USER MOD reduce.3.24.130724 H: found=0, std=0, add=1455, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1451 hydrogens (44 hets) HEADER HYDROLASE 08-JAN-18 6C2N TITLE CRYSTAL STRUCTURE OF HCV NS3/4A DOUBLE MUTANT VARIANT Y56H/D168A IN TITLE 2 COMPLEX WITH DANOPREVIR COMPND MOL_ID: 1; COMPND 2 MOLECULE: NS4A COFACTOR-NS3 PROTEIN CHIMERA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS SUBTYPE 1A; SOURCE 3 ORGANISM_TAXID: 31646; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-28A KEYWDS NS3/4A PROTEASE, HEPATITIS C VIRUS, DRUG RESISTANCE, PROTEASE KEYWDS 2 INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR A.N.MATTHEW,C.A.SCHIFFER REVDAT 1 16-JAN-19 6C2N 0 JRNL AUTH A.N.MATTHEW,C.A.SCHIFFER JRNL TITL CLINICAL SIGNATURE VARIANT OF HCV NS3/4A PROTEASE USES A JRNL TITL 2 NOVEL MECHANISM TO CONFER RESISTANCE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.12-2829 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 27.68 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.1 REMARK 3 NUMBER OF REFLECTIONS : 17982 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.164 REMARK 3 R VALUE (WORKING SET) : 0.162 REMARK 3 FREE R VALUE : 0.190 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.820 REMARK 3 FREE R VALUE TEST SET COUNT : 866 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 27.6808 - 3.2721 1.00 3104 160 0.1650 0.1889 REMARK 3 2 3.2721 - 2.5978 1.00 2983 148 0.1656 0.1801 REMARK 3 3 2.5978 - 2.2696 1.00 2946 147 0.1515 0.1892 REMARK 3 4 2.2696 - 2.0621 1.00 2931 148 0.1483 0.1803 REMARK 3 5 2.0621 - 1.9144 1.00 2910 148 0.1602 0.1980 REMARK 3 6 1.9144 - 1.8015 0.77 2242 115 0.1999 0.2359 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) : 0.170 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.970 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.009 1514 REMARK 3 ANGLE : 1.303 2074 REMARK 3 CHIRALITY : 0.068 244 REMARK 3 PLANARITY : 0.008 263 REMARK 3 DIHEDRAL : 16.918 894 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 6C2N COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-JAN-18. REMARK 100 THE DEPOSITION ID IS D_1000231903. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JUL-17 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54178 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RIGAKU SATURN 944 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : HKL-3000 703X REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18030 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.802 REMARK 200 RESOLUTION RANGE LOW (A) : 27.677 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.4 REMARK 200 DATA REDUNDANCY : 7.700 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.09800 REMARK 200 FOR THE DATA SET : 17.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.91 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.29900 REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 5VOJ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.41 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM MES BUFFER PH 6.5, 4% (W/V) REMARK 280 AMMONIUM SULFATE, 20-26% PEG 3350, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 288K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 29.98200 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 29.44550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 27.67750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 29.44550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.98200 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 27.67750 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 980 REMARK 465 SER A 981 REMARK 465 ARG A 1180 REMARK 465 SER A 1181 REMARK 465 PRO A 1182 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 988 CG CD CE NZ REMARK 470 GLU A1013 CG CD OE1 OE2 REMARK 470 GLU A1014 CG CD OE1 OE2 REMARK 470 GLN A1017 CG CD OE1 NE2 REMARK 470 GLN A1021 CG CD OE1 NE2 REMARK 470 LYS A1026 CG CD CE NZ REMARK 470 GLN A1028 CG CD OE1 NE2 REMARK 470 GLN A1089 CG CD OE1 NE2 REMARK 470 ARG A1092 CG CD NE CZ NH1 NH2 REMARK 470 ARG A1161 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HE2 HIS A 1056 O HOH A 1301 1.46 REMARK 500 O HOH A 1301 O HOH A 1355 1.85 REMARK 500 O HOH A 1442 O HOH A 1463 1.90 REMARK 500 O HOH A 1444 O HOH A 1474 1.96 REMARK 500 O HOH A 1305 O HOH A 1349 1.96 REMARK 500 O HOH A 1403 O HOH A 1464 1.96 REMARK 500 O HOH A 1400 O HOH A 1464 2.00 REMARK 500 O HOH A 1447 O HOH A 1457 2.03 REMARK 500 NE2 HIS A 1056 O HOH A 1301 2.11 REMARK 500 O HOH A 1380 O HOH A 1490 2.14 REMARK 500 O HOH A 1323 O HOH A 1431 2.18 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 THR A1038 -168.26 -110.53 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 ZN A1201 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A1097 SG REMARK 620 2 CYS A1099 SG 108.3 REMARK 620 3 CYS A1145 SG 110.1 117.2 REMARK 620 4 HIS A1149 ND1 122.3 98.9 100.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 1201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 1202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue TSV A 1203 DBREF 6C2N A 990 1000 UNP A8DG50 A8DG50_9HEPC 1678 1688 DBREF 6C2N A 1003 1182 UNP A8DG50 A8DG50_9HEPC 1029 1208 SEQADV 6C2N GLY A 980 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N SER A 981 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N HIS A 982 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N MET A 983 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N ALA A 984 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N SER A 985 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N MET A 986 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N LYS A 987 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N LYS A 988 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N LYS A 989 UNP A8DG50 EXPRESSION TAG SEQADV 6C2N SER A 991 UNP A8DG50 CYS 1679 ENGINEERED MUTATION SEQADV 6C2N ILE A 998 UNP A8DG50 VAL 1686 ENGINEERED MUTATION SEQADV 6C2N ASN A 999 UNP A8DG50 ILE 1687 ENGINEERED MUTATION SEQADV 6C2N SER A 1001 UNP A8DG50 LINKER SEQADV 6C2N GLY A 1002 UNP A8DG50 LINKER SEQADV 6C2N ASP A 1003 UNP A8DG50 ILE 1029 ENGINEERED MUTATION SEQADV 6C2N GLU A 1013 UNP A8DG50 LEU 1039 ENGINEERED MUTATION SEQADV 6C2N GLU A 1014 UNP A8DG50 LEU 1040 ENGINEERED MUTATION SEQADV 6C2N GLN A 1017 UNP A8DG50 ILE 1043 ENGINEERED MUTATION SEQADV 6C2N GLU A 1018 UNP A8DG50 ILE 1044 ENGINEERED MUTATION SEQADV 6C2N GLN A 1021 UNP A8DG50 LEU 1047 ENGINEERED MUTATION SEQADV 6C2N THR A 1040 UNP A8DG50 ALA 1066 ENGINEERED MUTATION SEQADV 6C2N SER A 1047 UNP A8DG50 CYS 1073 ENGINEERED MUTATION SEQADV 6C2N LEU A 1052 UNP A8DG50 CYS 1078 ENGINEERED MUTATION SEQADV 6C2N HIS A 1056 UNP A8DG50 TYR 1082 ENGINEERED MUTATION SEQADV 6C2N THR A 1072 UNP A8DG50 ILE 1098 ENGINEERED MUTATION SEQADV 6C2N GLN A 1086 UNP A8DG50 PRO 1112 ENGINEERED MUTATION SEQADV 6C2N SER A 1159 UNP A8DG50 CYS 1185 ENGINEERED MUTATION SEQADV 6C2N ALA A 1168 UNP A8DG50 ASP 1194 ENGINEERED MUTATION SEQRES 1 A 203 GLY SER HIS MET ALA SER MET LYS LYS LYS GLY SER VAL SEQRES 2 A 203 VAL ILE VAL GLY ARG ILE ASN LEU SER GLY ASP THR ALA SEQRES 3 A 203 TYR ALA GLN GLN THR ARG GLY GLU GLU GLY CYS GLN GLU SEQRES 4 A 203 THR SER GLN THR GLY ARG ASP LYS ASN GLN VAL GLU GLY SEQRES 5 A 203 GLU VAL GLN ILE VAL SER THR ALA THR GLN THR PHE LEU SEQRES 6 A 203 ALA THR SER ILE ASN GLY VAL LEU TRP THR VAL HIS HIS SEQRES 7 A 203 GLY ALA GLY THR ARG THR ILE ALA SER PRO LYS GLY PRO SEQRES 8 A 203 VAL THR GLN MET TYR THR ASN VAL ASP LYS ASP LEU VAL SEQRES 9 A 203 GLY TRP GLN ALA PRO GLN GLY SER ARG SER LEU THR PRO SEQRES 10 A 203 CYS THR CYS GLY SER SER ASP LEU TYR LEU VAL THR ARG SEQRES 11 A 203 HIS ALA ASP VAL ILE PRO VAL ARG ARG ARG GLY ASP SER SEQRES 12 A 203 ARG GLY SER LEU LEU SER PRO ARG PRO ILE SER TYR LEU SEQRES 13 A 203 LYS GLY SER SER GLY GLY PRO LEU LEU CYS PRO ALA GLY SEQRES 14 A 203 HIS ALA VAL GLY ILE PHE ARG ALA ALA VAL SER THR ARG SEQRES 15 A 203 GLY VAL ALA LYS ALA VAL ALA PHE ILE PRO VAL GLU SER SEQRES 16 A 203 LEU GLU THR THR MET ARG SER PRO HET ZN A1201 1 HET SO4 A1202 5 HET TSV A1203 95 HETNAM ZN ZINC ION HETNAM SO4 SULFATE ION HETNAM TSV (2R,6S,12Z,13AS,14AR,16AS)-6-[(TERT-BUTOXYCARBONYL) HETNAM 2 TSV AMINO]-14A-[(CYCLOPROPYLSULFONYL)CARBAMOYL]-5,16- HETNAM 3 TSV DIOXO-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A- HETNAM 4 TSV HEXADECAHYDROCYCLOPROPA[E]PYRROLO[1,2-A][1, HETNAM 5 TSV 4]DIAZACYCLOPENTADECIN-2-YL 4-FLUORO-2H-ISOINDOLE-2- HETNAM 6 TSV CARBOXYLATE HETSYN TSV ITMN-191; DANOPREVIR FORMUL 2 ZN ZN 2+ FORMUL 3 SO4 O4 S 2- FORMUL 4 TSV C35 H44 F N5 O9 S FORMUL 5 HOH *198(H2 O) HELIX 1 AA1 HIS A 982 MET A 986 5 5 HELIX 2 AA2 GLY A 1012 GLY A 1023 1 12 HELIX 3 AA3 HIS A 1056 GLY A 1060 1 5 HELIX 4 AA4 SER A 1133 LEU A 1135 5 3 HELIX 5 AA5 VAL A 1172 MET A 1179 1 8 SHEET 1 AA1 7 TYR A1006 GLN A1009 0 SHEET 2 AA1 7 VAL A 993 ASN A 999 -1 N ASN A 999 O TYR A1006 SHEET 3 AA1 7 VAL A1033 SER A1037 -1 O ILE A1035 N VAL A 995 SHEET 4 AA1 7 THR A1042 ILE A1048 -1 O ALA A1045 N GLN A1034 SHEET 5 AA1 7 VAL A1051 VAL A1055 -1 O TRP A1053 N THR A1046 SHEET 6 AA1 7 LEU A1082 GLN A1086 -1 O TRP A1085 N LEU A1052 SHEET 7 AA1 7 TYR A1075 ASN A1077 -1 N ASN A1077 O LEU A1082 SHEET 1 AA2 7 ASP A1103 VAL A1107 0 SHEET 2 AA2 7 VAL A1113 ARG A1118 -1 O VAL A1116 N LEU A1104 SHEET 3 AA2 7 ARG A1123 PRO A1131 -1 O SER A1125 N ARG A1117 SHEET 4 AA2 7 VAL A1163 PRO A1171 -1 O ALA A1164 N ARG A1130 SHEET 5 AA2 7 ALA A1150 THR A1160 -1 N ALA A1156 O ALA A1168 SHEET 6 AA2 7 PRO A1142 LEU A1144 -1 N LEU A1143 O VAL A1151 SHEET 7 AA2 7 ASP A1103 VAL A1107 -1 N TYR A1105 O LEU A1144 LINK SG CYS A1097 ZN ZN A1201 1555 1555 2.25 LINK SG CYS A1099 ZN ZN A1201 1555 1555 2.37 LINK SG CYS A1145 ZN ZN A1201 1555 1555 2.31 LINK ND1 HIS A1149 ZN ZN A1201 1555 1555 2.07 SITE *** AC1 4 CYS A1097 CYS A1099 CYS A1145 HIS A1149 SITE *** AC2 7 ARG A1109 HIS A1110 HOH A1318 HOH A1321 SITE *** AC2 7 HOH A1347 HOH A1376 HOH A1415 SITE *** AC3 21 HIS A 982 GLN A1041 PHE A1043 HIS A1057 SITE *** AC3 21 GLY A1058 ASP A1079 ASP A1081 ARG A1123 SITE *** AC3 21 LEU A1135 LYS A1136 GLY A1137 SER A1138 SITE *** AC3 21 SER A1139 PHE A1154 ARG A1155 ALA A1156 SITE *** AC3 21 ALA A1157 HOH A1303 HOH A1336 HOH A1386 SITE *** AC3 21 HOH A1497 CRYST1 59.964 55.355 58.891 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016677 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018065 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016981 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: A1149 HIS HD1 : A1149 HIS ND1 : A1201 ZNZN :(H bumps) USER MOD NoAdj-H: A1203 TSV H3 : A1203 TSV C3 : A1203 TSV C5 :(H bumps) USER MOD Set 1.1: A1080 LYS NZ :NH3+ -173:sc= 0.52 (180deg=0) USER MOD Set 1.2: A1174 SER OG : rot 150:sc= -0.614 USER MOD Set 1.3: A1178 THR OG1 : rot -68:sc= 1.02 USER MOD Set 2.1: A1057 HIS : no HE2:sc= 1.09 K(o=1.4,f=-7!) USER MOD Set 2.2: A1139 SER OG : rot -86:sc= 0.304 USER MOD Set 3.1: A1073 GLN : amide:sc= 1.8 K(o=5.1,f=2.5) USER MOD Set 3.2: A1076 THR OG1 : rot -80:sc= 3.3 USER MOD Set 4.1: A1047 SER OG A: rot 177:sc= 1.79 USER MOD Set 4.2: A1093 SER OG : rot -14:sc= 2.1 USER MOD Set 5.1: A1037 SER OG : rot 178:sc= 1.01 USER MOD Set 5.2: A1042 THR OG1 : rot 31:sc= 0.441 USER MOD Set 6.1: A1038 THR OG1 : rot -160:sc= 0.604 USER MOD Set 6.2: A1040 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 999 ASN : amide:sc= 2.07 K(o=3.1,f=-4.6!) USER MOD Set 7.2: A1001 SER OG : rot -66:sc= 1.07 USER MOD Set 7.3: A1006 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 991 SER OG : rot -50:sc= 2.28 USER MOD Set 8.2: A1063 THR OG1 : rot -135:sc= 1.92 USER MOD Set 9.1: A 982 HIS : no HD1:sc= 2.11 K(o=2.1,f=-4.4!) USER MOD Set 9.2: A 985 SER OG : rot 180:sc= 0 USER MOD Single : A 983 MET CE :methyl -150:sc= -0.644 (180deg=-1.32) USER MOD Single : A 986 MET CE :methyl -174:sc= 0 (180deg=-0.0299) USER MOD Single : A 987 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1004 THR OG1 : rot 180:sc= 0 USER MOD Single : A1008 GLN : amide:sc= 0.28 K(o=0.28,f=-0.35) USER MOD Single : A1009 GLN : amide:sc= 0.116 X(o=0.12,f=0.0029) USER MOD Single : A1010 THR OG1 : rot 100:sc= 1.79 USER MOD Single : A1016 CYS SG : rot -170:sc= -0.0327 USER MOD Single : A1019 THR OG1 : rot 85:sc= 1.92 USER MOD Single : A1020 SER OG : rot 64:sc= 1.42 USER MOD Single : A1022 THR OG1 : rot -164:sc= 1.25 USER MOD Single : A1027 ASN : amide:sc= 1.24 K(o=1.2,f=-0.78!) USER MOD Single : A1034 GLN : amide:sc= 1.86 K(o=1.9,f=1.1) USER MOD Single : A1041 GLN : amide:sc= -0.0472 K(o=-0.047,f=-0.58) USER MOD Single : A1046 THR OG1 : rot 89:sc= 0.791 USER MOD Single : A1047 SER OG B: rot 108:sc= 1.3 USER MOD Single : A1049 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.9!) USER MOD Single : A1054 THR OG1 : rot 108:sc= 1.42 USER MOD Single : A1056 HIS : no HD1:sc= 2.08 K(o=2.1,f=-5.2!) USER MOD Single : A1061 THR OG1 : rot 104:sc= 1.03 USER MOD Single : A1066 SER OG : rot -48:sc= 1.33 USER MOD Single : A1068 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1072 THR OG1 : rot -80:sc= 2.44 USER MOD Single : A1074 MET CE :methyl -161:sc= -0.49 (180deg=-1.55) USER MOD Single : A1075 TYR OH : rot 180:sc= 0 USER MOD Single : A1077 ASN : amide:sc= -0.593 K(o=-0.59,f=-8!) USER MOD Single : A1086 GLN : amide:sc= 1.67 K(o=1.7,f=1) USER MOD Single : A1091 SER OG : rot -88:sc= 2.32 USER MOD Single : A1095 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A1098 THR OG1 : rot -74:sc= 1.2 USER MOD Single : A1101 SER OG : rot 123:sc= 0.653 USER MOD Single : A1102 SER OG : rot 86:sc= 0.69 USER MOD Single : A1105 TYR OH : rot -30:sc= 1.03 USER MOD Single : A1108 THR OG1 : rot 166:sc= 0.085 USER MOD Single : A1110 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4!) USER MOD Single : A1122 SER OG A: rot 123:sc= 2.22 USER MOD Single : A1122 SER OG B: rot -59:sc= 1.96 USER MOD Single : A1125 SER OG : rot 121:sc= 1.65 USER MOD Single : A1128 SER OG : rot 86:sc= 0.936 USER MOD Single : A1133 SER OG : rot 180:sc= 0.00813 USER MOD Single : A1134 TYR OH : rot 180:sc= -0.125 USER MOD Single : A1136 LYS NZ :NH3+ -168:sc= 1.68 (180deg=1.52) USER MOD Single : A1138 SER OG : rot 72:sc= 1.82 USER MOD Single : A1159 SER OG : rot 126:sc= 1.42 USER MOD Single : A1160 THR OG1 : rot 180:sc= 0 USER MOD Single : A1165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1177 THR OG1 : rot 67:sc= 0.597 USER MOD Single : A1179 MET CE :methyl 166:sc= -2.15 (180deg=-2.56) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 982 7.693 5.483 23.585 1.00 48.95 N ATOM 2 CA HIS A 982 7.484 6.286 24.790 1.00 46.08 C ATOM 3 C HIS A 982 6.190 7.089 24.667 1.00 36.81 C ATOM 4 O HIS A 982 5.582 7.149 23.599 1.00 33.88 O ATOM 5 CB HIS A 982 8.681 7.212 25.028 1.00 44.51 C ATOM 6 CG HIS A 982 8.998 8.094 23.862 1.00 39.94 C ATOM 7 ND1 HIS A 982 8.516 9.381 23.749 1.00 40.97 N ATOM 8 CD2 HIS A 982 9.733 7.867 22.745 1.00 46.34 C ATOM 9 CE1 HIS A 982 8.942 9.911 22.616 1.00 40.87 C ATOM 10 NE2 HIS A 982 9.684 9.014 21.989 1.00 46.77 N ATOM 0 HA HIS A 982 7.405 5.693 25.554 1.00 46.08 H new ATOM 0 HB2 HIS A 982 8.502 7.766 25.804 1.00 44.51 H new ATOM 0 HB3 HIS A 982 9.460 6.673 25.238 1.00 44.51 H new ATOM 0 HD2 HIS A 982 10.185 7.083 22.531 1.00 46.34 H new ATOM 0 HE1 HIS A 982 8.752 10.769 22.311 1.00 40.87 H new ATOM 0 HE2 HIS A 982 10.073 9.130 21.231 1.00 46.77 H new ATOM 17 N MET A 983 5.772 7.728 25.760 1.00 33.66 N ATOM 18 CA MET A 983 4.416 8.267 25.817 1.00 29.25 C ATOM 19 C MET A 983 4.190 9.353 24.772 1.00 35.40 C ATOM 20 O MET A 983 3.120 9.417 24.157 1.00 35.95 O ATOM 21 CB MET A 983 4.119 8.815 27.214 1.00 33.30 C ATOM 22 CG MET A 983 4.079 7.782 28.324 1.00 32.80 C ATOM 23 SD MET A 983 3.100 6.295 27.961 1.00 46.30 S ATOM 24 CE MET A 983 1.631 6.942 27.192 1.00 30.46 C ATOM 0 H MET A 983 6.247 7.858 26.465 1.00 33.66 H new ATOM 0 HA MET A 983 3.807 7.538 25.621 1.00 29.25 H new ATOM 0 HB2 MET A 983 4.792 9.478 27.434 1.00 33.30 H new ATOM 0 HB3 MET A 983 3.265 9.274 27.190 1.00 33.30 H new ATOM 0 HG2 MET A 983 4.988 7.512 28.528 1.00 32.80 H new ATOM 0 HG3 MET A 983 3.722 8.200 29.123 1.00 32.80 H new ATOM 0 HE1 MET A 983 0.882 6.356 27.381 1.00 30.46 H new ATOM 0 HE2 MET A 983 1.445 7.827 27.542 1.00 30.46 H new ATOM 0 HE3 MET A 983 1.765 6.996 26.233 1.00 30.46 H new ATOM 34 N ALA A 984 5.180 10.215 24.552 1.00 28.30 N ATOM 35 CA ALA A 984 4.958 11.380 23.700 1.00 35.68 C ATOM 36 C ALA A 984 4.777 11.009 22.233 1.00 32.32 C ATOM 37 O ALA A 984 4.193 11.791 21.473 1.00 34.42 O ATOM 38 CB ALA A 984 6.130 12.352 23.836 1.00 37.55 C ATOM 0 H ALA A 984 5.972 10.146 24.879 1.00 28.30 H new ATOM 0 HA ALA A 984 4.135 11.797 23.999 1.00 35.68 H new ATOM 0 HB1 ALA A 984 5.978 13.124 23.268 1.00 37.55 H new ATOM 0 HB2 ALA A 984 6.206 12.640 24.759 1.00 37.55 H new ATOM 0 HB3 ALA A 984 6.950 11.910 23.567 1.00 37.55 H new ATOM 44 N SER A 985 5.275 9.851 21.820 1.00 30.70 N ATOM 45 CA SER A 985 5.270 9.449 20.422 1.00 37.50 C ATOM 46 C SER A 985 4.181 8.436 20.113 1.00 38.68 C ATOM 47 O SER A 985 4.123 7.919 18.989 1.00 31.42 O ATOM 48 CB SER A 985 6.625 8.858 20.047 1.00 35.27 C ATOM 49 OG SER A 985 6.812 7.613 20.698 1.00 47.17 O ATOM 0 H SER A 985 5.628 9.272 22.348 1.00 30.70 H new ATOM 0 HA SER A 985 5.091 10.245 19.898 1.00 37.50 H new ATOM 0 HB2 SER A 985 6.679 8.739 19.086 1.00 35.27 H new ATOM 0 HB3 SER A 985 7.334 9.471 20.297 1.00 35.27 H new ATOM 0 HG SER A 985 7.560 7.295 20.485 1.00 47.17 H new ATOM 55 N MET A 986 3.327 8.125 21.082 1.00 30.31 N ATOM 56 CA MET A 986 2.324 7.099 20.860 1.00 35.10 C ATOM 57 C MET A 986 1.355 7.566 19.788 1.00 36.14 C ATOM 58 O MET A 986 0.871 8.700 19.818 1.00 28.62 O ATOM 59 CB MET A 986 1.589 6.773 22.155 1.00 31.27 C ATOM 60 CG MET A 986 2.478 6.065 23.169 1.00 28.04 C ATOM 61 SD MET A 986 2.896 4.386 22.674 1.00 46.34 S ATOM 62 CE MET A 986 1.363 3.515 23.029 1.00 34.74 C ATOM 0 H MET A 986 3.313 8.490 21.861 1.00 30.31 H new ATOM 0 HA MET A 986 2.760 6.286 20.559 1.00 35.10 H new ATOM 0 HB2 MET A 986 1.248 7.593 22.545 1.00 31.27 H new ATOM 0 HB3 MET A 986 0.822 6.214 21.956 1.00 31.27 H new ATOM 0 HG2 MET A 986 3.294 6.575 23.290 1.00 28.04 H new ATOM 0 HG3 MET A 986 2.028 6.042 24.028 1.00 28.04 H new ATOM 0 HE1 MET A 986 1.491 2.564 22.890 1.00 34.74 H new ATOM 0 HE2 MET A 986 1.106 3.675 23.951 1.00 34.74 H new ATOM 0 HE3 MET A 986 0.664 3.836 22.438 1.00 34.74 H new ATOM 72 N LYS A 987 1.107 6.692 18.829 1.00 32.97 N ATOM 73 CA LYS A 987 0.173 6.949 17.749 1.00 37.02 