11 VAL A 78 7.504 42.258 16.976 1.00 29.22 H new ATOM 0 HG12 VAL A 78 7.464 43.841 16.958 1.00 29.22 H new ATOM 0 HG13 VAL A 78 7.272 43.028 15.612 1.00 29.22 H new ATOM 0 HG21 VAL A 78 9.378 41.056 16.030 1.00 28.21 H new ATOM 0 HG22 VAL A 78 9.201 41.799 14.642 1.00 28.21 H new ATOM 0 HG23 VAL A 78 10.599 41.832 15.385 1.00 28.21 H new ATOM 438 N GLY A 79 9.442 43.806 13.048 1.00 24.11 N ATOM 439 CA GLY A 79 8.669 43.576 11.833 1.00 28.12 C ATOM 440 C GLY A 79 8.443 42.091 11.664 1.00 27.17 C ATOM 441 O GLY A 79 9.389 41.339 11.456 1.00 30.08 O ATOM 0 H GLY A 79 10.267 43.567 13.013 1.00 24.11 H new ATOM 0 HA2 GLY A 79 7.819 44.040 11.884 1.00 28.12 H new ATOM 0 HA3 GLY A 79 9.141 43.932 11.064 1.00 28.12 H new ATOM 442 N ILE A 80 7.197 41.662 11.758 1.00 25.19 N ATOM 443 CA ILE A 80 6.863 40.251 11.723 1.00 25.27 C ATOM 444 C ILE A 80 6.362 39.903 10.338 1.00 28.79 C ATOM 445 O ILE A 80 5.316 40.398 9.911 1.00 28.58 O ATOM 446 CB ILE A 80 5.754 39.915 12.728 1.00 24.61 C ATOM 447 CG1 ILE A 80 6.213 40.215 14.169 1.00 24.46 C ATOM 448 CG2 ILE A 80 5.320 38.461 12.587 1.00 25.65 C ATOM 449 CD1 ILE A 80 5.073 40.148 15.187 1.00 26.51 C ATOM 0 H ILE A 80 6.518 42.183 11.844 1.00 25.19 H new ATOM 0 HA ILE A 80 7.659 39.745 11.951 1.00 25.27 H new ATOM 0 HB ILE A 80 4.988 40.478 12.533 1.00 24.61 H new ATOM 0 HG12 ILE A 80 6.903 39.582 14.422 1.00 24.46 H new ATOM 0 HG13 ILE A 80 6.614 41.098 14.198 1.00 24.46 H new ATOM 0 HG21 ILE A 80 4.620 38.268 13.230 1.00 25.65 H new ATOM 0 HG22 ILE A 80 4.985 38.309 11.689 1.00 25.65 H new ATOM 0 HG23 ILE A 80 6.078 37.879 12.752 1.00 25.65 H new ATOM 0 HD11 ILE A 80 5.418 40.344 16.072 1.00 26.51 H new ATOM 0 HD12 ILE A 80 4.392 40.798 14.954 1.00 26.51 H new ATOM 0 HD13 ILE A 80 4.685 39.259 15.181 1.00 26.51 H new ATOM 450 N ALA A 81 7.101 39.039 9.650 1.00 28.57 N ATOM 451 CA ALA A 81 6.814 38.697 8.259 1.00 28.60 C ATOM 452 C ALA A 81 5.880 37.516 8.150 1.00 30.57 C ATOM 453 O ALA A 81 6.136 36.469 8.733 1.00 33.50 O ATOM 454 CB ALA A 81 8.104 38.398 7.523 1.00 30.62 C ATOM 0 H ALA A 81 7.785 38.633 9.977 1.00 28.57 H new ATOM 0 HA ALA A 81 6.374 39.461 7.855 1.00 28.60 H new ATOM 0 HB1 ALA A 81 7.906 38.172 6.601 1.00 30.62 H new ATOM 0 HB2 ALA A 81 8.679 39.179 7.548 1.00 30.62 H new ATOM 0 HB3 ALA A 81 8.554 37.652 7.949 1.00 30.62 H new ATOM 455 N LEU A 82 4.786 37.689 7.416 1.00 30.85 N ATOM 456 CA LEU A 82 3.946 36.561 7.047 1.00 30.81 C ATOM 457 C LEU A 82 4.484 36.031 5.719 1.00 34.27 C ATOM 458 O LEU A 82 3.801 36.062 4.697 1.00 32.47 O ATOM 459 CB LEU A 82 2.472 36.980 6.944 1.00 31.71 C ATOM 460 CG LEU A 82 1.821 37.373 8.281 1.00 36.54 C ATOM 461 CD1 LEU A 82 1.739 38.891 8.468 1.00 34.36 C ATOM 462 CD2 LEU A 82 0.443 36.776 8.384 1.00 40.02 C ATOM 0 H LEU A 82 4.515 38.451 7.123 1.00 30.85 H new ATOM 0 HA LEU A 82 3.976 35.866 7.723 1.00 30.81 H new ATOM 0 HB2 LEU A 82 2.403 37.730 6.332 1.00 31.71 H new ATOM 0 HB3 LEU A 82 1.967 36.249 6.555 1.00 31.71 H new ATOM 0 HG LEU A 82 2.387 37.021 8.985 1.00 36.54 H new ATOM 0 HD11 LEU A 82 1.323 39.090 9.321 1.00 34.36 H new ATOM 0 HD12 LEU A 82 2.632 39.268 8.448 1.00 34.36 H new ATOM 0 HD13 LEU A 82 1.209 39.277 7.753 1.00 34.36 H new ATOM 0 HD21 LEU A 82 0.042 37.030 9.230 1.00 40.02 H new ATOM 0 HD22 LEU A 82 -0.107 37.103 7.655 1.00 40.02 H new ATOM 0 HD23 LEU A 82 0.504 35.809 8.333 1.00 40.02 H new ATOM 463 N ASP A 83 5.730 35.566 5.745 1.00 34.40 N ATOM 464 CA ASP A 83 6.446 35.193 4.521 1.00 37.84 C ATOM 465 C ASP A 83 7.477 34.112 4.837 1.00 40.35 C ATOM 466 O ASP A 83 7.640 33.718 5.991 1.00 38.63 O ATOM 467 CB ASP A 83 7.159 36.421 3.964 1.00 37.03 C ATOM 468 CG ASP A 83 7.179 36.468 2.453 1.00 38.71 C ATOM 469 OD1 ASP A 83 6.808 35.478 1.788 1.00 40.40 O ATOM 470 OD2 ASP A 83 7.571 37.526 1.932 1.00 40.24 O ATOM 0 H ASP A 83 6.185 35.457 6.467 1.00 34.40 H new ATOM 0 HA ASP A 83 5.814 34.854 3.868 1.00 37.84 H new ATOM 0 HB2 ASP A 83 6.724 37.220 4.300 1.00 37.03 H new ATOM 0 HB3 ASP A 83 8.071 36.435 4.294 1.00 37.03 H new ATOM 471 N THR A 84 8.184 33.653 3.806 1.00 42.88 N ATOM 472 CA THR A 84 9.135 32.555 3.933 1.00 40.11 C ATOM 473 C THR A 84 10.518 33.052 4.305 1.00 39.94 C ATOM 474 O THR A 84 10.948 34.136 3.898 1.00 38.26 O ATOM 475 CB THR A 84 9.239 31.718 2.620 1.00 42.64 C ATOM 476 OG1 THR A 84 9.972 32.450 1.633 1.00 43.74 O ATOM 477 CG2 THR A 84 7.855 31.402 2.066 1.00 43.10 C ATOM 0 H THR A 84 8.124 33.973 3.010 1.00 42.88 H new ATOM 0 HA THR A 84 8.795 31.989 4.643 1.00 40.11 H new ATOM 0 HB THR A 84 9.696 30.888 2.829 1.00 42.64 H new ATOM 0 HG1 THR A 84 10.026 31.995 0.929 1.00 43.74 H new ATOM 0 HG21 THR A 84 7.943 30.882 1.252 1.00 43.10 H new ATOM 0 HG22 THR A 84 7.352 30.893 2.721 1.00 43.10 H new ATOM 0 HG23 THR A 84 7.387 32.229 1.872 1.00 43.10 H new ATOM 478 N SER A 85 11.218 32.250 5.095 1.00 42.35 N ATOM 479 CA SER A 85 12.595 32.560 5.436 1.00 42.22 C ATOM 480 C SER A 85 13.367 32.898 4.167 1.00 42.63 C ATOM 481 O SER A 85 14.260 33.749 4.161 1.00 43.06 O ATOM 482 CB SER A 85 13.240 31.383 6.171 1.00 44.96 C ATOM 483 OG SER A 85 14.543 31.722 6.624 1.00 45.11 O ATOM 0 H SER A 85 10.915 31.524 5.442 1.00 42.35 H new ATOM 0 HA SER A 85 12.615 33.328 6.029 1.00 42.22 H new ATOM 0 HB2 SER A 85 12.688 31.126 6.926 1.00 44.96 H new ATOM 0 HB3 SER A 85 13.288 30.615 5.580 1.00 44.96 H new ATOM 0 HG SER A 85 14.485 32.217 7.300 1.00 45.11 H new ATOM 484 N ASP A 86 13.008 32.231 3.080 1.00 44.38 N ATOM 485 CA ASP A 86 13.730 32.387 1.834 1.00 44.97 C ATOM 486 C ASP A 86 13.480 33.762 1.233 1.00 41.71 C ATOM 487 O ASP A 86 14.415 34.456 0.865 1.00 40.89 O ATOM 488 CB ASP A 86 13.308 31.298 0.862 1.00 46.79 C ATOM 489 CG ASP A 86 14.431 30.868 -0.037 1.00 55.05 C ATOM 490 OD1 ASP A 86 14.758 31.617 -0.987 1.00 56.41 O ATOM 491 OD2 ASP A 86 14.982 29.771 0.208 1.00 61.05 O ATOM 0 H ASP A 86 12.347 31.682 3.045 1.00 44.38 H new ATOM 0 HA ASP A 86 14.680 32.307 2.010 1.00 44.97 H new ATOM 0 HB2 ASP A 86 12.984 30.531 1.360 1.00 46.79 H new ATOM 0 HB3 ASP A 86 12.569 31.619 0.322 1.00 46.79 H new ATOM 492 N ASN A 87 12.210 34.149 1.149 1.00 42.75 N ATOM 493 CA ASN A 87 11.818 35.457 0.613 1.00 42.23 C ATOM 494 C ASN A 87 12.297 36.647 1.445 1.00 42.54 C ATOM 495 O ASN A 87 12.624 37.708 0.894 1.00 42.05 O ATOM 496 CB ASN A 87 10.296 35.532 0.465 1.00 39.95 C ATOM 497 CG ASN A 87 9.774 34.631 -0.634 1.00 41.49 C ATOM 498 OD1 ASN A 87 10.677 34.143 -1.464 1.00 40.34 O flip ATOM 499 ND2 ASN A 87 8.574 34.366 -0.726 1.00 39.48 N flip ATOM 0 H ASN A 87 11.548 33.662 1.401 1.00 42.75 H new ATOM 0 HA ASN A 87 12.257 35.525 -0.249 1.00 42.23 H new ATOM 0 HB2 ASN A 87 9.880 35.286 1.306 1.00 39.95 H new ATOM 0 HB3 ASN A 87 10.037 36.448 0.278 1.00 39.95 H new ATOM 0 HD21 ASN A 87 8.015 34.703 -0.166 1.00 39.48 H new ATOM 0 HD22 ASN A 87 8.296 33.844 -1.350 1.00 39.48 H new ATOM 500 N ILE A 88 12.311 36.481 2.769 1.00 40.22 N ATOM 501 CA ILE A 88 12.766 37.544 3.658 1.00 39.67 C ATOM 502 C ILE A 88 14.255 37.777 3.467 1.00 39.81 C ATOM 503 O ILE A 88 14.698 38.918 3.331 1.00 39.12 O ATOM 504 CB ILE A 88 12.485 37.226 5.153 1.00 37.65 C ATOM 505 CG1 ILE A 88 10.981 37.125 5.415 1.00 36.95 C ATOM 506 CG2 ILE A 88 13.097 38.294 6.050 1.00 36.35 C ATOM 507 CD1 ILE A 88 10.631 36.377 6.714 1.00 37.01 C ATOM 0 H ILE A 88 12.061 35.762 3.169 1.00 40.22 H new ATOM 0 HA ILE A 88 12.267 38.343 3.426 1.00 39.67 H new ATOM 0 HB ILE A 88 12.893 36.370 5.359 1.00 37.65 H new ATOM 0 HG12 ILE A 88 10.606 38.019 5.454 1.00 36.95 H new ATOM 0 HG13 ILE A 88 10.560 36.674 4.667 1.00 36.95 H new ATOM 0 HG21 ILE A 88 12.913 38.081 6.978 1.00 36.35 H new ATOM 0 HG22 ILE A 88 14.056 38.324 5.909 1.00 36.35 H new ATOM 0 HG23 ILE A 88 12.712 39.158 5.834 1.00 36.35 H new ATOM 0 HD11 ILE A 88 9.667 36.348 6.821 1.00 37.01 H new ATOM 0 HD12 ILE A 88 10.979 35.472 6.671 1.00 37.01 H new ATOM 0 HD13 ILE A 88 11.026 36.839 7.470 1.00 37.01 H new ATOM 508 N GLY A 89 15.021 36.685 3.473 1.00 42.50 N ATOM 509 CA GLY A 89 16.460 36.739 3.259 1.00 40.79 C ATOM 510 C GLY A 89 16.826 37.572 2.049 1.00 43.88 C ATOM 511 O GLY A 89 17.660 38.472 2.139 1.00 44.78 O ATOM 0 H GLY A 89 14.716 35.891 3.602 1.00 42.50 H new ATOM 0 HA2 GLY A 89 16.889 37.109 4.046 1.00 40.79 H new ATOM 0 HA3 GLY A 89 16.803 35.839 3.146 1.00 40.79 H new ATOM 512 N ASN A 90 16.188 37.275 0.918 1.00 43.76 N ATOM 513 CA ASN A 90 16.436 37.998 -0.332 1.00 47.11 C ATOM 514 C ASN A 90 16.152 39.482 -0.194 1.00 47.77 C ATOM 515 O ASN A 90 16.853 40.321 -0.765 1.00 48.42 O ATOM 516 CB ASN A 90 15.544 37.456 -1.459 1.00 46.28 C ATOM 517 CG ASN A 90 16.138 36.256 -2.163 1.00 49.45 C ATOM 518 OD1 ASN A 90 16.779 36.394 -3.208 1.00 56.63 O ATOM 519 ND2 ASN A 90 15.910 35.067 -1.613 1.00 46.03 N ATOM 0 H ASN A 90 15.600 36.651 0.852 1.00 43.76 H new ATOM 0 HA ASN A 90 17.374 37.866 -0.543 1.00 47.11 H new ATOM 0 HB2 ASN A 90 14.680 37.213 -1.091 1.00 46.28 H new ATOM 0 HB3 ASN A 90 15.388 38.160 -2.108 1.00 46.28 H new ATOM 0 HD21 ASN A 90 16.214 34.355 -1.987 1.00 46.03 H new ATOM 0 HD22 ASN A 90 15.459 35.010 -0.883 1.00 46.03 H new ATOM 520 N PHE A 91 15.092 39.795 0.548 