USER MOD reduce.3.24.130724 H: found=0, std=0, add=1573, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 07-MAY-20 7C2C TITLE ESTERASE ALINE4 MUTANT, D162A COMPND MOL_ID: 1; COMPND 2 MOLECULE: SGNH-HYDROLASE FAMILY ESTERASE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ALTERERYTHROBACTER INDICUS; SOURCE 3 ORGANISM_COMMON: ALINE4; SOURCE 4 ORGANISM_TAXID: 374177; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ESTERASE, SGNH-HYDROLASE FAMILY, MARINE, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR Z.LI,J.LI REVDAT 1 20-MAY-20 7C2C 0 SPRSDE 20-MAY-20 7C2C 6M45 JRNL AUTH Z.LI,J.LI JRNL TITL C-TERMINAL SWAPPED DIMERS REVEALED A NEW CATALYTIC MECHANISM JRNL TITL 2 OF SGNH-HYDROLASE FAMILY ESTERASES JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.55 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.14_3247 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.42 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 29038 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.165 REMARK 3 R VALUE (WORKING SET) : 0.164 REMARK 3 FREE R VALUE : 0.182 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.890 REMARK 3 FREE R VALUE TEST SET COUNT : 2000 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 48.4200 - 3.7400 1.00 2103 155 0.1634 0.1681 REMARK 3 2 3.7400 - 2.9700 1.00 1971 147 0.1639 0.1753 REMARK 3 3 2.9700 - 2.5900 1.00 1964 144 0.1716 0.1982 REMARK 3 4 2.5900 - 2.3600 1.00 1932 144 0.1712 0.1916 REMARK 3 5 2.3600 - 2.1900 1.00 1929 142 0.1597 0.1585 REMARK 3 6 2.1900 - 2.0600 1.00 1920 143 0.1564 0.1843 REMARK 3 7 2.0600 - 1.9600 1.00 1931 142 0.1643 0.1934 REMARK 3 8 1.9600 - 1.8700 1.00 1906 141 0.1600 0.1720 REMARK 3 9 1.8700 - 1.8000 1.00 1889 140 0.1589 0.2034 REMARK 3 10 1.8000 - 1.7400 1.00 1904 140 0.1643 0.1929 REMARK 3 11 1.7400 - 1.6800 1.00 1912 142 0.1660 0.1904 REMARK 3 12 1.6800 - 1.6300 1.00 1893 140 0.1610 0.1728 REMARK 3 13 1.6300 - 1.5900 1.00 1895 141 0.1652 0.2092 REMARK 3 14 1.5900 - 1.5500 1.00 1889 139 0.1627 0.2021 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.126 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 15.712 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 12.39 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.31 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.007 1562 REMARK 3 ANGLE : 0.813 2119 REMARK 3 CHIRALITY : 0.053 231 REMARK 3 PLANARITY : 0.006 286 REMARK 3 DIHEDRAL : 19.783 601 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 7C2C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-MAY-20. REMARK 100 THE DEPOSITION ID IS D_1300016894. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-NOV-17 REMARK 200 TEMPERATURE (KELVIN) : 80 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.06881 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 29038 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.550 REMARK 200 RESOLUTION RANGE LOW (A) : 48.420 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 2.000 REMARK 200 R MERGE (I) : 0.09600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 32.7100 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.55 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.64 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.26200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 4JGG REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.35 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1M SODIUM ACETATE, 100MM HEPES, PH REMARK 280 7.5, 50MM CADMIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 291.15K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.90500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 30.46000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.90500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 30.46000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.90500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 30.46000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.90500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 30.46000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 469 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LYS A 189 REMARK 465 LYS A 190 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 441 O HOH A 477 1.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 12 -140.27 -116.79 REMARK 500 ASP A 12 -140.50 -116.79 REMARK 500 ALA A 162 -113.12 -124.50 REMARK 500 ALA A 162 -113.12 -128.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 202 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 31 OE1 REMARK 620 2 GLU A 31 OE2 51.6 REMARK 620 3 GOL A 207 O1 133.5 83.1 REMARK 620 4 GOL A 207 O2 158.2 150.1 67.8 REMARK 620 5 HOH A 456 O 95.4 88.8 93.6 86.4 REMARK 620 6 HOH A 457 O 86.5 94.6 87.1 90.7 176.5 REMARK 620 7 HOH A 379 O 80.8 131.9 145.0 77.5 89.0 88.5 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 201 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 91 OE1 REMARK 620 2 GLU A 91 OE2 51.9 REMARK 620 3 SER A 0 N 19.2 70.2 REMARK 620 4 SER A 0 OG 16.6 67.7 2.6 REMARK 620 5 GLU A 173 OE1 81.2 95.8 83.6 83.1 REMARK 620 6 GLU A 173 OE1 81.7 94.9 84.5 84.0 1.6 REMARK 620 7 GLU A 173 OE2 82.4 94.1 85.7 85.2 3.4 1.7 REMARK 620 8 GLU A 173 OE2 81.2 96.6 83.2 82.8 1.1 2.7 4.4 REMARK 620 9 HOH A 331 O 121.6 84.2 125.8 125.6 147.7 146.3 144.7 148.4 REMARK 620 N 1 2 3 4 5 6 7 8 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 203 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 165 NE2 REMARK 620 2 ACT A 205 O 94.8 REMARK 620 3 HOH A 330 O 149.5 107.9 REMARK 620 4 ACT A 205 OXT 112.1 48.8 71.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 204 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 180 OD1 REMARK 620 2 ACT A 206 OXT 83.6 REMARK 620 3 HIS A 37 ND1 14.4 72.0 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 207 DBREF1 7C2C A 0 190 UNP A0A4P1LYH5_9SPHN DBREF2 7C2C A A0A4P1LYH5 1 191 SEQADV 7C2C ALA A 162 UNP A0A4P1LYH ASP 163 ENGINEERED MUTATION SEQRES 1 A 191 SER MET GLY GLU SER ARG VAL ILE LEU ALA PHE GLY ASP SEQRES 2 A 191 SER LEU PHE ALA GLY TYR GLY LEU ASP LYS GLY GLU SER SEQRES 3 A 191 TYR PRO ALA LYS LEU GLU THR ALA LEU ARG SER HIS GLY SEQRES 4 A 191 ILE ASN ALA ARG ILE ILE ASN ALA GLY VAL SER GLY ASP SEQRES 5 A 191 THR THR ALA ALA GLY LEU GLN ARG ILE LYS PHE VAL LEU SEQRES 6 A 191 ASP SER GLN PRO ASP LYS PRO GLU LEU ALA ILE VAL GLU SEQRES 7 A 191 LEU GLY GLY ASN ASP LEU LEU ARG GLY LEU SER PRO ALA SEQRES 8 A 191 GLU ALA ARG GLN ASN LEU SER GLY ILE LEU GLU GLU LEU SEQRES 9 A 191 GLN ARG ARG LYS ILE PRO ILE LEU LEU MET GLY MET ARG SEQRES 10 A 191 ALA PRO PRO ASN LEU GLY ALA LYS TYR GLN ARG GLU PHE SEQRES 11 A 191 ASP GLY ILE TYR PRO TYR LEU ALA GLU LYS TYR ASP ALA SEQRES 12 A 191 LYS LEU VAL PRO PHE PHE LEU GLU ALA VAL ALA ASP ARG SEQRES 13 A 191 PRO ASP LEU ILE GLN LYS ALA HIS VAL HIS PRO THR ALA SEQRES 14 A 191 ARG GLY VAL GLU GLU LEU VAL SER ALA THR SER ASN ALA SEQRES 15 A 191 VAL ALA LYS ALA LEU PRO ALA LYS LYS HET CD A 201 1 HET CD A 202 1 HET CD A 203 1 HET CD A 204 1 HET ACT A 205 4 HET ACT A 206 4 HET GOL A 207 6 HETNAM CD CADMIUM ION HETNAM ACT ACETATE ION HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 CD 4(CD 2+) FORMUL 6 ACT 2(C2 H3 O2 1-) FORMUL 8 GOL C3 H8 O3 FORMUL 9 HOH *188(H2 O) HELIX 1 AA1 ASP A 12 GLY A 17 1 6 HELIX 2 AA2 SER A 25 ARG A 35 1 11 HELIX 3 AA3 SER A 36 GLY A 38 5 3 HELIX 4 AA4 THR A 52 SER A 66 1 15 HELIX 5 AA5 GLY A 79 ARG A 85 1 7 HELIX 6 AA6 SER A 88 ARG A 106 1 19 HELIX 7 AA7 PRO A 118 LEU A 121 5 4 HELIX 8 AA8 GLY A 122 TYR A 140 1 19 HELIX 9 AA9 LEU A 149 ALA A 153 5 5 HELIX 10 AB1 ARG A 155 ILE A 159 5 5 HELIX 11 AB2 THR A 167 LEU A 186 1 20 SHEET 1 AA1 5 ALA A 41 GLY A 47 0 SHEET 2 AA1 5 ARG A 5 GLY A 11 1 N ARG A 5 O ARG A 42 SHEET 3 AA1 5 LEU A 73 GLU A 77 1 O ILE A 75 N LEU A 8 SHEET 4 AA1 5 ILE A 110 MET A 113 1 O MET A 113 N VAL A 76 SHEET 5 AA1 5 LYS A 143 VAL A 145 1 O LYS A 143 N LEU A 112 LINK OE1 GLU A 31 CD CD A 202 1555 1555 2.55 LINK OE2 GLU A 31 CD CD A 202 1555 1555 2.51 LINK OE1 GLU A 91 CD CD A 201 1555 1555 2.61 LINK OE2 GLU A 91 CD CD A 201 1555 1555 2.36 LINK NE2 HIS A 165 CD CD A 203 1555 1555 2.43 LINK OD1 ASN A 180 CD CD A 204 1555 1555 2.58 LINK CD CD A 202 O1 GOL A 207 1555 1555 2.52 LINK CD CD A 202 O2 GOL A 207 1555 1555 2.57 LINK CD CD A 202 O HOH A 456 1555 1555 2.50 LINK CD CD A 202 O HOH A 457 1555 1555 2.53 LINK CD CD A 202 O HOH A 379 1555 1555 2.46 LINK CD CD A 204 OXT ACT A 206 1555 1555 2.23 LINK N SER A 0 CD CD A 201 1555 6455 2.46 LINK OG SER A 0 CD CD A 201 1555 6455 2.49 LINK ND1 HIS A 37 CD CD A 204 1555 7455 2.62 LINK OE1AGLU A 173 CD CD A 201 1555 3554 2.48 LINK OE1BGLU A 173 CD CD A 201 1555 3554 2.55 LINK OE2AGLU A 173 CD CD A 201 1555 3554 2.61 LINK OE2BGLU A 173 CD CD A 201 1555 3554 2.44 LINK CD CD A 201 O HOH A 331 1555 4455 2.49 LINK CD CD A 203 O ACT A 205 1555 2565 2.70 LINK CD CD A 203 O HOH A 330 1555 2565 2.57 LINK CD CD A 203 OXT ACT A 205 1555 2565 2.26 SITE *** AC1 4 SER A 0 GLU A 91 GLU A 173 HOH A 331 SITE *** AC2 5 GLU A 31 GOL A 207 HOH A 379 HOH A 456 SITE *** AC2 5 HOH A 457 SITE *** AC3 6 SER A 13 HIS A 163 HIS A 165 ACT A 205 SITE *** AC3 6 HOH A 330 HOH A 443 SITE *** AC4 5 HIS A 37 ASN A 180 ACT A 206 HOH A 400 SITE *** AC4 5 HOH A 453 SITE *** AC5 5 SER A 13 ASN A 81 CD A 203 HOH A 321 SITE *** AC5 5 HOH A 330 SITE *** AC6 4 ASN A 180 ALA A 183 CD A 204 HOH A 400 SITE *** AC7 8 GLU A 31 ARG A 93 TYR A 135 CD A 202 SITE *** AC7 8 HOH A 317 HOH A 348 HOH A 368 HOH A 387 CRYST1 79.810 79.810 60.920 90.00 90.00 90.00 P 42 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012530 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012530 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016415 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 165 HIS HE2 : A 165 HIS NE2 : A 203 CDCD :(H bumps) USER MOD Set 1.1: A 135 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 139 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.14) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl -112:sc= -0.0232 (180deg=-0.49) USER MOD Set 3.1: A 53 THR OG1 : rot -86:sc= 1.7 USER MOD Set 3.2: A 95 ASN : amide:sc= 1.38 K(o=3.1,f=1.6) USER MOD Set 4.1: A 13 SER OG B: rot 86:sc= 0.421 USER MOD Set 4.2: A 49 SER OG : rot -70:sc= 0.00256 USER MOD Set 5.1: A 25 SER OG : rot 153:sc= 0.927 USER MOD Set 5.2: A 45 ASN : amide:sc= 0.408 K(o=1.3,f=-4.9!) USER MOD Single : A 0 SER N :NH3+ 136:sc= 0.104 (180deg=0) USER MOD Single : A 0 SER OG : rot 145:sc= 1.49 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG A: rot -156:sc= 1.86 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.898 (180deg=0.781) USER MOD Single : A 32 THR OG1 : rot 148:sc= 1.28 USER MOD Single : A 36 SER OG : rot 77:sc= 0.431 USER MOD Single : A 37 HIS : no HD1:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 40 ASN : amide:sc= 1.65 K(o=1.6,f=0.92) USER MOD Single : A 52 THR OG1 : rot 116:sc= 0.284 USER MOD Single : A 58 GLN : amide:sc= 0.977 K(o=0.98,f=0.079) USER MOD Single : A 61 LYS NZ A:NH3+ 156:sc= 1.29 (180deg=0.631) USER MOD Single : A 61 LYS NZ B:NH3+ -133:sc= 1.32 (180deg=-0.471) USER MOD Single : A 66 SER OG : rot 78:sc= 0.884 USER MOD Single : A 67 GLN : amide:sc= 2.51 K(o=2.5,f=0.75) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 1.04 (180deg=0.84) USER MOD Single : A 81 ASN : amide:sc= 2.69 K(o=2.7,f=1.9) USER MOD Single : A 88 SER OG : rot 66:sc= 1.47 USER MOD Single : A 94 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.46) USER MOD Single : A 97 SER OG : rot 71:sc= 1.69 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -147:sc= -0.103 (180deg=-0.568) USER MOD Single : A 120 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.8) USER MOD Single : A 124 LYS NZ :NH3+ 175:sc= 1.33 (180deg=1.26) USER MOD Single : A 125 TYR OH : rot 170:sc= 1.37 USER MOD Single : A 126 GLN : amide:sc= 0.872 K(o=0.87,f=-0.25) USER MOD Single : A 133 TYR OH : rot -14:sc= 0.589 USER MOD Single : A 140 TYR OH : rot 3:sc= 0.647 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= 0.442 K(o=0.44,f=-1.1) USER MOD Single : A 161 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 HIS : no HD1:sc= -0.681 K(o=-0.68,f=-3.2!) USER MOD Single : A 167 THR OG1 : rot 177:sc= 1.62 USER MOD Single : A 176 SER OG A: rot 78:sc= 0.026 USER MOD Single : A 176 SER OG B: rot -43:sc= 3.39 USER MOD Single : A 178 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 179 SER OG : rot 72:sc= 1.04 USER MOD Single : A 180 ASN : amide:sc= -0.0515 K(o=-0.052,f=-1.2!) USER MOD Single : A 184 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 GOL O2 : rot -131:sc= 1.33 USER MOD Single : A 207 GOL O3 : rot -89:sc= 2.15 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.299 6.719 8.347 1.00 11.50 N ATOM 2 CA SER A 0 -24.197 5.949 8.896 1.00 11.04 C ATOM 3 C SER A 0 -24.483 5.719 10.348 1.00 10.62 C ATOM 4 O SER A 0 -25.156 6.530 10.990 1.00 13.18 O ATOM 5 CB SER A 0 -22.849 6.663 8.756 1.00 13.21 C ATOM 6 OG SER A 0 -22.458 6.799 7.394 1.00 19.60 O ATOM 0 H1 SER A 0 -24.979 7.366 7.826 1.00 11.50 H new ATOM 0 H2 SER A 0 -25.824 6.185 7.867 1.00 11.50 H new ATOM 0 H3 SER A 0 -25.770 7.079 9.011 1.00 11.50 H new ATOM 0 HA SER A 0 -24.128 5.117 8.402 1.00 11.04 H new ATOM 0 HB2 SER A 0 -22.905 7.541 9.165 1.00 13.21 H new ATOM 0 HB3 SER A 0 -22.169 6.167 9.239 1.00 13.21 H new ATOM 0 HG SER A 0 -22.058 7.530 7.289 1.00 19.60 H new ATOM 7 N MET A 1 -23.956 4.622 10.870 1.00 14.43 N ATOM 8 CA MET A 1 -24.078 4.300 12.279 1.00 14.40 C ATOM 9 C MET A 1 -22.971 4.960 13.083 1.00 13.80 C ATOM 10 O MET A 1 -21.845 5.117 12.606 1.00 17.47 O ATOM 11 CB MET A 1 -24.003 2.792 12.491 1.00 17.45 C ATOM 12 CG MET A 1 -25.074 2.055 11.764 1.00 23.40 C ATOM 13 SD MET A 1 -26.530 2.159 12.784 1.00 27.34 S ATOM 14 CE MET A 1 -26.410 0.571 13.609 1.00 38.23 C ATOM 0 H MET A 1 -23.516 4.041 10.414 1.00 14.43 H new ATOM 0 HA MET A 1 -24.938 4.632 12.581 1.00 14.40 H new ATOM 0 HB2 MET A 1 -23.137 2.470 12.196 1.00 17.45 H new ATOM 0 HB3 MET A 1 -24.069 2.599 13.439 1.00 17.45 H new ATOM 0 HG2 MET A 1 -25.234 2.448 10.892 1.00 23.40 H new ATOM 0 HG3 MET A 1 -24.820 1.131 11.617 1.00 23.40 H new ATOM 0 HE1 MET A 1 -27.155 0.467 14.221 1.00 38.23 H new ATOM 0 HE2 MET A 1 -26.433 -0.139 12.949 1.00 38.23 H new ATOM 0 HE3 MET A 1 -25.577 0.525 14.104 1.00 38.23 H new ATOM 15 N GLY A 2 -23.310 5.343 14.306 1.00 12.50 N ATOM 16 CA GLY A 2 -22.318 5.501 15.348 1.00 13.86 C ATOM 17 C GLY A 2 -21.952 6.950 15.624 1.00 12.94 C ATOM 18 O GLY A 2 -22.194 7.857 14.823 1.00 14.35 O ATOM 0 H GLY A 2 -24.116 5.517 14.551 1.00 12.50 H new ATOM 0 HA2 GLY A 2 -22.651 5.098 16.165 1.00 13.86 H new ATOM 0 HA3 GLY A 2 -21.517 5.015 15.098 1.00 13.86 H new ATOM 19 N GLU A 3 -21.322 7.148 16.777 1.00 13.96 N ATOM 20 CA GLU A 3 -20.842 8.462 17.172 1.00 10.34 C ATOM 21 C GLU A 3 -19.709 8.915 16.260 1.00 11.43 C ATOM 22 O GLU A 3 -18.998 8.108 15.652 1.00 12.43 O ATOM 23 CB GLU A 3 -20.356 8.439 18.618 1.00 14.62 C ATOM 24 CG GLU A 3 -19.313 7.379 18.872 1.00 15.35 C ATOM 25 CD GLU A 3 -19.915 6.148 19.508 1.00 32.97 C ATOM 26 OE1 GLU A 3 -19.510 5.812 20.639 1.00 39.00 O ATOM 27 OE2 GLU A 3 -20.808 5.530 18.884 1.00 34.48 O ATOM 0 H GLU A 3 -21.162 6.526 17.349 1.00 13.96 H new ATOM 0 HA GLU A 3 -21.579 9.088 17.094 1.00 10.34 H new ATOM 0 HB2 GLU A 3 -19.989 9.308 18.844 1.00 14.62 H new ATOM 0 HB3 GLU A 3 -21.113 8.289 19.206 1.00 14.62 H new ATOM 0 HG2 GLU A 3 -18.887 7.136 18.035 1.00 15.35 H new ATOM 0 HG3 GLU A 3 -18.621 7.737 19.450 1.00 15.35 H new ATOM 28 N SER A 4 -19.541 10.232 16.185 1.00 10.84 N ATOM 29 CA SER A 4 -18.558 10.816 15.287 1.00 11.61 C ATOM 30 C SER A 4 -17.139 10.574 15.786 1.00 10.44 C ATOM 31 O SER A 4 -16.894 10.405 16.986 1.00 12.65 O ATOM 32 CB SER A 4 -18.803 12.319 15.135 1.00 11.40 C ATOM 33 OG SER A 4 -20.111 12.564 14.633 1.00 12.20 O ATOM 0 H SER A 4 -19.988 10.803 16.647 1.00 10.84 H new ATOM 0 HA SER A 4 -18.655 10.386 14.423 1.00 11.61 H new ATOM 0 HB2 SER A 4 -18.693 12.758 15.993 1.00 11.40 H new ATOM 0 HB3 SER A 4 -18.144 12.700 14.534 1.00 11.40 H new ATOM 0 HG SER A 4 -20.231 13.392 14.556 1.00 12.20 H new ATOM 34 N ARG A 5 -16.203 10.545 14.833 1.00 10.68 N ATOM 35 CA ARG A 5 -14.781 10.447 15.144 1.00 9.29 C ATOM 36 C ARG A 5 -14.266 11.799 15.624 1.00 11.77 C ATOM 37 O ARG A 5 -14.548 12.831 15.007 1.00 15.89 O ATOM 38 CB ARG A 5 -13.978 10.000 13.921 1.00 11.74 C ATOM 39 CG ARG A 5 -14.628 8.880 13.110 1.00 13.11 C ATOM 40 CD ARG A 5 -14.647 7.557 13.877 1.00 11.03 C ATOM 41 NE ARG A 5 -13.352 7.211 14.455 1.00 12.54 N ATOM 42 CZ ARG A 5 -12.327 6.694 13.777 1.00 12.64 C ATOM 43 NH1 ARG A 5 -12.420 6.460 12.477 1.00 14.68 N ATOM 44 NH2 ARG A 5 -11.186 6.426 14.407 1.00 15.48 N ATOM 0 H ARG A 5 -16.378 10.582 13.992 1.00 10.68 H new ATOM 0 HA ARG A 5 -14.669 9.784 15.843 1.00 9.29 H new ATOM 0 HB2 ARG A 5 -13.840 10.765 13.341 1.00 11.74 H new ATOM 0 HB3 ARG A 5 -13.102 9.705 14.214 1.00 11.74 H new ATOM 0 HG2 ARG A 5 -15.536 9.133 12.880 1.00 13.11 H new ATOM 0 HG3 ARG A 5 -14.146 8.763 12.276 1.00 13.11 H new ATOM 0 HD2 ARG A 5 -15.308 7.610 14.585 1.00 11.03 H new ATOM 0 HD3 ARG A 5 -14.928 6.847 13.279 1.00 11.03 H new ATOM 0 HE ARG A 5 -13.242 7.351 15.296 1.00 12.54 H new ATOM 0 HH11 ARG A 5 -13.149 6.642 12.058 1.00 14.68 H new ATOM 0 HH12 ARG A 5 -11.751 6.126 12.051 1.00 14.68 H new ATOM 0 HH21 ARG A 5 -11.112 6.586 15.249 1.00 15.48 H new ATOM 0 HH22 ARG A 5 -10.523 6.092 13.973 1.00 15.48 H new ATOM 45 N VAL A 6 -13.496 11.797 16.707 1.00 9.61 N ATOM 46 CA VAL A 6 -13.039 13.033 17.331 1.00 9.13 C ATOM 47 C VAL A 6 -11.622 13.350 16.863 1.00 8.31 C ATOM 48 O VAL A 6 -10.703 12.535 17.012 1.00 9.94 O ATOM 49 CB VAL A 6 -13.102 12.937 18.862 1.00 10.24 C ATOM 50 CG1 VAL A 6 -12.579 14.206 19.481 1.00 10.81 C ATOM 51 CG2 VAL A 6 -14.536 12.676 19.309 1.00 11.48 C ATOM 0 H VAL A 6 -13.225 11.082 17.100 1.00 9.61 H new ATOM 0 HA VAL A 6 -13.629 13.754 17.061 1.00 9.13 H new ATOM 0 HB VAL A 6 -12.546 12.198 19.157 1.00 10.24 H new ATOM 0 HG11 VAL A 6 -12.622 14.137 20.448 1.00 10.81 H new ATOM 0 HG12 VAL A 6 -11.658 14.344 19.208 1.00 10.81 H new ATOM 0 HG13 VAL A 6 -13.119 14.956 19.187 1.00 10.81 H new ATOM 0 HG21 VAL A 6 -14.568 12.617 20.277 1.00 11.48 H new ATOM 0 HG22 VAL A 6 -15.105 13.403 19.011 1.00 11.48 H new ATOM 0 HG23 VAL A 6 -14.849 11.842 18.924 1.00 11.48 H new ATOM 52 N ILE A 7 -11.443 14.540 16.302 1.00 8.28 N ATOM 53 CA ILE A 7 -10.150 14.988 15.800 1.00 8.12 C ATOM 54 C ILE A 7 -9.828 16.300 16.485 1.00 6.02 C ATOM 55 O ILE A 7 -10.667 17.205 16.519 1.00 9.69 O ATOM 56 CB ILE A 7 -10.170 15.166 14.269 1.00 8.42 C ATOM 57 CG1 ILE A 7 -10.492 13.842 13.574 1.00 7.84 C ATOM 58 CG2 ILE A 7 -8.840 15.749 13.766 1.00 9.34 C ATOM 59 CD1 ILE A 7 -10.716 13.976 12.066 1.00 11.36 C ATOM 0 H ILE A 7 -12.074 15.115 16.201 1.00 8.28 H new ATOM 0 HA ILE A 7 -9.472 14.322 15.994 1.00 8.12 H new ATOM 0 HB ILE A 7 -10.872 15.798 14.047 1.00 8.42 H new ATOM 0 HG12 ILE A 7 -9.765 13.219 13.731 1.00 7.84 H new ATOM 0 HG13 ILE A 7 -11.286 13.459 13.978 1.00 7.84 H new ATOM 0 HG21 ILE A 7 -8.876 15.852 12.802 1.00 9.34 H new ATOM 0 HG22 ILE A 7 -8.689 16.614 14.178 1.00 9.34 H new ATOM 0 HG23 ILE A 7 -8.114 15.149 14.000 1.00 9.34 H new ATOM 0 HD11 ILE A 7 -10.915 13.104 11.689 1.00 11.36 H new ATOM 0 HD12 ILE A 7 -11.460 14.576 11.901 1.00 11.36 H new ATOM 0 HD13 ILE A 7 -9.915 14.332 11.650 1.00 11.36 H new ATOM 60 N LEU A 8 -8.621 16.406 17.040 1.00 7.99 N ATOM 61 CA LEU A 8 -8.175 17.661 17.641 1.00 7.79 C ATOM 62 C LEU A 8 -7.406 18.477 16.610 1.00 7.22 C ATOM 63 O LEU A 8 -6.403 18.001 16.079 1.00 9.57 O ATOM 64 CB LEU A 8 -7.290 17.386 18.852 1.00 8.04 C ATOM 65 CG LEU A 8 -6.663 18.627 19.491 1.00 8.02 C ATOM 66 CD1 LEU A 8 -7.738 19.486 20.136 1.00 10.34 C ATOM 67 CD2 LEU A 8 -5.611 18.248 20.535 1.00 10.67 C ATOM 0 H LEU A 8 -8.048 15.766 17.079 1.00 7.99 H new ATOM 0 HA LEU A 8 -8.952 18.163 17.934 1.00 7.79 H new ATOM 0 HB2 LEU A 8 -7.817 16.925 19.523 1.00 8.04 H new ATOM 0 HB3 LEU A 8 -6.579 16.782 18.586 1.00 8.04 H new ATOM 0 HG LEU A 8 -6.225 19.131 18.787 1.00 8.02 H new ATOM 0 HD11 LEU A 8 -7.329 20.269 20.537 1.00 10.34 H new ATOM 0 HD12 LEU A 8 -8.377 19.765 19.462 1.00 10.34 H new ATOM 0 HD13 LEU A 8 -8.195 18.973 20.821 1.00 10.34 H new ATOM 0 HD21 LEU A 8 -5.233 19.054 20.921 1.00 10.67 H new ATOM 0 HD22 LEU A 8 -6.025 17.718 21.234 1.00 10.67 H new ATOM 0 HD23 LEU A 8 -4.907 17.731 20.113 1.00 10.67 H new ATOM 68 N ALA A 9 -7.872 19.697 16.331 1.00 6.66 N ATOM 69 CA ALA A 9 -7.164 20.628 15.446 1.00 8.17 C ATOM 70 C ALA A 9 -6.442 21.645 16.327 1.00 7.05 C ATOM 71 O ALA A 9 -7.039 22.606 16.819 1.00 8.35 O ATOM 72 CB ALA A 9 -8.125 21.303 14.468 1.00 7.63 C ATOM 0 H ALA A 9 -8.608 20.008 16.650 1.00 6.66 H new ATOM 0 HA ALA A 9 -6.519 20.151 14.901 1.00 8.17 H new ATOM 0 HB1 ALA A 9 -7.631 21.912 13.897 1.00 7.63 H new ATOM 0 HB2 ALA A 9 -8.559 20.628 13.923 1.00 7.63 H new ATOM 0 HB3 ALA A 9 -8.796 21.798 14.963 1.00 7.63 H new ATOM 73 N PHE A 10 -5.148 21.425 16.527 1.00 6.65 N ATOM 74 CA PHE A 10 -4.345 22.172 17.499 1.00 5.66 C ATOM 75 C PHE A 10 -3.422 23.104 16.719 1.00 6.46 C ATOM 76 O PHE A 10 -2.435 22.653 16.134 1.00 7.77 O ATOM 77 CB PHE A 10 -3.565 21.189 18.370 1.00 6.68 C ATOM 78 CG PHE A 10 -2.914 21.813 19.573 1.00 7.58 C ATOM 79 CD1 PHE A 10 -3.665 22.160 20.689 1.00 8.16 C ATOM 80 CD2 PHE A 10 -1.539 22.034 19.595 1.00 8.29 C ATOM 81 CE1 PHE A 10 -3.057 22.740 21.805 1.00 9.94 C ATOM 82 CE2 PHE A 10 -0.928 22.607 20.706 1.00 8.73 C ATOM 83 CZ PHE A 10 -1.682 22.960 21.807 1.00 7.49 C ATOM 0 H PHE A 10 -4.701 20.829 16.097 1.00 6.65 H new ATOM 0 HA PHE A 10 -4.901 22.703 18.091 1.00 5.66 H new ATOM 0 HB2 PHE A 10 -4.166 20.488 18.667 1.00 6.68 H new ATOM 0 HB3 PHE A 10 -2.881 20.765 17.828 1.00 6.68 H new ATOM 0 HD1 PHE A 10 -4.582 22.005 20.693 1.00 8.16 H new ATOM 0 HD2 PHE A 10 -1.023 21.796 18.859 1.00 8.29 H new ATOM 0 HE1 PHE A 10 -3.569 22.978 22.544 1.00 9.94 H new ATOM 0 HE2 PHE A 10 -0.009 22.752 20.707 1.00 8.73 H new ATOM 0 HZ PHE A 10 -1.273 23.344 22.549 1.00 7.49 H new ATOM 84 N GLY A 11 -3.735 24.395 16.696 1.00 6.81 N ATOM 85 CA GLY A 11 -2.973 25.298 15.863 1.00 8.53 C ATOM 86 C GLY A 11 -3.156 26.756 16.217 1.00 7.17 C ATOM 87 O GLY A 11 -3.492 27.102 17.350 1.00 7.59 O ATOM 0 H GLY A 11 -4.372 24.757 17.147 1.00 6.81 H new ATOM 0 HA2 GLY A 11 -2.032 25.073 15.933 1.00 8.53 H new ATOM 0 HA3 GLY A 11 -3.229 25.164 14.937 1.00 8.53 H new ATOM 88 N ASP A 12 -2.892 27.609 15.228 1.00 7.85 N ATOM 89 CA ASP A 12 -2.893 29.051 15.450 1.00 6.49 C ATOM 90 C ASP A 12 -3.986 29.719 14.618 1.00 9.16 C ATOM 91 O ASP A 12 -5.084 29.168 14.508 1.00 9.83 O ATOM 92 CB ASP A 12 -1.496 29.617 15.167 1.00 7.83 C ATOM 93 CG ASP A 12 -0.968 29.242 13.789 1.00 9.78 C ATOM 94 OD1 ASP A 12 -1.773 29.040 12.857 1.00 9.49 O ATOM 95 OD2 ASP A 12 0.268 29.184 13.627 1.00 9.53 O ATOM 0 H ASP A 12 -2.710 27.371 14.422 1.00 7.85 H new ATOM 0 HA ASP A 12 -3.099 29.243 16.378 1.00 6.49 H new ATOM 0 HB2 ASP A 12 -1.522 30.583 15.245 1.00 7.83 H new ATOM 0 HB3 ASP A 12 -0.879 29.294 15.843 1.00 7.83 H new ATOM 96 N ASER A 13 -3.711 30.891 14.037 0.49 10.94 N ATOM 97 N BSER A 13 -3.707 30.895 14.042 0.51 10.93 N ATOM 98 CA ASER A 13 -4.757 31.600 13.300 0.49 11.34 C ATOM 99 CA BSER A 13 -4.739 31.610 13.290 0.51 11.34 C ATOM 100 C ASER A 13 -5.244 30.816 12.086 0.49 10.08 C ATOM 101 C BSER A 13 -5.244 30.809 12.096 0.51 10.07 C ATOM 102 O ASER A 13 -6.381 31.015 11.639 0.49 12.14 O ATOM 103 O BSER A 13 -6.394 30.989 11.673 0.51 12.14 O ATOM 104 CB ASER A 13 -4.262 32.978 12.862 0.49 13.97 C ATOM 105 CB BSER A 13 -4.215 32.966 12.813 0.51 14.01 C ATOM 106 OG ASER A 13 -3.221 32.858 11.909 0.49 19.93 O ATOM 107 OG BSER A 13 -4.044 33.869 13.892 0.51 17.75 O ATOM 0 H ASER A 13 -2.946 31.283 14.057 0.49 10.93 H new ATOM 0 H BSER A 13 -2.942 31.287 14.075 0.51 10.93 H new ATOM 0 HA ASER A 13 -5.509 31.701 13.905 0.49 11.34 H new ATOM 0 HA BSER A 13 -5.485 31.743 13.896 0.51 11.34 H new ATOM 0 HB2ASER A 13 -4.997 33.485 12.483 0.49 14.01 H new ATOM 0 HB2BSER A 13 -3.369 32.844 12.355 0.51 14.01 H new ATOM 0 HB3ASER A 13 -3.945 33.473 13.634 0.49 14.01 H new ATOM 0 HB3BSER A 13 -4.834 33.344 12.169 0.51 14.01 H new ATOM 0 HG ASER A 13 -2.748 33.552 11.921 0.49 17.75 H new ATOM 0 HG BSER A 13 -3.288 33.752 14.238 0.51 17.75 H new ATOM 108 N LEU A 14 -4.412 29.928 11.533 1.00 9.41 N ATOM 109 CA LEU A 14 -4.841 29.145 10.376 1.00 9.90 C ATOM 110 C LEU A 14 -5.897 28.115 10.740 1.00 11.99 C ATOM 111 O LEU A 14 -6.644 27.671 9.861 1.00 13.60 O ATOM 112 CB LEU A 14 -3.652 28.446 9.714 1.00 11.01 C ATOM 113 CG LEU A 14 -2.534 29.378 9.260 1.00 18.45 C ATOM 114 CD1 LEU A 14 -1.441 28.566 8.607 1.00 18.27 C ATOM 115 CD2 LEU A 14 -3.084 30.408 8.294 1.00 26.53 C ATOM 0 H ALEU A 14 -3.613 29.768 11.807 0.49 9.41 H new ATOM 0 H