C ATOM 74 C LYS A 987 -1.242 6.573 18.180 1.00 36.25 C ATOM 75 O LYS A 987 -1.452 5.910 19.192 1.00 27.32 O ATOM 76 CB LYS A 987 0.590 6.155 16.513 1.00 36.89 C ATOM 77 CG LYS A 987 1.988 6.520 16.007 1.00 49.18 C ATOM 78 CD LYS A 987 2.464 5.578 14.907 1.00 55.70 C ATOM 79 CE LYS A 987 3.794 6.040 14.310 1.00 73.91 C ATOM 80 NZ LYS A 987 4.952 5.894 15.250 1.00 70.33 N ATOM 0 H LYS A 987 1.483 5.920 18.786 1.00 32.97 H new ATOM 0 HA LYS A 987 0.183 7.894 17.531 1.00 37.02 H new ATOM 0 HB2 LYS A 987 0.564 5.208 16.720 1.00 36.89 H new ATOM 0 HB3 LYS A 987 -0.055 6.308 15.804 1.00 36.89 H new ATOM 0 HG2 LYS A 987 1.982 7.430 15.671 1.00 49.18 H new ATOM 0 HG3 LYS A 987 2.615 6.495 16.747 1.00 49.18 H new ATOM 0 HD2 LYS A 987 2.563 4.683 15.267 1.00 55.70 H new ATOM 0 HD3 LYS A 987 1.793 5.530 14.208 1.00 55.70 H new ATOM 0 HE2 LYS A 987 3.974 5.530 13.505 1.00 73.91 H new ATOM 0 HE3 LYS A 987 3.716 6.970 14.045 1.00 73.91 H new ATOM 0 HZ1 LYS A 987 5.696 6.177 14.851 1.00 70.33 H new ATOM 0 HZ2 LYS A 987 4.804 6.380 15.981 1.00 70.33 H new ATOM 0 HZ3 LYS A 987 5.044 5.038 15.477 1.00 70.33 H new ATOM 94 N LYS A 988 -2.217 7.035 17.412 1.00 37.12 N ATOM 95 CA LYS A 988 -3.609 6.664 17.600 1.00 34.32 C ATOM 96 C LYS A 988 -4.096 5.984 16.327 1.00 34.81 C ATOM 97 O LYS A 988 -3.658 6.331 15.228 1.00 30.56 O ATOM 98 CB LYS A 988 -4.466 7.902 17.923 1.00 31.90 C ATOM 0 H LYS A 988 -2.087 7.579 16.759 1.00 37.12 H new ATOM 0 HA LYS A 988 -3.690 6.055 18.351 1.00 34.32 H new ATOM 101 N LYS A 989 -4.985 5.004 16.472 1.00 31.81 N ATOM 102 CA LYS A 989 -5.577 4.375 15.303 1.00 24.53 C ATOM 103 C LYS A 989 -6.499 5.368 14.603 1.00 25.43 C ATOM 104 O LYS A 989 -7.075 6.272 15.219 1.00 26.77 O ATOM 105 CB LYS A 989 -6.338 3.103 15.690 1.00 32.17 C ATOM 106 CG LYS A 989 -5.414 1.953 16.082 1.00 32.35 C ATOM 107 CD LYS A 989 -6.049 0.595 15.947 1.00 28.52 C ATOM 108 CE LYS A 989 -4.996 -0.502 16.076 1.00 34.56 C ATOM 109 NZ LYS A 989 -5.564 -1.871 16.059 1.00 49.43 N ATOM 0 H LYS A 989 -5.254 4.695 17.228 1.00 31.81 H new ATOM 0 HA LYS A 989 -4.869 4.116 14.693 1.00 24.53 H new ATOM 0 HB2 LYS A 989 -6.933 3.300 16.430 1.00 32.17 H new ATOM 0 HB3 LYS A 989 -6.894 2.825 14.945 1.00 32.17 H new ATOM 0 HG2 LYS A 989 -4.618 1.985 15.529 1.00 32.35 H new ATOM 0 HG3 LYS A 989 -5.127 2.077 17.000 1.00 32.35 H new ATOM 0 HD2 LYS A 989 -6.729 0.480 16.629 1.00 28.52 H new ATOM 0 HD3 LYS A 989 -6.494 0.524 15.088 1.00 28.52 H new ATOM 0 HE2 LYS A 989 -4.358 -0.415 15.350 1.00 34.56 H new ATOM 0 HE3 LYS A 989 -4.505 -0.373 16.903 1.00 34.56 H new ATOM 0 HZ1 LYS A 989 -4.907 -2.466 16.137 1.00 49.43 H new ATOM 0 HZ2 LYS A 989 -6.132 -1.966 16.738 1.00 49.43 H new ATOM 0 HZ3 LYS A 989 -5.995 -2.004 15.292 1.00 49.43 H new ATOM 123 N GLY A 990 -6.599 5.226 13.302 1.00 20.69 N ATOM 124 CA GLY A 990 -7.413 6.132 12.526 1.00 20.90 C ATOM 125 C GLY A 990 -8.887 5.803 12.687 1.00 20.41 C ATOM 126 O GLY A 990 -9.284 4.888 13.405 1.00 20.91 O ATOM 0 H GLY A 990 -6.204 4.612 12.847 1.00 20.69 H new ATOM 0 HA2 GLY A 990 -7.248 7.045 12.809 1.00 20.90 H new ATOM 0 HA3 GLY A 990 -7.165 6.076 11.590 1.00 20.90 H new ATOM 130 N SER A 991 -9.713 6.598 12.031 1.00 16.88 N ATOM 131 CA SER A 991 -11.141 6.342 11.994 1.00 15.03 C ATOM 132 C SER A 991 -11.482 5.392 10.852 1.00 15.51 C ATOM 133 O SER A 991 -10.778 5.319 9.843 1.00 16.25 O ATOM 134 CB SER A 991 -11.925 7.640 11.791 1.00 12.77 C ATOM 135 OG SER A 991 -11.905 8.476 12.921 1.00 13.64 O ATOM 0 H SER A 991 -9.465 7.298 11.597 1.00 16.88 H new ATOM 0 HA SER A 991 -11.387 5.944 12.844 1.00 15.03 H new ATOM 0 HB2 SER A 991 -11.556 8.120 11.033 1.00 12.77 H new ATOM 0 HB3 SER A 991 -12.845 7.425 11.570 1.00 12.77 H new ATOM 0 HG SER A 991 -12.112 8.031 13.603 1.00 13.64 H new ATOM 141 N VAL A 992 -12.596 4.687 11.014 1.00 11.65 N ATOM 142 CA VAL A 992 -13.265 4.059 9.885 1.00 11.05 C ATOM 143 C VAL A 992 -13.781 5.160 8.971 1.00 12.49 C ATOM 144 O VAL A 992 -14.265 6.197 9.448 1.00 11.41 O ATOM 145 CB VAL A 992 -14.403 3.157 10.390 1.00 8.05 C ATOM 146 CG1 VAL A 992 -15.222 2.622 9.223 1.00 11.72 C ATOM 147 CG2 VAL A 992 -13.854 2.050 11.223 1.00 10.07 C ATOM 0 H VAL A 992 -12.981 4.561 11.773 1.00 11.65 H new ATOM 0 HA VAL A 992 -12.652 3.496 9.387 1.00 11.05 H new ATOM 0 HB VAL A 992 -14.996 3.685 10.947 1.00 8.05 H new ATOM 0 HG11 VAL A 992 -15.934 2.056 9.560 1.00 11.72 H new ATOM 0 HG12 VAL A 992 -15.605 3.364 8.729 1.00 11.72 H new ATOM 0 HG13 VAL A 992 -14.649 2.105 8.635 1.00 11.72 H new ATOM 0 HG21 VAL A 992 -14.581 1.489 11.535 1.00 10.07 H new ATOM 0 HG22 VAL A 992 -13.241 1.518 10.692 1.00 10.07 H new ATOM 0 HG23 VAL A 992 -13.383 2.421 11.985 1.00 10.07 H new ATOM 157 N VAL A 993 -13.663 4.949 7.653 1.00 9.47 N ATOM 158 CA VAL A 993 -14.056 5.926 6.638 1.00 11.58 C ATOM 159 C VAL A 993 -15.032 5.285 5.659 1.00 10.17 C ATOM 160 O VAL A 993 -14.767 4.198 5.140 1.00 10.65 O ATOM 161 CB VAL A 993 -12.820 6.448 5.882 1.00 13.16 C ATOM 162 CG1 VAL A 993 -13.208 7.419 4.761 1.00 14.57 C ATOM 163 CG2 VAL A 993 -11.809 7.085 6.875 1.00 11.97 C ATOM 0 H VAL A 993 -13.347 4.221 7.323 1.00 9.47 H new ATOM 0 HA VAL A 993 -14.487 6.676 7.077 1.00 11.58 H new ATOM 0 HB VAL A 993 -12.386 5.693 5.455 1.00 13.16 H new ATOM 0 HG11 VAL A 993 -12.408 7.727 4.308 1.00 14.57 H new ATOM 0 HG12 VAL A 993 -13.785 6.967 4.126 1.00 14.57 H new ATOM 0 HG13 VAL A 993 -13.677 8.179 5.139 1.00 14.57 H new ATOM 0 HG21 VAL A 993 -11.036 7.409 6.387 1.00 11.97 H new ATOM 0 HG22 VAL A 993 -12.232 7.825 7.338 1.00 11.97 H new ATOM 0 HG23 VAL A 993 -11.526 6.419 7.521 1.00 11.97 H new ATOM 173 N ILE A 994 -16.148 5.967 5.396 1.00 8.73 N ATOM 174 CA ILE A 994 -17.051 5.573 4.314 1.00 9.78 C ATOM 175 C ILE A 994 -16.377 5.890 2.987 1.00 13.15 C ATOM 176 O ILE A 994 -15.976 7.032 2.737 1.00 15.62 O ATOM 177 CB ILE A 994 -18.406 6.285 4.439 1.00 13.01 C ATOM 178 CG1 ILE A 994 -19.112 5.811 5.708 1.00 14.70 C ATOM 179 CG2 ILE A 994 -19.274 6.001 3.197 1.00 14.55 C ATOM 180 CD1 ILE A 994 -20.426 6.527 6.003 1.00 18.00 C ATOM 0 H ILE A 994 -16.400 6.663 5.834 1.00 8.73 H new ATOM 0 HA ILE A 994 -17.231 4.621 4.366 1.00 9.78 H new ATOM 0 HB ILE A 994 -18.263 7.243 4.495 1.00 13.01 H new ATOM 0 HG12 ILE A 994 -19.285 4.859 5.633 1.00 14.70 H new ATOM 0 HG13 ILE A 994 -18.514 5.932 6.462 1.00 14.70 H new ATOM 0 HG21 ILE A 994 -20.126 6.455 3.287 1.00 14.55 H new ATOM 0 HG22 ILE A 994 -18.819 6.323 2.403 1.00 14.55 H new ATOM 0 HG23 ILE A 994 -19.424 5.046 3.118 1.00 14.55 H new ATOM 0 HD11 ILE A 994 -20.812 6.173 6.819 1.00 18.00 H new ATOM 0 HD12 ILE A 994 -20.260 7.477 6.110 1.00 18.00 H new ATOM 0 HD13 ILE A 994 -21.043 6.388 5.268 1.00 18.00 H new ATOM 192 N VAL A 995 -16.200 4.874 2.149 1.00 9.19 N ATOM 193 CA VAL A 995 -15.551 5.067 0.857 1.00 13.00 C ATOM 194 C VAL A 995 -16.466 4.772 -0.314 1.00 11.92 C ATOM 195 O VAL A 995 -16.067 4.975 -1.468 1.00 14.17 O ATOM 196 CB VAL A 995 -14.253 4.246 0.729 1.00 10.06 C ATOM 197 CG1 VAL A 995 -13.220 4.704 1.740 1.00 12.39 C ATOM 198 CG2 VAL A 995 -14.506 2.740 0.806 1.00 11.43 C ATOM 0 H VAL A 995 -16.448 4.066 2.309 1.00 9.19 H new ATOM 0 HA VAL A 995 -15.324 6.010 0.824 1.00 13.00 H new ATOM 0 HB VAL A 995 -13.892 4.412 -0.156 1.00 10.06 H new ATOM 0 HG11 VAL A 995 -12.413 4.175 1.641 1.00 12.39 H new ATOM 0 HG12 VAL A 995 -13.013 5.640 1.590 1.00 12.39 H new ATOM 0 HG13 VAL A 995 -13.572 4.591 2.637 1.00 12.39 H new ATOM 0 HG21 VAL A 995 -13.664 2.266 0.721 1.00 11.43 H new ATOM 0 HG22 VAL A 995 -14.914 2.523 1.659 1.00 11.43 H new ATOM 0 HG23 VAL A 995 -15.100 2.474 0.087 1.00 11.43 H new ATOM 208 N GLY A 996 -17.683 4.323 -0.062 1.00 10.12 N ATOM 209 CA GLY A 996 -18.621 4.066 -1.130 1.00 11.45 C ATOM 210 C GLY A 996 -19.879 3.487 -0.538 1.00 12.48 C ATOM 211 O GLY A 996 -20.099 3.543 0.677 1.00 9.80 O ATOM 0 H GLY A 996 -17.985 4.160 0.727 1.00 10.12 H new ATOM 0 HA2 GLY A 996 -18.821 4.887 -1.607 1.00 11.45 H new ATOM 0 HA3 GLY A 996 -18.237 3.450 -1.774 1.00 11.45 H new ATOM 215 N ARG A 997 -20.703 2.928 -1.408 1.00 9.48 N ATOM 216 CA ARG A 997 -21.982 2.400 -0.965 1.00 12.45 C ATOM 217 C ARG A 997 -22.454 1.349 -1.957 1.00 13.23 C ATOM 218 O ARG A 997 -22.007 1.297 -3.108 1.00 11.55 O ATOM 219 CB ARG A 997 -23.008 3.528 -0.821 1.00 17.06 C ATOM 220 CG ARG A 997 -23.363 4.176 -2.120 1.00 16.42 C ATOM 221 CD ARG A 997 -24.331 5.365 -1.924 1.00 18.53 C ATOM 222 NE ARG A 997 -23.652 6.571 -1.446 1.00 26.29 N ATOM 223 CZ ARG A 997 -23.516 7.715 -2.116 1.00 18.18 C ATOM 224 NH1 ARG A 997 -24.011 7.871 -3.340 1.00 30.39 N ATOM 225 NH2 ARG A 997 -22.887 8.723 -1.547 1.00 25.09 N ATOM 0 H ARG A 997 -20.545 2.844 -2.249 1.00 9.48 H new ATOM 0 HA ARG A 997 -21.881 1.987 -0.093 1.00 12.45 H new ATOM 0 HB2 ARG A 997 -23.814 3.173 -0.413 1.00 17.06 H new ATOM 0 HB3 ARG A 997 -22.657 4.201 -0.217 1.00 17.06 H new ATOM 0 HG2 ARG A 997 -22.555 4.486 -2.558 1.00 16.42 H new ATOM 0 HG3 ARG A 997 -23.771 3.521 -2.707 1.00 16.42 H new ATOM 0 HD2 ARG A 997 -24.774 5.559 -2.765 1.00 18.53 H new ATOM 0 HD3 ARG A 997 -25.022 5.114 -1.291 1.00 18.53 H new ATOM 0 HE ARG A 997 -23.308 6.538 -0.658 1.00 26.29 H new ATOM 0 HH11 ARG A 997 -24.432 7.224 -3.719 1.00 30.39 H new ATOM 0 HH12 ARG A 997 -23.910 8.619 -3.752 1.00 30.39 H new ATOM 0 HH21 ARG A 997 -22.570 8.638 -0.752 1.00 25.09 H new ATOM 0 HH22 ARG A 997 -22.794 9.466 -1.970 1.00 25.09 H new ATOM 239 N ILE A 998 -23.357 0.499 -1.497 1.00 10.51 N ATOM 240 CA ILE A 998 -23.988 -0.475 -2.372 1.00 14.29 C ATOM 241 C ILE A 998 -25.345 0.105 -2.718 1.00 21.52 C ATOM 242 O ILE A 998 -26.199 0.288 -1.841 1.00 19.16 O ATOM 243 CB ILE A 998 -24.104 -1.857 -1.737 1.00 15.32 C ATOM 244 CG1 ILE A 998 -22.730 -2.397 -1.322 1.00 15.38 C ATOM 245 CG2 ILE A 998 -24.812 -2.808 -2.719 1.00 21.43 C ATOM 246 CD1 ILE A 998 -21.716 -2.478 -2.415 1.00 17.98 C ATOM 0 H ILE A 998 -23.620 0.469 -0.679 1.00 10.51 H new ATOM 0 HA ILE A 998 -23.449 -0.622 -3.165 1.00 14.29 H new ATOM 0 HB ILE A 998 -24.633 -1.791 -0.927 1.00 15.32 H new ATOM 0 HG12 ILE A 998 -22.378 -1.833 -0.616 1.00 15.38 H new ATOM 0 HG13 ILE A 998 -22.848 -3.283 -0.945 1.00 15.38 H new ATOM 0 HG21 ILE A 998 -24.888 -3.688 -2.319 1.00 21.43 H new ATOM 0 HG22 ILE A 998 -25.698 -2.467 -2.919 1.00 21.43 H new ATOM 0 HG23 ILE A 998 -24.297 -2.869 -3.539 1.00 21.43 H new ATOM 0 HD11 ILE A 998 -20.884 -2.828 -2.060 1.00 17.98 H new ATOM 0 HD12 ILE A 998 -22.041 -3.065 -3.115 1.00 17.98 H new ATOM 0 HD13 ILE A 998 -21.563 -1.593 -2.781 1.00 17.98 H new ATOM 258 N ASN A 999 -25.534 0.417 -4.001 1.00 21.05 N ATOM 259 CA ASN A 999 -26.772 1.035 -4.459 1.00 24.63 C ATOM 260 C ASN A 999 -27.819 -0.043 -4.697 1.00 27.71 C ATOM 261 O ASN A 999 -27.633 -0.923 -5.548 1.00 22.99 O ATOM 262 CB ASN A 999 -26.518 1.853 -5.726 1.00 23.18 C ATOM 263 CG ASN A 999 -27.693 2.767 -6.084 1.00 42.16 C ATOM 264 OD1 ASN A 999 -28.855 2.387 -5.941 1.00 47.90 O ATOM 265 ND2 ASN A 999 -27.391 3.977 -6.553 1.00 38.36 N ATOM 0 H ASN A 999 -24.954 0.277 -4.621 1.00 21.05 H new ATOM 0 HA ASN A 999 -27.104 1.641 -3.779 1.00 24.63 H new ATOM 0 HB2 ASN A 999 -25.720 2.391 -5.605 1.00 23.18 H new ATOM 0 HB3 ASN A 999 -26.344 1.251 -6.466 1.00 23.18 H new ATOM 0 HD21 ASN A 999 -28.019 4.524 -6.768 1.00 38.36 H new ATOM 0 HD22 ASN A 999 -26.568 4.211 -6.641 1.00 38.36 H new ATOM 272 N LEU A1000 -28.907 0.021 -3.923 1.00 20.34 N ATOM 273 CA LEU A1000 -30.021 -0.913 -4.012 1.00 28.37 C ATOM 274 C LEU A1000 -31.325 -0.205 -4.357 1.00 33.61 C ATOM 275 O LEU A1000 -32.393 -0.807 -4.232 1.00 33.66 O ATOM 276 CB LEU A1000 -30.206 -1.660 -2.685 1.00 19.60 C ATOM 277 CG LEU A1000 -29.039 -2.491 -2.143 1.00 24.92 C ATOM 278 CD1 LEU A1000 -29.399 -3.011 -0.770 1.00 24.88 C ATOM 279 CD2 LEU A1000 -28.709 -3.622 -3.084 1.00 22.89 C ATOM 0 H LEU A1000 -29.015 0.624 -3.320 1.00 20.34 H new ATOM 0 HA LEU A1000 -29.807 -1.540 -4.721 1.00 28.37 H new ATOM 0 HB2 LEU A1000 -30.441 -1.005 -2.009 1.00 19.60 H new ATOM 0 HB3 LEU A1000 -30.968 -2.252 -2.784 1.00 19.60 H new ATOM 0 HG LEU A1000 -28.249 -1.933 -2.073 1.00 24.92 H new ATOM 0 HD11 LEU A1000 -28.664 -3.539 -0.421 1.00 24.88 H new ATOM 0 HD12 LEU A1000 -29.571 -2.264 -0.176 1.00 24.88 H new ATOM 0 HD13 LEU A1000 -30.193 -3.565 -0.831 1.00 24.88 H new ATOM 0 HD21 LEU A1000 -27.969 -4.136 -2.725 1.00 22.89 H new ATOM 0 HD22 LEU A1000 -29.484 -4.197 -3.183 1.00 22.89 H new ATOM 0 HD23 LEU A1000 -28.462 -3.261 -3.950 1.00 22.89 H new ATOM 291 N SER A1001 -31.267 1.064 -4.755 1.00 41.55 N ATOM 292 CA SER A1001 -32.485 1.852 -4.897 1.00 42.26 C ATOM 293 C SER A1001 -33.287 1.412 -6.110 1.00 44.79 C ATOM 294 O SER A1001 -34.506 1.228 -6.028 1.00 59.59 O ATOM 295 CB SER A1001 -32.137 3.338 -4.997 1.00 42.57 C ATOM 296 OG SER A1001 -31.273 3.593 -6.086 1.00 42.57 O ATOM 0 H SER A1001 -30.540 1.482 -4.946 1.00 41.55 H new ATOM 0 HA SER A1001 -33.034 1.707 -4.111 1.00 42.26 H new ATOM 0 HB2 SER A1001 -32.951 3.856 -5.099 1.00 42.57 H new ATOM 0 HB3 SER A1001 -31.716 3.630 -4.173 1.00 42.57 H new ATOM 0 HG SER A1001 -30.532 3.221 -5.949 1.00 42.57 H new ATOM 302 N GLY A1002 -32.625 1.240 -7.245 1.00 40.46 N ATOM 303 CA GLY A1002 -33.314 0.988 -8.496 1.00 48.03 C ATOM 304 C GLY A1002 -33.668 -0.469 -8.675 1.00 43.49 C ATOM 305 O GLY A1002 -33.980 -1.184 -7.716 1.00 45.38 O ATOM 0 H GLY A1002 -31.768 1.266 -7.310 1.00 40.46 H new ATOM 0 HA2 GLY A1002 -34.123 1.521 -8.530 1.00 48.03 H new ATOM 0 HA3 GLY A1002 -32.754 1.275 -9.234 1.00 48.03 H new ATOM 309 N ASP A1003 -33.637 -0.912 -9.929 1.00 35.39 N ATOM 310 CA ASP A1003 -33.788 -2.315 -10.274 1.00 42.28 C ATOM 311 C ASP A1003 -32.452 -2.988 -10.549 1.00 37.41 C ATOM 312 O ASP A1003 -32.429 -4.165 -10.921 1.00 30.84 O ATOM 313 CB ASP A1003 -34.708 -2.460 -11.492 1.00 45.66 C ATOM 314 CG ASP A1003 -34.092 -1.912 -12.762 1.00 60.79 C ATOM 315 OD1 ASP A1003 -34.087 -2.638 -13.783 1.00 64.82 O ATOM 316 OD2 ASP A1003 -33.599 -0.760 -12.736 1.00 64.74 O ATOM 0 H ASP A1003 -33.526 -0.397 -10.609 1.00 35.39 H new ATOM 0 HA ASP A1003 -34.185 -2.760 -9.509 1.00 42.28 H new ATOM 0 HB2 ASP A1003 -34.923 -3.397 -11.620 1.00 45.66 H new ATOM 0 HB3 ASP A1003 -35.543 -1.999 -11.318 1.00 45.66 H new ATOM 321 N THR A1004 -31.340 -2.273 -10.368 1.00 30.13 N ATOM 322 CA THR A1004 -30.006 -2.820 -10.581 1.00 32.20 C ATOM 323 C THR A1004 -29.162 -2.474 -9.365 1.00 30.18 C ATOM 324 O THR A1004 -29.145 -1.321 -8.930 1.00 33.28 O ATOM 325 CB THR A1004 -29.373 -2.263 -11.867 1.00 39.44 C ATOM 326 OG1 THR A1004 -30.197 -2.597 -12.997 1.00 44.75 O ATOM 327 CG2 THR A1004 -27.980 -2.846 -12.090 1.00 37.34 C ATOM 0 H THR A1004 -31.343 -1.451 -10.116 1.00 30.13 H new ATOM 0 HA THR A1004 -30.057 -3.782 -10.691 1.00 32.20 H new ATOM 0 HB THR A1004 -29.302 -1.300 -11.773 1.00 39.44 H new ATOM 0 HG1 THR A1004 -29.850 -2.290 -13.698 1.00 44.75 H new ATOM 0 HG21 THR A1004 -27.603 -2.480 -12.905 1.00 37.34 H new ATOM 0 HG22 THR A1004 -27.410 -2.618 -11.339 1.00 37.34 H new ATOM 0 HG23 THR A1004 -28.041 -3.811 -12.167 1.00 37.34 H new ATOM 335 N ALA A1005 -28.504 -3.471 -8.788 1.00 23.21 N ATOM 336 CA ALA A1005 -27.654 -3.241 -7.627 1.00 20.69 C ATOM 337 C ALA A1005 -26.224 -3.061 -8.103 1.00 16.67 C ATOM 338 O ALA A1005 -25.757 -3.797 -8.975 1.00 19.42 O ATOM 339 CB ALA A1005 -27.729 -4.404 -6.642 1.00 25.48 C ATOM 0 H ALA A1005 -28.536 -4.289 -9.053 1.00 23.21 H new ATOM 0 HA ALA A1005 -27.961 -2.445 -7.165 1.00 20.69 H new ATOM 0 HB1 ALA A1005 -27.154 -4.222 -5.882 1.00 25.48 H new ATOM 0 HB2 ALA A1005 -28.643 -4.511 -6.337 1.00 25.48 H new ATOM 0 HB3 ALA A1005 -27.437 -5.219 -7.080 1.00 25.48 H new ATOM 345 N TYR A1006 -25.537 -2.057 -7.564 1.00 15.63 N ATOM 346 CA TYR A1006 -24.171 -1.851 -8.008 1.00 12.58 C ATOM 347 C TYR A1006 -23.403 -1.124 -6.927 1.00 16.84 C ATOM 348 O TYR A1006 -23.963 -0.325 -6.167 1.00 14.26 O ATOM 349 CB TYR A1006 -24.062 -1.078 -9.325 1.00 15.08 C ATOM 350 CG TYR A1006 -24.618 0.322 -9.313 1.00 15.69 C ATOM 351 CD1 TYR A1006 -23.781 1.423 -9.260 1.00 20.65 C ATOM 352 CD2 TYR A1006 -25.989 0.542 -9.390 1.00 17.36 C ATOM 353 CE1 TYR A1006 -24.302 2.726 -9.257 1.00 25.91 C ATOM 354 CE2 TYR A1006 -26.514 1.824 -9.390 1.00 26.75 C ATOM 355 CZ TYR A1006 -25.672 2.907 -9.319 1.00 30.60 C ATOM 356 OH TYR A1006 -26.210 4.170 -9.311 1.00 33.70 O ATOM 0 H TYR A1006 -25.829 -1.510 -6.968 1.00 15.63 H new ATOM 0 HA TYR A1006 -23.794 -2.729 -8.175 1.00 12.58 H new ATOM 0 HB2 TYR A1006 -23.127 -1.034 -9.578 1.00 15.08 H new ATOM 0 HB3 TYR A1006 -24.519 -1.583 -10.016 1.00 15.08 H new ATOM 0 HD1 TYR A1006 -22.860 1.297 -9.226 1.00 20.65 H new ATOM 0 HD2 TYR A1006 -26.565 -0.186 -9.443 1.00 17.36 H new ATOM 0 HE1 TYR A1006 -23.732 3.460 -9.214 1.00 25.91 H new ATOM 0 HE2 TYR A1006 -27.434 1.951 -9.438 1.00 26.75 H new ATOM 0 HH TYR A1006 -27.047 4.118 -9.354 1.00 33.70 H new ATOM 366 N ALA A1007 -22.112 -1.424 -6.872 1.00 12.37 N ATOM 367 CA ALA A1007 -21.219 -0.762 -5.934 1.00 11.10 C ATOM 368 C ALA A1007 -20.779 0.578 -6.514 1.00 13.39 C ATOM 369 O ALA A1007 -20.475 0.681 -7.701 1.00 12.74 O ATOM 370 CB ALA A1007 -19.990 -1.631 -5.650 1.00 13.37 C ATOM 0 H ALA A1007 -21.732 -2.011 -7.372 1.00 12.37 H new ATOM 0 HA ALA A1007 -21.693 -0.619 -5.100 1.00 11.10 H new ATOM 0 HB1 ALA A1007 -19.408 -1.173 -5.024 1.00 13.37 H new ATOM 0 HB2 ALA A1007 -20.273 -2.477 -5.269 1.00 13.37 H new ATOM 0 HB3 ALA A1007 -19.510 -1.794 -6.477 1.00 13.37 H new ATOM 376 N GLN A1008 -20.772 1.604 -5.674 1.00 8.14 N ATOM 377 CA GLN A1008 -20.335 2.951 -6.033 1.00 11.66 C ATOM 378 C GLN A1008 -19.237 3.384 -5.081 1.00 15.90 C ATOM 379 O GLN A1008 -19.398 3.284 -3.860 1.00 16.07 O ATOM 380 CB GLN A1008 -21.507 3.932 -5.955 1.00 10.95 C ATOM 381 CG GLN A1008 -21.177 5.374 -6.261 1.00 25.15 C ATOM 382 CD GLN A1008 -22.413 6.269 -6.207 1.00 36.08 C ATOM 383 OE1 GLN A1008 -23.536 5.786 -6.013 1.00 33.16 O ATOM 384 NE2 GLN A1008 -22.206 7.581 -6.359 1.00 31.83 N ATOM 0 H GLN A1008 -21.028 1.537 -4.856 1.00 8.14 H new ATOM 0 HA GLN A1008 -19.999 2.947 -6.943 1.00 11.66 H new ATOM 0 HB2 GLN A1008 -22.195 3.637 -6.572 1.00 10.95 H new ATOM 0 HB3 GLN A1008 -21.886 3.887 -5.063 1.00 10.95 H new ATOM 0 HG2 GLN A1008 -20.518 5.696 -5.626 1.00 25.15 H new ATOM 0 HG3 GLN A1008 -20.775 5.433 -7.142 1.00 25.15 H new ATOM 0 HE21 GLN A1008 -21.410 7.878 -6.492 1.00 31.83 H new ATOM 0 HE22 GLN A1008 -22.869 8.128 -6.324 1.00 31.83 H new ATOM 393 N GLN A1009 -18.130 3.858 -5.629 1.00 10.81 N ATOM 394 CA GLN A1009 -17.083 4.440 -4.825 1.00 11.30 C ATOM 395 C GLN A1009 -17.306 