1.00 44.54 N ATOM 521 CA PHE A 91 14.597 41.157 0.625 1.00 42.64 C ATOM 522 C PHE A 91 15.534 42.028 1.449 1.00 45.97 C ATOM 523 O PHE A 91 15.860 43.143 1.051 1.00 47.44 O ATOM 524 CB PHE A 91 13.184 41.176 1.202 1.00 44.44 C ATOM 525 CG PHE A 91 12.694 42.549 1.548 1.00 45.14 C ATOM 526 CD1 PHE A 91 13.109 43.175 2.714 1.00 43.43 C ATOM 527 CD2 PHE A 91 11.835 43.221 0.704 1.00 45.44 C ATOM 528 CE1 PHE A 91 12.667 44.447 3.032 1.00 43.87 C ATOM 529 CE2 PHE A 91 11.392 44.490 1.023 1.00 49.17 C ATOM 530 CZ PHE A 91 11.806 45.100 2.193 1.00 44.92 C ATOM 0 H PHE A 91 14.646 39.227 1.015 1.00 44.54 H new ATOM 0 HA PHE A 91 14.565 41.523 -0.273 1.00 42.64 H new ATOM 0 HB2 PHE A 91 12.576 40.776 0.561 1.00 44.44 H new ATOM 0 HB3 PHE A 91 13.161 40.623 1.998 1.00 44.44 H new ATOM 0 HD1 PHE A 91 13.692 42.734 3.289 1.00 43.43 H new ATOM 0 HD2 PHE A 91 11.552 42.817 -0.085 1.00 45.44 H new ATOM 0 HE1 PHE A 91 12.955 44.858 3.815 1.00 43.87 H new ATOM 0 HE2 PHE A 91 10.813 44.936 0.448 1.00 49.17 H new ATOM 0 HZ PHE A 91 11.500 45.951 2.409 1.00 44.92 H new ATOM 531 N LEU A 92 15.958 41.509 2.599 1.00 46.10 N ATOM 532 CA LEU A 92 16.813 42.241 3.527 1.00 45.81 C ATOM 533 C LEU A 92 18.206 42.430 2.949 1.00 47.65 C ATOM 534 O LEU A 92 18.976 43.286 3.394 1.00 46.95 O ATOM 535 CB LEU A 92 16.897 41.485 4.845 1.00 43.23 C ATOM 536 CG LEU A 92 15.562 41.399 5.584 1.00 41.76 C ATOM 537 CD1 LEU A 92 15.708 40.574 6.859 1.00 40.12 C ATOM 538 CD2 LEU A 92 15.062 42.800 5.885 1.00 38.33 C ATOM 0 H LEU A 92 15.755 40.716 2.864 1.00 46.10 H new ATOM 0 HA LEU A 92 16.426 43.118 3.678 1.00 45.81 H new ATOM 0 HB2 LEU A 92 17.223 40.587 4.675 1.00 43.23 H new ATOM 0 HB3 LEU A 92 17.548 41.919 5.418 1.00 43.23 H new ATOM 0 HG LEU A 92 14.910 40.952 5.023 1.00 41.76 H new ATOM 0 HD11 LEU A 92 14.853 40.529 7.315 1.00 40.12 H new ATOM 0 HD12 LEU A 92 16.001 39.677 6.633 1.00 40.12 H new ATOM 0 HD13 LEU A 92 16.363 40.990 7.441 1.00 40.12 H new ATOM 0 HD21 LEU A 92 14.215 42.748 6.354 1.00 38.33 H new ATOM 0 HD22 LEU A 92 15.710 43.263 6.439 1.00 38.33 H new ATOM 0 HD23 LEU A 92 14.942 43.286 5.054 1.00 38.33 H new ATOM 539 N LYS A 93 18.520 41.597 1.963 1.00 48.99 N ATOM 540 CA LYS A 93 19.750 41.713 1.191 1.00 52.67 C ATOM 541 C LYS A 93 19.805 43.072 0.488 1.00 51.46 C ATOM 542 O LYS A 93 20.838 43.745 0.489 1.00 52.97 O ATOM 543 CB LYS A 93 19.813 40.575 0.166 1.00 52.90 C ATOM 544 CG LYS A 93 21.137 40.429 -0.563 1.00 54.22 C ATOM 545 CD LYS A 93 20.995 39.448 -1.719 1.00 55.64 C ATOM 546 CE LYS A 93 20.382 38.121 -1.268 1.00 55.38 C ATOM 547 NZ LYS A 93 19.860 37.334 -2.437 1.00 55.52 N ATOM 0 H LYS A 93 18.019 40.941 1.721 1.00 48.99 H new ATOM 0 HA LYS A 93 20.513 41.648 1.786 1.00 52.67 H new ATOM 0 HB2 LYS A 93 19.617 39.740 0.619 1.00 52.90 H new ATOM 0 HB3 LYS A 93 19.113 40.712 -0.491 1.00 52.90 H new ATOM 0 HG2 LYS A 93 21.427 41.292 -0.896 1.00 54.22 H new ATOM 0 HG3 LYS A 93 21.820 40.118 0.052 1.00 54.22 H new ATOM 0 HD2 LYS A 93 20.440 39.842 -2.411 1.00 55.64 H new ATOM 0 HD3 LYS A 93 21.866 39.284 -2.113 1.00 55.64 H new ATOM 0 HE2 LYS A 93 21.049 37.598 -0.796 1.00 55.38 H new ATOM 0 HE3 LYS A 93 19.660 38.292 -0.643 1.00 55.38 H new ATOM 0 HZ1 LYS A 93 19.510 36.569 -2.147 1.00 55.52 H new ATOM 0 HZ2 LYS A 93 19.234 37.806 -2.857 1.00 55.52 H new ATOM 0 HZ3 LYS A 93 20.527 37.160 -3.000 1.00 55.52 H new ATOM 548 N GLN A 94 18.679 43.468 -0.097 1.00 51.02 N ATOM 549 CA GLN A 94 18.565 44.746 -0.789 1.00 52.96 C ATOM 550 C GLN A 94 18.079 45.861 0.137 1.00 53.26 C ATOM 551 O GLN A 94 18.517 47.001 0.021 1.00 56.98 O ATOM 552 CB GLN A 94 17.602 44.621 -1.973 1.00 56.70 C ATOM 553 CG GLN A 94 17.881 43.439 -2.900 1.00 58.44 C ATOM 554 CD GLN A 94 19.158 43.612 -3.710 1.00 60.40 C ATOM 555 OE1 GLN A 94 19.435 44.697 -4.234 1.00 61.60 O ATOM 556 NE2 GLN A 94 19.941 42.538 -3.821 1.00 57.98 N ATOM 0 H GLN A 94 17.957 43.001 -0.103 1.00 51.02 H new ATOM 0 HA GLN A 94 19.452 44.980 -1.103 1.00 52.96 H new ATOM 0 HB2 GLN A 94 16.697 44.542 -1.632 1.00 56.70 H new ATOM 0 HB3 GLN A 94 17.639 45.439 -2.492 1.00 56.70 H new ATOM 0 HG2 GLN A 94 17.945 42.628 -2.372 1.00 58.44 H new ATOM 0 HG3 GLN A 94 17.132 43.325 -3.506 1.00 58.44 H new ATOM 0 HE21 GLN A 94 19.715 41.800 -3.442 1.00 57.98 H new ATOM 0 HE22 GLN A 94 20.672 42.584 -4.272 1.00 57.98 H new ATOM 557 N THR A 95 17.162 45.531 1.040 1.00 49.71 N ATOM 558 CA THR A 95 16.559 46.507 1.948 1.00 48.85 C ATOM 559 C THR A 95 16.708 46.035 3.388 1.00 45.69 C ATOM 560 O THR A 95 15.772 45.473 3.943 1.00 43.72 O ATOM 561 CB THR A 95 15.045 46.668 1.657 1.00 47.79 C ATOM 562 OG1 THR A 95 14.866 47.184 0.337 1.00 55.53 O ATOM 563 CG2 THR A 95 14.360 47.602 2.666 1.00 47.15 C ATOM 0 H THR A 95 16.869 44.729 1.146 1.00 49.71 H new ATOM 0 HA THR A 95 17.012 47.354 1.815 1.00 48.85 H new ATOM 0 HB THR A 95 14.635 45.793 1.737 1.00 47.79 H new ATOM 0 HG1 THR A 95 14.046 47.270 0.178 1.00 55.53 H new ATOM 0 HG21 THR A 95 13.417 47.676 2.450 1.00 47.15 H new ATOM 0 HG22 THR A 95 14.459 47.241 3.561 1.00 47.15 H new ATOM 0 HG23 THR A 95 14.771 48.480 2.625 1.00 47.15 H new ATOM 564 N PRO A 96 17.901 46.229 3.978 1.00 44.33 N ATOM 565 CA PRO A 96 18.193 45.912 5.384 1.00 43.16 C ATOM 566 C PRO A 96 17.663 46.980 6.338 1.00 39.82 C ATOM 567 O PRO A 96 17.728 48.167 6.031 1.00 39.46 O ATOM 568 CB PRO A 96 19.730 45.897 5.431 1.00 46.51 C ATOM 569 CG PRO A 96 20.172 45.849 3.970 1.00 49.00 C ATOM 570 CD PRO A 96 19.115 46.592 3.236 1.00 46.47 C ATOM 0 HA PRO A 96 17.776 45.081 5.660 1.00 43.16 H new ATOM 0 HB2 PRO A 96 20.075 46.687 5.876 1.00 46.51 H new ATOM 0 HB3 PRO A 96 20.059 45.128 5.922 1.00 46.51 H new ATOM 0 HG2 PRO A 96 21.042 46.262 3.850 1.00 49.00 H new ATOM 0 HG3 PRO A 96 20.246 44.935 3.653 1.00 49.00 H new ATOM 0 HD2 PRO A 96 19.272 47.549 3.246 1.00 46.47 H new ATOM 0 HD3 PRO A 96 19.064 46.323 2.305 1.00 46.47 H new ATOM 571 N VAL A 97 17.163 46.566 7.494 1.00 38.94 N ATOM 572 CA VAL A 97 16.593 47.512 8.446 1.00 35.82 C ATOM 573 C VAL A 97 17.278 47.408 9.828 1.00 34.57 C ATOM 574 O VAL A 97 17.949 46.431 10.120 1.00 36.44 O ATOM 575 CB VAL A 97 15.062 47.327 8.573 1.00 31.57 C ATOM 576 CG1 VAL A 97 14.375 47.598 7.235 1.00 34.72 C ATOM 577 CG2 VAL A 97 14.741 45.932 9.055 1.00 32.42 C ATOM 0 H VAL A 97 17.143 45.744 7.747 1.00 38.94 H new ATOM 0 HA VAL A 97 16.759 48.403 8.101 1.00 35.82 H new ATOM 0 HB VAL A 97 14.729 47.965 9.223 1.00 31.57 H new ATOM 0 HG11 VAL A 97 13.417 47.478 7.332 1.00 34.72 H new ATOM 0 HG12 VAL A 97 14.559 48.508 6.955 1.00 34.72 H new ATOM 0 HG13 VAL A 97 14.712 46.980 6.567 1.00 34.72 H new ATOM 0 HG21 VAL A 97 13.779 45.829 9.130 1.00 32.42 H new ATOM 0 HG22 VAL A 97 15.087 45.283 8.422 1.00 32.42 H new ATOM 0 HG23 VAL A 97 15.150 45.787 9.922 1.00 32.42 H new ATOM 578 N SER A 98 17.089 48.418 10.668 1.00 32.10 N ATOM 579 CA SER A 98 17.812 48.519 11.936 1.00 36.44 C ATOM 580 C SER A 98 17.143 47.764 13.088 1.00 34.69 C ATOM 581 O SER A 98 17.694 47.672 14.190 1.00 34.96 O ATOM 582 CB SER A 98 17.979 49.990 12.315 1.00 38.72 C ATOM 583 OG SER A 98 16.807 50.740 12.006 1.00 38.10 O ATOM 0 H SER A 98 16.540 49.064 10.522 1.00 32.10 H new ATOM 0 HA SER A 98 18.675 48.099 11.796 1.00 36.44 H new ATOM 0 HB2 SER A 98 18.171 50.062 13.263 1.00 38.72 H new ATOM 0 HB3 SER A 98 18.739 50.364 11.842 1.00 38.72 H new ATOM 0 HG SER A 98 17.027 51.500 11.723 1.00 38.10 H new ATOM 584 N TYR A 99 15.969 47.212 12.817 1.00 32.28 N ATOM 585 CA TYR A 99 15.148 46.582 13.834 1.00 29.41 C ATOM 586 C TYR A 99 14.958 45.099 13.555 1.00 29.72 C ATOM 587 O TYR A 99 15.105 44.653 12.426 1.00 33.55 O ATOM 588 CB TYR A 99 13.803 47.315 13.943 1.00 31.40 C ATOM 589 CG TYR A 99 13.013 47.399 12.645 1.00 29.33 C ATOM 590 CD1 TYR A 99 13.143 48.492 11.790 1.00 30.78 C ATOM 591 CD2 TYR A 99 12.133 46.396 12.288 1.00 28.08 C ATOM 592 CE1 TYR A 99 12.411 48.575 10.600 1.00 29.36 C ATOM 593 CE2 TYR A 99 11.402 46.469 11.103 1.00 31.07 C ATOM 594 CZ TYR A 99 11.556 47.551 10.271 1.00 29.27 C ATOM 595 OH TYR A 99 10.822 47.615 9.125 1.00 31.55 O ATOM 0 H TYR A 99 15.625 47.193 12.029 1.00 32.28 H new ATOM 0 HA TYR A 99 15.604 46.649 14.687 1.00 29.41 H new ATOM 0 HB2 TYR A 99 13.259 46.868 14.610 1.00 31.40 H new ATOM 0 HB3 TYR A 99 13.965 48.215 14.267 1.00 31.40 H new ATOM 0 HD1 TYR A 99 13.728 49.180 12.015 1.00 30.78 H new ATOM 0 HD2 TYR A 99 12.026 45.660 12.847 1.00 28.08 H new ATOM 0 HE1 TYR A 99 12.502 49.312 10.040 1.00 29.36 H new ATOM 0 HE2 TYR A 99 10.812 45.787 10.877 1.00 31.07 H new ATOM 0 HH TYR A 99 10.253 46.997 9.122 1.00 31.55 H new ATOM 596 N PRO A 100 14.644 44.322 14.594 1.00 31.44 N ATOM 597 CA PRO A 100 14.443 42.873 14.479 1.00 28.96 C ATOM 598 C PRO A 100 13.378 42.503 13.470 1.00 30.29 C ATOM 599 O PRO A 100 12.339 43.155 13.395 1.00 28.33 O ATOM 600 CB PRO A 100 13.966 42.481 15.872 1.00 32.40 C ATOM 601 CG PRO A 100 14.584 43.495 16.776 1.00 31.84 C ATOM 602 CD PRO A 100 14.637 44.776 16.000 1.00 31.12 C ATOM 0 HA PRO A 100 15.251 42.427 14.180 1.00 28.96 H new ATOM 0 HB2 PRO A 100 12.998 42.497 15.932 1.00 32.40 H new ATOM 0 HB3 PRO A 100 14.249 41.582 