BLEU A 14 -3.610 29.772 11.801 0.51 9.41 H new ATOM 0 HA LEU A 14 -5.234 29.772 9.749 1.00 9.90 H new ATOM 0 HB2 LEU A 14 -3.284 27.800 10.338 1.00 11.01 H new ATOM 0 HB3 LEU A 14 -3.973 27.948 8.946 1.00 11.01 H new ATOM 0 HG LEU A 14 -2.164 29.844 10.026 1.00 18.45 H new ATOM 0 HD11 LEU A 14 -0.728 29.157 8.317 1.00 18.27 H new ATOM 0 HD12 LEU A 14 -1.090 27.924 9.244 1.00 18.27 H new ATOM 0 HD13 LEU A 14 -1.802 28.095 7.840 1.00 18.27 H new ATOM 0 HD21 LEU A 14 -2.369 30.998 8.008 1.00 26.53 H new ATOM 0 HD22 LEU A 14 -3.460 29.959 7.521 1.00 26.53 H new ATOM 0 HD23 LEU A 14 -3.775 30.927 8.734 1.00 26.53 H new ATOM 116 N PHE A 15 -5.955 27.696 12.002 1.00 8.57 N ATOM 117 CA PHE A 15 -7.050 26.861 12.463 1.00 9.10 C ATOM 118 C PHE A 15 -8.165 27.665 13.119 1.00 10.48 C ATOM 119 O PHE A 15 -9.333 27.306 12.970 1.00 12.17 O ATOM 120 CB PHE A 15 -6.542 25.807 13.450 1.00 10.17 C ATOM 121 CG PHE A 15 -5.864 24.621 12.800 1.00 7.51 C ATOM 122 CD1 PHE A 15 -5.696 24.538 11.415 1.00 7.22 C ATOM 123 CD2 PHE A 15 -5.389 23.586 13.592 1.00 7.75 C ATOM 124 CE1 PHE A 15 -5.062 23.430 10.841 1.00 8.61 C ATOM 125 CE2 PHE A 15 -4.762 22.487 13.036 1.00 9.16 C ATOM 126 CZ PHE A 15 -4.606 22.399 11.658 1.00 8.98 C ATOM 0 H PHE A 15 -5.370 27.886 12.603 1.00 8.57 H new ATOM 0 HA PHE A 15 -7.418 26.431 11.675 1.00 9.10 H new ATOM 0 HB2 PHE A 15 -5.918 26.227 14.063 1.00 10.17 H new ATOM 0 HB3 PHE A 15 -7.289 25.489 13.980 1.00 10.17 H new ATOM 0 HD1 PHE A 15 -6.008 25.224 10.870 1.00 7.22 H new ATOM 0 HD2 PHE A 15 -5.494 23.633 14.515 1.00 7.75 H new ATOM 0 HE1 PHE A 15 -4.946 23.383 9.919 1.00 8.61 H new ATOM 0 HE2 PHE A 15 -4.444 21.806 13.584 1.00 9.16 H new ATOM 0 HZ PHE A 15 -4.198 21.653 11.282 1.00 8.98 H new ATOM 127 N ALA A 16 -7.838 28.756 13.826 1.00 10.19 N ATOM 128 CA ALA A 16 -8.879 29.556 14.478 1.00 11.80 C ATOM 129 C ALA A 16 -9.845 30.165 13.471 1.00 14.21 C ATOM 130 O ALA A 16 -10.997 30.454 13.817 1.00 17.49 O ATOM 131 CB ALA A 16 -8.254 30.664 15.324 1.00 13.64 C ATOM 0 H ALA A 16 -7.035 29.043 13.937 1.00 10.19 H new ATOM 0 HA ALA A 16 -9.381 28.955 15.051 1.00 11.80 H new ATOM 0 HB1 ALA A 16 -8.956 31.183 15.748 1.00 13.64 H new ATOM 0 HB2 ALA A 16 -7.687 30.270 16.006 1.00 13.64 H new ATOM 0 HB3 ALA A 16 -7.722 31.243 14.757 1.00 13.64 H new ATOM 132 N GLY A 17 -9.400 30.383 12.238 1.00 15.36 N ATOM 133 CA GLY A 17 -10.233 31.038 11.249 1.00 14.06 C ATOM 134 C GLY A 17 -10.209 32.546 11.343 1.00 18.50 C ATOM 135 O GLY A 17 -11.249 33.195 11.168 1.00 18.34 O ATOM 0 H GLY A 17 -8.619 30.158 11.958 1.00 15.36 H new ATOM 0 HA2 GLY A 17 -9.941 30.772 10.363 1.00 14.06 H new ATOM 0 HA3 GLY A 17 -11.147 30.729 11.351 1.00 14.06 H new ATOM 136 N TYR A 18 -9.046 33.125 11.622 1.00 18.93 N ATOM 137 CA TYR A 18 -8.920 34.569 11.755 1.00 20.69 C ATOM 138 C TYR A 18 -9.439 35.291 10.517 1.00 20.93 C ATOM 139 O TYR A 18 -9.048 34.979 9.388 1.00 21.56 O ATOM 140 CB TYR A 18 -7.454 34.931 11.985 1.00 22.38 C ATOM 141 CG TYR A 18 -7.260 36.349 12.446 1.00 28.61 C ATOM 142 CD1 TYR A 18 -7.412 36.686 13.781 1.00 32.69 C ATOM 143 CD2 TYR A 18 -6.926 37.350 11.548 1.00 33.90 C ATOM 144 CE1 TYR A 18 -7.233 37.983 14.211 1.00 43.85 C ATOM 145 CE2 TYR A 18 -6.747 38.651 11.965 1.00 32.67 C ATOM 146 CZ TYR A 18 -6.898 38.960 13.297 1.00 41.67 C ATOM 147 OH TYR A 18 -6.717 40.252 13.723 1.00 59.26 O ATOM 0 H TYR A 18 -8.312 32.693 11.739 1.00 18.93 H new ATOM 0 HA TYR A 18 -9.456 34.852 12.512 1.00 20.69 H new ATOM 0 HB2 TYR A 18 -7.078 34.328 12.645 1.00 22.38 H new ATOM 0 HB3 TYR A 18 -6.960 34.794 11.162 1.00 22.38 H new ATOM 0 HD1 TYR A 18 -7.638 36.027 14.397 1.00 32.69 H new ATOM 0 HD2 TYR A 18 -6.821 37.140 10.648 1.00 33.90 H new ATOM 0 HE1 TYR A 18 -7.337 38.198 15.110 1.00 43.85 H new ATOM 0 HE2 TYR A 18 -6.526 39.314 11.352 1.00 32.67 H new ATOM 0 HH TYR A 18 -6.517 40.738 13.068 1.00 59.26 H new ATOM 148 N GLY A 19 -10.328 36.262 10.735 1.00 18.47 N ATOM 149 CA GLY A 19 -10.865 37.066 9.652 1.00 20.58 C ATOM 150 C GLY A 19 -12.034 36.455 8.912 1.00 25.39 C ATOM 151 O GLY A 19 -12.540 37.075 7.969 1.00 27.75 O ATOM 0 H GLY A 19 -10.632 36.468 11.513 1.00 18.47 H new ATOM 0 HA2 GLY A 19 -11.141 37.923 10.012 1.00 20.58 H new ATOM 0 HA3 GLY A 19 -10.154 37.241 9.016 1.00 20.58 H new ATOM 152 N LEU A 20 -12.493 35.275 9.312 1.00 19.59 N ATOM 153 CA LEU A 20 -13.546 34.566 8.607 1.00 21.66 C ATOM 154 C LEU A 20 -14.808 34.506 9.453 1.00 25.84 C ATOM 155 O LEU A 20 -14.785 34.721 10.669 1.00 26.45 O ATOM 156 CB LEU A 20 -13.103 33.145 8.247 1.00 18.82 C ATOM 157 CG LEU A 20 -11.835 33.043 7.404 1.00 16.43 C ATOM 158 CD1 LEU A 20 -11.493 31.585 7.174 1.00 16.48 C ATOM 159 CD2 LEU A 20 -11.973 33.786 6.076 1.00 18.29 C ATOM 0 H LEU A 20 -12.198 34.862 10.006 1.00 19.59 H new ATOM 0 HA LEU A 20 -13.733 35.052 7.789 1.00 21.66 H new ATOM 0 HB2 LEU A 20 -12.967 32.648 9.069 1.00 18.82 H new ATOM 0 HB3 LEU A 20 -13.826 32.709 7.769 1.00 18.82 H new ATOM 0 HG LEU A 20 -11.112 33.468 7.891 1.00 16.43 H new ATOM 0 HD11 LEU A 20 -10.687 31.522 6.638 1.00 16.48 H new ATOM 0 HD12 LEU A 20 -11.348 31.148 8.028 1.00 16.48 H new ATOM 0 HD13 LEU A 20 -12.225 31.150 6.709 1.00 16.48 H new ATOM 0 HD21 LEU A 20 -11.150 33.699 5.569 1.00 18.29 H new ATOM 0 HD22 LEU A 20 -12.707 33.407 5.568 1.00 18.29 H new ATOM 0 HD23 LEU A 20 -12.149 34.724 6.247 1.00 18.29 H new ATOM 160 N ASP A 21 -15.914 34.188 8.787 1.00 29.39 N ATOM 161 CA ASP A 21 -17.196 34.070 9.456 1.00 31.81 C ATOM 162 C ASP A 21 -17.381 32.666 10.032 1.00 34.36 C ATOM 163 O ASP A 21 -16.541 31.773 9.876 1.00 25.84 O ATOM 164 CB ASP A 21 -18.338 34.416 8.498 1.00 34.74 C ATOM 165 CG ASP A 21 -18.355 35.882 8.111 1.00 46.86 C ATOM 166 OD1 ASP A 21 -17.920 36.723 8.928 1.00 53.93 O ATOM 167 OD2 ASP A 21 -18.806 36.195 6.988 1.00 53.14 O ATOM 0 H ASP A 21 -15.939 34.036 7.941 1.00 29.39 H new ATOM 0 HA ASP A 21 -17.213 34.702 10.191 1.00 31.81 H new ATOM 0 HB2 ASP A 21 -18.258 33.875 7.697 1.00 34.74 H new ATOM 0 HB3 ASP A 21 -19.184 34.185 8.913 1.00 34.74 H new ATOM 168 N LYS A 22 -18.514 32.486 10.705 1.00 37.70 N ATOM 169 CA LYS A 22 -18.876 31.224 11.335 1.00 35.04 C ATOM 170 C LYS A 22 -18.856 30.099 10.306 1.00 31.68 C ATOM 171 O LYS A 22 -19.461 30.209 9.232 1.00 31.34 O ATOM 172 CB LYS A 22 -20.280 31.324 11.953 1.00 34.98 C ATOM 173 CG LYS A 22 -20.410 32.106 13.280 1.00 48.43 C ATOM 174 CD LYS A 22 -19.836 33.524 13.221 1.00 51.00 C ATOM 175 CE LYS A 22 -20.536 34.388 12.174 1.00 53.49 C ATOM 176 NZ LYS A 22 -19.736 35.607 11.867 1.00 47.78 N ATOM 0 H LYS A 22 -19.102 33.105 10.809 1.00 37.70 H new ATOM 0 HA LYS A 22 -18.231 31.032 12.033 1.00 35.04 H new ATOM 0 HB2 LYS A 22 -20.867 31.737 11.301 1.00 34.98 H new ATOM 0 HB3 LYS A 22 -20.609 30.424 12.101 1.00 34.98 H new ATOM 0 HG2 LYS A 22 -21.347 32.156 13.526 1.00 48.43 H new ATOM 0 HG3 LYS A 22 -19.958 31.612 13.982 1.00 48.43 H new ATOM 0 HD2 LYS A 22 -19.921 33.942 14.092 1.00 51.00 H new ATOM 0 HD3 LYS A 22 -18.888 33.479 13.020 1.00 51.00 H new ATOM 0 HE2 LYS A 22 -20.672 33.873 11.363 1.00 53.49 H new ATOM 0 HE3 LYS A 22 -21.414 34.646 12.497 1.00 53.49 H new ATOM 0 HZ1 LYS A 22 -20.161 36.095 11.256 1.00 47.78 H new ATOM 0 HZ2 LYS A 22 -19.630 36.087 12.609 1.00 47.78 H new ATOM 0 HZ3 LYS A 22 -18.939 35.368 11.553 1.00 47.78 H new ATOM 177 N GLY A 23 -18.144 29.021 10.627 1.00 21.78 N ATOM 178 CA GLY A 23 -18.135 27.846 9.776 1.00 20.91 C ATOM 179 C GLY A 23 -17.212 27.906 8.578 1.00 13.94 C ATOM 180 O GLY A 23 -17.189 26.948 7.796 1.00 16.67 O ATOM 0 H GLY A 23 -17.660 28.954 11.335 1.00 21.78 H new ATOM 0 HA2 GLY A 23 -17.887 27.079 10.315 1.00 20.91 H new ATOM 0 HA3 GLY A 23 -19.038 27.690 9.459 1.00 20.91 H new ATOM 181 N GLU A 24 -16.457 28.992 8.402 1.00 13.99 N ATOM 182 CA GLU A 24 -15.536 29.106 7.277 1.00 12.29 C ATOM 183 C GLU A 24 -14.112 28.683 7.616 1.00 10.83 C ATOM 184 O GLU A 24 -13.280 28.610 6.708 1.00 11.81 O ATOM 185 CB GLU A 24 -15.520 30.546 6.745 1.00 15.30 C ATOM 186 CG GLU A 24 -16.858 30.983 6.152 1.00 20.81 C ATOM 187 CD GLU A 24 -16.833 32.391 5.593 1.00 29.14 C ATOM 188 OE1 GLU A 24 -16.067 33.233 6.109 1.00 21.34 O ATOM 189 OE2 GLU A 24 -17.585 32.654 4.631 1.00 24.59 O ATOM 0 H GLU A 24 -16.466 29.674 8.926 1.00 13.99 H new ATOM 0 HA GLU A 24 -15.865 28.496 6.598 1.00 12.29 H new ATOM 0 HB2 GLU A 24 -15.280 31.149 7.466 1.00 15.30 H new ATOM 0 HB3 GLU A 24 -14.831 30.627 6.067 1.00 15.30 H new ATOM 0 HG2 GLU A 24 -17.109 30.366 5.447 1.00 20.81 H new ATOM 0 HG3 GLU A 24 -17.543 30.925 6.837 1.00 20.81 H new ATOM 190 N SER A 25 -13.808 28.417 8.886 1.00 13.01 N ATOM 191 CA SER A 25 -12.446 28.068 9.269 1.00 9.28 C ATOM 192 C SER A 25 -12.041 26.718 8.686 1.00 9.58 C ATOM 193 O SER A 25 -12.875 25.874 8.351 1.00 10.48 O ATOM 194 CB SER A 25 -12.310 28.013 10.793 1.00 12.42 C ATOM 195 OG SER A 25 -12.916 26.839 11.318 1.00 13.18 O ATOM 0 H SER A 25 -14.373 28.433 9.535 1.00 13.01 H new ATOM 0 HA SER A 25 -11.860 28.756 8.915 1.00 9.28 H new ATOM 0 HB2 SER A 25 -11.372 28.034 11.038 1.00 12.42 H new ATOM 0 HB3 SER A 25 -12.723 28.798 11.186 1.00 12.42 H new ATOM 0 HG SER A 25 -12.544 26.631 12.042 1.00 13.18 H new ATOM 196 N TYR A 26 -10.725 26.513 8.593 1.00 10.06 N ATOM 197 CA TYR A 26 -10.211 25.243 8.086 1.00 8.78 C ATOM 198 C TYR A 26 -10.743 24.044 8.861 1.00 10.46 C ATOM 199 O TYR A 26 -11.182 23.079 8.217 1.00 9.32 O ATOM 200 CB TYR A 26 -8.674 25.281 8.055 1.00 8.89 C ATOM 201 CG TYR A 26 -8.061 23.953 7.669 1.00 6.59 C ATOM 202 CD1 TYR A 26 -7.865 23.605 6.328 1.00 6.18 C ATOM 203 CD2 TYR A 26 -7.684 23.039 8.643 1.00 8.22 C ATOM 204 CE1 TYR A 26 -7.325 22.383 5.978 1.00 7.97 C ATOM 205 CE2 TYR A 26 -7.137 21.819 8.307 1.00 7.51 C ATOM 206 CZ TYR A 26 -6.961 21.488 6.973 1.00 6.61 C ATOM 207 OH TYR A 26 -6.414 20.256 6.666 1.00 8.75 O ATOM 0 H TYR A 26 -10.124 27.087 8.815 1.00 10.06 H new ATOM 0 HA TYR A 26 -10.535 25.127 7.179 1.00 8.78 H new ATOM 0 HB2 TYR A 26 -8.384 25.961 7.427 1.00 8.89 H new ATOM 0 HB3 TYR A 26 -8.344 25.543 8.929 1.00 8.89 H new ATOM 0 HD1 TYR A 26 -8.103 24.207 5.660 1.00 6.18 H new ATOM 0 HD2 TYR A 26 -7.803 23.254 9.540 1.00 8.22 H new ATOM 0 HE1 TYR A 26 -7.206 22.162 5.082 1.00 7.97 H new ATOM 0 HE2 TYR A 26 -6.887 21.220 8.973 1.00 7.51 H new ATOM 0 HH TYR A 26 -6.249 19.838 7.376 1.00 8.75 H new ATOM 208 N PRO A 27 -10.749 24.020 10.202 1.00 9.56 N ATOM 209 CA PRO A 27 -11.307 22.840 10.881 1.00 7.11 C ATOM 210 C PRO A 27 -12.771 22.589 10.560 1.00 7.65 C ATOM 211 O PRO A 27 -13.152 21.425 10.369 1.00 10.63 O ATOM 212 CB PRO A 27 -11.079 23.156 12.368 1.00 9.14 C ATOM 213 CG PRO A 27 -9.833 24.018 12.340 1.00 11.67 C ATOM 214 CD PRO A 27 -10.059 24.912 11.148 1.00 9.63 C ATOM 0 HA PRO A 27 -10.881 22.017 10.593 1.00 7.11 H new ATOM 0 HB2 PRO A 27 -11.833 23.626 12.756 1.00 9.14 H new ATOM 0 HB3 PRO A 27 -10.948 22.350 12.891 1.00 9.14 H new ATOM 0 HG2 PRO A 27 -9.733 24.530 13.158 1.00 11.67 H new ATOM 0 HG3 PRO A 27 -9.030 23.484 12.240 1.00 11.67 H new ATOM 0 HD2 PRO A 27 -10.600 25.685 11.374 1.00 9.63 H new ATOM 0 HD3 PRO A 27 -9.224 25.246 10.785 1.00 9.63 H new ATOM 215 N ALA A 28 -13.589 23.643 10.482 1.00 9.96 N ATOM 216 CA ALA A 28 -15.009 23.468 10.189 1.00 10.07 C ATOM 217 C ALA A 28 -15.215 22.942 8.775 1.00 10.69 C ATOM 218 O ALA A 28 -16.020 22.028 8.554 1.00 12.35 O ATOM 219 CB ALA A 28 -15.749 24.792 10.383 1.00 11.98 C ATOM 0 H ALA A 28 -13.342 24.459 10.595 1.00 9.96 H new ATOM 0 HA ALA A 28 -15.371 22.812 10.805 1.00 10.07 H new ATOM 0 HB1 ALA A 28 -16.691 24.668 10.187 1.00 11.98 H new ATOM 0 HB2 ALA A 28 -15.647 25.089 11.301 1.00 11.98 H new ATOM 0 HB3 ALA A 28 -15.380 25.460 9.785 1.00 11.98 H new ATOM 220 N LYS A 29 -14.470 23.476 7.804 1.00 10.02 N ATOM 221 CA LYS A 29 -14.652 23.016 6.432 1.00 10.17 C ATOM 222 C LYS A 29 -14.030 21.641 6.219 1.00 10.18 C ATOM 223 O LYS A 29 -14.537 20.845 5.417 1.00 10.80 O ATOM 224 CB LYS A 29 -14.067 24.044 5.461 1.00 10.98 C ATOM 225 CG LYS A 29 -14.898 25.334 5.340 1.00 10.73 C ATOM 226 CD LYS A 29 -16.294 25.030 4.771 1.00 17.56 C ATOM 227 CE LYS A 29 -17.104 26.297 4.511 1.00 18.68 C ATOM 228 NZ LYS A 29 -16.560 27.139 3.397 1.00 19.15 N ATOM 0 H LYS A 29 -13.874 24.085 7.915 1.00 10.02 H new ATOM 0 HA LYS A 29 -15.602 22.928 6.259 1.00 10.17 H new ATOM 0 HB2 LYS A 29 -13.170 24.274 5.750 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -13.987 23.638 4.584 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -14.983 25.752 6.211 1.00 10.73 H new ATOM 0 HG3 LYS A 29 -14.440 25.967 4.765 1.00 10.73 H new ATOM 0 HD2 LYS A 29 -16.202 24.532 3.944 1.00 17.56 H new ATOM 0 HD3 LYS A 29 -16.777 24.462 5.391 1.00 17.56 H new ATOM 0 HE2 LYS A 29 -18.019 26.050 4.303 1.00 18.68 H new ATOM 0 HE3 LYS A 29 -17.131 26.827 5.323 1.00 18.68 H new ATOM 0 HZ1 LYS A 29 -17.163 27.752 3.166 1.00 19.15 H new ATOM 0 HZ2 LYS A 29 -15.815 27.543 3.667 1.00 19.15 H new ATOM 0 HZ3 LYS A 29 -16.379 26.622 2.695 1.00 19.15 H new ATOM 229 N LEU A 30 -12.935 21.338 6.925 1.00 7.64 N ATOM 230 CA LEU A 30 -12.372 19.995 6.880 1.00 7.85 C ATOM 231 C LEU A 30 -13.362 18.967 7.425 1.00 8.04 C ATOM 232 O LEU A 30 -13.504 17.875 6.866 1.00 10.19 O ATOM 233 CB LEU A 30 -11.057 19.963 7.669 1.00 8.84 C ATOM 234 CG LEU A 30 -10.416 18.596 7.904 1.00 8.08 C ATOM 235 CD1 LEU A 30 -9.991 17.950 6.582 1.00 9.33 C ATOM 236 CD2 LEU A 30 -9.219 18.735 8.850 1.00 9.81 C ATOM 0 H LEU A 30 -12.511 21.892 7.429 1.00 7.64 H new ATOM 0 HA LEU A 30 -12.191 19.761 5.956 1.00 7.85 H new ATOM 0 HB2 LEU A 30 -10.414 20.521 7.204 1.00 8.84 H new ATOM 0 HB3 LEU A 30 -11.215 20.373 8.534 1.00 8.84 H new ATOM 0 HG LEU A 30 -11.075 18.015 8.316 1.00 8.08 H new ATOM 0 HD11 LEU A 30 -9.588 17.086 6.759 1.00 9.33 H new ATOM 0 HD12 LEU A 30 -10.768 17.834 6.014 1.00 9.33 H new ATOM 0 HD13 LEU A 30 -9.347 18.521 6.135 1.00 9.33 H new ATOM 0 HD21 LEU A 30 -8.818 17.864 8.994 1.00 9.81 H new ATOM 0 HD22 LEU A 30 -8.563 19.332 8.457 1.00 9.81 H new ATOM 0 HD23 LEU A 30 -9.517 19.098 9.699 1.00 9.81 H new ATOM 237 N GLU A 31 -14.054 19.301 8.515 1.00 8.57 N ATOM 238 CA GLU A 31 -15.046 18.383 9.066 1.00 9.34 C ATOM 239 C GLU A 31 -16.095 18.020 8.022 1.00 10.12 C ATOM 240 O GLU A 31 -16.440 16.842 7.851 1.00 12.12 O ATOM 241 CB GLU A 31 -15.692 19.012 10.291 1.00 12.47 C ATOM 242 CG GLU A 31 -16.600 18.082 11.028 1.00 12.00 C ATOM 243 CD GLU A 31 -17.252 18.771 12.180 1.00 15.21 C ATOM 244 OE1 GLU A 31 -16.551 19.092 13.165 1.00 14.16 O ATOM 245 OE2 GLU A 31 -18.474 19.019 12.093 1.00 16.76 O ATOM 0 H GLU A 31 -13.965 20.042 8.943 1.00 8.57 H new ATOM 0 HA GLU A 31 -14.603 17.561 9.329 1.00 9.34 H new ATOM 0 HB2 GLU A 31 -14.996 19.319 10.893 1.00 12.47 H new ATOM 0 HB3 GLU A 31 -16.195 19.795 10.017 1.00 12.47 H new ATOM 0 HG2 GLU A 31 -17.279 17.742 10.424 1.00 12.00 H new ATOM 0 HG3 GLU A 31 -16.095 17.318 11.348 1.00 12.00 H new ATOM 246 N THR A 32 -16.597 19.020 7.296 1.00 9.78 N ATOM 247 CA THR A 32 -17.598 18.734 6.276 1.00 12.60 C ATOM 248 C THR A 32 -17.004 17.912 5.140 1.00 11.51 C ATOM 249 O THR A 32 -17.641 16.975 4.648 1.00 12.43 O ATOM 250 CB THR A 32 -18.195 20.036 5.758 1.00 11.75 C ATOM 251 OG1 THR A 32 -18.833 20.711 6.845 1.00 16.06 O ATOM 252 CG2 THR A 32 -19.219 19.756 4.664 1.00 19.21 C ATOM 0 H THR A 32 -16.377 19.848 7.376 1.00 9.78 H new ATOM 0 HA THR A 32 -18.306 18.205 6.675 1.00 12.60 H new ATOM 0 HB THR A 32 -17.489 20.587 5.386 1.00 11.75 H new ATOM 0 HG1 THR A 32 -18.780 21.541 6.729 1.00 16.06 H new ATOM 0 HG21 THR A 32 -19.589 20.594 4.345 1.00 19.21 H new ATOM 0 HG22 THR A 32 -18.789 19.293 3.929 1.00 19.21 H new ATOM 0 HG23 THR A 32 -19.932 19.203 5.021 1.00 19.21 H new ATOM 253 N ALA A 33 -15.770 18.224 4.731 1.00 9.56 N ATOM 254 CA ALA A 33 -15.166 17.515 3.611 1.00 8.90 C ATOM 255 C ALA A 33 -14.918 16.047 3.923 1.00 10.45 C ATOM 256 O ALA A 33 -14.968 15.207 3.019 1.00 12.55 O ATOM 257 CB ALA A 33 -13.846 18.179 3.217 1.00 11.15 C ATOM 0 H ALA A 33 -15.277 18.833 5.085 1.00 9.56 H new ATOM 0 HA ALA A 33 -15.795 17.560 2.874 1.00 8.90 H new ATOM 0 HB1 ALA A 33 -13.452 17.700 2.471 1.00 11.15 H new ATOM 0 HB2 ALA A 33 -14.011 19.099 2.959 1.00 11.15 H new ATOM 0 HB3 ALA A 33 -13.236 18.160 3.971 1.00 11.15 H new ATOM 258 N LEU A 34 -14.659 15.710 5.186 1.00 9.62 N ATOM 259 CA LEU A 34 -14.388 14.322 5.525 1.00 9.19 C ATOM 260 C LEU A 34 -15.599 13.427 5.291 1.00 9.46 C ATOM 261 O LEU A 34 -15.428 12.212 5.166 1.00 9.83 O ATOM 262 CB LEU A 34 -13.914 14.219 6.981 1.00 9.68 C ATOM 263 CG LEU A 34 -12.490 14.738 7.170 1.00 11.04 C ATOM 264 CD1 LEU A 34 -12.158 14.781 8.649 1.00 10.11 C ATOM 265 CD2 LEU A 34 -11.460 13.885 6.428 1.00 12.60 C ATOM 0 H LEU A 34 -14.636 16.260 5.847 1.00 9.62 H new ATOM 0 HA LEU A 34 -13.684 14.008 4.936 1.00 9.19 H new ATOM 0 HB2 LEU A 34 -14.517 14.722 7.551 1.00 9.68 H new ATOM 0 HB3 LEU A 34 -13.959 13.293 7.268 1.00 9.68 H new ATOM 0 HG LEU A 34 -12.449 15.631 6.794 1.00 11.04 H new ATOM 0 HD11 LEU A 34 -11.254 15.111 8.768 1.00 10.11 H new ATOM 0 HD12 LEU A 34 -12.779 15.371 9.103 1.00 10.11 H new ATOM 0 HD13 LEU A 34 -12.228 13.889 9.023 1.00 10.11 H new ATOM 0 HD21 LEU A 34 -10.573 14.249 6.574 1.00 12.60 H new ATOM 0 HD22 LEU A 34 -11.495 12.974 6.760 1.00 12.60 H new ATOM 0 HD23 LEU A 34 -11.659 13.891 5.479 1.00 12.60 H new ATOM 266 N ARG A 35 -16.808 14.002 5.236 1.00 10.26 N ATOM 267 CA ARG A 35 -17.998 13.207 4.921 1.00 11.35 C ATOM 268 C ARG A 35 -17.815 12.443 3.621 1.00 15.34 C ATOM 269 O ARG A 35 -18.241 11.287 3.507 1.00 15.41 O ATOM 270 CB ARG A 35 -19.228 14.111 4.808 1.00 15.07 C ATOM 271 CG ARG A 35 -19.743 14.667 6.120 1.00 16.01 C ATOM 272 CD ARG A 35 -20.890 15.640 5.865 1.00 21.94 C ATOM 273 NE ARG A 35 -21.027 16.601 6.955 1.00 24.04 N ATOM 274 CZ ARG A 35 -21.833 17.656 6.924 1.00 36.17 C ATOM 275 NH1 ARG A 35 -22.579 17.891 5.853 1.00 32.79 N ATOM 276 NH2 ARG A 35 -21.891 18.477 7.966 1.00 42.22 N ATOM 0 H ARG A 35 -16.957 14.837 5.376 1.00 10.26 H new ATOM 0 HA ARG A 35 -18.128 12.571 5.642 1.00 11.35 H new ATOM 0 HB2 ARG A 35 -19.014 14.853 4.221 1.00 15.07 H new ATOM 0 HB3 ARG A 35 -19.942 13.610 4.383 1.00 15.07 H new ATOM 0 HG2 ARG A 35 -20.045 13.942 6.690 1.00 16.01 H new ATOM 0 HG3 ARG A 35 -19.026 15.119 6.592 1.00 16.01 H new ATOM 0 HD2 ARG A 35 -20.736 16.113 5.032 1.00 21.94 H new ATOM 0 HD3 ARG A 35 -21.718 15.146 5.761 1.00 21.94 H new ATOM 0 HE ARG A 35 -20.555 16.476 7.663 1.00 24.04 H new ATOM 0 HH11 ARG A 35 -22.541 17.360 5.178 1.00 32.79 H new ATOM 0 HH12 ARG A 35 -23.101 18.574 5.834 1.00 32.79 H new ATOM 0 HH21 ARG A 35 -21.407 18.325 8.660 1.00 42.22 H new ATOM 0 HH22 ARG A 35 -22.413 19.160 7.946 1.00 42.22 H new ATOM 277 N SER A 36 -17.183 13.081 2.629 1.00 15.00 N ATOM 278 CA SER A 36 -16.939 12.480 1.319 1.00 15.15 C ATOM 279 C SER A 36 -15.856 11.411 1.352 1.00 17.99 C ATOM 280 O SER A 36 -15.610 10.769 0.323 1.00 18.98 O ATOM 281 CB SER A 36 -16.541 13.554 0.298 1.00 16.73 C ATOM 282 OG SER A 36 -17.493 14.600 0.247 1.00 23.83 O ATOM 0 H SER A 36 -16.882 13.883 2.702 1.00 15.00 H new ATOM 0 HA SER A 36 -17.772 12.057 1.058 1.00 15.15 H new ATOM 0 HB2 SER A 36 -15.672 13.917 0.531 1.00 16.73 H new ATOM 0 HB3 SER A 36 -16.454 13.151 -0.580 1.00 16.73 H new ATOM 0 HG SER A 36 -17.393 15.103 0.912 1.00 23.83 H new ATOM 283 N HIS A 37 -15.180 11.233 2.485 1.00 14.16 N ATOM 284 CA HIS A 37 -14.240 10.148 2.697 1.00 13.91 C ATOM 285 C HIS A 37 -14.843 9.048 3.567 1.00 11.78 C ATOM 286 O HIS A 37 -14.108 8.201 4.088 1.00 14.41 O ATOM 287 CB HIS A 37 -12.947 10.689 3.318 1.00 14.10 C ATOM 288 CG HIS A 37 -12.256 11.721 2.477 1.00 13.66 C ATOM 289 ND1 HIS A 37 -11.071 11.471 1.817 1.00 16.80 N ATOM 290 CD2 HIS A 37 -12.587 13.000 2.179 1.00 13.94 C ATOM 291 CE1 HIS A 37 -10.700 12.550 1.153 1.00 13.28 C ATOM 292 NE2 HIS A 37 -11.604 13.492 1.351 1.00 15.57 N ATOM 0 H HIS A 37 -15.260 11.754 3.164 1.00 14.16 H new ATOM 0 HA HIS A 37 -14.033 9.753 1.836 1.00 13.91 H new ATOM 0 HB2 HIS A 37 -13.151 11.074 4.185 1.00 14.10 H new ATOM 0 HB3 HIS A 37 -12.338 9.950 3.472 1.00 14.10 H new ATOM 0 HD2 HIS A 37 -13.338 13.460 2.478 1.00 13.94 H new ATOM 0 HE1 HIS A 37 -9.933 12.633 0.634 1.00 13.28 H new ATOM 0 HE2 HIS A 37 -11.582 14.284 1.017 1.00 15.57 H new ATOM 293 N GLY A 38 -16.166 9.057 3.737 1.00 12.37 N ATOM 294 CA GLY A 38 -16.823 8.092 4.594 1.00 12.15 C ATOM 295 C GLY A 38 -16.651 8.325 6.075 1.00 12.38 C ATOM 296 O GLY A 38 -16.815 7.382 6.854 1.00 14.28 O ATOM 0 H GLY A 38 -16.696 9.619 3.360 1.00 12.37 H new ATOM 0 HA2 GLY A 38 -17.771 8.092 4.389 1.00 12.15 H new ATOM 0 HA3 GLY A 38 -16.486 7.208 4.379 1.00 12.15 H new ATOM 297 N ILE A 39 -16.338 9.551 6.496 1.00 11.67 N ATOM 298 CA ILE A 39 -16.036 9.864 7.892 1.00 9.73 C ATOM 299 C ILE A 39 -17.005 10.921 8.407 1.00 8.61 C ATOM 300 O ILE A 39 -17.139 12.002 7.817 1.00 10.73 O ATOM 301 CB ILE A 39 -14.586 10.358 8.059 1.00 9.57 C ATOM 302 CG1 ILE A 39 -13.590 9.282 7.647 1.00 11.55 C ATOM 303 CG2 ILE A 39 -14.345 10.828 9.504 1.00 12.15 C ATOM 304 CD1 ILE A 39 -12.205 9.854 7.298 1.00 13.70 C ATOM 0 H ILE A 39 -16.295 10.232 5.972 1.00 11.67 H new ATOM 0 HA ILE A 39 -16.136 9.050 8.409 1.00 9.73 H new ATOM 0 HB ILE A 39 -14.449 11.116 7.470 1.00 9.57 H new ATOM 0 HG12 ILE A 39 -13.498 8.639 8.368 1.00 11.55 H new ATOM 0 HG13 ILE A 39 -13.939 8.800 6.881 1.00 11.55 H new ATOM 0 HG21 ILE A 39 -13.430 11.136 9.596 1.00 12.15 H new ATOM 0 HG22 ILE A 39 -14.953 11.554 9.714 1.00 12.15 H new ATOM 0 HG23 ILE A 39 -14.500 10.090 10.115 1.00 12.15 H new ATOM 0 HD11 ILE A 39 -11.611 9.131 7.043 1.00 13.70 H new ATOM 0 HD12 ILE A 39 -12.289 10.478 6.560 1.00 13.70 H new ATOM 0 HD13 ILE A 39 -11.841 10.314 8.070 1.00 13.70 H new ATOM 305 N ASN A 40 -17.668 10.612 9.526 1.00 9.80 N ATOM 306 CA ASN A 40 -18.404 11.597 10.305 1.00 10.07 C ATOM 307 C ASN A 40 -17.485 12.007 11.445 1.00 10.70 C ATOM 308 O ASN A 40 -17.225 11.213 12.359 1.00 10.31 O ATOM 309 CB ASN A 40 -19.715 11.033 10.841 1.00 12.00 C ATOM 310 CG ASN A 40 -20.799 10.992 9.794 1.00 11.79 C ATOM 311 OD1 ASN A 40 -21.014 11.959 9.065 1.00 20.39 O ATOM 312 ND2 ASN A 40 -21.495 9.862 9.716 1.00 13.22 N ATOM 0 H ASN A 40 -17.700 9.817 9.852 1.00 9.80 H new ATOM 0 HA ASN A 40 -18.648 12.356 9.752 1.00 10.07 H new ATOM 0 HB2 ASN A 40 -19.563 10.137 11.180 1.00 12.00 H new ATOM 0 HB3 ASN A 40 -20.013 11.573 11.590 1.00 12.00 H new ATOM 0 HD21 ASN A 40 -22.126 9.785 9.137 1.00 13.22 H new ATOM 0 HD22 ASN A 40 -21.314 9.208 10.244 1.00 13.22 H new ATOM 313 N ALA A 41 -16.974 13.227 11.373 1.00 13.35 N ATOM 314 CA ALA A 41 -16.023 13.718 12.353 1.00 12.88 C ATOM 315 C ALA A 41 -16.621 14.860 13.155 1.00 14.91 C ATOM 316 O ALA A 41 -17.497 15.592 12.684 1.00 14.10 O ATOM 317 CB ALA A 41 -14.732 14.183 11.673 1.00 12.29 C ATOM 0 H ALA A 41 -17.169 13.792 10.755 1.00 13.35 H new ATOM 0 HA ALA A 41 -15.813 12.987 12.955 1.00 12.88 H new ATOM 0 HB1 ALA A 41 -14.111 14.507 12.344 1.00 12.29 H new ATOM 0 HB2 ALA A 41 -14.332 13.440 11.195 1.00 12.29 H new ATOM 0 HB3 ALA A 41 -14.934 14.897 11.049 1.00 12.29 H new ATOM 318 N ARG A 42 -16.147 14.982 14.390 1.00 9.83 N ATOM 319 CA ARG A 42 -16.306 16.184 15.191 1.00 9.03 C ATOM 320 C ARG A 42 -14.895 16.692 15.390 1.00 10.24 C ATOM 321 O ARG A 42 -14.080 16.032 16.047 1.00 11.28 O ATOM 322 CB ARG A 42 -16.982 15.906 16.533 1.00 13.31 C ATOM 323 CG ARG A 42 -16.915 17.096 17.471 1.00 16.43 C ATOM 324 CD ARG A 42 -17.794 16.921 18.709 1.00 19.27 C ATOM 325 NE ARG A 42 -17.223 16.054 19.740 1.00 18.16 N ATOM 326 CZ ARG A 42 -16.295 16.443 20.610 1.00 19.24 C ATOM 327 NH1 ARG A 42 -15.807 17.674 20.553 1.00 16.54 N ATOM 328 NH2 ARG A 42 -15.858 15.603 21.541 1.00 15.79 N ATOM 0 H ARG A 42 -15.716 14.355 14.791 1.00 9.83 H new ATOM 0 HA ARG A 42 -16.881 16.830 14.751 1.00 9.03 H new ATOM 0 HB2 ARG A 42 -17.910 15.668 16.382 1.00 13.31 H new ATOM 0 HB3 ARG A 42 -16.558 15.141 16.954 1.00 13.31 H new ATOM 0 HG2 ARG A 42 -15.996 17.233 17.748 1.00 16.43 H new ATOM 0 HG3 ARG A 42 -17.190 17.895 16.994 1.00 16.43 H new ATOM 0 HD2 ARG A 42 -17.966 17.794 19.095 1.00 19.27 H new ATOM 0 HD3 ARG A 42 -18.651 16.558 18.435 1.00 19.27 H new ATOM 0 HE ARG A 42 -17.505 15.243 19.786 1.00 18.16 H new ATOM 0 HH11 ARG A 42 -16.090 18.222 19.953 1.00 16.54 H new ATOM 0 HH12 ARG A 42 -15.207 17.925 21.116 1.00 16.54 H new ATOM 0 HH21 ARG A 42 -16.175 14.805 21.583 1.00 15.79 H new ATOM 0 HH22 ARG A 42 -15.258 15.857 22.102 1.00 15.79 H new ATOM 329 N ILE A 43 -14.591 17.823 14.788 1.00 10.61 N ATOM 330 CA ILE A 43 -13.256 18.393 14.880 1.00 8.77 C ATOM 331 C ILE A 43 -13.275 19.471 15.945 1.00 10.98 C ATOM 332 O ILE A 43 -14.011 20.458 15.828 1.00 15.61 O ATOM 333 CB ILE A 43 -12.786 18.933 13.526 1.00 8.91 C ATOM 334 CG1 ILE A 43 -12.812 17.784 12.511 1.00 10.54 C ATOM 335 CG2 ILE A 43 -11.383 19.542 13.664 1.00 10.74 C ATOM 336 CD1 ILE A 43 -12.091 18.068 11.186 1.00 12.51 C ATOM 0 H ILE A 43 -15.144 18.283 14.317 1.00 10.61 H new ATOM 0 HA ILE A 43 -12.619 17.706 15.130 1.00 8.77 H new ATOM 0 HB ILE A 43 -13.375 19.638 13.214 1.00 8.91 H new ATOM 0 HG12 ILE A 43 -12.411 17.001 12.920 1.00 10.54 H new ATOM 0 HG13 ILE A 43 -13.736 17.562 12.319 1.00 10.54 H new ATOM 0 HG21 ILE A 43 -11.091 19.882 12.804 1.00 10.74 H new ATOM 0 HG22 ILE A 43 -11.407 20.268 14.307 1.00 10.74 H new ATOM 0 HG23 ILE A 43 -10.763 18.861 13.969 1.00 10.74 H new ATOM 0 HD11 ILE A 43 -12.158 17.292 10.608 1.00 12.51 H new ATOM 0 HD12 ILE A 43 -12.502 18.831 10.750 1.00 12.51 H new ATOM 0 HD13 ILE A 43 -11.157 18.261 11.361 1.00 12.51 H new ATOM 337 N ILE A 44 -12.470 19.263 16.992 1.00 8.71 N ATOM 338 CA ILE A 44 -12.255 20.253 18.041 1.00 11.20 C ATOM 339 C ILE A 44 -11.394 21.367 17.471 1.00 10.43 C ATOM 340 O ILE A 44 -10.239 21.137 17.091 1.00 10.41 O ATOM 341 CB ILE A 44 -11.563 19.617 19.255 1.00 14.20 C ATOM 342 CG1 ILE A 44 -12.294 18.370 19.747 1.00 12.05 C ATOM 343 CG2 ILE A 44 -11.363 20.633 20.369 1.00 11.55 C ATOM 344 CD1 ILE A 44 -11.346 17.393 20.430 1.00 12.47 C ATOM 0 H ILE A 44 -12.031 18.533 17.110 1.00 8.71 H new ATOM 0 HA ILE A 44 -13.108 20.606 18.339 1.00 11.20 H new ATOM 0 HB ILE A 44 -10.685 19.325 18.965 1.00 14.20 H new ATOM 0 HG12 ILE A 44 -12.994 18.629 20.367 1.00 12.05 H new ATOM 0 HG13 ILE A 44 -12.726 17.931 18.998 1.00 12.05 H new ATOM 0 HG21 ILE A 44 -10.925 20.206 21.122 1.00 11.55 H new ATOM 0 HG22 ILE A 44 -10.812 21.363 20.046 1.00 11.55 H new ATOM 0 HG23 ILE A 44 -12.224 20.979 20.650 1.00 11.55 H new ATOM 0 HD11 ILE A 44 -11.843 16.615 20.729 1.00 12.47 H new ATOM 0 HD12 ILE A 44 -10.659 17.116 19.803 1.00 12.47 H new ATOM 0 HD13 ILE A 44 -10.931 17.824 21.194 1.00 12.47 H new ATOM 345 N ASN A 45 -11.941 22.571 17.396 1.00 9.03 N ATOM 346 CA ASN A 45 -11.142 23.698 16.927 1.00 9.28 C ATOM 347 C ASN A 45 -10.378 24.252 18.121 1.00 10.24 C ATOM 348 O ASN A 45 -10.892 25.063 18.900 1.00 12.33 O ATOM 349 CB ASN A 45 -11.989 24.766 16.249 1.00 11.42 C ATOM 350 CG ASN A 45 -11.131 25.776 15.517 1.00 12.43 C ATOM 351 OD1 ASN A 45 -9.987 26.023 15.909 1.00 12.74 O ATOM 352 ND2 ASN A 45 -11.658 26.347 14.450 1.00 11.85 N ATOM 0 H ASN A 45 -12.754 22.757 17.606 1.00 9.03 H new ATOM 0 HA ASN A 45 -10.521 23.396 16.246 1.00 9.28 H new ATOM 0 HB2 ASN A 45 -12.601 24.346 15.624 1.00 11.42 H new ATOM 0 HB3 ASN A 45 -12.530 25.221 16.913 1.00 11.42 H new ATOM 0 HD21 ASN A 45 -11.200 26.917 13.997 1.00 11.85 H new ATOM 0 HD22 ASN A 45 -12.459 26.149 14.208 1.00 11.85 H new ATOM 353 N ALA A 46 -9.133 23.810 18.257 1.00 8.63 N ATOM 354 CA ALA A 46 -8.220 24.323 19.269 1.00 9.17 C ATOM 355 C ALA A 46 -7.194 25.246 18.634 1.00 9.23 C ATOM 356 O ALA A 46 -6.029 25.276 19.037 1.00 10.29 O ATOM 357 CB ALA A 46 -7.546 23.173 20.012 1.00 9.91 C ATOM 0 H ALA A 46 -8.792 23.198 17.759 1.00 8.63 H new ATOM 0 HA ALA A 46 -8.727 24.838 19.916 1.00 9.17 H new ATOM 0 HB1 ALA A 46 -6.942 23.530 20.682 1.00 9.91 H new ATOM 0 HB2 ALA A 46 -8.221 22.627 20.444 1.00 9.91 H new ATOM 0 HB3 ALA A 46 -7.046 22.630 19.383 1.00 9.91 H new ATOM 358 N GLY A 47 -7.609 25.998 17.615 1.00 9.89 N ATOM 359 CA GLY A 47 -6.763 27.040 17.066 1.00 8.82 C ATOM 360 C GLY A 47 -6.855 28.293 17.921 1.00 10.82 C ATOM 361 O GLY A 47 -7.948 28.712 18.316 1.00 13.63 O ATOM 0 H GLY A 47 -8.375 25.917 17.233 1.00 9.89 H new ATOM 0 HA2 GLY A 47 -5.844 26.733 17.027 1.00 8.82 H new ATOM 0 HA3 GLY A 47 -7.034 27.240 16.156 1.00 8.82 H new ATOM 362 N VAL A 48 -5.700 28.877 18.231 1.00 11.05 N ATOM 363 CA VAL A 48 -5.616 30.122 18.990 1.00 9.44 C ATOM 364 C VAL A 48 -4.789 31.103 18.175 1.00 9.09 C ATOM 365 O VAL A 48 -3.605 30.854 17.909 1.00 9.68 O ATOM 366 CB VAL A 48 -4.994 29.914 20.376 1.00 8.43 C ATOM 367 CG1 VAL A 48 -4.769 31.271 21.047 1.00 12.09 C ATOM 368 CG2 VAL A 48 -5.889 29.023 21.224 1.00 11.42 C ATOM 0 H VAL A 48 -4.935 28.558 18.004 1.00 11.05 H new ATOM 0 HA VAL A 48 -6.510 30.465 19.142 1.00 9.44 H new ATOM 0 HB VAL A 48 -4.136 29.472 20.283 1.00 8.43 H new ATOM 0 HG11 VAL A 48 -4.376 31.138 21.924 1.00 12.09 H new ATOM 0 HG12 VAL A 48 -4.171 31.806 20.503 1.00 12.09 H new ATOM 0 HG13 VAL A 48 -5.618 31.731 21.141 1.00 12.09 H new ATOM 0 HG21 VAL A 48 -5.487 28.898 22.098 1.00 11.42 H new ATOM 0 HG22 VAL A 48 -6.759 29.440 21.326 1.00 11.42 H new ATOM 0 HG23 VAL A 48 -5.993 28.162 20.790 1.00 11.42 H new ATOM 369 N SER A 49 -5.402 32.216 17.788 1.00 10.23 N ATOM 370 CA SER A 49 -4.703 33.179 16.955 1.00 11.14 C ATOM 371 C SER A 49 -3.481 33.711 17.684 1.00 13.26 C ATOM 372 O SER A 49 -3.546 34.049 18.867 1.00 15.77 O ATOM 373 CB SER A 49 -5.640 34.322 16.569 1.00 14.78 C ATOM 374 OG SER A 49 -6.607 33.852 15.645 1.00 20.40 O ATOM 0 H SER A 49 -6.210 32.428 17.994 1.00 10.23 H new ATOM 0 HA SER A 49 -4.409 32.737 16.143 1.00 11.14 H new ATOM 0 HB2 SER A 49 -6.079 34.674 17.359 1.00 14.78 H new ATOM 0 HB3 SER A 49 -5.133 35.050 16.178 1.00 14.78 H new ATOM 0 HG SER A 49 -6.238 33.699 14.906 1.00 20.40 H new ATOM 375 N GLY A 50 -2.357 33.756 16.975 1.00 14.51 N ATOM 376 CA GLY A 50 -1.130 34.259 17.554 1.00 16.07 C ATOM 377 C GLY A 50 -0.323 33.270 18.366 1.00 15.07 C ATOM 378 O GLY A 50 0.749 33.646 18.859 1.00 17.31 O ATOM 0 H GLY A 50 -2.290 33.499 16.157 1.00 14.51 H new ATOM 0 HA2 GLY A 50 -0.569 34.595 16.837 1.00 16.07 H new ATOM 0 HA3 GLY A 50 -1.348 35.015 18.122 1.00 16.07 H new ATOM 379 N ASP A 51 -0.790 32.026 18.535 1.00 10.31 N ATOM 380 CA ASP A 51 -0.042 31.044 19.325 1.00 8.68 C ATOM 381 C ASP A 51 1.318 30.767 18.706 1.00 8.34 C ATOM 382 O ASP A 51 1.405 30.369 17.542 1.00 9.55 O ATOM 383 CB ASP A 51 -0.791 29.710 19.439 1.00 8.41 C ATOM 384 CG ASP A 51 -1.357 29.454 20.826 1.00 10.79 C ATOM 385 OD1 ASP A 51 -1.630 30.411 21.582 1.00 12.11 O ATOM 386 OD2 ASP A 51 -1.416 28.262 21.179 1.00 12.31 O ATOM 0 H ASP A 51 -1.529 31.736 18.204 1.00 10.31 H new ATOM 0 HA ASP A 51 0.063 31.431 20.208 1.00 8.68 H new ATOM 0 HB2 ASP A 51 -1.515 29.697 18.794 1.00 8.41 H new ATOM 0 HB3 ASP A 51 -0.188 28.987 19.204 1.00 8.41 H new ATOM 387 N THR A 52 2.367 30.937 19.503 1.00 7.33 N ATOM 388 CA THR A 52 3.683 30.415 19.183 1.00 7.29 C ATOM 389 C THR A 52 3.766 28.931 19.541 1.00 7.84 C ATOM 390 O THR A 52 2.875 28.370 20.183 1.00 7.87 O ATOM 391 CB THR A 52 4.743 31.166 19.972 1.00 10.47 C ATOM 392 OG1 THR A 52 4.467 30.990 21.362 1.00 9.00 O ATOM 393 CG2 THR A 52 4.734 32.657 19.625 1.00 12.32 C ATOM 0 H THR A 52 2.332 31.362 20.250 1.00 7.33 H new ATOM 0 HA THR A 52 3.834 30.529 18.232 1.00 7.29 H new ATOM 0 HB THR A 52 5.620 30.817 19.749 1.00 10.47 H new ATOM 0 HG1 THR A 52 5.096 30.565 21.721 1.00 9.00 H new ATOM 0 HG21 THR A 52 5.418 33.113 20.140 1.00 12.32 H new ATOM 0 HG22 THR A 52 4.913 32.770 18.678 1.00 12.32 H new ATOM 0 HG23 THR A 52 3.865 33.033 19.836 1.00 12.32 H new ATOM 394 N THR A 53 4.876 28.286 19.154 1.00 8.43 N ATOM 395 CA THR A 53 5.101 26.917 19.614 1.00 7.64 C ATOM 396 C THR A 53 5.170 26.849 21.140 1.00 6.85 C ATOM 397 O THR A 53 4.700 25.878 21.740 1.00 7.66 O ATOM 398 CB THR A 53 6.372 26.313 19.004 1.00 7.31 C ATOM 399 OG1 THR A 53 7.521 27.094 19.370 1.00 8.28 O ATOM 400 CG2 THR A 53 6.273 26.204 17.489 1.00 8.83 C ATOM 0 H THR A 53 5.487 28.612 18.645 1.00 8.43 H new ATOM 0 HA THR A 53 4.343 26.392 19.313 1.00 7.64 H new ATOM 0 HB THR A 53 6.469 25.416 19.359 1.00 7.31 H new ATOM 0 HG1 THR A 53 7.620 27.722 18.821 1.00 8.28 H new ATOM 0 HG21 THR A 53 7.091 25.819 17.138 1.00 8.83 H new ATOM 0 HG22 THR A 53 5.522 25.636 17.254 1.00 8.83 H new ATOM 0 HG23 THR A 53 6.142 27.087 17.109 1.00 8.83 H new ATOM 401 N ALA A 54 5.751 27.869 21.787 1.00 8.01 N ATOM 402 CA ALA A 54 5.789 27.877 23.246 1.00 8.57 C ATOM 403 C ALA A 54 4.393 28.013 23.834 1.00 7.89 C ATOM 404 O ALA A 54 4.082 27.371 24.845 1.00 8.43 O ATOM 405 CB ALA A 54 6.689 29.006 23.759 1.00 9.20 C ATOM 0 H ALA A 54 6.119 28.547 21.407 1.00 8.01 H new ATOM 0 HA ALA A 54 6.158 27.027 23.534 1.00 8.57 H new ATOM 0 HB1 ALA A 54 6.701 28.995 24.729 1.00 9.20 H new ATOM 0 HB2 ALA A 54 7.590 28.880 23.423 1.00 9.20 H new ATOM 0 HB3 ALA A 54 6.346 29.859 23.450 1.00 9.20 H new ATOM 406 N ALA A 55 3.548 28.854 23.228 1.00 8.08 N ATOM 407 CA ALA A 55 2.179 28.968 23.719 1.00 10.16 C ATOM 408 C ALA A 55 1.441 27.649 23.567 1.00 8.87 C ATOM 409 O ALA A 55 0.685 27.242 24.460 1.00 8.77 O ATOM 410 CB ALA A 55 1.439 30.091 22.991 1.00 9.51 C ATOM 0 H ALA A 55 3.742 29.351 22.553 1.00 8.08 H new ATOM 0 HA ALA A 55 2.211 29.187 24.663 1.00 10.16 H new ATOM 0 HB1 ALA A 55 0.532 30.153 23.329 1.00 9.51 H new ATOM 0 HB2 ALA A 55 1.898 30.932 23.142 1.00 9.51 H new ATOM 0 HB3 ALA A 55 1.417 29.901 22.040 1.00 9.51 H new ATOM 411 N GLY A 56 1.659 26.952 22.450 1.00 8.01 N ATOM 412 CA GLY A 56 1.022 25.663 22.278 1.00 7.38 C ATOM 413 C GLY A 56 1.491 24.658 23.307 1.00 8.81 C ATOM 414 O GLY A 56 0.688 23.921 23.881 1.00 9.06 O ATOM 0 H GLY A 56 2.161 27.206 21.799 1.00 8.01 H new ATOM 0 HA2 GLY A 56 0.060 25.767 22.344 1.00 7.38 H new ATOM 0 HA3 GLY A 56 1.211 25.326 21.388 1.00 7.38 H new ATOM 415 N LEU A 57 2.798 24.642 23.582 1.00 7.87 N ATOM 416 CA LEU A 57 3.323 23.725 24.582 1.00 8.02 C ATOM 417 C LEU A 57 2.733 24.027 25.949 1.00 8.08 C ATOM 418 O LEU A 57 2.445 23.107 26.725 1.00 9.29 O ATOM 419 CB LEU A 57 4.852 23.812 24.609 1.00 6.98 C ATOM 420 CG LEU A 57 5.564 22.976 25.681 1.00 9.10 C ATOM 421 CD1 LEU A 57 5.278 21.490 25.515 1.00 9.43 C ATOM 422 CD2 LEU A 57 7.067 23.256 25.654 1.00 14.07 C ATOM 0 H LEU A 57 3.384 25.146 23.206 1.00 7.87 H new ATOM 0 HA LEU A 57 3.068 22.819 24.347 1.00 8.02 H new ATOM 0 HB2 LEU A 57 5.187 23.541 23.740 1.00 6.98 H new ATOM 0 HB3 LEU A 57 5.102 24.741 24.733 1.00 6.98 H new ATOM 0 HG LEU A 57 5.216 23.237 26.548 1.00 9.10 H new ATOM 0 HD11 LEU A 57 5.742 20.992 26.206 1.00 9.43 H new ATOM 0 HD12 LEU A 57 4.324 21.334 25.589 1.00 9.43 H new ATOM 0 HD13 LEU A 57 5.586 21.196 24.643 1.00 9.43 H new ATOM 0 HD21 LEU A 57 7.508 22.723 26.334 1.00 14.07 H new ATOM 0 HD22 LEU A 57 7.424 23.025 24.782 1.00 14.07 H new ATOM 0 HD23 LEU A 57 7.224 24.197 25.828 1.00 14.07 H new ATOM 423 N GLN A 58 2.521 25.314 26.240 1.00 9.00 N ATOM 424 CA GLN A 58 2.001 25.713 27.541 1.00 8.46 C ATOM 425 C GLN A 58 0.585 25.202 27.765 1.00 9.60 C ATOM 426 O GLN A 58 0.204 24.945 28.913 1.00 11.78 O ATOM 427 CB GLN A 58 2.053 27.235 27.674 1.00 9.76 C ATOM 428 CG GLN A 58 1.658 27.751 29.041 1.00 11.48 C ATOM 429 CD GLN A 58 2.682 27.387 30.093 1.00 16.88 C ATOM 430 OE1 GLN A 58 3.872 27.289 29.800 1.00 25.52 O ATOM 431 NE2 GLN A 58 2.227 27.181 31.320 1.00 29.43 N ATOM 0 H GLN A 58 2.672 25.965 25.698 1.00 9.00 H new ATOM 0 HA GLN A 58 2.561 25.313 28.225 1.00 8.46 H new ATOM 0 HB2 GLN A 58 2.953 27.537 27.473 1.00 9.76 H new ATOM 0 HB3 GLN A 58 1.467 27.628 27.009 1.00 9.76 H new ATOM 0 HG2 GLN A 58 1.557 28.715 29.007 1.00 11.48 H new ATOM 0 HG3 GLN A 58 0.795 27.384 29.289 1.00 11.48 H new ATOM 0 HE21 GLN A 58 1.387 27.259 31.486 1.00 29.43 H new ATOM 0 HE22 GLN A 58 2.772 26.969 31.951 1.00 29.43 H new ATOM 432 N ARG A 59 -0.197 25.017 26.695 1.00 8.22 N ATOM 433 CA ARG A 59 -1.601 24.649 26.845 1.00 9.84 C ATOM 434 C ARG A 59 -1.960 23.243 26.370 1.00 10.83 C ATOM 435 O ARG A 59 -3.116 22.844 26.548 1.00 9.23 O ATOM 436 CB ARG A 59 -2.501 25.675 26.131 1.00 8.01 C ATOM 437 CG ARG A 59 -2.468 25.619 24.610 1.00 8.73 C ATOM 438 CD ARG A 59 -3.475 26.611 23.983 1.00 9.81 C ATOM 439 NE ARG A 59 -3.160 26.772 22.567 1.00 9.03 N ATOM 440 CZ ARG A 59 -3.870 26.269 21.563 1.00 9.77 C ATOM 441 NH1 ARG A 59 -5.000 25.600 21.791 1.00 10.67 N ATOM 442 NH2 ARG A 59 -3.453 26.463 20.317 1.00 9.56 N ATOM 0 H ARG A 59 0.068 25.100 25.881 1.00 8.22 H new ATOM 0 HA ARG A 59 -1.757 24.652 27.802 1.00 9.84 H new ATOM 0 HB2 ARG A 59 -3.416 25.542 26.425 1.00 8.01 H new ATOM 0 HB3 ARG A 59 -2.239 26.565 26.413 1.00 8.01 H new ATOM 0 HG2 ARG A 59 -1.573 25.824 24.297 1.00 8.73 H new ATOM 0 HG3 ARG A 59 -2.673 24.718 24.314 1.00 8.73 H new ATOM 0 HD2 ARG A 59 -4.381 26.282 24.090 1.00 9.81 H new ATOM 0 HD3 ARG A 59 -3.429 27.467 24.436 1.00 9.81 H new ATOM 0 HE ARG A 59 -2.459 27.229 22.367 1.00 9.03 H new ATOM 0 HH11 ARG A 59 -5.279 25.489 22.597 1.00 10.67 H new ATOM 0 HH12 ARG A 59 -5.450 25.279 21.132 1.00 10.67 H new ATOM 0 HH21 ARG A 59 -2.733 26.909 20.169 1.00 9.56 H new ATOM 0 HH22 ARG A 59 -3.903 26.143 19.658 1.00 9.56 H new ATOM 443 N ILE A 60 -1.028 22.456 25.816 1.00 8.78 N ATOM 444 CA ILE A 60 -1.443 21.175 25.228 1.00 8.52 C ATOM 445 C ILE A 60 -2.071 20.254 26.280 1.00 7.88 C ATOM 446 O ILE A 60 -3.103 19.620 26.024 1.00 8.68 O ATOM 447 CB ILE A 60 -0.283 20.497 24.460 1.00 8.91 C ATOM 448 CG1 ILE A 60 -0.743 19.176 23.828 1.00 9.07 C ATOM 449 CG2 ILE A 60 0.938 20.244 25.340 1.00 9.75 C ATOM 450 CD1 ILE A 60 -1.837 19.334 22.790 1.00 8.41 C ATOM 0 H ILE A 60 -0.188 22.634 25.771 1.00 8.78 H new ATOM 0 HA ILE A 60 -2.134 21.361 24.573 1.00 8.52 H new ATOM 0 HB ILE A 60 -0.020 21.118 23.762 1.00 8.91 H new ATOM 0 HG12 ILE A 60 0.021 18.743 23.416 1.00 9.07 H new ATOM 0 HG13 ILE A 60 -1.059 18.586 24.530 1.00 9.07 H new ATOM 0 HG21 ILE A 60 1.634 19.819 24.814 1.00 9.75 H new ATOM 0 HG22 ILE A 60 1.266 21.088 25.689 1.00 9.75 H new ATOM 0 HG23 ILE A 60 0.691 19.664 26.077 1.00 9.75 H new ATOM 0 HD11 ILE A 60 -2.076 18.463 22.436 1.00 8.41 H new ATOM 0 HD12 ILE A 60 -2.616 19.740 23.200 1.00 8.41 H new ATOM 0 HD13 ILE A 60 -1.520 19.900 22.069 1.00 8.41 H new ATOM 451 N ALYS A 61 -1.484 20.180 27.479 0.48 8.74 N ATOM 452 N BLYS A 61 -1.474 20.171 27.476 0.52 8.73 N ATOM 453 CA ALYS A 61 -2.053 19.298 28.494 0.48 8.26 C ATOM 454 CA BLYS A 61 -2.042 19.306 28.510 0.52 8.26 C ATOM 455 C ALYS A 61 -3.441 19.766 28.918 0.48 8.72 C ATOM 456 C BLYS A 61 -3.439 19.767 28.909 0.52 8.71 C ATOM 457 O ALYS A 61 -4.358 18.947 29.064 0.48 8.77 O ATOM 458 O BLYS A 61 -4.359 18.948 29.033 0.52 8.75 O ATOM 459 CB ALYS A 61 -1.123 19.210 29.700 0.48 9.61 C ATOM 460 CB BLYS A 61 -1.125 19.267 29.733 0.52 9.58 C ATOM 461 CG ALYS A 61 -1.618 18.264 30.763 0.48 13.59 C ATOM 462 CG BLYS A 61 0.081 18.350 29.594 0.52 10.81 C ATOM 463 CD ALYS A 61 -0.600 18.127 31.877 0.48 16.39 C ATOM 464 CD BLYS A 61 0.935 18.439 30.855 0.52 15.16 C ATOM 465 CE ALYS A 61 -1.288 17.799 33.185 0.48 20.56 C ATOM 466 CE BLYS A 61 2.211 17.613 30.751 0.52 21.58 C ATOM 467 NZ ALYS A 61 -2.352 16.787 32.996 0.48 13.05 N ATOM 468 NZ BLYS A 61 1.965 16.150 30.873 0.52 19.88 N ATOM 0 H ALYS A 61 -0.782 20.616 27.716 0.48 8.73 H new ATOM 0 H BLYS A 61 -0.761 20.595 27.701 0.52 8.73 H new ATOM 0 HA ALYS A 61 -2.145 18.413 28.107 0.48 8.26 H new ATOM 0 HA BLYS A 61 -2.116 18.411 28.144 0.52 8.26 H new ATOM 0 HB2ALYS A 61 -0.245 18.924 29.404 0.48 9.58 H new ATOM 0 HB2BLYS A 61 -0.812 20.167 29.917 0.52 9.58 H new ATOM 0 HB3ALYS A 61 -1.018 20.094 30.085 0.48 9.58 H new ATOM 0 HB3BLYS A 61 -1.644 18.984 30.502 0.52 9.58 H new ATOM 0 HG2ALYS A 61 -2.458 18.588 31.125 0.48 10.81 H new ATOM 0 HG2BLYS A 61 -0.210 17.436 29.453 0.52 10.81 H new ATOM 0 HG3ALYS A 61 -1.794 17.394 30.371 0.48 10.81 H new ATOM 0 HG3BLYS A 61 0.605 18.604 28.818 0.52 10.81 H new ATOM 0 HD2ALYS A 61 0.037 17.430 31.656 0.48 15.16 H new ATOM 0 HD2BLYS A 61 1.166 19.366 31.022 0.52 15.16 H new ATOM 0 HD3ALYS A 61 -0.098 18.952 31.967 0.48 15.16 H new ATOM 0 HD3BLYS A 61 0.416 18.134 31.616 0.52 15.16 H new ATOM 0 HE2ALYS A 61 -0.635 17.469 33.822 0.48 21.58 H new ATOM 0 HE2BLYS A 61 2.640 17.794 29.900 0.52 21.58 H new ATOM 0 HE3ALYS A 61 -1.670 18.606 33.563 0.48 21.58 H new ATOM 0 HE3BLYS A 61 2.829 17.892 31.445 0.52 21.58 H new ATOM 0 HZ1ALYS A 61 -2.497 16.362 33.764 0.48 19.88 H new ATOM 0 HZ1BLYS A 61 2.550 15.797 31.443 0.52 19.88 H new ATOM 0 HZ2ALYS A 61 -3.101 17.189 32.733 0.48 19.88 H new ATOM 0 HZ2BLYS A 61 1.139 16.012 31.173 0.52 19.88 H new ATOM 0 HZ3ALYS A 61 -2.098 16.201 32.377 0.48 19.88 H new ATOM 0 HZ3BLYS A 61 2.059 15.765 30.076 0.52 19.88 H new ATOM 469 N PHE A 62 -3.617 21.076 29.102 1.00 9.88 N ATOM 470 CA PHE A 62 -4.924 21.612 29.471 1.00 9.60 C ATOM 471 C PHE A 62 -5.968 21.318 28.403 1.00 8.15 C ATOM 472 O PHE A 62 -7.095 20.923 28.722 1.00 9.82 O ATOM 473 CB PHE A 62 -4.817 23.123 29.712 1.00 9.98 C ATOM 474 CG PHE A 62 -6.132 23.785 30.048 1.00 9.94 C ATOM 475 CD1 PHE A 62 -6.605 23.782 31.355 1.00 11.99 C ATOM 476 CD2 PHE A 62 -6.890 24.405 29.068 1.00 12.96 C ATOM 477 CE1 PHE A 62 -7.804 24.394 31.674 1.00 15.83 C ATOM 478 CE2 PHE A 62 -8.100 25.010 29.383 1.00 13.25 C ATOM 479 CZ PHE A 62 -8.556 24.994 30.685 1.00 14.90 C ATOM 0 H APHE A 62 -2.996 21.665 29.018 0.48 9.88 H new ATOM 0 H BPHE A 62 -2.996 21.666 29.024 0.52 9.88 H new ATOM 0 HA PHE A 62 -5.210 21.176 30.289 1.00 9.60 H new ATOM 0 HB2 PHE A 62 -4.191 23.282 30.435 1.00 9.98 H new ATOM 0 HB3 PHE A 62 -4.447 23.542 28.919 1.00 9.98 H new ATOM 0 HD1 PHE A 62 -6.110 23.364 32.022 1.00 11.99 H new ATOM 0 HD2 PHE A 62 -6.585 24.416 28.189 1.00 12.96 H new ATOM 0 HE1 PHE A 62 -8.103 24.401 32.555 1.00 15.83 H new ATOM 0 HE2 PHE A 62 -8.601 25.425 28.718 1.00 13.25 H new ATOM 0 HZ PHE A 62 -9.371 25.388 30.896 1.00 14.90 H new ATOM 480 N VAL A 63 -5.611 21.505 27.129 1.00 7.79 N ATOM 481 CA VAL A 63 -6.565 21.256 26.051 1.00 7.15 C ATOM 482 C VAL A 63 -6.965 19.785 26.025 1.00 7.86 C ATOM 483 O VAL A 63 -8.149 19.449 25.895 1.00 9.06 O ATOM 484 CB VAL A 63 -5.973 21.720 24.705 1.00 6.12 C ATOM 485 CG1 VAL A 63 -6.848 21.253 23.556 1.00 8.79 C ATOM 486 CG2 VAL A 63 -5.845 23.248 24.677 1.00 9.83 C ATOM 0 H VAL A 63 -4.834 21.771 26.873 1.00 7.79 H new ATOM 0 HA VAL A 63 -7.372 21.770 26.209 1.00 7.15 H new ATOM 0 HB VAL A 63 -5.090 21.330 24.607 1.00 6.12 H new ATOM 0 HG11 VAL A 63 -6.465 21.551 22.716 1.00 8.79 H new ATOM 0 HG12 VAL A 63 -6.900 20.284 23.562 1.00 8.79 H new ATOM 0 HG13 VAL A 63 -7.738 21.625 23.655 1.00 8.79 H new ATOM 0 HG21 VAL A 63 -5.472 23.526 23.826 1.00 9.83 H new ATOM 0 HG22 VAL A 63 -6.721 23.648 24.792 1.00 9.83 H new ATOM 0 HG23 VAL A 63 -5.261 23.537 25.396 1.00 9.83 H new ATOM 487 N LEU A 64 -5.998 18.886 26.205 1.00 7.66 N ATOM 488 CA LEU A 64 -6.322 17.463 26.196 1.00 9.41 C ATOM 489 C LEU A 64 -7.153 17.080 27.415 1.00 9.05 C ATOM 490 O LEU A 64 -8.125 16.321 27.298 1.00 10.08 O ATOM 491 CB LEU A 64 -5.039 16.636 26.134 1.00 7.94 C ATOM 492 CG LEU A 64 -4.272 16.744 24.819 1.00 8.08 C ATOM 493 CD1 LEU A 64 -2.885 16.142 24.952 1.00 8.69 C ATOM 494 CD2 LEU A 64 -5.063 16.060 23.703 1.00 9.30 C ATOM 0 H LEU A 64 -5.168 19.074 26.331 1.00 7.66 H new ATOM 0 HA LEU A 64 -6.854 17.275 25.407 1.00 9.41 H new ATOM 0 HB2 LEU A 64 -4.456 16.912 26.858 1.00 7.94 H new ATOM 0 HB3 LEU A 64 -5.261 15.705 26.289 1.00 7.94 H new ATOM 0 HG LEU A 64 -4.163 17.681 24.594 1.00 8.08 H new ATOM 0 HD11 LEU A 64 -2.415 16.221 24.107 1.00 8.69 H new ATOM 0 HD12 LEU A 64 -2.392 16.614 25.641 1.00 8.69 H new ATOM 0 HD13 LEU A 64 -2.960 15.206 25.193 1.00 8.69 H new ATOM 0 HD21 LEU A 64 -4.573 16.130 22.869 1.00 9.30 H new ATOM 0 HD22 LEU A 64 -5.192 15.124 23.924 1.00 9.30 H new ATOM 0 HD23 LEU A 64 -5.927 16.491 23.607 1.00 9.30 H new ATOM 495 N ASP A 65 -6.804 17.619 28.584 1.00 8.97 N ATOM 496 CA ASP A 65 -7.537 17.295 29.803 1.00 9.78 C ATOM 497 C ASP A 65 -8.943 17.872 29.795 1.00 9.98 C ATOM 498 O ASP A 65 -9.790 17.413 30.571 1.00 15.32 O ATOM 499 CB ASP A 65 -6.796 17.822 31.036 1.00 8.01 C ATOM 500 CG ASP A 65 -5.503 17.080 31.323 1.00 10.43 C ATOM 501 OD1 ASP A 65 -5.273 15.995 30.746 1.00 12.15 O ATOM 502 OD2 ASP A 65 -4.723 17.593 32.160 1.00 13.89 O ATOM 0 H ASP A 65 -6.152 18.169 28.690 1.00 8.97 H new ATOM 0 HA ASP A 65 -7.599 16.328 29.840 1.00 9.78 H new ATOM 0 HB2 ASP A 65 -6.600 18.764 30.910 1.00 8.01 H new ATOM 0 HB3 ASP A 65 -7.378 17.755 31.809 1.00 8.01 H new ATOM 503 N SER A 66 -9.199 18.879 28.957 1.00 9.96 N ATOM 504 CA SER A 66 -10.510 19.506 28.857 1.00 10.32 C ATOM 505 C SER A 66 -11.478 18.730 27.976 1.00 12.61 C ATOM 506 O SER A 66 -12.663 19.079 27.946 1.00 15.36 O ATOM 507 CB SER A 66 -10.372 20.922 28.301 1.00 11.64 C ATOM 508 OG SER A 66 -9.686 21.756 29.217 1.00 13.38 O ATOM 0 H SER A 66 -8.610 19.217 28.429 1.00 9.96 H new ATOM 0 HA SER A 66 -10.874 19.520 29.756 1.00 10.32 H new ATOM 0 HB2 SER A 66 -9.893 20.898 27.458 1.00 11.64 H new ATOM 0 HB3 SER A 66 -11.251 21.289 28.118 1.00 11.64 H new ATOM 0 HG SER A 66 -8.861 21.603 29.172 1.00 13.38 H new ATOM 509 N GLN A 67 -11.004 17.702 27.272 1.00 9.07 N ATOM 510 CA GLN A 67 -11.824 16.989 26.295 1.00 10.78 C ATOM 511 C GLN A 67 -12.700 15.939 26.962 1.00 10.96 C ATOM 512 O GLN A 67 -12.185 15.059 27.660 1.00 13.37 O ATOM 513 CB GLN A 67 -10.945 16.311 25.263 1.00 10.23 C ATOM 514 CG GLN A 67 -10.143 17.285 24.431 1.00 13.61 C ATOM 515 CD GLN A 67 -10.985 18.437 23.936 1.00 12.76 C ATOM 516 OE1 GLN A 67 -12.091 18.245 23.412 1.00 15.82 O ATOM 517 NE2 GLN A 67 -10.473 19.651 24.101 1.00 12.19 N ATOM 0 H GLN A 67 -10.202 17.400 27.347 1.00 9.07 H new ATOM 0 HA GLN A 67 -12.395 17.645 25.865 1.00 10.78 H new ATOM 0 HB2 GLN A 67 -10.338 15.703 25.713 1.00 10.23 H new ATOM 0 HB3 GLN A 67 -11.500 15.774 24.676 1.00 10.23 H new ATOM 0 HG2 GLN A 67 -9.405 17.629 24.959 1.00 13.61 H new ATOM 0 HG3 GLN A 67 -9.757 16.819 23.673 1.00 13.61 H new ATOM 0 HE21 GLN A 67 -9.702 19.746 24.469 1.00 12.19 H new ATOM 0 HE22 GLN A 67 -10.913 20.342 23.840 1.00 12.19 H new ATOM 518 N PRO A 68 -14.014 15.969 26.735 1.00 11.40 N ATOM 519 CA PRO A 68 -14.845 14.841 27.180 1.00 11.28 C ATOM 520 C PRO A 68 -14.516 13.559 26.446 1.00 12.24 C ATOM 521 O PRO A 68 -14.593 12.480 27.041 1.00 13.56 O ATOM 522 CB PRO A 68 -16.279 15.310 26.877 1.00 15.54 C ATOM 523 CG PRO A 68 -16.172 16.811 26.718 1.00 26.05 C ATOM 524 CD PRO A 68 -14.804 17.051 26.134 1.00 14.68 C ATOM 0 HA PRO A 68 -14.703 14.627 28.115 1.00 11.28 H new ATOM 0 HB2 PRO A 68 -16.622 14.895 26.070 1.00 15.54 H new ATOM 0 HB3 PRO A 68 -16.885 15.075 27.597 1.00 15.54 H new ATOM 0 HG2 PRO A 68 -16.867 17.152 26.133 1.00 26.05 H new ATOM 0 HG3 PRO A 68 -16.273 17.262 27.571 1.00 26.05 H new ATOM 0 HD2 PRO A 68 -14.810 17.000 25.165 1.00 14.68 H new ATOM 0 HD3 PRO A 68 -14.458 17.926 26.370 1.00 14.68 H new ATOM 525 N ASP A 69 -14.152 13.645 25.169 1.00 11.47 N ATOM 526 CA ASP A 69 -13.791 12.490 24.363 1.00 10.20 C ATOM 527 C ASP A 69 -12.344 12.628 23.923 1.00 11.11 C ATOM 528 O ASP A 69 -11.968 13.635 23.308 1.00 10.53 O ATOM 529 CB ASP A 69 -14.689 12.365 23.131 1.00 12.87 C ATOM 530 CG ASP A 69 -16.151 12.251 23.490 1.00 16.87 C ATOM 531 OD1 ASP A 69 -16.499 11.411 24.357 1.00 15.60 O ATOM 532 OD2 ASP A 69 -16.943 13.019 22.902 1.00 19.49 O ATOM 0 H ASP A 69 -14.108 14.390 24.742 1.00 11.47 H new ATOM 0 HA ASP A 69 -13.908 11.691 24.901 1.00 10.20 H new ATOM 0 HB2 ASP A 69 -14.559 13.138 22.560 1.00 12.87 H new ATOM 0 HB3 ASP A 69 -14.423 11.586 22.618 1.00 12.87 H new ATOM 533 N LYS A 70 -11.552 11.614 24.217 1.00 10.73 N ATOM 534 CA LYS A 70 -10.147 11.635 23.849 1.00 10.01 C ATOM 535 C LYS A 70 -9.999 11.717 22.333 1.00 12.40 C ATOM 536 O LYS A 70 -10.652 10.952 21.600 1.00 11.54 O ATOM 537 CB LYS A 70 -9.453 10.393 24.386 1.00 14.32 C ATOM 538 CG LYS A 70 -7.978 10.354 24.137 1.00 11.85 C ATOM 539 CD LYS A 70 -7.430 9.058 24.708 1.00 17.94 C ATOM 540 CE LYS A 70 -5.928 9.068 24.736 1.00 21.42 C ATOM 541 NZ LYS A 70 -5.409 7.739 25.186 1.00 24.91 N ATOM 0 H LYS A 70 -11.806 10.903 24.629 1.00 10.73 H new ATOM 0 HA LYS A 70 -9.730 12.419 24.240 1.00 10.01 H new ATOM 0 HB2 LYS A 70 -9.611 10.335 25.341 1.00 14.32 H new ATOM 0 HB3 LYS A 70 -9.859 9.609 23.984 1.00 14.32 H new ATOM 0 HG2 LYS A 70 -7.795 10.408 23.186 1.00 11.85 H new ATOM 0 HG3 LYS A 70 -7.545 11.116 24.553 1.00 11.85 H new ATOM 0 HD2 LYS A 70 -7.772 8.928 25.606 1.00 17.94 H new ATOM 0 HD3 LYS A 70 -7.741 8.310 24.175 1.00 17.94 H new ATOM 0 HE2 LYS A 70 -5.583 9.275 23.853 1.00 21.42 H new ATOM 0 HE3 LYS A 70 -5.614 9.764 25.334 1.00 21.42 H new ATOM 0 HZ1 LYS A 70 -4.545 7.673 24.982 1.00 24.91 H new ATOM 0 HZ2 LYS A 70 -5.512 7.662 26.067 1.00 24.91 H new ATOM 0 HZ3 LYS A 70 -5.860 7.090 24.777 1.00 24.91 H new ATOM 542 N PRO A 71 -9.169 12.620 21.825 1.00 10.23 N ATOM 543 CA PRO A 71 -8.971 12.698 20.377 1.00 11.01 C ATOM 544 C PRO A 71 -8.451 11.391 19.798 1.00 11.40 C ATOM 545 O PRO A 71 -7.594 10.716 20.374 1.00 11.64 O ATOM 546 CB PRO A 71 -7.945 13.827 20.220 1.00 9.88 C ATOM 547 CG PRO A 71 -8.147 14.682 21.431 1.00 10.83 C ATOM 548 CD PRO A 71 -8.449 13.690 22.537 1.00 10.63 C ATOM 0 HA PRO A 71 -9.798 12.865 19.899 1.00 11.01 H new ATOM 0 HB2 PRO A 71 -7.040 13.480 20.179 1.00 9.88 H new ATOM 0 HB3 PRO A 71 -8.093 14.329 19.403 1.00 9.88 H new ATOM 0 HG2 PRO A 71 -7.356 15.206 21.631 1.00 10.83 H new ATOM 0 HG3 PRO A 71 -8.878 15.307 21.306 1.00 10.83 H new ATOM 0 HD2 PRO A 71 -7.639 13.361 22.957 1.00 10.63 H new ATOM 0 HD3 PRO A 71 -8.992 14.085 23.237 1.00 10.63 H new ATOM 549 N GLU A 72 -8.980 11.049 18.631 1.00 