5.937 -4.741 1.00 14.68 C ATOM 396 O GLN A1009 -17.593 6.591 -5.753 1.00 11.56 O ATOM 397 CB GLN A1009 -15.700 4.152 -5.403 1.00 14.01 C ATOM 398 CG GLN A1009 -14.600 4.679 -4.521 1.00 13.45 C ATOM 399 CD GLN A1009 -13.212 4.335 -5.044 1.00 14.13 C ATOM 400 OE1 GLN A1009 -12.579 3.328 -4.663 1.00 14.00 O ATOM 401 NE2 GLN A1009 -12.741 5.158 -5.924 1.00 11.82 N ATOM 0 H GLN A1009 -17.969 3.850 -6.474 1.00 10.81 H new ATOM 0 HA GLN A1009 -17.116 4.043 -3.941 1.00 11.30 H new ATOM 0 HB2 GLN A1009 -15.591 3.195 -5.518 1.00 14.01 H new ATOM 0 HB3 GLN A1009 -15.628 4.553 -6.283 1.00 14.01 H new ATOM 0 HG2 GLN A1009 -14.684 5.642 -4.446 1.00 13.45 H new ATOM 0 HG3 GLN A1009 -14.704 4.315 -3.628 1.00 13.45 H new ATOM 0 HE21 GLN A1009 -13.204 5.842 -6.164 1.00 11.82 H new ATOM 0 HE22 GLN A1009 -11.965 5.021 -6.269 1.00 11.82 H new ATOM 410 N THR A1010 -17.171 6.482 -3.535 1.00 13.28 N ATOM 411 CA THR A1010 -17.304 7.917 -3.337 1.00 13.75 C ATOM 412 C THR A1010 -16.021 8.593 -2.883 1.00 14.06 C ATOM 413 O THR A1010 -15.977 9.827 -2.855 1.00 17.14 O ATOM 414 CB THR A1010 -18.406 8.215 -2.309 1.00 15.84 C ATOM 415 OG1 THR A1010 -18.083 7.544 -1.090 1.00 13.67 O ATOM 416 CG2 THR A1010 -19.739 7.733 -2.805 1.00 16.99 C ATOM 0 H THR A1010 -17.002 6.036 -2.819 1.00 13.28 H new ATOM 0 HA THR A1010 -17.532 8.281 -4.207 1.00 13.75 H new ATOM 0 HB THR A1010 -18.460 9.173 -2.167 1.00 15.84 H new ATOM 0 HG1 THR A1010 -17.742 8.091 -0.551 1.00 13.67 H new ATOM 0 HG21 THR A1010 -20.421 7.930 -2.144 1.00 16.99 H new ATOM 0 HG22 THR A1010 -19.957 8.182 -3.637 1.00 16.99 H new ATOM 0 HG23 THR A1010 -19.702 6.775 -2.955 1.00 16.99 H new ATOM 424 N ARG A1011 -14.991 7.831 -2.534 1.00 12.71 N ATOM 425 CA ARG A1011 -13.713 8.381 -2.126 1.00 16.96 C ATOM 426 C ARG A1011 -12.610 7.399 -2.500 1.00 14.51 C ATOM 427 O ARG A1011 -12.741 6.191 -2.258 1.00 12.84 O ATOM 428 CB ARG A1011 -13.691 8.645 -0.613 1.00 15.32 C ATOM 429 CG ARG A1011 -12.512 9.483 -0.180 1.00 23.69 C ATOM 430 CD ARG A1011 -12.485 9.659 1.317 1.00 26.15 C ATOM 431 NE ARG A1011 -13.394 10.686 1.807 1.00 23.54 N ATOM 432 CZ ARG A1011 -13.185 12.001 1.707 1.00 31.04 C ATOM 433 NH1 ARG A1011 -12.111 12.510 1.075 1.00 18.33 N ATOM 434 NH2 ARG A1011 -14.081 12.814 2.229 1.00 20.34 N ATOM 0 H ARG A1011 -15.018 6.971 -2.529 1.00 12.71 H new ATOM 0 HA ARG A1011 -13.571 9.226 -2.580 1.00 16.96 H new ATOM 0 HB2 ARG A1011 -14.512 9.093 -0.355 1.00 15.32 H new ATOM 0 HB3 ARG A1011 -13.670 7.797 -0.142 1.00 15.32 H new ATOM 0 HG2 ARG A1011 -11.689 9.062 -0.473 1.00 23.69 H new ATOM 0 HG3 ARG A1011 -12.555 10.352 -0.609 1.00 23.69 H new ATOM 0 HD2 ARG A1011 -12.709 8.814 1.737 1.00 26.15 H new ATOM 0 HD3 ARG A1011 -11.582 9.881 1.591 1.00 26.15 H new ATOM 0 HE ARG A1011 -14.119 10.426 2.189 1.00 23.54 H new ATOM 0 HH11 ARG A1011 -11.532 11.983 0.719 1.00 18.33 H new ATOM 0 HH12 ARG A1011 -12.004 13.362 1.027 1.00 18.33 H new ATOM 0 HH21 ARG A1011 -14.776 12.493 2.620 1.00 20.34 H new ATOM 0 HH22 ARG A1011 -13.970 13.665 2.178 1.00 20.34 H new ATOM 448 N GLY A1012 -11.513 7.937 -3.083 1.00 14.62 N ATOM 449 CA GLY A1012 -10.348 7.141 -3.423 1.00 16.54 C ATOM 450 C GLY A1012 -9.348 6.971 -2.274 1.00 17.61 C ATOM 451 O GLY A1012 -9.475 7.530 -1.186 1.00 20.02 O ATOM 0 H GLY A1012 -11.441 8.770 -3.284 1.00 14.62 H new ATOM 0 HA2 GLY A1012 -10.642 6.264 -3.715 1.00 16.54 H new ATOM 0 HA3 GLY A1012 -9.895 7.554 -4.175 1.00 16.54 H new ATOM 455 N GLU A1013 -8.319 6.159 -2.535 1.00 20.93 N ATOM 456 CA GLU A1013 -7.454 5.677 -1.457 1.00 21.29 C ATOM 457 C GLU A1013 -6.727 6.816 -0.748 1.00 25.05 C ATOM 458 O GLU A1013 -6.646 6.824 0.488 1.00 23.67 O ATOM 459 CB GLU A1013 -6.445 4.659 -1.998 1.00 25.10 C ATOM 0 H GLU A1013 -8.108 5.879 -3.320 1.00 20.93 H new ATOM 0 HA GLU A1013 -8.025 5.246 -0.802 1.00 21.29 H new ATOM 462 N GLU A1014 -6.198 7.793 -1.501 1.00 20.77 N ATOM 463 CA GLU A1014 -5.477 8.895 -0.865 1.00 24.57 C ATOM 464 C GLU A1014 -6.406 9.704 0.027 1.00 29.20 C ATOM 465 O GLU A1014 -6.047 10.063 1.162 1.00 25.42 O ATOM 466 CB GLU A1014 -4.832 9.804 -1.916 1.00 29.26 C ATOM 0 H GLU A1014 -6.246 7.833 -2.359 1.00 20.77 H new ATOM 0 HA GLU A1014 -4.775 8.513 -0.315 1.00 24.57 H new ATOM 469 N GLY A1015 -7.610 9.997 -0.467 1.00 20.69 N ATOM 470 CA GLY A1015 -8.581 10.701 0.349 1.00 22.30 C ATOM 471 C GLY A1015 -9.047 9.874 1.534 1.00 18.46 C ATOM 472 O GLY A1015 -9.297 10.413 2.617 1.00 18.13 O ATOM 0 H GLY A1015 -7.876 9.798 -1.260 1.00 20.69 H new ATOM 0 HA2 GLY A1015 -8.191 11.530 0.669 1.00 22.30 H new ATOM 0 HA3 GLY A1015 -9.346 10.940 -0.197 1.00 22.30 H new ATOM 476 N CYS A1016 -9.167 8.559 1.357 1.00 15.90 N ATOM 477 CA CYS A1016 -9.506 7.703 2.493 1.00 17.57 C ATOM 478 C CYS A1016 -8.424 7.775 3.568 1.00 21.36 C ATOM 479 O CYS A1016 -8.721 7.938 4.759 1.00 18.01 O ATOM 480 CB CYS A1016 -9.713 6.268 2.030 1.00 17.57 C ATOM 481 SG CYS A1016 -10.056 5.101 3.358 1.00 18.38 S ATOM 0 H CYS A1016 -9.059 8.151 0.608 1.00 15.90 H new ATOM 0 HA CYS A1016 -10.335 8.023 2.882 1.00 17.57 H new ATOM 0 HB2 CYS A1016 -10.448 6.247 1.397 1.00 17.57 H new ATOM 0 HB3 CYS A1016 -8.920 5.976 1.554 1.00 17.57 H new ATOM 0 HG CYS A1016 -10.012 3.981 2.929 1.00 18.38 H new ATOM 487 N GLN A1017 -7.155 7.672 3.166 1.00 21.76 N ATOM 488 CA GLN A1017 -6.062 7.759 4.135 1.00 23.41 C ATOM 489 C GLN A1017 -6.116 9.060 4.929 1.00 20.39 C ATOM 490 O GLN A1017 -6.018 9.049 6.163 1.00 20.52 O ATOM 491 CB GLN A1017 -4.711 7.604 3.426 1.00 22.60 C ATOM 0 H GLN A1017 -6.909 7.553 2.350 1.00 21.76 H new ATOM 0 HA GLN A1017 -6.165 7.032 4.769 1.00 23.41 H new ATOM 494 N GLU A1018 -6.275 10.198 4.242 1.00 18.14 N ATOM 495 CA GLU A1018 -6.309 11.491 4.923 1.00 22.85 C ATOM 496 C GLU A1018 -7.501 11.600 5.871 1.00 23.27 C ATOM 497 O GLU A1018 -7.372 12.098 6.996 1.00 20.55 O ATOM 498 CB GLU A1018 -6.342 12.606 3.878 1.00 22.99 C ATOM 499 CG GLU A1018 -6.696 14.007 4.384 1.00 43.89 C ATOM 500 CD GLU A1018 -5.628 14.621 5.287 1.00 60.91 C ATOM 501 OE1 GLU A1018 -4.983 13.879 6.057 1.00 57.95 O ATOM 502 OE2 GLU A1018 -5.434 15.856 5.227 1.00 62.36 O ATOM 0 H GLU A1018 -6.364 10.239 3.388 1.00 18.14 H new ATOM 0 HA GLU A1018 -5.510 11.577 5.466 1.00 22.85 H new ATOM 0 HB2 GLU A1018 -5.472 12.648 3.452 1.00 22.99 H new ATOM 0 HB3 GLU A1018 -6.982 12.360 3.192 1.00 22.99 H new ATOM 0 HG2 GLU A1018 -6.839 14.591 3.623 1.00 43.89 H new ATOM 0 HG3 GLU A1018 -7.534 13.964 4.870 1.00 43.89 H new ATOM 509 N THR A1019 -8.675 11.153 5.426 1.00 19.75 N ATOM 510 CA THR A1019 -9.889 11.232 6.238 1.00 13.33 C ATOM 511 C THR A1019 -9.817 10.324 7.459 1.00 17.05 C ATOM 512 O THR A1019 -10.366 10.662 8.515 1.00 17.39 O ATOM 513 CB THR A1019 -11.081 10.855 5.351 1.00 18.74 C ATOM 514 OG1 THR A1019 -11.115 11.732 4.230 1.00 20.38 O ATOM 515 CG2 THR A1019 -12.405 10.929 6.088 1.00 18.16 C ATOM 0 H THR A1019 -8.790 10.798 4.651 1.00 19.75 H new ATOM 0 HA THR A1019 -9.990 12.137 6.573 1.00 13.33 H new ATOM 0 HB THR A1019 -10.961 9.934 5.071 1.00 18.74 H new ATOM 0 HG1 THR A1019 -10.602 11.442 3.632 1.00 20.38 H new ATOM 0 HG21 THR A1019 -13.125 10.682 5.486 1.00 18.16 H new ATOM 0 HG22 THR A1019 -12.391 10.318 6.842 1.00 18.16 H new ATOM 0 HG23 THR A1019 -12.547 11.834 6.408 1.00 18.16 H new ATOM 523 N SER A1020 -9.150 9.172 7.342 1.00 16.96 N ATOM 524 CA SER A1020 -8.958 8.307 8.503 1.00 15.10 C ATOM 525 C SER A1020 -8.139 9.011 9.578 1.00 21.41 C ATOM 526 O SER A1020 -8.434 8.896 10.772 1.00 18.82 O ATOM 527 CB SER A1020 -8.271 7.014 8.072 1.00 18.37 C ATOM 528 OG SER A1020 -8.193 6.063 9.133 1.00 22.99 O ATOM 0 H SER A1020 -8.807 8.879 6.610 1.00 16.96 H new ATOM 0 HA SER A1020 -9.827 8.097 8.880 1.00 15.10 H new ATOM 0 HB2 SER A1020 -8.756 6.625 7.327 1.00 18.37 H new ATOM 0 HB3 SER A1020 -7.377 7.215 7.755 1.00 18.37 H new ATOM 0 HG SER A1020 -8.968 5.830 9.358 1.00 22.99 H new ATOM 534 N GLN A1021 -7.101 9.744 9.167 1.00 18.71 N ATOM 535 CA GLN A1021 -6.245 10.448 10.119 1.00 19.45 C ATOM 536 C GLN A1021 -6.988 11.595 10.795 1.00 21.09 C ATOM 537 O GLN A1021 -6.921 11.754 12.015 1.00 20.49 O ATOM 538 CB GLN A1021 -4.994 10.976 9.404 1.00 21.96 C ATOM 0 H GLN A1021 -6.878 9.845 8.343 1.00 18.71 H new ATOM 0 HA GLN A1021 -5.981 9.819 10.809 1.00 19.45 H new ATOM 541 N THR A1022 -7.674 12.429 10.021 1.00 17.93 N ATOM 542 CA THR A1022 -8.366 13.572 10.618 1.00 15.11 C ATOM 543 C THR A1022 -9.685 13.188 11.274 1.00 23.56 C ATOM 544 O THR A1022 -10.129 13.867 12.199 1.00 18.74 O ATOM 545 CB THR A1022 -8.663 14.629 9.565 1.00 22.44 C ATOM 546 OG1 THR A1022 -9.651 14.119 8.663 1.00 19.65 O ATOM 547 CG2 THR A1022 -7.390 15.010 8.778 1.00 28.69 C ATOM 0 H THR A1022 -7.752 12.357 9.168 1.00 17.93 H new ATOM 0 HA THR A1022 -7.767 13.916 11.299 1.00 15.11 H new ATOM 0 HB THR A1022 -8.990 15.427 10.009 1.00 22.44 H new ATOM 0 HG1 THR A1022 -9.664 14.588 7.967 1.00 19.65 H new ATOM 0 HG21 THR A1022 -7.609 15.684 8.115 1.00 28.69 H new ATOM 0 HG22 THR A1022 -6.725 15.362 9.390 1.00 28.69 H new ATOM 0 HG23 THR A1022 -7.036 14.223 8.334 1.00 28.69 H new ATOM 555 N GLY A1023 -10.352 12.151 10.779 1.00 16.16 N ATOM 556 CA GLY A1023 -11.697 11.856 11.231 1.00 13.51 C ATOM 557 C GLY A1023 -12.756 12.800 10.718 1.00 16.29 C ATOM 558 O GLY A1023 -13.919 12.712 11.143 1.00 13.42 O ATOM 0 H GLY A1023 -10.043 11.612 10.185 1.00 16.16 H new ATOM 0 HA2 GLY A1023 -11.926 10.954 10.958 1.00 13.51 H new ATOM 0 HA3 GLY A1023 -11.710 11.871 12.201 1.00 13.51 H new ATOM 562 N ARG A1024 -12.410 13.683 9.794 1.00 15.82 N ATOM 563 CA ARG A1024 -13.355 14.647 9.262 1.00 13.14 C ATOM 564 C ARG A1024 -13.731 14.262 7.841 1.00 16.15 C ATOM 565 O ARG A1024 -12.889 14.270 6.942 1.00 17.01 O ATOM 566 CB ARG A1024 -12.759 16.054 9.320 1.00 20.96 C ATOM 567 CG ARG A1024 -13.719 17.152 8.907 1.00 39.82 C ATOM 568 CD ARG A1024 -13.177 18.529 9.291 1.00 56.41 C ATOM 569 NE ARG A1024 -13.029 18.645 10.740 1.00 65.22 N ATOM 570 CZ ARG A1024 -13.917 19.210 11.558 1.00 61.33 C ATOM 571 NH1 ARG A1024 -13.675 19.239 12.863 1.00 45.96 N ATOM 572 NH2 ARG A1024 -15.037 19.751 11.086 1.00 50.88 N ATOM 0 H ARG A1024 -11.620 13.740 9.458 1.00 15.82 H new ATOM 0 HA ARG A1024 -14.161 14.645 9.801 1.00 13.14 H new ATOM 0 HB2 ARG A1024 -12.454 16.228 10.224 1.00 20.96 H new ATOM 0 HB3 ARG A1024 -11.978 16.088 8.745 1.00 20.96 H new ATOM 0 HG2 ARG A1024 -13.865 17.114 7.949 1.00 39.82 H new ATOM 0 HG3 ARG A1024 -14.580 17.010 9.331 1.00 39.82 H new ATOM 0 HD2 ARG A1024 -12.319 18.674 8.862 1.00 56.41 H new ATOM 0 HD3 ARG A1024 -13.777 19.219 8.967 1.00 56.41 H new ATOM 0 HE ARG A1024 -12.313 18.324 11.093 1.00 65.22 H new ATOM 0 HH11 ARG A1024 -12.951 18.895 13.174 1.00 45.96 H new ATOM 0 HH12 ARG A1024 -14.243 19.602 13.398 1.00 45.96 H new ATOM 0 HH21 ARG A1024 -15.197 19.740 10.241 1.00 50.88 H new ATOM 0 HH22 ARG A1024 -15.601 20.112 11.626 1.00 50.88 H new ATOM 586 N ASP A1025 -14.998 13.928 7.644 1.00 15.94 N ATOM 587 CA ASP A1025 -15.498 13.472 6.352 1.00 17.24 C ATOM 588 C ASP A1025 -16.686 14.342 5.986 1.00 15.63 C ATOM 589 O ASP A1025 -17.757 14.206 6.577 1.00 16.86 O ATOM 590 CB ASP A1025 -15.901 11.996 6.403 1.00 15.92 C ATOM 591 CG ASP A1025 -16.389 11.460 5.052 1.00 23.70 C ATOM 592 OD1 ASP A1025 -16.380 12.202 4.059 1.00 17.32 O ATOM 593 OD2 ASP A1025 -16.808 10.291 4.985 1.00 19.41 O ATOM 0 H ASP A1025 -15.598 13.959 8.259 1.00 15.94 H new ATOM 0 HA ASP A1025 -14.802 13.549 5.681 1.00 17.24 H new ATOM 0 HB2 ASP A1025 -15.142 11.469 6.699 1.00 15.92 H new ATOM 0 HB3 ASP A1025 -16.602 11.880 7.063 1.00 15.92 H new ATOM 598 N LYS A1026 -16.516 15.212 4.990 1.00 16.89 N ATOM 599 CA LYS A1026 -17.605 16.065 4.539 1.00 20.95 C ATOM 600 C LYS A1026 -18.398 15.477 3.378 1.00 24.94 C ATOM 601 O LYS A1026 -19.291 16.153 2.867 1.00 20.97 O ATOM 602 CB LYS A1026 -17.064 17.441 4.116 1.00 21.42 C ATOM 0 H LYS A1026 -15.776 15.321 4.565 1.00 16.89 H new ATOM 0 HA LYS A1026 -18.208 16.145 5.295 1.00 20.95 H new ATOM 605 N ASN A1027 -18.090 14.267 2.924 1.00 17.53 N ATOM 606 CA ASN A1027 -18.791 13.734 1.766 1.00 16.47 C ATOM 607 C ASN A1027 -20.240 13.411 2.103 1.00 16.22 C ATOM 608 O ASN A1027 -20.566 13.044 3.229 1.00 23.48 O ATOM 609 CB ASN A1027 -18.079 12.493 1.250 1.00 18.83 C ATOM 610 CG ASN A1027 -16.931 12.827 0.337 1.00 28.84 C ATOM 611 OD1 ASN A1027 -16.579 14.000 0.162 1.00 23.97 O ATOM 612 ND2 ASN A1027 -16.329 11.801 -0.246 1.00 30.04 N ATOM 0 H ASN A1027 -17.492 13.750 3.264 1.00 17.53 H new ATOM 0 HA ASN A1027 -18.789 14.411 1.072 1.00 16.47 H new ATOM 0 HB2 ASN A1027 -17.751 11.976 2.002 1.00 18.83 H new ATOM 0 HB3 ASN A1027 -18.713 11.933 0.776 1.00 18.83 H new ATOM 0 HD21 ASN A1027 -15.663 11.936 -0.772 1.00 30.04 H new ATOM 0 HD22 ASN A1027 -16.605 11.000 -0.098 1.00 30.04 H new ATOM 619 N GLN A1028 -21.115 13.537 1.102 1.00 16.76 N ATOM 620 CA GLN A1028 -22.510 13.171 1.276 1.00 20.62 C ATOM 621 C GLN A1028 -22.634 11.655 1.348 1.00 18.18 C ATOM 622 O GLN A1028 -21.986 10.923 0.593 1.00 19.13 O ATOM 623 CB GLN A1028 -23.374 13.706 0.132 1.00 23.27 C ATOM 0 H GLN A1028 -20.916 13.832 0.319 1.00 16.76 H new ATOM 0 HA GLN A1028 -22.827 13.568 2.102 1.00 20.62 H new ATOM 626 N VAL A1029 -23.472 11.200 2.271 1.00 18.31 N ATOM 627 CA VAL A1029 -23.756 9.783 2.484 1.00 13.60 C ATOM 628 C VAL A1029 -25.160 9.507 1.977 1.00 13.98 C ATOM 629 O VAL A1029 -26.076 10.307 2.191 1.00 14.60 O ATOM 630 CB VAL A1029 -23.639 9.397 3.976 1.00 17.44 C ATOM 631 CG1 VAL A1029 -24.128 7.967 4.191 1.00 14.88 C ATOM 632 CG2 VAL A1029 -22.201 9.521 4.450 1.00 22.75 C ATOM 0 H VAL A1029 -23.903 11.718 2.805 1.00 18.31 H new ATOM 0 HA VAL A1029 -23.106 9.248 2.002 1.00 13.60 H new ATOM 0 HB VAL A1029 -24.192 10.005 4.491 1.00 17.44 H new ATOM 0 HG11 VAL A1029 -24.050 7.736 5.130 1.00 14.88 H new ATOM 0 HG12 VAL A1029 -25.056 7.898 3.917 1.00 14.88 H new ATOM 0 HG13 VAL A1029 -23.589 7.358 3.663 1.00 14.88 H new ATOM 0 HG21 VAL A1029 -22.147 9.275 5.387 1.00 22.75 H new ATOM 0 HG22 VAL A1029 -21.636 8.930 3.928 1.00 22.75 H new ATOM 0 HG23 VAL A1029 -21.901 10.437 4.338 1.00 22.75 H new ATOM 642 N GLU A1030 -25.333 8.381 1.301 1.00 14.97 N ATOM 643 CA GLU A1030 -26.652 7.959 0.851 1.00 13.00 C ATOM 644 C GLU A1030 -26.774 6.458 1.048 1.00 11.18 C ATOM 645 O GLU A1030 -25.768 5.744 1.093 1.00 13.48 O ATOM 646 CB GLU A1030 -26.890 8.302 -0.623 1.00 12.40 C ATOM 647 CG GLU A1030 -26.923 9.769 -0.924 1.00 21.49 C ATOM 648 CD GLU A1030 -27.208 10.053 -2.395 1.00 27.69 C ATOM 649 OE1 GLU A1030 -26.481 10.852 -3.004 1.00 33.61 O ATOM 650 OE2 GLU A1030 -28.157 9.469 -2.937 1.00 29.10 O ATOM 0 H GLU A1030 -24.696 7.843 1.091 1.00 14.97 H new ATOM 0 HA GLU A1030 -27.320 8.432 1.372 1.00 13.00 H new ATOM 0 HB2 GLU A1030 -26.192 7.890 -1.156 1.00 12.40 H new ATOM 0 HB3 GLU A1030 -27.731 7.907 -0.903 1.00 12.40 H new ATOM 0 HG2 GLU A1030 -27.602 10.194 -0.377 1.00 21.49 H new ATOM 0 HG3 GLU A1030 -26.073 10.166 -0.679 1.00 21.49 H new ATOM 657 N GLY A1031 -28.000 5.991 1.222 1.00 11.10 N ATOM 658 CA GLY A1031 -28.258 4.571 1.116 1.00 17.44 C ATOM 659 C GLY A1031 -28.079 3.836 2.426 1.00 15.93 C ATOM 660 O GLY A1031 -27.718 4.396 3.467 1.00 11.43 O ATOM 0 H GLY A1031 -28.688 6.475 1.400 1.00 11.10 H new ATOM 0 HA2 GLY A1031 -29.164 4.435 0.796 1.00 17.44 H new ATOM 0 HA3 GLY A1031 -27.663 4.188 0.453 1.00 17.44 H new ATOM 664 N GLU A1032 -28.362 2.528 2.351 1.00 10.68 N ATOM 665 CA GLU A1032 -28.436 1.638 3.513 1.00 10.56 C ATOM 666 C GLU A1032 -27.138 0.888 3.793 1.00 9.28 C ATOM 667 O GLU A1032 -26.818 0.624 4.953 1.00 13.85 O ATOM 668 CB GLU A1032 -29.535 0.602 3.284 1.00 13.78 C ATOM 669 CG GLU A1032 -30.922 1.187 2.984 1.00 20.75 C ATOM 670 CD GLU A1032 -31.192 1.417 1.505 1.00 27.94 C ATOM 671 OE1 GLU A1032 -30.250 1.399 0.677 1.00 18.66 O ATOM 672 OE2 GLU A1032 -32.380 1.604 1.169 1.00 34.76 O ATOM 0 H GLU A1032 -28.519 2.128 1.606 1.00 10.68 H new ATOM 0 HA GLU A1032 -28.620 2.205 4.278 1.00 10.56 H new ATOM 0 HB2 GLU A1032 -29.273 0.030 2.546 1.00 13.78 H new ATOM 0 HB3 GLU A1032 -29.599 0.038 4.071 1.00 13.78 H new ATOM 0 HG2 GLU A1032 -31.598 0.588 3.337 1.00 20.75 H new ATOM 0 HG3 GLU A1032 -31.016 2.030 3.455 1.00 20.75 H new ATOM 679 N VAL A1033 -26.383 0.545 2.755 1.00 9.78 N ATOM 680 CA VAL A1033 -25.173 -0.255 2.896 1.00 8.88 C ATOM 681 C VAL A1033 -24.011 0.609 2.460 1.00 10.23 C ATOM 682 O VAL A1033 -23.964 1.060 1.307 1.00 12.39 O ATOM 683 CB VAL A1033 -25.218 -1.541 2.057 1.00 9.96 C ATOM 684 CG1 VAL A1033 -23.962 -2.357 2.314 1.00 12.40 C ATOM 685 CG2 VAL A1033 -26.451 -2.344 2.356 1.00 8.99 C ATOM 0 H VAL A1033 -26.560 0.771 1.944 1.00 9.78 H new ATOM 0 HA VAL A1033 -25.083 -0.536 3.820 1.00 8.88 H new ATOM 0 HB VAL A1033 -25.254 -1.300 1.118 1.00 9.96 H new ATOM 0 HG11 VAL A1033 -23.990 -3.169 1.785 1.00 12.40 H new ATOM 0 HG12 VAL A1033 -23.182 -1.837 2.067 1.00 12.40 H new ATOM 0 HG13 VAL A1033 -23.912 -2.587 3.255 1.00 12.40 H new ATOM 0 HG21 VAL A1033 -26.453 -3.148 1.814 1.00 8.99 H new ATOM 0 HG22 VAL A1033 -26.459 -2.588 3.295 1.00 8.99 H new ATOM 0 HG23 VAL A1033 -27.239 -1.816 2.153 1.00 8.99 H new ATOM 695 N GLN A1034 -23.091 0.852 3.378 1.00 9.86 N ATOM 696 CA GLN A1034 -21.880 1.594 3.093 1.00 9.44 C ATOM 697 C GLN A1034 -20.711 0.642 2.902 1.00 13.15 C ATOM 698 O GLN A1034 -20.632 -0.406 3.546 1.00 9.96 O ATOM 699 CB GLN A1034 -21.540 2.555 4.221 1.00 8.88 C ATOM 700 CG GLN A1034 -22.676 3.473 4.638 1.00 12.35 C ATOM 701 CD GLN A1034 -23.213 4.271 3.478 1.00 11.61 C ATOM 702 OE1 GLN A1034 -22.444 4.836 2.694 1.00 13.10 O ATOM 703 NE2 GLN A1034 -24.535 4.333 3.360 1.00 12.21 N ATOM 0 H GLN A1034 -23.154 0.587 4.194 1.00 9.86 H new ATOM 0 HA GLN A1034 -22.037 2.100 2.281 1.00 9.44 H new ATOM 0 HB2 GLN A1034 -21.256 2.041 4.993 1.00 8.88 H new ATOM 0 HB3 GLN A1034 -20.784 3.099 3.949 1.00 8.88 H new ATOM 0 HG2 GLN A1034 -23.392 2.945 5.025 1.00 12.35 H new ATOM 0 HG3 GLN A1034 -22.364 4.078 5.329 1.00 12.35 H new ATOM 0 HE21 GLN A1034 -25.037 3.925 3.927 1.00 12.21 H new ATOM 0 HE22 GLN A1034 -24.889 4.781 2.717 1.00 12.21 H new ATOM 712 N ILE A1035 -19.786 1.040 2.035 1.00 11.16 N ATOM 713 CA ILE A1035 -18.472 0.409 1.937 1.00 8.63 C ATOM 714 C ILE A1035 -17.519 1.225 2.804 1.00 10.00 C ATOM 715 O ILE A1035 -17.406 2.440 2.627 1.00 11.87 O ATOM 716 CB ILE A1035 -17.977 0.352 0.480 1.00 8.76 C ATOM 717 CG1 ILE A1035 -19.018 -0.337 -0.415 1.00 12.75 C ATOM 718 CG2 ILE A1035 -16.668 -0.372 0.414 1.00 8.92 C ATOM 719 CD1 ILE A1035 -18.725 -0.199 -1.916 1.00 14.07 C ATOM 0 H ILE A1035 -19.903 1.689 1.482 1.00 11.16 H new ATOM 0 HA ILE