16.103 1.00 32.40 H new ATOM 0 HG2 PRO A 100 14.060 43.602 17.585 1.00 31.84 H new ATOM 0 HG3 PRO A 100 15.473 43.219 17.049 1.00 31.84 H new ATOM 0 HD2 PRO A 100 13.872 45.341 16.190 1.00 31.12 H new ATOM 0 HD3 PRO A 100 15.430 45.291 16.214 1.00 31.12 H new ATOM 603 N ILE A 101 13.634 41.434 12.727 1.00 29.83 N ATOM 604 CA ILE A 101 12.671 40.883 11.795 1.00 30.56 C ATOM 605 C ILE A 101 12.428 39.454 12.251 1.00 30.43 C ATOM 606 O ILE A 101 13.365 38.680 12.412 1.00 33.18 O ATOM 607 CB ILE A 101 13.215 40.941 10.333 1.00 30.22 C ATOM 608 CG1 ILE A 101 13.477 42.389 9.918 1.00 30.24 C ATOM 609 CG2 ILE A 101 12.254 40.302 9.358 1.00 30.73 C ATOM 610 CD1 ILE A 101 12.214 43.202 9.672 1.00 29.51 C ATOM 0 H ILE A 101 14.380 41.006 12.752 1.00 29.83 H new ATOM 0 HA ILE A 101 11.844 41.390 11.788 1.00 30.56 H new ATOM 0 HB ILE A 101 14.047 40.443 10.313 1.00 30.22 H new ATOM 0 HG12 ILE A 101 14.001 42.824 10.609 1.00 30.24 H new ATOM 0 HG13 ILE A 101 14.015 42.392 9.111 1.00 30.24 H new ATOM 0 HG21 ILE A 101 12.620 40.354 8.461 1.00 30.73 H new ATOM 0 HG22 ILE A 101 12.120 39.372 9.598 1.00 30.73 H new ATOM 0 HG23 ILE A 101 11.404 40.769 9.388 1.00 30.73 H new ATOM 0 HD11 ILE A 101 12.456 44.105 9.414 1.00 29.51 H new ATOM 0 HD12 ILE A 101 11.697 42.790 8.962 1.00 29.51 H new ATOM 0 HD13 ILE A 101 11.683 43.229 10.483 1.00 29.51 H new ATOM 611 N TRP A 102 11.177 39.133 12.543 1.00 29.40 N ATOM 612 CA TRP A 102 10.783 37.778 12.866 1.00 31.54 C ATOM 613 C TRP A 102 9.867 37.252 11.781 1.00 31.98 C ATOM 614 O TRP A 102 9.526 37.965 10.838 1.00 31.12 O ATOM 615 CB TRP A 102 10.044 37.717 14.210 1.00 32.57 C ATOM 616 CG TRP A 102 10.860 38.164 15.393 1.00 32.44 C ATOM 617 CD1 TRP A 102 12.220 38.342 15.445 1.00 33.74 C ATOM 618 CD2 TRP A 102 10.364 38.473 16.706 1.00 31.60 C ATOM 619 NE1 TRP A 102 12.591 38.756 16.710 1.00 32.37 N ATOM 620 CE2 TRP A 102 11.472 38.842 17.499 1.00 32.43 C ATOM 621 CE3 TRP A 102 9.090 38.478 17.286 1.00 31.54 C ATOM 622 CZ2 TRP A 102 11.342 39.204 18.846 1.00 34.14 C ATOM 623 CZ3 TRP A 102 8.968 38.842 18.629 1.00 32.24 C ATOM 624 CH2 TRP A 102 10.085 39.199 19.385 1.00 31.43 C ATOM 0 H TRP A 102 10.531 39.700 12.559 1.00 29.40 H new ATOM 0 HA TRP A 102 11.586 37.237 12.929 1.00 31.54 H new ATOM 0 HB2 TRP A 102 9.248 38.269 14.154 1.00 32.57 H new ATOM 0 HB3 TRP A 102 9.747 36.806 14.362 1.00 32.57 H new ATOM 0 HD1 TRP A 102 12.805 38.204 14.735 1.00 33.74 H new ATOM 0 HE1 TRP A 102 13.394 38.932 16.962 1.00 32.37 H new ATOM 0 HE3 TRP A 102 8.341 38.244 16.788 1.00 31.54 H new ATOM 0 HZ2 TRP A 102 12.084 39.439 19.355 1.00 34.14 H new ATOM 0 HZ3 TRP A 102 8.127 38.846 19.026 1.00 32.24 H new ATOM 0 HH2 TRP A 102 9.972 39.439 20.276 1.00 31.43 H new ATOM 625 N ARG A 103 9.458 36.003 11.937 1.00 32.40 N ATOM 626 CA ARG A 103 8.594 35.350 10.986 1.00 35.17 C ATOM 627 C ARG A 103 7.483 34.633 11.739 1.00 33.69 C ATOM 628 O ARG A 103 7.736 34.055 12.792 1.00 34.65 O ATOM 629 CB ARG A 103 9.417 34.341 10.188 1.00 38.48 C ATOM 630 CG ARG A 103 8.807 33.922 8.880 1.00 39.51 C ATOM 631 CD ARG A 103 9.706 32.925 8.150 1.00 40.84 C ATOM 632 NE ARG A 103 9.908 31.742 8.971 1.00 43.17 N ATOM 633 CZ ARG A 103 9.076 30.709 8.980 1.00 43.08 C ATOM 634 NH1 ARG A 103 8.014 30.719 8.186 1.00 44.97 N ATOM 635 NH2 ARG A 103 9.310 29.668 9.769 1.00 43.61 N ATOM 0 H ARG A 103 9.679 35.510 12.606 1.00 32.40 H new ATOM 0 HA ARG A 103 8.203 36.000 10.381 1.00 35.17 H new ATOM 0 HB2 ARG A 103 10.292 34.722 10.015 1.00 38.48 H new ATOM 0 HB3 ARG A 103 9.554 33.551 10.734 1.00 38.48 H new ATOM 0 HG2 ARG A 103 7.937 33.523 9.038 1.00 39.51 H new ATOM 0 HG3 ARG A 103 8.664 34.702 8.322 1.00 39.51 H new ATOM 0 HD2 ARG A 103 9.304 32.675 7.303 1.00 40.84 H new ATOM 0 HD3 ARG A 103 10.561 33.337 7.947 1.00 40.84 H new ATOM 0 HE ARG A 103 10.603 31.710 9.477 1.00 43.17 H new ATOM 0 HH11 ARG A 103 7.869 31.392 7.670 1.00 44.97 H new ATOM 0 HH12 ARG A 103 7.470 30.053 8.187 1.00 44.97 H new ATOM 0 HH21 ARG A 103 10.004 29.661 10.277 1.00 43.61 H new ATOM 0 HH22 ARG A 103 8.768 29.000 9.772 1.00 43.61 H new ATOM 636 N TYR A 104 6.264 34.679 11.203 1.00 31.63 N ATOM 637 CA TYR A 104 5.135 33.936 11.746 1.00 34.18 C ATOM 638 C TYR A 104 5.258 32.473 11.343 1.00 37.19 C ATOM 639 O TYR A 104 5.579 32.168 10.200 1.00 38.40 O ATOM 640 CB TYR A 104 3.813 34.525 11.244 1.00 35.49 C ATOM 641 CG TYR A 104 2.558 33.719 11.564 1.00 36.10 C ATOM 642 CD1 TYR A 104 2.180 33.454 12.879 1.00 38.18 C ATOM 643 CD2 TYR A 104 1.728 33.261 10.550 1.00 39.48 C ATOM 644 CE1 TYR A 104 1.020 32.729 13.168 1.00 38.38 C ATOM 645 CE2 TYR A 104 0.562 32.540 10.831 1.00 39.08 C ATOM 646 CZ TYR A 104 0.217 32.277 12.141 1.00 40.37 C ATOM 647 OH TYR A 104 -0.936 31.564 12.418 1.00 40.28 O ATOM 0 H TYR A 104 6.070 35.147 10.508 1.00 31.63 H new ATOM 0 HA TYR A 104 5.142 34.003 12.714 1.00 34.18 H new ATOM 0 HB2 TYR A 104 3.711 35.413 11.621 1.00 35.49 H new ATOM 0 HB3 TYR A 104 3.871 34.631 10.282 1.00 35.49 H new ATOM 0 HD1 TYR A 104 2.709 33.765 13.577 1.00 38.18 H new ATOM 0 HD2 TYR A 104 1.952 33.437 9.665 1.00 39.48 H new ATOM 0 HE1 TYR A 104 0.790 32.552 14.051 1.00 38.38 H new ATOM 0 HE2 TYR A 104 0.021 32.239 10.137 1.00 39.08 H new ATOM 0 HH TYR A 104 -1.247 31.810 13.158 1.00 40.28 H new ATOM 648 N THR A 105 5.008 31.572 12.288 1.00 37.00 N ATOM 649 CA THR A 105 5.203 30.146 12.065 1.00 38.64 C ATOM 650 C THR A 105 3.903 29.354 12.141 1.00 38.06 C ATOM 651 O THR A 105 3.920 28.133 12.065 1.00 42.35 O ATOM 652 CB THR A 105 6.164 29.550 13.115 1.00 39.46 C ATOM 653 OG1 THR A 105 5.498 29.480 14.381 1.00 41.39 O ATOM 654 CG2 THR A 105 7.395 30.406 13.265 1.00 37.28 C ATOM 0 H THR A 105 4.721 31.771 13.074 1.00 37.00 H new ATOM 0 HA THR A 105 5.572 30.072 11.171 1.00 38.64 H new ATOM 0 HB THR A 105 6.429 28.665 12.819 1.00 39.46 H new ATOM 0 HG1 THR A 105 6.019 29.155 14.954 1.00 41.39 H new ATOM 0 HG21 THR A 105 7.984 30.013 13.929 1.00 37.28 H new ATOM 0 HG22 THR A 105 7.858 30.460 12.414 1.00 37.28 H new ATOM 0 HG23 THR A 105 7.137 31.297 13.549 1.00 37.28 H new ATOM 655 N GLY A 106 2.778 30.036 12.305 1.00 39.94 N ATOM 656 CA GLY A 106 1.504 29.357 12.503 1.00 41.14 C ATOM 657 C GLY A 106 0.776 29.033 11.215 1.00 42.81 C ATOM 658 O GLY A 106 1.261 29.349 10.132 1.00 43.37 O ATOM 0 H GLY A 106 2.730 30.895 12.305 1.00 39.94 H new ATOM 0 HA2 GLY A 106 1.659 28.534 12.993 1.00 41.14 H new ATOM 0 HA3 GLY A 106 0.933 29.913 13.056 1.00 41.14 H new ATOM 659 N ALA A 107 -0.398 28.414 11.327 1.00 47.01 N ATOM 660 CA ALA A 107 -1.174 28.041 10.136 1.00 47.18 C ATOM 661 C ALA A 107 -2.391 28.933 9.852 1.00 47.99 C ATOM 662 O ALA A 107 -2.841 29.025 8.701 1.00 52.25 O ATOM 663 CB ALA A 107 -1.589 26.571 10.200 1.00 46.48 C ATOM 0 H ALA A 107 -0.764 28.201 12.076 1.00 47.01 H new ATOM 0 HA ALA A 107 -0.573 28.183 9.388 1.00 47.18 H new ATOM 0 HB1 ALA A 107 -2.099 26.344 9.407 1.00 46.48 H new ATOM 0 HB2 ALA A 107 -0.797 26.013 10.245 1.00 46.48 H new ATOM 0 HB3 ALA A 107 -2.134 26.423 10.988 1.00 46.48 H new ATOM 664 N ASN A 108 -2.928 29.579 10.886 1.00 45.82 N ATOM 665 CA ASN A 108 -4.097 30.446 10.714 1.00 44.93 C ATOM 666 C ASN A 108 -3.764 31.935 10.773 1.00 42.80 C ATOM 667 O ASN A 108 -3.920 32.600 11.799 1.00 44.15 O ATOM 668 CB ASN A 108 -5.208 30.111 11.707 1.00 49.28 C ATOM 669 CG ASN A 108 -6.527 30.779 11.345 1.00 48.37 C ATOM 670 OD1 ASN A 108 -7.567 30.488 12.118 1.00 45.76 O flip ATOM 671 ND2 ASN A 108 -6.610 31.541 10.380 1.00 54.29 N flip ATOM 0 H ASN A 108 -2.633 29.530 11.692 1.00 45.82 H new ATOM 0 HA ASN A 108 -4.418 30.263 9.817 1.00 44.93 H new ATOM 0 HB2 ASN A 108 -5.332 29.150 11.738 1.00 49.28 H new ATOM 0 HB3 ASN A 108 -4.939 30.391 12.596 1.00 49.28 H new ATOM 0 HD21 ASN A 108 -5.915 31.706 9.902 1.00 54.29 H new ATOM 0 HD22 ASN A 108 -7.363 31.908 10.185 1.00 54.29 H new ATOM 672 N SER A 109 -3.319 32.436 9.634 1.00 44.11 N ATOM 673 CA SER A 109 -2.876 33.803 9.466 1.00 43.59 C ATOM 674 C SER A 109 -3.935 34.835 9.852 1.00 40.96 C ATOM 675 O SER A 109 -3.620 35.814 10.519 1.00 40.12 O ATOM 676 CB SER A 109 -2.445 33.997 8.012 1.00 43.32 C ATOM 677 OG SER A 109 -1.876 35.269 7.815 1.00 47.45 O ATOM 0 H SER A 109 -3.265 31.971 8.912 1.00 44.11 H new ATOM 0 HA SER A 109 -2.132 33.951 10.070 1.00 43.59 H new ATOM 0 HB2 SER A 109 -1.803 33.312 7.768 1.00 43.32 H new ATOM 0 HB3 SER A 109 -3.212 33.889 7.428 1.00 43.32 H new ATOM 0 HG SER A 109 -1.646 35.352 7.011 1.00 47.45 H new ATOM 678 N ARG A 110 -5.173 34.629 9.412 1.00 41.47 N ATOM 679 CA ARG A 110 -6.268 35.525 9.760 1.00 42.13 C ATOM 680 C ARG A 110 -6.426 35.643 11.267 1.00 42.80 C ATOM 681 O ARG A 110 -6.553 36.745 11.809 1.00 39.33 O ATOM 682 CB ARG A 110 -7.586 35.031 9.163 1.00 45.51 C ATOM 683 CG ARG A 110 -7.712 35.251 7.667 1.00 46.14 C ATOM 684 CD ARG A 110 -7.708 36.730 7.313 1.00 42.97 C ATOM 685 NE ARG A 110 -8.612 37.508 8.155 1.00 45.50 N ATOM 686 CZ ARG A 110 -9.926 37.593 7.970 1.00 46.96 C ATOM 687 NH1 ARG A 110 -10.502 36.938 6.966 1.00 51.05 N ATOM 688 NH2 ARG A 110 -10.664 38.333 8.789 1.00 45.52 N ATOM 0 H ARG A 110 -5.400 33.971 8.907 1.00 41.47 H new ATOM 0 HA ARG