10.22 N ATOM 550 CA GLU A 72 -8.524 9.887 17.892 1.00 9.58 C ATOM 551 C GLU A 72 -7.445 10.238 16.877 1.00 12.54 C ATOM 552 O GLU A 72 -6.780 9.342 16.347 1.00 12.41 O ATOM 553 CB GLU A 72 -9.727 9.215 17.212 1.00 11.94 C ATOM 554 CG GLU A 72 -10.823 8.867 18.229 1.00 14.34 C ATOM 555 CD GLU A 72 -12.116 8.384 17.599 1.00 14.15 C ATOM 556 OE1 GLU A 72 -13.139 9.092 17.732 1.00 16.24 O ATOM 557 OE2 GLU A 72 -12.108 7.279 17.008 1.00 16.22 O ATOM 0 H GLU A 72 -9.614 11.486 18.247 1.00 10.22 H new ATOM 0 HA GLU A 72 -8.119 9.267 18.518 1.00 9.58 H new ATOM 0 HB2 GLU A 72 -10.089 9.806 16.533 1.00 11.94 H new ATOM 0 HB3 GLU A 72 -9.436 8.408 16.759 1.00 11.94 H new ATOM 0 HG2 GLU A 72 -10.490 8.181 18.828 1.00 14.34 H new ATOM 0 HG3 GLU A 72 -11.010 9.650 18.770 1.00 14.34 H new ATOM 558 N LEU A 73 -7.249 11.524 16.625 1.00 9.93 N ATOM 559 CA LEU A 73 -6.171 12.043 15.801 1.00 10.34 C ATOM 560 C LEU A 73 -5.947 13.467 16.275 1.00 6.98 C ATOM 561 O LEU A 73 -6.912 14.168 16.589 1.00 9.48 O ATOM 562 CB LEU A 73 -6.523 12.022 14.303 1.00 10.46 C ATOM 563 CG LEU A 73 -5.601 12.783 13.338 1.00 8.12 C ATOM 564 CD1 LEU A 73 -4.255 12.083 13.240 1.00 9.53 C ATOM 565 CD2 LEU A 73 -6.264 12.865 11.968 1.00 9.65 C ATOM 0 H LEU A 73 -7.759 12.140 16.941 1.00 9.93 H new ATOM 0 HA LEU A 73 -5.376 11.495 15.892 1.00 10.34 H new ATOM 0 HB2 LEU A 73 -6.553 11.096 14.017 1.00 10.46 H new ATOM 0 HB3 LEU A 73 -7.419 12.379 14.203 1.00 10.46 H new ATOM 0 HG LEU A 73 -5.452 13.681 13.672 1.00 8.12 H new ATOM 0 HD11 LEU A 73 -3.680 12.570 12.629 1.00 9.53 H new ATOM 0 HD12 LEU A 73 -3.842 12.052 14.117 1.00 9.53 H new ATOM 0 HD13 LEU A 73 -4.383 11.179 12.911 1.00 9.53 H new ATOM 0 HD21 LEU A 73 -5.684 13.345 11.356 1.00 9.65 H new ATOM 0 HD22 LEU A 73 -6.420 11.969 11.630 1.00 9.65 H new ATOM 0 HD23 LEU A 73 -7.110 13.333 12.045 1.00 9.65 H new ATOM 566 N ALA A 74 -4.683 13.881 16.352 1.00 9.03 N ATOM 567 CA ALA A 74 -4.340 15.266 16.647 1.00 7.37 C ATOM 568 C ALA A 74 -3.598 15.839 15.453 1.00 8.21 C ATOM 569 O ALA A 74 -2.577 15.285 15.027 1.00 8.74 O ATOM 570 CB ALA A 74 -3.482 15.391 17.909 1.00 8.57 C ATOM 0 H ALA A 74 -4.004 13.367 16.235 1.00 9.03 H new ATOM 0 HA ALA A 74 -5.158 15.760 16.813 1.00 7.37 H new ATOM 0 HB1 ALA A 74 -3.276 16.325 18.070 1.00 8.57 H new ATOM 0 HB2 ALA A 74 -3.968 15.032 18.668 1.00 8.57 H new ATOM 0 HB3 ALA A 74 -2.657 14.895 17.790 1.00 8.57 H new ATOM 571 N ILE A 75 -4.113 16.940 14.923 1.00 6.42 N ATOM 572 CA ILE A 75 -3.460 17.683 13.852 1.00 8.03 C ATOM 573 C ILE A 75 -2.759 18.872 14.493 1.00 7.74 C ATOM 574 O ILE A 75 -3.416 19.715 15.118 1.00 8.37 O ATOM 575 CB ILE A 75 -4.473 18.145 12.795 1.00 7.99 C ATOM 576 CG1 ILE A 75 -5.356 16.972 12.347 1.00 9.26 C ATOM 577 CG2 ILE A 75 -3.752 18.809 11.615 1.00 9.84 C ATOM 578 CD1 ILE A 75 -6.463 17.388 11.395 1.00 10.66 C ATOM 0 H ILE A 75 -4.860 17.282 15.177 1.00 6.42 H new ATOM 0 HA ILE A 75 -2.821 17.118 13.391 1.00 8.03 H new ATOM 0 HB ILE A 75 -5.058 18.812 13.188 1.00 7.99 H new ATOM 0 HG12 ILE A 75 -4.801 16.303 11.916 1.00 9.26 H new ATOM 0 HG13 ILE A 75 -5.750 16.554 13.129 1.00 9.26 H new ATOM 0 HG21 ILE A 75 -4.404 19.095 10.957 1.00 9.84 H new ATOM 0 HG22 ILE A 75 -3.254 19.579 11.932 1.00 9.84 H new ATOM 0 HG23 ILE A 75 -3.141 18.174 11.210 1.00 9.84 H new ATOM 0 HD11 ILE A 75 -6.986 16.610 11.147 1.00 10.66 H new ATOM 0 HD12 ILE A 75 -7.037 18.038 11.830 1.00 10.66 H new ATOM 0 HD13 ILE A 75 -6.074 17.783 10.599 1.00 10.66 H new ATOM 579 N VAL A 76 -1.434 18.953 14.338 1.00 6.52 N ATOM 580 CA VAL A 76 -0.625 19.977 15.000 1.00 5.98 C ATOM 581 C VAL A 76 -0.111 20.943 13.944 1.00 7.26 C ATOM 582 O VAL A 76 0.609 20.540 13.018 1.00 7.77 O ATOM 583 CB VAL A 76 0.542 19.359 15.786 1.00 7.98 C ATOM 584 CG1 VAL A 76 1.390 20.453 16.413 1.00 9.73 C ATOM 585 CG2 VAL A 76 0.013 18.431 16.856 1.00 8.68 C ATOM 0 H VAL A 76 -0.980 18.414 13.845 1.00 6.52 H new ATOM 0 HA VAL A 76 -1.176 20.449 15.643 1.00 5.98 H new ATOM 0 HB VAL A 76 1.096 18.849 15.175 1.00 7.98 H new ATOM 0 HG11 VAL A 76 2.123 20.052 16.906 1.00 9.73 H new ATOM 0 HG12 VAL A 76 1.745 21.027 15.716 1.00 9.73 H new ATOM 0 HG13 VAL A 76 0.844 20.980 17.018 1.00 9.73 H new ATOM 0 HG21 VAL A 76 0.756 18.046 17.347 1.00 8.68 H new ATOM 0 HG22 VAL A 76 -0.553 18.929 17.466 1.00 8.68 H new ATOM 0 HG23 VAL A 76 -0.504 17.722 16.443 1.00 8.68 H new ATOM 586 N GLU A 77 -0.492 22.214 14.086 1.00 6.72 N ATOM 587 CA GLU A 77 -0.207 23.270 13.115 1.00 8.01 C ATOM 588 C GLU A 77 0.336 24.484 13.863 1.00 8.62 C ATOM 589 O GLU A 77 -0.419 25.389 14.223 1.00 7.62 O ATOM 590 CB GLU A 77 -1.480 23.607 12.337 1.00 7.43 C ATOM 591 CG GLU A 77 -1.336 24.694 11.305 1.00 8.30 C ATOM 592 CD GLU A 77 -1.718 26.059 11.829 1.00 9.04 C ATOM 593 OE1 GLU A 77 -0.961 27.008 11.536 1.00 8.81 O ATOM 594 OE2 GLU A 77 -2.751 26.193 12.530 1.00 9.12 O ATOM 0 H GLU A 77 -0.935 22.492 14.769 1.00 6.72 H new ATOM 0 HA GLU A 77 0.460 22.978 12.474 1.00 8.01 H new ATOM 0 HB2 GLU A 77 -1.794 22.802 11.896 1.00 7.43 H new ATOM 0 HB3 GLU A 77 -2.167 23.871 12.969 1.00 7.43 H new ATOM 0 HG2 GLU A 77 -0.418 24.718 10.994 1.00 8.30 H new ATOM 0 HG3 GLU A 77 -1.890 24.481 10.538 1.00 8.30 H new ATOM 595 N LEU A 78 1.650 24.511 14.092 1.00 7.68 N ATOM 596 CA LEU A 78 2.248 25.599 14.847 1.00 6.01 C ATOM 597 C LEU A 78 3.643 25.887 14.314 1.00 6.84 C ATOM 598 O LEU A 78 4.321 25.015 13.762 1.00 8.72 O ATOM 599 CB LEU A 78 2.321 25.273 16.344 1.00 8.02 C ATOM 600 CG LEU A 78 1.009 25.259 17.123 1.00 6.51 C ATOM 601 CD1 LEU A 78 1.239 24.763 18.546 1.00 9.89 C ATOM 602 CD2 LEU A 78 0.399 26.653 17.143 1.00 9.39 C ATOM 0 H LEU A 78 2.204 23.912 13.819 1.00 7.68 H new ATOM 0 HA LEU A 78 1.686 26.383 14.739 1.00 6.01 H new ATOM 0 HB2 LEU A 78 2.737 24.402 16.441 1.00 8.02 H new ATOM 0 HB3 LEU A 78 2.912 25.918 16.763 1.00 8.02 H new ATOM 0 HG LEU A 78 0.393 24.653 16.682 1.00 6.51 H new ATOM 0 HD11 LEU A 78 0.397 24.760 19.028 1.00 9.89 H new ATOM 0 HD12 LEU A 78 1.600 23.863 18.521 1.00 9.89 H new ATOM 0 HD13 LEU A 78 1.866 25.350 18.996 1.00 9.89 H new ATOM 0 HD21 LEU A 78 -0.434 26.635 17.640 1.00 9.39 H new ATOM 0 HD22 LEU A 78 1.015 27.270 17.568 1.00 9.39 H new ATOM 0 HD23 LEU A 78 0.226 26.944 16.234 1.00 9.39 H new ATOM 603 N GLY A 79 4.076 27.123 14.533 1.00 7.54 N ATOM 604 CA GLY A 79 5.413 27.544 14.153 1.00 9.63 C ATOM 605 C GLY A 79 5.393 28.797 13.310 1.00 9.82 C ATOM 606 O GLY A 79 6.380 29.539 13.266 1.00 8.29 O ATOM 0 H GLY A 79 3.603 27.738 14.905 1.00 7.54 H new ATOM 0 HA2 GLY A 79 5.941 27.701 14.951 1.00 9.63 H new ATOM 0 HA3 GLY A 79 5.848 26.831 13.660 1.00 9.63 H new ATOM 607 N GLY A 80 4.267 29.039 12.630 1.00 9.06 N ATOM 608 CA GLY A 80 4.139 30.236 11.818 1.00 10.35 C ATOM 609 C GLY A 80 4.376 31.515 12.599 1.00 10.60 C ATOM 610 O GLY A 80 4.987 32.458 12.089 1.00 11.33 O ATOM 0 H GLY A 80 3.578 28.525 12.630 1.00 9.06 H new ATOM 0 HA2 GLY A 80 4.771 30.191 11.083 1.00 10.35 H new ATOM 0 HA3 GLY A 80 3.251 30.262 11.428 1.00 10.35 H new ATOM 611 N ASN A 81 3.916 31.567 13.850 1.00 9.57 N ATOM 612 CA ASN A 81 4.128 32.798 14.602 1.00 10.50 C ATOM 613 C ASN A 81 5.566 32.930 15.091 1.00 13.46 C ATOM 614 O ASN A 81 6.084 34.050 15.146 1.00 15.71 O ATOM 615 CB ASN A 81 3.123 32.890 15.746 1.00 7.77 C ATOM 616 CG ASN A 81 1.742 33.241 15.239 1.00 12.46 C ATOM 617 OD1 ASN A 81 1.553 34.273 14.581 1.00 23.20 O ATOM 618 ND2 ASN A 81 0.783 32.371 15.489 1.00 12.77 N ATOM 0 H ASN A 81 3.501 30.936 14.262 1.00 9.57 H new ATOM 0 HA ASN A 81 3.979 33.548 14.005 1.00 10.50 H new ATOM 0 HB2 ASN A 81 3.090 32.044 16.219 1.00 7.77 H new ATOM 0 HB3 ASN A 81 3.416 33.560 16.383 1.00 7.77 H new ATOM 0 HD21 ASN A 81 -0.012 32.510 15.191 1.00 12.77 H new ATOM 0 HD22 ASN A 81 0.952 31.665 15.950 1.00 12.77 H new ATOM 619 N ASP A 82 6.237 31.819 15.401 1.00 8.58 N ATOM 620 CA ASP A 82 7.672 31.893 15.669 1.00 9.77 C ATOM 621 C ASP A 82 8.411 32.486 14.474 1.00 13.43 C ATOM 622 O ASP A 82 9.300 33.329 14.640 1.00 11.25 O ATOM 623 CB ASP A 82 8.249 30.505 15.988 1.00 10.69 C ATOM 624 CG ASP A 82 7.554 29.802 17.143 1.00 11.22 C ATOM 625 OD1 ASP A 82 6.314 29.708 17.159 1.00 10.28 O ATOM 626 OD2 ASP A 82 8.270 29.279 18.018 1.00 8.67 O ATOM 0 H ASP A 82 5.891 31.034 15.460 1.00 8.58 H new ATOM 0 HA ASP A 82 7.796 32.467 16.441 1.00 9.77 H new ATOM 0 HB2 ASP A 82 8.186 29.948 15.196 1.00 10.69 H new ATOM 0 HB3 ASP A 82 9.192 30.596 16.196 1.00 10.69 H new ATOM 627 N LEU A 83 8.048 32.044 13.264 1.00 12.13 N ATOM 628 CA LEU A 83 8.567 32.595 12.013 1.00 18.34 C ATOM 629 C LEU A 83 8.364 34.094 11.917 1.00 21.47 C ATOM 630 O LEU A 83 9.297 34.845 11.603 1.00 25.10 O ATOM 631 CB LEU A 83 7.834 31.955 10.844 1.00 27.46 C ATOM 632 CG LEU A 83 8.349 30.664 10.294 1.00 26.83 C ATOM 633 CD1 LEU A 83 7.512 30.320 9.078 1.00 29.44 C ATOM 634 CD2 LEU A 83 9.797 30.858 9.939 1.00 30.24 C ATOM 0 H LEU A 83 7.484 31.405 13.149 1.00 12.13 H new ATOM 0 HA LEU A 83 9.518 32.407 11.990 1.00 18.34 H new ATOM 0 HB2 LEU A 83 6.914 31.813 11.116 1.00 27.46 H new ATOM 0 HB3 LEU A 83 7.819 32.599 10.118 1.00 27.46 H new ATOM 0 HG LEU A 83 8.286 29.936 10.932 1.00 26.83 H new ATOM 0 HD11 LEU A 83 7.823 29.484 8.697 1.00 29.44 H new ATOM 0 HD12 LEU A 83 6.582 30.230 9.340 1.00 29.44 H new ATOM 0 HD13 LEU A 83 7.594 31.026 8.418 1.00 29.44 H new ATOM 0 HD21 LEU A 83 10.156 30.032 9.579 1.00 30.24 H new ATOM 0 HD22 LEU A 83 9.876 31.561 9.275 1.00 30.24 H new ATOM 0 HD23 LEU A 83 10.295 31.107 10.734 1.00 30.24 H new ATOM 635 N LEU A 84 7.116 34.531 12.099 1.00 21.30 N ATOM 636 CA LEU A 84 6.776 35.940 11.942 1.00 28.00 C ATOM 637 C LEU A 84 7.573 36.813 12.894 1.00 29.39 C ATOM 638 O LEU A 84 7.870 37.970 12.576 1.00 34.90 O ATOM 639 CB LEU A 84 5.275 36.144 12.161 1.00 28.72 C ATOM 640 CG LEU A 84 4.278 35.898 11.017 1.00 35.02 C ATOM 641 CD1 LEU A 84 4.675 34.746 10.104 1.00 35.04 C ATOM 642 CD2 LEU A 84 2.887 35.656 11.589 1.00 36.29 C ATOM 0 H LEU A 84 6.454 34.025 12.314 1.00 21.30 H new ATOM 0 HA LEU A 84 7.005 36.206 11.038 1.00 28.00 H new ATOM 0 HB2 LEU A 84 5.013 35.570 12.897 1.00 28.72 H new ATOM 0 HB3 LEU A 84 5.151 37.059 12.457 1.00 28.72 H new ATOM 0 HG LEU A 84 4.282 36.697 10.467 1.00 35.02 H new ATOM 0 HD11 LEU A 84 4.009 34.642 9.406 1.00 35.04 H new ATOM 0 HD12 LEU A 84 5.538 34.934 9.702 1.00 35.04 H new ATOM 0 HD13 LEU A 84 4.731 33.927 10.621 1.00 35.04 H new ATOM 0 HD21 LEU A 84 2.261 35.501 10.864 1.00 36.29 H new ATOM 0 HD22 LEU A 84 2.906 34.880 12.170 1.00 36.29 H new ATOM 0 HD23 LEU A 84 2.606 36.433 12.098 1.00 36.29 H new ATOM 643 N ARG A 85 7.932 36.277 14.055 1.00 21.43 N ATOM 644 CA ARG A 85 8.710 36.999 15.049 1.00 19.92 C ATOM 645 C ARG A 85 10.212 36.831 14.861 1.00 18.56 C ATOM 646 O ARG A 85 10.981 37.482 15.574 1.00 25.95 O ATOM 647 CB ARG A 85 8.332 36.535 16.456 1.00 19.89 C ATOM 648 CG ARG A 85 6.913 36.863 16.902 1.00 27.86 C ATOM 649 CD ARG A 85 6.756 36.483 18.366 1.00 30.42 C ATOM 650 NE ARG A 85 5.386 36.583 18.857 1.00 42.86 N ATOM 651 CZ ARG A 85 4.979 37.492 19.737 1.00 51.34 C ATOM 652 NH1 ARG A 85 3.716 37.515 20.135 1.00 54.81 N ATOM 653 NH2 ARG A 85 5.840 38.376 20.223 1.00 48.75 N ATOM 0 H ARG A 85 7.728 35.475 14.289 1.00 21.43 H new ATOM 0 HA ARG A 85 8.499 37.939 14.932 1.00 19.92 H new ATOM 0 HB2 ARG A 85 8.455 35.574 16.505 1.00 19.89 H new ATOM 0 HB3 ARG A 85 8.952 36.933 17.087 1.00 19.89 H new ATOM 0 HG2 ARG A 85 6.733 37.808 16.780 1.00 27.86 H new ATOM 0 HG3 ARG A 85 6.271 36.380 16.359 1.00 27.86 H new ATOM 0 HD2 ARG A 85 7.070 35.574 18.491 1.00 30.42 H new ATOM 0 HD3 ARG A 85 7.326 37.056 18.903 1.00 30.42 H new ATOM 0 HE ARG A 85 4.808 36.021 18.559 1.00 42.86 H new ATOM 0 HH11 ARG A 85 3.157 36.941 19.824 1.00 54.81 H new ATOM 0 HH12 ARG A 85 3.455 38.104 20.705 1.00 54.81 H new ATOM 0 HH21 ARG A 85 6.661 38.361 19.969 1.00 48.75 H new ATOM 0 HH22 ARG A 85 5.577 38.964 20.792 1.00 48.75 H new ATOM 654 N GLY A 86 10.642 35.976 13.936 1.00 16.86 N ATOM 655 CA GLY A 86 12.054 35.697 13.783 1.00 15.27 C ATOM 656 C GLY A 86 12.672 34.914 14.921 1.00 10.48 C ATOM 657 O GLY A 86 13.886 34.994 15.123 1.00 13.40 O ATOM 0 H GLY A 86 10.129 35.551 13.392 1.00 16.86 H new ATOM 0 HA2 GLY A 86 12.186 35.204 12.958 1.00 15.27 H new ATOM 0 HA3 GLY A 86 12.529 36.538 13.690 1.00 15.27 H new ATOM 658 N LEU A 87 11.873 34.146 15.660 1.00 10.78 N ATOM 659 CA LEU A 87 12.365 33.397 16.807 1.00 9.93 C ATOM 660 C LEU A 87 13.222 32.209 16.369 1.00 9.84 C ATOM 661 O LEU A 87 13.138 31.717 15.242 1.00 10.39 O ATOM 662 CB LEU A 87 11.193 32.904 17.656 1.00 9.28 C ATOM 663 CG LEU A 87 10.345 34.000 18.293 1.00 15.39 C ATOM 664 CD1 LEU A 87 9.248 33.351 19.138 1.00 14.51 C ATOM 665 CD2 LEU A 87 11.215 34.926 19.132 1.00 16.37 C ATOM 0 H LEU A 87 11.032 34.047 15.508 1.00 10.78 H new ATOM 0 HA LEU A 87 12.919 33.993 17.336 1.00 9.93 H new ATOM 0 HB2 LEU A 87 10.619 32.353 17.101 1.00 9.28 H new ATOM 0 HB3 LEU A 87 11.540 32.333 18.360 1.00 9.28 H new ATOM 0 HG LEU A 87 9.931 34.540 17.601 1.00 15.39 H new ATOM 0 HD11 LEU A 87 8.703 34.041 19.547 1.00 14.51 H new ATOM 0 HD12 LEU A 87 8.691 32.793 18.573 1.00 14.51 H new ATOM 0 HD13 LEU A 87 9.653 32.806 19.831 1.00 14.51 H new ATOM 0 HD21 LEU A 87 10.663 35.617 19.530 1.00 16.37 H new ATOM 0 HD22 LEU A 87 11.649 34.415 19.833 1.00 16.37 H new ATOM 0 HD23 LEU A 87 11.889 35.337 18.568 1.00 16.37 H new ATOM 666 N SER A 88 14.056 31.759 17.288 1.00 8.17 N ATOM 667 CA SER A 88 14.948 30.625 17.084 1.00 7.66 C ATOM 668 C SER A 88 14.214 29.422 16.488 1.00 9.95 C ATOM 669 O SER A 88 13.267 28.912 17.104 1.00 9.55 O ATOM 670 CB SER A 88 15.566 30.221 18.423 1.00 10.17 C ATOM 671 OG SER A 88 16.209 28.956 18.304 1.00 11.33 O ATOM 0 H SER A 88 14.124 32.111 18.070 1.00 8.17 H new ATOM 0 HA SER A 88 15.636 30.897 16.457 1.00 7.66 H new ATOM 0 HB2 SER A 88 16.207 30.892 18.707 1.00 10.17 H new ATOM 0 HB3 SER A 88 14.878 30.179 19.105 1.00 10.17 H new ATOM 0 HG SER A 88 16.864 29.023 17.783 1.00 11.33 H new ATOM 672 N PRO A 89 14.635 28.921 15.329 1.00 8.19 N ATOM 673 CA PRO A 89 14.069 27.651 14.851 1.00 7.60 C ATOM 674 C PRO A 89 14.384 26.484 15.766 1.00 8.54 C ATOM 675 O PRO A 89 13.556 25.572 15.913 1.00 9.61 O ATOM 676 CB PRO A 89 14.711 27.475 13.465 1.00 10.58 C ATOM 677 CG PRO A 89 15.146 28.876 13.062 1.00 11.52 C ATOM 678 CD PRO A 89 15.531 29.552 14.346 1.00 9.21 C ATOM 0 HA PRO A 89 13.100 27.671 14.825 1.00 7.60 H new ATOM 0 HB2 PRO A 89 15.467 26.868 13.501 1.00 10.58 H new ATOM 0 HB3 PRO A 89 14.080 27.105 12.828 1.00 10.58 H new ATOM 0 HG2 PRO A 89 15.893 28.847 12.443 1.00 11.52 H new ATOM 0 HG3 PRO A 89 14.427 29.352 12.617 1.00 11.52 H new ATOM 0 HD2 PRO A 89 16.465 29.405 14.564 1.00 9.21 H new ATOM 0 HD3 PRO A 89 15.398 30.512 14.301 1.00 9.21 H new ATOM 679 N ALA A 90 15.559 26.486 16.403 1.00 8.36 N ATOM 680 CA ALA A 90 15.898 25.402 17.315 1.00 8.76 C ATOM 681 C ALA A 90 14.934 25.360 18.491 1.00 8.85 C ATOM 682 O ALA A 90 14.482 24.283 18.900 1.00 10.71 O ATOM 683 CB ALA A 90 17.346 25.558 17.796 1.00 9.87 C ATOM 0 H ALA A 90 16.160 27.095 16.320 1.00 8.36 H new ATOM 0 HA ALA A 90 15.818 24.560 16.841 1.00 8.76 H new ATOM 0 HB1 ALA A 90 17.566 24.834 18.403 1.00 9.87 H new ATOM 0 HB2 ALA A 90 17.945 25.533 17.033 1.00 9.87 H new ATOM 0 HB3 ALA A 90 17.445 26.406 18.257 1.00 9.87 H new ATOM 684 N GLU A 91 14.580 26.525 19.030 1.00 8.81 N ATOM 685 CA GLU A 91 13.626 26.532 20.130 1.00 9.07 C ATOM 686 C GLU A 91 12.226 26.140 19.675 1.00 8.09 C ATOM 687 O GLU A 91 11.495 25.493 20.436 1.00 10.00 O ATOM 688 CB GLU A 91 13.633 27.903 20.795 1.00 8.71 C ATOM 689 CG GLU A 91 14.966 28.136 21.476 1.00 11.96 C ATOM 690 CD GLU A 91 15.055 29.448 22.197 1.00 14.61 C ATOM 691 OE1 GLU A 91 14.018 30.083 22.467 1.00 15.37 O ATOM 692 OE2 GLU A 91 16.190 29.859 22.493 1.00 13.25 O ATOM 0 H GLU A 91 14.870 27.296 18.783 1.00 8.81 H new ATOM 0 HA GLU A 91 13.898 25.863 20.778 1.00 9.07 H new ATOM 0 HB2 GLU A 91 13.473 28.594 20.133 1.00 8.71 H new ATOM 0 HB3 GLU A 91 12.914 27.961 21.444 1.00 8.71 H new ATOM 0 HG2 GLU A 91 15.127 27.418 22.108 1.00 11.96 H new ATOM 0 HG3 GLU A 91 15.671 28.093 20.811 1.00 11.96 H new ATOM 693 N ALA A 92 11.840 26.510 18.445 1.00 7.92 N ATOM 694 CA ALA A 92 10.554 26.064 17.915 1.00 8.59 C ATOM 695 C ALA A 92 10.509 24.544 17.809 1.00 6.98 C ATOM 696 O ALA A 92 9.504 23.913 18.173 1.00 8.20 O ATOM 697 CB ALA A 92 10.299 26.717 16.558 1.00 7.86 C ATOM 0 H ALA A 92 12.300 27.008 17.916 1.00 7.92 H new ATOM 0 HA ALA A 92 9.851 26.335 18.526 1.00 8.59 H new ATOM 0 HB1 ALA A 92 9.444 26.418 16.210 1.00 7.86 H new ATOM 0 HB2 ALA A 92 10.286 27.682 16.660 1.00 7.86 H new ATOM 0 HB3 ALA A 92 11.004 26.467 15.941 1.00 7.86 H new ATOM 698 N ARG A 93 11.609 23.940 17.338 1.00 8.82 N ATOM 699 CA ARG A 93 11.718 22.484 17.294 1.00 8.33 C ATOM 700 C ARG A 93 11.577 21.871 18.681 1.00 8.34 C ATOM 701 O ARG A 93 10.860 20.877 18.857 1.00 8.23 O ATOM 702 CB ARG A 93 13.055 22.087 16.669 1.00 9.37 C ATOM 703 CG ARG A 93 13.198 20.589 16.454 1.00 8.94 C ATOM 704 CD ARG A 93 14.579 20.248 15.857 1.00 9.74 C ATOM 705 NE ARG A 93 15.641 20.749 16.715 1.00 12.07 N ATOM 706 CZ ARG A 93 16.626 21.552 16.321 1.00 13.56 C ATOM 707 NH1 ARG A 93 17.520 21.977 17.205 1.00 13.54 N ATOM 708 NH2 ARG A 93 16.725 21.918 15.056 1.00 12.29 N ATOM 0 H ARG A 93 12.299 24.359 17.041 1.00 8.82 H new ATOM 0 HA ARG A 93 10.993 22.141 16.749 1.00 8.33 H new ATOM 0 HB2 ARG A 93 13.154 22.540 15.817 1.00 9.37 H new ATOM 0 HB3 ARG A 93 13.776 22.396 17.240 1.00 9.37 H new ATOM 0 HG2 ARG A 93 13.083 20.125 17.298 1.00 8.94 H new ATOM 0 HG3 ARG A 93 12.498 20.275 15.860 1.00 8.94 H new ATOM 0 HD2 ARG A 93 14.665 19.287 15.754 1.00 9.74 H new ATOM 0 HD3 ARG A 93 14.660 20.637 14.972 1.00 9.74 H new ATOM 0 HE ARG A 93 15.632 20.508 17.540 1.00 12.07 H new ATOM 0 HH11 ARG A 93 17.461 21.733 18.028 1.00 13.54 H new ATOM 0 HH12 ARG A 93 18.159 22.496 16.955 1.00 13.54 H new ATOM 0 HH21 ARG A 93 16.151 21.637 14.481 1.00 12.29 H new ATOM 0 HH22 ARG A 93 17.364 22.437 14.807 1.00 12.29 H new ATOM 709 N GLN A 94 12.250 22.457 19.684 1.00 8.42 N ATOM 710 CA GLN A 94 12.154 21.953 21.050 1.00 8.77 C ATOM 711 C GLN A 94 10.728 22.050 21.577 1.00 7.27 C ATOM 712 O GLN A 94 10.226 21.112 22.203 1.00 9.16 O ATOM 713 CB GLN A 94 13.103 22.726 21.966 1.00 14.05 C ATOM 714 CG GLN A 94 14.567 22.574 21.627 1.00 20.30 C ATOM 715 CD GLN A 94 15.399 23.768 22.078 1.00 34.17 C ATOM 716 OE1 GLN A 94 15.025 24.494 23.003 1.00 34.38 O ATOM 717 NE2 GLN A 94 16.524 23.985 21.409 1.00 30.37 N ATOM 0 H GLN A 94 12.762 23.142 19.589 1.00 8.42 H new ATOM 0 HA GLN A 94 12.409 21.017 21.041 1.00 8.77 H new ATOM 0 HB2 GLN A 94 12.871 23.667 21.932 1.00 14.05 H new ATOM 0 HB3 GLN A 94 12.962 22.432 22.880 1.00 14.05 H new ATOM 0 HG2 GLN A 94 14.910 21.769 22.044 1.00 20.30 H new ATOM 0 HG3 GLN A 94 14.664 22.460 20.669 1.00 20.30 H new ATOM 0 HE21 GLN A 94 16.753 23.457 20.770 1.00 30.37 H new ATOM 0 HE22 GLN A 94 17.025 24.653 21.615 1.00 30.37 H new ATOM 718 N ASN A 95 10.062 23.178 21.330 1.00 8.09 N ATOM 719 CA ASN A 95 8.702 23.351 21.831 1.00 6.76 C ATOM 720 C ASN A 95 7.746 22.382 21.154 1.00 8.12 C ATOM 721 O ASN A 95 6.924 21.744 21.824 1.00 7.38 O ATOM 722 CB ASN A 95 8.241 24.792 21.618 1.00 7.24 C ATOM 723 CG ASN A 95 9.022 25.790 22.453 1.00 10.40 C ATOM 724 OD1 ASN A 95 9.628 25.436 23.477 1.00 11.65 O ATOM 725 ND2 ASN A 95 9.020 27.048 22.015 1.00 9.32 N ATOM 0 H ASN A 95 10.374 23.843 20.883 1.00 8.09 H new ATOM 0 HA ASN A 95 8.701 23.159 22.782 1.00 6.76 H new ATOM 0 HB2 ASN A 95 8.332 25.021 20.680 1.00 7.24 H new ATOM 0 HB3 ASN A 95 7.299 24.861 21.837 1.00 7.24 H new ATOM 0 HD21 ASN A 95 9.451 27.654 22.447 1.00 9.32 H new ATOM 0 HD22 ASN A 95 8.588 27.254 21.301 1.00 9.32 H new ATOM 726 N LEU A 96 7.857 22.246 19.828 1.00 8.39 N ATOM 727 CA LEU A 96 7.032 21.276 19.115 1.00 8.72 C ATOM 728 C LEU A 96 7.308 19.859 19.600 1.00 8.75 C ATOM 729 O LEU A 96 6.386 19.038 19.683 1.00 9.25 O ATOM 730 CB LEU A 96 7.266 21.384 17.603 1.00 8.89 C ATOM 731 CG LEU A 96 6.484 22.512 16.932 1.00 9.48 C ATOM 732 CD1 LEU A 96 7.095 22.869 15.590 1.00 8.63 C ATOM 733 CD2 LEU A 96 4.992 22.158 16.772 1.00 11.52 C ATOM 0 H LEU A 96 8.395 22.699 19.334 1.00 8.39 H new ATOM 0 HA LEU A 96 6.102 21.478 19.300 1.00 8.72 H new ATOM 0 HB2 LEU A 96 8.213 21.518 17.440 1.00 8.89 H new ATOM 0 HB3 LEU A 96 7.023 20.542 17.187 1.00 8.89 H new ATOM 0 HG LEU A 96 6.540 23.287 17.513 1.00 9.48 H new ATOM 0 HD11 LEU A 96 6.584 23.586 15.182 1.00 8.63 H new ATOM 0 HD12 LEU A 96 8.012 23.158 15.718 1.00 8.63 H new ATOM 0 HD13 LEU A 96 7.080 22.091 15.010 1.00 8.63 H new ATOM 0 HD21 LEU A 96 4.529 22.895 16.344 1.00 11.52 H new ATOM 0 HD22 LEU A 96 4.905 21.361 16.226 1.00 11.52 H new ATOM 0 HD23 LEU A 96 4.602 21.995 17.645 1.00 11.52 H new ATOM 734 N SER A 97 8.571 19.546 19.920 1.00 7.07 N ATOM 735 CA SER A 97 8.879 18.223 20.460 1.00 8.82 C ATOM 736 C SER A 97 8.097 17.953 21.736 1.00 8.63 C ATOM 737 O SER A 97 7.609 16.840 21.948 1.00 11.24 O ATOM 738 CB SER A 97 10.375 18.092 20.751 1.00 10.47 C ATOM 739 OG SER A 97 11.129 18.137 19.563 1.00 15.05 O ATOM 0 H SER A 97 9.245 20.073 19.834 1.00 7.07 H new ATOM 0 HA SER A 97 8.622 17.571 19.790 1.00 8.82 H new ATOM 0 HB2 SER A 97 10.656 18.807 21.343 1.00 10.47 H new ATOM 0 HB3 SER A 97 10.545 17.257 21.214 1.00 10.47 H new ATOM 0 HG SER A 97 11.120 18.918 19.255 1.00 15.05 H new ATOM 740 N GLY A 98 7.989 18.962 22.607 1.00 7.16 N ATOM 741 CA GLY A 98 7.244 18.781 23.842 1.00 7.89 C ATOM 742 C GLY A 98 5.768 18.538 23.595 1.00 9.23 C ATOM 743 O GLY A 98 5.134 17.745 24.294 1.00 10.96 O ATOM 0 H GLY A 98 8.335 19.742 22.499 1.00 7.16 H new ATOM 0 HA2 GLY A 98 7.615 18.032 24.334 1.00 7.89 H new ATOM 0 HA3 GLY A 98 7.351 19.567 24.400 1.00 7.89 H new ATOM 744 N ILE A 99 5.203 19.208 22.589 1.00 8.70 N ATOM 745 CA ILE A 99 3.806 18.965 22.234 1.00 8.01 C ATOM 746 C ILE A 99 3.628 17.545 21.722 1.00 8.93 C ATOM 747 O ILE A 99 2.722 16.820 22.151 1.00 8.53 O ATOM 748 CB ILE A 99 3.331 19.986 21.189 1.00 7.94 C ATOM 749 CG1 ILE A 99 3.357 21.399 21.764 1.00 7.60 C ATOM 750 CG2 ILE A 99 1.924 19.645 20.693 1.00 9.85 C ATOM 751 CD1 ILE A 99 3.270 22.468 20.708 1.00 9.40 C ATOM 0 H ILE A 99 5.604 19.797 22.108 1.00 8.70 H new ATOM 0 HA ILE A 99 3.262 19.071 23.030 1.00 8.01 H new ATOM 0 HB ILE A 99 3.941 19.946 20.436 1.00 7.94 H new ATOM 0 HG12 ILE A 99 2.618 21.504 22.384 1.00 7.60 H new ATOM 0 HG13 ILE A 99 4.174 21.520 22.273 1.00 7.60 H new ATOM 0 HG21 ILE A 99 1.645 20.301 20.035 1.00 9.85 H new ATOM 0 HG22 ILE A 99 1.928 18.764 20.288 1.00 9.85 H new ATOM 0 HG23 ILE A 99 1.306 19.654 21.441 1.00 9.85 H new ATOM 0 HD11 ILE A 99 3.291 23.342 21.129 1.00 9.40 H new ATOM 0 HD12 ILE A 99 4.021 22.385 20.100 1.00 9.40 H new ATOM 0 HD13 ILE A 99 2.442 22.368 20.213 1.00 9.40 H new ATOM 752 N LEU A 100 4.483 17.126 20.788 1.00 8.28 N ATOM 753 CA LEU A 100 4.340 15.784 20.236 1.00 9.03 C ATOM 754 C LEU A 100 4.602 14.714 21.286 1.00 9.67 C ATOM 755 O LEU A 100 3.954 13.663 21.261 1.00 10.62 O ATOM 756 CB LEU A 100 5.278 15.602 19.039 1.00 8.59 C ATOM 757 CG LEU A 100 5.098 16.650 17.936 1.00 10.86 C ATOM 758 CD1 LEU A 100 5.810 16.209 16.664 1.00 15.91 C ATOM 759 CD2 LEU A 100 3.626 16.939 17.649 1.00 14.92 C ATOM 0 H LEU A 100 5.134 17.589 20.470 1.00 8.28 H new ATOM 0 HA LEU A 100 3.423 15.682 19.938 1.00 9.03 H new ATOM 0 HB2 LEU A 100 6.196 15.631 19.352 1.00 8.59 H new ATOM 0 HB3 LEU A 100 5.135 14.720 18.660 1.00 8.59 H new ATOM 0 HG LEU A 100 5.496 17.475 18.255 1.00 10.86 H new ATOM 0 HD11 LEU A 100 5.688 16.881 15.975 1.00 15.91 H new ATOM 0 HD12 LEU A 100 6.757 16.100 16.844 1.00 15.91 H new ATOM 0 HD13 LEU A 100 5.439 15.365 16.361 1.00 15.91 H new ATOM 0 HD21 LEU A 100 3.558 17.605 16.947 1.00 14.92 H new ATOM 0 HD22 LEU A 100 3.185 16.123 17.364 1.00 14.92 H new ATOM 0 HD23 LEU A 100 3.199 17.272 18.453 1.00 14.92 H new ATOM 760 N GLU A 101 5.526 14.966 22.222 1.00 9.61 N ATOM 761 CA GLU A 101 5.798 13.986 23.270 1.00 14.25 C ATOM 762 C GLU A 101 4.576 13.763 24.152 1.00 12.52 C ATOM 763 O GLU A 101 4.296 12.632 24.565 1.00 14.55 O ATOM 764 CB GLU A 101 6.995 14.427 24.110 1.00 13.24 C ATOM 765 CG GLU A 101 8.296 13.925 23.536 1.00 22.74 C ATOM 766 CD GLU A 101 9.531 14.573 24.122 1.00 40.57 C ATOM 767 OE1 GLU A 101 9.408 15.435 25.019 1.00 39.39 O ATOM 768 OE2 GLU A 101 10.635 14.209 23.669 1.00 26.89 O ATOM 0 H GLU A 101 5.996 15.685 22.265 1.00 9.61 H new ATOM 0 HA GLU A 101 6.011 13.141 22.843 1.00 14.25 H new ATOM 0 HB2 GLU A 101 7.016 15.395 24.160 1.00 13.24 H new ATOM 0 HB3 GLU A 101 6.893 14.098 25.017 1.00 13.24 H new ATOM 0 HG2 GLU A 101 8.350 12.967 23.676 1.00 22.74 H new ATOM 0 HG3 GLU A 101 8.292 14.072 22.577 1.00 22.74 H new ATOM 769 N GLU A 102 3.828 14.826 24.442 1.00 9.31 N ATOM 770 CA GLU A 102 2.623 14.666 25.245 1.00 10.69 C ATOM 771 C GLU A 102 