A1035 -18.518 -0.510 2.244 1.00 8.63 H new ATOM 0 HB ILE A1035 -17.851 1.258 0.157 1.00 8.76 H new ATOM 0 HG12 ILE A1035 -19.058 -1.279 -0.186 1.00 12.75 H new ATOM 0 HG13 ILE A1035 -19.893 0.038 -0.228 1.00 12.75 H new ATOM 0 HG21 ILE A1035 -16.362 -0.404 -0.506 1.00 8.92 H new ATOM 0 HG22 ILE A1035 -16.013 0.094 0.956 1.00 8.92 H new ATOM 0 HG23 ILE A1035 -16.780 -1.275 0.749 1.00 8.92 H new ATOM 0 HD11 ILE A1035 -19.415 -0.653 -2.424 1.00 14.07 H new ATOM 0 HD12 ILE A1035 -18.711 0.740 -2.158 1.00 14.07 H new ATOM 0 HD13 ILE A1035 -17.863 -0.597 -2.116 1.00 14.07 H new ATOM 731 N VAL A1036 -16.848 0.568 3.755 1.00 9.34 N ATOM 732 CA VAL A1036 -16.018 1.271 4.723 1.00 8.70 C ATOM 733 C VAL A1036 -14.608 0.708 4.718 1.00 10.78 C ATOM 734 O VAL A1036 -14.365 -0.463 4.394 1.00 11.47 O ATOM 735 CB VAL A1036 -16.610 1.225 6.147 1.00 8.01 C ATOM 736 CG1 VAL A1036 -17.988 1.893 6.150 1.00 12.33 C ATOM 737 CG2 VAL A1036 -16.737 -0.199 6.649 1.00 10.99 C ATOM 0 H VAL A1036 -16.864 -0.286 3.852 1.00 9.34 H new ATOM 0 HA VAL A1036 -15.992 2.203 4.454 1.00 8.70 H new ATOM 0 HB VAL A1036 -16.007 1.701 6.739 1.00 8.01 H new ATOM 0 HG11 VAL A1036 -18.360 1.864 7.045 1.00 12.33 H new ATOM 0 HG12 VAL A1036 -17.901 2.816 5.866 1.00 12.33 H new ATOM 0 HG13 VAL A1036 -18.577 1.422 5.540 1.00 12.33 H new ATOM 0 HG21 VAL A1036 -17.111 -0.195 7.544 1.00 10.99 H new ATOM 0 HG22 VAL A1036 -17.320 -0.700 6.058 1.00 10.99 H new ATOM 0 HG23 VAL A1036 -15.861 -0.615 6.667 1.00 10.99 H new ATOM 747 N SER A1037 -13.675 1.550 5.126 1.00 11.59 N ATOM 748 CA SER A1037 -12.281 1.165 5.158 1.00 11.92 C ATOM 749 C SER A1037 -11.580 1.739 6.366 1.00 13.66 C ATOM 750 O SER A1037 -11.922 2.815 6.852 1.00 12.44 O ATOM 751 CB SER A1037 -11.545 1.657 3.914 1.00 11.67 C ATOM 752 OG SER A1037 -12.091 1.072 2.768 1.00 16.98 O ATOM 0 H SER A1037 -13.831 2.354 5.390 1.00 11.59 H new ATOM 0 HA SER A1037 -12.264 0.196 5.195 1.00 11.92 H new ATOM 0 HB2 SER A1037 -11.608 2.623 3.854 1.00 11.67 H new ATOM 0 HB3 SER A1037 -10.602 1.438 3.980 1.00 11.67 H new ATOM 0 HG SER A1037 -11.695 1.366 2.088 1.00 16.98 H new ATOM 758 N THR A1038 -10.551 1.029 6.787 1.00 14.19 N ATOM 759 CA THR A1038 -9.506 1.554 7.639 1.00 17.42 C ATOM 760 C THR A1038 -8.227 1.646 6.813 1.00 16.44 C ATOM 761 O THR A1038 -8.230 1.448 5.600 1.00 15.73 O ATOM 762 CB THR A1038 -9.318 0.647 8.843 1.00 14.03 C ATOM 763 OG1 THR A1038 -8.804 -0.605 8.401 1.00 14.73 O ATOM 764 CG2 THR A1038 -10.637 0.417 9.592 1.00 19.81 C ATOM 0 H THR A1038 -10.438 0.202 6.578 1.00 14.19 H new ATOM 0 HA THR A1038 -9.741 2.435 7.970 1.00 17.42 H new ATOM 0 HB THR A1038 -8.699 1.077 9.454 1.00 14.03 H new ATOM 0 HG1 THR A1038 -8.945 -1.189 8.988 1.00 14.73 H new ATOM 0 HG21 THR A1038 -10.480 -0.165 10.352 1.00 19.81 H new ATOM 0 HG22 THR A1038 -10.986 1.267 9.902 1.00 19.81 H new ATOM 0 HG23 THR A1038 -11.280 0.003 8.996 1.00 19.81 H new ATOM 772 N ALA A1039 -7.106 1.878 7.486 1.00 19.95 N ATOM 773 CA ALA A1039 -5.845 1.924 6.757 1.00 28.65 C ATOM 774 C ALA A1039 -5.467 0.565 6.198 1.00 24.65 C ATOM 775 O ALA A1039 -4.714 0.494 5.225 1.00 26.00 O ATOM 776 CB ALA A1039 -4.726 2.415 7.666 1.00 28.63 C ATOM 0 H ALA A1039 -7.052 2.007 8.335 1.00 19.95 H new ATOM 0 HA ALA A1039 -5.965 2.539 6.016 1.00 28.65 H new ATOM 0 HB1 ALA A1039 -3.893 2.441 7.169 1.00 28.63 H new ATOM 0 HB2 ALA A1039 -4.938 3.305 7.988 1.00 28.63 H new ATOM 0 HB3 ALA A1039 -4.633 1.812 8.420 1.00 28.63 H new ATOM 782 N THR A1040 -5.987 -0.509 6.791 1.00 17.81 N ATOM 783 CA THR A1040 -5.537 -1.855 6.514 1.00 21.95 C ATOM 784 C THR A1040 -6.625 -2.798 6.022 1.00 22.16 C ATOM 785 O THR A1040 -6.285 -3.859 5.488 1.00 21.33 O ATOM 786 CB THR A1040 -4.898 -2.464 7.775 1.00 25.02 C ATOM 787 OG1 THR A1040 -5.832 -2.413 8.859 1.00 25.85 O ATOM 788 CG2 THR A1040 -3.650 -1.693 8.169 1.00 26.24 C ATOM 0 H THR A1040 -6.619 -0.467 7.372 1.00 17.81 H new ATOM 0 HA THR A1040 -4.895 -1.766 5.792 1.00 21.95 H new ATOM 0 HB THR A1040 -4.657 -3.384 7.582 1.00 25.02 H new ATOM 0 HG1 THR A1040 -5.483 -2.747 9.546 1.00 25.85 H new ATOM 0 HG21 THR A1040 -3.262 -2.090 8.964 1.00 26.24 H new ATOM 0 HG22 THR A1040 -3.006 -1.726 7.444 1.00 26.24 H new ATOM 0 HG23 THR A1040 -3.884 -0.769 8.351 1.00 26.24 H new ATOM 796 N GLN A1041 -7.906 -2.447 6.154 1.00 15.62 N ATOM 797 CA GLN A1041 -8.990 -3.348 5.778 1.00 15.61 C ATOM 798 C GLN A1041 -10.133 -2.584 5.112 1.00 16.47 C ATOM 799 O GLN A1041 -10.296 -1.373 5.292 1.00 10.75 O ATOM 800 CB GLN A1041 -9.527 -4.103 7.010 1.00 16.00 C ATOM 801 CG GLN A1041 -8.453 -4.840 7.817 1.00 22.35 C ATOM 802 CD GLN A1041 -9.006 -6.015 8.594 1.00 41.52 C ATOM 803 OE1 GLN A1041 -8.972 -7.152 8.124 1.00 53.77 O ATOM 804 NE2 GLN A1041 -9.516 -5.752 9.791 1.00 41.15 N ATOM 0 H GLN A1041 -8.166 -1.687 6.461 1.00 15.62 H new ATOM 0 HA GLN A1041 -8.630 -3.988 5.145 1.00 15.61 H new ATOM 0 HB2 GLN A1041 -9.977 -3.471 7.592 1.00 16.00 H new ATOM 0 HB3 GLN A1041 -10.194 -4.744 6.718 1.00 16.00 H new ATOM 0 HG2 GLN A1041 -7.760 -5.153 7.215 1.00 22.35 H new ATOM 0 HG3 GLN A1041 -8.034 -4.219 8.433 1.00 22.35 H new ATOM 0 HE21 GLN A1041 -9.523 -4.945 10.088 1.00 41.15 H new ATOM 0 HE22 GLN A1041 -9.839 -6.389 10.270 1.00 41.15 H new ATOM 813 N THR A1042 -10.925 -3.309 4.320 1.00 11.75 N ATOM 814 CA THR A1042 -12.156 -2.756 3.760 1.00 10.90 C ATOM 815 C THR A1042 -13.259 -3.795 3.904 1.00 13.00 C ATOM 816 O THR A1042 -13.011 -4.999 3.781 1.00 12.69 O ATOM 817 CB THR A1042 -11.998 -2.305 2.289 1.00 15.50 C ATOM 818 OG1 THR A1042 -13.241 -1.767 1.827 1.00 13.36 O ATOM 819 CG2 THR A1042 -11.588 -3.458 1.373 1.00 18.75 C ATOM 0 H THR A1042 -10.766 -4.124 4.096 1.00 11.75 H new ATOM 0 HA THR A1042 -12.386 -1.953 4.254 1.00 10.90 H new ATOM 0 HB THR A1042 -11.296 -1.636 2.260 1.00 15.50 H new ATOM 0 HG1 THR A1042 -13.647 -1.408 2.469 1.00 13.36 H new ATOM 0 HG21 THR A1042 -11.500 -3.133 0.463 1.00 18.75 H new ATOM 0 HG22 THR A1042 -10.739 -3.821 1.670 1.00 18.75 H new ATOM 0 HG23 THR A1042 -12.264 -4.153 1.404 1.00 18.75 H new ATOM 827 N PHE A1043 -14.451 -3.322 4.251 1.00 10.70 N ATOM 828 CA PHE A1043 -15.597 -4.173 4.543 1.00 9.91 C ATOM 829 C PHE A1043 -16.877 -3.341 4.367 1.00 9.57 C ATOM 830 O PHE A1043 -16.864 -2.307 3.689 1.00 12.04 O ATOM 831 CB PHE A1043 -15.448 -4.824 5.934 1.00 8.91 C ATOM 832 CG PHE A1043 -15.032 -3.875 7.047 1.00 8.71 C ATOM 833 CD1 PHE A1043 -13.726 -3.462 7.166 1.00 12.25 C ATOM 834 CD2 PHE A1043 -15.957 -3.419 7.988 1.00 7.73 C ATOM 835 CE1 PHE A1043 -13.345 -2.595 8.174 1.00 13.37 C ATOM 836 CE2 PHE A1043 -15.573 -2.557 9.005 1.00 9.25 C ATOM 837 CZ PHE A1043 -14.273 -2.154 9.102 1.00 12.44 C ATOM 0 H PHE A1043 -14.619 -2.482 4.325 1.00 10.70 H new ATOM 0 HA PHE A1043 -15.650 -4.917 3.923 1.00 9.91 H new ATOM 0 HB2 PHE A1043 -16.293 -5.234 6.176 1.00 8.91 H new ATOM 0 HB3 PHE A1043 -14.793 -5.537 5.874 1.00 8.91 H new ATOM 0 HD1 PHE A1043 -13.090 -3.770 6.561 1.00 12.25 H new ATOM 0 HD2 PHE A1043 -16.843 -3.697 7.932 1.00 7.73 H new ATOM 0 HE1 PHE A1043 -12.462 -2.307 8.229 1.00 13.37 H new ATOM 0 HE2 PHE A1043 -16.201 -2.254 9.620 1.00 9.25 H new ATOM 0 HZ PHE A1043 -14.011 -1.585 9.789 1.00 12.44 H new ATOM 847 N LEU A1044 -17.991 -3.818 4.917 1.00 9.76 N ATOM 848 CA LEU A1044 -19.290 -3.166 4.755 1.00 6.40 C ATOM 849 C LEU A1044 -19.853 -2.743 6.104 1.00 8.85 C ATOM 850 O LEU A1044 -19.441 -3.224 7.160 1.00 9.08 O ATOM 851 CB LEU A1044 -20.305 -4.077 4.080 1.00 9.14 C ATOM 852 CG LEU A1044 -19.929 -4.563 2.691 1.00 7.06 C ATOM 853 CD1 LEU A1044 -20.961 -5.521 2.136 1.00 8.99 C ATOM 854 CD2 LEU A1044 -19.733 -3.367 1.757 1.00 9.96 C ATOM 0 H LEU A1044 -18.015 -4.531 5.397 1.00 9.76 H new ATOM 0 HA LEU A1044 -19.139 -2.389 4.194 1.00 6.40 H new ATOM 0 HB2 LEU A1044 -20.449 -4.850 4.648 1.00 9.14 H new ATOM 0 HB3 LEU A1044 -21.151 -3.606 4.022 1.00 9.14 H new ATOM 0 HG LEU A1044 -19.094 -5.052 2.756 1.00 7.06 H new ATOM 0 HD11 LEU A1044 -20.691 -5.811 1.251 1.00 8.99 H new ATOM 0 HD12 LEU A1044 -21.034 -6.292 2.720 1.00 8.99 H new ATOM 0 HD13 LEU A1044 -21.821 -5.075 2.081 1.00 8.99 H new ATOM 0 HD21 LEU A1044 -19.493 -3.683 0.872 1.00 9.96 H new ATOM 0 HD22 LEU A1044 -20.557 -2.858 1.706 1.00 9.96 H new ATOM 0 HD23 LEU A1044 -19.024 -2.801 2.100 1.00 9.96 H new ATOM 866 N ALA A1045 -20.814 -1.833 6.042 1.00 7.93 N ATOM 867 CA ALA A1045 -21.569 -1.413 7.211 1.00 10.66 C ATOM 868 C ALA A1045 -22.999 -1.136 6.776 1.00 9.43 C ATOM 869 O ALA A1045 -23.230 -0.665 5.666 1.00 11.66 O ATOM 870 CB ALA A1045 -20.959 -0.181 7.856 1.00 10.74 C ATOM 0 H ALA A1045 -21.048 -1.439 5.314 1.00 7.93 H new ATOM 0 HA ALA A1045 -21.549 -2.118 7.877 1.00 10.66 H new ATOM 0 HB1 ALA A1045 -21.485 0.073 8.631 1.00 10.74 H new ATOM 0 HB2 ALA A1045 -20.050 -0.377 8.132 1.00 10.74 H new ATOM 0 HB3 ALA A1045 -20.952 0.549 7.217 1.00 10.74 H new ATOM 876 N THR A1046 -23.959 -1.447 7.648 1.00 8.57 N ATOM 877 CA THR A1046 -25.375 -1.465 7.299 1.00 6.97 C ATOM 878 C THR A1046 -26.190 -0.667 8.306 1.00 9.89 C ATOM 879 O THR A1046 -26.080 -0.903 9.513 1.00 8.26 O ATOM 880 CB THR A1046 -25.893 -2.903 7.263 1.00 9.58 C ATOM 881 OG1 THR A1046 -25.160 -3.666 6.303 1.00 11.28 O ATOM 882 CG2 THR A1046 -27.372 -2.964 6.916 1.00 7.92 C ATOM 0 H THR A1046 -23.802 -1.655 8.467 1.00 8.57 H new ATOM 0 HA THR A1046 -25.471 -1.062 6.422 1.00 6.97 H new ATOM 0 HB THR A1046 -25.771 -3.274 8.151 1.00 9.58 H new ATOM 0 HG1 THR A1046 -24.484 -4.004 6.670 1.00 11.28 H new ATOM 0 HG21 THR A1046 -27.664 -3.889 6.903 1.00 7.92 H new ATOM 0 HG22 THR A1046 -27.881 -2.474 7.581 1.00 7.92 H new ATOM 0 HG23 THR A1046 -27.516 -2.567 6.043 1.00 7.92 H new ATOM 890 N SER A1047 -27.024 0.261 7.826 1.00 8.11 N ATOM 891 CA ASER A1047 -27.863 1.054 8.720 0.43 9.93 C ATOM 892 CA BSER A1047 -27.860 1.057 8.722 0.57 9.92 C ATOM 893 C SER A1047 -29.166 0.321 8.995 1.00 10.30 C ATOM 894 O SER A1047 -29.876 -0.069 8.061 1.00 11.67 O ATOM 895 CB ASER A1047 -28.176 2.430 8.137 0.43 10.81 C ATOM 896 CB BSER A1047 -28.141 2.444 8.135 0.57 10.80 C ATOM 897 OG ASER A1047 -29.128 3.078 8.961 0.43 8.30 O ATOM 898 OG BSER A1047 -26.975 3.259 8.150 0.57 13.18 O ATOM 0 H ASER A1047 -27.116 0.443 6.991 0.43 8.11 H new ATOM 0 H BSER A1047 -27.118 0.442 6.991 0.57 8.11 H new ATOM 0 HA ASER A1047 -27.368 1.180 9.545 0.43 9.92 H new ATOM 0 HA BSER A1047 -27.382 1.182 9.557 0.57 9.92 H new ATOM 0 HB2ASER A1047 -27.366 2.961 8.080 0.43 10.80 H new ATOM 0 HB2BSER A1047 -28.462 2.353 7.224 0.57 10.80 H new ATOM 0 HB3ASER A1047 -28.521 2.340 7.235 0.43 10.80 H new ATOM 0 HB3BSER A1047 -28.846 2.875 8.643 0.57 10.80 H new ATOM 0 HG ASER A1047 -29.275 3.850 8.666 0.43 13.18 H new ATOM 0 HG BSER A1047 -26.688 3.353 7.366 0.57 13.18 H new ATOM 909 N ILE A1048 -29.468 0.127 10.276 1.00 8.97 N ATOM 910 CA ILE A1048 -30.697 -0.519 10.723 1.00 7.92 C ATOM 911 C ILE A1048 -31.181 0.284 11.921 1.00 11.75 C ATOM 912 O ILE A1048 -30.433 0.456 12.884 1.00 9.37 O ATOM 913 CB ILE A1048 -30.480 -1.992 11.118 1.00 7.02 C ATOM 914 CG1 ILE A1048 -29.933 -2.815 9.936 1.00 9.06 C ATOM 915 CG2 ILE A1048 -31.784 -2.599 11.633 1.00 11.24 C ATOM 916 CD1 ILE A1048 -29.363 -4.187 10.288 1.00 11.44 C ATOM 0 H ILE A1048 -28.954 0.372 10.921 1.00 8.97 H new ATOM 0 HA ILE A1048 -31.347 -0.533 10.003 1.00 7.92 H new ATOM 0 HB ILE A1048 -29.819 -2.018 11.828 1.00 7.02 H new ATOM 0 HG12 ILE A1048 -30.647 -2.936 9.291 1.00 9.06 H new ATOM 0 HG13 ILE A1048 -29.239 -2.298 9.498 1.00 9.06 H new ATOM 0 HG21 ILE A1048 -31.635 -3.526 11.878 1.00 11.24 H new ATOM 0 HG22 ILE A1048 -32.087 -2.104 12.410 1.00 11.24 H new ATOM 0 HG23 ILE A1048 -32.459 -2.553 10.938 1.00 11.24 H new ATOM 0 HD11 ILE A1048 -29.047 -4.623 9.481 1.00 11.44 H new ATOM 0 HD12 ILE A1048 -28.625 -4.082 10.909 1.00 11.44 H new ATOM 0 HD13 ILE A1048 -30.055 -4.729 10.698 1.00 11.44 H new ATOM 928 N ASN A1049 -32.424 0.766 11.862 1.00 10.63 N ATOM 929 CA ASN A1049 -33.036 1.574 12.926 1.00 14.28 C ATOM 930 C ASN A1049 -32.132 2.705 13.412 1.00 12.26 C ATOM 931 O ASN A1049 -31.987 2.930 14.608 1.00 15.52 O ATOM 932 CB ASN A1049 -33.462 0.712 14.105 1.00 14.82 C ATOM 933 CG ASN A1049 -34.716 -0.078 13.810 1.00 24.38 C ATOM 934 OD1 ASN A1049 -35.379 0.132 12.789 1.00 30.35 O ATOM 935 ND2 ASN A1049 -35.045 -0.986 14.694 1.00 31.30 N ATOM 0 H ASN A1049 -32.946 0.631 11.192 1.00 10.63 H new ATOM 0 HA ASN A1049 -33.822 1.980 12.528 1.00 14.28 H new ATOM 0 HB2 ASN A1049 -32.744 0.102 14.334 1.00 14.82 H new ATOM 0 HB3 ASN A1049 -33.612 1.277 14.879 1.00 14.82 H new ATOM 0 HD21 ASN A1049 -35.749 -1.466 14.576 1.00 31.30 H new ATOM 0 HD22 ASN A1049 -34.557 -1.102 15.393 1.00 31.30 H new ATOM 942 N GLY A1050 -31.560 3.447 12.474 1.00 9.90 N ATOM 943 CA GLY A1050 -30.838 4.668 12.800 1.00 11.85 C ATOM 944 C GLY A1050 -29.447 4.461 13.361 1.00 12.39 C ATOM 945 O GLY A1050 -28.857 5.410 13.904 1.00 11.86 O ATOM 0 H GLY A1050 -31.579 3.259 11.635 1.00 9.90 H new ATOM 0 HA2 GLY A1050 -30.771 5.211 11.999 1.00 11.85 H new ATOM 0 HA3 GLY A1050 -31.359 5.174 13.443 1.00 11.85 H new ATOM 949 N VAL A1051 -28.923 3.243 13.277 1.00 10.29 N ATOM 950 CA VAL A1051 -27.568 2.900 13.699 1.00 8.76 C ATOM 951 C VAL A1051 -26.851 2.290 12.506 1.00 10.81 C ATOM 952 O VAL A1051 -27.398 1.397 11.852 1.00 9.07 O ATOM 953 CB VAL A1051 -27.570 1.894 14.863 1.00 9.24 C ATOM 954 CG1 VAL A1051 -26.140 1.497 15.259 1.00 11.33 C ATOM 955 CG2 VAL A1051 -28.306 2.475 16.065 1.00 12.13 C ATOM 0 H VAL A1051 -29.359 2.572 12.963 1.00 10.29 H new ATOM 0 HA VAL A1051 -27.120 3.703 14.010 1.00 8.76 H new ATOM 0 HB VAL A1051 -28.032 1.095 14.565 1.00 9.24 H new ATOM 0 HG11 VAL A1051 -26.171 0.864 15.993 1.00 11.33 H new ATOM 0 HG12 VAL A1051 -25.695 1.089 14.500 1.00 11.33 H new ATOM 0 HG13 VAL A1051 -25.649 2.287 15.535 1.00 11.33 H new ATOM 0 HG21 VAL A1051 -28.300 1.831 16.791 1.00 12.13 H new ATOM 0 HG22 VAL A1051 -27.865 3.290 16.352 1.00 12.13 H new ATOM 0 HG23 VAL A1051 -29.223 2.674 15.818 1.00 12.13 H new ATOM 965 N LEU A1052 -25.622 2.735 12.261 1.00 6.47 N ATOM 966 CA LEU A1052 -24.749 2.121 11.274 1.00 7.79 C ATOM 967 C LEU A1052 -23.951 1.027 11.974 1.00 9.79 C ATOM 968 O LEU A1052 -23.088 1.317 12.817 1.00 8.45 O ATOM 969 CB LEU A1052 -23.837 3.166 10.651 1.00 9.28 C ATOM 970 CG LEU A1052 -22.931 2.660 9.517 1.00 8.57 C ATOM 971 CD1 LEU A1052 -23.733 2.216 8.319 1.00 11.04 C ATOM 972 CD2 LEU A1052 -21.927 3.750 9.131 1.00 9.44 C ATOM 0 H LEU A1052 -25.271 3.407 12.667 1.00 6.47 H new ATOM 0 HA LEU A1052 -25.267 1.732 10.552 1.00 7.79 H new ATOM 0 HB2 LEU A1052 -24.386 3.889 10.308 1.00 9.28 H new ATOM 0 HB3 LEU A1052 -23.277 3.542 11.348 1.00 9.28 H new ATOM 0 HG LEU A1052 -22.447 1.883 9.838 1.00 8.57 H new ATOM 0 HD11 LEU A1052 -23.132 1.904 7.625 1.00 11.04 H new ATOM 0 HD12 LEU A1052 -24.330 1.496 8.577 1.00 11.04 H new ATOM 0 HD13 LEU A1052 -24.254 2.962 7.984 1.00 11.04 H new ATOM 0 HD21 LEU A1052 -21.357 3.427 8.415 1.00 9.44 H new ATOM 0 HD22 LEU A1052 -22.405 4.539 8.832 1.00 9.44 H new ATOM 0 HD23 LEU A1052 -21.382 3.975 9.901 1.00 9.44 H new ATOM 984 N TRP A1053 -24.238 -0.218 11.614 1.00 6.89 N ATOM 985 CA TRP A1053 -23.676 -1.411 12.236 1.00 7.00 C ATOM 986 C TRP A1053 -22.561 -2.014 11.382 1.00 7.60 C ATOM 987 O TRP A1053 -22.656 -2.049 10.153 1.00 8.12 O ATOM 988 CB TRP A1053 -24.750 -2.472 12.415 1.00 9.00 C ATOM 989 CG TRP A1053 -25.933 -2.074 13.190 1.00 5.08 C ATOM 990 CD1 TRP A1053 -27.144 -1.669 12.701 1.00 7.44 C ATOM 991 CD2 TRP A1053 -26.062 -2.085 14.622 1.00 7.15 C ATOM 992 NE1 TRP A1053 -28.014 -1.417 13.735 1.00 9.25 N ATOM 993 CE2 TRP A1053 -27.379 -1.668 14.927 1.00 7.53 C ATOM 994 CE3 TRP A1053 -25.193 -2.389 15.665 1.00 9.05 C ATOM 995 CZ2 TRP A1053 -27.838 -1.555 16.244 1.00 11.37 C ATOM 996 CZ3 TRP A1053 -25.643 -2.258 16.964 1.00 10.94 C ATOM 997 CH2 TRP A1053 -26.951 -1.864 17.242 1.00 12.39 C ATOM 0 H TRP A1053 -24.786 -0.398 10.976 1.00 6.89 H new ATOM 0 HA TRP A1053 -23.317 -1.139 13.095 1.00 7.00 H new ATOM 0 HB2 TRP A1053 -25.044 -2.760 11.536 1.00 9.00 H new ATOM 0 HB3 TRP A1053 -24.348 -3.243 12.846 1.00 9.00 H new ATOM 0 HD1 TRP A1053 -27.349 -1.577 11.799 1.00 7.44 H new ATOM 0 HE1 TRP A1053 -28.826 -1.146 13.649 1.00 9.25 H new ATOM 0 HE3 TRP A1053 -24.325 -2.675 15.491 1.00 9.05 H new ATOM 0 HZ2 TRP A1053 -28.707 -1.282 16.434 1.00 11.37 H new ATOM 0 HZ3 TRP A1053 -25.062 -2.436 17.668 1.00 10.94 H new ATOM 0 HH2 TRP A1053 -27.229 -1.809 18.128 1.00 12.39 H new ATOM 1008 N THR A1054 -21.550 -2.582 12.037 1.00 8.26 N ATOM 1009 CA THR A1054 -20.588 -3.402 11.314 1.00 6.12 C ATOM 1010 C THR A1054 -19.977 -4.427 12.267 1.00 10.02 C ATOM 1011 O THR A1054 -20.414 -4.587 13.418 1.00 8.01 O ATOM 1012 CB THR A1054 -19.533 -2.526 10.620 1.00 7.08 C ATOM 1013 OG1 THR A1054 -18.741 -3.323 9.730 1.00 9.92 O ATOM 1014 CG2 THR A1054 -18.624 -1.828 11.611 1.00 9.96 C ATOM 0 H THR A1054 -21.407 -2.506 12.882 1.00 8.26 H new ATOM 0 HA THR A1054 -21.038 -3.890 10.607 1.00 6.12 H new ATOM 0 HB THR A1054 -20.011 -1.844 10.123 1.00 7.08 H new ATOM 0 HG1 THR A1054 -18.945 -3.143 8.935 1.00 9.92 H new ATOM 0 HG21 THR A1054 -17.976 -1.288 11.132 1.00 9.96 H new ATOM 0 HG22 THR A1054 -19.154 -1.258 12.190 1.00 9.96 H new ATOM 0 HG23 THR A1054 -18.159 -2.490 12.146 1.00 9.96 H new ATOM 1022 N VAL A1055 -18.975 -5.147 11.773 1.00 7.50 N ATOM 1023 CA VAL A1055 -18.298 -6.188 12.552 1.00 7.31 C ATOM 1024 C VAL A1055 -17.143 -5.599 13.345 1.00 9.78 C ATOM 1025 O VAL A1055 -16.403 -4.736 12.865 1.00 11.62 O ATOM 1026 CB VAL A1055 -17.812 -7.336 11.637 1.00 7.46 C ATOM 1027 CG1 VAL A1055 -18.977 -8.224 11.273 1.00 9.08 C ATOM 1028 CG2 VAL A1055 -17.092 -6.805 10.431 1.00 10.07 C ATOM 0 H VAL A1055 -18.666 -5.048 10.977 1.00 7.50 H new ATOM 0 HA VAL A1055 -18.937 -6.559 13.180 1.00 7.31 H new ATOM 0 HB VAL A1055 -17.166 -7.876 12.119 1.00 7.46 H new ATOM 0 HG11 VAL A1055 -18.669 -8.943 10.699 1.00 9.08 H new ATOM 0 HG12 VAL A1055 -19.364 -8.598 12.080 1.00 9.08 H new ATOM 0 HG13 VAL A1055 -19.648 -7.702 10.805 1.00 9.08 H new ATOM 0 HG21 VAL A1055 -16.799 -7.545 9.877 1.00 10.07 H new ATOM 0 HG22 VAL A1055 -17.690 -6.236 9.921 1.00 10.07 H new ATOM 0 HG23 VAL A1055 -16.321 -6.290 10.715 1.00 10.07 H new ATOM 1038 N HIS A1056 -16.986 -6.090 14.579 1.00 10.05 N ATOM 1039 CA HIS A1056 -15.849 -5.711 15.410 1.00 7.92 C ATOM 1040 C HIS A1056 -14.522 -6.164 14.808 1.00 10.72 C ATOM 1041 O HIS A1056 -13.510 -5.469 14.960 1.00 10.27 O ATOM 1042 CB HIS A1056 -16.039 -6.281 16.815 1.00 12.65 C ATOM 1043 CG HIS A1056 -14.908 -6.000 17.739 1.00 13.29 C ATOM 1044 ND1 