A 110 -6.051 36.396 9.393 1.00 42.13 H new ATOM 0 HB2 ARG A 110 -7.679 34.084 9.349 1.00 45.51 H new ATOM 0 HB3 ARG A 110 -8.320 35.481 9.609 1.00 45.51 H new ATOM 0 HG2 ARG A 110 -6.979 34.807 7.212 1.00 46.14 H new ATOM 0 HG3 ARG A 110 -8.533 34.844 7.348 1.00 46.14 H new ATOM 0 HD2 ARG A 110 -6.807 37.079 7.402 1.00 42.97 H new ATOM 0 HD3 ARG A 110 -7.963 36.838 6.383 1.00 42.97 H new ATOM 0 HE ARG A 110 -8.271 37.941 8.816 1.00 45.50 H new ATOM 0 HH11 ARG A 110 -10.024 36.459 6.435 1.00 51.05 H new ATOM 0 HH12 ARG A 110 -11.352 36.994 6.848 1.00 51.05 H new ATOM 0 HH21 ARG A 110 -10.292 38.757 9.438 1.00 45.52 H new ATOM 0 HH22 ARG A 110 -11.514 38.389 8.670 1.00 45.52 H new ATOM 689 N ASN A 111 -6.429 34.502 11.945 1.00 44.34 N ATOM 690 CA ASN A 111 -6.597 34.500 13.387 1.00 42.04 C ATOM 691 C ASN A 111 -5.409 35.153 14.075 1.00 39.88 C ATOM 692 O ASN A 111 -5.564 35.860 15.067 1.00 36.89 O ATOM 693 CB ASN A 111 -6.837 33.080 13.912 1.00 46.06 C ATOM 694 CG ASN A 111 -8.279 32.611 13.700 1.00 51.09 C ATOM 695 OD1 ASN A 111 -8.643 31.505 14.347 1.00 53.37 O flip ATOM 696 ND2 ASN A 111 -9.053 33.235 12.962 1.00 52.41 N flip ATOM 0 H ASN A 111 -6.336 33.724 11.590 1.00 44.34 H new ATOM 0 HA ASN A 111 -7.384 35.026 13.598 1.00 42.04 H new ATOM 0 HB2 ASN A 111 -6.232 32.467 13.466 1.00 46.06 H new ATOM 0 HB3 ASN A 111 -6.626 33.048 14.858 1.00 46.06 H new ATOM 0 HD21 ASN A 111 -8.784 33.946 12.560 1.00 52.41 H new ATOM 0 HD22 ASN A 111 -9.860 32.958 12.852 1.00 52.41 H new ATOM 697 N PHE A 112 -4.222 34.934 13.527 1.00 38.45 N ATOM 698 CA PHE A 112 -3.017 35.556 14.064 1.00 35.45 C ATOM 699 C PHE A 112 -3.081 37.089 14.036 1.00 34.14 C ATOM 700 O PHE A 112 -2.822 37.754 15.036 1.00 33.06 O ATOM 701 CB PHE A 112 -1.790 35.057 13.304 1.00 36.22 C ATOM 702 CG PHE A 112 -0.517 35.746 13.692 1.00 36.71 C ATOM 703 CD1 PHE A 112 0.034 35.559 14.953 1.00 38.07 C ATOM 704 CD2 PHE A 112 0.134 36.580 12.798 1.00 36.46 C ATOM 705 CE1 PHE A 112 1.222 36.194 15.309 1.00 36.12 C ATOM 706 CE2 PHE A 112 1.317 37.219 13.143 1.00 34.98 C ATOM 707 CZ PHE A 112 1.861 37.027 14.397 1.00 37.40 C ATOM 0 H PHE A 112 -4.091 34.429 12.844 1.00 38.45 H new ATOM 0 HA PHE A 112 -2.949 35.297 14.996 1.00 35.45 H new ATOM 0 HB2 PHE A 112 -1.691 34.104 13.456 1.00 36.22 H new ATOM 0 HB3 PHE A 112 -1.937 35.179 12.353 1.00 36.22 H new ATOM 0 HD1 PHE A 112 -0.394 35.005 15.565 1.00 38.07 H new ATOM 0 HD2 PHE A 112 -0.228 36.714 11.952 1.00 36.46 H new ATOM 0 HE1 PHE A 112 1.587 36.061 16.154 1.00 36.12 H new ATOM 0 HE2 PHE A 112 1.742 37.775 12.531 1.00 34.98 H new ATOM 0 HZ PHE A 112 2.653 37.454 14.632 1.00 37.40 H new HETATM 708 N MSE A 113 -3.430 37.650 12.888 1.00 34.40 N HETATM 709 CA MSE A 113 -3.510 39.096 12.744 1.00 33.45 C HETATM 710 C MSE A 113 -4.597 39.704 13.631 1.00 32.99 C HETATM 711 O MSE A 113 -4.450 40.819 14.129 1.00 31.66 O HETATM 712 CB MSE A 113 -3.730 39.471 11.270 1.00 34.09 C HETATM 713 CG MSE A 113 -2.646 38.965 10.328 1.00 33.53 C HETATM 714 SE MSE A 113 -3.067 39.253 8.395 1.00 55.55 SE HETATM 715 CE MSE A 113 -4.410 37.865 8.119 1.00 42.00 C HETATM 0 H MSE A 113 -3.626 37.209 12.176 1.00 34.40 H new HETATM 0 HA MSE A 113 -2.665 39.468 13.040 1.00 33.45 H new HETATM 0 HB2 MSE A 113 -4.586 39.118 10.981 1.00 34.09 H new HETATM 0 HB3 MSE A 113 -3.783 40.437 11.197 1.00 34.09 H new HETATM 0 HG2 MSE A 113 -1.811 39.411 10.539 1.00 33.53 H new HETATM 0 HG3 MSE A 113 -2.509 38.017 10.484 1.00 33.53 H new HETATM 0 HE1 MSE A 113 -4.714 37.887 7.198 1.00 42.00 H new HETATM 0 HE2 MSE A 113 -4.022 36.997 8.310 1.00 42.00 H new HETATM 0 HE3 MSE A 113 -5.162 38.020 8.711 1.00 42.00 H new ATOM 716 N LYS A 114 -5.676 38.956 13.843 1.00 32.28 N ATOM 717 CA LYS A 114 -6.777 39.429 14.670 1.00 35.47 C ATOM 718 C LYS A 114 -6.300 39.773 16.079 1.00 32.03 C ATOM 719 O LYS A 114 -6.700 40.794 16.619 1.00 33.46 O ATOM 720 CB LYS A 114 -7.931 38.411 14.698 1.00 37.63 C ATOM 721 CG LYS A 114 -8.654 38.301 13.358 1.00 41.70 C ATOM 722 CD LYS A 114 -9.571 37.073 13.235 1.00 46.82 C ATOM 723 CE LYS A 114 -10.186 36.998 11.833 1.00 45.33 C ATOM 724 NZ LYS A 114 -11.294 36.000 11.700 1.00 50.71 N ATOM 0 H LYS A 114 -5.789 38.169 13.515 1.00 32.28 H new ATOM 0 HA LYS A 114 -7.119 40.244 14.270 1.00 35.47 H new ATOM 0 HB2 LYS A 114 -7.583 37.540 14.946 1.00 37.63 H new ATOM 0 HB3 LYS A 114 -8.567 38.668 15.384 1.00 37.63 H new ATOM 0 HG2 LYS A 114 -9.183 39.102 13.221 1.00 41.70 H new ATOM 0 HG3 LYS A 114 -7.994 38.272 12.648 1.00 41.70 H new ATOM 0 HD2 LYS A 114 -9.065 36.266 13.415 1.00 46.82 H new ATOM 0 HD3 LYS A 114 -10.275 37.121 13.900 1.00 46.82 H new ATOM 0 HE2 LYS A 114 -10.524 37.875 11.592 1.00 45.33 H new ATOM 0 HE3 LYS A 114 -9.488 36.778 11.196 1.00 45.33 H new ATOM 0 HZ1 LYS A 114 -11.603 36.009 10.866 1.00 50.71 H new ATOM 0 HZ2 LYS A 114 -10.987 35.187 11.893 1.00 50.71 H new ATOM 0 HZ3 LYS A 114 -11.952 36.210 12.262 1.00 50.71 H new ATOM 725 N THR A 115 -5.420 38.947 16.643 1.00 33.49 N ATOM 726 CA THR A 115 -4.877 39.165 17.996 1.00 33.21 C ATOM 727 C THR A 115 -4.094 40.459 18.145 1.00 33.60 C ATOM 728 O THR A 115 -3.840 40.915 19.263 1.00 30.28 O ATOM 729 CB THR A 115 -3.934 38.027 18.432 1.00 35.57 C ATOM 730 OG1 THR A 115 -2.740 38.061 17.643 1.00 35.83 O ATOM 731 CG2 THR A 115 -4.600 36.670 18.281 1.00 33.42 C ATOM 0 H THR A 115 -5.117 38.242 16.255 1.00 33.49 H new ATOM 0 HA THR A 115 -5.668 39.201 18.556 1.00 33.21 H new ATOM 0 HB THR A 115 -3.717 38.158 19.368 1.00 35.57 H new ATOM 0 HG1 THR A 115 -2.941 38.029 16.828 1.00 35.83 H new ATOM 0 HG21 THR A 115 -3.985 35.974 18.562 1.00 33.42 H new ATOM 0 HG22 THR A 115 -5.398 36.638 18.832 1.00 33.42 H new ATOM 0 HG23 THR A 115 -4.843 36.530 17.352 1.00 33.42 H new ATOM 732 N TYR A 116 -3.683 41.026 17.012 1.00 31.95 N ATOM 733 CA TYR A 116 -2.975 42.300 16.978 1.00 32.06 C ATOM 734 C TYR A 116 -3.911 43.463 16.691 1.00 30.58 C ATOM 735 O TYR A 116 -3.490 44.613 16.681 1.00 32.35 O ATOM 736 CB TYR A 116 -1.860 42.279 15.927 1.00 31.21 C ATOM 737 CG TYR A 116 -0.673 41.473 16.360 1.00 31.60 C ATOM 738 CD1 TYR A 116 -0.673 40.091 16.244 1.00 34.58 C ATOM 739 CD2 TYR A 116 0.446 42.086 16.902 1.00 35.08 C ATOM 740 CE1 TYR A 116 0.418 39.334 16.655 1.00 36.29 C ATOM 741 CE2 TYR A 116 1.552 41.337 17.313 1.00 35.67 C ATOM 742 CZ TYR A 116 1.527 39.962 17.183 1.00 37.68 C ATOM 743 OH TYR A 116 2.603 39.211 17.595 1.00 36.54 O ATOM 0 H TYR A 116 -3.809 40.677 16.236 1.00 31.95 H new ATOM 0 HA TYR A 116 -2.588 42.427 17.859 1.00 32.06 H new ATOM 0 HB2 TYR A 116 -2.209 41.915 15.098 1.00 31.21 H new ATOM 0 HB3 TYR A 116 -1.578 43.188 15.741 1.00 31.21 H new ATOM 0 HD1 TYR A 116 -1.416 39.663 15.885 1.00 34.58 H new ATOM 0 HD2 TYR A 116 0.461 43.011 16.994 1.00 35.08 H new ATOM 0 HE1 TYR A 116 0.400 38.408 16.574 1.00 36.29 H new ATOM 0 HE2 TYR A 116 2.298 41.761 17.671 1.00 35.67 H new ATOM 0 HH TYR A 116 3.307 39.661 17.511 1.00 36.54 H new ATOM 744 N GLY A 117 -5.182 43.165 16.468 1.00 29.98 N ATOM 745 CA GLY A 117 -6.157 44.204 16.199 1.00 30.35 C ATOM 746 C GLY A 117 -6.472 44.321 14.717 1.00 31.84 C ATOM 747 O GLY A 117 -7.305 45.136 14.327 1.00 31.03 O ATOM 0 H GLY A 117 -5.499 42.366 16.468 1.00 29.98 H new ATOM 0 HA2 GLY A 117 -6.973 44.015 16.688 1.00 30.35 H new ATOM 0 HA3 GLY A 117 -5.821 45.054 16.525 1.00 30.35 H new ATOM 748 N ASN A 118 -5.805 43.494 13.906 1.00 31.43 N ATOM 749 CA ASN A 118 -5.975 43.482 12.451 1.00 29.73 C ATOM 750 C ASN A 118 -7.118 42.565 12.093 1.00 33.78 C ATOM 751 O ASN A 118 -6.908 41.396 11.792 1.00 34.51 O ATOM 752 CB ASN A 118 -4.704 42.979 11.773 1.00 29.58 C ATOM 753 CG ASN A 118 -4.754 43.104 10.248 1.00 31.57 C ATOM 754 OD1 ASN A 118 -5.747 43.538 9.677 1.00 30.45 O ATOM 755 ND2 ASN A 118 -3.670 42.725 9.599 1.00 28.67 N ATOM 0 H ASN A 118 -5.234 42.917 14.191 1.00 31.43 H new ATOM 0 HA ASN A 118 -6.161 44.385 12.148 1.00 29.73 H new ATOM 0 HB2 ASN A 118 -3.944 43.479 12.109 1.00 29.58 H new ATOM 0 HB3 ASN A 118 -4.561 42.050 12.012 1.00 29.58 H new ATOM 0 HD21 ASN A 118 -3.642 42.778 8.741 1.00 28.67 H new ATOM 0 HD22 ASN A 118 -2.991 42.425 10.034 1.00 28.67 H new ATOM 756 N THR A 119 -8.332 43.101 12.131 1.00 34.28 N ATOM 757 CA THR A 119 -9.531 42.292 12.001 1.00 35.25 C ATOM 758 C THR A 119 -9.860 41.994 10.537 1.00 37.71 C ATOM 759 O THR A 119 -10.337 40.907 10.207 1.00 38.01 O ATOM 760 CB THR A 119 -10.727 42.985 12.685 1.00 39.72 C ATOM 761 OG1 THR A 119 -11.878 42.134 12.620 1.00 45.63 O ATOM 762 CG2 THR A 119 -11.028 44.321 12.016 1.00 36.86 C ATOM 0 H THR A 119 -8.481 43.942 12.233 1.00 34.28 H new ATOM 0 HA THR A 119 -9.359 41.446 12.443 1.00 35.25 H new ATOM 0 HB THR A 119 -10.502 43.152 13.614 1.00 39.72 H new ATOM 0 HG1 THR A 119 -12.528 42.512 12.994 1.00 45.63 H new ATOM 0 HG21 THR A 119 -11.782 44.742 12.458 1.00 36.86 H new ATOM 0 HG22 THR A 119 -10.251 44.898 12.082 1.00 36.86 H new ATOM 0 HG23 THR A 119 -11.243 44.174 11.082 1.00 36.86 H new ATOM 763 N VAL A 120 -9.597 42.964 9.669 1.00 35.16 N ATOM 764 CA VAL A 120 -9.823 42.800 8.236 1.00 38.44 C ATOM 765 C VAL A 120 -8.844 41.813 7.591 1.00 38.01 C ATOM 766 O VAL