1.562 13.878 24.490 1.00 11.78 C ATOM 772 O GLU A 102 0.906 12.994 25.058 1.00 12.14 O ATOM 773 CB GLU A 102 2.095 16.040 25.657 1.00 11.56 C ATOM 774 CG GLU A 102 0.787 15.988 26.415 1.00 12.79 C ATOM 775 CD GLU A 102 0.944 15.394 27.805 1.00 16.79 C ATOM 776 OE1 GLU A 102 2.087 15.320 28.303 1.00 23.53 O ATOM 777 OE2 GLU A 102 -0.080 14.991 28.392 1.00 15.29 O ATOM 0 H GLU A 102 3.997 15.630 24.189 1.00 9.31 H new ATOM 0 HA GLU A 102 2.844 14.162 26.044 1.00 10.69 H new ATOM 0 HB2 GLU A 102 2.761 16.482 26.207 1.00 11.56 H new ATOM 0 HB3 GLU A 102 1.978 16.584 24.862 1.00 11.56 H new ATOM 0 HG2 GLU A 102 0.423 16.884 26.489 1.00 12.79 H new ATOM 0 HG3 GLU A 102 0.146 15.462 25.912 1.00 12.79 H new ATOM 778 N LEU A 103 1.383 14.173 23.205 1.00 9.08 N ATOM 779 CA LEU A 103 0.430 13.404 22.412 1.00 7.45 C ATOM 780 C LEU A 103 0.837 11.943 22.338 1.00 11.53 C ATOM 781 O LEU A 103 -0.006 11.049 22.473 1.00 11.65 O ATOM 782 CB LEU A 103 0.318 14.009 21.015 1.00 9.15 C ATOM 783 CG LEU A 103 -0.360 15.381 20.980 1.00 7.78 C ATOM 784 CD1 LEU A 103 -0.066 16.089 19.659 1.00 9.98 C ATOM 785 CD2 LEU A 103 -1.853 15.225 21.195 1.00 8.68 C ATOM 0 H LEU A 103 1.793 14.799 22.782 1.00 9.08 H new ATOM 0 HA LEU A 103 -0.438 13.444 22.842 1.00 7.45 H new ATOM 0 HB2 LEU A 103 1.207 14.089 20.635 1.00 9.15 H new ATOM 0 HB3 LEU A 103 -0.179 13.399 20.448 1.00 9.15 H new ATOM 0 HG LEU A 103 -0.003 15.929 21.696 1.00 7.78 H new ATOM 0 HD11 LEU A 103 -0.502 16.956 19.652 1.00 9.98 H new ATOM 0 HD12 LEU A 103 0.892 16.208 19.562 1.00 9.98 H new ATOM 0 HD13 LEU A 103 -0.401 15.553 18.923 1.00 9.98 H new ATOM 0 HD21 LEU A 103 -2.276 16.097 21.172 1.00 8.68 H new ATOM 0 HD22 LEU A 103 -2.225 14.667 20.494 1.00 8.68 H new ATOM 0 HD23 LEU A 103 -2.014 14.811 22.057 1.00 8.68 H new ATOM 786 N GLN A 104 2.132 11.684 22.142 1.00 10.75 N ATOM 787 CA GLN A 104 2.627 10.312 22.075 1.00 15.82 C ATOM 788 C GLN A 104 2.449 9.592 23.404 1.00 14.92 C ATOM 789 O GLN A 104 2.128 8.395 23.433 1.00 14.63 O ATOM 790 CB GLN A 104 4.098 10.325 21.678 1.00 18.97 C ATOM 791 CG GLN A 104 4.588 9.060 21.030 1.00 28.41 C ATOM 792 CD GLN A 104 6.004 9.217 20.539 1.00 24.25 C ATOM 793 OE1 GLN A 104 6.866 9.698 21.270 1.00 27.77 O ATOM 794 NE2 GLN A 104 6.252 8.820 19.300 1.00 30.64 N ATOM 0 H GLN A 104 2.736 12.288 22.046 1.00 10.75 H new ATOM 0 HA GLN A 104 2.112 9.831 21.409 1.00 15.82 H new ATOM 0 HB2 GLN A 104 4.249 11.065 21.069 1.00 18.97 H new ATOM 0 HB3 GLN A 104 4.632 10.496 22.470 1.00 18.97 H new ATOM 0 HG2 GLN A 104 4.542 8.328 21.665 1.00 28.41 H new ATOM 0 HG3 GLN A 104 4.009 8.828 20.287 1.00 28.41 H new ATOM 0 HE21 GLN A 104 5.620 8.488 18.820 1.00 30.64 H new ATOM 0 HE22 GLN A 104 7.045 8.894 18.975 1.00 30.64 H new ATOM 795 N AARG A 105 2.660 10.307 24.513 0.53 13.50 N ATOM 796 N BARG A 105 2.672 10.296 24.515 0.47 13.53 N ATOM 797 CA AARG A 105 2.454 9.734 25.842 0.53 14.44 C ATOM 798 CA BARG A 105 2.451 9.702 25.829 0.47 14.43 C ATOM 799 C AARG A 105 1.036 9.199 25.995 0.53 13.54 C ATOM 800 C BARG A 105 1.034 9.164 25.954 0.47 13.54 C ATOM 801 O AARG A 105 0.817 8.160 26.631 0.53 16.65 O ATOM 802 O BARG A 105 0.812 8.087 26.523 0.47 16.42 O ATOM 803 CB AARG A 105 2.753 10.797 26.906 0.53 16.03 C ATOM 804 CB BARG A 105 2.731 10.740 26.918 0.47 16.01 C ATOM 805 CG AARG A 105 3.235 10.272 28.249 0.53 22.11 C ATOM 806 CG BARG A 105 2.713 10.202 28.333 0.47 19.78 C ATOM 807 CD AARG A 105 4.317 11.171 28.858 0.53 19.41 C ATOM 808 CD BARG A 105 2.954 11.319 29.344 0.47 16.12 C ATOM 809 NE AARG A 105 4.060 12.603 28.691 0.53 18.78 N ATOM 810 NE BARG A 105 1.800 12.205 29.483 0.47 16.86 N ATOM 811 CZ AARG A 105 4.971 13.477 28.269 0.53 19.55 C ATOM 812 CZ BARG A 105 0.680 11.879 30.120 0.47 20.87 C ATOM 813 NH1AARG A 105 6.193 13.060 27.969 0.53 19.73 N ATOM 814 NH1BARG A 105 0.555 10.679 30.679 0.47 18.51 N ATOM 815 NH2AARG A 105 4.668 14.764 28.145 0.53 10.39 N ATOM 816 NH2BARG A 105 -0.318 12.748 30.194 0.47 14.45 N ATOM 0 H AARG A 105 2.923 11.126 24.515 0.53 13.53 H new ATOM 0 H BARG A 105 2.948 11.110 24.528 0.47 13.53 H new ATOM 0 HA AARG A 105 3.060 8.986 25.959 0.53 14.43 H new ATOM 0 HA BARG A 105 3.060 8.955 25.938 0.47 14.43 H new ATOM 0 HB2AARG A 105 3.425 11.402 26.554 0.53 16.01 H new ATOM 0 HB2BARG A 105 3.598 11.140 26.749 0.47 16.01 H new ATOM 0 HB3AARG A 105 1.949 11.320 27.052 0.53 16.01 H new ATOM 0 HB3BARG A 105 2.073 11.449 26.847 0.47 16.01 H new ATOM 0 HG2AARG A 105 2.484 10.210 28.860 0.53 19.78 H new ATOM 0 HG2BARG A 105 1.859 9.778 28.511 0.47 19.78 H new ATOM 0 HG3AARG A 105 3.585 9.374 28.138 0.53 19.78 H new ATOM 0 HG3BARG A 105 3.394 9.519 28.432 0.47 19.78 H new ATOM 0 HD2AARG A 105 4.395 10.973 29.804 0.53 16.12 H new ATOM 0 HD2BARG A 105 3.166 10.930 30.207 0.47 16.12 H new ATOM 0 HD3AARG A 105 5.171 10.955 28.452 0.53 16.12 H new ATOM 0 HD3BARG A 105 3.726 11.838 29.070 0.47 16.12 H new ATOM 0 HE AARG A 105 3.273 12.897 28.877 0.53 16.86 H new ATOM 0 HE BARG A 105 1.849 12.988 29.130 0.47 16.86 H new ATOM 0 HH11AARG A 105 6.395 12.228 28.047 0.53 18.51 H new ATOM 0 HH11BARG A 105 1.200 10.112 30.629 0.47 18.51 H new ATOM 0 HH12AARG A 105 6.784 13.622 27.696 0.53 18.51 H new ATOM 0 HH12BARG A 105 -0.170 10.470 31.091 0.47 18.51 H new ATOM 0 HH21AARG A 105 3.877 15.040 28.338 0.53 14.45 H new ATOM 0 HH21BARG A 105 -0.241 13.523 29.830 0.47 14.45 H new ATOM 0 HH22AARG A 105 5.263 15.321 27.872 0.53 14.45 H new ATOM 0 HH22BARG A 105 -1.043 12.537 30.606 0.47 14.45 H new ATOM 817 N ARG A 106 0.062 9.890 25.408 1.00 12.70 N ATOM 818 CA ARG A 106 -1.333 9.499 25.486 1.00 11.47 C ATOM 819 C ARG A 106 -1.758 8.616 24.329 1.00 10.19 C ATOM 820 O ARG A 106 -2.950 8.334 24.195 1.00 12.78 O ATOM 821 CB ARG A 106 -2.215 10.742 25.539 1.00 12.32 C ATOM 822 CG ARG A 106 -1.827 11.694 26.646 1.00 12.27 C ATOM 823 CD ARG A 106 -2.899 12.725 26.834 1.00 18.04 C ATOM 824 NE ARG A 106 -2.488 13.759 27.771 1.00 12.45 N ATOM 825 CZ ARG A 106 -3.332 14.401 28.567 1.00 11.97 C ATOM 826 NH1 ARG A 106 -4.624 14.102 28.542 1.00 12.49 N ATOM 827 NH2 ARG A 106 -2.874 15.331 29.390 1.00 14.67 N ATOM 0 H AARG A 106 0.198 10.605 24.950 0.53 12.70 H new ATOM 0 H BARG A 106 0.198 10.624 24.982 0.47 12.70 H new ATOM 0 HA ARG A 106 -1.440 8.978 26.297 1.00 11.47 H new ATOM 0 HB2 ARG A 106 -2.164 11.205 24.688 1.00 12.32 H new ATOM 0 HB3 ARG A 106 -3.139 10.472 25.660 1.00 12.32 H new ATOM 0 HG2 ARG A 106 -1.691 11.204 27.472 1.00 12.27 H new ATOM 0 HG3 ARG A 106 -0.986 12.126 26.431 1.00 12.27 H new ATOM 0 HD2 ARG A 106 -3.114 13.129 25.979 1.00 18.04 H new ATOM 0 HD3 ARG A 106 -3.707 12.297 27.157 1.00 18.04 H new ATOM 0 HE ARG A 106 -1.654 13.965 27.811 1.00 12.45 H new ATOM 0 HH11 ARG A 106 -4.914 13.492 28.010 1.00 12.49 H new ATOM 0 HH12 ARG A 106 -5.172 14.518 29.058 1.00 12.49 H new ATOM 0 HH21 ARG A 106 -2.034 15.515 29.406 1.00 14.67 H new ATOM 0 HH22 ARG A 106 -3.416 15.751 29.909 1.00 14.67 H new ATOM 828 N LYS A 107 -0.814 8.199 23.478 1.00 11.68 N ATOM 829 CA LYS A 107 -1.100 7.301 22.360 1.00 11.85 C ATOM 830 C LYS A 107 -2.118 7.915 21.398 1.00 12.02 C ATOM 831 O LYS A 107 -2.991 7.225 20.863 1.00 14.83 O ATOM 832 CB LYS A 107 -1.577 5.934 22.865 1.00 16.51 C ATOM 833 CG LYS A 107 -0.503 5.131 23.595 1.00 19.95 C ATOM 834 CD LYS A 107 0.870 5.376 22.994 1.00 30.20 C ATOM 835 CE LYS A 107 1.706 4.111 22.959 1.00 47.07 C ATOM 836 NZ LYS A 107 2.313 3.821 24.282 1.00 50.55 N ATOM 0 H LYS A 107 0.012 8.432 23.536 1.00 11.68 H new ATOM 0 HA LYS A 107 -0.274 7.170 21.868 1.00 11.85 H new ATOM 0 HB2 LYS A 107 -2.331 6.065 23.461 1.00 16.51 H new ATOM 0 HB3 LYS A 107 -1.899 5.415 22.111 1.00 16.51 H new ATOM 0 HG2 LYS A 107 -0.496 5.374 24.534 1.00 19.95 H new ATOM 0 HG3 LYS A 107 -0.715 4.186 23.549 1.00 19.95 H new ATOM 0 HD2 LYS A 107 0.771 5.723 22.094 1.00 30.20 H new ATOM 0 HD3 LYS A 107 1.332 6.055 23.510 1.00 30.20 H new ATOM 0 HE2 LYS A 107 1.152 3.363 22.686 1.00 47.07 H new ATOM 0 HE3 LYS A 107 2.406 4.203 22.294 1.00 47.07 H new ATOM 0 HZ1 LYS A 107 2.796 3.075 24.230 1.00 50.55 H new ATOM 0 HZ2 LYS A 107 2.838 4.498 24.523 1.00 50.55 H new ATOM 0 HZ3 LYS A 107 1.669 3.715 24.887 1.00 50.55 H new ATOM 837 N ILE A 108 -2.009 9.218 21.167 1.00 10.33 N ATOM 838 CA ILE A 108 -2.866 9.919 20.212 1.00 10.74 C ATOM 839 C ILE A 108 -2.106 10.060 18.896 1.00 11.59 C ATOM 840 O ILE A 108 -1.034 10.681 18.880 1.00 10.36 O ATOM 841 CB ILE A 108 -3.304 11.289 20.740 1.00 8.15 C ATOM 842 CG1 ILE A 108 -4.152 11.105 22.000 1.00 9.71 C ATOM 843 CG2 ILE A 108 -4.078 12.045 19.654 1.00 9.55 C ATOM 844 CD1 ILE A 108 -4.443 12.397 22.751 1.00 10.93 C ATOM 0 H ILE A 108 -1.435 9.724 21.560 1.00 10.33 H new ATOM 0 HA ILE A 108 -3.676 9.404 20.074 1.00 10.74 H new ATOM 0 HB ILE A 108 -2.523 11.815 20.972 1.00 8.15 H new ATOM 0 HG12 ILE A 108 -4.993 10.690 21.754 1.00 9.71 H new ATOM 0 HG13 ILE A 108 -3.697 10.491 22.597 1.00 9.71 H new ATOM 0 HG21 ILE A 108 -4.352 12.911 19.995 1.00 9.55 H new ATOM 0 HG22 ILE A 108 -3.509 12.169 18.878 1.00 9.55 H new ATOM 0 HG23 ILE A 108 -4.863 11.534 19.401 1.00 9.55 H new ATOM 0 HD11 ILE A 108 -4.982 12.202 23.534 1.00 10.93 H new ATOM 0 HD12 ILE A 108 -3.608 12.806 23.028 1.00 10.93 H new ATOM 0 HD13 ILE A 108 -4.925 13.007 22.171 1.00 10.93 H new ATOM 845 N PRO A 109 -2.607 9.500 17.793 1.00 10.07 N ATOM 846 CA PRO A 109 -1.931 9.655 16.497 1.00 12.64 C ATOM 847 C PRO A 109 -1.791 11.119 16.105 1.00 8.32 C ATOM 848 O PRO A 109 -2.655 11.946 16.409 1.00 10.27 O ATOM 849 CB PRO A 109 -2.852 8.904 15.526 1.00 13.84 C ATOM 850 CG PRO A 109 -3.616 7.932 16.398 1.00 16.25 C ATOM 851 CD PRO A 109 -3.803 8.646 17.707 1.00 11.36 C ATOM 0 HA PRO A 109 -1.024 9.311 16.505 1.00 12.64 H new ATOM 0 HB2 PRO A 109 -3.452 9.513 15.067 1.00 13.84 H new ATOM 0 HB3 PRO A 109 -2.342 8.440 14.844 1.00 13.84 H new ATOM 0 HG2 PRO A 109 -4.469 7.699 16.000 1.00 16.25 H new ATOM 0 HG3 PRO A 109 -3.123 7.105 16.517 1.00 16.25 H new ATOM 0 HD2 PRO A 109 -4.619 9.170 17.717 1.00 11.36 H new ATOM 0 HD3 PRO A 109 -3.855 8.025 18.450 1.00 11.36 H new ATOM 852 N ILE A 110 -0.701 11.418 15.399 1.00 10.26 N ATOM 853 CA ILE A 110 -0.309 12.784 15.061 1.00 9.51 C ATOM 854 C ILE A 110 -0.258 12.958 13.552 1.00 8.44 C ATOM 855 O ILE A 110 0.363 12.152 12.849 1.00 10.21 O ATOM 856 CB ILE A 110 1.067 13.131 15.646 1.00 8.84 C ATOM 857 CG1 ILE A 110 1.070 12.940 17.159 1.00 12.48 C ATOM 858 CG2 ILE A 110 1.467 14.553 15.256 1.00 9.72 C ATOM 859 CD1 ILE A 110 2.469 12.904 17.740 1.00 11.12 C ATOM 0 H ILE A 110 -0.160 10.821 15.098 1.00 10.26 H new ATOM 0 HA ILE A 110 -0.972 13.380 15.442 1.00 9.51 H new ATOM 0 HB ILE A 110 1.728 12.526 15.274 1.00 8.84 H new ATOM 0 HG12 ILE A 110 0.570 13.661 17.573 1.00 12.48 H new ATOM 0 HG13 ILE A 110 0.611 12.114 17.378 1.00 12.48 H new ATOM 0 HG21 ILE A 110 2.337 14.759 15.632 1.00 9.72 H new ATOM 0 HG22 ILE A 110 1.507 14.624 14.289 1.00 9.72 H new ATOM 0 HG23 ILE A 110 0.811 15.180 15.599 1.00 9.72 H new ATOM 0 HD11 ILE A 110 2.418 12.781 18.701 1.00 11.12 H new ATOM 0 HD12 ILE A 110 2.964 12.168 17.347 1.00 11.12 H new ATOM 0 HD13 ILE A 110 2.922 13.739 17.545 1.00 11.12 H new ATOM 860 N LEU A 111 -0.852 14.045 13.072 1.00 9.28 N ATOM 861 CA LEU A 111 -0.578 14.588 11.745 1.00 8.10 C ATOM 862 C LEU A 111 0.034 15.971 11.928 1.00 8.44 C ATOM 863 O LEU A 111 -0.597 16.854 12.523 1.00 8.93 O ATOM 864 CB LEU A 111 -1.852 14.666 10.900 1.00 9.38 C ATOM 865 CG LEU A 111 -1.706 15.315 9.522 1.00 8.77 C ATOM 866 CD1 LEU A 111 -0.720 14.543 8.639 1.00 11.40 C ATOM 867 CD2 LEU A 111 -3.062 15.443 8.828 1.00 9.82 C ATOM 0 H LEU A 111 -1.435 14.496 13.515 1.00 9.28 H new ATOM 0 HA LEU A 111 0.036 14.005 11.271 1.00 8.10 H new ATOM 0 HB2 LEU A 111 -2.194 13.766 10.779 1.00 9.38 H new ATOM 0 HB3 LEU A 111 -2.521 15.159 11.401 1.00 9.38 H new ATOM 0 HG LEU A 111 -1.348 16.206 9.659 1.00 8.77 H new ATOM 0 HD11 LEU A 111 -0.650 14.978 7.775 1.00 11.40 H new ATOM 0 HD12 LEU A 111 0.152 14.527 9.064 1.00 11.40 H new ATOM 0 HD13 LEU A 111 -1.037 13.634 8.518 1.00 11.40 H new ATOM 0 HD21 LEU A 111 -2.943 15.856 7.959 1.00 9.82 H new ATOM 0 HD22 LEU A 111 -3.453 14.562 8.716 1.00 9.82 H new ATOM 0 HD23 LEU A 111 -3.652 15.992 9.368 1.00 9.82 H new ATOM 868 N LEU A 112 1.253 16.157 11.422 1.00 8.15 N ATOM 869 CA LEU A 112 1.977 17.420 11.542 1.00 8.27 C ATOM 870 C LEU A 112 1.812 18.239 10.263 1.00 6.22 C ATOM 871 O LEU A 112 2.107 17.749 9.166 1.00 9.89 O ATOM 872 CB LEU A 112 3.463 17.159 11.821 1.00 8.39 C ATOM 873 CG LEU A 112 4.351 18.331 12.232 1.00 10.94 C ATOM 874 CD1 LEU A 112 3.871 18.950 13.549 1.00 9.58 C ATOM 875 CD2 LEU A 112 5.795 17.858 12.371 1.00 13.83 C ATOM 0 H LEU A 112 1.686 15.548 10.996 1.00 8.15 H new ATOM 0 HA LEU A 112 1.609 17.923 12.286 1.00 8.27 H new ATOM 0 HB2 LEU A 112 3.517 16.490 12.521 1.00 8.39 H new ATOM 0 HB3 LEU A 112 3.847 16.765 11.022 1.00 8.39 H new ATOM 0 HG LEU A 112 4.299 19.012 11.543 1.00 10.94 H new ATOM 0 HD11 LEU A 112 4.450 19.691 13.789 1.00 9.58 H new ATOM 0 HD12 LEU A 112 2.962 19.272 13.443 1.00 9.58 H new ATOM 0 HD13 LEU A 112 3.897 18.280 14.250 1.00 9.58 H new ATOM 0 HD21 LEU A 112 6.357 18.605 12.632 1.00 13.83 H new ATOM 0 HD22 LEU A 112 5.845 17.164 13.047 1.00 13.83 H new ATOM 0 HD23 LEU A 112 6.103 17.504 11.522 1.00 13.83 H new ATOM 876 N MET A 113 1.361 19.486 10.408 1.00 7.33 N ATOM 877 CA MET A 113 1.233 20.401 9.275 1.00 8.05 C ATOM 878 C MET A 113 2.526 21.194 9.120 1.00 9.68 C ATOM 879 O MET A 113 2.861 22.026 9.975 1.00 10.35 O ATOM 880 CB MET A 113 0.042 21.338 9.463 1.00 8.57 C ATOM 881 CG MET A 113 -1.297 20.652 9.521 1.00 7.31 C ATOM 882 SD MET A 113 -1.555 19.594 8.079 1.00 11.72 S ATOM 883 CE MET A 113 -3.356 19.584 7.978 1.00 11.05 C ATOM 0 H MET A 113 1.122 19.823 11.162 1.00 7.33 H new ATOM 0 HA MET A 113 1.075 19.886 8.468 1.00 8.05 H new ATOM 0 HB2 MET A 113 0.169 21.842 10.282 1.00 8.57 H new ATOM 0 HB3 MET A 113 0.032 21.978 8.735 1.00 8.57 H new ATOM 0 HG2 MET A 113 -1.355 20.120 10.330 1.00 7.31 H new ATOM 0 HG3 MET A 113 -2.002 21.317 9.567 1.00 7.31 H new ATOM 0 HE1 MET A 113 -3.687 18.697 8.189 1.00 11.05 H new ATOM 0 HE2 MET A 113 -3.719 20.224 8.610 1.00 11.05 H new ATOM 0 HE3 MET A 113 -3.631 19.826 7.080 1.00 11.05 H new ATOM 884 N GLY A 114 3.241 20.949 8.025 1.00 7.52 N ATOM 885 CA GLY A 114 4.539 21.579 7.828 1.00 7.15 C ATOM 886 C GLY A 114 4.399 23.045 7.456 1.00 9.43 C ATOM 887 O GLY A 114 3.576 23.411 6.610 1.00 9.19 O ATOM 0 H GLY A 114 2.993 20.425 7.390 1.00 7.52 H new ATOM 0 HA2 GLY A 114 5.065 21.499 8.639 1.00 7.15 H new ATOM 0 HA3 GLY A 114 5.023 21.112 7.129 1.00 7.15 H new ATOM 888 N MET A 115 5.203 23.892 8.092 1.00 6.73 N ATOM 889 CA MET A 115 5.235 25.319 7.815 1.00 7.75 C ATOM 890 C MET A 115 6.519 25.656 7.075 1.00 8.73 C ATOM 891 O MET A 115 7.526 24.953 7.203 1.00 9.74 O ATOM 892 CB MET A 115 5.137 26.136 9.107 1.00 8.95 C ATOM 893 CG MET A 115 3.992 25.717 10.013 1.00 8.18 C ATOM 894 SD MET A 115 2.360 25.882 9.234 1.00 13.69 S ATOM 895 CE MET A 115 2.334 27.610 8.827 1.00 15.17 C ATOM 0 H MET A 115 5.753 23.647 8.706 1.00 6.73 H new ATOM 0 HA MET A 115 4.470 25.547 7.264 1.00 7.75 H new ATOM 0 HB2 MET A 115 5.971 26.054 9.595 1.00 8.95 H new ATOM 0 HB3 MET A 115 5.032 27.073 8.880 1.00 8.95 H new ATOM 0 HG2 MET A 115 4.123 24.794 10.283 1.00 8.18 H new ATOM 0 HG3 MET A 115 4.014 26.254 10.820 1.00 8.18 H new ATOM 0 HE1 MET A 115 1.427 27.945 8.897 1.00 15.17 H new ATOM 0 HE2 MET A 115 2.906 28.096 9.441 1.00 15.17 H new ATOM 0 HE3 MET A 115 2.655 27.734 7.920 1.00 15.17 H new ATOM 896 N ARG A 116 6.465 26.711 6.261 1.00 7.65 N ATOM 897 CA ARG A 116 7.614 27.119 5.456 1.00 9.66 C ATOM 898 C ARG A 116 7.924 28.593 5.683 1.00 13.43 C ATOM 899 O ARG A 116 7.016 29.422 5.784 1.00 13.48 O ATOM 900 CB ARG A 116 7.358 26.863 3.963 1.00 11.63 C ATOM 901 CG ARG A 116 7.224 25.389 3.618 1.00 10.49 C ATOM 902 CD ARG A 116 8.582 24.706 3.605 1.00 11.16 C ATOM 903 NE ARG A 116 8.468 23.271 3.369 1.00 9.93 N ATOM 904 CZ ARG A 116 8.258 22.713 2.180 1.00 12.72 C ATOM 905 NH1 ARG A 116 8.151 23.474 1.091 1.00 15.25 N ATOM 906 NH2 ARG A 116 8.166 21.393 2.079 1.00 14.01 N ATOM 0 H ARG A 116 5.768 27.205 6.161 1.00 7.65 H new ATOM 0 HA ARG A 116 8.377 26.588 5.733 1.00 9.66 H new ATOM 0 HB2 ARG A 116 6.548 27.326 3.697 1.00 11.63 H new ATOM 0 HB3 ARG A 116 8.085 27.244 3.447 1.00 11.63 H new ATOM 0 HG2 ARG A 116 6.646 24.954 4.264 1.00 10.49 H new ATOM 0 HG3 ARG A 116 6.802 25.294 2.750 1.00 10.49 H new ATOM 0 HD2 ARG A 116 9.137 25.104 2.916 1.00 11.16 H new ATOM 0 HD3 ARG A 116 9.029 24.859 4.452 1.00 11.16 H new ATOM 0 HE ARG A 116 8.542 22.748 4.048 1.00 9.93 H new ATOM 0 HH11 ARG A 116 8.218 24.329 1.156 1.00 15.25 H new ATOM 0 HH12 ARG A 116 8.015 23.110 0.324 1.00 15.25 H new ATOM 0 HH21 ARG A 116 8.242 20.902 2.781 1.00 14.01 H new ATOM 0 HH22 ARG A 116 8.030 21.029 1.312 1.00 14.01 H new ATOM 907 N ALA A 117 9.211 28.917 5.731 1.00 10.62 N ATOM 908 CA ALA A 117 9.608 30.298 5.975 1.00 11.38 C ATOM 909 C ALA A 117 9.678 31.079 4.669 1.00 14.04 C ATOM 910 O ALA A 117 10.124 30.546 3.653 1.00 14.52 O ATOM 911 CB ALA A 117 10.970 30.356 6.656 1.00 12.43 C ATOM 0 H ALA A 117 9.860 28.363 5.627 1.00 10.62 H new ATOM 0 HA ALA A 117 8.939 30.696 6.554 1.00 11.38 H new ATOM 0 HB1 ALA A 117 11.216 31.282 6.810 1.00 12.43 H new ATOM 0 HB2 ALA A 117 10.928 29.888 7.505 1.00 12.43 H new ATOM 0 HB3 ALA A 117 11.634 29.935 6.088 1.00 12.43 H new ATOM 912 N PRO A 118 9.275 32.346 4.687 1.00 15.94 N ATOM 913 CA PRO A 118 9.443 33.191 3.512 1.00 18.33 C ATOM 914 C PRO A 118 10.890 33.629 3.378 1.00 17.68 C ATOM 915 O PRO A 118 11.671 33.541 4.340 1.00 17.72 O ATOM 916 CB PRO A 118 8.517 34.380 3.808 1.00 21.21 C ATOM 917 CG PRO A 118 8.557 34.500 5.280 1.00 23.81 C ATOM 918 CD PRO A 118 8.656 33.075 5.807 1.00 22.52 C ATOM 0 HA PRO A 118 9.227 32.748 2.676 1.00 18.33 H new ATOM 0 HB2 PRO A 118 8.829 35.191 3.376 1.00 21.21 H new ATOM 0 HB3 PRO A 118 7.616 34.217 3.488 1.00 21.21 H new ATOM 0 HG2 PRO A 118 9.317 35.031 5.566 1.00 23.81 H new ATOM 0 HG3 PRO A 118 7.761 34.941 5.615 1.00 23.81 H new ATOM 0 HD2 PRO A 118 9.198 33.026 6.610 1.00 22.52 H new ATOM 0 HD3 PRO A 118 7.784 32.714 6.031 1.00 22.52 H new ATOM 919 N PRO A 119 11.292 34.102 2.199 1.00 15.50 N ATOM 920 CA PRO A 119 12.714 34.412 1.973 1.00 16.69 C ATOM 921 C PRO A 119 13.221 35.635 2.718 1.00 19.73 C ATOM 922 O PRO A 119 14.446 35.812 2.797 1.00 15.44 O ATOM 923 CB PRO A 119 12.787 34.627 0.457 1.00 19.13 C ATOM 924 CG PRO A 119 11.384 34.993 0.061 1.00 27.45 C ATOM 925 CD PRO A 119 10.507 34.180 0.954 1.00 23.32 C ATOM 0 HA PRO A 119 13.281 33.699 2.308 1.00 16.69 H new ATOM 0 HB2 PRO A 119 13.413 35.332 0.230 1.00 19.13 H new ATOM 0 HB3 PRO A 119 13.085 33.825 0.000 1.00 19.13 H new ATOM 0 HG2 PRO A 119 11.222 35.942 0.179 1.00 27.45 H new ATOM 0 HG3 PRO A 119 11.218 34.791 -0.873 1.00 27.45 H new ATOM 0 HD2 PRO A 119 9.647 34.604 1.097 1.00 23.32 H new ATOM 0 HD3 PRO A 119 10.332 33.301 0.583 1.00 23.32 H new ATOM 926 N ASN A 120 12.347 36.487 3.263 1.00 19.76 N ATOM 927 CA ASN A 120 12.841 37.717 3.873 1.00 19.48 C ATOM 928 C ASN A 120 13.659 37.447 5.125 1.00 15.24 C ATOM 929 O ASN A 120 14.429 38.315 5.545 1.00 22.68 O ATOM 930 CB ASN A 120 11.688 38.670 4.189 1.00 27.96 C ATOM 931 CG ASN A 120 10.476 37.958 4.733 1.00 33.05 C ATOM 932 OD1 ASN A 120 9.663 37.428 3.973 1.00 42.62 O ATOM 933 ND2 ASN A 120 10.342 37.943 6.052 1.00 39.47 N ATOM 0 H ASN A 120 11.495 36.375 3.289 1.00 19.76 H new ATOM 0 HA ASN A 120 13.428 38.137 3.225 1.00 19.48 H new ATOM 0 HB2 ASN A 120 11.987 39.330 4.834 1.00 27.96 H new ATOM 0 HB3 ASN A 120 11.441 39.151 3.384 1.00 27.96 H new ATOM 0 HD21 ASN A 120 9.666 37.552 6.411 1.00 39.47 H new ATOM 0 HD22 ASN A 120 10.932 38.325 6.548 1.00 39.47 H new ATOM 934 N LEU A 121 13.528 36.258 5.709 1.00 17.87 N ATOM 935 CA LEU A 121 14.352 35.868 6.840 1.00 22.60 C ATOM 936 C LEU A 121 15.750 35.433 6.421 1.00 17.56 C ATOM 937 O LEU A 121 16.617 35.274 7.285 1.00 19.76 O ATOM 938 CB LEU A 121 13.663 34.741 7.616 1.00 31.19 C ATOM 939 CG LEU A 121 12.460 35.153 8.469 1.00 31.35 C ATOM 940 CD1 LEU A 121 11.429 34.032 8.501 1.00 32.12 C ATOM 941 CD2 LEU A 121 12.894 35.554 9.878 1.00 22.87 C ATOM 0 H LEU A 121 12.962 35.661 5.460 1.00 17.87 H new ATOM 0 HA LEU A 121 14.455 36.648 7.407 1.00 22.60 H new ATOM 0 HB2 LEU A 121 13.372 34.067 6.982 1.00 31.19 H new ATOM 0 HB3 LEU A 121 14.319 34.322 8.195 1.00 31.19 H new ATOM 0 HG LEU A 121 12.048 35.932 8.064 1.00 31.35 H new ATOM 0 HD11 LEU A 121 10.672 34.304 9.044 1.00 32.12 H new ATOM 0 HD12 LEU A 121 11.128 33.843 7.598 1.00 32.12 H new ATOM 0 HD13 LEU A 121 11.829 33.235 8.881 1.00 32.12 H new ATOM 0 HD21 LEU A 121 12.115 35.810 10.396 1.00 22.87 H new ATOM 0 HD22 LEU A 121 13.335 34.804 10.307 1.00 22.87 H new ATOM 0 HD23 LEU A 121 13.508 36.303 9.827 1.00 22.87 H new ATOM 942 N GLY A 122 15.988 35.257 5.130 1.00 13.10 N ATOM 943 CA GLY A 122 17.289 34.811 4.659 1.00 12.21 C ATOM 944 C GLY A 122 17.370 33.301 4.551 1.00 10.81 C ATOM 945 O GLY A 122 16.666 32.556 5.236 1.00 12.12 O ATOM 0 H GLY A 122 15.408 35.391 4.509 1.00 13.10 H new ATOM 0 HA2 GLY A 122 17.471 35.206 3.792 1.00 12.21 H new ATOM 0 HA3 GLY A 122 17.977 35.128 5.265 1.00 12.21 H new ATOM 946 N ALA A 123 18.253 32.840 3.663 1.00 8.82 N ATOM 947 CA ALA A 123 18.334 31.412 3.374 1.00 6.93 C ATOM 948 C ALA A 123 18.790 30.593 4.580 1.00 9.69 C ATOM 949 O ALA A 123 18.337 29.460 4.770 1.00 9.19 O ATOM 950 CB ALA A 123 19.267 31.169 2.185 1.00 11.04 C ATOM 0 H ALA A 123 18.806 33.331 3.224 1.00 8.82 H new ATOM 0 HA ALA A 123 17.438 31.114 3.152 1.00 6.93 H new ATOM 0 HB1 ALA A 123 19.315 30.218 2.000 1.00 11.04 H new ATOM 0 HB2 ALA A 123 18.925 31.633 1.405 1.00 11.04 H new ATOM 0 HB3 ALA A 123 20.153 31.502 2.396 1.00 11.04 H new ATOM 951 N LYS A 124 19.716 31.119 5.383 1.00 9.43 N ATOM 952 CA LYS A 124 20.191 30.356 6.536 1.00 7.83 C ATOM 953 C LYS A 124 19.046 30.072 7.506 1.00 8.07 C ATOM 954 O LYS A 124 18.838 28.926 7.923 1.00 9.73 O ATOM 955 CB LYS A 124 21.323 31.118 7.227 1.00 9.44 C ATOM 956 CG LYS A 124 21.942 30.401 8.432 1.00 10.44 C ATOM 957 CD LYS A 124 23.130 31.205 8.933 1.00 12.88 C ATOM 958 CE LYS A 124 23.734 30.629 10.198 1.00 17.87 C ATOM 959 NZ LYS A 124 25.061 31.285 10.424 1.00 19.80 N ATOM 0 H LYS A 124 20.073 31.895 5.282 1.00 9.43 H new ATOM 0 HA LYS A 124 20.534 29.502 6.231 1.00 7.83 H new ATOM 0 HB2 LYS A 124 22.022 31.293 6.577 1.00 9.44 H new ATOM 0 HB3 LYS A 124 20.985 31.979 7.518 1.00 9.44 H new ATOM 0 HG2 LYS A 124 21.283 30.302 9.137 1.00 10.44 H new ATOM 0 HG3 LYS A 124 22.225 29.508 8.181 1.00 10.44 H new ATOM 0 HD2 LYS A 124 23.809 31.238 8.241 1.00 12.88 H new ATOM 0 HD3 LYS A 124 22.850 32.119 9.100 1.00 12.88 H new ATOM 0 HE2 LYS A 124 23.147 30.784 10.954 1.00 17.87 H new ATOM 0 HE3 LYS A 124 23.841 29.669 10.115 1.00 17.87 H new ATOM 0 HZ1 LYS A 124 25.399 31.013 11.201 1.00 19.80 H new ATOM 0 HZ2 LYS A 124 25.618 31.064 9.765 1.00 19.80 H new ATOM 0 HZ3 LYS A 124 24.957 32.169 10.440 1.00 19.80 H new ATOM 960 N TYR A 125 18.278 31.103 7.853 1.00 8.73 N ATOM 961 CA TYR A 125 17.133 30.915 8.736 1.00 8.45 C ATOM 962 C TYR A 125 16.083 30.035 8.073 1.00 8.66 C ATOM 963 O TYR A 125 15.538 29.120 8.700 1.00 9.44 O ATOM 964 CB TYR A 125 16.537 32.275 9.108 1.00 6.97 C ATOM 965 CG TYR A 125 15.391 32.209 10.106 1.00 8.52 C ATOM 966 CD1 TYR A 125 14.112 31.826 9.706 1.00 11.82 C ATOM 967 CD2 TYR A 125 15.588 32.533 11.436 1.00 9.22 C ATOM 968 CE1 TYR A 125 13.068 31.757 10.614 1.00 9.78 C ATOM 969 CE2 TYR A 125 14.537 32.475 12.355 1.00 8.97 C ATOM 970 CZ TYR A 125 13.282 32.082 11.929 1.00 9.52 C ATOM 971 OH TYR A 125 12.229 32.015 12.812 1.00 10.51 O ATOM 0 H TYR A 125 18.402 31.912 7.590 1.00 8.73 H new ATOM 0 HA TYR A 125 17.431 30.470 9.545 1.00 8.45 H new ATOM 0 HB2 TYR A 125 17.240 32.834 9.476 1.00 6.97 H new ATOM 0 HB3 TYR A 125 16.223 32.710 8.300 1.00 6.97 H new ATOM 0 HD1 TYR A 125 13.957 31.613 8.814 1.00 11.82 H new ATOM 0 HD2 TYR A 125 16.433 32.794 11.723 1.00 9.22 H new ATOM 0 HE1 TYR A 125 12.223 31.491 10.332 1.00 9.78 H new ATOM 0 HE2 TYR A 125 14.681 32.699 13.246 1.00 8.97 H new ATOM 0 HH TYR A 125 12.516 32.097 13.597 1.00 10.51 H new ATOM 972 N GLN A 126 15.773 30.312 6.804 1.00 8.76 N ATOM 973 CA GLN A 126 14.685 29.594 6.148 1.00 8.17 C ATOM 974 C GLN A 126 14.978 28.100 6.063 1.00 10.74 C ATOM 975 O GLN A 126 14.106 27.274 6.351 1.00 8.84 O ATOM 976 CB GLN A 126 14.431 30.201 4.765 1.00 8.28 C ATOM 977 CG GLN A 126 13.675 29.291 3.811 1.00 11.54 C ATOM 978 CD GLN A 126 14.599 28.429 2.972 1.00 10.69 C ATOM 979 OE1 GLN A 126 15.642 28.891 2.492 1.00 12.97 O ATOM 980 NE2 GLN A 126 14.236 27.162 2.809 1.00 12.51 N ATOM 0 H GLN A 126 16.172 30.898 6.317 1.00 8.76 H new ATOM 0 HA GLN A 126 13.879 29.689 6.680 1.00 8.17 H new ATOM 0 HB2 GLN A 126 13.932 31.026 4.872 1.00 