HIS A1056 -13.829 -6.850 17.886 1.00 14.81 N ATOM 1045 CD2 HIS A1056 -14.661 -4.932 18.530 1.00 14.06 C ATOM 1046 CE1 HIS A1056 -12.973 -6.318 18.741 1.00 19.99 C ATOM 1047 NE2 HIS A1056 -13.461 -5.164 19.157 1.00 15.19 N ATOM 0 H HIS A1056 -17.530 -6.644 14.950 1.00 10.05 H new ATOM 0 HA HIS A1056 -15.813 -4.743 15.457 1.00 7.92 H new ATOM 0 HB2 HIS A1056 -16.853 -5.916 17.195 1.00 12.65 H new ATOM 0 HB3 HIS A1056 -16.161 -7.241 16.751 1.00 12.65 H new ATOM 0 HD2 HIS A1056 -15.201 -4.182 18.631 1.00 14.06 H new ATOM 0 HE1 HIS A1056 -12.164 -6.693 19.005 1.00 19.99 H new ATOM 0 HE2 HIS A1056 -13.088 -4.641 19.729 1.00 15.19 H new ATOM 1055 N HIS A1057 -14.495 -7.305 14.118 1.00 10.00 N ATOM 1056 CA HIS A1057 -13.227 -7.779 13.563 1.00 9.52 C ATOM 1057 C HIS A1057 -12.742 -6.912 12.410 1.00 11.37 C ATOM 1058 O HIS A1057 -11.560 -6.988 12.051 1.00 12.48 O ATOM 1059 CB HIS A1057 -13.339 -9.268 13.175 1.00 15.89 C ATOM 1060 CG HIS A1057 -14.042 -9.542 11.873 1.00 11.80 C ATOM 1061 ND1 HIS A1057 -15.328 -10.027 11.811 1.00 11.95 N ATOM 1062 CD2 HIS A1057 -13.592 -9.512 10.597 1.00 14.08 C ATOM 1063 CE1 HIS A1057 -15.657 -10.243 10.549 1.00 10.72 C ATOM 1064 NE2 HIS A1057 -14.622 -9.927 9.790 1.00 12.22 N ATOM 0 H HIS A1057 -15.177 -7.806 13.963 1.00 10.00 H new ATOM 0 HA HIS A1057 -12.548 -7.701 14.252 1.00 9.52 H new ATOM 0 HB2 HIS A1057 -12.446 -9.643 13.128 1.00 15.89 H new ATOM 0 HB3 HIS A1057 -13.807 -9.737 13.883 1.00 15.89 H new ATOM 0 HD1 HIS A1057 -15.839 -10.168 12.488 1.00 11.95 H new ATOM 0 HD2 HIS A1057 -12.742 -9.257 10.318 1.00 14.08 H new ATOM 0 HE1 HIS A1057 -16.476 -10.563 10.247 1.00 10.72 H new ATOM 1072 N GLY A1058 -13.584 -6.017 11.899 1.00 10.63 N ATOM 1073 CA GLY A1058 -13.157 -5.021 10.945 1.00 11.21 C ATOM 1074 C GLY A1058 -12.885 -3.676 11.605 1.00 11.58 C ATOM 1075 O GLY A1058 -11.850 -3.051 11.359 1.00 11.93 O ATOM 0 H GLY A1058 -14.419 -5.977 12.101 1.00 10.63 H new ATOM 0 HA2 GLY A1058 -12.354 -5.328 10.496 1.00 11.21 H new ATOM 0 HA3 GLY A1058 -13.839 -4.914 10.264 1.00 11.21 H new ATOM 1079 N ALA A1059 -13.797 -3.220 12.461 1.00 9.48 N ATOM 1080 CA ALA A1059 -13.721 -1.853 12.984 1.00 11.77 C ATOM 1081 C ALA A1059 -12.981 -1.722 14.308 1.00 11.48 C ATOM 1082 O ALA A1059 -12.566 -0.604 14.673 1.00 11.81 O ATOM 1083 CB ALA A1059 -15.131 -1.297 13.176 1.00 13.19 C ATOM 0 H ALA A1059 -14.463 -3.680 12.751 1.00 9.48 H new ATOM 0 HA ALA A1059 -13.216 -1.354 12.324 1.00 11.77 H new ATOM 0 HB1 ALA A1059 -15.078 -0.392 13.522 1.00 13.19 H new ATOM 0 HB2 ALA A1059 -15.595 -1.290 12.324 1.00 13.19 H new ATOM 0 HB3 ALA A1059 -15.616 -1.855 13.804 1.00 13.19 H new ATOM 1089 N GLY A1060 -12.837 -2.803 15.063 1.00 11.08 N ATOM 1090 CA GLY A1060 -12.317 -2.664 16.421 1.00 15.04 C ATOM 1091 C GLY A1060 -13.153 -1.680 17.214 1.00 12.53 C ATOM 1092 O GLY A1060 -14.382 -1.649 17.104 1.00 11.88 O ATOM 0 H GLY A1060 -13.028 -3.606 14.820 1.00 11.08 H new ATOM 0 HA2 GLY A1060 -12.318 -3.527 16.863 1.00 15.04 H new ATOM 0 HA3 GLY A1060 -11.396 -2.362 16.391 1.00 15.04 H new ATOM 1096 N THR A1061 -12.479 -0.842 18.015 1.00 10.89 N ATOM 1097 CA THR A1061 -13.129 0.211 18.784 1.00 10.17 C ATOM 1098 C THR A1061 -13.040 1.574 18.096 1.00 11.32 C ATOM 1099 O THR A1061 -13.226 2.613 18.743 1.00 11.26 O ATOM 1100 CB THR A1061 -12.508 0.287 20.182 1.00 13.80 C ATOM 1101 OG1 THR A1061 -11.105 0.555 20.054 1.00 11.68 O ATOM 1102 CG2 THR A1061 -12.724 -1.029 20.933 1.00 14.78 C ATOM 0 H THR A1061 -11.626 -0.875 18.123 1.00 10.89 H new ATOM 0 HA THR A1061 -14.070 -0.015 18.851 1.00 10.17 H new ATOM 0 HB THR A1061 -12.933 0.999 20.686 1.00 13.80 H new ATOM 0 HG1 THR A1061 -10.955 1.360 20.240 1.00 11.68 H new ATOM 0 HG21 THR A1061 -12.326 -0.967 21.816 1.00 14.78 H new ATOM 0 HG22 THR A1061 -13.675 -1.201 21.019 1.00 14.78 H new ATOM 0 HG23 THR A1061 -12.308 -1.754 20.441 1.00 14.78 H new ATOM 1110 N ARG A1062 -12.805 1.593 16.790 1.00 9.35 N ATOM 1111 CA ARG A1062 -12.486 2.836 16.119 1.00 9.79 C ATOM 1112 C ARG A1062 -13.686 3.768 16.035 1.00 8.72 C ATOM 1113 O ARG A1062 -14.843 3.355 15.915 1.00 11.11 O ATOM 1114 CB ARG A1062 -11.980 2.584 14.699 1.00 10.18 C ATOM 1115 CG ARG A1062 -10.578 2.016 14.572 1.00 12.34 C ATOM 1116 CD ARG A1062 -10.352 1.656 13.118 1.00 12.42 C ATOM 1117 NE ARG A1062 -9.014 1.132 12.831 1.00 16.65 N ATOM 1118 CZ ARG A1062 -8.657 -0.127 12.973 1.00 19.55 C ATOM 1119 NH1 ARG A1062 -9.522 -1.020 13.436 1.00 29.58 N ATOM 1120 NH2 ARG A1062 -7.416 -0.490 12.648 1.00 25.65 N ATOM 0 H ARG A1062 -12.826 0.900 16.281 1.00 9.35 H new ATOM 0 HA ARG A1062 -11.793 3.256 16.652 1.00 9.79 H new ATOM 0 HB2 ARG A1062 -12.595 1.975 14.261 1.00 10.18 H new ATOM 0 HB3 ARG A1062 -12.014 3.422 14.211 1.00 10.18 H new ATOM 0 HG2 ARG A1062 -9.921 2.665 14.867 1.00 12.34 H new ATOM 0 HG3 ARG A1062 -10.476 1.233 15.135 1.00 12.34 H new ATOM 0 HD2 ARG A1062 -11.011 0.996 12.852 1.00 12.42 H new ATOM 0 HD3 ARG A1062 -10.504 2.444 12.573 1.00 12.42 H new ATOM 0 HE ARG A1062 -8.420 1.686 12.550 1.00 16.65 H new ATOM 0 HH11 ARG A1062 -10.320 -0.777 13.645 1.00 29.58 H new ATOM 0 HH12 ARG A1062 -9.285 -1.842 13.527 1.00 29.58 H new ATOM 0 HH21 ARG A1062 -6.861 0.095 12.350 1.00 25.65 H new ATOM 0 HH22 ARG A1062 -7.171 -1.310 12.736 1.00 25.65 H new ATOM 1134 N THR A1063 -13.376 5.056 16.058 1.00 9.01 N ATOM 1135 CA THR A1063 -14.322 6.071 15.665 1.00 9.81 C ATOM 1136 C THR A1063 -14.603 5.974 14.180 1.00 9.09 C ATOM 1137 O THR A1063 -13.861 5.340 13.425 1.00 9.73 O ATOM 1138 CB THR A1063 -13.774 7.461 15.958 1.00 12.18 C ATOM 1139 OG1 THR A1063 -12.478 7.599 15.371 1.00 13.95 O ATOM 1140 CG2 THR A1063 -13.675 7.702 17.442 1.00 13.46 C ATOM 0 H THR A1063 -12.610 5.361 16.303 1.00 9.01 H new ATOM 0 HA THR A1063 -15.137 5.929 16.171 1.00 9.81 H new ATOM 0 HB THR A1063 -14.383 8.114 15.578 1.00 12.18 H new ATOM 0 HG1 THR A1063 -11.959 7.965 15.921 1.00 13.95 H new ATOM 0 HG21 THR A1063 -13.324 8.592 17.603 1.00 13.46 H new ATOM 0 HG22 THR A1063 -14.555 7.625 17.842 1.00 13.46 H new ATOM 0 HG23 THR A1063 -13.082 7.045 17.838 1.00 13.46 H new ATOM 1148 N ILE A1064 -15.688 6.633 13.758 1.00 10.08 N ATOM 1149 CA ILE A1064 -16.011 6.776 12.343 1.00 9.55 C ATOM 1150 C ILE A1064 -15.865 8.251 11.975 1.00 10.67 C ATOM 1151 O ILE A1064 -16.170 9.138 12.785 1.00 12.99 O ATOM 1152 CB ILE A1064 -17.417 6.236 12.011 1.00 11.60 C ATOM 1153 CG1 ILE A1064 -17.576 6.094 10.492 1.00 12.23 C ATOM 1154 CG2 ILE A1064 -18.531 7.099 12.587 1.00 11.52 C ATOM 1155 CD1 ILE A1064 -18.842 5.375 10.087 1.00 10.50 C ATOM 0 H ILE A1064 -16.253 7.007 14.287 1.00 10.08 H new ATOM 0 HA ILE A1064 -15.398 6.242 11.813 1.00 9.55 H new ATOM 0 HB ILE A1064 -17.498 5.365 12.430 1.00 11.60 H new ATOM 0 HG12 ILE A1064 -17.570 6.976 10.089 1.00 12.23 H new ATOM 0 HG13 ILE A1064 -16.811 5.614 10.137 1.00 12.23 H new ATOM 0 HG21 ILE A1064 -19.391 6.718 12.351 1.00 11.52 H new ATOM 0 HG22 ILE A1064 -18.447 7.133 13.553 1.00 11.52 H new ATOM 0 HG23 ILE A1064 -18.465 7.997 12.225 1.00 11.52 H new ATOM 0 HD11 ILE A1064 -18.886 5.317 9.120 1.00 10.50 H new ATOM 0 HD12 ILE A1064 -18.842 4.482 10.465 1.00 10.50 H new ATOM 0 HD13 ILE A1064 -19.612 5.865 10.416 1.00 10.50 H new ATOM 1167 N ALA A1065 -15.370 8.506 10.769 1.00 11.84 N ATOM 1168 CA ALA A1065 -15.189 9.875 10.305 1.00 15.45 C ATOM 1169 C ALA A1065 -16.538 10.475 9.967 1.00 12.68 C ATOM 1170 O ALA A1065 -17.415 9.791 9.431 1.00 9.98 O ATOM 1171 CB ALA A1065 -14.273 9.917 9.078 1.00 13.94 C ATOM 0 H ALA A1065 -15.133 7.901 10.205 1.00 11.84 H new ATOM 0 HA ALA A1065 -14.772 10.392 11.012 1.00 15.45 H new ATOM 0 HB1 ALA A1065 -14.166 10.836 8.785 1.00 13.94 H new ATOM 0 HB2 ALA A1065 -13.406 9.548 9.308 1.00 13.94 H new ATOM 0 HB3 ALA A1065 -14.667 9.394 8.362 1.00 13.94 H new ATOM 1177 N SER A1066 -16.726 11.749 10.307 1.00 12.78 N ATOM 1178 CA SER A1066 -18.000 12.417 10.071 1.00 10.80 C ATOM 1179 C SER A1066 -17.736 13.882 9.771 1.00 12.77 C ATOM 1180 O SER A1066 -16.613 14.371 9.955 1.00 12.98 O ATOM 1181 CB SER A1066 -18.948 12.291 11.276 1.00 16.87 C ATOM 1182 OG SER A1066 -18.608 13.259 12.241 1.00 23.58 O ATOM 0 H SER A1066 -16.126 12.243 10.676 1.00 12.78 H new ATOM 0 HA SER A1066 -18.435 11.989 9.317 1.00 10.80 H new ATOM 0 HB2 SER A1066 -19.867 12.412 10.991 1.00 16.87 H new ATOM 0 HB3 SER A1066 -18.885 11.402 11.659 1.00 16.87 H new ATOM 0 HG SER A1066 -17.778 13.247 12.369 1.00 23.58 H new ATOM 1188 N PRO A1067 -18.756 14.626 9.336 1.00 12.14 N ATOM 1189 CA PRO A1067 -18.512 16.028 8.945 1.00 14.26 C ATOM 1190 C PRO A1067 -17.980 16.877 10.059 1.00 18.70 C ATOM 1191 O PRO A1067 -17.292 17.868 9.793 1.00 20.65 O ATOM 1192 CB PRO A1067 -19.889 16.513 8.475 1.00 17.39 C ATOM 1193 CG PRO A1067 -20.556 15.274 7.979 1.00 20.28 C ATOM 1194 CD PRO A1067 -20.118 14.199 8.980 1.00 18.46 C ATOM 0 HA PRO A1067 -17.825 16.093 8.264 1.00 14.26 H new ATOM 0 HB2 PRO A1067 -20.389 16.920 9.200 1.00 17.39 H new ATOM 0 HB3 PRO A1067 -19.811 17.180 7.775 1.00 17.39 H new ATOM 0 HG2 PRO A1067 -21.521 15.372 7.961 1.00 20.28 H new ATOM 0 HG3 PRO A1067 -20.276 15.056 7.076 1.00 20.28 H new ATOM 0 HD2 PRO A1067 -20.701 14.169 9.755 1.00 18.46 H new ATOM 0 HD3 PRO A1067 -20.126 13.313 8.585 1.00 18.46 H new ATOM 1202 N LYS A1068 -18.244 16.507 11.305 1.00 15.07 N ATOM 1203 CA LYS A1068 -17.832 17.293 12.458 1.00 22.73 C ATOM 1204 C LYS A1068 -16.681 16.659 13.217 1.00 25.28 C ATOM 1205 O LYS A1068 -16.386 17.075 14.343 1.00 26.68 O ATOM 1206 CB LYS A1068 -19.039 17.501 13.378 1.00 23.40 C ATOM 1207 CG LYS A1068 -20.126 18.357 12.719 1.00 21.43 C ATOM 1208 CD LYS A1068 -21.509 18.072 13.296 1.00 32.45 C ATOM 1209 CE LYS A1068 -21.790 18.923 14.497 1.00 30.26 C ATOM 1210 NZ LYS A1068 -23.142 18.712 15.011 1.00 20.02 N ATOM 0 H LYS A1068 -18.670 15.788 11.506 1.00 15.07 H new ATOM 0 HA LYS A1068 -17.507 18.149 12.137 1.00 22.73 H new ATOM 0 HB2 LYS A1068 -19.411 16.639 13.621 1.00 23.40 H new ATOM 0 HB3 LYS A1068 -18.748 17.926 14.200 1.00 23.40 H new ATOM 0 HG2 LYS A1068 -19.914 19.296 12.839 1.00 21.43 H new ATOM 0 HG3 LYS A1068 -20.134 18.188 11.764 1.00 21.43 H new ATOM 0 HD2 LYS A1068 -22.183 18.235 12.618 1.00 32.45 H new ATOM 0 HD3 LYS A1068 -21.572 17.135 13.540 1.00 32.45 H new ATOM 0 HE2 LYS A1068 -21.145 18.722 15.193 1.00 30.26 H new ATOM 0 HE3 LYS A1068 -21.675 19.858 14.265 1.00 30.26 H new ATOM 0 HZ1 LYS A1068 -23.274 19.231 15.722 1.00 20.02 H new ATOM 0 HZ2 LYS A1068 -23.735 18.917 14.380 1.00 20.02 H new ATOM 0 HZ3 LYS A1068 -23.241 17.859 15.245 1.00 20.02 H new ATOM 1224 N GLY A1069 -15.998 15.692 12.612 1.00 15.61 N ATOM 1225 CA GLY A1069 -14.909 15.013 13.254 1.00 15.30 C ATOM 1226 C GLY A1069 -15.295 13.612 13.695 1.00 20.92 C ATOM 1227 O GLY A1069 -16.416 13.140 13.466 1.00 15.91 O ATOM 0 H GLY A1069 -16.163 15.418 11.814 1.00 15.61 H new ATOM 0 HA2 GLY A1069 -14.155 14.964 12.645 1.00 15.30 H new ATOM 0 HA3 GLY A1069 -14.618 15.525 14.025 1.00 15.30 H new ATOM 1231 N PRO A1070 -14.370 12.932 14.363 1.00 14.84 N ATOM 1232 CA PRO A1070 -14.597 11.519 14.704 1.00 15.66 C ATOM 1233 C PRO A1070 -15.782 11.345 15.632 1.00 20.79 C ATOM 1234 O PRO A1070 -16.015 12.146 16.544 1.00 17.79 O ATOM 1235 CB PRO A1070 -13.275 11.082 15.361 1.00 18.02 C ATOM 1236 CG PRO A1070 -12.511 12.321 15.630 1.00 21.38 C ATOM 1237 CD PRO A1070 -13.003 13.379 14.687 1.00 15.07 C ATOM 0 HA PRO A1070 -14.819 10.980 13.929 1.00 15.66 H new ATOM 0 HB2 PRO A1070 -13.442 10.594 16.183 1.00 18.02 H new ATOM 0 HB3 PRO A1070 -12.778 10.490 14.776 1.00 18.02 H new ATOM 0 HG2 PRO A1070 -12.633 12.603 16.550 1.00 21.38 H new ATOM 0 HG3 PRO A1070 -11.561 12.169 15.504 1.00 21.38 H new ATOM 0 HD2 PRO A1070 -13.001 14.256 15.101 1.00 15.07 H new ATOM 0 HD3 PRO A1070 -12.448 13.438 13.894 1.00 15.07 H new ATOM 1245 N VAL A1071 -16.549 10.288 15.370 1.00 13.75 N ATOM 1246 CA VAL A1071 -17.711 9.909 16.172 1.00 16.61 C ATOM 1247 C VAL A1071 -17.409 8.581 16.869 1.00 13.81 C ATOM 1248 O VAL A1071 -17.063 7.588 16.215 1.00 12.35 O ATOM 1249 CB VAL A1071 -18.972 9.819 15.286 1.00 18.19 C ATOM 1250 CG1 VAL A1071 -20.161 9.231 16.032 1.00 16.32 C ATOM 1251 CG2 VAL A1071 -19.351 11.211 14.743 1.00 17.93 C ATOM 0 H VAL A1071 -16.405 9.760 14.707 1.00 13.75 H new ATOM 0 HA VAL A1071 -17.888 10.583 16.846 1.00 16.61 H new ATOM 0 HB VAL A1071 -18.755 9.225 14.551 1.00 18.19 H new ATOM 0 HG11 VAL A1071 -20.928 9.193 15.440 1.00 16.32 H new ATOM 0 HG12 VAL A1071 -19.943 8.336 16.335 1.00 16.32 H new ATOM 0 HG13 VAL A1071 -20.371 9.789 16.797 1.00 16.32 H new ATOM 0 HG21 VAL A1071 -20.144 11.138 14.189 1.00 17.93 H new ATOM 0 HG22 VAL A1071 -19.529 11.810 15.485 1.00 17.93 H new ATOM 0 HG23 VAL A1071 -18.618 11.562 14.213 1.00 17.93 H new ATOM 1261 N THR A1072 -17.563 8.565 18.196 1.00 11.95 N ATOM 1262 CA THR A1072 -17.345 7.373 19.011 1.00 11.20 C ATOM 1263 C THR A1072 -18.437 6.336 18.791 1.00 12.67 C ATOM 1264 O THR A1072 -19.616 6.665 18.646 1.00 14.98 O ATOM 1265 CB THR A1072 -17.317 7.771 20.492 1.00 15.56 C ATOM 1266 OG1 THR A1072 -16.252 8.690 20.681 1.00 15.66 O ATOM 1267 CG2 THR A1072 -17.077 6.556 21.404 1.00 19.21 C ATOM 0 H THR A1072 -17.800 9.256 18.650 1.00 11.95 H new ATOM 0 HA THR A1072 -16.498 6.979 18.749 1.00 11.20 H new ATOM 0 HB THR A1072 -18.175 8.159 20.723 1.00 15.56 H new ATOM 0 HG1 THR A1072 -15.525 8.271 20.729 1.00 15.66 H new ATOM 0 HG21 THR A1072 -17.065 6.844 22.330 1.00 19.21 H new ATOM 0 HG22 THR A1072 -17.788 5.909 21.276 1.00 19.21 H new ATOM 0 HG23 THR A1072 -16.226 6.148 21.182 1.00 19.21 H new ATOM 1275 N GLN A1073 -18.050 5.070 18.816 1.00 10.61 N ATOM 1276 CA GLN A1073 -19.044 4.009 18.774 1.00 10.05 C ATOM 1277 C GLN A1073 -20.069 4.205 19.871 1.00 11.74 C ATOM 1278 O GLN A1073 -19.727 4.558 21.001 1.00 12.25 O ATOM 1279 CB GLN A1073 -18.394 2.654 18.944 1.00 9.82 C ATOM 1280 CG GLN A1073 -17.588 2.260 17.710 1.00 8.34 C ATOM 1281 CD GLN A1073 -16.849 0.959 17.851 1.00 10.69 C ATOM 1282 OE1 GLN A1073 -17.091 0.173 18.769 1.00 11.47 O ATOM 1283 NE2 GLN A1073 -15.957 0.701 16.908 1.00 8.62 N ATOM 0 H GLN A1073 -17.232 4.806 18.856 1.00 10.61 H new ATOM 0 HA GLN A1073 -19.480 4.046 17.908 1.00 10.05 H new ATOM 0 HB2 GLN A1073 -17.813 2.668 19.720 1.00 9.82 H new ATOM 0 HB3 GLN A1073 -19.076 1.986 19.113 1.00 9.82 H new ATOM 0 HG2 GLN A1073 -18.187 2.200 16.950 1.00 8.34 H new ATOM 0 HG3 GLN A1073 -16.950 2.964 17.514 1.00 8.34 H new ATOM 0 HE21 GLN A1073 -15.815 1.274 16.283 1.00 8.62 H new ATOM 0 HE22 GLN A1073 -15.520 -0.039 16.921 1.00 8.62 H new ATOM 1292 N MET A1074 -21.321 3.947 19.534 1.00 11.20 N ATOM 1293 CA MET A1074 -22.413 3.957 20.493 1.00 13.92 C ATOM 1294 C MET A1074 -22.708 2.561 21.017 1.00 17.51 C ATOM 1295 O MET A1074 -23.294 2.423 22.096 1.00 12.11 O ATOM 1296 CB MET A1074 -23.620 4.588 19.783 1.00 16.90 C ATOM 1297 CG MET A1074 -25.022 4.306 20.217 1.00 29.13 C ATOM 1298 SD MET A1074 -26.070 4.877 18.840 1.00 13.86 S ATOM 1299 CE MET A1074 -25.805 6.646 18.976 1.00 12.84 C ATOM 0 H MET A1074 -21.565 3.758 18.731 1.00 11.20 H new ATOM 0 HA MET A1074 -22.182 4.477 21.279 1.00 13.92 H new ATOM 0 HB2 MET A1074 -23.500 5.550 19.826 1.00 16.90 H new ATOM 0 HB3 MET A1074 -23.559 4.336 18.848 1.00 16.90 H new ATOM 0 HG2 MET A1074 -25.153 3.360 20.388 1.00 29.13 H new ATOM 0 HG3 MET A1074 -25.236 4.775 21.039 1.00 29.13 H new ATOM 0 HE1 MET A1074 -26.515 7.116 18.512 1.00 12.84 H new ATOM 0 HE2 MET A1074 -25.805 6.902 19.911 1.00 12.84 H new ATOM 0 HE3 MET A1074 -24.951 6.877 18.578 1.00 12.84 H new ATOM 1309 N TYR A1075 -22.278 1.542 20.277 1.00 11.00 N ATOM 1310 CA TYR A1075 -22.353 0.143 20.662 1.00 10.78 C ATOM 1311 C TYR A1075 -21.043 -0.538 20.328 1.00 12.43 C ATOM 1312 O TYR A1075 -20.518 -0.366 19.229 1.00 8.99 O ATOM 1313 CB TYR A1075 -23.471 -0.587 19.935 1.00 9.84 C ATOM 1314 CG TYR A1075 -24.820 0.069 20.094 1.00 14.17 C ATOM 1315 CD1 TYR A1075 -25.532 -0.044 21.284 1.00 14.15 C ATOM 1316 CD2 TYR A1075 -25.380 0.802 19.053 1.00 10.55 C ATOM 1317 CE1 TYR A1075 -26.774 0.548 21.434 1.00 14.50 C ATOM 1318 CE2 TYR A1075 -26.606 1.398 19.195 1.00 10.10 C ATOM 1319 CZ TYR A1075 -27.307 1.260 20.396 1.00 10.61 C ATOM 1320 OH TYR A1075 -28.541 1.841 20.546 1.00 12.59 O ATOM 0 H TYR A1075 -21.920 1.656 19.504 1.00 11.00 H new ATOM 0 HA TYR A1075 -22.533 0.111 21.615 1.00 10.78 H new ATOM 0 HB2 TYR A1075 -23.254 -0.639 18.991 1.00 9.84 H new ATOM 0 HB3 TYR A1075 -23.521 -1.498 20.265 1.00 9.84 H new ATOM 0 HD1 TYR A1075 -25.167 -0.526 21.991 1.00 14.15 H new ATOM 0 HD2 TYR A1075 -24.917 0.889 18.251 1.00 10.55 H new ATOM 0 HE1 TYR A1075 -27.241 0.462 22.233 1.00 14.50 H new ATOM 0 HE2 TYR A1075 -26.970 1.892 18.496 1.00 10.10 H new ATOM 0 HH TYR A1075 -28.748 2.246 19.840 1.00 12.59 H new ATOM 1330 N THR A1076 -20.550 -1.344 21.267 1.00 9.31 N ATOM 1331 CA THR A1076 -19.362 -2.170 21.079 1.00 12.66 C ATOM 1332 C THR A1076 -19.601 -3.488 21.789 1.00 14.27 C ATOM 1333 O THR A1076 -19.878 -3.488 22.997 1.00 11.41 O ATOM 1334 CB THR A1076 -18.118 -1.497 21.658 1.00 12.53 C ATOM 1335 OG1 THR A1076 -18.075 -0.126 21.257 1.00 8.84 O ATOM 1336 CG2 THR A1076 -16.879 -2.221 21.216 1.00 13.05 C ATOM 0 H THR A1076 -20.905 -1.426 22.046 1.00 9.31 H new ATOM 0 HA THR A1076 -19.209 -2.303 20.131 1.00 12.66 H new ATOM 0 HB THR A1076 -18.160 -1.534 22.626 1.00 12.53 H new ATOM 0 HG1 THR A1076 -17.776 -0.072 20.474 1.00 8.84 H new ATOM 0 HG21 THR A1076 -16.098 -1.784 21.590 1.00 13.05 H new ATOM 0 HG22 THR A1076 -16.914 -3.140 21.524 1.00 13.05 H new ATOM 0 HG23 THR A1076 -16.824 -2.207 20.248 1.00 13.05 H new ATOM 1344 N ASN A1077 -19.545 -4.601 21.054 1.00 12.70 N ATOM 1345 CA ASN A1077 -19.769 -5.912 21.674 1.00 11.84 C ATOM 1346 C ASN A1077 -18.887 -6.954 20.989 1.00 10.75 C ATOM 1347 O ASN A1077 -19.300 -7.583 20.009 1.00 13.29 O ATOM 1348 CB ASN A1077 -21.230 -6.337 21.648 1.00 13.28 C ATOM 1349 CG ASN A1077 -21.449 -7.566 22.517 1.00 13.85 C ATOM 1350 OD1 ASN A1077 -20.533 -8.358 22.672 1.00 14.98 O ATOM 1351 ND2 ASN A1077 -22.621 -7.700 23.126 1.00 17.92 N ATOM 0 H ASN A1077 -19.382 -4.621 20.210 1.00 12.70 H new ATOM 0 HA ASN A1077 -19.527 -5.840 22.610 1.00 11.84 H new ATOM 0 HB2 ASN A1077 -21.789 -5.609 21.963 1.00 13.28 H new ATOM 0 HB3 ASN A1077 -21.500 -6.528 20.736 1.00 13.28 H new ATOM 0 HD21 ASN A1077 -22.758 -8.365 23.654 1.00 17.92 H new ATOM 0 HD22 ASN A1077 -23.244 -7.122 22.993 1.00 17.92 H new ATOM 1358 N VAL A1078 -17.721 -7.202 21.579 1.00 8.91 N ATOM 1359 CA VAL A1078 -16.746 -8.122 21.019 1.00 9.88 C ATOM 1360 C VAL A1078 -17.280 -9.539 