A 120 -9.116 41.257 6.529 1.00 39.62 O ATOM 767 CB VAL A 120 -9.750 44.146 7.501 1.00 35.90 C ATOM 768 CG1 VAL A 120 -10.045 43.940 6.022 1.00 41.88 C ATOM 769 CG2 VAL A 120 -10.749 45.124 8.109 1.00 37.64 C ATOM 0 H VAL A 120 -9.284 43.733 9.892 1.00 35.16 H new ATOM 0 HA VAL A 120 -10.717 42.433 8.149 1.00 38.44 H new ATOM 0 HB VAL A 120 -8.858 44.515 7.595 1.00 35.90 H new ATOM 0 HG11 VAL A 120 -9.998 44.792 5.561 1.00 41.88 H new ATOM 0 HG12 VAL A 120 -9.392 43.331 5.643 1.00 41.88 H new ATOM 0 HG13 VAL A 120 -10.934 43.565 5.918 1.00 41.88 H new ATOM 0 HG21 VAL A 120 -10.698 45.972 7.641 1.00 37.64 H new ATOM 0 HG22 VAL A 120 -11.646 44.763 8.027 1.00 37.64 H new ATOM 0 HG23 VAL A 120 -10.540 45.260 9.046 1.00 37.64 H new ATOM 770 N GLY A 121 -7.709 41.581 8.239 1.00 34.35 N ATOM 771 CA GLY A 121 -6.716 40.668 7.699 1.00 35.95 C ATOM 772 C GLY A 121 -5.942 41.273 6.544 1.00 36.74 C ATOM 773 O GLY A 121 -5.671 40.603 5.550 1.00 37.53 O ATOM 0 H GLY A 121 -7.497 41.942 8.990 1.00 34.35 H new ATOM 0 HA2 GLY A 121 -6.098 40.414 8.402 1.00 35.95 H new ATOM 0 HA3 GLY A 121 -7.155 39.856 7.401 1.00 35.95 H new ATOM 774 N VAL A 122 -5.564 42.540 6.666 1.00 34.86 N ATOM 775 CA VAL A 122 -4.880 43.190 5.549 1.00 37.96 C ATOM 776 C VAL A 122 -3.444 43.590 5.887 1.00 35.17 C ATOM 777 O VAL A 122 -3.092 43.745 7.062 1.00 29.92 O ATOM 778 CB VAL A 122 -5.674 44.403 4.999 1.00 36.24 C ATOM 779 CG1 VAL A 122 -6.914 43.934 4.224 1.00 39.04 C ATOM 780 CG2 VAL A 122 -6.051 45.374 6.117 1.00 31.73 C ATOM 0 H VAL A 122 -5.687 43.030 7.362 1.00 34.86 H new ATOM 0 HA VAL A 122 -4.835 42.522 4.847 1.00 37.96 H new ATOM 0 HB VAL A 122 -5.099 44.883 4.382 1.00 36.24 H new ATOM 0 HG11 VAL A 122 -7.397 44.705 3.888 1.00 39.04 H new ATOM 0 HG12 VAL A 122 -6.639 43.376 3.480 1.00 39.04 H new ATOM 0 HG13 VAL A 122 -7.491 43.424 4.814 1.00 39.04 H new ATOM 0 HG21 VAL A 122 -6.545 46.121 5.744 1.00 31.73 H new ATOM 0 HG22 VAL A 122 -6.602 44.916 6.771 1.00 31.73 H new ATOM 0 HG23 VAL A 122 -5.245 45.702 6.546 1.00 31.73 H new ATOM 781 N LEU A 123 -2.617 43.708 4.849 1.00 30.32 N ATOM 782 CA LEU A 123 -1.254 44.220 4.967 1.00 34.45 C ATOM 783 C LEU A 123 -1.010 45.371 3.993 1.00 35.49 C ATOM 784 O LEU A 123 -1.605 45.415 2.912 1.00 38.86 O ATOM 785 CB LEU A 123 -0.218 43.115 4.755 1.00 33.89 C ATOM 786 CG LEU A 123 -0.342 41.875 5.629 1.00 35.32 C ATOM 787 CD1 LEU A 123 0.273 40.688 4.916 1.00 38.41 C ATOM 788 CD2 LEU A 123 0.284 42.078 7.021 1.00 30.13 C ATOM 0 H LEU A 123 -2.836 43.490 4.046 1.00 30.32 H new ATOM 0 HA LEU A 123 -1.153 44.557 5.871 1.00 34.45 H new ATOM 0 HB2 LEU A 123 -0.261 42.835 3.827 1.00 33.89 H new ATOM 0 HB3 LEU A 123 0.663 43.496 4.896 1.00 33.89 H new ATOM 0 HG LEU A 123 -1.285 41.703 5.777 1.00 35.32 H new ATOM 0 HD11 LEU A 123 0.193 39.898 5.474 1.00 38.41 H new ATOM 0 HD12 LEU A 123 -0.190 40.539 4.077 1.00 38.41 H new ATOM 0 HD13 LEU A 123 1.210 40.866 4.740 1.00 38.41 H new ATOM 0 HD21 LEU A 123 0.183 41.267 7.543 1.00 30.13 H new ATOM 0 HD22 LEU A 123 1.227 42.285 6.925 1.00 30.13 H new ATOM 0 HD23 LEU A 123 -0.163 42.810 7.473 1.00 30.13 H new ATOM 789 N PRO A 124 -0.154 46.326 4.393 1.00 34.46 N ATOM 790 CA PRO A 124 0.569 46.187 5.656 1.00 32.07 C ATOM 791 C PRO A 124 -0.290 46.601 6.830 1.00 29.99 C ATOM 792 O PRO A 124 -1.417 47.066 6.675 1.00 29.99 O ATOM 793 CB PRO A 124 1.668 47.223 5.510 1.00 35.10 C ATOM 794 CG PRO A 124 0.924 48.375 4.905 1.00 35.89 C ATOM 795 CD PRO A 124 -0.070 47.715 3.904 1.00 38.33 C ATOM 0 HA PRO A 124 0.862 45.276 5.815 1.00 32.07 H new ATOM 0 HB2 PRO A 124 2.066 47.455 6.364 1.00 35.10 H new ATOM 0 HB3 PRO A 124 2.387 46.913 4.937 1.00 35.10 H new ATOM 0 HG2 PRO A 124 0.455 48.887 5.582 1.00 35.89 H new ATOM 0 HG3 PRO A 124 1.526 48.986 4.453 1.00 35.89 H new ATOM 0 HD2 PRO A 124 -0.935 48.153 3.915 1.00 38.33 H new ATOM 0 HD3 PRO A 124 0.258 47.756 2.992 1.00 38.33 H new ATOM 796 N PHE A 125 0.276 46.468 8.017 1.00 25.52 N ATOM 797 CA PHE A 125 -0.452 46.752 9.225 1.00 25.69 C ATOM 798 C PHE A 125 0.593 47.064 10.290 1.00 26.09 C ATOM 799 O PHE A 125 1.482 46.265 10.543 1.00 26.54 O ATOM 800 CB PHE A 125 -1.275 45.530 9.612 1.00 26.43 C ATOM 801 CG PHE A 125 -2.087 45.722 10.875 1.00 26.61 C ATOM 802 CD1 PHE A 125 -3.337 46.305 10.819 1.00 27.63 C ATOM 803 CD2 PHE A 125 -1.589 45.327 12.105 1.00 27.29 C ATOM 804 CE1 PHE A 125 -4.092 46.481 11.970 1.00 31.72 C ATOM 805 CE2 PHE A 125 -2.327 45.502 13.255 1.00 28.64 C ATOM 806 CZ PHE A 125 -3.578 46.085 13.191 1.00 27.94 C ATOM 0 H PHE A 125 1.088 46.212 8.139 1.00 25.52 H new ATOM 0 HA PHE A 125 -1.063 47.498 9.119 1.00 25.69 H new ATOM 0 HB2 PHE A 125 -1.874 45.308 8.882 1.00 26.43 H new ATOM 0 HB3 PHE A 125 -0.680 44.773 9.731 1.00 26.43 H new ATOM 0 HD1 PHE A 125 -3.677 46.583 10.000 1.00 27.63 H new ATOM 0 HD2 PHE A 125 -0.746 44.939 12.155 1.00 27.29 H new ATOM 0 HE1 PHE A 125 -4.938 46.863 11.920 1.00 31.72 H new ATOM 0 HE2 PHE A 125 -1.983 45.228 14.074 1.00 28.64 H new ATOM 0 HZ PHE A 125 -4.074 46.211 13.968 1.00 27.94 H new ATOM 807 N THR A 126 0.516 48.245 10.875 1.00 24.86 N ATOM 808 CA THR A 126 1.460 48.617 11.913 1.00 25.63 C ATOM 809 C THR A 126 0.642 49.091 13.081 1.00 25.23 C ATOM 810 O THR A 126 -0.277 49.895 12.906 1.00 25.88 O ATOM 811 CB THR A 126 2.411 49.745 11.456 1.00 27.42 C ATOM 812 OG1 THR A 126 3.059 49.371 10.222 1.00 27.56 O ATOM 813 CG2 THR A 126 3.458 50.022 12.528 1.00 25.58 C ATOM 0 H THR A 126 -0.072 48.844 10.688 1.00 24.86 H new ATOM 0 HA THR A 126 2.018 47.856 12.138 1.00 25.63 H new ATOM 0 HB THR A 126 1.891 50.551 11.312 1.00 27.42 H new ATOM 0 HG1 THR A 126 2.504 49.403 9.593 1.00 27.56 H new ATOM 0 HG21 THR A 126 4.048 50.731 12.229 1.00 25.58 H new ATOM 0 HG22 THR A 126 3.017 50.293 13.349 1.00 25.58 H new ATOM 0 HG23 THR A 126 3.976 49.218 12.690 1.00 25.58 H new ATOM 814 N VAL A 127 0.954 48.572 14.266 1.00 22.36 N ATOM 815 CA VAL A 127 0.215 48.928 15.466 1.00 23.02 C ATOM 816 C VAL A 127 1.178 49.270 16.613 1.00 23.74 C ATOM 817 O VAL A 127 2.244 48.654 16.762 1.00 22.04 O ATOM 818 CB VAL A 127 -0.785 47.826 15.861 1.00 23.88 C ATOM 819 CG1 VAL A 127 -0.064 46.507 16.089 1.00 26.24 C ATOM 820 CG2 VAL A 127 -1.538 48.226 17.115 1.00 26.11 C ATOM 0 H VAL A 127 1.593 48.010 14.393 1.00 22.36 H new ATOM 0 HA VAL A 127 -0.308 49.722 15.275 1.00 23.02 H new ATOM 0 HB VAL A 127 -1.418 47.713 15.134 1.00 23.88 H new ATOM 0 HG11 VAL A 127 -0.708 45.825 16.337 1.00 26.24 H new ATOM 0 HG12 VAL A 127 0.391 46.241 15.274 1.00 26.24 H new ATOM 0 HG13 VAL A 127 0.586 46.612 16.802 1.00 26.24 H new ATOM 0 HG21 VAL A 127 -2.164 47.525 17.354 1.00 26.11 H new ATOM 0 HG22 VAL A 127 -0.909 48.359 17.842 1.00 26.11 H new ATOM 0 HG23 VAL A 127 -2.023 49.050 16.953 1.00 26.11 H new ATOM 821 N VAL A 128 0.798 50.286 17.379 1.00 21.41 N ATOM 822 CA VAL A 128 1.612 50.823 18.456 1.00 22.16 C ATOM 823 C VAL A 128 0.849 50.505 19.729 1.00 24.90 C ATOM 824 O VAL A 128 -0.363 50.637 19.776 1.00 22.64 O ATOM 825 CB VAL A 128 1.781 52.332 18.314 1.00 21.07 C ATOM 826 CG1 VAL A 128 2.476 52.920 19.551 1.00 24.53 C ATOM 827 CG2 VAL A 128 2.552 52.649 17.015 1.00 25.68 C ATOM 0 H VAL A 128 0.044 50.689 17.284 1.00 21.41 H new ATOM 0 HA VAL A 128 2.503 50.439 18.452 1.00 22.16 H new ATOM 0 HB VAL A 128 0.907 52.749 18.255 1.00 21.07 H new ATOM 0 HG11 VAL A 128 2.574 53.879 19.442 1.00 24.53 H new ATOM 0 HG12 VAL A 128 1.942 52.738 20.340 1.00 24.53 H new ATOM 0 HG13 VAL A 128 3.352 52.515 19.653 1.00 24.53 H new ATOM 0 HG21 VAL A 128 2.658 53.609 16.927 1.00 25.68 H new ATOM 0 HG22 VAL A 128 3.426 52.229 17.047 1.00 25.68 H new ATOM 0 HG23 VAL A 128 2.057 52.308 16.253 1.00 25.68 H new ATOM 828 N GLU A 129 1.555 50.038 20.741 1.00 19.98 N ATOM 829 CA GLU A 129 0.901 49.565 21.948 1.00 24.56 C ATOM 830 C GLU A 129 1.679 50.053 23.167 1.00 25.18 C ATOM 831 O GLU A 129 2.906 50.239 23.092 1.00 21.03 O ATOM 832 CB GLU A 129 0.898 48.040 21.946 1.00 25.47 C ATOM 833 CG GLU A 129 -0.217 47.405 21.159 1.00 32.01 C ATOM 834 CD GLU A 129 -0.291 45.905 21.393 1.00 38.06 C ATOM 835 OE1 GLU A 129 -1.057 45.483 22.286 1.00 40.67 O ATOM 836 OE2 GLU A 129 0.432 45.149 20.703 1.00 45.10 O ATOM 0 H GLU A 129 2.413 49.985 20.751 1.00 19.98 H new ATOM 0 HA GLU A 129 -0.008 49.901 21.980 1.00 24.56 H new ATOM 0 HB2 GLU A 129 1.745 47.729 21.589 1.00 25.47 H new ATOM 0 HB3 GLU A 129 0.845 47.729 22.863 1.00 25.47 H new ATOM 0 HG2 GLU A 129 -1.061 47.813 21.407 1.00 32.01 H new ATOM 0 HG3 GLU A 129 -0.085 47.579 20.214 1.00 32.01 H new ATOM 837 N ALA A 130 0.973 50.283 24.271 1.00 24.17 N ATOM 838 CA ALA A 130 1.625 50.364 25.588 1.00 24.98 C ATOM 839 C ALA A 130 0.991 49.264 26.420 1.00 27.04 C ATOM 840 O ALA A 130 -0.044 49.462 27.058 1.00 28.60 O ATOM 841 CB ALA A 130 1.450 51.728 26.219 1.00 24.71 C ATOM 0 H ALA A 130 0.120 50.395 24.285 1.00 24.17 H new ATOM 0 HA ALA A 130 2.585 50.244 25.519 1.00 24.98 H new ATOM 0 HB1 ALA A 130 1.891 51.744 27.083 1.00 24.71 H new ATOM 0 HB2 ALA A 130 1.842 52.404 25.644 1.00 24.71 H new ATOM 0 HB3 ALA A 130 0.505 51.912 26.336 1.00 24.71 H new ATOM 842 N PRO A 131 1.594 48.074 26.366 1.00 26.52 