8.28 H new ATOM 0 HB3 GLN A 126 15.283 30.435 4.365 1.00 8.28 H new ATOM 0 HG2 GLN A 126 13.078 28.720 4.319 1.00 11.54 H new ATOM 0 HG3 GLN A 126 13.121 29.831 3.225 1.00 11.54 H new ATOM 0 HE21 GLN A 126 13.504 26.876 3.158 1.00 12.51 H new ATOM 0 HE22 GLN A 126 14.733 26.627 2.355 1.00 12.51 H new ATOM 981 N ARG A 127 16.199 27.729 5.684 1.00 8.69 N ATOM 982 CA ARG A 127 16.528 26.308 5.612 1.00 9.04 C ATOM 983 C ARG A 127 16.421 25.662 6.984 1.00 9.22 C ATOM 984 O ARG A 127 15.898 24.545 7.118 1.00 9.93 O ATOM 985 CB ARG A 127 17.934 26.113 5.048 1.00 13.85 C ATOM 986 CG ARG A 127 18.043 26.295 3.536 1.00 17.68 C ATOM 987 CD ARG A 127 19.469 26.007 3.077 1.00 21.81 C ATOM 988 NE ARG A 127 20.438 26.913 3.695 1.00 15.38 N ATOM 989 CZ ARG A 127 21.278 27.685 3.019 1.00 17.19 C ATOM 990 NH1 ARG A 127 21.279 27.662 1.693 1.00 19.47 N ATOM 991 NH2 ARG A 127 22.117 28.475 3.667 1.00 16.27 N ATOM 0 H ARG A 127 16.835 28.267 5.470 1.00 8.69 H new ATOM 0 HA ARG A 127 15.891 25.880 5.019 1.00 9.04 H new ATOM 0 HB2 ARG A 127 18.534 26.740 5.481 1.00 13.85 H new ATOM 0 HB3 ARG A 127 18.241 25.222 5.278 1.00 13.85 H new ATOM 0 HG2 ARG A 127 17.424 25.700 3.086 1.00 17.68 H new ATOM 0 HG3 ARG A 127 17.794 27.200 3.293 1.00 17.68 H new ATOM 0 HD2 ARG A 127 19.699 25.090 3.296 1.00 21.81 H new ATOM 0 HD3 ARG A 127 19.520 26.090 2.112 1.00 21.81 H new ATOM 0 HE ARG A 127 20.464 26.947 4.554 1.00 15.38 H new ATOM 0 HH11 ARG A 127 20.735 27.146 1.271 1.00 19.47 H new ATOM 0 HH12 ARG A 127 21.824 28.163 1.255 1.00 19.47 H new ATOM 0 HH21 ARG A 127 22.118 28.488 4.527 1.00 16.27 H new ATOM 0 HH22 ARG A 127 22.662 28.976 3.229 1.00 16.27 H new ATOM 992 N GLU A 128 16.916 26.350 8.016 1.00 8.95 N ATOM 993 CA GLU A 128 16.873 25.790 9.361 1.00 9.22 C ATOM 994 C GLU A 128 15.435 25.597 9.813 1.00 7.60 C ATOM 995 O GLU A 128 15.070 24.528 10.318 1.00 9.01 O ATOM 996 CB GLU A 128 17.633 26.684 10.345 1.00 8.38 C ATOM 997 CG GLU A 128 17.768 26.026 11.721 1.00 9.64 C ATOM 998 CD GLU A 128 18.331 26.937 12.794 1.00 15.20 C ATOM 999 OE1 GLU A 128 18.815 28.045 12.481 1.00 14.89 O ATOM 1000 OE2 GLU A 128 18.286 26.524 13.969 1.00 14.89 O ATOM 0 H GLU A 128 17.275 27.129 7.957 1.00 8.95 H new ATOM 0 HA GLU A 128 17.307 24.923 9.343 1.00 9.22 H new ATOM 0 HB2 GLU A 128 18.515 26.878 9.991 1.00 8.38 H new ATOM 0 HB3 GLU A 128 17.171 27.532 10.436 1.00 8.38 H new ATOM 0 HG2 GLU A 128 16.896 25.710 12.004 1.00 9.64 H new ATOM 0 HG3 GLU A 128 18.339 25.246 11.641 1.00 9.64 H new ATOM 1001 N APHE A 129 14.608 26.629 9.648 0.56 8.63 N ATOM 1002 N BPHE A 129 14.582 26.606 9.615 0.44 8.67 N ATOM 1003 CA APHE A 129 13.217 26.513 10.064 0.56 8.83 C ATOM 1004 CA BPHE A 129 13.214 26.474 10.115 0.44 8.82 C ATOM 1005 C APHE A 129 12.513 25.397 9.311 0.56 8.73 C ATOM 1006 C BPHE A 129 12.409 25.461 9.304 0.44 8.75 C ATOM 1007 O APHE A 129 11.883 24.522 9.918 0.56 7.64 O ATOM 1008 O BPHE A 129 11.618 24.701 9.875 0.44 7.51 O ATOM 1009 CB APHE A 129 12.467 27.825 9.850 0.56 8.18 C ATOM 1010 CB BPHE A 129 12.499 27.829 10.144 0.44 9.58 C ATOM 1011 CG APHE A 129 11.012 27.716 10.189 0.56 8.99 C ATOM 1012 CG BPHE A 129 11.463 27.939 11.249 0.44 10.56 C ATOM 1013 CD1APHE A 129 10.587 27.869 11.499 0.56 11.37 C ATOM 1014 CD1BPHE A 129 10.266 27.240 11.167 0.44 15.81 C ATOM 1015 CD2APHE A 129 10.077 27.411 9.210 0.56 10.56 C ATOM 1016 CD2BPHE A 129 11.701 28.711 12.376 0.44 12.24 C ATOM 1017 CE1APHE A 129 9.251 27.734 11.825 0.56 15.91 C ATOM 1018 CE1BPHE A 129 9.326 27.319 12.184 0.44 13.63 C ATOM 1019 CE2APHE A 129 8.744 27.274 9.528 0.56 11.70 C ATOM 1020 CE2BPHE A 129 10.759 28.793 13.395 0.44 8.65 C ATOM 1021 CZ APHE A 129 8.329 27.434 10.838 0.56 12.02 C ATOM 1022 CZ BPHE A 129 9.575 28.099 13.296 0.44 8.21 C ATOM 0 H APHE A 129 14.828 27.387 9.305 0.56 8.67 H new ATOM 0 H BPHE A 129 14.765 27.343 9.212 0.44 8.67 H new ATOM 0 HA APHE A 129 13.217 26.303 11.011 0.56 8.82 H new ATOM 0 HA BPHE A 129 13.276 26.143 11.025 0.44 8.82 H new ATOM 0 HB2APHE A 129 12.872 28.518 10.395 0.56 9.58 H new ATOM 0 HB2BPHE A 129 13.157 28.533 10.256 0.44 9.58 H new ATOM 0 HB3APHE A 129 12.561 28.100 8.925 0.56 9.58 H new ATOM 0 HB3BPHE A 129 12.067 27.978 9.288 0.44 9.58 H new ATOM 0 HD1APHE A 129 11.206 28.064 12.165 0.56 15.81 H new ATOM 0 HD1BPHE A 129 10.092 26.712 10.421 0.44 15.81 H new ATOM 0 HD2APHE A 129 10.354 27.298 8.329 0.56 12.24 H new ATOM 0 HD2BPHE A 129 12.501 29.180 12.451 0.44 12.24 H new ATOM 0 HE1APHE A 129 8.972 27.844 12.705 0.56 13.63 H new ATOM 0 HE1BPHE A 129 8.528 26.846 12.117 0.44 13.63 H new ATOM 0 HE2APHE A 129 8.124 27.074 8.864 0.56 8.65 H new ATOM 0 HE2BPHE A 129 10.929 29.317 14.144 0.44 8.65 H new ATOM 0 HZ APHE A 129 7.430 27.340 11.055 0.56 8.21 H new ATOM 0 HZ BPHE A 129 8.944 28.155 13.977 0.44 8.21 H new ATOM 1023 N ASP A 130 12.589 25.429 7.977 1.00 8.48 N ATOM 1024 CA ASP A 130 11.842 24.464 7.175 1.00 6.97 C ATOM 1025 C ASP A 130 12.160 23.035 7.586 1.00 8.77 C ATOM 1026 O ASP A 130 11.278 22.167 7.565 1.00 9.81 O ATOM 1027 CB ASP A 130 12.140 24.632 5.681 1.00 6.70 C ATOM 1028 CG ASP A 130 11.539 25.887 5.089 1.00 9.40 C ATOM 1029 OD1 ASP A 130 10.890 26.665 5.819 1.00 9.37 O ATOM 1030 OD2 ASP A 130 11.737 26.097 3.867 1.00 10.19 O ATOM 0 H AASP A 130 13.059 25.991 7.527 0.56 8.48 H new ATOM 0 H BASP A 130 13.122 25.941 7.538 0.44 8.48 H new ATOM 0 HA ASP A 130 10.901 24.638 7.335 1.00 6.97 H new ATOM 0 HB2 ASP A 130 13.101 24.648 5.549 1.00 6.70 H new ATOM 0 HB3 ASP A 130 11.800 23.861 5.201 1.00 6.70 H new ATOM 1031 N GLY A 131 13.407 22.775 7.979 1.00 8.03 N ATOM 1032 CA GLY A 131 13.833 21.426 8.282 1.00 8.62 C ATOM 1033 C GLY A 131 13.314 20.862 9.586 1.00 9.66 C ATOM 1034 O GLY A 131 13.437 19.653 9.796 1.00 10.51 O ATOM 0 H GLY A 131 14.018 23.373 8.074 1.00 8.03 H new ATOM 0 HA2 GLY A 131 13.551 20.843 7.560 1.00 8.62 H new ATOM 0 HA3 GLY A 131 14.803 21.405 8.301 1.00 8.62 H new ATOM 1035 N ILE A 132 12.750 21.687 10.474 1.00 8.61 N ATOM 1036 CA ILE A 132 12.334 21.112 11.753 1.00 6.79 C ATOM 1037 C ILE A 132 11.149 20.164 11.571 1.00 8.32 C ATOM 1038 O ILE A 132 10.999 19.211 12.345 1.00 8.94 O ATOM 1039 CB ILE A 132 12.034 22.208 12.805 1.00 9.31 C ATOM 1040 CG1 ILE A 132 10.713 22.941 12.544 1.00 9.92 C ATOM 1041 CG2 ILE A 132 13.202 23.205 12.914 1.00 10.26 C ATOM 1042 CD1 ILE A 132 10.364 23.988 13.621 1.00 12.19 C ATOM 0 H ILE A 132 12.607 22.528 10.367 1.00 8.61 H new ATOM 0 HA ILE A 132 13.077 20.590 12.094 1.00 6.79 H new ATOM 0 HB ILE A 132 11.935 21.752 13.655 1.00 9.31 H new ATOM 0 HG12 ILE A 132 10.761 23.380 11.680 1.00 9.92 H new ATOM 0 HG13 ILE A 132 9.996 22.290 12.492 1.00 9.92 H new ATOM 0 HG21 ILE A 132 12.991 23.880 13.578 1.00 10.26 H new ATOM 0 HG22 ILE A 132 14.007 22.733 13.179 1.00 10.26 H new ATOM 0 HG23 ILE A 132 13.345 23.631 12.054 1.00 10.26 H new ATOM 0 HD11 ILE A 132 9.521 24.413 13.398 1.00 12.19 H new ATOM 0 HD12 ILE A 132 10.287 23.552 14.484 1.00 12.19 H new ATOM 0 HD13 ILE A 132 11.064 24.658 13.660 1.00 12.19 H new ATOM 1043 N TYR A 133 10.305 20.380 10.542 1.00 7.50 N ATOM 1044 CA TYR A 133 9.081 19.584 10.428 1.00 7.63 C ATOM 1045 C TYR A 133 9.364 18.163 9.969 1.00 8.71 C ATOM 1046 O TYR A 133 8.884 17.224 10.629 1.00 9.44 O ATOM 1047 CB TYR A 133 8.059 20.315 9.540 1.00 7.18 C ATOM 1048 CG TYR A 133 7.606 21.598 10.218 1.00 7.54 C ATOM 1049 CD1 TYR A 133 6.598 21.578 11.187 1.00 7.55 C ATOM 1050 CD2 TYR A 133 8.219 22.812 9.933 1.00 8.03 C ATOM 1051 CE1 TYR A 133 6.216 22.741 11.847 1.00 8.19 C ATOM 1052 CE2 TYR A 133 7.848 23.981 10.597 1.00 8.76 C ATOM 1053 CZ TYR A 133 6.844 23.935 11.551 1.00 8.56 C ATOM 1054 OH TYR A 133 6.472 25.095 12.198 1.00 8.35 O ATOM 0 H TYR A 133 10.423 20.964 9.922 1.00 7.50 H new ATOM 0 HA TYR A 133 8.687 19.492 11.310 1.00 7.63 H new ATOM 0 HB2 TYR A 133 8.455 20.518 8.678 1.00 7.18 H new ATOM 0 HB3 TYR A 133 7.295 19.741 9.373 1.00 7.18 H new ATOM 0 HD1 TYR A 133 6.177 20.775 11.393 1.00 7.55 H new ATOM 0 HD2 TYR A 133 8.888 22.846 9.288 1.00 8.03 H new ATOM 0 HE1 TYR A 133 5.540 22.715 12.485 1.00 8.19 H new ATOM 0 HE2 TYR A 133 8.271 24.786 10.401 1.00 8.76 H new ATOM 0 HH TYR A 133 5.741 24.973 12.593 1.00 8.35 H new ATOM 1055 N PRO A 134 10.135 17.911 8.906 1.00 9.01 N ATOM 1056 CA PRO A 134 10.468 16.510 8.600 1.00 8.88 C ATOM 1057 C PRO A 134 11.271 15.845 9.706 1.00 11.54 C ATOM 1058 O PRO A 134 11.097 14.641 9.940 1.00 11.44 O ATOM 1059 CB PRO A 134 11.252 16.589 7.280 1.00 11.28 C ATOM 1060 CG PRO A 134 11.544 18.035 7.045 1.00 16.50 C ATOM 1061 CD PRO A 134 10.588 18.844 7.859 1.00 8.72 C ATOM 0 HA PRO A 134 9.674 15.957 8.525 1.00 8.88 H new ATOM 0 HB2 PRO A 134 12.073 16.076 7.335 1.00 11.28 H new ATOM 0 HB3 PRO A 134 10.734 16.218 6.548 1.00 11.28 H new ATOM 0 HG2 PRO A 134 12.459 18.240 7.295 1.00 16.50 H new ATOM 0 HG3 PRO A 134 11.452 18.250 6.104 1.00 16.50 H new ATOM 0 HD2 PRO A 134 11.019 19.625 8.241 1.00 8.72 H new ATOM 0 HD3 PRO A 134 9.846 19.163 7.322 1.00 8.72 H new ATOM 1062 N TYR A 135 12.119 16.592 10.416 1.00 10.40 N ATOM 1063 CA TYR A 135 12.838 16.007 11.548 1.00 10.17 C ATOM 1064 C TYR A 135 11.862 15.526 12.614 1.00 11.05 C ATOM 1065 O TYR A 135 11.969 14.398 13.115 1.00 12.30 O ATOM 1066 CB TYR A 135 13.822 17.023 12.140 1.00 10.98 C ATOM 1067 CG TYR A 135 14.441 16.553 13.435 1.00 14.75 C ATOM 1068 CD1 TYR A 135 15.552 15.715 13.429 1.00 16.21 C ATOM 1069 CD2 TYR A 135 13.897 16.918 14.658 1.00 13.00 C ATOM 1070 CE1 TYR A 135 16.115 15.273 14.609 1.00 18.24 C ATOM 1071 CE2 TYR A 135 14.461 16.480 15.850 1.00 17.16 C ATOM 1072 CZ TYR A 135 15.564 15.656 15.811 1.00 18.20 C ATOM 1073 OH TYR A 135 16.119 15.219 16.991 1.00 25.27 O ATOM 0 H TYR A 135 12.289 17.421 10.263 1.00 10.40 H new ATOM 0 HA TYR A 135 13.341 15.242 11.228 1.00 10.17 H new ATOM 0 HB2 TYR A 135 14.525 17.199 11.496 1.00 10.98 H new ATOM 0 HB3 TYR A 135 13.361 17.862 12.293 1.00 10.98 H new ATOM 0 HD1 TYR A 135 15.921 15.449 12.618 1.00 16.21 H new ATOM 0 HD2 TYR A 135 13.144 17.464 14.680 1.00 13.00 H new ATOM 0 HE1 TYR A 135 16.862 14.720 14.592 1.00 18.24 H new ATOM 0 HE2 TYR A 135 14.098 16.740 16.665 1.00 17.16 H new ATOM 0 HH TYR A 135 15.683 15.530 17.638 1.00 25.27 H new ATOM 1074 N LEU A 136 10.900 16.380 12.977 1.00 9.19 N ATOM 1075 CA LEU A 136 9.951 16.034 14.029 1.00 9.53 C ATOM 1076 C LEU A 136 9.060 14.877 13.612 1.00 11.08 C ATOM 1077 O LEU A 136 8.708 14.028 14.439 1.00 12.03 O ATOM 1078 CB LEU A 136 9.089 17.249 14.371 1.00 9.16 C ATOM 1079 CG LEU A 136 9.789 18.385 15.102 1.00 9.49 C ATOM 1080 CD1 LEU A 136 8.958 19.660 14.971 1.00 12.62 C ATOM 1081 CD2 LEU A 136 9.975 18.007 16.565 1.00 15.05 C ATOM 0 H LEU A 136 10.784 17.157 12.628 1.00 9.19 H new ATOM 0 HA LEU A 136 10.457 15.761 14.810 1.00 9.53 H new ATOM 0 HB2 LEU A 136 8.717 17.600 13.547 1.00 9.16 H new ATOM 0 HB3 LEU A 136 8.343 16.950 14.915 1.00 9.16 H new ATOM 0 HG LEU A 136 10.662 18.544 14.711 1.00 9.49 H new ATOM 0 HD11 LEU A 136 9.403 20.386 15.437 1.00 12.62 H new ATOM 0 HD12 LEU A 136 8.862 19.889 14.033 1.00 12.62 H new ATOM 0 HD13 LEU A 136 8.081 19.516 15.360 1.00 12.62 H new ATOM 0 HD21 LEU A 136 10.421 18.731 17.032 1.00 15.05 H new ATOM 0 HD22 LEU A 136 9.109 17.847 16.971 1.00 15.05 H new ATOM 0 HD23 LEU A 136 10.514 17.203 16.626 1.00 15.05 H new ATOM 1082 N ALA A 137 8.637 14.856 12.345 1.00 9.35 N ATOM 1083 CA ALA A 137 7.741 13.797 11.899 1.00 11.58 C ATOM 1084 C ALA A 137 8.439 12.452 11.960 1.00 12.14 C ATOM 1085 O ALA A 137 7.835 11.446 12.354 1.00 14.13 O ATOM 1086 CB ALA A 137 7.237 14.087 10.483 1.00 14.10 C ATOM 0 H ALA A 137 8.853 15.432 11.744 1.00 9.35 H new ATOM 0 HA ALA A 137 6.975 13.767 12.493 1.00 11.58 H new ATOM 0 HB1 ALA A 137 6.642 13.375 10.199 1.00 14.10 H new ATOM 0 HB2 ALA A 137 6.758 14.930 10.476 1.00 14.10 H new ATOM 0 HB3 ALA A 137 7.991 14.140 9.875 1.00 14.10 H new ATOM 1087 N AGLU A 138 9.725 12.422 11.603 0.41 12.25 N ATOM 1088 N BGLU A 138 9.713 12.411 11.576 0.59 12.21 N ATOM 1089 CA AGLU A 138 10.492 11.182 11.662 0.41 15.38 C ATOM 1090 CA BGLU A 138 10.463 11.166 11.679 0.59 15.33 C ATOM 1091 C AGLU A 138 10.751 10.760 13.104 0.41 17.43 C ATOM 1092 C BGLU A 138 10.646 10.767 13.137 0.59 17.49 C ATOM 1093 O AGLU A 138 10.681 9.569 13.431 0.41 19.13 O ATOM 1094 O BGLU A 138 10.421 9.609 13.509 0.59 17.58 O ATOM 1095 CB AGLU A 138 11.810 11.359 10.908 0.41 16.43 C ATOM 1096 CB BGLU A 138 11.817 11.312 10.987 0.59 16.33 C ATOM 1097 CG AGLU A 138 12.739 10.152 10.938 0.41 20.53 C ATOM 1098 CG BGLU A 138 12.437 9.991 10.547 0.59 23.13 C ATOM 1099 CD AGLU A 138 13.731 10.161 9.788 0.41 25.90 C ATOM 1100 CD BGLU A 138 13.073 9.234 11.693 0.59 29.43 C ATOM 1101 OE1AGLU A 138 14.304 9.094 9.481 0.41 33.69 O ATOM 1102 OE1BGLU A 138 13.412 9.868 12.717 0.59 30.95 O ATOM 1103 OE2AGLU A 138 13.935 11.237 9.187 0.41 29.44 O ATOM 1104 OE2BGLU A 138 13.237 8.001 11.576 0.59 32.92 O ATOM 0 H AGLU A 138 10.167 13.106 11.326 0.41 12.21 H new ATOM 0 H BGLU A 138 10.153 13.079 11.260 0.59 12.21 H new ATOM 0 HA AGLU A 138 9.974 10.478 11.241 0.41 15.33 H new ATOM 0 HA BGLU A 138 9.961 10.464 11.236 0.59 15.33 H new ATOM 0 HB2AGLU A 138 11.611 11.574 9.983 0.41 16.33 H new ATOM 0 HB2BGLU A 138 11.712 11.884 10.210 0.59 16.33 H new ATOM 0 HB3AGLU A 138 12.280 12.121 11.281 0.41 16.33 H new ATOM 0 HB3BGLU A 138 12.430 11.761 11.589 0.59 16.33 H new ATOM 0 HG2AGLU A 138 13.222 10.139 11.779 0.41 23.13 H new ATOM 0 HG2BGLU A 138 11.753 9.437 10.138 0.59 23.13 H new ATOM 0 HG3AGLU A 138 12.211 9.339 10.901 0.41 23.13 H new ATOM 0 HG3BGLU A 138 13.107 10.163 9.867 0.59 23.13 H new ATOM 1105 N LYS A 139 11.039 11.723 13.983 1.00 14.10 N ATOM 1106 CA LYS A 139 11.376 11.388 15.363 1.00 12.77 C ATOM 1107 C LYS A 139 10.171 10.852 16.124 1.00 18.34 C ATOM 1108 O LYS A 139 10.300 9.916 16.925 1.00 18.05 O ATOM 1109 CB LYS A 139 11.960 12.613 16.071 1.00 14.41 C ATOM 1110 CG LYS A 139 12.312 12.368 17.534 1.00 15.16 C ATOM 1111 CD LYS A 139 13.103 13.523 18.122 1.00 20.67 C ATOM 1112 CE LYS A 139 13.399 13.281 19.594 1.00 22.86 C ATOM 1113 NZ LYS A 139 14.294 14.334 20.138 1.00 32.99 N ATOM 0 H ALYS A 139 11.044 12.564 13.802 0.41 14.10 H new ATOM 0 H BLYS A 139 11.115 12.555 13.780 0.59 14.10 H new ATOM 0 HA LYS A 139 12.042 10.683 15.346 1.00 12.77 H new ATOM 0 HB2 LYS A 139 12.757 12.900 15.599 1.00 14.41 H new ATOM 0 HB3 LYS A 139 11.322 13.342 16.018 1.00 14.41 H new ATOM 0 HG2 LYS A 139 11.498 12.239 18.046 1.00 15.16 H new ATOM 0 HG3 LYS A 139 12.828 11.550 17.610 1.00 15.16 H new ATOM 0 HD2 LYS A 139 13.934 13.633 17.634 1.00 20.67 H new ATOM 0 HD3 LYS A 139 12.603 14.348 18.020 1.00 20.67 H new ATOM 0 HE2 LYS A 139 12.569 13.266 20.096 1.00 22.86 H new ATOM 0 HE3 LYS A 139 13.813 12.411 19.705 1.00 22.86 H new ATOM 0 HZ1 LYS A 139 14.372 14.232 21.019 1.00 32.99 H new ATOM 0 HZ2 LYS A 139 15.097 14.266 19.760 1.00 32.99 H new ATOM 0 HZ3 LYS A 139 13.950 15.136 19.962 1.00 32.99 H new ATOM 1114 N TYR A 140 8.993 11.422 15.891 1.00 12.81 N ATOM 1115 CA TYR A 140 7.808 11.080 16.659 1.00 12.38 C ATOM 1116 C TYR A 140 6.837 10.202 15.885 1.00 14.40 C ATOM 1117 O TYR A 140 5.696 10.031 16.320 1.00 17.06 O ATOM 1118 CB TYR A 140 7.124 12.360 17.157 1.00 14.59 C ATOM 1119 CG TYR A 140 7.994 13.041 18.185 1.00 14.45 C ATOM 1120 CD1 TYR A 140 8.079 12.544 19.475 1.00 15.90 C ATOM 1121 CD2 TYR A 140 8.795 14.125 17.848 1.00 14.60 C ATOM 1122 CE1 TYR A 140 8.901 13.126 20.406 1.00 15.39 C ATOM 1123 CE2 TYR A 140 9.623 14.720 18.780 1.00 16.48 C ATOM 1124 CZ TYR A 140 9.668 14.214 20.068 1.00 18.94 C ATOM 1125 OH TYR A 140 10.486 14.786 21.021 1.00 21.11 O ATOM 0 H TYR A 140 8.861 12.017 15.284 1.00 12.81 H new ATOM 0 HA TYR A 140 8.095 10.554 17.421 1.00 12.38 H new ATOM 0 HB2 TYR A 140 6.960 12.959 16.412 1.00 14.59 H new ATOM 0 HB3 TYR A 140 6.261 12.145 17.544 1.00 14.59 H new ATOM 0 HD1 TYR A 140 7.570 11.803 19.714 1.00 15.90 H new ATOM 0 HD2 TYR A 140 8.773 14.456 16.979 1.00 14.60 H new ATOM 0 HE1 TYR A 140 8.939 12.783 21.269 1.00 15.39 H new ATOM 0 HE2 TYR A 140 10.145 15.453 18.545 1.00 16.48 H new ATOM 0 HH TYR A 140 10.439 14.343 21.733 1.00 21.11 H new ATOM 1126 N ASP A 141 7.269 9.634 14.758 1.00 14.66 N ATOM 1127 CA ASP A 141 6.439 8.712 13.982 1.00 19.32 C ATOM 1128 C ASP A 141 5.097 9.354 13.648 1.00 19.33 C ATOM 1129 O ASP A 141 4.028 8.754 13.799 1.00 21.71 O ATOM 1130 CB ASP A 141 6.251 7.387 14.725 1.00 24.79 C ATOM 1131 CG ASP A 141 5.605 6.323 13.858 1.00 50.10 C ATOM 1132 OD1 ASP A 141 6.007 6.193 12.680 1.00 46.69 O ATOM 1133 OD2 ASP A 141 4.693 5.621 14.347 1.00 46.18 O ATOM 0 H ASP A 141 8.049 9.772 14.423 1.00 14.66 H new ATOM 0 HA ASP A 141 6.895 8.518 13.148 1.00 19.32 H new ATOM 0 HB2 ASP A 141 7.113 7.068 15.035 1.00 24.79 H new ATOM 0 HB3 ASP A 141 5.704 7.535 15.512 1.00 24.79 H new ATOM 1134 N ALA A 142 5.158 10.608 13.224 1.00 13.21 N ATOM 1135 CA ALA A 142 3.984 11.368 12.846 1.00 14.14 C ATOM 1136 C ALA A 142 3.905 11.445 11.336 1.00 10.72 C ATOM 1137 O ALA A 142 4.925 11.483 10.644 1.00 15.34 O ATOM 1138 CB ALA A 142 4.030 12.781 13.429 1.00 13.52 C ATOM 0 H ALA A 142 5.894 11.045 13.148 1.00 13.21 H new ATOM 0 HA ALA A 142 3.200 10.920 13.199 1.00 14.14 H new ATOM 0 HB1 ALA A 142 3.235 13.268 13.162 1.00 13.52 H new ATOM 0 HB2 ALA A 142 4.068 12.731 14.397 1.00 13.52 H new ATOM 0 HB3 ALA A 142 4.817 13.242 13.099 1.00 13.52 H new ATOM 1139 N LYS A 143 2.681 11.457 10.829 1.00 10.52 N ATOM 1140 CA LYS A 143 2.484 11.749 9.422 1.00 9.26 C ATOM 1141 C LYS A 143 2.674 13.243 9.206 1.00 10.39 C ATOM 1142 O LYS A 143 2.476 14.049 10.120 1.00 11.40 O ATOM 1143 CB LYS A 143 1.100 11.279 8.975 1.00 13.82 C ATOM 1144 CG LYS A 143 1.004 9.742 8.888 1.00 20.22 C ATOM 1145 CD LYS A 143 -0.371 9.262 8.464 1.00 37.71 C ATOM 1146 CE LYS A 143 -0.387 7.748 8.270 1.00 38.84 C ATOM 1147 NZ LYS A 143 -0.496 7.018 9.567 1.00 36.04 N ATOM 0 H LYS A 143 1.963 11.301 11.275 1.00 10.52 H new ATOM 0 HA LYS A 143 3.134 11.272 8.882 1.00 9.26 H new ATOM 0 HB2 LYS A 143 0.432 11.608 9.597 1.00 13.82 H new ATOM 0 HB3 LYS A 143 0.894 11.663 8.109 1.00 13.82 H new ATOM 0 HG2 LYS A 143 1.665 9.416 8.257 1.00 20.22 H new ATOM 0 HG3 LYS A 143 1.224 9.359 9.752 1.00 20.22 H new ATOM 0 HD2 LYS A 143 -1.026 9.512 9.135 1.00 37.71 H new ATOM 0 HD3 LYS A 143 -0.630 9.700 7.638 1.00 37.71 H new ATOM 0 HE2 LYS A 143 -1.132 7.504 7.699 1.00 38.84 H new ATOM 0 HE3 LYS A 143 0.423 7.473 7.812 1.00 38.84 H new ATOM 0 HZ1 LYS A 143 -0.502 6.141 9.415 1.00 36.04 H new ATOM 0 HZ2 LYS A 143 0.199 7.224 10.083 1.00 36.04 H new ATOM 0 HZ3 LYS A 143 -1.250 7.253 9.978 1.00 36.04 H new ATOM 1148 N LEU A 144 3.104 13.605 8.006 1.00 10.42 N ATOM 1149 CA LEU A 144 3.490 14.976 7.704 1.00 10.26 C ATOM 1150 C LEU A 144 2.829 15.421 6.414 1.00 9.98 C ATOM 1151 O LEU A 144 2.938 14.742 5.387 1.00 13.77 O ATOM 1152 CB LEU A 144 5.010 15.110 7.579 1.00 10.73 C ATOM 1153 CG LEU A 144 5.551 16.450 7.079 1.00 9.59 C ATOM 1154 CD1 LEU A 144 5.374 17.553 8.115 1.00 10.87 C ATOM 1155 CD2 LEU A 144 7.005 16.310 6.683 1.00 14.66 C ATOM 0 H LEU A 144 3.181 13.063 7.343 1.00 10.42 H new ATOM 0 HA LEU A 144 3.196 15.541 8.435 1.00 10.26 H new ATOM 0 HB2 LEU A 144 5.401 14.933 8.449 1.00 10.73 H new ATOM 0 HB3 LEU A 144 5.325 14.415 6.980 1.00 10.73 H new ATOM 0 HG LEU A 144 5.037 16.707 6.298 1.00 9.59 H new ATOM 0 HD11 LEU A 144 5.727 18.386 7.765 1.00 10.87 H new ATOM 0 HD12 LEU A 144 4.431 17.661 8.315 1.00 10.87 H new ATOM 0 HD13 LEU A 144 5.851 17.315 8.926 1.00 10.87 H new ATOM 0 HD21 LEU A 144 7.338 17.165 6.368 1.00 14.66 H new ATOM 0 HD22 LEU A 144 7.524 16.025 7.451 1.00 14.66 H new ATOM 0 HD23 LEU A 144 7.086 15.651 5.976 1.00 14.66 H new ATOM 1156 N VAL A 145 2.150 16.560 6.466 1.00 8.19 N ATOM 1157 CA VAL A 145 1.852 17.348 5.272 1.00 7.66 C ATOM 1158 C VAL A 145 3.028 18.292 5.066 1.00 10.32 C ATOM 1159 O VAL A 145 3.221 19.204 5.888 1.00 8.83 O ATOM 1160 CB VAL A 145 0.534 18.116 5.418 1.00 10.38 C ATOM 1161 CG1 VAL A 145 0.380 19.118 4.275 1.00 10.20 C ATOM 1162 CG2 VAL A 145 -0.644 17.142 5.457 1.00 12.15 C ATOM 0 H VAL A 145 1.847 16.900 7.195 1.00 8.19 H new ATOM 0 HA VAL A 145 1.736 16.771 4.501 1.00 7.66 H new ATOM 0 HB VAL A 145 0.545 18.609 6.253 1.00 10.38 H new ATOM 0 HG11 VAL A 145 -0.456 19.599 4.376 1.00 10.20 H new ATOM 0 HG12 VAL A 145 1.118 19.747 4.294 1.00 10.20 H new ATOM 0 HG13 VAL A 145 0.380 18.645 3.428 1.00 10.20 H new ATOM 0 HG21 VAL A 145 -1.472 17.639 5.550 1.00 12.15 H new ATOM 0 HG22 VAL A 145 -0.666 16.628 4.635 1.00 12.15 H new ATOM 0 HG23 VAL A 145 -0.542 16.541 6.211 1.00 12.15 H new ATOM 1163 N PRO A 146 3.864 18.092 4.045 1.00 8.96 N ATOM 1164 CA PRO A 146 5.126 18.850 3.989 1.00 10.04 C ATOM 1165 C PRO A 146 4.951 20.359 3.940 1.00 9.56 C ATOM 1166 O PRO A 146 5.712 21.084 4.599 1.00 9.18 O ATOM 1167 CB PRO A 146 5.798 18.304 2.720 1.00 13.48 C ATOM 1168 CG PRO A 146 5.274 16.918 2.601 1.00 13.05 C ATOM 1169 CD PRO A 146 3.830 17.004 3.052 1.00 11.19 C ATOM 0 HA PRO A 146 5.651 18.729 4.795 1.00 10.04 H new ATOM 0 HB2 PRO A 146 5.572 18.837 1.942 1.00 13.48 H new ATOM 0 HB3 PRO A 146 6.765 18.312 2.799 1.00 13.48 H new ATOM 0 HG2 PRO A 146 5.338 16.595 1.688 1.00 13.05 H new ATOM 0 HG3 PRO A 146 5.779 16.303 3.155 1.00 13.05 H new ATOM 0 HD2 PRO A 146 3.234 17.208 2.314 1.00 11.19 H new ATOM 0 HD3 PRO A 146 3.524 16.170 3.442 1.00 11.19 H new ATOM 1170 N PHE A 147 3.952 20.860 3.207 1.00 8.55 N ATOM 1171 CA PHE A 147 3.761 22.303 3.018 1.00 7.06 C ATOM 1172 C PHE A 147 2.258 22.560 3.125 1.00 9.76 C ATOM 1173 O PHE A 147 1.537 22.480 2.125 1.00 8.99 O ATOM 1174 CB PHE A 147 4.353 22.734 1.677 1.00 10.60 C ATOM 1175 CG PHE A 147 4.314 24.225 1.405 1.00 12.27 C ATOM 1176 CD1 PHE A 147 3.937 25.136 2.373 1.00 11.02 C ATOM 1177 CD2 PHE A 147 4.667 24.701 0.144 1.00 15.75 C ATOM 1178 CE1 PHE A 147 3.909 26.514 2.088 1.00 11.17 C ATOM 1179 CE2 PHE A 147 4.637 26.063 -0.134 1.00 12.99 C ATOM 1180 CZ PHE A 147 4.256 26.954 0.829 1.00 12.71 C ATOM 0 H PHE A 147 3.367 20.374 2.806 1.00 8.55 H new ATOM 0 HA PHE A 147 4.222 22.830 3.690 1.00 7.06 H new ATOM 0 HB2 PHE A 147 5.275 22.436 1.636 1.00 10.60 H new ATOM 0 HB3 PHE A 147 3.875 22.277 0.967 1.00 10.60 H new ATOM 0 HD1 PHE A 147 3.700 24.836 3.221 1.00 11.02 H new ATOM 0 HD2 PHE A 147 4.925 24.102 -0.518 1.00 15.75 H new ATOM 0 HE1 PHE A 147 3.658 27.123 2.744 1.00 11.17 H new ATOM 0 HE2 PHE A 147 4.877 26.369 -0.979 1.00 12.99 H new ATOM 0 HZ PHE A 147 4.231 27.863 0.634 1.00 12.71 H new ATOM 1181 N PHE A 148 1.800 22.856 4.344 1.00 6.91 N ATOM 1182 CA PHE A 148 0.366 23.005 4.582 1.00 8.86 C ATOM 1183 C PHE A 148 -0.253 24.074 3.685 1.00 9.32 C ATOM 1184 O PHE A 148 -1.342 23.873 3.143 1.00 9.78 O ATOM 1185 CB PHE A 148 0.124 23.321 6.062 1.00 10.91 C ATOM 1186 CG PHE A 148 -1.313 23.581 6.404 1.00 8.30 C ATOM 1187 CD1 PHE A 148 -2.293 22.670 6.054 1.00 12.45 C ATOM 1188 CD2 PHE A 148 -1.680 24.729 7.079 1.00 13.76 C ATOM 1189 CE1 PHE A 148 -3.623 22.905 6.380 1.00 14.91 C ATOM 1190 CE2 PHE A 148 -3.010 24.969 7.400 1.00 13.98 C ATOM 1191 CZ PHE A 148 -3.976 24.047 7.043 1.00 13.13 C ATOM 0 H PHE A 148 2.297 22.973 5.036 1.00 6.91 H new ATOM 0 HA PHE A 148 -0.069 22.168 4.358 1.00 8.86 H new ATOM 0 HB2 PHE A 148 0.445 22.579 6.598 1.00 10.91 H new ATOM 0 HB3 PHE A 148 0.651 24.098 6.308 1.00 10.91 H new ATOM 0 HD1 PHE A 148 -2.060 21.894 5.597 1.00 12.45 H new ATOM 0 HD2 PHE A 148 -1.030 25.348 7.321 1.00 13.76 H new ATOM 0 HE1 PHE A 148 -4.275 22.284 6.147 1.00 14.91 H new ATOM 0 HE2 PHE A 148 -3.249 25.746 7.852 1.00 13.98 H new ATOM 0 HZ PHE A 148 -4.868 24.204 7.254 1.00 13.13 H new ATOM 1192 N LEU A 149 0.417 25.215 3.515 1.00 7.60 N ATOM 1193 CA LEU A 149 -0.138 26.302 2.716 1.00 7.89 C ATOM 1194 C LEU A 149 0.202 26.209 1.231 1.00 9.29 C ATOM 1195 O LEU A 149 -0.014 27.188 0.507 1.00 10.76 O ATOM 1196 CB LEU A 149 0.332 27.659 3.261 1.00 8.91 C ATOM 1197 CG LEU A 149 -0.212 28.036 4.640 1.00 10.18 C ATOM 1198 CD1 LEU A 149 0.330 29.382 5.057 1.00 12.11 C ATOM 1199 CD2 LEU A 149 -1.730 28.086 4.614 1.00 12.93 C ATOM 0 H LEU A 149 1.191 25.377 3.853 1.00 7.60 H new ATOM 0 HA LEU A 149 -1.102 26.220 2.791 1.00 7.89 H new ATOM 0 HB2 LEU A 149 1.301 27.656 3.302 1.00 8.91 H new ATOM 0 HB3 LEU A 149 0.077 28.350 2.630 1.00 8.91 H new ATOM 0 HG LEU A 149 0.071 27.362 5.278 1.00 10.18 H new ATOM 0 HD11 LEU A 149 -0.019 29.615 5.932 1.00 12.11 H new ATOM 0 HD12 LEU A 149 1.298 29.343 5.095 1.00 12.11 H new ATOM 0 HD13 LEU A 149 0.059 30.054 4.412 1.00 12.11 H new ATOM 0 HD21 LEU A 149 -2.061 28.326 5.494 1.00 12.93 H new ATOM 0 HD22 LEU A 149 -2.021 28.748 3.968 1.00 12.93 H new ATOM 0 HD23 LEU A 149 -2.078 27.216 4.364 1.00 12.93 H new ATOM 1200 N GLU A 150 0.694 25.062 0.752 1.00 8.57 N ATOM 1201 CA GLU A 150 1.108 24.956 -0.648 1.00 8.72 C ATOM 1202 C GLU A 150 -0.002 25.384 -1.606 1.00 9.80 C ATOM 1203 O GLU A 150 0.265 26.052 -2.611 1.00 12.57 O ATOM 1204 CB