21.058 1.00 16.98 C ATOM 1361 O VAL A1078 -16.936 -10.368 20.202 1.00 13.22 O ATOM 1362 CB VAL A1078 -15.407 -7.982 21.770 1.00 11.99 C ATOM 1363 CG1 VAL A1078 -15.533 -8.426 23.195 1.00 14.30 C ATOM 1364 CG2 VAL A1078 -14.312 -8.767 21.097 1.00 17.73 C ATOM 0 H VAL A1078 -17.475 -6.838 22.318 1.00 8.91 H new ATOM 0 HA VAL A1078 -16.585 -7.903 20.088 1.00 9.88 H new ATOM 0 HB VAL A1078 -15.173 -7.041 21.752 1.00 11.99 H new ATOM 0 HG11 VAL A1078 -14.678 -8.327 23.642 1.00 14.30 H new ATOM 0 HG12 VAL A1078 -16.198 -7.882 23.646 1.00 14.30 H new ATOM 0 HG13 VAL A1078 -15.805 -9.357 23.221 1.00 14.30 H new ATOM 0 HG21 VAL A1078 -13.485 -8.659 21.592 1.00 17.73 H new ATOM 0 HG22 VAL A1078 -14.554 -9.706 21.074 1.00 17.73 H new ATOM 0 HG23 VAL A1078 -14.191 -8.442 20.191 1.00 17.73 H new ATOM 1374 N ASP A1079 -18.154 -9.830 22.016 1.00 13.22 N ATOM 1375 CA ASP A1079 -18.708 -11.173 22.122 1.00 17.27 C ATOM 1376 C ASP A1079 -19.621 -11.487 20.947 1.00 19.19 C ATOM 1377 O ASP A1079 -19.782 -12.654 20.580 1.00 16.07 O ATOM 1378 CB ASP A1079 -19.471 -11.314 23.436 1.00 12.63 C ATOM 1379 CG ASP A1079 -18.564 -11.261 24.655 1.00 16.18 C ATOM 1380 OD1 ASP A1079 -17.422 -11.756 24.574 1.00 15.65 O ATOM 1381 OD2 ASP A1079 -19.027 -10.757 25.697 1.00 20.02 O ATOM 0 H ASP A1079 -18.436 -9.272 22.607 1.00 13.22 H new ATOM 0 HA ASP A1079 -17.975 -11.808 22.106 1.00 17.27 H new ATOM 0 HB2 ASP A1079 -20.131 -10.606 23.499 1.00 12.63 H new ATOM 0 HB3 ASP A1079 -19.955 -12.155 23.435 1.00 12.63 H new ATOM 1386 N LYS A1080 -20.239 -10.467 20.367 1.00 12.48 N ATOM 1387 CA LYS A1080 -21.129 -10.638 19.226 1.00 15.03 C ATOM 1388 C LYS A1080 -20.458 -10.286 17.906 1.00 12.45 C ATOM 1389 O LYS A1080 -21.086 -10.426 16.856 1.00 12.18 O ATOM 1390 CB LYS A1080 -22.379 -9.769 19.406 1.00 12.51 C ATOM 1391 CG LYS A1080 -23.280 -10.135 20.593 1.00 20.61 C ATOM 1392 CD LYS A1080 -24.553 -9.269 20.593 1.00 18.41 C ATOM 1393 CE LYS A1080 -25.511 -9.627 21.724 1.00 28.99 C ATOM 1394 NZ LYS A1080 -26.718 -8.737 21.669 1.00 25.21 N ATOM 0 H LYS A1080 -20.154 -9.651 20.625 1.00 12.48 H new ATOM 0 HA LYS A1080 -21.371 -11.577 19.192 1.00 15.03 H new ATOM 0 HB2 LYS A1080 -22.099 -8.846 19.507 1.00 12.51 H new ATOM 0 HB3 LYS A1080 -22.907 -9.818 18.594 1.00 12.51 H new ATOM 0 HG2 LYS A1080 -23.521 -11.073 20.545 1.00 20.61 H new ATOM 0 HG3 LYS A1080 -22.796 -10.008 21.424 1.00 20.61 H new ATOM 0 HD2 LYS A1080 -24.304 -8.335 20.669 1.00 18.41 H new ATOM 0 HD3 LYS A1080 -25.009 -9.372 19.743 1.00 18.41 H new ATOM 0 HE2 LYS A1080 -25.780 -10.556 21.649 1.00 28.99 H new ATOM 0 HE3 LYS A1080 -25.065 -9.529 22.580 1.00 28.99 H new ATOM 0 HZ1 LYS A1080 -27.225 -8.879 22.387 1.00 25.21 H new ATOM 0 HZ2 LYS A1080 -26.459 -7.886 21.653 1.00 25.21 H new ATOM 0 HZ3 LYS A1080 -27.187 -8.918 20.935 1.00 25.21 H new ATOM 1408 N ASP A1081 -19.202 -9.834 17.943 1.00 10.39 N ATOM 1409 CA ASP A1081 -18.490 -9.310 16.778 1.00 11.92 C ATOM 1410 C ASP A1081 -19.253 -8.150 16.158 1.00 11.32 C ATOM 1411 O ASP A1081 -19.307 -8.027 14.935 1.00 9.62 O ATOM 1412 CB ASP A1081 -18.233 -10.390 15.731 1.00 13.28 C ATOM 1413 CG ASP A1081 -17.178 -9.997 14.714 1.00 15.75 C ATOM 1414 OD1 ASP A1081 -16.441 -9.026 14.954 1.00 13.45 O ATOM 1415 OD2 ASP A1081 -17.073 -10.681 13.656 1.00 13.87 O ATOM 0 H ASP A1081 -18.732 -9.824 18.663 1.00 10.39 H new ATOM 0 HA ASP A1081 -17.629 -8.992 17.090 1.00 11.92 H new ATOM 0 HB2 ASP A1081 -17.956 -11.205 16.177 1.00 13.28 H new ATOM 0 HB3 ASP A1081 -19.062 -10.588 15.268 1.00 13.28 H new ATOM 1420 N LEU A1082 -19.793 -7.260 17.006 1.00 9.27 N ATOM 1421 CA LEU A1082 -20.705 -6.201 16.576 1.00 9.78 C ATOM 1422 C LEU A1082 -20.294 -4.841 17.124 1.00 12.48 C ATOM 1423 O LEU A1082 -20.018 -4.713 18.320 1.00 11.70 O ATOM 1424 CB LEU A1082 -22.113 -6.513 17.070 1.00 11.74 C ATOM 1425 CG LEU A1082 -23.278 -5.588 16.744 1.00 7.80 C ATOM 1426 CD1 LEU A1082 -23.570 -5.645 15.234 1.00 8.95 C ATOM 1427 CD2 LEU A1082 -24.514 -5.973 17.553 1.00 12.55 C ATOM 0 H LEU A1082 -19.635 -7.259 17.851 1.00 9.27 H new ATOM 0 HA LEU A1082 -20.675 -6.166 15.607 1.00 9.78 H new ATOM 0 HB2 LEU A1082 -22.345 -7.392 16.733 1.00 11.74 H new ATOM 0 HB3 LEU A1082 -22.067 -6.583 18.036 1.00 11.74 H new ATOM 0 HG LEU A1082 -23.040 -4.679 16.984 1.00 7.80 H new ATOM 0 HD11 LEU A1082 -24.312 -5.056 15.025 1.00 8.95 H new ATOM 0 HD12 LEU A1082 -22.784 -5.361 14.741 1.00 8.95 H new ATOM 0 HD13 LEU A1082 -23.798 -6.554 14.982 1.00 8.95 H new ATOM 0 HD21 LEU A1082 -25.245 -5.374 17.333 1.00 12.55 H new ATOM 0 HD22 LEU A1082 -24.769 -6.885 17.341 1.00 12.55 H new ATOM 0 HD23 LEU A1082 -24.315 -5.905 18.500 1.00 12.55 H new ATOM 1439 N VAL A1083 -20.314 -3.816 16.274 1.00 9.61 N ATOM 1440 CA VAL A1083 -20.215 -2.436 16.738 1.00 12.46 C ATOM 1441 C VAL A1083 -21.241 -1.597 15.980 1.00 10.11 C ATOM 1442 O VAL A1083 -21.747 -1.985 14.930 1.00 7.94 O ATOM 1443 CB VAL A1083 -18.795 -1.849 16.574 1.00 13.95 C ATOM 1444 CG1 VAL A1083 -17.734 -2.788 17.196 1.00 12.63 C ATOM 1445 CG2 VAL A1083 -18.485 -1.543 15.131 1.00 14.20 C ATOM 0 H VAL A1083 -20.385 -3.900 15.421 1.00 9.61 H new ATOM 0 HA VAL A1083 -20.400 -2.419 17.690 1.00 12.46 H new ATOM 0 HB VAL A1083 -18.765 -1.008 17.056 1.00 13.95 H new ATOM 0 HG11 VAL A1083 -16.852 -2.401 17.082 1.00 12.63 H new ATOM 0 HG12 VAL A1083 -17.917 -2.902 18.142 1.00 12.63 H new ATOM 0 HG13 VAL A1083 -17.767 -3.651 16.755 1.00 12.63 H new ATOM 0 HG21 VAL A1083 -17.589 -1.177 15.063 1.00 14.20 H new ATOM 0 HG22 VAL A1083 -18.542 -2.358 14.608 1.00 14.20 H new ATOM 0 HG23 VAL A1083 -19.124 -0.897 14.792 1.00 14.20 H new ATOM 1455 N GLY A1084 -21.481 -0.400 16.484 1.00 9.66 N ATOM 1456 CA GLY A1084 -22.392 0.510 15.820 1.00 10.61 C ATOM 1457 C GLY A1084 -22.114 1.947 16.184 1.00 10.14 C ATOM 1458 O GLY A1084 -21.718 2.262 17.315 1.00 11.07 O ATOM 0 H GLY A1084 -21.128 -0.096 17.207 1.00 9.66 H new ATOM 0 HA2 GLY A1084 -22.316 0.399 14.859 1.00 10.61 H new ATOM 0 HA3 GLY A1084 -23.305 0.286 16.060 1.00 10.61 H new ATOM 1462 N TRP A1085 -22.370 2.826 15.223 1.00 8.04 N ATOM 1463 CA TRP A1085 -22.328 4.265 15.407 1.00 9.76 C ATOM 1464 C TRP A1085 -23.677 4.841 15.001 1.00 10.40 C ATOM 1465 O TRP A1085 -24.425 4.251 14.209 1.00 9.52 O ATOM 1466 CB TRP A1085 -21.246 4.935 14.546 1.00 8.62 C ATOM 1467 CG TRP A1085 -19.864 4.403 14.559 1.00 7.65 C ATOM 1468 CD1 TRP A1085 -18.833 4.845 15.319 1.00 9.34 C ATOM 1469 CD2 TRP A1085 -19.316 3.387 13.691 1.00 9.58 C ATOM 1470 NE1 TRP A1085 -17.682 4.155 15.009 1.00 11.12 N ATOM 1471 CE2 TRP A1085 -17.951 3.262 14.005 1.00 9.00 C ATOM 1472 CE3 TRP A1085 -19.854 2.575 12.689 1.00 10.35 C ATOM 1473 CZ2 TRP A1085 -17.121 2.353 13.371 1.00 10.14 C ATOM 1474 CZ3 TRP A1085 -19.017 1.671 12.045 1.00 10.67 C ATOM 1475 CH2 TRP A1085 -17.666 1.572 12.385 1.00 11.93 C ATOM 0 H TRP A1085 -22.579 2.592 14.422 1.00 8.04 H new ATOM 0 HA TRP A1085 -22.122 4.438 16.339 1.00 9.76 H new ATOM 0 HB2 TRP A1085 -21.555 4.917 13.627 1.00 8.62 H new ATOM 0 HB3 TRP A1085 -21.200 5.867 14.811 1.00 8.62 H new ATOM 0 HD1 TRP A1085 -18.894 5.518 15.958 1.00 9.34 H new ATOM 0 HE1 TRP A1085 -16.917 4.267 15.385 1.00 11.12 H new ATOM 0 HE3 TRP A1085 -20.753 2.638 12.458 1.00 10.35 H new ATOM 0 HZ2 TRP A1085 -16.225 2.275 13.606 1.00 10.14 H new ATOM 0 HZ3 TRP A1085 -19.362 1.123 11.377 1.00 10.67 H new ATOM 0 HH2 TRP A1085 -17.126 0.964 11.934 1.00 11.93 H new ATOM 1486 N GLN A1086 -24.011 5.996 15.553 1.00 8.77 N ATOM 1487 CA GLN A1086 -25.157 6.729 15.041 1.00 10.16 C ATOM 1488 C GLN A1086 -25.088 6.825 13.522 1.00 10.96 C ATOM 1489 O GLN A1086 -24.039 7.148 12.954 1.00 9.60 O ATOM 1490 CB GLN A1086 -25.201 8.129 15.660 1.00 15.50 C ATOM 1491 CG GLN A1086 -24.033 8.998 15.307 1.00 13.82 C ATOM 1492 CD GLN A1086 -23.655 9.935 16.435 1.00 15.39 C ATOM 1493 OE1 GLN A1086 -23.488 9.516 17.587 1.00 14.96 O ATOM 1494 NE2 GLN A1086 -23.556 11.219 16.120 1.00 20.32 N ATOM 0 H GLN A1086 -23.599 6.367 16.210 1.00 8.77 H new ATOM 0 HA GLN A1086 -25.967 6.253 15.283 1.00 10.16 H new ATOM 0 HB2 GLN A1086 -26.017 8.571 15.376 1.00 15.50 H new ATOM 0 HB3 GLN A1086 -25.246 8.043 16.625 1.00 15.50 H new ATOM 0 HG2 GLN A1086 -23.272 8.439 15.084 1.00 13.82 H new ATOM 0 HG3 GLN A1086 -24.246 9.517 14.515 1.00 13.82 H new ATOM 0 HE21 GLN A1086 -23.679 11.473 15.308 1.00 20.32 H new ATOM 0 HE22 GLN A1086 -23.369 11.798 16.728 1.00 20.32 H new ATOM 1503 N ALA A1087 -26.222 6.565 12.869 1.00 8.87 N ATOM 1504 CA ALA A1087 -26.253 6.528 11.408 1.00 7.80 C ATOM 1505 C ALA A1087 -25.965 7.912 10.836 1.00 13.11 C ATOM 1506 O ALA A1087 -26.514 8.906 11.317 1.00 11.47 O ATOM 1507 CB ALA A1087 -27.599 6.029 10.895 1.00 11.03 C ATOM 0 H ALA A1087 -26.977 6.409 13.250 1.00 8.87 H new ATOM 0 HA ALA A1087 -25.566 5.910 11.114 1.00 7.80 H new ATOM 0 HB1 ALA A1087 -27.591 6.015 9.925 1.00 11.03 H new ATOM 0 HB2 ALA A1087 -27.761 5.133 11.230 1.00 11.03 H new ATOM 0 HB3 ALA A1087 -28.303 6.621 11.203 1.00 11.03 H new ATOM 1513 N PRO A1088 -25.112 8.024 9.825 1.00 10.66 N ATOM 1514 CA PRO A1088 -24.797 9.346 9.275 1.00 12.15 C ATOM 1515 C PRO A1088 -25.989 10.029 8.616 1.00 13.89 C ATOM 1516 O PRO A1088 -26.870 9.405 8.029 1.00 12.77 O ATOM 1517 CB PRO A1088 -23.684 9.060 8.253 1.00 15.65 C ATOM 1518 CG PRO A1088 -23.553 7.594 8.166 1.00 20.04 C ATOM 1519 CD PRO A1088 -24.184 6.985 9.364 1.00 14.46 C ATOM 0 HA PRO A1088 -24.532 9.965 9.974 1.00 12.15 H new ATOM 0 HB2 PRO A1088 -23.906 9.438 7.388 1.00 15.65 H new ATOM 0 HB3 PRO A1088 -22.848 9.464 8.533 1.00 15.65 H new ATOM 0 HG2 PRO A1088 -23.979 7.266 7.359 1.00 20.04 H new ATOM 0 HG3 PRO A1088 -22.617 7.343 8.115 1.00 20.04 H new ATOM 0 HD2 PRO A1088 -24.649 6.162 9.144 1.00 14.46 H new ATOM 0 HD3 PRO A1088 -23.526 6.766 10.043 1.00 14.46 H new ATOM 1527 N GLN A1089 -25.999 11.355 8.715 1.00 13.17 N ATOM 1528 CA GLN A1089 -27.007 12.140 8.035 1.00 12.47 C ATOM 1529 C GLN A1089 -26.976 11.828 6.547 1.00 13.68 C ATOM 1530 O GLN A1089 -25.914 11.837 5.918 1.00 21.82 O ATOM 1531 CB GLN A1089 -26.757 13.640 8.286 1.00 20.35 C ATOM 0 H GLN A1089 -25.431 11.813 9.170 1.00 13.17 H new ATOM 0 HA GLN A1089 -27.885 11.915 8.380 1.00 12.47 H new ATOM 1534 N GLY A1090 -28.128 11.487 6.003 1.00 15.95 N ATOM 1535 CA GLY A1090 -28.267 11.150 4.608 1.00 20.38 C ATOM 1536 C GLY A1090 -28.391 9.667 4.348 1.00 17.50 C ATOM 1537 O GLY A1090 -28.917 9.279 3.311 1.00 17.95 O ATOM 0 H GLY A1090 -28.864 11.445 6.445 1.00 15.95 H new ATOM 0 HA2 GLY A1090 -29.050 11.599 4.252 1.00 20.38 H new ATOM 0 HA3 GLY A1090 -27.499 11.492 4.123 1.00 20.38 H new ATOM 1541 N SER A1091 -27.921 8.830 5.266 1.00 12.75 N ATOM 1542 CA SER A1091 -28.153 7.410 5.152 1.00 10.74 C ATOM 1543 C SER A1091 -29.648 7.109 5.260 1.00 15.57 C ATOM 1544 O SER A1091 -30.447 7.919 5.735 1.00 14.86 O ATOM 1545 CB SER A1091 -27.368 6.654 6.234 1.00 14.98 C ATOM 1546 OG SER A1091 -27.774 7.048 7.531 1.00 14.77 O ATOM 0 H SER A1091 -27.468 9.069 5.957 1.00 12.75 H new ATOM 0 HA SER A1091 -27.842 7.110 4.283 1.00 10.74 H new ATOM 0 HB2 SER A1091 -27.502 5.699 6.127 1.00 14.98 H new ATOM 0 HB3 SER A1091 -26.419 6.821 6.125 1.00 14.98 H new ATOM 0 HG SER A1091 -27.321 7.711 7.777 1.00 14.77 H new ATOM 1552 N ARG A1092 -30.016 5.926 4.803 1.00 13.32 N ATOM 1553 CA ARG A1092 -31.359 5.385 4.963 1.00 16.13 C ATOM 1554 C ARG A1092 -31.216 4.075 5.719 1.00 14.07 C ATOM 1555 O ARG A1092 -30.233 3.350 5.530 1.00 14.31 O ATOM 1556 CB ARG A1092 -32.045 5.169 3.593 1.00 19.67 C ATOM 0 H ARG A1092 -29.482 5.400 4.381 1.00 13.32 H new ATOM 0 HA ARG A1092 -31.922 6.005 5.452 1.00 16.13 H new ATOM 1559 N SER A1093 -32.163 3.788 6.606 1.00 11.64 N ATOM 1560 CA SER A1093 -32.073 2.616 7.461 1.00 11.23 C ATOM 1561 C SER A1093 -32.985 1.502 6.981 1.00 14.90 C ATOM 1562 O SER A1093 -34.112 1.758 6.552 1.00 14.18 O ATOM 1563 CB SER A1093 -32.479 2.958 8.896 1.00 16.98 C ATOM 1564 OG SER A1093 -31.380 3.302 9.674 1.00 17.98 O ATOM 0 H SER A1093 -32.869 4.264 6.727 1.00 11.64 H new ATOM 0 HA SER A1093 -31.149 2.322 7.428 1.00 11.23 H new ATOM 0 HB2 SER A1093 -33.112 3.693 8.887 1.00 16.98 H new ATOM 0 HB3 SER A1093 -32.932 2.198 9.294 1.00 16.98 H new ATOM 0 HG SER A1093 -30.675 3.073 9.280 1.00 17.98 H new ATOM 1569 N LEU A1094 -32.511 0.267 7.111 1.00 11.28 N ATOM 1570 CA LEU A1094 -33.364 -0.902 6.957 1.00 11.66 C ATOM 1571 C LEU A1094 -34.190 -1.104 8.227 1.00 10.45 C ATOM 1572 O LEU A1094 -33.768 -0.753 9.336 1.00 13.09 O ATOM 1573 CB LEU A1094 -32.526 -2.159 6.689 1.00 14.67 C ATOM 1574 CG LEU A1094 -31.632 -2.119 5.453 1.00 12.67 C ATOM 1575 CD1 LEU A1094 -30.679 -3.307 5.427 1.00 15.40 C ATOM 1576 CD2 LEU A1094 -32.486 -2.118 4.196 1.00 17.62 C ATOM 0 H LEU A1094 -31.690 0.085 7.290 1.00 11.28 H new ATOM 0 HA LEU A1094 -33.952 -0.755 6.200 1.00 11.66 H new ATOM 0 HB2 LEU A1094 -31.967 -2.325 7.465 1.00 14.67 H new ATOM 0 HB3 LEU A1094 -33.128 -2.915 6.606 1.00 14.67 H new ATOM 0 HG LEU A1094 -31.105 -1.306 5.488 1.00 12.67 H new ATOM 0 HD11 LEU A1094 -30.123 -3.259 4.634 1.00 15.40 H new ATOM 0 HD12 LEU A1094 -30.117 -3.288 6.217 1.00 15.40 H new ATOM 0 HD13 LEU A1094 -31.190 -4.132 5.414 1.00 15.40 H new ATOM 0 HD21 LEU A1094 -31.912 -2.092 3.415 1.00 17.62 H new ATOM 0 HD22 LEU A1094 -33.028 -2.922 4.172 1.00 17.62 H new ATOM 0 HD23 LEU A1094 -33.064 -1.339 4.198 1.00 17.62 H new ATOM 1588 N THR A1095 -35.336 -1.719 8.064 1.00 10.99 N ATOM 1589 CA THR A1095 -36.251 -2.115 9.137 1.00 10.05 C ATOM 1590 C THR A1095 -36.009 -3.557 9.555 1.00 14.30 C ATOM 1591 O THR A1095 -35.907 -4.430 8.677 1.00 12.23 O ATOM 1592 CB THR A1095 -37.701 -1.969 8.690 1.00 17.63 C ATOM 1593 OG1 THR A1095 -37.953 -0.601 8.365 1.00 22.31 O ATOM 1594 CG2 THR A1095 -38.654 -2.379 9.813 1.00 19.11 C ATOM 0 H THR A1095 -35.629 -1.935 7.285 1.00 10.99 H new ATOM 0 HA THR A1095 -36.083 -1.530 9.892 1.00 10.05 H new ATOM 0 HB THR A1095 -37.847 -2.540 7.920 1.00 17.63 H new ATOM 0 HG1 THR A1095 -37.500 -0.385 7.691 1.00 22.31 H new ATOM 0 HG21 THR A1095 -39.571 -2.280 9.512 1.00 19.11 H new ATOM 0 HG22 THR A1095 -38.491 -3.304 10.054 1.00 19.11 H new ATOM 0 HG23 THR A1095 -38.505 -1.813 10.587 1.00 19.11 H new ATOM 1602 N PRO A1096 -35.921 -3.846 10.857 1.00 13.20 N ATOM 1603 CA PRO A1096 -35.770 -5.241 11.289 1.00 14.98 C ATOM 1604 C PRO A1096 -36.929 -6.099 10.801 1.00 14.60 C ATOM 1605 O PRO A1096 -38.100 -5.705 10.872 1.00 13.16 O ATOM 1606 CB PRO A1096 -35.742 -5.139 12.817 1.00 15.74 C ATOM 1607 CG PRO A1096 -35.244 -3.785 13.084 1.00 16.24 C ATOM 1608 CD PRO A1096 -35.751 -2.918 11.985 1.00 14.83 C ATOM 0 HA PRO A1096 -34.976 -5.666 10.930 1.00 14.98 H new ATOM 0 HB2 PRO A1096 -36.625 -5.272 13.196 1.00 15.74 H new ATOM 0 HB3 PRO A1096 -35.162 -5.812 13.206 1.00 15.74 H new ATOM 0 HG2 PRO A1096 -35.556 -3.467 13.946 1.00 16.24 H new ATOM 0 HG3 PRO A1096 -34.274 -3.774 13.112 1.00 16.24 H new ATOM 0 HD2 PRO A1096 -36.589 -2.492 12.225 1.00 14.83 H new ATOM 0 HD3 PRO A1096 -35.124 -2.210 11.772 1.00 14.83 H new ATOM 1616 N CYS A1097 -36.587 -7.282 10.317 1.00 14.30 N ATOM 1617 CA CYS A1097 -37.576 -8.207 9.788 1.00 15.48 C ATOM 1618 C CYS A1097 -38.443 -8.805 10.891 1.00 13.86 C ATOM 1619 O CYS A1097 -37.957 -9.224 11.950 1.00 14.49 O ATOM 1620 CB CYS A1097 -36.879 -9.319 9.019 1.00 13.50 C ATOM 1621 SG CYS A1097 -38.041 -10.468 8.182 1.00 12.17 S ATOM 0 H CYS A1097 -35.778 -7.572 10.285 1.00 14.30 H new ATOM 0 HA CYS A1097 -38.159 -7.709 9.193 1.00 15.48 H new ATOM 0 HB2 CYS A1097 -36.291 -8.925 8.356 1.00 13.50 H new ATOM 0 HB3 CYS A1097 -36.320 -9.824 9.630 1.00 13.50 H new ATOM 1626 N THR A1098 -39.749 -8.861 10.619 1.00 14.85 N ATOM 1627 CA THR A1098 -40.699 -9.539 11.489 1.00 19.13 C ATOM 1628 C THR A1098 -41.484 -10.612 10.738 1.00 19.98 C ATOM 1629 O THR A1098 -42.518 -11.064 11.239 1.00 17.96 O ATOM 1630 CB THR A1098 -41.666 -8.534 12.119 1.00 14.24 C ATOM 1631 OG1 THR A1098 -42.394 -7.885 11.081 1.00 18.86 O ATOM 1632 CG2 THR A1098 -40.925 -7.476 12.912 1.00 19.13 C ATOM 0 H THR A1098 -40.105 -8.505 9.922 1.00 14.85 H new ATOM 0 HA THR A1098 -40.189 -9.973 12.190 1.00 19.13 H new ATOM 0 HB THR A1098 -42.257 -9.016 12.718 1.00 14.24 H new ATOM 0 HG1 THR A1098 -41.894 -7.335 10.690 1.00 18.86 H new ATOM 0 HG21 THR A1098 -41.562 -6.855 13.298 1.00 19.13 H new ATOM 0 HG22 THR A1098 -40.417 -7.900 13.621 1.00 19.13 H new ATOM 0 HG23 THR A1098 -40.321 -6.995 12.325 1.00 19.13 H new ATOM 1640 N CYS A1099 -41.001 -11.018 9.551 1.00 15.59 N ATOM 1641 CA CYS A1099 -41.691 -11.952 8.651 1.00 18.83 C ATOM 1642 C CYS A1099 -41.616 -13.404 9.103 1.00 20.98 C ATOM 1643 O CYS A1099 -42.481 -14.215 8.718 1.00 14.98 O ATOM 1644 CB CYS A1099 -41.092 -11.862 7.239 1.00 12.26 C ATOM 1645 SG CYS A1099 -41.368 -10.289 6.466 1.00 15.89 S ATOM 0 H CYS A1099 -40.244 -10.749 9.243 1.00 15.59 H new ATOM 0 HA CYS A1099 -42.624 -11.686 8.661 1.00 18.83 H new ATOM 0 HB2 CYS A1099 -40.138 -12.030 7.287 1.00 12.26 H new ATOM 0 HB3 CYS A1099 -41.476 -12.560 6.686 1.00 12.26 H new ATOM 1650 N GLY A1100 -40.594 -13.762 9.872 1.00 14.17 N ATOM 1651 CA GLY A1100 -40.428 -15.147 10.282 1.00 14.47 C ATOM 1652 C GLY A1100 -40.113 -16.087 9.136 1.00 20.76 C ATOM 1653 O GLY A1100 -40.370 -17.296 9.245 1.00 22.94 O ATOM 0 H GLY A1100 -39.991 -13.223 10.164 1.00 14.17 H new ATOM 0 HA2 GLY A1100 -39.715 -15.199 10.938 1.00 14.47 H new ATOM 0 HA3 GLY A1100 -41.240 -15.446 10.721 1.00 14.47 H new ATOM 1657 N SER A1101 -39.531 -15.554 8.059 1.00 17.88 N ATOM 1658 CA SER A1101 -39.282 -16.216 6.772 1.00 23.47 C ATOM 1659 C SER A1101 -37.833 -16.693 6.659 1.00 20.60 C ATOM 1660 O SER A1101 -36.921 -15.993 7.096 1.00 17.70 O ATOM 1661 CB SER A1101 -39.551 -15.217 5.626 1.00 18.46 C ATOM 1662 OG SER A1101 -38.911 -15.620 4.377 1.00 33.18 O ATOM 0 H SER A1101 -39.252 -14.741 8.060 1.00 17.88 H new ATOM 0 HA SER A1101 -39.872 -16.984 6.713 1.00 23.47 H new ATOM 0 HB2 SER A1101 -40.508 -15.139 5.486 1.00 18.46 H new ATOM 0 HB3 SER A1101 -39.229 -14.339 5.883 1.00 18.46 H new ATOM 0 HG SER A1101 -39.491 -15.686 3.773 1.00 33.18 H new ATOM 1668 N SER A1102 -37.610 -17.848 6.008 1.00 16.55 N ATOM 1669 CA SER A1102 -36.268 -18.410 5.890 1.00 14.00 C ATOM 1670 C SER A1102 -35.643 -18.307 4.498 1.00 16.19 C ATOM 1671 O SER A1102 -34.544 -18.849 4.278 1.00 14.25 O ATOM 1672 CB SER A1102 -36.298 -19.862 6.368 1.00 17.95 C ATOM 1673 OG SER A1102 -36.418 -19.854 7.796 1.00 16.54 O ATOM 0 H SER A1102 -38.226 -18.315 5.631 1.00 16.55 H new ATOM 0 HA SER A1102 -35.691 -17.869 6.452 1.00 14.00 H new ATOM 0 HB2 SER A1102 -37.044 -20.336 5.967 