N ATOM 843 CA PRO A 131 0.970 46.815 26.776 1.00 29.84 C ATOM 844 C PRO A 131 0.620 46.787 28.261 1.00 31.47 C ATOM 845 O PRO A 131 -0.343 46.132 28.677 1.00 31.83 O ATOM 846 CB PRO A 131 2.060 45.776 26.481 1.00 32.52 C ATOM 847 CG PRO A 131 2.994 46.442 25.546 1.00 30.55 C ATOM 848 CD PRO A 131 2.975 47.877 25.902 1.00 27.27 C ATOM 0 HA PRO A 131 0.131 46.663 26.313 1.00 29.84 H new ATOM 0 HB2 PRO A 131 2.514 45.504 27.294 1.00 32.52 H new ATOM 0 HB3 PRO A 131 1.682 44.975 26.086 1.00 32.52 H new ATOM 0 HG2 PRO A 131 3.888 46.076 25.629 1.00 30.55 H new ATOM 0 HG3 PRO A 131 2.717 46.309 24.626 1.00 30.55 H new ATOM 0 HD2 PRO A 131 3.621 48.085 26.595 1.00 27.27 H new ATOM 0 HD3 PRO A 131 3.184 48.440 25.140 1.00 27.27 H new ATOM 849 N LYS A 132 1.398 47.497 29.064 1.00 32.67 N ATOM 850 CA LYS A 132 1.160 47.470 30.504 1.00 35.76 C ATOM 851 C LYS A 132 -0.106 48.235 30.806 1.00 35.40 C ATOM 852 O LYS A 132 -0.654 48.153 31.898 1.00 35.60 O ATOM 853 CB LYS A 132 2.346 48.042 31.247 1.00 34.24 C ATOM 854 CG LYS A 132 3.586 47.179 31.078 1.00 40.61 C ATOM 855 CD LYS A 132 3.308 45.739 31.502 1.00 43.27 C ATOM 856 CE LYS A 132 3.046 45.649 33.010 1.00 47.60 C ATOM 857 NZ LYS A 132 2.612 44.285 33.449 1.00 50.13 N ATOM 0 H LYS A 132 2.054 47.990 28.807 1.00 32.67 H new ATOM 0 HA LYS A 132 1.050 46.554 30.803 1.00 35.76 H new ATOM 0 HB2 LYS A 132 2.529 48.938 30.924 1.00 34.24 H new ATOM 0 HB3 LYS A 132 2.131 48.119 32.190 1.00 34.24 H new ATOM 0 HG2 LYS A 132 3.874 47.198 30.152 1.00 40.61 H new ATOM 0 HG3 LYS A 132 4.312 47.542 31.609 1.00 40.61 H new ATOM 0 HD2 LYS A 132 2.541 45.398 31.016 1.00 43.27 H new ATOM 0 HD3 LYS A 132 4.064 45.178 31.268 1.00 43.27 H new ATOM 0 HE2 LYS A 132 3.853 45.896 33.488 1.00 47.60 H new ATOM 0 HE3 LYS A 132 2.364 46.294 33.254 1.00 47.60 H new ATOM 0 HZ1 LYS A 132 2.474 44.286 34.328 1.00 50.13 H new ATOM 0 HZ2 LYS A 132 1.858 44.064 33.031 1.00 50.13 H new ATOM 0 HZ3 LYS A 132 3.246 43.693 33.250 1.00 50.13 H new ATOM 858 N CYS A 133 -0.585 48.946 29.797 1.00 33.43 N ATOM 859 CA CYS A 133 -1.783 49.750 29.922 1.00 35.35 C ATOM 860 C CYS A 133 -2.926 49.316 28.975 1.00 34.52 C ATOM 861 O CYS A 133 -4.031 49.840 29.041 1.00 35.88 O ATOM 862 CB CYS A 133 -1.403 51.207 29.695 1.00 36.01 C ATOM 863 SG CYS A 133 -2.723 52.230 29.141 1.00 52.20 S ATOM 0 H CYS A 133 -0.221 48.974 29.018 1.00 33.43 H new ATOM 0 HA CYS A 133 -2.139 49.622 30.815 1.00 35.35 H new ATOM 0 HB2 CYS A 133 -1.053 51.571 30.523 1.00 36.01 H new ATOM 0 HB3 CYS A 133 -0.685 51.244 29.044 1.00 36.01 H new ATOM 0 HG CYS A 133 -3.735 51.586 29.090 1.00 52.20 H new ATOM 864 N GLY A 134 -2.667 48.351 28.103 1.00 35.05 N ATOM 865 CA GLY A 134 -3.697 47.873 27.195 1.00 31.14 C ATOM 866 C GLY A 134 -3.950 48.787 26.010 1.00 30.93 C ATOM 867 O GLY A 134 -4.734 48.438 25.089 1.00 31.36 O ATOM 0 H GLY A 134 -1.905 47.962 28.021 1.00 35.05 H new ATOM 0 HA2 GLY A 134 -3.444 46.996 26.867 1.00 31.14 H new ATOM 0 HA3 GLY A 134 -4.525 47.763 27.689 1.00 31.14 H new ATOM 868 N TYR A 135 -3.299 49.953 26.015 1.00 27.90 N ATOM 869 CA TYR A 135 -3.453 50.910 24.918 1.00 27.74 C ATOM 870 C TYR A 135 -2.938 50.330 23.592 1.00 26.23 C ATOM 871 O TYR A 135 -1.825 49.791 23.508 1.00 21.80 O ATOM 872 CB TYR A 135 -2.772 52.240 25.245 1.00 26.44 C ATOM 873 CG TYR A 135 -2.728 53.187 24.073 1.00 28.18 C ATOM 874 CD1 TYR A 135 -1.566 53.343 23.317 1.00 27.93 C ATOM 875 CD2 TYR A 135 -3.858 53.897 23.688 1.00 30.36 C ATOM 876 CE1 TYR A 135 -1.533 54.208 22.215 1.00 28.06 C ATOM 877 CE2 TYR A 135 -3.840 54.753 22.597 1.00 29.08 C ATOM 878 CZ TYR A 135 -2.674 54.911 21.872 1.00 31.97 C ATOM 879 OH TYR A 135 -2.658 55.764 20.796 1.00 31.18 O ATOM 0 H TYR A 135 -2.767 50.207 26.641 1.00 27.90 H new ATOM 0 HA TYR A 135 -4.401 51.083 24.811 1.00 27.74 H new ATOM 0 HB2 TYR A 135 -3.241 52.665 25.980 1.00 26.44 H new ATOM 0 HB3 TYR A 135 -1.867 52.068 25.548 1.00 26.44 H new ATOM 0 HD1 TYR A 135 -0.802 52.866 23.548 1.00 27.93 H new ATOM 0 HD2 TYR A 135 -4.645 53.796 24.173 1.00 30.36 H new ATOM 0 HE1 TYR A 135 -0.752 54.308 21.720 1.00 28.06 H new ATOM 0 HE2 TYR A 135 -4.608 55.218 22.355 1.00 29.08 H new ATOM 0 HH TYR A 135 -3.390 55.714 20.388 1.00 31.18 H new ATOM 880 N ARG A 136 -3.756 50.426 22.554 1.00 25.11 N ATOM 881 CA ARG A 136 -3.374 49.879 21.251 1.00 25.22 C ATOM 882 C ARG A 136 -3.980 50.738 20.158 1.00 28.69 C ATOM 883 O ARG A 136 -5.195 50.962 20.136 1.00 22.94 O ATOM 884 CB ARG A 136 -3.838 48.431 21.140 1.00 26.57 C ATOM 885 CG ARG A 136 -3.640 47.795 19.787 1.00 27.86 C ATOM 886 CD ARG A 136 -4.813 46.847 19.505 1.00 31.75 C ATOM 887 NE ARG A 136 -4.470 45.494 19.889 1.00 32.89 N ATOM 888 CZ ARG A 136 -5.318 44.475 19.949 1.00 32.55 C ATOM 889 NH1 ARG A 136 -6.609 44.630 19.664 1.00 31.95 N ATOM 890 NH2 ARG A 136 -4.853 43.289 20.310 1.00 33.23 N ATOM 0 H ARG A 136 -4.530 50.799 22.577 1.00 25.11 H new ATOM 0 HA ARG A 136 -2.409 49.889 21.154 1.00 25.22 H new ATOM 0 HB2 ARG A 136 -3.365 47.903 21.802 1.00 26.57 H new ATOM 0 HB3 ARG A 136 -4.780 48.390 21.366 1.00 26.57 H new ATOM 0 HG2 ARG A 136 -3.588 48.478 19.100 1.00 27.86 H new ATOM 0 HG3 ARG A 136 -2.802 47.307 19.765 1.00 27.86 H new ATOM 0 HD2 ARG A 136 -5.598 47.139 19.994 1.00 31.75 H new ATOM 0 HD3 ARG A 136 -5.040 46.875 18.562 1.00 31.75 H new ATOM 0 HE ARG A 136 -3.650 45.338 20.095 1.00 32.89 H new ATOM 0 HH11 ARG A 136 -6.909 45.403 19.435 1.00 31.95 H new ATOM 0 HH12 ARG A 136 -7.143 43.957 19.709 1.00 31.95 H new ATOM 0 HH21 ARG A 136 -4.019 43.193 20.499 1.00 33.23 H new ATOM 0 HH22 ARG A 136 -5.385 42.614 20.356 1.00 33.23 H new ATOM 891 N GLN A 137 -3.138 51.256 19.269 1.00 24.42 N ATOM 892 CA GLN A 137 -3.653 52.043 18.141 1.00 25.80 C ATOM 893 C GLN A 137 -2.916 51.711 16.858 1.00 27.56 C ATOM 894 O GLN A 137 -1.684 51.739 16.805 1.00 26.38 O ATOM 895 CB GLN A 137 -3.600 53.551 18.430 1.00 28.07 C ATOM 896 CG GLN A 137 -4.164 54.445 17.302 1.00 32.46 C ATOM 897 CD GLN A 137 -4.700 55.813 17.771 1.00 37.21 C ATOM 898 OE1 GLN A 137 -4.815 56.017 19.089 1.00 41.72 O flip ATOM 899 NE2 GLN A 137 -5.014 56.666 16.943 1.00 33.01 N flip ATOM 0 H GLN A 137 -2.283 51.169 19.294 1.00 24.42 H new ATOM 0 HA GLN A 137 -4.585 51.800 18.023 1.00 25.80 H new ATOM 0 HB2 GLN A 137 -4.095 53.729 19.245 1.00 28.07 H new ATOM 0 HB3 GLN A 137 -2.678 53.804 18.596 1.00 28.07 H new ATOM 0 HG2 GLN A 137 -3.467 54.593 16.644 1.00 32.46 H new ATOM 0 HG3 GLN A 137 -4.880 53.967 16.854 1.00 32.46 H new ATOM 0 HE21 GLN A 137 -4.927 56.502 16.103 1.00 33.01 H new ATOM 0 HE22 GLN A 137 -5.320 57.426 17.204 1.00 33.01 H new ATOM 900 N THR A 138 -3.689 51.368 15.835 1.00 25.85 N ATOM 901 CA THR A 138 -3.174 51.089 14.505 1.00 29.21 C ATOM 902 C THR A 138 -2.705 52.406 13.901 1.00 31.47 C ATOM 903 O THR A 138 -3.274 53.453 14.208 1.00 33.15 O ATOM 904 CB THR A 138 -4.283 50.448 13.643 1.00 30.38 C ATOM 905 OG1 THR A 138 -4.759 49.261 14.304 1.00 29.36 O ATOM 906 CG2 THR A 138 -3.760 50.072 12.278 1.00 30.99 C ATOM 0 H THR A 138 -4.543 51.290 15.897 1.00 25.85 H new ATOM 0 HA THR A 138 -2.431 50.466 14.544 1.00 29.21 H new ATOM 0 HB THR A 138 -5.000 51.091 13.532 1.00 30.38 H new ATOM 0 HG1 THR A 138 -4.431 48.583 13.933 1.00 29.36 H new ATOM 0 HG21 THR A 138 -4.474 49.672 11.757 1.00 30.99 H new ATOM 0 HG22 THR A 138 -3.435 50.866 11.826 1.00 30.99 H new ATOM 0 HG23 THR A 138 -3.034 49.435 12.373 1.00 30.99 H new ATOM 907 N ILE A 139 -1.645 52.377 13.089 1.00 29.12 N ATOM 908 CA ILE A 139 -1.220 53.589 12.423 1.00 29.10 C ATOM 909 C ILE A 139 -1.933 53.632 11.095 1.00 35.56 C ATOM 910 O ILE A 139 -1.694 52.788 10.243 1.00 36.12 O ATOM 911 CB ILE A 139 0.308 53.681 12.216 1.00 31.97 C ATOM 912 CG1 ILE A 139 1.003 53.942 13.570 1.00 32.32 C ATOM 913 CG2 ILE A 139 0.634 54.812 11.256 1.00 32.92 C ATOM 914 CD1 ILE A 139 2.464 54.304 13.463 1.00 32.57 C ATOM 0 H ILE A 139 -1.173 51.678 12.919 1.00 29.12 H new ATOM 0 HA ILE A 139 -1.445 54.348 12.984 1.00 29.10 H new ATOM 0 HB ILE A 139 0.626 52.843 11.844 1.00 31.97 H new ATOM 0 HG12 ILE A 139 0.536 54.659 14.027 1.00 32.32 H new ATOM 0 HG13 ILE A 139 0.917 53.150 14.123 1.00 32.32 H new ATOM 0 HG21 ILE A 139 1.595 54.864 11.131 1.00 32.92 H new ATOM 0 HG22 ILE A 139 0.206 54.645 10.402 1.00 32.92 H new ATOM 0 HG23 ILE A 139 0.310 55.650 11.621 1.00 32.92 H new ATOM 0 HD11 ILE A 139 2.827 54.452 14.350 1.00 32.57 H new ATOM 0 HD12 ILE A 139 2.946 53.580 13.033 1.00 32.57 H new ATOM 0 HD13 ILE A 139 2.559 55.113 12.936 1.00 32.57 H new ATOM 915 N THR A 140 -2.845 54.592 10.948 1.00 39.89 N ATOM 916 CA THR A 140 -3.558 54.796 9.694 1.00 39.48 C ATOM 917 C THR A 140 -2.797 55.840 8.905 1.00 42.83 C ATOM 918 O THR A 140 -2.230 56.774 9.478 1.00 42.79 O ATOM 919 CB THR A 140 -5.001 55.269 9.921 1.00 43.23 C ATOM 920 OG1 THR A 140 -5.000 56.417 10.779 1.00 47.02 O ATOM 921 CG2 THR A 140 -5.824 54.167 10.571 1.00 42.86 C ATOM 0 H THR A 140 -3.066 55.141 11.572 1.00 39.89 H new ATOM 0 HA THR A 140 -3.609 53.954 9.215 1.00 39.48 H new ATOM 0 HB THR A 140 -5.392 55.495 9.062 1.00 43.23 H new ATOM 0 HG1 THR A 140 -5.790 56.676 10.902 1.00 47.02 H new ATOM 0 