GLU A 150 1.560 23.523 -0.948 1.00 9.41 C ATOM 1205 CG GLU A 150 2.107 23.336 -2.373 1.00 15.75 C ATOM 1206 CD GLU A 150 2.671 21.942 -2.596 1.00 28.92 C ATOM 1207 OE1 GLU A 150 2.020 20.961 -2.177 1.00 36.95 O ATOM 1208 OE2 GLU A 150 3.760 21.830 -3.194 1.00 39.70 O ATOM 0 H GLU A 150 0.795 24.344 1.215 1.00 8.57 H new ATOM 0 HA GLU A 150 1.852 25.563 -0.787 1.00 8.72 H new ATOM 0 HB2 GLU A 150 2.245 23.268 -0.311 1.00 9.41 H new ATOM 0 HB3 GLU A 150 0.811 22.921 -0.816 1.00 9.41 H new ATOM 0 HG2 GLU A 150 1.398 23.502 -3.014 1.00 15.75 H new ATOM 0 HG3 GLU A 150 2.800 23.994 -2.540 1.00 15.75 H new ATOM 1209 N ALA A 151 -1.256 25.044 -1.297 1.00 10.05 N ATOM 1210 CA ALA A 151 -2.320 25.274 -2.272 1.00 9.62 C ATOM 1211 C ALA A 151 -2.706 26.742 -2.412 1.00 12.00 C ATOM 1212 O ALA A 151 -3.407 27.087 -3.369 1.00 15.49 O ATOM 1213 CB ALA A 151 -3.553 24.444 -1.913 1.00 13.21 C ATOM 0 H ALA A 151 -1.505 24.691 -0.553 1.00 10.05 H new ATOM 0 HA ALA A 151 -1.968 24.995 -3.132 1.00 9.62 H new ATOM 0 HB1 ALA A 151 -4.252 24.604 -2.566 1.00 13.21 H new ATOM 0 HB2 ALA A 151 -3.321 23.502 -1.913 1.00 13.21 H new ATOM 0 HB3 ALA A 151 -3.869 24.698 -1.032 1.00 13.21 H new ATOM 1214 N VAL A 152 -2.268 27.621 -1.517 1.00 11.14 N ATOM 1215 CA VAL A 152 -2.487 29.048 -1.722 1.00 10.76 C ATOM 1216 C VAL A 152 -1.184 29.775 -2.023 1.00 11.93 C ATOM 1217 O VAL A 152 -1.189 31.003 -2.178 1.00 14.26 O ATOM 1218 CB VAL A 152 -3.226 29.698 -0.540 1.00 12.52 C ATOM 1219 CG1 VAL A 152 -4.613 29.095 -0.373 1.00 16.08 C ATOM 1220 CG2 VAL A 152 -2.417 29.588 0.762 1.00 11.20 C ATOM 0 H VAL A 152 -1.848 27.416 -0.795 1.00 11.14 H new ATOM 0 HA VAL A 152 -3.061 29.134 -2.499 1.00 10.76 H new ATOM 0 HB VAL A 152 -3.327 30.642 -0.740 1.00 12.52 H new ATOM 0 HG11 VAL A 152 -5.062 29.517 0.376 1.00 16.08 H new ATOM 0 HG12 VAL A 152 -5.129 29.240 -1.182 1.00 16.08 H new ATOM 0 HG13 VAL A 152 -4.534 28.143 -0.207 1.00 16.08 H new ATOM 0 HG21 VAL A 152 -2.909 30.006 1.485 1.00 11.20 H new ATOM 0 HG22 VAL A 152 -2.267 28.653 0.972 1.00 11.20 H new ATOM 0 HG23 VAL A 152 -1.563 30.035 0.652 1.00 11.20 H new ATOM 1221 N ALA A 153 -0.081 29.034 -2.193 1.00 15.19 N ATOM 1222 CA ALA A 153 1.241 29.650 -2.294 1.00 24.58 C ATOM 1223 C ALA A 153 1.336 30.601 -3.478 1.00 27.33 C ATOM 1224 O ALA A 153 1.977 31.655 -3.388 1.00 32.27 O ATOM 1225 CB ALA A 153 2.316 28.568 -2.402 1.00 23.15 C ATOM 0 H ALA A 153 -0.081 28.176 -2.252 1.00 15.19 H new ATOM 0 HA ALA A 153 1.384 30.171 -1.488 1.00 24.58 H new ATOM 0 HB1 ALA A 153 3.189 28.985 -2.469 1.00 23.15 H new ATOM 0 HB2 ALA A 153 2.287 28.003 -1.614 1.00 23.15 H new ATOM 0 HB3 ALA A 153 2.154 28.029 -3.192 1.00 23.15 H new ATOM 1226 N ASP A 154 0.713 30.246 -4.598 1.00 20.80 N ATOM 1227 CA ASP A 154 0.755 31.076 -5.792 1.00 23.88 C ATOM 1228 C ASP A 154 -0.589 31.730 -6.074 1.00 17.57 C ATOM 1229 O ASP A 154 -0.883 32.064 -7.225 1.00 20.57 O ATOM 1230 CB ASP A 154 1.217 30.247 -6.989 1.00 30.44 C ATOM 1231 CG ASP A 154 2.654 29.779 -6.846 1.00 49.84 C ATOM 1232 OD1 ASP A 154 3.569 30.624 -6.959 1.00 54.77 O ATOM 1233 OD2 ASP A 154 2.869 28.570 -6.610 1.00 60.94 O ATOM 0 H ASP A 154 0.258 29.522 -4.685 1.00 20.80 H new ATOM 0 HA ASP A 154 1.393 31.790 -5.637 1.00 23.88 H new ATOM 0 HB2 ASP A 154 0.637 29.476 -7.089 1.00 30.44 H new ATOM 0 HB3 ASP A 154 1.130 30.775 -7.798 1.00 30.44 H new ATOM 1234 N ARG A 155 -1.410 31.919 -5.043 1.00 13.97 N ATOM 1235 CA ARG A 155 -2.787 32.387 -5.204 1.00 10.15 C ATOM 1236 C ARG A 155 -3.046 33.561 -4.266 1.00 10.84 C ATOM 1237 O ARG A 155 -3.788 33.444 -3.284 1.00 11.23 O ATOM 1238 CB ARG A 155 -3.779 31.243 -4.962 1.00 10.96 C ATOM 1239 CG ARG A 155 -3.720 30.117 -6.013 1.00 11.01 C ATOM 1240 CD ARG A 155 -4.206 30.573 -7.389 1.00 9.43 C ATOM 1241 NE ARG A 155 -5.542 31.166 -7.350 1.00 10.00 N ATOM 1242 CZ ARG A 155 -6.674 30.494 -7.552 1.00 9.87 C ATOM 1243 NH1 ARG A 155 -6.652 29.187 -7.777 1.00 13.05 N ATOM 1244 NH2 ARG A 155 -7.838 31.130 -7.508 1.00 10.10 N ATOM 0 H ARG A 155 -1.183 31.779 -4.225 1.00 13.97 H new ATOM 0 HA ARG A 155 -2.915 32.693 -6.116 1.00 10.15 H new ATOM 0 HB2 ARG A 155 -3.610 30.862 -4.086 1.00 10.96 H new ATOM 0 HB3 ARG A 155 -4.678 31.607 -4.944 1.00 10.96 H new ATOM 0 HG2 ARG A 155 -2.808 29.795 -6.086 1.00 11.01 H new ATOM 0 HG3 ARG A 155 -4.262 29.370 -5.713 1.00 11.01 H new ATOM 0 HD2 ARG A 155 -3.580 31.220 -7.751 1.00 9.43 H new ATOM 0 HD3 ARG A 155 -4.211 29.814 -7.993 1.00 9.43 H new ATOM 0 HE ARG A 155 -5.601 32.008 -7.185 1.00 10.00 H new ATOM 0 HH11 ARG A 155 -5.902 28.766 -7.793 1.00 13.05 H new ATOM 0 HH12 ARG A 155 -7.388 28.761 -7.906 1.00 13.05 H new ATOM 0 HH21 ARG A 155 -7.861 31.975 -7.349 1.00 10.10 H new ATOM 0 HH22 ARG A 155 -8.570 30.697 -7.638 1.00 10.10 H new ATOM 1245 N PRO A 156 -2.461 34.728 -4.554 1.00 15.58 N ATOM 1246 CA PRO A 156 -2.749 35.900 -3.715 1.00 13.96 C ATOM 1247 C PRO A 156 -4.225 36.257 -3.685 1.00 13.42 C ATOM 1248 O PRO A 156 -4.672 36.885 -2.718 1.00 14.78 O ATOM 1249 CB PRO A 156 -1.903 37.015 -4.349 1.00 21.01 C ATOM 1250 CG PRO A 156 -1.595 36.551 -5.711 1.00 19.44 C ATOM 1251 CD PRO A 156 -1.567 35.050 -5.680 1.00 16.55 C ATOM 0 HA PRO A 156 -2.531 35.742 -2.783 1.00 13.96 H new ATOM 0 HB2 PRO A 156 -2.389 37.854 -4.368 1.00 21.01 H new ATOM 0 HB3 PRO A 156 -1.091 37.169 -3.841 1.00 21.01 H new ATOM 0 HG2 PRO A 156 -2.264 36.867 -6.339 1.00 19.44 H new ATOM 0 HG3 PRO A 156 -0.740 36.902 -6.006 1.00 19.44 H new ATOM 0 HD2 PRO A 156 -1.885 34.667 -6.513 1.00 16.55 H new ATOM 0 HD3 PRO A 156 -0.670 34.710 -5.536 1.00 16.55 H new ATOM 1252 N ASP A 157 -5.002 35.844 -4.691 1.00 11.54 N ATOM 1253 CA ASP A 157 -6.437 36.087 -4.684 1.00 11.15 C ATOM 1254 C ASP A 157 -7.170 35.242 -3.650 1.00 12.46 C ATOM 1255 O ASP A 157 -8.357 35.484 -3.400 1.00 13.67 O ATOM 1256 CB ASP A 157 -7.028 35.838 -6.080 1.00 10.11 C ATOM 1257 CG ASP A 157 -6.712 34.450 -6.629 1.00 11.72 C ATOM 1258 OD1 ASP A 157 -5.656 33.871 -6.289 1.00 12.44 O ATOM 1259 OD2 ASP A 157 -7.524 33.937 -7.432 1.00 12.38 O ATOM 0 H ASP A 157 -4.713 35.423 -5.383 1.00 11.54 H new ATOM 0 HA ASP A 157 -6.563 37.017 -4.437 1.00 11.15 H new ATOM 0 HB2 ASP A 157 -7.990 35.953 -6.042 1.00 10.11 H new ATOM 0 HB3 ASP A 157 -6.686 36.507 -6.693 1.00 10.11 H new ATOM 1260 N LEU A 158 -6.494 34.271 -3.038 1.00 11.97 N ATOM 1261 CA LEU A 158 -7.097 33.411 -2.028 1.00 10.23 C ATOM 1262 C LEU A 158 -6.603 33.736 -0.626 1.00 11.79 C ATOM 1263 O LEU A 158 -6.815 32.943 0.299 1.00 12.37 O ATOM 1264 CB LEU A 158 -6.807 31.944 -2.351 1.00 9.46 C ATOM 1265 CG LEU A 158 -7.351 31.426 -3.684 1.00 8.57 C ATOM 1266 CD1 LEU A 158 -7.011 29.960 -3.845 1.00 10.60 C ATOM 1267 CD2 LEU A 158 -8.859 31.630 -3.770 1.00 11.17 C ATOM 0 H LEU A 158 -5.668 34.094 -3.200 1.00 11.97 H new ATOM 0 HA LEU A 158 -8.054 33.571 -2.046 1.00 10.23 H new ATOM 0 HB2 LEU A 158 -5.846 31.814 -2.343 1.00 9.46 H new ATOM 0 HB3 LEU A 158 -7.173 31.397 -1.639 1.00 9.46 H new ATOM 0 HG LEU A 158 -6.936 31.929 -4.402 1.00 8.57 H new ATOM 0 HD11 LEU A 158 -7.359 29.638 -4.691 1.00 10.60 H new ATOM 0 HD12 LEU A 158 -6.048 29.847 -3.827 1.00 10.60 H new ATOM 0 HD13 LEU A 158 -7.409 29.454 -3.119 1.00 10.60 H new ATOM 0 HD21 LEU A 158 -9.183 31.296 -4.621 1.00 11.17 H new ATOM 0 HD22 LEU A 158 -9.293 31.149 -3.048 1.00 11.17 H new ATOM 0 HD23 LEU A 158 -9.063 32.576 -3.696 1.00 11.17 H new ATOM 1268 N ILE A 159 -5.929 34.871 -0.455 1.00 12.68 N ATOM 1269 CA ILE A 159 -5.347 35.284 0.819 1.00 12.54 C ATOM 1270 C ILE A 159 -5.921 36.644 1.182 1.00 14.32 C ATOM 1271 O ILE A 159 -6.069 37.510 0.313 1.00 16.04 O ATOM 1272 CB ILE A 159 -3.810 35.344 0.718 1.00 17.65 C ATOM 1273 CG1 ILE A 159 -3.262 33.970 0.326 1.00 17.95 C ATOM 1274 CG2 ILE A 159 -3.187 35.825 2.028 1.00 19.77 C ATOM 1275 CD1 ILE A 159 -1.908 34.035 -0.328 1.00 28.71 C ATOM 0 H ILE A 159 -5.795 35.434 -1.091 1.00 12.68 H new ATOM 0 HA ILE A 159 -5.566 34.640 1.511 1.00 12.54 H new ATOM 0 HB ILE A 159 -3.571 35.985 0.031 1.00 17.65 H new ATOM 0 HG12 ILE A 159 -3.205 33.413 1.118 1.00 17.95 H new ATOM 0 HG13 ILE A 159 -3.886 33.540 -0.279 1.00 17.95 H new ATOM 0 HG21 ILE A 159 -2.222 35.853 1.936 1.00 19.77 H new ATOM 0 HG22 ILE A 159 -3.518 36.713 2.237 1.00 19.77 H new ATOM 0 HG23 ILE A 159 -3.426 35.215 2.743 1.00 19.77 H new ATOM 0 HD11 ILE A 159 -1.614 33.139 -0.553 1.00 28.71 H new ATOM 0 HD12 ILE A 159 -1.964 34.569 -1.136 1.00 28.71 H new ATOM 0 HD13 ILE A 159 -1.272 34.440 0.283 1.00 28.71 H new ATOM 1276 N GLN A 160 -6.250 36.829 2.458 1.00 15.37 N ATOM 1277 CA GLN A 160 -6.835 38.086 2.897 1.00 17.41 C ATOM 1278 C GLN A 160 -5.814 39.210 2.851 1.00 20.00 C ATOM 1279 O GLN A 160 -4.635 39.019 3.166 1.00 19.35 O ATOM 1280 CB GLN A 160 -7.357 37.973 4.324 1.00 20.73 C ATOM 1281 CG GLN A 160 -8.443 36.956 4.562 1.00 22.40 C ATOM 1282 CD GLN A 160 -8.712 36.797 6.041 1.00 27.22 C ATOM 1283 OE1 GLN A 160 -8.766 37.785 6.774 1.00 26.66 O ATOM 1284 NE2 GLN A 160 -8.853 35.553 6.497 1.00 23.87 N ATOM 0 H GLN A 160 -6.143 36.243 3.078 1.00 15.37 H new ATOM 0 HA GLN A 160 -7.567 38.285 2.292 1.00 17.41 H new ATOM 0 HB2 GLN A 160 -6.610 37.761 4.905 1.00 20.73 H new ATOM 0 HB3 GLN A 160 -7.690 38.843 4.596 1.00 20.73 H new ATOM 0 HG2 GLN A 160 -9.255 37.231 4.109 1.00 22.40 H new ATOM 0 HG3 GLN A 160 -8.182 36.102 4.183 1.00 22.40 H new ATOM 0 HE21 GLN A 160 -8.809 34.888 5.953 1.00 23.87 H new ATOM 0 HE22 GLN A 160 -8.988 35.415 7.335 1.00 23.87 H new ATOM 1285 N ALYS A 161 -6.268 40.398 2.458 0.52 20.16 N ATOM 1286 N BLYS A 161 -6.274 40.391 2.445 0.48 20.19 N ATOM 1287 CA ALYS A 161 -5.459 41.596 2.649 0.52 24.73 C ATOM 1288 CA BLYS A 161 -5.524 41.617 2.681 0.48 24.84 C ATOM 1289 C ALYS A 161 -5.439 41.913 4.137 0.52 27.57 C ATOM 1290 C BLYS A 161 -5.474 41.850 4.182 0.48 27.54 C ATOM 1291 O ALYS A 161 -6.451 42.341 4.703 0.52 33.86 O ATOM 1292 O BLYS A 161 -6.498 42.157 4.802 0.48 33.07 O ATOM 1293 CB ALYS A 161 -6.017 42.764 1.841 0.52 27.92 C ATOM 1294 CB BLYS A 161 -6.182 42.794 1.966 0.48 27.59 C ATOM 1295 CG ALYS A 161 -5.390 44.110 2.189 0.52 29.45 C ATOM 1296 CG BLYS A 161 -5.663 43.059 0.565 0.48 25.88 C ATOM 1297 CD ALYS A 161 -4.116 44.368 1.397 0.52 31.86 C ATOM 1298 CD BLYS A 161 -6.696 43.814 -0.259 0.48 28.03 C ATOM 1299 CE ALYS A 161 -3.655 45.812 1.551 0.52 27.14 C ATOM 1300 CE BLYS A 161 -6.146 45.136 -0.770 0.48 28.89 C ATOM 1301 NZ ALYS A 161 -2.674 46.213 0.502 0.52 37.59 N ATOM 1302 NZ BLYS A 161 -7.220 45.976 -1.378 0.48 29.20 N ATOM 0 H ALYS A 161 -7.031 40.530 2.084 0.52 20.19 H new ATOM 0 H BLYS A 161 -7.019 40.502 2.031 0.48 20.19 H new ATOM 0 HA ALYS A 161 -4.555 41.444 2.333 0.52 24.84 H new ATOM 0 HA BLYS A 161 -4.624 41.535 2.329 0.48 24.84 H new ATOM 0 HB2ALYS A 161 -5.880 42.588 0.897 0.52 27.59 H new ATOM 0 HB2BLYS A 161 -7.137 42.634 1.918 0.48 27.59 H new ATOM 0 HB3ALYS A 161 -6.975 42.817 1.984 0.52 27.59 H new ATOM 0 HB3BLYS A 161 -6.055 43.593 2.501 0.48 27.59 H new ATOM 0 HG2ALYS A 161 -6.029 44.819 2.013 0.52 25.88 H new ATOM 0 HG2BLYS A 161 -4.842 43.573 0.611 0.48 25.88 H new ATOM 0 HG3ALYS A 161 -5.191 44.137 3.138 0.52 25.88 H new ATOM 0 HG3BLYS A 161 -5.448 42.219 0.131 0.48 25.88 H new ATOM 0 HD2ALYS A 161 -3.416 43.768 1.700 0.52 28.03 H new ATOM 0 HD2BLYS A 161 -6.975 43.267 -1.010 0.48 28.03 H new ATOM 0 HD3ALYS A 161 -4.270 44.173 0.459 0.52 28.03 H new ATOM 0 HD3BLYS A 161 -7.485 43.978 0.281 0.48 28.03 H new ATOM 0 HE2ALYS A 161 -4.425 46.400 1.511 0.52 28.89 H new ATOM 0 HE2BLYS A 161 -5.730 45.619 -0.039 0.48 28.89 H new ATOM 0 HE3ALYS A 161 -3.254 45.929 2.426 0.52 28.89 H new ATOM 0 HE3BLYS A 161 -5.454 44.967 -1.428 0.48 28.89 H new ATOM 0 HZ1ALYS A 161 -2.432 47.060 0.629 0.52 29.20 H new ATOM 0 HZ1BLYS A 161 -6.870 46.741 -1.668 0.48 29.20 H new ATOM 0 HZ2ALYS A 161 -1.956 45.690 0.551 0.52 29.20 H new ATOM 0 HZ2BLYS A 161 -7.587 45.540 -2.062 0.48 29.20 H new ATOM 0 HZ3ALYS A 161 -3.047 46.129 -0.302 0.52 29.20 H new ATOM 0 HZ3BLYS A 161 -7.844 46.148 -0.767 0.48 29.20 H new ATOM 1303 N ALA A 162 -4.299 41.676 4.779 1.00 23.71 N ATOM 1304 CA ALA A 162 -4.191 41.803 6.224 1.00 30.74 C ATOM 1305 C ALA A 162 -3.074 42.762 6.599 1.00 20.73 C ATOM 1306 O ALA A 162 -3.153 43.964 6.326 1.00 30.76 O ATOM 1307 CB ALA A 162 -3.954 40.432 6.861 1.00 27.33 C ATOM 0 H AALA A 162 -3.570 41.438 4.389 0.52 23.71 H new ATOM 0 H BALA A 162 -3.565 41.487 4.372 0.48 23.71 H new ATOM 0 HA ALA A 162 -5.026 42.163 6.562 1.00 30.74 H new ATOM 0 HB1 ALA A 162 -3.884 40.530 7.823 1.00 27.33 H new ATOM 0 HB2 ALA A 162 -4.696 39.844 6.649 1.00 27.33 H new ATOM 0 HB3 ALA A 162 -3.132 40.052 6.514 1.00 27.33 H new ATOM 1308 N HIS A 163 -2.030 42.232 7.215 1.00 22.88 N ATOM 1309 CA HIS A 163 -0.901 43.051 7.616 1.00 19.13 C ATOM 1310 C HIS A 163 -0.168 43.554 6.385 1.00 24.48 C ATOM 1311 O HIS A 163 0.022 42.821 5.411 1.00 29.43 O ATOM 1312 CB HIS A 163 0.046 42.248 8.506 1.00 28.72 C ATOM 1313 CG HIS A 163 -0.597 41.725 9.753 1.00 30.40 C ATOM 1314 ND1 HIS A 163 -1.876 41.212 9.773 1.00 40.97 N ATOM 1315 CD2 HIS A 163 -0.131 41.614 11.019 1.00 38.54 C ATOM 1316 CE1 HIS A 163 -2.178 40.834 11.002 1.00 39.03 C ATOM 1317 NE2 HIS A 163 -1.134 41.064 11.776 1.00 41.82 N ATOM 0 H HIS A 163 -1.956 41.398 7.411 1.00 22.88 H new ATOM 0 HA HIS A 163 -1.227 43.812 8.122 1.00 19.13 H new ATOM 0 HB2 HIS A 163 0.400 41.502 7.997 1.00 28.72 H new ATOM 0 HB3 HIS A 163 0.799 42.808 8.751 1.00 28.72 H new ATOM 0 HD2 HIS A 163 0.713 41.864 11.320 1.00 38.54 H new ATOM 0 HE1 HIS A 163 -2.988 40.468 11.275 1.00 39.03 H new ATOM 0 HE2 HIS A 163 -1.090 40.896 12.618 1.00 41.82 H new ATOM 1318 N VAL A 164 0.226 44.818 6.426 1.00 24.03 N ATOM 1319 CA VAL A 164 1.050 45.421 5.388 1.00 24.47 C ATOM 1320 C VAL A 164 2.348 45.824 6.070 1.00 27.47 C ATOM 1321 O VAL A 164 2.395 46.811 6.814 1.00 29.76 O ATOM 1322 CB VAL A 164 0.370 46.619 4.716 1.00 33.59 C ATOM 1323 CG1 VAL A 164 1.352 47.337 3.786 1.00 26.88 C ATOM 1324 CG2 VAL A 164 -0.850 46.165 3.945 1.00 26.00 C ATOM 0 H VAL A 164 0.021 45.357 7.064 1.00 24.03 H new ATOM 0 HA VAL A 164 1.205 44.791 4.667 1.00 24.47 H new ATOM 0 HB VAL A 164 0.087 47.241 5.405 1.00 33.59 H new ATOM 0 HG11 VAL A 164 0.909 48.092 3.368 1.00 26.88 H new ATOM 0 HG12 VAL A 164 2.112 47.652 4.299 1.00 26.88 H new ATOM 0 HG13 VAL A 164 1.658 46.722 3.101 1.00 26.88 H new ATOM 0 HG21 VAL A 164 -1.271 46.931 3.525 1.00 26.00 H new ATOM 0 HG22 VAL A 164 -0.584 45.529 3.263 1.00 26.00 H new ATOM 0 HG23 VAL A 164 -1.478 45.744 4.552 1.00 26.00 H new ATOM 1325 N HIS A 165 3.395 45.039 5.858 1.00 18.22 N ATOM 1326 CA HIS A 165 4.734 45.373 6.325 1.00 15.17 C ATOM 1327 C HIS A 165 5.555 45.737 5.107 1.00 18.99 C ATOM 1328 O HIS A 165 6.004 44.839 4.379 1.00 20.47 O ATOM 1329 CB HIS A 165 5.379 44.201 7.064 1.00 18.61 C ATOM 1330 CG HIS A 165 4.641 43.797 8.292 1.00 21.45 C ATOM 1331 ND1 HIS A 165 4.853 42.595 8.931 1.00 28.29 N ATOM 1332 CD2 HIS A 165 3.688 44.442 9.000 1.00 23.64 C ATOM 1333 CE1 HIS A 165 4.061 42.518 9.985 1.00 26.74 C ATOM 1334 NE2 HIS A 165 3.343 43.623 10.045 1.00 20.55 N ATOM 0 H HIS A 165 3.349 44.291 5.436 1.00 18.22 H new ATOM 0 HA HIS A 165 4.690 46.111 6.952 1.00 15.17 H new ATOM 0 HB2 HIS A 165 5.435 43.441 6.464 1.00 18.61 H new ATOM 0 HB3 HIS A 165 6.288 44.440 7.305 1.00 18.61 H new ATOM 0 HD1 HIS A 165 5.412 41.991 8.683 1.00 28.29 H new ATOM 0 HD2 HIS A 165 3.333 45.281 8.814 1.00 23.64 H new ATOM 0 HE1 HIS A 165 4.017 41.807 10.582 1.00 26.74 H new ATOM 1335 N PRO A 166 5.770 47.019 4.832 1.00 14.01 N ATOM 1336 CA PRO A 166 6.596 47.390 3.678 1.00 11.41 C ATOM 1337 C PRO A 166 7.982 46.787 3.795 1.00 11.07 C ATOM 1338 O PRO A 166 8.536 46.642 4.888 1.00 14.75 O ATOM 1339 CB PRO A 166 6.650 48.920 3.757 1.00 13.27 C ATOM 1340 CG PRO A 166 5.439 49.307 4.567 1.00 20.31 C ATOM 1341 CD PRO A 166 5.264 48.195 5.561 1.00 17.25 C ATOM 0 HA PRO A 166 6.240 47.070 2.834 1.00 11.41 H new ATOM 0 HB2 PRO A 166 7.468 49.222 4.181 1.00 13.27 H new ATOM 0 HB3 PRO A 166 6.625 49.319 2.873 1.00 13.27 H new ATOM 0 HG2 PRO A 166 5.572 50.158 5.012 1.00 20.31 H new ATOM 0 HG3 PRO A 166 4.655 49.401 4.004 1.00 20.31 H new ATOM 0 HD2 PRO A 166 5.767 48.357 6.374 1.00 17.25 H new ATOM 0 HD3 PRO A 166 4.335 48.086 5.819 1.00 17.25 H new ATOM 1342 N THR A 167 8.541 46.420 2.645 1.00 10.85 N ATOM 1343 CA THR A 167 9.946 46.074 2.570 1.00 13.33 C ATOM 1344 C THR A 167 10.777 47.333 2.773 1.00 11.03 C ATOM 1345 O THR A 167 10.251 48.446 2.841 1.00 10.72 O ATOM 1346 CB THR A 167 10.267 45.451 1.215 1.00 11.34 C ATOM 1347 OG1 THR A 167 10.064 46.434 0.187 1.00 12.04 O ATOM 1348 CG2 THR A 167 9.360 44.250 0.942 1.00 14.93 C ATOM 0 H THR A 167 8.118 46.366 1.898 1.00 10.85 H new ATOM 0 HA THR A 167 10.156 45.427 3.262 1.00 13.33 H new ATOM 0 HB THR A 167 11.189 45.151 1.221 1.00 11.34 H new ATOM 0 HG1 THR A 167 10.282 46.111 -0.557 1.00 12.04 H new ATOM 0 HG21 THR A 167 9.579 43.869 0.078 1.00 14.93 H new ATOM 0 HG22 THR A 167 9.491 43.582 1.633 1.00 14.93 H new ATOM 0 HG23 THR A 167 8.433 44.537 0.943 1.00 14.93 H new ATOM 1349 N ALA A 168 12.099 47.164 2.833 1.00 13.78 N ATOM 1350 CA ALA A 168 12.969 48.332 2.947 1.00 12.62 C ATOM 1351 C ALA A 168 12.766 49.281 1.770 1.00 11.64 C ATOM 1352 O ALA A 168 12.710 50.506 1.943 1.00 10.59 O ATOM 1353 CB ALA A 168 14.428 47.888 3.052 1.00 14.65 C ATOM 0 H ALA A 168 12.502 46.404 2.810 1.00 13.78 H new ATOM 0 HA ALA A 168 12.735 48.816 3.755 1.00 12.62 H new ATOM 0 HB1 ALA A 168 14.999 48.668 3.127 1.00 14.65 H new ATOM 0 HB2 ALA A 168 14.541 47.328 3.836 1.00 14.65 H new ATOM 0 HB3 ALA A 168 14.671 47.385 2.259 1.00 14.65 H new ATOM 1354 N ARG A 169 12.620 48.729 0.564 1.00 11.34 N ATOM 1355 CA ARG A 169 12.325 49.552 -0.601 1.00 10.40 C ATOM 1356 C ARG A 169 10.923 50.150 -0.510 1.00 12.55 C ATOM 1357 O ARG A 169 10.706 51.300 -0.909 1.00 10.51 O ATOM 1358 CB ARG A 169 12.484 48.712 -1.868 1.00 11.39 C ATOM 1359 CG ARG A 169 12.442 49.472 -3.183 1.00 15.65 C ATOM 1360 CD ARG A 169 13.512 50.560 -3.257 1.00 24.00 C ATOM 1361 NE ARG A 169 13.717 51.002 -4.635 1.00 32.14 N ATOM 1362 CZ ARG A 169 14.077 52.233 -4.986 1.00 43.30 C ATOM 1363 NH1 ARG A 169 14.275 53.162 -4.057 1.00 40.51 N ATOM 1364 NH2 ARG A 169 14.230 52.535 -6.274 1.00 31.55 N ATOM 0 H ARG A 169 12.688 47.887 0.404 1.00 11.34 H new ATOM 0 HA ARG A 169 12.951 50.292 -0.632 1.00 10.40 H new ATOM 0 HB2 ARG A 169 13.329 48.238 -1.816 1.00 11.39 H new ATOM 0 HB3 ARG A 169 11.783 48.042 -1.880 1.00 11.39 H new ATOM 0 HG2 ARG A 169 12.564 48.850 -3.918 1.00 15.65 H new ATOM 0 HG3 ARG A 169 11.566 49.874 -3.294 1.00 15.65 H new ATOM 0 HD2 ARG A 169 13.249 51.315 -2.708 1.00 24.00 H new ATOM 0 HD3 ARG A 169 14.346 50.223 -2.895 1.00 24.00 H new ATOM 0 HE ARG A 169 13.596 50.426 -5.262 1.00 32.14 H new ATOM 0 HH11 ARG A 169 14.170 52.968 -3.226 1.00 40.51 H new ATOM 0 HH12 ARG A 169 14.508 53.957 -4.287 1.00 40.51 H new ATOM 0 HH21 ARG A 169 14.096 51.935 -6.875 1.00 31.55 H new ATOM 0 HH22 ARG A 169 14.463 53.330 -6.505 1.00 31.55 H new ATOM 1365 N GLY A 170 9.960 49.382 0.013 1.00 9.58 N ATOM 1366 CA GLY A 170 8.637 49.933 0.253 1.00 9.66 C ATOM 1367 C GLY A 170 8.665 51.124 1.194 1.00 7.68 C ATOM 1368 O GLY A 170 7.920 52.088 1.001 1.00 9.22 O ATOM 0 H GLY A 170 10.056 48.555 0.230 1.00 9.58 H new ATOM 0 HA2 GLY A 170 8.244 50.201 -0.592 1.00 9.66 H new ATOM 0 HA3 GLY A 170 8.065 49.244 0.626 1.00 9.66 H new ATOM 1369 N VAL A 171 9.513 51.068 2.228 1.00 9.02 N ATOM 1370 CA VAL A 171 9.652 52.200 3.143 1.00 8.76 C ATOM 1371 C VAL A 171 10.139 53.429 2.392 1.00 10.86 C ATOM 1372 O VAL A 171 9.631 54.540 2.592 1.00 9.40 O ATOM 1373 CB VAL A 171 10.602 51.851 4.303 1.00 9.70 C ATOM 1374 CG1 VAL A 171 11.025 53.120 5.027 1.00 10.39 C ATOM 1375 CG2 VAL A 171 9.942 50.868 5.254 1.00 10.96 C ATOM 0 H VAL A 171 10.010 50.391 2.413 1.00 9.02 H new ATOM 0 HA VAL A 171 8.781 52.399 3.522 1.00 8.76 H new ATOM 0 HB VAL A 171 11.397 51.426 3.945 1.00 9.70 H new ATOM 0 HG11 VAL A 171 11.623 52.893 5.756 1.00 10.39 H new ATOM 0 HG12 VAL A 171 11.482 53.710 4.407 1.00 10.39 H new ATOM 0 HG13 VAL A 171 10.241 53.568 5.380 1.00 10.39 H new ATOM 0 HG21 VAL A 171 10.552 50.659 5.978 1.00 10.96 H new ATOM 0 HG22 VAL A 171 9.133 51.262 5.617 1.00 10.96 H new ATOM 0 HG23 VAL A 171 9.718 50.055 4.775 1.00 10.96 H new ATOM 1376 N GLU A 172 11.133 53.255 1.516 1.00 10.93 N ATOM 1377 CA GLU A 172 11.628 54.400 0.758 1.00 10.47 C ATOM 1378 C GLU A 172 10.524 54.999 -0.101 1.00 11.09 C ATOM 1379 O GLU A 172 10.442 56.222 -0.259 1.00 10.08 O ATOM 1380 CB GLU A 172 12.830 53.978 -0.089 1.00 12.35 C ATOM 1381 CG GLU A 172 14.016 53.581 0.771 1.00 16.15 C ATOM 1382 CD GLU A 172 15.212 53.107 -0.024 1.00 26.03 C ATOM 1383 OE1 GLU A 172 15.115 52.994 -1.263 1.00 25.04 O ATOM 1384 OE2 GLU A 172 16.264 52.845 0.598 1.00 22.52 O ATOM 0 H GLU A 172 11.522 52.506 1.351 1.00 10.93 H new ATOM 0 HA GLU A 172 11.916 55.089 1.377 1.00 10.47 H new ATOM 0 HB2 GLU A 172 12.579 53.233 -0.657 1.00 12.35 H new ATOM 0 HB3 GLU A 172 13.085 54.708 -0.674 1.00 12.35 H new ATOM 0 HG2 GLU A 172 14.279 54.340 1.315 1.00 16.15 H new ATOM 0 HG3 GLU A 172 13.743 52.877 1.380 1.00 16.15 H new ATOM 1385 N AGLU A 173 9.656 54.151 -0.655 0.45 8.92 N ATOM 1386 N BGLU A 173 9.662 54.143 -0.655 0.55 8.90 N ATOM 1387 CA AGLU A 173 8.505 54.643 -1.401 0.45 9.59 C ATOM 1388 CA BGLU A 173 8.503 54.603 -1.410 0.55 9.57 C ATOM 1389 C AGLU A 173 7.610 55.508 -0.528 0.45 11.67 C ATOM 1390 C BGLU A 173 7.593 55.476 -0.549 0.55 11.69 C ATOM 1391 O AGLU A 173 7.169 56.586 -0.943 0.45 10.12 O ATOM 1392 O BGLU A 173 7.138 56.539 -0.987 0.55 10.08 O ATOM 1393 CB AGLU A 173 7.718 53.465 -1.960 0.45 11.55 C ATOM 1394 CB BGLU A 173 7.748 53.387 -1.951 0.55 11.50 C ATOM 1395 CG AGLU A 173 8.391 52.854 -3.127 0.45 12.76 C ATOM 1396 CG BGLU A 173 6.683 53.702 -2.970 0.55 12.90 C ATOM 1397 CD AGLU A 173 8.390 53.775 -4.305 0.45 17.51 C ATOM 1398 CD BGLU A 173 7.256 54.266 -4.241 0.55 16.62 C ATOM 1399 OE1AGLU A 173 7.320 54.355 -4.598 0.45 11.68 O ATOM 1400 OE1BGLU A 173 8.405 53.914 -4.607 0.55 13.70 O ATOM 1401 OE2AGLU A 173 9.461 53.927 -4.923 0.45 16.55 O ATOM 1402 OE2BGLU A 173 6.555 55.077 -4.875 0.55 13.04 O ATOM 0 H AGLU A 173 9.717 53.294 -0.609 0.45 8.90 H new ATOM 0 H BGLU A 173 9.735 53.288 -0.603 0.55 8.90 H new ATOM 0 HA AGLU A 173 8.826 55.194 -2.132 0.45 9.57 H new ATOM 0 HA BGLU A 173 8.803 55.152 -2.152 0.55 9.57 H new ATOM 0 HB2AGLU A 173 7.603 52.796 -1.267 0.45 11.50 H new ATOM 0 HB2BGLU A 173 8.388 52.777 -2.350 0.55 11.50 H new ATOM 0 HB3AGLU A 173 6.831 53.762 -2.218 0.45 11.50 H new ATOM 0 HB3BGLU A 173 7.337 52.921 -1.206 0.55 11.50 H new ATOM 0 HG2AGLU A 173 9.305 52.627 -2.893 0.45 12.90 H new ATOM 0 HG2BGLU A 173 6.184 52.895 -3.173 0.55 12.90 H new ATOM 0 HG3AGLU A 173 7.945 52.026 -3.362 0.45 12.90 H new ATOM 0 HG3BGLU A 173 6.054 54.337 -2.592 0.55 12.90 H new ATOM 1403 N LEU A 174 7.322 55.038 0.688 1.00 9.63 N ATOM 1404 CA LEU A 174 6.474 55.809 1.593 1.00 8.00 C ATOM 1405 C LEU A 174 7.130 57.131 1.983 1.00 8.69 C ATOM 1406 O LEU A 174 6.450 58.158 2.088 1.00 8.79 O ATOM 1407 CB LEU A 174 6.163 54.989 2.848 1.00 8.85 C ATOM 1408 CG LEU A 174 5.352 53.708 2.661 1.00 9.18 C ATOM 1409 CD1 LEU A 174 5.240 53.000 4.015 1.00 13.32 C ATOM 1410 CD2 LEU A 174 3.975 53.984 2.067 1.00 10.88 C ATOM 0 H ALEU A 174 7.603 54.288 1.002 0.45 9.63 H new ATOM 0 H BLEU A 174 7.620 54.301 1.016 0.55 9.63 H new ATOM 0 HA LEU A 174 5.648 56.011 1.127 1.00 8.00 H new ATOM 0 HB2 LEU A 174 7.004 54.753 3.269 1.00 8.85 H new ATOM 0 HB3 LEU A 174 5.685 55.560 3.469 1.00 8.85 H new ATOM 0 HG LEU A 174 5.810 53.135 2.027 1.00 9.18 H new ATOM 0 HD11 LEU A 174 4.727 52.183 3.912 1.00 13.32 H new ATOM 0 HD12 LEU A 174 6.127 52.785 4.342 1.00 13.32 H new ATOM 0 HD13 LEU A 174 4.795 53.583 4.650 1.00 13.32 H new ATOM 0 HD21 LEU A 174 3.493 53.148 1.964 1.00 10.88 H new ATOM 0 HD22 LEU A 174 3.479 54.572 2.658 1.00 10.88 H new ATOM 0 HD23 LEU A 174 4.075 54.407 1.200 1.00 10.88 H new ATOM 1411 N VAL A 175 8.445 57.109 2.226 1.00 8.56 N ATOM 1412 CA VAL A 175 9.178 58.329 2.560 1.00 9.70 C ATOM 1413 C VAL A 175 9.095 59.334 1.412 1.00 8.39 C ATOM 1414 O VAL A 175 8.833 60.527 1.625 1.00 10.06 O ATOM 1415 CB VAL A 175 10.635 57.981 2.919 1.00 7.82 C ATOM 1416 CG1 VAL A 175 11.477 59.236 2.987 1.00 11.08 C ATOM 1417 CG2 VAL A 175 10.679 57.276 4.252 1.00 10.29 C ATOM 0 H VAL A 175 8.928 56.398 2.202 1.00 8.56 H new ATOM 0 HA VAL A 175 8.773 58.747 3.336 1.00 9.70 H new ATOM 0 HB VAL A 175 10.992 57.399 2.230 1.00 7.82 H new ATOM 0 HG11 VAL A 175 12.390 59.001 3.214 1.00 11.08 H new ATOM 0 HG12 VAL A 175 11.463 59.683 2.126 1.00 11.08 H new ATOM 0 HG13 VAL A 175 11.119 59.830 3.665 1.00 11.08 H new ATOM 0 HG21 VAL A 175 11.598 57.059 4.473 1.00 10.29 H new ATOM 0 HG22 VAL A 175 10.310 57.855 4.937 1.00 10.29 H new ATOM 0 HG23 VAL A 175 10.157 56.460 4.204 1.00 10.29 H new ATOM 1418 N ASER