1.00 17.95 H new ATOM 0 HB3 SER A1102 -35.490 -20.325 6.098 1.00 17.95 H new ATOM 0 HG SER A1102 -37.229 -19.796 8.009 1.00 16.54 H new ATOM 1679 N ASP A1103 -36.264 -17.583 3.567 1.00 12.67 N ATOM 1680 CA ASP A1103 -35.666 -17.348 2.252 1.00 12.33 C ATOM 1681 C ASP A1103 -35.018 -15.968 2.280 1.00 15.02 C ATOM 1682 O ASP A1103 -35.717 -14.951 2.289 1.00 17.01 O ATOM 1683 CB ASP A1103 -36.716 -17.479 1.147 1.00 15.81 C ATOM 1684 CG ASP A1103 -37.207 -18.919 0.986 1.00 18.74 C ATOM 1685 OD1 ASP A1103 -36.442 -19.872 1.278 1.00 15.47 O ATOM 1686 OD2 ASP A1103 -38.360 -19.109 0.570 1.00 17.42 O ATOM 0 H ASP A1103 -37.035 -17.218 3.677 1.00 12.67 H new ATOM 0 HA ASP A1103 -34.989 -18.014 2.055 1.00 12.33 H new ATOM 0 HB2 ASP A1103 -37.470 -16.902 1.349 1.00 15.81 H new ATOM 0 HB3 ASP A1103 -36.340 -17.171 0.307 1.00 15.81 H new ATOM 1691 N LEU A1104 -33.688 -15.940 2.341 1.00 13.78 N ATOM 1692 CA LEU A1104 -32.922 -14.722 2.572 1.00 13.68 C ATOM 1693 C LEU A1104 -32.056 -14.380 1.364 1.00 21.11 C ATOM 1694 O LEU A1104 -31.917 -15.163 0.418 1.00 15.58 O ATOM 1695 CB LEU A1104 -32.038 -14.871 3.804 1.00 14.91 C ATOM 1696 CG LEU A1104 -32.730 -15.434 5.051 1.00 12.86 C ATOM 1697 CD1 LEU A1104 -31.743 -15.481 6.202 1.00 11.60 C ATOM 1698 CD2 LEU A1104 -33.939 -14.595 5.398 1.00 14.72 C ATOM 0 H LEU A1104 -33.199 -16.641 2.247 1.00 13.78 H new ATOM 0 HA LEU A1104 -33.555 -14.001 2.716 1.00 13.68 H new ATOM 0 HB2 LEU A1104 -31.292 -15.449 3.579 1.00 14.91 H new ATOM 0 HB3 LEU A1104 -31.668 -14.002 4.024 1.00 14.91 H new ATOM 0 HG LEU A1104 -33.036 -16.337 4.874 1.00 12.86 H new ATOM 0 HD11 LEU A1104 -32.182 -15.837 6.990 1.00 11.60 H new ATOM 0 HD12 LEU A1104 -30.995 -16.050 5.964 1.00 11.60 H new ATOM 0 HD13 LEU A1104 -31.421 -14.585 6.389 1.00 11.60 H new ATOM 0 HD21 LEU A1104 -34.370 -14.959 6.187 1.00 14.72 H new ATOM 0 HD22 LEU A1104 -33.660 -13.683 5.574 1.00 14.72 H new ATOM 0 HD23 LEU A1104 -34.564 -14.605 4.656 1.00 14.72 H new ATOM 1710 N TYR A1105 -31.457 -13.184 1.428 1.00 12.28 N ATOM 1711 CA TYR A1105 -30.569 -12.666 0.392 1.00 12.73 C ATOM 1712 C TYR A1105 -29.405 -11.932 1.025 1.00 14.14 C ATOM 1713 O TYR A1105 -29.619 -11.043 1.858 1.00 16.21 O ATOM 1714 CB TYR A1105 -31.333 -11.719 -0.532 1.00 11.86 C ATOM 1715 CG TYR A1105 -32.532 -12.412 -1.111 1.00 16.31 C ATOM 1716 CD1 TYR A1105 -32.436 -13.124 -2.304 1.00 19.04 C ATOM 1717 CD2 TYR A1105 -33.737 -12.408 -0.445 1.00 13.73 C ATOM 1718 CE1 TYR A1105 -33.521 -13.799 -2.814 1.00 20.00 C ATOM 1719 CE2 TYR A1105 -34.827 -13.083 -0.948 1.00 17.04 C ATOM 1720 CZ TYR A1105 -34.715 -13.773 -2.139 1.00 21.86 C ATOM 1721 OH TYR A1105 -35.819 -14.455 -2.630 1.00 25.76 O ATOM 0 H TYR A1105 -31.561 -12.645 2.090 1.00 12.28 H new ATOM 0 HA TYR A1105 -30.231 -13.412 -0.128 1.00 12.73 H new ATOM 0 HB2 TYR A1105 -31.613 -10.932 -0.039 1.00 11.86 H new ATOM 0 HB3 TYR A1105 -30.751 -11.414 -1.246 1.00 11.86 H new ATOM 0 HD1 TYR A1105 -31.627 -13.143 -2.762 1.00 19.04 H new ATOM 0 HD2 TYR A1105 -33.816 -11.943 0.356 1.00 13.73 H new ATOM 0 HE1 TYR A1105 -33.445 -14.270 -3.612 1.00 20.00 H new ATOM 0 HE2 TYR A1105 -35.635 -13.074 -0.488 1.00 17.04 H new ATOM 0 HH TYR A1105 -35.780 -14.485 -3.469 1.00 25.76 H new ATOM 1731 N LEU A1106 -28.185 -12.319 0.657 1.00 9.60 N ATOM 1732 CA LEU A1106 -26.973 -11.679 1.148 1.00 10.43 C ATOM 1733 C LEU A1106 -26.484 -10.685 0.100 1.00 14.96 C ATOM 1734 O LEU A1106 -26.404 -11.028 -1.085 1.00 14.20 O ATOM 1735 CB LEU A1106 -25.901 -12.733 1.439 1.00 12.92 C ATOM 1736 CG LEU A1106 -24.503 -12.267 1.814 1.00 15.47 C ATOM 1737 CD1 LEU A1106 -24.609 -11.548 3.109 1.00 18.83 C ATOM 1738 CD2 LEU A1106 -23.560 -13.420 1.956 1.00 25.94 C ATOM 0 H LEU A1106 -28.039 -12.967 0.110 1.00 9.60 H new ATOM 0 HA LEU A1106 -27.160 -11.207 1.975 1.00 10.43 H new ATOM 0 HB2 LEU A1106 -26.228 -13.294 2.160 1.00 12.92 H new ATOM 0 HB3 LEU A1106 -25.822 -13.297 0.654 1.00 12.92 H new ATOM 0 HG LEU A1106 -24.153 -11.692 1.115 1.00 15.47 H new ATOM 0 HD11 LEU A1106 -23.731 -11.236 3.379 1.00 18.83 H new ATOM 0 HD12 LEU A1106 -25.205 -10.789 3.010 1.00 18.83 H new ATOM 0 HD13 LEU A1106 -24.960 -12.149 3.785 1.00 18.83 H new ATOM 0 HD21 LEU A1106 -22.679 -13.091 2.195 1.00 25.94 H new ATOM 0 HD22 LEU A1106 -23.881 -14.017 2.650 1.00 25.94 H new ATOM 0 HD23 LEU A1106 -23.508 -13.901 1.115 1.00 25.94 H new ATOM 1750 N VAL A1107 -26.168 -9.456 0.528 1.00 10.50 N ATOM 1751 CA VAL A1107 -25.626 -8.430 -0.366 1.00 10.31 C ATOM 1752 C VAL A1107 -24.116 -8.312 -0.139 1.00 15.20 C ATOM 1753 O VAL A1107 -23.668 -8.020 0.981 1.00 13.42 O ATOM 1754 CB VAL A1107 -26.323 -7.076 -0.146 1.00 11.86 C ATOM 1755 CG1 VAL A1107 -25.818 -6.052 -1.170 1.00 13.35 C ATOM 1756 CG2 VAL A1107 -27.820 -7.223 -0.249 1.00 11.91 C ATOM 0 H VAL A1107 -26.262 -9.197 1.343 1.00 10.50 H new ATOM 0 HA VAL A1107 -25.792 -8.692 -1.285 1.00 10.31 H new ATOM 0 HB VAL A1107 -26.109 -6.761 0.746 1.00 11.86 H new ATOM 0 HG11 VAL A1107 -26.262 -5.202 -1.024 1.00 13.35 H new ATOM 0 HG12 VAL A1107 -24.860 -5.937 -1.068 1.00 13.35 H new ATOM 0 HG13 VAL A1107 -26.012 -6.368 -2.066 1.00 13.35 H new ATOM 0 HG21 VAL A1107 -28.241 -6.360 -0.108 1.00 11.91 H new ATOM 0 HG22 VAL A1107 -28.053 -7.555 -1.130 1.00 11.91 H new ATOM 0 HG23 VAL A1107 -28.131 -7.848 0.424 1.00 11.91 H new ATOM 1766 N THR A1108 -23.320 -8.526 -1.196 1.00 11.35 N ATOM 1767 CA THR A1108 -21.873 -8.433 -1.091 1.00 9.26 C ATOM 1768 C THR A1108 -21.371 -7.038 -1.462 1.00 9.56 C ATOM 1769 O THR A1108 -22.103 -6.198 -1.985 1.00 9.18 O ATOM 1770 CB THR A1108 -21.173 -9.422 -2.005 1.00 11.47 C ATOM 1771 OG1 THR A1108 -21.350 -8.968 -3.341 1.00 11.07 O ATOM 1772 CG2 THR A1108 -21.716 -10.838 -1.852 1.00 17.33 C ATOM 0 H THR A1108 -23.608 -8.726 -1.981 1.00 11.35 H new ATOM 0 HA THR A1108 -21.665 -8.632 -0.165 1.00 9.26 H new ATOM 0 HB THR A1108 -20.233 -9.464 -1.769 1.00 11.47 H new ATOM 0 HG1 THR A1108 -20.821 -9.378 -3.849 1.00 11.07 H new ATOM 0 HG21 THR A1108 -21.241 -11.434 -2.453 1.00 17.33 H new ATOM 0 HG22 THR A1108 -21.591 -11.135 -0.937 1.00 17.33 H new ATOM 0 HG23 THR A1108 -22.661 -10.847 -2.069 1.00 17.33 H new ATOM 1780 N ARG A1109 -20.076 -6.824 -1.224 1.00 8.57 N ATOM 1781 CA ARG A1109 -19.429 -5.547 -1.524 1.00 9.69 C ATOM 1782 C ARG A1109 -19.293 -5.315 -3.018 1.00 10.41 C ATOM 1783 O ARG A1109 -18.979 -4.192 -3.423 1.00 13.96 O ATOM 1784 CB ARG A1109 -18.047 -5.475 -0.875 1.00 12.96 C ATOM 1785 CG ARG A1109 -17.001 -6.376 -1.508 1.00 12.99 C ATOM 1786 CD ARG A1109 -15.615 -6.207 -0.906 1.00 16.58 C ATOM 1787 NE ARG A1109 -15.016 -4.890 -1.165 1.00 16.02 N ATOM 1788 CZ ARG A1109 -14.853 -3.923 -0.268 1.00 16.80 C ATOM 1789 NH1 ARG A1109 -15.261 -4.075 0.994 1.00 15.29 N ATOM 1790 NH2 ARG A1109 -14.267 -2.787 -0.635 1.00 19.54 N ATOM 0 H ARG A1109 -19.550 -7.414 -0.885 1.00 8.57 H new ATOM 0 HA ARG A1109 -19.998 -4.852 -1.158 1.00 9.69 H new ATOM 0 HB2 ARG A1109 -17.732 -4.558 -0.913 1.00 12.96 H new ATOM 0 HB3 ARG A1109 -18.131 -5.707 0.063 1.00 12.96 H new ATOM 0 HG2 ARG A1109 -17.278 -7.300 -1.410 1.00 12.99 H new ATOM 0 HG3 ARG A1109 -16.958 -6.192 -2.459 1.00 12.99 H new ATOM 0 HD2 ARG A1109 -15.668 -6.347 0.052 1.00 16.58 H new ATOM 0 HD3 ARG A1109 -15.031 -6.895 -1.261 1.00 16.58 H new ATOM 0 HE ARG A1109 -14.748 -4.731 -1.967 1.00 16.02 H new ATOM 0 HH11 ARG A1109 -15.637 -4.809 1.239 1.00 15.29 H new ATOM 0 HH12 ARG A1109 -15.148 -3.439 1.562 1.00 15.29 H new ATOM 0 HH21 ARG A1109 -13.998 -2.684 -1.445 1.00 19.54 H new ATOM 0 HH22 ARG A1109 -14.157 -2.155 -0.062 1.00 19.54 H new ATOM 1804 N HIS A1110 -19.496 -6.346 -3.825 1.00 13.65 N ATOM 1805 CA HIS A1110 -19.558 -6.190 -5.276 1.00 11.70 C ATOM 1806 C HIS A1110 -20.985 -6.044 -5.754 1.00 11.85 C ATOM 1807 O HIS A1110 -21.240 -6.063 -6.966 1.00 17.47 O ATOM 1808 CB HIS A1110 -18.858 -7.374 -5.938 1.00 17.67 C ATOM 1809 CG HIS A1110 -17.486 -7.613 -5.391 1.00 14.53 C ATOM 1810 ND1 HIS A1110 -16.475 -6.681 -5.495 1.00 18.68 N ATOM 1811 CD2 HIS A1110 -16.980 -8.637 -4.661 1.00 21.04 C ATOM 1812 CE1 HIS A1110 -15.395 -7.135 -4.879 1.00 20.41 C ATOM 1813 NE2 HIS A1110 -15.672 -8.325 -4.373 1.00 19.55 N ATOM 0 H HIS A1110 -19.602 -7.154 -3.551 1.00 13.65 H new ATOM 0 HA HIS A1110 -19.098 -5.374 -5.529 1.00 11.70 H new ATOM 0 HB2 HIS A1110 -19.395 -8.172 -5.815 1.00 17.67 H new ATOM 0 HB3 HIS A1110 -18.798 -7.217 -6.893 1.00 17.67 H new ATOM 0 HD1 HIS A1110 -16.537 -5.923 -5.897 1.00 18.68 H new ATOM 0 HD2 HIS A1110 -17.433 -9.407 -4.403 1.00 21.04 H new ATOM 0 HE1 HIS A1110 -14.580 -6.692 -4.813 1.00 20.41 H new ATOM 1821 N ALA A1111 -21.925 -5.931 -4.821 1.00 11.21 N ATOM 1822 CA ALA A1111 -23.330 -5.748 -5.112 1.00 11.68 C ATOM 1823 C ALA A1111 -23.931 -6.992 -5.726 1.00 11.04 C ATOM 1824 O ALA A1111 -24.949 -6.908 -6.423 1.00 16.86 O ATOM 1825 CB ALA A1111 -23.583 -4.555 -6.028 1.00 13.16 C ATOM 0 H ALA A1111 -21.752 -5.960 -3.979 1.00 11.21 H new ATOM 0 HA ALA A1111 -23.761 -5.571 -4.261 1.00 11.68 H new ATOM 0 HB1 ALA A1111 -24.535 -4.471 -6.195 1.00 13.16 H new ATOM 0 HB2 ALA A1111 -23.257 -3.746 -5.603 1.00 13.16 H new ATOM 0 HB3 ALA A1111 -23.118 -4.688 -6.869 1.00 13.16 H new ATOM 1831 N ASP A1112 -23.310 -8.142 -5.505 1.00 13.74 N ATOM 1832 CA ASP A1112 -23.991 -9.405 -5.774 1.00 17.76 C ATOM 1833 C ASP A1112 -25.078 -9.617 -4.728 1.00 19.12 C ATOM 1834 O ASP A1112 -24.888 -9.319 -3.549 1.00 18.89 O ATOM 1835 CB ASP A1112 -23.000 -10.581 -5.754 1.00 17.20 C ATOM 1836 CG ASP A1112 -21.894 -10.442 -6.774 1.00 18.16 C ATOM 1837 OD1 ASP A1112 -22.201 -10.256 -7.956 1.00 23.04 O ATOM 1838 OD2 ASP A1112 -20.708 -10.493 -6.390 1.00 32.50 O ATOM 0 H ASP A1112 -22.508 -8.216 -5.205 1.00 13.74 H new ATOM 0 HA ASP A1112 -24.388 -9.366 -6.658 1.00 17.76 H new ATOM 0 HB2 ASP A1112 -22.609 -10.653 -4.869 1.00 17.20 H new ATOM 0 HB3 ASP A1112 -23.482 -11.406 -5.919 1.00 17.20 H new ATOM 1843 N VAL A1113 -26.223 -10.150 -5.157 1.00 16.45 N ATOM 1844 CA VAL A1113 -27.320 -10.469 -4.257 1.00 15.65 C ATOM 1845 C VAL A1113 -27.497 -11.981 -4.302 1.00 22.26 C ATOM 1846 O VAL A1113 -28.012 -12.519 -5.286 1.00 28.49 O ATOM 1847 CB VAL A1113 -28.613 -9.733 -4.631 1.00 19.66 C ATOM 1848 CG1 VAL A1113 -29.734 -10.126 -3.688 1.00 24.13 C ATOM 1849 CG2 VAL A1113 -28.402 -8.230 -4.571 1.00 20.65 C ATOM 0 H VAL A1113 -26.381 -10.336 -5.982 1.00 16.45 H new ATOM 0 HA VAL A1113 -27.113 -10.173 -3.357 1.00 15.65 H new ATOM 0 HB VAL A1113 -28.856 -9.984 -5.536 1.00 19.66 H new ATOM 0 HG11 VAL A1113 -30.545 -9.654 -3.935 1.00 24.13 H new ATOM 0 HG12 VAL A1113 -29.886 -11.082 -3.746 1.00 24.13 H new ATOM 0 HG13 VAL A1113 -29.489 -9.893 -2.779 1.00 24.13 H new ATOM 0 HG21 VAL A1113 -29.226 -7.778 -4.809 1.00 20.65 H new ATOM 0 HG22 VAL A1113 -28.142 -7.975 -3.672 1.00 20.65 H new ATOM 0 HG23 VAL A1113 -27.703 -7.976 -5.193 1.00 20.65 H new ATOM 1859 N ILE A1114 -27.071 -12.655 -3.239 1.00 15.50 N ATOM 1860 CA ILE A1114 -26.897 -14.105 -3.200 1.00 16.63 C ATOM 1861 C ILE A1114 -28.057 -14.701 -2.409 1.00 19.87 C ATOM 1862 O ILE A1114 -28.235 -14.344 -1.234 1.00 15.44 O ATOM 1863 CB ILE A1114 -25.557 -14.470 -2.542 1.00 18.39 C ATOM 1864 CG1 ILE A1114 -24.379 -13.926 -3.355 1.00 27.61 C ATOM 1865 CG2 ILE A1114 -25.410 -15.957 -2.366 1.00 28.52 C ATOM 1866 CD1 ILE A1114 -23.069 -14.009 -2.606 1.00 27.41 C ATOM 0 H ILE A1114 -26.869 -12.270 -2.497 1.00 15.50 H new ATOM 0 HA ILE A1114 -26.889 -14.462 -4.102 1.00 16.63 H new ATOM 0 HB ILE A1114 -25.552 -14.058 -1.664 1.00 18.39 H new ATOM 0 HG12 ILE A1114 -24.306 -14.424 -4.184 1.00 27.61 H new ATOM 0 HG13 ILE A1114 -24.554 -13.002 -3.593 1.00 27.61 H new ATOM 0 HG21 ILE A1114 -24.556 -16.151 -1.949 1.00 28.52 H new ATOM 0 HG22 ILE A1114 -26.127 -16.289 -1.803 1.00 28.52 H new ATOM 0 HG23 ILE A1114 -25.453 -16.391 -3.232 1.00 28.52 H new ATOM 0 HD11 ILE A1114 -22.356 -13.654 -3.160 1.00 27.41 H new ATOM 0 HD12 ILE A1114 -23.130 -13.491 -1.788 1.00 27.41 H new ATOM 0 HD13 ILE A1114 -22.878 -14.935 -2.389 1.00 27.41 H new ATOM 1878 N PRO A1115 -28.839 -15.617 -2.975 1.00 17.10 N ATOM 1879 CA PRO A1115 -29.868 -16.284 -2.172 1.00 10.84 C ATOM 1880 C PRO A1115 -29.237 -17.180 -1.121 1.00 10.19 C ATOM 1881 O PRO A1115 -28.260 -17.880 -1.391 1.00 10.41 O ATOM 1882 CB PRO A1115 -30.651 -17.102 -3.209 1.00 14.45 C ATOM 1883 CG PRO A1115 -30.373 -16.401 -4.504 1.00 20.09 C ATOM 1884 CD PRO A1115 -28.976 -15.959 -4.406 1.00 20.05 C ATOM 0 HA PRO A1115 -30.431 -15.666 -1.680 1.00 10.84 H new ATOM 0 HB2 PRO A1115 -30.353 -18.025 -3.233 1.00 14.45 H new ATOM 0 HB3 PRO A1115 -31.600 -17.116 -3.008 1.00 14.45 H new ATOM 0 HG2 PRO A1115 -30.501 -16.996 -5.260 1.00 20.09 H new ATOM 0 HG3 PRO A1115 -30.971 -15.648 -4.631 1.00 20.09 H new ATOM 0 HD2 PRO A1115 -28.358 -16.659 -4.669 1.00 20.05 H new ATOM 0 HD3 PRO A1115 -28.800 -15.195 -4.977 1.00 20.05 H new ATOM 1892 N VAL A1116 -29.855 -17.183 0.056 1.00 15.47 N ATOM 1893 CA VAL A1116 -29.401 -17.901 1.248 1.00 10.29 C ATOM 1894 C VAL A1116 -30.634 -18.457 1.937 1.00 12.01 C ATOM 1895 O VAL A1116 -31.591 -17.719 2.196 1.00 13.68 O ATOM 1896 CB VAL A1116 -28.641 -16.975 2.226 1.00 10.89 C ATOM 1897 CG1 VAL A1116 -28.411 -17.661 3.588 1.00 10.19 C ATOM 1898 CG2 VAL A1116 -27.325 -16.497 1.640 1.00 13.83 C ATOM 0 H VAL A1116 -30.584 -16.747 0.190 1.00 15.47 H new ATOM 0 HA VAL A1116 -28.787 -18.604 0.984 1.00 10.29 H new ATOM 0 HB VAL A1116 -29.202 -16.197 2.371 1.00 10.89 H new ATOM 0 HG11 VAL A1116 -27.933 -17.057 4.178 1.00 10.19 H new ATOM 0 HG12 VAL A1116 -29.266 -17.890 3.984 1.00 10.19 H new ATOM 0 HG13 VAL A1116 -27.888 -18.468 3.460 1.00 10.19 H new ATOM 0 HG21 VAL A1116 -26.877 -15.920 2.278 1.00 13.83 H new ATOM 0 HG22 VAL A1116 -26.761 -17.262 1.444 1.00 13.83 H new ATOM 0 HG23 VAL A1116 -27.495 -16.003 0.823 1.00 13.83 H new ATOM 1908 N ARG A1117 -30.632 -19.755 2.211 1.00 10.90 N ATOM 1909 CA ARG A1117 -31.688 -20.373 2.997 1.00 12.13 C ATOM 1910 C ARG A1117 -31.307 -20.333 4.477 1.00 13.80 C ATOM 1911 O ARG A1117 -30.253 -20.845 4.869 1.00 10.65 O ATOM 1912 CB ARG A1117 -31.913 -21.820 2.541 1.00 13.59 C ATOM 1913 CG ARG A1117 -32.923 -22.596 3.387 1.00 15.65 C ATOM 1914 CD ARG A1117 -34.343 -22.048 3.262 1.00 18.61 C ATOM 1915 NE ARG A1117 -35.268 -22.784 4.156 1.00 14.62 N ATOM 1916 CZ ARG A1117 -36.591 -22.697 4.130 1.00 18.37 C ATOM 1917 NH1 ARG A1117 -37.305 -23.411 4.995 1.00 15.73 N ATOM 1918 NH2 ARG A1117 -37.204 -21.882 3.278 1.00 14.93 N ATOM 0 H ARG A1117 -30.021 -20.300 1.948 1.00 10.90 H new ATOM 0 HA ARG A1117 -32.514 -19.882 2.867 1.00 12.13 H new ATOM 0 HB2 ARG A1117 -32.215 -21.814 1.619 1.00 13.59 H new ATOM 0 HB3 ARG A1117 -31.064 -22.289 2.558 1.00 13.59 H new ATOM 0 HG2 ARG A1117 -32.915 -23.528 3.118 1.00 15.65 H new ATOM 0 HG3 ARG A1117 -32.650 -22.567 4.317 1.00 15.65 H new ATOM 0 HD2 ARG A1117 -34.352 -21.104 3.486 1.00 18.61 H new ATOM 0 HD3 ARG A1117 -34.645 -22.124 2.343 1.00 18.61 H new ATOM 0 HE ARG A1117 -34.918 -23.310 4.739 1.00 14.62 H new ATOM 0 HH11 ARG A1117 -36.908 -23.921 5.562 1.00 15.73 H new ATOM 0 HH12 ARG A1117 -38.164 -23.362 4.987 1.00 15.73 H new ATOM 0 HH21 ARG A1117 -36.742 -21.402 2.734 1.00 14.93 H new ATOM 0 HH22 ARG A1117 -38.063 -21.834 3.271 1.00 14.93 H new ATOM 1932 N ARG A1118 -32.163 -19.758 5.303 1.00 10.42 N ATOM 1933 CA ARG A1118 -31.863 -19.734 6.724 1.00 9.90 C ATOM 1934 C ARG A1118 -31.889 -21.163 7.266 1.00 10.52 C ATOM 1935 O ARG A1118 -32.796 -21.938 6.946 1.00 9.25 O ATOM 1936 CB ARG A1118 -32.850 -18.836 7.462 1.00 8.87 C ATOM 1937 CG ARG A1118 -32.334 -18.438 8.822 1.00 10.98 C ATOM 1938 CD ARG A1118 -33.317 -17.597 9.578 1.00 10.93 C ATOM 1939 NE ARG A1118 -32.683 -17.119 10.791 1.00 12.19 N ATOM 1940 CZ ARG A1118 -33.027 -16.024 11.446 1.00 11.44 C ATOM 1941 NH1 ARG A1118 -34.030 -15.280 11.022 1.00 12.04 N ATOM 1942 NH2 ARG A1118 -32.362 -15.675 12.535 1.00 13.70 N ATOM 0 H ARG A1118 -32.903 -19.386 5.072 1.00 10.42 H new ATOM 0 HA ARG A1118 -30.977 -19.365 6.866 1.00 9.90 H new ATOM 0 HB2 ARG A1118 -33.020 -18.040 6.935 1.00 8.87 H new ATOM 0 HB3 ARG A1118 -33.697 -19.298 7.560 1.00 8.87 H new ATOM 0 HG2 ARG A1118 -32.132 -19.236 9.335 1.00 10.98 H new ATOM 0 HG3 ARG A1118 -31.503 -17.948 8.720 1.00 10.98 H new ATOM 0 HD2 ARG A1118 -33.608 -16.849 9.034 1.00 10.93 H new ATOM 0 HD3 ARG A1118 -34.108 -18.116 9.794 1.00 10.93 H new ATOM 0 HE ARG A1118 -32.033 -17.584 11.109 1.00 12.19 H new ATOM 0 HH11 ARG A1118 -34.465 -15.506 10.315 1.00 12.04 H new ATOM 0 HH12 ARG A1118 -34.249 -14.568 11.452 1.00 12.04 H new ATOM 0 HH21 ARG A1118 -31.709 -16.160 12.814 1.00 13.70 H new ATOM 0 HH22 ARG A1118 -32.583 -14.963 12.964 1.00 13.70 H new ATOM 1956 N ARG A1119 -30.858 -21.523 8.036 1.00 10.32 N ATOM 1957 CA ARG A1119 -30.702 -22.871 8.579 1.00 11.21 C ATOM 1958 C ARG A1119 -30.678 -22.905 10.099 1.00 13.85 C ATOM 1959 O ARG A1119 -30.611 -23.990 10.675 1.00 11.94 O ATOM 1960 CB ARG A1119 -29.418 -23.508 8.040 1.00 8.77 C ATOM 1961 CG ARG A1119 -29.382 -23.695 6.518 1.00 12.51 C ATOM 1962 CD ARG A1119 -30.467 -24.660 6.062 1.00 13.68 C ATOM 1963 NE ARG A1119 -30.291 -25.061 4.669 1.00 14.01 N ATOM 1964 CZ ARG A1119 -31.170 -25.794 4.005 1.00 23.52 C ATOM 1965 NH1 ARG A1119 -32.306 -26.149 4.602 1.00 21.83 N ATOM 1966 NH2 ARG A1119 -30.924 -26.151 2.747 1.00 17.66 N ATOM 0 H ARG A1119 -30.225 -20.985 8.258 1.00 10.32 H new ATOM 0 HA ARG A1119 -31.480 -23.374 8.292 1.00 11.21 H new ATOM 0 HB2 ARG A1119 -28.664 -22.958 8.303 1.00 8.77 H new ATOM 0 HB3 ARG A1119 -29.299 -24.373 8.462 1.00 8.77 H new ATOM 0 HG2 ARG A1119 -29.502 -22.838 6.080 1.00 12.51 H new ATOM 0 HG3 ARG A1119 -28.512 -24.031 6.250 1.00 12.51 H new ATOM 0 HD2 ARG A1119 -30.457 -25.448 6.628 1.00 13.68 H new ATOM 0 HD3 ARG A1119 -31.336 -24.243 6.171 1.00 13.68 H new ATOM 0 HE ARG A1119 -29.579 -24.808 4.259 1.00 14.01 H new ATOM 0 HH11 ARG A1119 -32.462 -25.902 5.411 1.00 21.83 H new ATOM 0 HH12 ARG A1119 -32.884 -26.625 4.179 1.00 21.83 H new ATOM 0 HH21 ARG A1119 -30.194 -25.905 2.365 1.00 17.66 H new ATOM 0 HH22 ARG A1119 -31.495 -26.627 2.316 1.00 17.66 H new ATOM 1980 N GLY A1120 -30.751 -21.755 10.754 1.00 10.76 N ATOM 1981 CA GLY A1120 -30.739 -21.690 12.194 1.00 10.41 C ATOM 1982 C GLY A1120 -30.813 -20.241 12.621 1.00 9.14 C ATOM 1983 O GLY A1120 -31.033 -19.340 11.802 1.00 12.28 O ATOM 0 H GLY A1120 -30.809 -20.989 10.368 1.00 10.76 H new ATOM 0 HA2 GLY A1120 -31.489 -22.186 12.558 1.00 10.41 H new ATOM 0 HA3 GLY A1120 -29.932 -22.101 12.541 1.00 10.41 H new ATOM 1987 N ASP A1121 -30.606 -20.016 13.906 1.00 9.14 