HG21 THR A 140 -6.732 54.479 10.708 1.00 42.86 H new ATOM 0 HG22 THR A 140 -5.834 53.387 9.994 1.00 42.86 H new ATOM 0 HG23 THR A 140 -5.431 53.931 11.426 1.00 42.86 H new ATOM 922 N GLY A 141 -2.760 55.675 7.591 1.00 42.04 N ATOM 923 CA GLY A 141 -1.971 56.564 6.768 1.00 40.78 C ATOM 924 C GLY A 141 -0.551 56.051 6.648 1.00 41.59 C ATOM 925 O GLY A 141 -0.221 54.956 7.118 1.00 39.81 O ATOM 0 H GLY A 141 -3.181 55.060 7.163 1.00 42.04 H new ATOM 0 HA2 GLY A 141 -2.370 56.638 5.887 1.00 40.78 H new ATOM 0 HA3 GLY A 141 -1.968 57.454 7.154 1.00 40.78 H new ATOM 926 N GLU A 142 0.290 56.852 6.012 1.00 38.74 N ATOM 927 CA GLU A 142 1.652 56.456 5.724 1.00 40.33 C ATOM 928 C GLU A 142 2.466 56.277 7.009 1.00 39.57 C ATOM 929 O GLU A 142 2.409 57.109 7.922 1.00 39.36 O ATOM 930 CB GLU A 142 2.311 57.500 4.828 1.00 41.42 C ATOM 931 CG GLU A 142 3.724 57.139 4.416 1.00 44.45 C ATOM 932 CD GLU A 142 4.394 58.249 3.644 1.00 47.71 C ATOM 933 OE1 GLU A 142 3.662 59.111 3.108 1.00 50.74 O ATOM 934 OE2 GLU A 142 5.645 58.260 3.577 1.00 50.52 O ATOM 0 H GLU A 142 0.085 57.640 5.736 1.00 38.74 H new ATOM 0 HA GLU A 142 1.629 55.601 5.266 1.00 40.33 H new ATOM 0 HB2 GLU A 142 1.770 57.620 4.032 1.00 41.42 H new ATOM 0 HB3 GLU A 142 2.325 58.352 5.292 1.00 41.42 H new ATOM 0 HG2 GLU A 142 4.248 56.935 5.207 1.00 44.45 H new ATOM 0 HG3 GLU A 142 3.706 56.335 3.873 1.00 44.45 H new ATOM 935 N VAL A 143 3.203 55.178 7.088 1.00 35.92 N ATOM 936 CA VAL A 143 4.123 55.014 8.199 1.00 39.11 C ATOM 937 C VAL A 143 5.406 55.741 7.849 1.00 40.48 C ATOM 938 O VAL A 143 6.175 55.291 6.992 1.00 37.69 O ATOM 939 CB VAL A 143 4.426 53.543 8.500 1.00 36.33 C ATOM 940 CG1 VAL A 143 5.575 53.444 9.473 1.00 32.80 C ATOM 941 CG2 VAL A 143 3.184 52.850 9.052 1.00 37.16 C ATOM 0 H VAL A 143 3.187 54.530 6.523 1.00 35.92 H new ATOM 0 HA VAL A 143 3.713 55.381 8.998 1.00 39.11 H new ATOM 0 HB VAL A 143 4.680 53.096 7.678 1.00 36.33 H new ATOM 0 HG11 VAL A 143 5.762 52.511 9.659 1.00 32.80 H new ATOM 0 HG12 VAL A 143 6.362 53.860 9.088 1.00 32.80 H new ATOM 0 HG13 VAL A 143 5.341 53.897 10.298 1.00 32.80 H new ATOM 0 HG21 VAL A 143 3.388 51.920 9.239 1.00 37.16 H new ATOM 0 HG22 VAL A 143 2.905 53.290 9.870 1.00 37.16 H new ATOM 0 HG23 VAL A 143 2.469 52.899 8.399 1.00 37.16 H new ATOM 942 N ASN A 144 5.610 56.885 8.489 1.00 36.85 N ATOM 943 CA ASN A 144 6.840 57.644 8.320 1.00 38.34 C ATOM 944 C ASN A 144 7.329 58.195 9.650 1.00 39.27 C ATOM 945 O ASN A 144 6.778 57.889 10.709 1.00 35.61 O ATOM 946 CB ASN A 144 6.639 58.787 7.327 1.00 39.58 C ATOM 947 CG ASN A 144 5.447 59.653 7.674 1.00 41.44 C ATOM 948 OD1 ASN A 144 5.267 60.059 8.822 1.00 42.55 O ATOM 949 ND2 ASN A 144 4.623 59.937 6.684 1.00 42.28 N ATOM 0 H ASN A 144 5.044 57.241 9.030 1.00 36.85 H new ATOM 0 HA ASN A 144 7.513 57.039 7.970 1.00 38.34 H new ATOM 0 HB2 ASN A 144 7.438 59.336 7.304 1.00 39.58 H new ATOM 0 HB3 ASN A 144 6.521 58.421 6.437 1.00 39.58 H new ATOM 0 HD21 ASN A 144 3.929 60.423 6.829 1.00 42.28 H new ATOM 0 HD22 ASN A 144 4.780 59.636 5.894 1.00 42.28 H new ATOM 950 N GLU A 145 8.365 59.019 9.578 1.00 39.42 N ATOM 951 CA GLU A 145 9.017 59.559 10.757 1.00 38.60 C ATOM 952 C GLU A 145 8.069 60.373 11.644 1.00 38.41 C ATOM 953 O GLU A 145 8.082 60.241 12.871 1.00 36.14 O ATOM 954 CB GLU A 145 10.219 60.407 10.322 1.00 42.81 C ATOM 955 CG GLU A 145 11.289 59.627 9.554 1.00 41.63 C ATOM 956 CD GLU A 145 11.103 59.634 8.034 1.00 47.85 C ATOM 957 OE1 GLU A 145 12.134 59.542 7.328 1.00 50.27 O ATOM 958 OE2 GLU A 145 9.949 59.722 7.533 1.00 47.36 O ATOM 0 H GLU A 145 8.711 59.282 8.836 1.00 39.42 H new ATOM 0 HA GLU A 145 9.315 58.812 11.299 1.00 38.60 H new ATOM 0 HB2 GLU A 145 9.903 61.137 9.767 1.00 42.81 H new ATOM 0 HB3 GLU A 145 10.624 60.804 11.109 1.00 42.81 H new ATOM 0 HG2 GLU A 145 12.160 59.999 9.765 1.00 41.63 H new ATOM 0 HG3 GLU A 145 11.291 58.708 9.865 1.00 41.63 H new ATOM 959 N LYS A 146 7.248 61.215 11.026 1.00 36.38 N ATOM 960 CA LYS A 146 6.337 62.052 11.793 1.00 38.50 C ATOM 961 C LYS A 146 5.213 61.207 12.372 1.00 36.62 C ATOM 962 O LYS A 146 4.726 61.455 13.479 1.00 37.05 O ATOM 963 CB LYS A 146 5.762 63.159 10.916 1.00 38.46 C ATOM 964 CG LYS A 146 4.738 64.031 11.611 1.00 40.26 C ATOM 965 CD LYS A 146 3.593 64.362 10.653 1.00 42.83 C ATOM 966 CE LYS A 146 2.875 65.629 11.057 1.00 44.22 C ATOM 967 NZ LYS A 146 2.709 65.719 12.534 1.00 44.03 N ATOM 0 H LYS A 146 7.203 61.316 10.173 1.00 36.38 H new ATOM 0 HA LYS A 146 6.832 62.460 12.521 1.00 38.50 H new ATOM 0 HB2 LYS A 146 6.489 63.719 10.601 1.00 38.46 H new ATOM 0 HB3 LYS A 146 5.353 62.758 10.133 1.00 38.46 H new ATOM 0 HG2 LYS A 146 4.392 63.575 12.394 1.00 40.26 H new ATOM 0 HG3 LYS A 146 5.157 64.849 11.921 1.00 40.26 H new ATOM 0 HD2 LYS A 146 3.942 64.460 9.753 1.00 42.83 H new ATOM 0 HD3 LYS A 146 2.963 63.625 10.634 1.00 42.83 H new ATOM 0 HE2 LYS A 146 3.372 66.399 10.739 1.00 44.22 H new ATOM 0 HE3 LYS A 146 2.004 65.658 10.631 1.00 44.22 H new ATOM 0 HZ1 LYS A 146 2.001 66.224 12.723 1.00 44.03 H new ATOM 0 HZ2 LYS A 146 2.589 64.904 12.870 1.00 44.03 H new ATOM 0 HZ3 LYS A 146 3.437 66.083 12.893 1.00 44.03 H new ATOM 968 N SER A 147 4.809 60.201 11.610 1.00 37.12 N ATOM 969 CA SER A 147 3.743 59.305 12.012 1.00 36.16 C ATOM 970 C SER A 147 4.166 58.470 13.229 1.00 34.90 C ATOM 971 O SER A 147 3.424 58.343 14.208 1.00 32.57 O ATOM 972 CB SER A 147 3.395 58.392 10.851 1.00 37.10 C ATOM 973 OG SER A 147 2.258 57.623 11.172 1.00 41.32 O ATOM 0 H SER A 147 5.149 60.020 10.841 1.00 37.12 H new ATOM 0 HA SER A 147 2.966 59.829 12.260 1.00 36.16 H new ATOM 0 HB2 SER A 147 3.225 58.919 10.054 1.00 37.10 H new ATOM 0 HB3 SER A 147 4.144 57.809 10.651 1.00 37.10 H new ATOM 0 HG SER A 147 2.068 57.120 10.526 1.00 41.32 H new ATOM 974 N LEU A 148 5.363 57.903 13.155 1.00 33.54 N ATOM 975 CA LEU A 148 5.886 57.074 14.230 1.00 31.69 C ATOM 976 C LEU A 148 6.098 57.901 15.480 1.00 29.00 C ATOM 977 O LEU A 148 5.664 57.516 16.554 1.00 30.04 O ATOM 978 CB LEU A 148 7.195 56.412 13.806 1.00 30.62 C ATOM 979 CG LEU A 148 7.076 55.327 12.737 1.00 31.44 C ATOM 980 CD1 LEU A 148 8.444 55.010 12.126 1.00 33.09 C ATOM 981 CD2 LEU A 148 6.435 54.081 13.312 1.00 29.11 C ATOM 0 H LEU A 148 5.893 57.988 12.483 1.00 33.54 H new ATOM 0 HA LEU A 148 5.237 56.380 14.424 1.00 31.69 H new ATOM 0 HB2 LEU A 148 7.795 57.101 13.479 1.00 30.62 H new ATOM 0 HB3 LEU A 148 7.611 56.024 14.592 1.00 30.62 H new ATOM 0 HG LEU A 148 6.505 55.660 12.028 1.00 31.44 H new ATOM 0 HD11 LEU A 148 8.345 54.320 11.451 1.00 33.09 H new ATOM 0 HD12 LEU A 148 8.810 55.811 11.718 1.00 33.09 H new ATOM 0 HD13 LEU A 148 9.045 54.698 12.821 1.00 33.09 H new ATOM 0 HD21 LEU A 148 6.367 53.403 12.621 1.00 29.11 H new ATOM 0 HD22 LEU A 148 6.978 53.745 14.042 1.00 29.11 H new ATOM 0 HD23 LEU A 148 5.548 54.296 13.642 1.00 29.11 H new ATOM 982 N THR A 149 6.768 59.039 15.337 1.00 31.52 N ATOM 983 CA THR A 149 7.045 59.914 16.477 1.00 32.61 C ATOM 984 C THR A 149 5.774 60.309 17.226 1.00 31.83 C ATOM 985 O THR A 149 5.721 60.248 18.455 1.00 31.34 O ATOM 986 CB THR A 149 7.794 61.199 16.041 1.00 34.29 C ATOM 987 OG1 THR A 149 9.105 60.857 15.578 1.00 37.83 O ATOM 988 CG2 THR A 149 7.925 62.179 17.216 1.00 38.46 C ATOM 0 H THR A 149 7.073 59.326 14.586 1.00 31.52 H new ATOM 0 HA THR A 149 7.610 59.400 17.075 1.00 32.61 H new ATOM 0 HB THR A 149 7.286 61.621 15.331 1.00 34.29 H new ATOM 0 HG1 THR A 149 9.067 60.629 14.770 1.00 37.83 H new ATOM 0 HG21 THR A 149 8.396 62.975 16.923 1.00 38.46 H new ATOM 0 HG22 THR A 149 7.042 62.424 17.533 1.00 38.46 H new ATOM 0 HG23 THR A 149 8.421 61.757 17.935 1.00 38.46 H new ATOM 989 N ASP A 150 4.745 60.705 16.487 1.00 32.52 N ATOM 990 CA ASP A 150 3.475 61.104 17.103 1.00 33.16 C ATOM 991 C ASP A 150 2.756 59.941 17.780 1.00 32.19 C ATOM 992 O ASP A 150 2.207 60.087 18.881 1.00 29.05 O ATOM 993 CB ASP A 150 2.535 61.734 16.070 1.00 33.25 C ATOM 994 CG ASP A 150 3.066 63.044 15.509 1.00 38.34 C ATOM 995 OD1 ASP A 150 3.956 63.645 16.139 1.00 41.19 O ATOM 996 OD2 ASP A 150 2.592 63.473 14.436 1.00 39.86 O ATOM 0 H ASP A 150 4.757 60.751 15.628 1.00 32.52 H new ATOM 0 HA ASP A 150 3.704 61.756 17.784 1.00 33.16 H new ATOM 0 HB2 ASP A 150 2.396 61.108 15.342 1.00 33.25 H new ATOM 0 HB3 ASP A 150 1.670 61.890 16.479 1.00 33.25 H new ATOM 997 N ALA A 151 2.732 58.796 17.108 1.00 29.24 N ATOM 998 CA ALA A 151 2.054 57.626 17.650 1.00 28.82 C ATOM 999 C ALA A 151 2.705 57.174 18.951 1.00 28.48 C ATOM 1000 O ALA A 151 2.029 56.788 19.900 1.00 29.04 O ATOM 1001 CB ALA A 151 2.062 56.499 16.645 1.00 28.44 C ATOM 0 H ALA A 151 3.100 58.676 16.340 1.00 29.24 H new ATOM 0 HA ALA A 151 1.135 57.872 17.838 1.00 28.82 H new ATOM 0 HB1 ALA A 151 1.608 55.728 17.019 1.00 28.44 H new ATOM 0 HB2 ALA A 151 1.605 56.782 15.837 1.00 28.44 H new ATOM 0 HB3 ALA A 151 2.978 56.262 16.432 1.00 28.44 H new ATOM 1002 N VAL A 152 4.030 57.212 18.978 1.00 29.03 N ATOM 1003 CA VAL A 152 4.777 56.720 20.119 1.00 27.28 C ATOM 1004 C VAL A 152 4.593 57.664 21.301 1.00 29.81 C ATOM 1005 O VAL A 152 4.359 57.218 22.417 1.00 29.13 O ATOM 1006 CB VAL A 152 6.271 