A 176 9.322 58.870 0.180 0.69 9.29 N ATOM 1419 N BSER A 176 9.298 58.865 0.177 0.31 9.38 N ATOM 1420 CA ASER A 176 9.242 59.773 -0.962 0.69 10.02 C ATOM 1421 CA BSER A 176 9.242 59.758 -0.975 0.31 10.10 C ATOM 1422 C ASER A 176 7.865 60.411 -1.081 0.69 9.48 C ATOM 1423 C BSER A 176 7.861 60.376 -1.152 0.31 9.60 C ATOM 1424 O ASER A 176 7.752 61.579 -1.466 0.69 11.59 O ATOM 1425 O BSER A 176 7.743 61.490 -1.673 0.31 12.15 O ATOM 1426 CB ASER A 176 9.600 59.023 -2.245 0.69 12.26 C ATOM 1427 CB BSER A 176 9.644 59.004 -2.243 0.31 12.28 C ATOM 1428 OG ASER A 176 10.966 58.640 -2.227 0.69 14.08 O ATOM 1429 OG BSER A 176 8.637 58.084 -2.621 0.31 15.86 O ATOM 0 H ASER A 176 9.519 58.055 -0.010 0.69 9.38 H new ATOM 0 H BSER A 176 9.467 58.043 -0.010 0.31 9.38 H new ATOM 0 HA ASER A 176 9.881 60.490 -0.823 0.69 10.10 H new ATOM 0 HA BSER A 176 9.868 60.481 -0.814 0.31 10.10 H new ATOM 0 HB2ASER A 176 9.039 58.237 -2.335 0.69 12.28 H new ATOM 0 HB2BSER A 176 9.799 59.634 -2.964 0.31 12.28 H new ATOM 0 HB3ASER A 176 9.426 59.586 -3.015 0.69 12.28 H new ATOM 0 HB3BSER A 176 10.479 58.533 -2.093 0.31 12.28 H new ATOM 0 HG ASER A 176 11.061 57.962 -1.740 0.69 15.86 H new ATOM 0 HG BSER A 176 8.353 57.684 -1.939 0.31 15.86 H new ATOM 1430 N ALA A 177 6.805 59.676 -0.732 1.00 8.28 N ATOM 1431 CA ALA A 177 5.453 60.198 -0.886 1.00 8.72 C ATOM 1432 C ALA A 177 5.022 61.116 0.245 1.00 9.12 C ATOM 1433 O ALA A 177 4.093 61.906 0.051 1.00 13.79 O ATOM 1434 CB ALA A 177 4.448 59.044 -0.999 1.00 10.17 C ATOM 0 H AALA A 177 6.850 58.881 -0.408 0.69 8.28 H new ATOM 0 H BALA A 177 6.853 58.903 -0.358 0.31 8.28 H new ATOM 0 HA ALA A 177 5.465 60.727 -1.699 1.00 8.72 H new ATOM 0 HB1 ALA A 177 3.553 59.403 -1.101 1.00 10.17 H new ATOM 0 HB2 ALA A 177 4.667 58.498 -1.771 1.00 10.17 H new ATOM 0 HB3 ALA A 177 4.488 58.500 -0.197 1.00 10.17 H new ATOM 1435 N THR A 178 5.650 61.027 1.417 1.00 7.34 N ATOM 1436 CA THR A 178 5.157 61.725 2.595 1.00 8.63 C ATOM 1437 C THR A 178 6.118 62.753 3.176 1.00 8.61 C ATOM 1438 O THR A 178 5.710 63.493 4.078 1.00 9.82 O ATOM 1439 CB THR A 178 4.794 60.721 3.704 1.00 6.64 C ATOM 1440 OG1 THR A 178 5.937 59.933 4.044 1.00 9.30 O ATOM 1441 CG2 THR A 178 3.670 59.792 3.234 1.00 11.57 C ATOM 0 H THR A 178 6.364 60.566 1.548 1.00 7.34 H new ATOM 0 HA THR A 178 4.377 62.210 2.284 1.00 8.63 H new ATOM 0 HB THR A 178 4.497 61.219 4.482 1.00 6.64 H new ATOM 0 HG1 THR A 178 6.090 59.381 3.429 1.00 9.30 H new ATOM 0 HG21 THR A 178 3.451 59.165 3.941 1.00 11.57 H new ATOM 0 HG22 THR A 178 2.885 60.318 3.015 1.00 11.57 H new ATOM 0 HG23 THR A 178 3.961 59.304 2.448 1.00 11.57 H new ATOM 1442 N SER A 179 7.368 62.828 2.700 1.00 8.66 N ATOM 1443 CA SER A 179 8.314 63.756 3.319 1.00 9.72 C ATOM 1444 C SER A 179 7.897 65.207 3.134 1.00 10.74 C ATOM 1445 O SER A 179 8.141 66.025 4.027 1.00 8.86 O ATOM 1446 CB SER A 179 9.724 63.555 2.763 1.00 8.01 C ATOM 1447 OG SER A 179 10.257 62.304 3.134 1.00 12.62 O ATOM 0 H SER A 179 7.677 62.367 2.043 1.00 8.66 H new ATOM 0 HA SER A 179 8.313 63.559 4.269 1.00 9.72 H new ATOM 0 HB2 SER A 179 9.704 63.624 1.796 1.00 8.01 H new ATOM 0 HB3 SER A 179 10.303 64.263 3.086 1.00 8.01 H new ATOM 0 HG SER A 179 9.865 61.695 2.709 1.00 12.62 H new ATOM 1448 N ASN A 180 7.265 65.548 2.004 1.00 9.36 N ATOM 1449 CA ASN A 180 6.756 66.908 1.827 1.00 9.21 C ATOM 1450 C ASN A 180 5.788 67.273 2.942 1.00 11.99 C ATOM 1451 O ASN A 180 5.861 68.368 3.513 1.00 11.35 O ATOM 1452 CB ASN A 180 6.059 67.059 0.473 1.00 9.81 C ATOM 1453 CG ASN A 180 7.027 67.167 -0.688 1.00 18.23 C ATOM 1454 OD1 ASN A 180 8.213 67.409 -0.506 1.00 18.82 O ATOM 1455 ND2 ASN A 180 6.513 66.985 -1.899 1.00 17.97 N ATOM 0 H ASN A 180 7.124 65.017 1.342 1.00 9.36 H new ATOM 0 HA ASN A 180 7.515 67.511 1.858 1.00 9.21 H new ATOM 0 HB2 ASN A 180 5.475 66.298 0.330 1.00 9.81 H new ATOM 0 HB3 ASN A 180 5.496 67.849 0.492 1.00 9.81 H new ATOM 0 HD21 ASN A 180 7.019 67.036 -2.593 1.00 17.97 H new ATOM 0 HD22 ASN A 180 5.675 66.817 -1.989 1.00 17.97 H new ATOM 1456 N ALA A 181 4.869 66.356 3.269 1.00 8.83 N ATOM 1457 CA ALA A 181 3.880 66.633 4.309 1.00 9.45 C ATOM 1458 C ALA A 181 4.536 66.784 5.672 1.00 10.58 C ATOM 1459 O ALA A 181 4.122 67.632 6.473 1.00 11.61 O ATOM 1460 CB ALA A 181 2.834 65.520 4.346 1.00 11.56 C ATOM 0 H ALA A 181 4.804 65.580 2.905 1.00 8.83 H new ATOM 0 HA ALA A 181 3.445 67.473 4.094 1.00 9.45 H new ATOM 0 HB1 ALA A 181 2.182 65.711 5.038 1.00 11.56 H new ATOM 0 HB2 ALA A 181 2.387 65.467 3.487 1.00 11.56 H new ATOM 0 HB3 ALA A 181 3.268 64.674 4.536 1.00 11.56 H new ATOM 1461 N VAL A 182 5.552 65.969 5.958 1.00 8.91 N ATOM 1462 CA VAL A 182 6.245 66.070 7.237 1.00 8.28 C ATOM 1463 C VAL A 182 6.981 67.399 7.334 1.00 10.59 C ATOM 1464 O VAL A 182 6.874 68.116 8.338 1.00 10.35 O ATOM 1465 CB VAL A 182 7.206 64.884 7.415 1.00 8.85 C ATOM 1466 CG1 VAL A 182 8.021 65.057 8.703 1.00 9.13 C ATOM 1467 CG2 VAL A 182 6.418 63.568 7.437 1.00 10.14 C ATOM 0 H VAL A 182 5.851 65.359 5.431 1.00 8.91 H new ATOM 0 HA VAL A 182 5.593 66.037 7.955 1.00 8.28 H new ATOM 0 HB VAL A 182 7.822 64.857 6.666 1.00 8.85 H new ATOM 0 HG11 VAL A 182 8.625 64.305 8.808 1.00 9.13 H new ATOM 0 HG12 VAL A 182 8.534 65.879 8.653 1.00 9.13 H new ATOM 0 HG13 VAL A 182 7.420 65.097 9.463 1.00 9.13 H new ATOM 0 HG21 VAL A 182 7.031 62.825 7.550 1.00 10.14 H new ATOM 0 HG22 VAL A 182 5.787 63.581 8.174 1.00 10.14 H new ATOM 0 HG23 VAL A 182 5.936 63.465 6.601 1.00 10.14 H new ATOM 1468 N ALA A 183 7.726 67.750 6.280 1.00 9.98 N ATOM 1469 CA ALA A 183 8.484 68.996 6.281 1.00 9.14 C ATOM 1470 C ALA A 183 7.569 70.198 6.458 1.00 12.91 C ATOM 1471 O ALA A 183 7.925 71.162 7.148 1.00 13.40 O ATOM 1472 CB ALA A 183 9.290 69.111 4.982 1.00 9.40 C ATOM 0 H ALA A 183 7.803 67.282 5.563 1.00 9.98 H new ATOM 0 HA ALA A 183 9.096 68.985 7.033 1.00 9.14 H new ATOM 0 HB1 ALA A 183 9.793 69.940 4.985 1.00 9.40 H new ATOM 0 HB2 ALA A 183 9.903 68.362 4.914 1.00 9.40 H new ATOM 0 HB3 ALA A 183 8.685 69.103 4.224 1.00 9.40 H new ATOM 1473 N ALYS A 184 6.376 70.153 5.857 0.51 10.48 N ATOM 1474 N BLYS A 184 6.394 70.170 5.825 0.49 10.49 N ATOM 1475 CA ALYS A 184 5.443 71.272 5.957 0.51 15.09 C ATOM 1476 CA BLYS A 184 5.458 71.278 5.973 0.49 15.11 C ATOM 1477 C ALYS A 184 4.771 71.336 7.323 0.51 14.65 C ATOM 1478 C BLYS A 184 4.910 71.351 7.392 0.49 14.45 C ATOM 1479 O ALYS A 184 4.367 72.418 7.763 0.51 16.68 O ATOM 1480 O BLYS A 184 4.750 72.445 7.944 0.49 15.44 O ATOM 1481 CB ALYS A 184 4.388 71.172 4.857 0.51 15.13 C ATOM 1482 CB BLYS A 184 4.315 71.143 4.968 0.49 15.13 C ATOM 1483 CG ALYS A 184 3.414 72.340 4.802 0.51 18.82 C ATOM 1484 CG BLYS A 184 4.703 71.423 3.525 0.49 18.82 C ATOM 1485 CD ALYS A 184 2.223 72.003 3.922 0.51 25.67 C ATOM 1486 CD BLYS A 184 3.462 71.665 2.679 0.49 18.71 C ATOM 1487 CE ALYS A 184 1.405 73.241 3.589 0.51 27.01 C ATOM 1488 CE BLYS A 184 3.581 71.030 1.302 0.49 26.55 C ATOM 1489 NZ ALYS A 184 0.385 72.957 2.540 0.51 24.89 N ATOM 1490 NZ BLYS A 184 2.245 70.874 0.661 0.49 27.79 N ATOM 0 H ALYS A 184 6.092 69.488 5.391 0.51 10.49 H new ATOM 0 H BLYS A 184 6.126 69.531 5.316 0.49 10.49 H new ATOM 0 HA ALYS A 184 5.953 72.089 5.845 0.51 15.11 H new ATOM 0 HA BLYS A 184 5.938 72.102 5.795 0.49 15.11 H new ATOM 0 HB2ALYS A 184 4.837 71.101 4.000 0.51 15.13 H new ATOM 0 HB2BLYS A 184 3.955 70.244 5.025 0.49 15.13 H new ATOM 0 HB3ALYS A 184 3.884 70.352 4.982 0.51 15.13 H new ATOM 0 HB3BLYS A 184 3.603 71.751 5.223 0.49 15.13 H new ATOM 0 HG2ALYS A 184 3.110 72.556 5.697 0.51 18.82 H new ATOM 0 HG2BLYS A 184 5.285 72.198 3.485 0.49 18.82 H new ATOM 0 HG3ALYS A 184 3.864 73.127 4.458 0.51 18.82 H new ATOM 0 HG3BLYS A 184 5.204 70.673 3.167 0.49 18.82 H new ATOM 0 HD2ALYS A 184 2.533 71.589 3.102 0.51 18.71 H new ATOM 0 HD2BLYS A 184 2.685 71.305 3.135 0.49 18.71 H new ATOM 0 HD3ALYS A 184 1.660 71.354 4.372 0.51 18.71 H new ATOM 0 HD3BLYS A 184 3.317 72.619 2.583 0.49 18.71 H new ATOM 0 HE2ALYS A 184 0.965 73.564 4.391 0.51 26.55 H new ATOM 0 HE2BLYS A 184 4.150 71.578 0.739 0.49 26.55 H new ATOM 0 HE3ALYS A 184 1.995 73.948 3.285 0.51 26.55 H new ATOM 0 HE3BLYS A 184 4.008 70.163 1.379 0.49 26.55 H new ATOM 0 HZ1ALYS A 184 -0.077 73.698 2.366 0.51 27.79 H new ATOM 0 HZ1BLYS A 184 2.342 70.501 -0.141 0.49 27.79 H new ATOM 0 HZ2ALYS A 184 0.791 72.680 1.798 0.51 27.79 H new ATOM 0 HZ2BLYS A 184 1.731 70.355 1.169 0.49 27.79 H new ATOM 0 HZ3ALYS A 184 -0.169 72.323 2.828 0.51 27.79 H new ATOM 0 HZ3BLYS A 184 1.863 71.673 0.572 0.49 27.79 H new ATOM 1491 N ALA A 185 4.629 70.196 8.001 1.00 10.92 N ATOM 1492 CA ALA A 185 4.022 70.179 9.328 1.00 9.58 C ATOM 1493 C ALA A 185 4.989 70.613 10.414 1.00 12.63 C ATOM 1494 O ALA A 185 4.548 71.008 11.502 1.00 13.44 O ATOM 1495 CB ALA A 185 3.483 68.777 9.635 1.00 10.73 C ATOM 0 H AALA A 185 4.877 69.426 7.710 0.51 10.92 H new ATOM 0 H BALA A 185 4.782 69.420 7.664 0.49 10.92 H new ATOM 0 HA ALA A 185 3.294 70.819 9.321 1.00 9.58 H new ATOM 0 HB1 ALA A 185 3.081 68.771 10.518 1.00 10.73 H new ATOM 0 HB2 ALA A 185 2.815 68.535 8.974 1.00 10.73 H new ATOM 0 HB3 ALA A 185 4.211 68.137 9.608 1.00 10.73 H new ATOM 1496 N LEU A 186 6.284 70.530 10.159 1.00 12.20 N ATOM 1497 CA LEU A 186 7.278 70.941 11.139 1.00 12.03 C ATOM 1498 C LEU A 186 7.399 72.460 11.130 1.00 13.15 C ATOM 1499 O LEU A 186 7.757 73.035 10.097 1.00 15.01 O ATOM 1500 CB LEU A 186 8.625 70.297 10.823 1.00 11.67 C ATOM 1501 CG LEU A 186 9.802 70.628 11.747 1.00 11.92 C ATOM 1502 CD1 LEU A 186 9.581 70.073 13.146 1.00 13.94 C ATOM 1503 CD2 LEU A 186 11.090 70.081 11.143 1.00 13.70 C ATOM 0 H LEU A 186 6.612 70.237 9.420 1.00 12.20 H new ATOM 0 HA LEU A 186 7.000 70.650 12.022 1.00 12.03 H new ATOM 0 HB2 LEU A 186 8.504 69.335 10.825 1.00 11.67 H new ATOM 0 HB3 LEU A 186 8.873 70.550 9.920 1.00 11.67 H new ATOM 0 HG LEU A 186 9.872 71.592 11.829 1.00 11.92 H new ATOM 0 HD11 LEU A 186 10.340 70.297 13.707 1.00 13.94 H new ATOM 0 HD12 LEU A 186 8.775 70.459 13.524 1.00 13.94 H new ATOM 0 HD13 LEU A 186 9.487 69.109 13.101 1.00 13.94 H new ATOM 0 HD21 LEU A 186 11.836 70.290 11.727 1.00 13.70 H new ATOM 0 HD22 LEU A 186 11.018 69.119 11.043 1.00 13.70 H new ATOM 0 HD23 LEU A 186 11.237 70.486 10.274 1.00 13.70 H new ATOM 1504 N PRO A 187 7.091 73.143 12.232 1.00 11.44 N ATOM 1505 CA PRO A 187 7.231 74.605 12.256 1.00 15.70 C ATOM 1506 C PRO A 187 8.649 75.045 11.912 1.00 17.58 C ATOM 1507 O PRO A 187 9.630 74.364 12.219 1.00 18.62 O ATOM 1508 CB PRO A 187 6.864 74.972 13.699 1.00 18.21 C ATOM 1509 CG PRO A 187 6.001 73.828 14.175 1.00 18.24 C ATOM 1510 CD PRO A 187 6.557 72.608 13.500 1.00 12.92 C ATOM 0 HA PRO A 187 6.670 75.045 11.598 1.00 15.70 H new ATOM 0 HB2 PRO A 187 7.656 75.070 14.250 1.00 18.21 H new ATOM 0 HB3 PRO A 187 6.385 75.815 13.738 1.00 18.21 H new ATOM 0 HG2 PRO A 187 6.036 73.741 15.140 1.00 18.24 H new ATOM 0 HG3 PRO A 187 5.071 73.968 13.936 1.00 18.24 H new ATOM 0 HD2 PRO A 187 7.250 72.188 14.033 1.00 12.92 H new ATOM 0 HD3 PRO A 187 5.872 71.939 13.347 1.00 12.92 H new ATOM 1511 N ALA A 188 8.749 76.198 11.262 1.00 25.34 N ATOM 1512 CA ALA A 188 10.050 76.721 10.848 1.00 27.19 C ATOM 1513 C ALA A 188 10.828 77.274 12.038 1.00 25.89 C ATOM 1514 O ALA A 188 10.303 77.368 13.149 1.00 32.69 O ATOM 1515 CB ALA A 188 9.875 77.797 9.785 1.00 34.88 C ATOM 0 H ALA A 188 8.079 76.694 11.050 1.00 25.34 H new ATOM 0 HA ALA A 188 10.560 75.987 10.471 1.00 27.19 H new ATOM 0 HB1 ALA A 188 10.745 78.135 9.520 1.00 34.88 H new ATOM 0 HB2 ALA A 188 9.426 77.419 9.013 1.00 34.88 H new ATOM 0 HB3 ALA A 188 9.342 78.524 10.144 1.00 34.88 H new TER 1516 ALA A 188 HETATM 1517 CD CD A 201 15.547 31.693 23.829 0.87 11.54 CD HETATM 1518 CD CD A 202 -18.453 20.487 14.130 0.76 12.92 CD HETATM 1519 CD CD A 203 1.410 43.837 11.502 0.75 18.50 CD HETATM 1520 CD CD A 204 9.105 69.711 -1.268 0.49 15.98 CD HETATM 1521 C ACT A 205 -0.300 33.463 11.093 1.00 33.53 C HETATM 1522 O ACT A 205 -0.233 34.040 10.030 1.00 33.92 O HETATM 1523 OXT ACT A 205 -0.943 33.815 11.981 1.00 29.21 O HETATM 1524 CH3 ACT A 205 0.523 32.160 11.310 1.00 30.43 C HETATM 0 H3 ACT A 205 0.252 31.494 10.659 1.00 30.43 H new HETATM 0 H2 ACT A 205 1.468 32.352 11.202 1.00 30.43 H new HETATM 0 H1 ACT A 205 0.363 31.821 12.205 1.00 30.43 H new HETATM 1525 C ACT A 206 7.204 70.065 -3.781 0.70 28.24 C HETATM 1526 O ACT A 206 7.178 71.280 -3.630 0.70 33.39 O HETATM 1527 OXT ACT A 206 7.854 69.316 -3.076 0.70 29.19 O HETATM 1528 CH3 ACT A 206 6.418 69.474 -4.934 0.70 25.63 C HETATM 0 H3 ACT A 206 5.479 69.695 -4.833 0.70 25.63 H new HETATM 0 H2 ACT A 206 6.747 69.839 -5.771 0.70 25.63 H new HETATM 0 H1 ACT A 206 6.524 68.510 -4.938 0.70 25.63 H new HETATM 1529 C1 GOL A 207 -21.099 22.485 13.785 1.00 19.55 C HETATM 1530 O1 GOL A 207 -20.658 21.278 13.211 1.00 18.59 O HETATM 1531 C2 GOL A 207 -20.974 22.365 15.341 1.00 19.00 C HETATM 1532 O2 GOL A 207 -19.670 22.068 15.752 1.00 18.88 O HETATM 1533 C3 GOL A 207 -21.988 21.266 15.770 1.00 16.89 C HETATM 1534 O3 GOL A 207 -22.041 21.256 17.191 1.00 19.60 O HETATM 0 HO3 GOL A 207 -21.456 20.732 17.490 1.00 19.60 H new HETATM 0 HO2 GOL A 207 -19.686 21.425 16.293 1.00 18.88 H new HETATM 0 H32 GOL A 207 -22.865 21.449 15.398 1.00 16.89 H new HETATM 0 H31 GOL A 207 -21.712 20.399 15.434 1.00 16.89 H new HETATM 0 H2 GOL A 207 -21.176 23.212 15.768 1.00 19.00 H new HETATM 0 H12 GOL A 207 -20.567 23.228 13.460 1.00 19.55 H new HETATM 0 H11 GOL A 207 -22.019 22.663 13.533 1.00 19.55 H new HETATM 1535 O HOH A 301 8.724 73.062 8.002 1.00 29.87 O HETATM 1536 O HOH A 302 8.040 38.106 20.649 1.00 39.08 O HETATM 1537 O HOH A 303 4.904 4.203 12.072 1.00 28.26 O HETATM 1538 O HOH A 304 -13.877 11.584 29.116 1.00 21.81 O HETATM 1539 O HOH A 305 17.662 52.533 -1.339 1.00 18.15 O HETATM 1540 O HOH A 306 6.527 57.467 -3.610 1.00 17.97 O HETATM 1541 O HOH A 307 14.091 7.959 14.112 1.00 29.70 O HETATM 1542 O HOH A 308 -20.306 7.857 6.836 1.00 18.72 O HETATM 1543 O HOH A 309 11.087 52.097 -5.396 1.00 33.22 O HETATM 1544 O HOH A 310 -1.137 32.805 22.175 1.00 25.62 O HETATM 1545 O HOH A 311 4.280 54.164 -5.448 1.00 17.58 O HETATM 1546 O HOH A 312 18.606 24.021 14.174 1.00 18.81 O HETATM 1547 O HOH A 313 4.019 32.407 -2.093 1.00 41.02 O HETATM 1548 O HOH A 314 -16.016 35.273 4.600 1.00 36.07 O HETATM 1549 O HOH A 315 -18.924 31.115 3.115 1.00 18.59 O HETATM 1550 O HOH A 316 16.854 28.302 0.324 1.00 18.80 O HETATM 1551 O HOH A 317 -21.482 21.301 10.794 1.00 36.48 O HETATM 1552 O HOH A 318 6.379 74.417 8.028 1.00 31.42 O HETATM 1553 O HOH A 319 -17.961 13.715 20.511 1.00 21.15 O HETATM 1554 O HOH A 320 6.139 26.369 30.600 1.00 19.31 O HETATM 1555 O HOH A 321 -1.482 32.722 14.250 1.00 17.50 O HETATM 1556 O HOH A 322 -19.359 12.951 23.798 1.00 19.26 O HETATM 1557 O HOH A 323 6.969 41.138 8.610 1.00 31.01 O HETATM 1558 O HOH A 324 -19.159 25.259 7.799 1.00 23.91 O HETATM 1559 O HOH A 325 10.301 39.365 17.246 1.00 30.36 O HETATM 1560 O HOH A 326 -19.195 23.128 5.899 1.00 24.00 O HETATM 1561 O HOH A 327 26.886 30.387 8.762 1.00 20.39 O HETATM 1562 O HOH A 328 13.449 16.916 19.740 1.00 27.70 O HETATM 1563 O HOH A 329 -0.543 20.403 -1.977 1.00 34.31 O HETATM 1564 O HOH A 330 -0.426 35.866 13.875 1.00 32.03 O HETATM 1565 O HOH A 331 9.072 57.175 -5.061 1.00 17.85 O HETATM 1566 O HOH A 332 11.758 30.761 21.275 1.00 12.22 O HETATM 1567 O HOH A 333 10.518 28.023 2.518 1.00 13.85 O HETATM 1568 O HOH A 334 -2.663 30.083 24.001 1.00 14.97 O HETATM 1569 O HOH A 335 10.711 45.388 -2.173 1.00 13.03 O HETATM 1570 O HOH A 336 18.346 29.592 16.840 1.00 15.66 O HETATM 1571 O HOH A 337 -17.434 14.593 8.891 1.00 12.48 O HETATM 1572 O HOH A 338 -4.908 20.187 32.775 1.00 15.04 O HETATM 1573 O HOH A 339 -21.859 11.970 6.529 1.00 29.01 O HETATM 1574 O HOH A 340 4.730 13.294 4.030 1.00 24.79 O HETATM 1575 O HOH A 341 5.836 17.157 26.808 1.00 20.29 O HETATM 1576 O HOH A 342 7.681 20.190 6.178 1.00 11.83 O HETATM 1577 O HOH A 343 -15.370 9.240 25.453 1.00 21.92 O HETATM 1578 O HOH A 344 -9.600 15.495 32.437 1.00 25.48 O HETATM 1579 O HOH A 345 1.908 27.622 12.177 1.00 12.17 O HETATM 1580 O HOH A 346 -14.224 28.519 4.189 1.00 13.96 O HETATM 1581 O HOH A 347 2.437 29.404 15.240 1.00 8.70 O HETATM 1582 O HOH A 348 -20.077 19.513 17.854 1.00 18.44 O HETATM 1583 O HOH A 349 7.247 64.026 -0.419 1.00 17.98 O HETATM 1584 O HOH A 350 15.188 18.020 8.522 1.00 20.74 O HETATM 1585 O HOH A 351 2.065 72.031 11.907 1.00 19.34 O HETATM 1586 O HOH A 352 -3.764 34.750 -8.034 1.00 24.55 O HETATM 1587 O HOH A 353 -14.509 19.222 22.637 1.00 22.74 O HETATM 1588 O HOH A 354 8.036 15.648 27.368 1.00 32.28 O HETATM 1589 O HOH A 355 -3.166 37.478 4.878 1.00 21.55 O HETATM 1590 O HOH A 356 -1.962 22.963 0.637 1.00 13.13 O HETATM 1591 O HOH A 357 1.372 9.375 18.917 1.00 17.93 O HETATM 1592 O HOH A 358 -18.528 16.510 2.095 1.00 30.65 O HETATM 1593 O HOH A 359 -2.724 5.017 19.255 1.00 31.46 O HETATM 1594 O HOH A 360 -13.561 15.861 23.097 1.00 12.30 O HETATM 1595 O HOH A 361 -20.355 17.625 10.656 1.00 24.59 O HETATM 1596 O HOH A 362 16.374 22.121 10.583 1.00 11.65 O HETATM 1597 O HOH A 363 9.379 7.570 11.977 1.00 30.98 O HETATM 1598 O HOH A 364 5.976 26.924 26.799 1.00 12.57 O HETATM 1599 O HOH A 365 8.869 22.671 6.317 1.00 9.92 O HETATM 1600 O HOH A 366 -18.581 5.377 15.628 1.00 29.64 O HETATM 1601 O HOH A 367 -6.955 6.832 17.507 1.00 18.65 O HETATM 1602 O HOH A 368 -24.109 19.501 17.764 1.00 12.45 O HETATM 1603 O HOH A 369 7.032 9.872 9.819 1.00 32.04 O HETATM 1604 O HOH A 370 -0.770 29.112 25.910 1.00 14.24 O HETATM 1605 O HOH A 371 15.609 22.739 5.026 1.00 17.30 O HETATM 1606 O HOH A 372 12.086 23.881 2.227 1.00 20.92 O HETATM 1607 O HOH A 373 -8.296 13.864 25.997 1.00 15.93 O HETATM 1608 O HOH A 374 -18.512 7.548 12.957 1.00 15.78 O HETATM 1609 O HOH A 375 19.007 33.819 7.373 1.00 13.13 O HETATM 1610 O HOH A 376 -9.000 28.816 8.855 1.00 14.24 O HETATM 1611 O HOH A 377 1.563 68.759 6.236 1.00 20.34 O HETATM 1612 O HOH A 378 10.067 13.122 7.813 1.00 23.99 O HETATM 1613 O HOH A 379 -16.803 20.770 15.937 1.00 17.21 O HETATM 1614 O HOH A 380 -18.473 11.536 19.025 1.00 16.15 O HETATM 1615 O HOH A 381 0.851 13.924 3.682 1.00 35.62 O HETATM 1616 O HOH A 382 -18.218 21.971 10.326 1.00 16.52 O HETATM 1617 O HOH A 383 0.048 9.365 12.493 1.00 20.51 O HETATM 1618 O HOH A 384 2.984 22.141 12.798 1.00 8.56 O HETATM 1619 O HOH A 385 0.896 21.644 28.587 1.00 12.82 O HETATM 1620 O HOH A 386 14.226 12.684 13.048 1.00 20.88 O HETATM 1621 O HOH A 387 -18.041 23.959 17.110 1.00 39.60 O HETATM 1622 O HOH A 388 -6.683 8.026 20.473 1.00 28.19 O HETATM 1623 O HOH A 389 -15.967 21.560 3.064 1.00 16.93 O HETATM 1624 O HOH A 390 -20.885 7.570 11.527 1.00 18.24 O HETATM 1625 O HOH A 391 -8.281 38.804 -0.929 1.00 32.74 O HETATM 1626 O HOH A 392 7.820 29.845 20.784 1.00 11.32 O HETATM 1627 O HOH A 393 -14.474 23.136 18.602 1.00 22.64 O HETATM 1628 O HOH A 394 -1.432 22.768 29.857 1.00 11.80 O HETATM 1629 O HOH A 395 3.699 11.374 6.309 1.00 24.97 O HETATM 1630 O HOH A 396 -15.461 28.130 11.594 1.00 23.43 O HETATM 1631 O HOH A 397 3.973 64.553 1.225 1.00 13.17 O HETATM 1632 O HOH A 398 4.031 6.334 24.046 1.00 42.53 O HETATM 1633 O HOH A 399 -17.180 8.016 10.657 1.00 14.30 O HETATM 1634 O HOH A 400 9.311 72.343 -2.021 1.00 27.58 O HETATM 1635 O HOH A 401 2.564 25.826 5.329 1.00 10.89 O HETATM 1636 O HOH A 402 -22.638 2.756 9.122 1.00 23.97 O HETATM 1637 O HOH A 403 1.666 33.367 21.572 1.00 15.78 O HETATM 1638 O HOH A 404 3.095 9.058 17.098 1.00 26.89 O HETATM 1639 O HOH A 405 9.282 19.646 4.091 1.00 16.05 O HETATM 1640 O HOH A 406 6.174 10.445 24.756 1.00 27.24 O HETATM 1641 O HOH A 407 -9.344 5.743 16.527 1.00 25.42 O HETATM 1642 O HOH A 408 13.308 44.538 2.913 1.00 17.31 O HETATM 1643 O HOH A 409 11.090 29.789 18.799 1.00 12.74 O HETATM 1644 O HOH A 410 -10.396 12.820 27.230 1.00 26.74 O HETATM 1645 O HOH A 411 -14.198 20.104 30.182 1.00 28.32 O HETATM 1646 O HOH A 412 -8.087 32.853 18.680 1.00 23.14 O HETATM 1647 O HOH A 413 10.630 23.359 25.236 1.00 25.72 O HETATM 1648 O HOH A 414 -4.557 27.179 -7.724 1.00 12.04 O HETATM 1649 O HOH A 415 2.741 35.645 18.096 1.00 26.69 O HETATM 1650 O HOH A 416 -11.862 22.153 23.516 1.00 26.24 O HETATM 1651 O HOH A 417 -0.948 27.958 -5.365 1.00 29.93 O HETATM 1652 O HOH A 418 -6.086 12.363 26.681 1.00 19.43 O HETATM 1653 O HOH A 419 20.079 23.169 16.386 1.00 17.77 O HETATM 1654 O HOH A 420 2.436 19.584 1.029 1.00 16.01 O HETATM 1655 O HOH A 421 -15.986 20.076 18.846 1.00 33.24 O HETATM 1656 O HOH A 422 15.484 19.299 19.287 1.00 33.57 O HETATM 1657 O HOH A 423 1.410 61.876 1.305 1.00 30.18 O HETATM 1658 O HOH A 424 -12.514 9.189 25.642 1.00 21.37 O HETATM 1659 O HOH A 425 -7.045 26.549 23.736 1.00 20.22 O HETATM 1660 O HOH A 426 3.929 28.180 5.681 1.00 13.33 O HETATM 1661 O HOH A 427 10.269 29.440 23.310 1.00 13.11 O HETATM 1662 O HOH A 428 -14.663 22.422 13.664 1.00 20.44 O HETATM 1663 O HOH A 429 7.229 20.030 -0.423 1.00 33.39 O HETATM 1664 O HOH A 430 -14.721 6.552 10.554 1.00 18.35 O HETATM 1665 O HOH A 431 1.346 9.228 15.107 1.00 20.68 O HETATM 1666 O HOH A 432 -9.046 38.431 -3.476 1.00 26.00 O HETATM 1667 O HOH A 433 16.784 51.044 -2.907 1.00 31.39 O HETATM 1668 O HOH A 434 2.547 35.744 22.351 1.00 32.02 O HETATM 1669 O HOH A 435 21.422 33.512 4.498 1.00 17.48 O HETATM 1670 O HOH A 436 7.951 48.716 7.101 1.00 22.66 O HETATM 1671 O HOH A 437 1.783 29.724 0.808 1.00 29.13 O HETATM 1672 O HOH A 438 -20.261 14.983 9.520 1.00 27.80 O HETATM 1673 O HOH A 439 -14.408 24.990 13.832 1.00 23.42 O HETATM 1674 O HOH A 440 8.795 26.523 0.812 1.00 21.36 O HETATM 1675 O HOH A 441 4.478 29.800 7.584 1.00 26.23 O HETATM 1676 O HOH A 442 -20.098 15.761 21.000 1.00 26.03 O HETATM 1677 O HOH A 443 -2.593 38.323 12.362 1.00 44.97 O HETATM 1678 O HOH A 444 -12.479 15.748 30.835 1.00 24.38 O HETATM 1679 O HOH A 445 -20.056 10.246 5.905 1.00 20.37 O HETATM 1680 O HOH A 446 -0.589 20.548 0.659 1.00 26.87 O HETATM 1681 O HOH A 447 14.951 24.006 2.589 1.00 24.38 O HETATM 1682 O HOH A 448 9.954 20.692 25.418 1.00 32.14 O HETATM 1683 O HOH A 449 -19.092 6.800 9.141 1.00 19.40 O HETATM 1684 O HOH A 450 4.883 64.099 -2.327 1.00 29.61 O HETATM 1685 O HOH A 451 -18.546 4.739 12.950 1.00 32.52 O HETATM 1686 O HOH A 452 6.444 59.953 -4.420 1.00 20.65 O HETATM 1687 O HOH A 453 6.786 70.788 -0.184 1.00 37.86 O HETATM 1688 O HOH A 454 14.778 15.063 8.818 1.00 29.93 O HETATM 1689 O HOH A 455 -9.753 7.602 21.730 1.00 36.10 O HETATM 1690 O HOH A 456 -19.486 18.614 15.428 1.00 21.65 O HETATM 1691 O HOH A 457 -17.398 22.457 12.950 1.00 20.46 O HETATM 1692 O HOH A 458 -9.703 23.722 26.288 1.00 31.97 O HETATM 1693 O HOH A 459 17.330 21.497 8.171 1.00 29.13 O HETATM 1694 O HOH A 460 -1.458 22.211 -3.484 1.00 31.95 O HETATM 1695 O HOH A 461 11.574 21.341 3.698 1.00 25.37 O HETATM 1696 O HOH A 462 -2.512 21.542 32.576 1.00 23.65 O HETATM 1697 O HOH A 463 13.693 20.611 5.018 1.00 21.08 O HETATM 1698 O HOH A 464 11.486 24.561 -0.170 1.00 31.61 O HETATM 1699 O HOH A 465 11.921 28.838 0.276 1.00 24.63 O HETATM 1700 O HOH A 466 14.117 27.830 -1.033 1.00 28.70 O HETATM 1701 O HOH A 467 2.307 66.580 0.255 1.00 36.07 O HETATM 1702 O HOH A 468 18.763 22.697 11.699 1.00 18.55 O HETATM 1703 O HOH A 469 -15.351 15.351 30.460 0.50 32.43 O HETATM 1704 O HOH A 470 3.832 29.857 3.388 1.00 28.12 O HETATM 1705 O HOH A 471 0.004 23.754 -5.917 1.00 33.46 O HETATM 1706 O HOH A 472 -18.092 20.797 19.270 1.00 33.33 O HETATM 1707 O HOH A 473 1.003 6.832 19.786 1.00 31.89 O HETATM 1708 O HOH A 474 -5.256 29.513 24.818 1.00 29.15 O HETATM 1709 O HOH A 475 20.081 23.931 6.952 1.00 35.82 O HETATM 1710 O HOH A 476 14.144 56.915 1.492 1.00 26.58 O HETATM 1711 O HOH A 477 3.957 31.443 7.860 1.00 35.11 O HETATM 1712 O HOH A 478 -19.735 24.238 10.275 1.00 30.03 O HETATM 1713 O HOH A 479 -6.780 39.709 -5.500 1.00 34.45 O HETATM 1714 O HOH A 480 0.389 6.689 15.423 1.00 28.79 O HETATM 1715 O HOH A 481 -1.616 5.719 13.766 1.00 26.68 O HETATM 1716 O HOH A 482 -2.257 28.818 28.181 1.00 19.30 O HETATM 1717 O HOH A 483 -5.152 4.837 17.582 1.00 21.19 O HETATM 1718 O HOH A 484 14.570 18.340 5.528 1.00 29.43 O HETATM 1719 O HOH A 485 9.608 17.132 3.253 1.00 30.24 O HETATM 1720 O HOH A 486 -11.001 6.999 25.524 1.00 38.27 O HETATM 1721 O HOH A 487 -2.194 27.661 -8.843 1.00 29.08 O HETATM 1722 O HOH A 488 3.212 75.879 15.309 1.00 32.15 O CONECT 244 1518 CONECT 245 1518 CONECT 691 1517 CONECT 692 1517 CONECT 1334 1519 CONECT 1454 1520 CONECT 1517 691 692 CONECT 1518 244 245 1530 1532 CONECT 1518 1613 1690 1691 CONECT 1519 1334 CONECT 1520 1454 1527 CONECT 1521 1522 1523 1524 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1521 CONECT 1525 1526 1527 1528 CONECT 1526 1525 CONECT 1527 1520 1525 CONECT 1528 1525 CONECT 1529 1530 1531 CONECT 1530 1518 1529 CONECT 1531 1529 1532 1533 CONECT 1532 1518 1531 CONECT 1533 1531 1534 CONECT 1534 1533 CONECT 1613 1518 CONECT 1690 1518 CONECT 1691 1518 END