56.515 19.770 1.00 26.56 C ATOM 1007 CG1 VAL A 152 7.129 56.521 21.030 1.00 28.49 C ATOM 1008 CG2 VAL A 152 6.434 55.193 19.034 1.00 26.92 C ATOM 0 H VAL A 152 4.516 57.522 18.340 1.00 29.03 H new ATOM 0 HA VAL A 152 4.430 55.849 20.369 1.00 27.28 H new ATOM 0 HB VAL A 152 6.565 57.245 19.203 1.00 26.56 H new ATOM 0 HG11 VAL A 152 8.060 56.391 20.789 1.00 28.49 H new ATOM 0 HG12 VAL A 152 7.029 57.371 21.486 1.00 28.49 H new ATOM 0 HG13 VAL A 152 6.845 55.804 21.618 1.00 28.49 H new ATOM 0 HG21 VAL A 152 7.369 55.059 18.812 1.00 26.92 H new ATOM 0 HG22 VAL A 152 6.129 54.467 19.601 1.00 26.92 H new ATOM 0 HG23 VAL A 152 5.908 55.209 18.219 1.00 26.92 H new ATOM 1009 N LYS A 153 4.694 58.963 21.036 1.00 30.36 N ATOM 1010 CA LYS A 153 4.470 59.968 22.051 1.00 30.61 C ATOM 1011 C LYS A 153 3.076 59.850 22.640 1.00 31.18 C ATOM 1012 O LYS A 153 2.897 60.032 23.830 1.00 31.95 O ATOM 1013 CB LYS A 153 4.661 61.368 21.482 1.00 32.37 C ATOM 1014 CG LYS A 153 4.671 62.439 22.563 1.00 35.11 C ATOM 1015 CD LYS A 153 5.054 63.802 21.997 1.00 40.42 C ATOM 1016 CE LYS A 153 5.190 64.853 23.094 1.00 39.38 C ATOM 1017 NZ LYS A 153 5.245 66.211 22.499 1.00 40.77 N ATOM 0 H LYS A 153 4.894 59.280 20.262 1.00 30.36 H new ATOM 0 HA LYS A 153 5.122 59.819 22.754 1.00 30.61 H new ATOM 0 HB2 LYS A 153 5.496 61.403 20.989 1.00 32.37 H new ATOM 0 HB3 LYS A 153 3.950 61.557 20.850 1.00 32.37 H new ATOM 0 HG2 LYS A 153 3.794 62.493 22.974 1.00 35.11 H new ATOM 0 HG3 LYS A 153 5.297 62.190 23.261 1.00 35.11 H new ATOM 0 HD2 LYS A 153 5.892 63.728 21.514 1.00 40.42 H new ATOM 0 HD3 LYS A 153 4.383 64.087 21.357 1.00 40.42 H new ATOM 0 HE2 LYS A 153 4.440 64.791 23.706 1.00 39.38 H new ATOM 0 HE3 LYS A 153 5.993 64.687 23.612 1.00 39.38 H new ATOM 0 HZ1 LYS A 153 5.324 66.816 23.147 1.00 40.77 H new ATOM 0 HZ2 LYS A 153 5.945 66.268 21.953 1.00 40.77 H new ATOM 0 HZ3 LYS A 153 4.498 66.365 22.040 1.00 40.77 H new ATOM 1018 N LEU A 154 2.086 59.553 21.805 1.00 30.23 N ATOM 1019 CA LEU A 154 0.731 59.342 22.297 1.00 31.15 C ATOM 1020 C LEU A 154 0.675 58.120 23.211 1.00 30.76 C ATOM 1021 O LEU A 154 0.085 58.185 24.287 1.00 30.44 O ATOM 1022 CB LEU A 154 -0.251 59.197 21.127 1.00 31.21 C ATOM 1023 CG LEU A 154 -1.749 59.258 21.406 1.00 34.64 C ATOM 1024 CD1 LEU A 154 -2.126 60.522 22.159 1.00 34.53 C ATOM 1025 CD2 LEU A 154 -2.508 59.172 20.091 1.00 36.22 C ATOM 0 H LEU A 154 2.178 59.469 20.954 1.00 30.23 H new ATOM 0 HA LEU A 154 0.469 60.118 22.816 1.00 31.15 H new ATOM 0 HB2 LEU A 154 -0.045 59.893 20.484 1.00 31.21 H new ATOM 0 HB3 LEU A 154 -0.068 58.348 20.695 1.00 31.21 H new ATOM 0 HG LEU A 154 -1.989 58.506 21.970 1.00 34.64 H new ATOM 0 HD11 LEU A 154 -3.082 60.530 22.320 1.00 34.53 H new ATOM 0 HD12 LEU A 154 -1.656 60.546 23.007 1.00 34.53 H new ATOM 0 HD13 LEU A 154 -1.881 61.298 21.632 1.00 34.53 H new ATOM 0 HD21 LEU A 154 -3.462 59.210 20.264 1.00 36.22 H new ATOM 0 HD22 LEU A 154 -2.253 59.914 19.521 1.00 36.22 H new ATOM 0 HD23 LEU A 154 -2.294 58.336 19.648 1.00 36.22 H new ATOM 1026 N ALA A 155 1.308 57.018 22.802 1.00 27.81 N ATOM 1027 CA ALA A 155 1.328 55.808 23.627 1.00 27.75 C ATOM 1028 C ALA A 155 2.065 55.992 24.969 1.00 30.10 C ATOM 1029 O ALA A 155 1.637 55.481 25.995 1.00 31.38 O ATOM 1030 CB ALA A 155 1.914 54.633 22.865 1.00 26.25 C ATOM 0 H ALA A 155 1.729 56.951 22.055 1.00 27.81 H new ATOM 0 HA ALA A 155 0.400 55.621 23.840 1.00 27.75 H new ATOM 0 HB1 ALA A 155 1.915 53.847 23.433 1.00 26.25 H new ATOM 0 HB2 ALA A 155 1.378 54.460 22.075 1.00 26.25 H new ATOM 0 HB3 ALA A 155 2.823 54.841 22.599 1.00 26.25 H new ATOM 1031 N HIS A 156 3.177 56.709 24.961 1.00 32.61 N ATOM 1032 CA HIS A 156 3.899 56.954 26.200 1.00 33.01 C ATOM 1033 C HIS A 156 3.006 57.680 27.195 1.00 36.84 C ATOM 1034 O HIS A 156 3.069 57.420 28.402 1.00 37.33 O ATOM 1035 CB HIS A 156 5.152 57.773 25.937 1.00 33.21 C ATOM 1036 CG HIS A 156 6.370 56.941 25.701 1.00 37.12 C ATOM 1037 ND1 HIS A 156 6.789 55.973 26.589 1.00 34.76 N ATOM 1038 CD2 HIS A 156 7.270 56.938 24.687 1.00 35.59 C ATOM 1039 CE1 HIS A 156 7.886 55.402 26.128 1.00 33.44 C ATOM 1040 NE2 HIS A 156 8.204 55.972 24.977 1.00 36.11 N ATOM 0 H HIS A 156 3.528 57.060 24.259 1.00 32.61 H new ATOM 0 HA HIS A 156 4.160 56.098 26.574 1.00 33.01 H new ATOM 0 HB2 HIS A 156 5.002 58.341 25.165 1.00 33.21 H new ATOM 0 HB3 HIS A 156 5.311 58.359 26.693 1.00 33.21 H new ATOM 0 HD2 HIS A 156 7.258 57.487 23.936 1.00 35.59 H new ATOM 0 HE1 HIS A 156 8.356 54.715 26.542 1.00 33.44 H new ATOM 0 HE2 HIS A 156 8.884 55.771 24.490 1.00 36.11 H new ATOM 1041 N SER A 157 2.163 58.575 26.681 1.00 34.88 N ATOM 1042 CA SER A 157 1.321 59.407 27.533 1.00 33.37 C ATOM 1043 C SER A 157 0.188 58.631 28.196 1.00 39.67 C ATOM 1044 O SER A 157 -0.587 59.196 28.969 1.00 39.09 O ATOM 1045 CB SER A 157 0.752 60.591 26.756 1.00 33.55 C ATOM 1046 OG SER A 157 -0.380 60.222 25.979 1.00 38.20 O ATOM 0 H SER A 157 2.065 58.715 25.838 1.00 34.88 H new ATOM 0 HA SER A 157 1.899 59.733 28.240 1.00 33.37 H new ATOM 0 HB2 SER A 157 0.503 61.294 27.376 1.00 33.55 H new ATOM 0 HB3 SER A 157 1.438 60.955 26.175 1.00 33.55 H new ATOM 0 HG SER A 157 -0.172 59.594 25.461 1.00 38.20 H new ATOM 1047 N LYS A 158 0.094 57.338 27.908 1.00 38.35 N ATOM 1048 CA LYS A 158 -0.993 56.522 28.445 1.00 38.07 C ATOM 1049 C LYS A 158 -0.541 55.660 29.632 1.00 37.96 C ATOM 1050 O LYS A 158 0.662 55.453 29.851 1.00 41.98 O ATOM 1051 CB LYS A 158 -1.611 55.651 27.336 1.00 36.02 C ATOM 1052 CG LYS A 158 -2.069 56.410 26.074 1.00 34.45 C ATOM 1053 CD LYS A 158 -3.181 57.421 26.377 1.00 38.88 C ATOM 1054 CE LYS A 158 -4.032 57.725 25.140 1.00 35.95 C ATOM 1055 NZ LYS A 158 -3.193 57.939 23.930 1.00 38.28 N ATOM 0 H LYS A 158 0.647 56.913 27.405 1.00 38.35 H new ATOM 0 HA LYS A 158 -1.672 57.128 28.780 1.00 38.07 H new ATOM 0 HB2 LYS A 158 -0.961 54.980 27.073 1.00 36.02 H new ATOM 0 HB3 LYS A 158 -2.373 55.178 27.705 1.00 36.02 H new ATOM 0 HG2 LYS A 158 -1.311 56.873 25.684 1.00 34.45 H new ATOM 0 HG3 LYS A 158 -2.384 55.774 25.413 1.00 34.45 H new ATOM 0 HD2 LYS A 158 -3.749 57.074 27.082 1.00 38.88 H new ATOM 0 HD3 LYS A 158 -2.788 58.244 26.708 1.00 38.88 H new ATOM 0 HE2 LYS A 158 -4.646 56.991 24.982 1.00 35.95 H new ATOM 0 HE3 LYS A 158 -4.570 58.515 25.304 1.00 35.95 H new ATOM 0 HZ1 LYS A 158 -3.576 58.549 23.407 1.00 38.28 H new ATOM 0 HZ2 LYS A 158 -2.386 58.223 24.175 1.00 38.28 H new ATOM 0 HZ3 LYS A 158 -3.115 57.173 23.484 1.00 38.28 H new TER 1056 LYS A 158 HETATM 1057 O HOH A 1 17.116 48.579 23.473 1.00 29.94 O HETATM 1058 O HOH A 3 -1.337 50.091 9.674 1.00 26.52 O HETATM 1059 O HOH A 4 21.717 55.731 16.020 1.00 32.07 O HETATM 1060 O HOH A 5 1.048 52.269 29.961 1.00 38.36 O HETATM 1061 O HOH A 6 3.675 49.319 28.531 1.00 28.51 O HETATM 1062 O HOH A 7 -2.105 47.044 24.491 1.00 32.56 O HETATM 1063 O HOH A 8 -7.793 39.035 10.255 1.00 41.25 O HETATM 1064 O HOH A 9 13.919 48.609 24.819 1.00 32.21 O HETATM 1065 O HOH A 10 -6.829 41.109 20.117 1.00 40.67 O HETATM 1066 O HOH A 11 5.805 48.237 6.367 1.00 33.74 O HETATM 1067 O HOH A 12 7.850 60.141 20.003 1.00 30.88 O HETATM 1068 O HOH A 13 8.976 45.641 8.986 1.00 28.84 O HETATM 1069 O HOH A 14 12.610 50.257 28.790 1.00 34.17 O HETATM 1070 O HOH A 15 1.919 41.251 24.987 1.00 51.78 O HETATM 1071 O HOH A 16 5.905 47.373 28.559 1.00 36.33 O HETATM 1072 O HOH A 17 12.816 45.481 19.255 1.00 29.86 O HETATM 1073 O HOH A 169 18.219 44.844 16.086 1.00 37.31 O HETATM 1074 O HOH A 170 12.016 38.696 -1.738 1.00 41.37 O HETATM 1075 O HOH A 171 2.011 49.424 7.863 1.00 33.19 O HETATM 1076 O HOH A 172 7.847 59.964 22.534 1.00 35.76 O HETATM 1077 O HOH A 173 -0.655 56.067 18.859 1.00 33.47 O HETATM 1078 O HOH A 174 3.192 53.485 29.268 1.00 39.39 O HETATM 1079 O HOH A 175 13.759 40.227 22.083 1.00 40.06 O HETATM 1080 O HOH A 176 0.152 52.455 6.758 1.00 40.32 O HETATM 1081 O HOH A 177 12.194 30.907 10.290 1.00 48.93 O HETATM 1082 O HOH A 178 13.420 58.259 21.832 1.00 32.18 O HETATM 1083 O HOH A 179 7.647 62.740 8.833 1.00 42.78 O HETATM 1084 O HOH A 180 7.551 46.505 24.477 1.00 34.53 O HETATM 1085 O HOH A 181 10.066 59.706 18.583 1.00 36.96 O HETATM 1086 O HOH A 182 -6.521 47.126 26.784 1.00 34.35 O HETATM 1087 O HOH A 183 5.623 43.018 25.076 1.00 42.76 O HETATM 1088 O HOH A 184 10.370 54.074 3.816 1.00 38.81 O HETATM 1089 O HOH A 185 11.107 56.497 21.164 1.00 33.98 O CONECT 241 258 CONECT 258 241 CONECT 281 288 CONECT 288 281 289 CONECT 289 288 290 292 CONECT 290 289 291 296 CONECT 291 290 CONECT 292 289 293 CONECT 293 292 294 CONECT 294 293 295 CONECT 295 294 CONECT 296 290 CONECT 305 308 CONECT 308 305 309 CONECT 309 308 310 312 CONECT 310 309 311 316 CONECT 311 310 CONECT 312 309 313 CONECT 313 312 314 CONECT 314 313 315 CONECT 315 314 CONECT 316 310 CONECT 417 423 CONECT 423 417 424 CONECT 424 423 425 427 CONECT 425 424 426 431 CONECT 426 425 CONECT 427 424 428 CONECT 428 427 429 CONECT 429 428 430 CONECT 430 429 CONECT 431 425 CONECT 699 708 CONECT 708 699 709 CONECT 709 708 710 712 CONECT 710 709 711 716 CONECT 711 710 CONECT 712 709 713 CONECT 713 712 714 CONECT 714 713 715 CONECT 715 714 CONECT 716 710 END