N ATOM 1988 CA ASP A1121 -30.691 -18.642 14.391 1.00 8.83 C ATOM 1989 C ASP A1121 -29.636 -17.750 13.749 1.00 9.34 C ATOM 1990 O ASP A1121 -29.919 -16.585 13.453 1.00 10.01 O ATOM 1991 CB ASP A1121 -30.595 -18.583 15.912 1.00 10.12 C ATOM 1992 CG ASP A1121 -29.394 -19.320 16.505 1.00 10.77 C ATOM 1993 OD1 ASP A1121 -29.274 -19.288 17.744 1.00 17.96 O ATOM 1994 OD2 ASP A1121 -28.579 -19.915 15.793 1.00 14.30 O ATOM 0 H ASP A1121 -30.422 -20.614 14.497 1.00 9.14 H new ATOM 0 HA ASP A1121 -31.562 -18.303 14.130 1.00 8.83 H new ATOM 0 HB2 ASP A1121 -30.556 -17.653 16.186 1.00 10.12 H new ATOM 0 HB3 ASP A1121 -31.407 -18.956 16.290 1.00 10.12 H new ATOM 1999 N SER A1122 -28.440 -18.274 13.475 1.00 9.70 N ATOM 2000 CA ASER A1122 -27.340 -17.424 13.023 0.07 10.91 C ATOM 2001 CA BSER A1122 -27.337 -17.432 13.026 0.93 10.69 C ATOM 2002 C SER A1122 -26.593 -18.002 11.825 1.00 10.33 C ATOM 2003 O SER A1122 -25.446 -17.602 11.569 1.00 10.42 O ATOM 2004 CB ASER A1122 -26.357 -17.166 14.168 0.07 12.58 C ATOM 2005 CB BSER A1122 -26.368 -17.215 14.174 0.93 12.53 C ATOM 2006 OG ASER A1122 -26.965 -16.417 15.205 0.07 14.38 O ATOM 2007 OG BSER A1122 -25.831 -18.455 14.579 0.93 13.60 O ATOM 0 H ASER A1122 -28.247 -19.109 13.544 0.07 9.70 H new ATOM 0 H BSER A1122 -28.250 -19.110 13.543 0.93 9.70 H new ATOM 0 HA ASER A1122 -27.740 -16.588 12.736 0.07 10.69 H new ATOM 0 HA BSER A1122 -27.723 -16.590 12.739 0.93 10.69 H new ATOM 0 HB2ASER A1122 -26.038 -18.011 14.520 0.07 12.53 H new ATOM 0 HB2BSER A1122 -25.655 -16.617 13.899 0.93 12.53 H new ATOM 0 HB3ASER A1122 -25.583 -16.688 13.832 0.07 12.53 H new ATOM 0 HB3BSER A1122 -26.823 -16.790 14.918 0.93 12.53 H new ATOM 0 HG ASER A1122 -26.914 -16.844 15.927 0.07 13.60 H new ATOM 0 HG BSER A1122 -26.453 -18.964 14.823 0.93 13.60 H new ATOM 2018 N ARG A1123 -27.213 -18.914 11.079 1.00 10.22 N ATOM 2019 CA ARG A1123 -26.578 -19.570 9.944 1.00 10.67 C ATOM 2020 C ARG A1123 -27.525 -19.661 8.758 1.00 11.40 C ATOM 2021 O ARG A1123 -28.734 -19.799 8.921 1.00 11.01 O ATOM 2022 CB ARG A1123 -26.139 -20.986 10.286 1.00 15.44 C ATOM 2023 CG ARG A1123 -25.104 -21.067 11.364 1.00 21.19 C ATOM 2024 CD ARG A1123 -23.753 -20.554 10.908 1.00 25.46 C ATOM 2025 NE ARG A1123 -22.729 -20.683 11.953 1.00 26.54 N ATOM 2026 CZ ARG A1123 -21.895 -21.712 12.075 1.00 39.22 C ATOM 2027 NH1 ARG A1123 -21.944 -22.733 11.224 1.00 31.55 N ATOM 2028 NH2 ARG A1123 -21.010 -21.727 13.066 1.00 41.18 N ATOM 0 H ARG A1123 -28.022 -19.170 11.221 1.00 10.22 H new ATOM 0 HA ARG A1123 -25.805 -19.028 9.719 1.00 10.67 H new ATOM 0 HB2 ARG A1123 -26.917 -21.497 10.560 1.00 15.44 H new ATOM 0 HB3 ARG A1123 -25.790 -21.407 9.485 1.00 15.44 H new ATOM 0 HG2 ARG A1123 -25.400 -20.553 12.132 1.00 21.19 H new ATOM 0 HG3 ARG A1123 -25.016 -21.988 11.656 1.00 21.19 H new ATOM 0 HD2 ARG A1123 -23.472 -21.044 10.120 1.00 25.46 H new ATOM 0 HD3 ARG A1123 -23.833 -19.623 10.649 1.00 25.46 H new ATOM 0 HE ARG A1123 -22.664 -20.047 12.528 1.00 26.54 H new ATOM 0 HH11 ARG A1123 -22.520 -22.733 10.585 1.00 31.55 H new ATOM 0 HH12 ARG A1123 -21.400 -23.393 11.312 1.00 31.55 H new ATOM 0 HH21 ARG A1123 -20.979 -21.074 13.624 1.00 41.18 H new ATOM 0 HH22 ARG A1123 -20.469 -22.390 13.149 1.00 41.18 H new ATOM 2042 N GLY A1124 -26.950 -19.626 7.563 1.00 9.18 N ATOM 2043 CA GLY A1124 -27.707 -19.900 6.352 1.00 9.21 C ATOM 2044 C GLY A1124 -26.813 -20.496 5.298 1.00 10.98 C ATOM 2045 O GLY A1124 -25.608 -20.227 5.260 1.00 12.76 O ATOM 0 H GLY A1124 -26.120 -19.445 7.432 1.00 9.18 H new ATOM 0 HA2 GLY A1124 -28.435 -20.510 6.550 1.00 9.21 H new ATOM 0 HA3 GLY A1124 -28.106 -19.080 6.020 1.00 9.21 H new ATOM 2049 N SER A1125 -27.412 -21.295 4.415 1.00 10.97 N ATOM 2050 CA SER A1125 -26.673 -21.963 3.347 1.00 10.06 C ATOM 2051 C SER A1125 -26.784 -21.176 2.054 1.00 11.66 C ATOM 2052 O SER A1125 -27.835 -20.615 1.747 1.00 10.46 O ATOM 2053 CB SER A1125 -27.182 -23.397 3.149 1.00 15.87 C ATOM 2054 OG SER A1125 -28.577 -23.428 2.958 1.00 17.25 O ATOM 0 H SER A1125 -28.255 -21.464 4.419 1.00 10.97 H new ATOM 0 HA SER A1125 -25.738 -22.005 3.603 1.00 10.06 H new ATOM 0 HB2 SER A1125 -26.740 -23.795 2.383 1.00 15.87 H new ATOM 0 HB3 SER A1125 -26.948 -23.934 3.922 1.00 15.87 H new ATOM 0 HG SER A1125 -28.751 -23.781 2.216 1.00 17.25 H new ATOM 2060 N LEU A1126 -25.684 -21.105 1.307 1.00 12.56 N ATOM 2061 CA LEU A1126 -25.745 -20.517 -0.021 1.00 11.56 C ATOM 2062 C LEU A1126 -26.426 -21.491 -0.959 1.00 13.06 C ATOM 2063 O LEU A1126 -26.114 -22.678 -0.956 1.00 16.26 O ATOM 2064 CB LEU A1126 -24.352 -20.219 -0.562 1.00 17.21 C ATOM 2065 CG LEU A1126 -23.677 -18.927 -0.126 1.00 26.46 C ATOM 2066 CD1 LEU A1126 -23.444 -19.015 1.281 1.00 19.25 C ATOM 2067 CD2 LEU A1126 -22.336 -18.768 -0.866 1.00 22.81 C ATOM 0 H LEU A1126 -24.908 -21.387 1.548 1.00 12.56 H new ATOM 0 HA LEU A1126 -26.240 -19.685 0.039 1.00 11.56 H new ATOM 0 HB2 LEU A1126 -23.773 -20.956 -0.312 1.00 17.21 H new ATOM 0 HB3 LEU A1126 -24.404 -20.215 -1.531 1.00 17.21 H new ATOM 0 HG LEU A1126 -24.236 -18.162 -0.332 1.00 26.46 H new ATOM 0 HD11 LEU A1126 -23.013 -18.203 1.589 1.00 19.25 H new ATOM 0 HD12 LEU A1126 -24.290 -19.127 1.743 1.00 19.25 H new ATOM 0 HD13 LEU A1126 -22.871 -19.775 1.467 1.00 19.25 H new ATOM 0 HD21 LEU A1126 -21.908 -17.944 -0.586 1.00 22.81 H new ATOM 0 HD22 LEU A1126 -21.759 -19.519 -0.656 1.00 22.81 H new ATOM 0 HD23 LEU A1126 -22.495 -18.741 -1.822 1.00 22.81 H new ATOM 2079 N LEU A1127 -27.360 -21.000 -1.762 1.00 15.37 N ATOM 2080 CA LEU A1127 -27.967 -21.907 -2.724 1.00 16.08 C ATOM 2081 C LEU A1127 -26.950 -22.349 -3.754 1.00 20.21 C ATOM 2082 O LEU A1127 -27.018 -23.478 -4.238 1.00 18.47 O ATOM 2083 CB LEU A1127 -29.167 -21.252 -3.387 1.00 16.80 C ATOM 2084 CG LEU A1127 -30.435 -21.385 -2.541 1.00 18.62 C ATOM 2085 CD1 LEU A1127 -30.297 -20.798 -1.154 1.00 18.95 C ATOM 2086 CD2 LEU A1127 -31.610 -20.744 -3.251 1.00 24.12 C ATOM 0 H LEU A1127 -27.645 -20.189 -1.770 1.00 15.37 H new ATOM 0 HA LEU A1127 -28.277 -22.696 -2.252 1.00 16.08 H new ATOM 0 HB2 LEU A1127 -28.978 -20.313 -3.539 1.00 16.80 H new ATOM 0 HB3 LEU A1127 -29.316 -21.656 -4.256 1.00 16.80 H new ATOM 0 HG LEU A1127 -30.588 -22.336 -2.430 1.00 18.62 H new ATOM 0 HD11 LEU A1127 -31.129 -20.913 -0.670 1.00 18.95 H new ATOM 0 HD12 LEU A1127 -29.582 -21.252 -0.680 1.00 18.95 H new ATOM 0 HD13 LEU A1127 -30.090 -19.853 -1.222 1.00 18.95 H new ATOM 0 HD21 LEU A1127 -32.407 -20.835 -2.705 1.00 24.12 H new ATOM 0 HD22 LEU A1127 -31.425 -19.803 -3.399 1.00 24.12 H new ATOM 0 HD23 LEU A1127 -31.751 -21.183 -4.104 1.00 24.12 H new ATOM 2098 N SER A1128 -25.999 -21.484 -4.089 1.00 17.66 N ATOM 2099 CA SER A1128 -24.882 -21.846 -4.961 1.00 24.72 C ATOM 2100 C SER A1128 -23.587 -21.514 -4.241 1.00 19.99 C ATOM 2101 O SER A1128 -23.269 -20.317 -4.093 1.00 24.87 O ATOM 2102 CB SER A1128 -24.944 -21.096 -6.288 1.00 22.27 C ATOM 2103 OG SER A1128 -26.264 -21.085 -6.793 1.00 27.60 O ATOM 0 H SER A1128 -25.981 -20.668 -3.817 1.00 17.66 H new ATOM 0 HA SER A1128 -24.930 -22.794 -5.160 1.00 24.72 H new ATOM 0 HB2 SER A1128 -24.632 -20.186 -6.166 1.00 22.27 H new ATOM 0 HB3 SER A1128 -24.350 -21.516 -6.930 1.00 22.27 H new ATOM 0 HG SER A1128 -26.684 -20.436 -6.465 1.00 27.60 H new ATOM 2109 N PRO A1129 -22.798 -22.506 -3.838 1.00 21.04 N ATOM 2110 CA PRO A1129 -21.545 -22.218 -3.130 1.00 23.05 C ATOM 2111 C PRO A1129 -20.584 -21.381 -3.963 1.00 20.00 C ATOM 2112 O PRO A1129 -20.602 -21.410 -5.196 1.00 19.20 O ATOM 2113 CB PRO A1129 -20.966 -23.608 -2.855 1.00 22.76 C ATOM 2114 CG PRO A1129 -22.173 -24.514 -2.863 1.00 32.99 C ATOM 2115 CD PRO A1129 -23.054 -23.955 -3.929 1.00 28.98 C ATOM 0 HA PRO A1129 -21.692 -21.694 -2.327 1.00 23.05 H new ATOM 0 HB2 PRO A1129 -20.324 -23.866 -3.534 1.00 22.76 H new ATOM 0 HB3 PRO A1129 -20.505 -23.638 -2.002 1.00 22.76 H new ATOM 0 HG2 PRO A1129 -21.924 -25.432 -3.056 1.00 32.99 H new ATOM 0 HG3 PRO A1129 -22.619 -24.516 -2.002 1.00 32.99 H new ATOM 0 HD2 PRO A1129 -22.827 -24.306 -4.804 1.00 28.98 H new ATOM 0 HD3 PRO A1129 -23.988 -24.166 -3.772 1.00 28.98 H new ATOM 2123 N ARG A1130 -19.712 -20.657 -3.261 1.00 19.01 N ATOM 2124 CA ARG A1130 -18.787 -19.709 -3.859 1.00 18.81 C ATOM 2125 C ARG A1130 -17.442 -19.855 -3.175 1.00 17.31 C ATOM 2126 O ARG A1130 -17.383 -20.146 -1.975 1.00 16.68 O ATOM 2127 CB ARG A1130 -19.244 -18.246 -3.702 1.00 26.68 C ATOM 2128 CG ARG A1130 -20.636 -17.885 -4.201 1.00 30.91 C ATOM 2129 CD ARG A1130 -20.827 -18.122 -5.672 1.00 36.10 C ATOM 2130 NE ARG A1130 -21.728 -17.143 -6.287 1.00 40.88 N ATOM 2131 CZ ARG A1130 -23.032 -17.008 -6.030 1.00 46.96 C ATOM 2132 NH1 ARG A1130 -23.657 -17.776 -5.131 1.00 42.30 N ATOM 2133 NH2 ARG A1130 -23.724 -16.076 -6.675 1.00 44.93 N ATOM 0 H ARG A1130 -19.644 -20.708 -2.405 1.00 19.01 H new ATOM 0 HA ARG A1130 -18.742 -19.907 -4.808 1.00 18.81 H new ATOM 0 HB2 ARG A1130 -19.195 -18.017 -2.761 1.00 26.68 H new ATOM 0 HB3 ARG A1130 -18.605 -17.682 -4.165 1.00 26.68 H new ATOM 0 HG2 ARG A1130 -21.292 -18.403 -3.710 1.00 30.91 H new ATOM 0 HG3 ARG A1130 -20.809 -16.951 -4.006 1.00 30.91 H new ATOM 0 HD2 ARG A1130 -19.965 -18.088 -6.116 1.00 36.10 H new ATOM 0 HD3 ARG A1130 -21.182 -19.014 -5.809 1.00 36.10 H new ATOM 0 HE ARG A1130 -21.386 -16.607 -6.866 1.00 40.88 H new ATOM 0 HH11 ARG A1130 -23.218 -18.377 -4.700 1.00 42.30 H new ATOM 0 HH12 ARG A1130 -24.498 -17.669 -4.984 1.00 42.30 H new ATOM 0 HH21 ARG A1130 -23.332 -15.570 -7.249 1.00 44.93 H new ATOM 0 HH22 ARG A1130 -24.564 -15.979 -6.519 1.00 44.93 H new ATOM 2147 N PRO A1131 -16.344 -19.658 -3.902 1.00 14.08 N ATOM 2148 CA PRO A1131 -15.046 -19.587 -3.230 1.00 12.54 C ATOM 2149 C PRO A1131 -15.079 -18.448 -2.221 1.00 11.97 C ATOM 2150 O PRO A1131 -15.774 -17.444 -2.405 1.00 16.42 O ATOM 2151 CB PRO A1131 -14.056 -19.323 -4.368 1.00 14.66 C ATOM 2152 CG PRO A1131 -14.875 -18.764 -5.481 1.00 27.88 C ATOM 2153 CD PRO A1131 -16.240 -19.381 -5.350 1.00 23.21 C ATOM 0 HA PRO A1131 -14.806 -20.386 -2.736 1.00 12.54 H new ATOM 0 HB2 PRO A1131 -13.366 -18.699 -4.094 1.00 14.66 H new ATOM 0 HB3 PRO A1131 -13.608 -20.140 -4.639 1.00 14.66 H new ATOM 0 HG2 PRO A1131 -14.925 -17.797 -5.422 1.00 27.88 H new ATOM 0 HG3 PRO A1131 -14.480 -18.976 -6.341 1.00 27.88 H new ATOM 0 HD2 PRO A1131 -16.937 -18.777 -5.651 1.00 23.21 H new ATOM 0 HD3 PRO A1131 -16.320 -20.191 -5.877 1.00 23.21 H new ATOM 2161 N ILE A1132 -14.318 -18.599 -1.148 1.00 14.11 N ATOM 2162 CA ILE A1132 -14.382 -17.585 -0.092 1.00 14.61 C ATOM 2163 C ILE A1132 -13.889 -16.232 -0.587 1.00 17.90 C ATOM 2164 O ILE A1132 -14.261 -15.191 -0.031 1.00 13.51 O ATOM 2165 CB ILE A1132 -13.619 -18.033 1.168 1.00 15.04 C ATOM 2166 CG1 ILE A1132 -12.189 -18.480 0.869 1.00 15.39 C ATOM 2167 CG2 ILE A1132 -14.397 -19.157 1.874 1.00 21.64 C ATOM 2168 CD1 ILE A1132 -11.353 -18.784 2.144 1.00 19.23 C ATOM 0 H ILE A1132 -13.776 -19.252 -1.008 1.00 14.11 H new ATOM 0 HA ILE A1132 -15.315 -17.483 0.154 1.00 14.61 H new ATOM 0 HB ILE A1132 -13.550 -17.262 1.753 1.00 15.04 H new ATOM 0 HG12 ILE A1132 -12.216 -19.274 0.312 1.00 15.39 H new ATOM 0 HG13 ILE A1132 -11.743 -17.788 0.356 1.00 15.39 H new ATOM 0 HG21 ILE A1132 -13.914 -19.437 2.667 1.00 21.64 H new ATOM 0 HG22 ILE A1132 -15.275 -18.833 2.129 1.00 21.64 H new ATOM 0 HG23 ILE A1132 -14.494 -19.911 1.272 1.00 21.64 H new ATOM 0 HD11 ILE A1132 -10.460 -19.061 1.887 1.00 19.23 H new ATOM 0 HD12 ILE A1132 -11.298 -17.986 2.693 1.00 19.23 H new ATOM 0 HD13 ILE A1132 -11.779 -19.495 2.649 1.00 19.23 H new ATOM 2180 N SER A1133 -13.068 -16.231 -1.640 1.00 13.38 N ATOM 2181 CA SER A1133 -12.601 -14.999 -2.279 1.00 12.61 C ATOM 2182 C SER A1133 -13.756 -14.080 -2.628 1.00 16.56 C ATOM 2183 O SER A1133 -13.624 -12.852 -2.613 1.00 13.57 O ATOM 2184 CB SER A1133 -11.843 -15.372 -3.552 1.00 12.65 C ATOM 2185 OG SER A1133 -10.921 -16.410 -3.293 1.00 19.04 O ATOM 0 H SER A1133 -12.765 -16.949 -2.005 1.00 13.38 H new ATOM 0 HA SER A1133 -12.024 -14.525 -1.660 1.00 12.61 H new ATOM 0 HB2 SER A1133 -12.469 -15.652 -4.238 1.00 12.65 H new ATOM 0 HB3 SER A1133 -11.375 -14.595 -3.896 1.00 12.65 H new ATOM 0 HG SER A1133 -10.513 -16.606 -4.001 1.00 19.04 H new ATOM 2191 N TYR A1134 -14.874 -14.683 -3.023 1.00 11.15 N ATOM 2192 CA TYR A1134 -16.066 -13.972 -3.444 1.00 12.90 C ATOM 2193 C TYR A1134 -16.707 -13.224 -2.292 1.00 15.11 C ATOM 2194 O TYR A1134 -17.369 -12.206 -2.505 1.00 14.95 O ATOM 2195 CB TYR A1134 -17.030 -15.000 -3.997 1.00 15.26 C ATOM 2196 CG TYR A1134 -18.197 -14.522 -4.817 1.00 24.83 C ATOM 2197 CD1 TYR A1134 -18.023 -14.184 -6.152 1.00 33.81 C ATOM 2198 CD2 TYR A1134 -19.496 -14.504 -4.296 1.00 31.36 C ATOM 2199 CE1 TYR A1134 -19.089 -13.792 -6.938 1.00 35.06 C ATOM 2200 CE2 TYR A1134 -20.587 -14.109 -5.099 1.00 30.36 C ATOM 2201 CZ TYR A1134 -20.363 -13.759 -6.411 1.00 32.25 C ATOM 2202 OH TYR A1134 -21.409 -13.365 -7.220 1.00 43.25 O ATOM 0 H TYR A1134 -14.958 -15.538 -3.053 1.00 11.15 H new ATOM 0 HA TYR A1134 -15.833 -13.311 -4.114 1.00 12.90 H new ATOM 0 HB2 TYR A1134 -16.520 -15.619 -4.543 1.00 15.26 H new ATOM 0 HB3 TYR A1134 -17.383 -15.506 -3.248 1.00 15.26 H new ATOM 0 HD1 TYR A1134 -17.172 -14.222 -6.525 1.00 33.81 H new ATOM 0 HD2 TYR A1134 -19.641 -14.755 -3.412 1.00 31.36 H new ATOM 0 HE1 TYR A1134 -18.947 -13.550 -7.825 1.00 35.06 H new ATOM 0 HE2 TYR A1134 -21.447 -14.085 -4.746 1.00 30.36 H new ATOM 0 HH TYR A1134 -22.126 -13.389 -6.783 1.00 43.25 H new ATOM 2212 N LEU A1135 -16.545 -13.730 -1.075 1.00 10.35 N ATOM 2213 CA LEU A1135 -17.238 -13.178 0.078 1.00 9.38 C ATOM 2214 C LEU A1135 -16.347 -12.283 0.912 1.00 9.86 C ATOM 2215 O LEU A1135 -16.865 -11.467 1.682 1.00 10.00 O ATOM 2216 CB LEU A1135 -17.785 -14.312 0.963 1.00 11.30 C ATOM 2217 CG LEU A1135 -18.827 -15.220 0.303 1.00 10.92 C ATOM 2218 CD1 LEU A1135 -19.256 -16.361 1.246 1.00 13.07 C ATOM 2219 CD2 LEU A1135 -20.029 -14.417 -0.149 1.00 17.44 C ATOM 0 H LEU A1135 -16.034 -14.398 -0.896 1.00 10.35 H new ATOM 0 HA LEU A1135 -17.968 -12.638 -0.264 1.00 9.38 H new ATOM 0 HB2 LEU A1135 -17.040 -14.860 1.256 1.00 11.30 H new ATOM 0 HB3 LEU A1135 -18.178 -13.919 1.758 1.00 11.30 H new ATOM 0 HG LEU A1135 -18.416 -15.622 -0.478 1.00 10.92 H new ATOM 0 HD11 LEU A1135 -19.915 -16.918 0.802 1.00 13.07 H new ATOM 0 HD12 LEU A1135 -18.482 -16.898 1.477 1.00 13.07 H new ATOM 0 HD13 LEU A1135 -19.642 -15.986 2.053 1.00 13.07 H new ATOM 0 HD21 LEU A1135 -20.676 -15.009 -0.564 1.00 17.44 H new ATOM 0 HD22 LEU A1135 -20.434 -13.981 0.617 1.00 17.44 H new ATOM 0 HD23 LEU A1135 -19.748 -13.746 -0.790 1.00 17.44 H new ATOM 2231 N LYS A1136 -15.028 -12.422 0.763 1.00 10.71 N ATOM 2232 CA LYS A1136 -14.075 -11.639 1.522 1.00 9.71 C ATOM 2233 C LYS A1136 -14.315 -10.156 1.299 1.00 9.44 C ATOM 2234 O LYS A1136 -14.444 -9.695 0.162 1.00 11.02 O ATOM 2235 CB LYS A1136 -12.642 -12.028 1.122 1.00 12.37 C ATOM 2236 CG LYS A1136 -11.551 -11.349 1.930 1.00 15.37 C ATOM 2237 CD LYS A1136 -10.164 -11.722 1.427 1.00 14.99 C ATOM 2238 CE LYS A1136 -9.058 -11.070 2.245 1.00 21.66 C ATOM 2239 NZ LYS A1136 -9.032 -9.584 2.083 1.00 21.05 N ATOM 0 H LYS A1136 -14.667 -12.978 0.214 1.00 10.71 H new ATOM 0 HA LYS A1136 -14.193 -11.825 2.467 1.00 9.71 H new ATOM 0 HB2 LYS A1136 -12.544 -12.989 1.212 1.00 12.37 H new ATOM 0 HB3 LYS A1136 -12.512 -11.816 0.184 1.00 12.37 H new ATOM 0 HG2 LYS A1136 -11.665 -10.387 1.883 1.00 15.37 H new ATOM 0 HG3 LYS A1136 -11.635 -11.600 2.863 1.00 15.37 H new ATOM 0 HD2 LYS A1136 -10.060 -12.686 1.457 1.00 14.99 H new ATOM 0 HD3 LYS A1136 -10.077 -11.456 0.498 1.00 14.99 H new ATOM 0 HE2 LYS A1136 -9.180 -11.289 3.182 1.00 21.66 H new ATOM 0 HE3 LYS A1136 -8.201 -11.437 1.977 1.00 21.66 H new ATOM 0 HZ1 LYS A1136 -8.279 -9.261 2.429 1.00 21.05 H new ATOM 0 HZ2 LYS A1136 -9.073 -9.379 1.218 1.00 21.05 H new ATOM 0 HZ3 LYS A1136 -9.729 -9.227 2.505 1.00 21.05 H new ATOM 2253 N GLY A1137 -14.403 -9.410 2.398 1.00 8.29 N ATOM 2254 CA GLY A1137 -14.651 -7.984 2.356 1.00 10.77 C ATOM 2255 C GLY A1137 -16.109 -7.593 2.444 1.00 9.93 C ATOM 2256 O GLY A1137 -16.426 -6.406 2.329 1.00 9.77 O ATOM 0 H GLY A1137 -14.319 -9.726 3.193 1.00 8.29 H new ATOM 0 HA2 GLY A1137 -14.171 -7.563 3.086 1.00 10.77 H new ATOM 0 HA3 GLY A1137 -14.283 -7.628 1.532 1.00 10.77 H new ATOM 2260 N SER A1138 -17.008 -8.549 2.642 1.00 6.13 N ATOM 2261 CA SER A1138 -18.428 -8.268 2.718 1.00 8.33 C ATOM 2262 C SER A1138 -18.983 -8.413 4.122 1.00 10.93 C ATOM 2263 O SER A1138 -20.185 -8.207 4.309 1.00 7.13 O ATOM 2264 CB SER A1138 -19.207 -9.180 1.763 1.00 14.21 C ATOM 2265 OG SER A1138 -18.896 -8.880 0.406 1.00 9.26 O ATOM 0 H SER A1138 -16.808 -9.380 2.736 1.00 6.13 H new ATOM 0 HA SER A1138 -18.539 -7.341 2.455 1.00 8.33 H new ATOM 0 HB2 SER A1138 -18.994 -10.108 1.950 1.00 14.21 H new ATOM 0 HB3 SER A1138 -20.159 -9.072 1.912 1.00 14.21 H new ATOM 0 HG SER A1138 -18.116 -9.138 0.233 1.00 9.26 H new ATOM 2271 N SER A1139 -18.159 -8.757 5.110 1.00 8.58 N ATOM 2272 CA SER A1139 -18.642 -8.725 6.480 1.00 8.80 C ATOM 2273 C SER A1139 -19.164 -7.329 6.809 1.00 10.97 C ATOM 2274 O SER A1139 -18.659 -6.310 6.332 1.00 9.19 O ATOM 2275 CB SER A1139 -17.561 -9.138 7.488 1.00 8.41 C ATOM 2276 OG SER A1139 -16.520 -8.170 7.622 1.00 9.63 O ATOM 0 H SER A1139 -17.341 -9.004 5.010 1.00 8.58 H new ATOM 0 HA SER A1139 -19.362 -9.371 6.553 1.00 8.80 H new ATOM 0 HB2 SER A1139 -17.973 -9.284 8.354 1.00 8.41 H new ATOM 0 HB3 SER A1139 -17.175 -9.984 7.211 1.00 8.41 H new ATOM 0 HG SER A1139 -15.937 -8.301 7.031 1.00 9.63 H new ATOM 2282 N GLY A1140 -20.180 -7.289 7.664 1.00 9.89 N ATOM 2283 CA GLY A1140 -20.882 -6.066 7.920 1.00 8.61 C ATOM 2284 C GLY A1140 -22.039 -5.790 6.994 1.00 10.80 C ATOM 2285 O GLY A1140 -22.824 -4.871 7.276 1.00 11.27 O ATOM 0 H GLY A1140 -20.471 -7.969 8.103 1.00 9.89 H new ATOM 0 HA2 GLY A1140 -21.212 -6.083 8.832 1.00 8.61 H new ATOM 0 HA3 GLY A1140 -20.254 -5.329 7.859 1.00 8.61 H new ATOM 2289 N GLY A1141 -22.167 -6.535 5.894 1.00 8.35 N ATOM 2290 CA GLY A1141 -23.291 -6.387 4.995 1.00 11.63 C ATOM 2291 C GLY A1141 -24.522 -7.123 5.479 1.00 8.32 C ATOM 2292 O GLY A1141 -24.486 -7.947 6.393 1.00 11.11 O ATOM 0 H GLY A1141 -21.601 -7.137 5.656 1.00 8.35 H new ATOM 0 HA2 GLY A1141 -23.500 -5.445 4.895 1.00 11.63 H new ATOM 0 HA3 GLY A1141 -23.045 -6.718 4.117 1.00 11.63 H new ATOM 2296 N PRO A1142 -25.653 -6.839 4.841 1.00 8.85 N ATOM 2297 CA PRO A1142 -26.924 -7.394 5.309 1.00 10.58 C ATOM 2298 C PRO A1142 -27.302 -8.727 4.689 1.00 11.10 C ATOM 2299 O PRO A1142 -26.953 -9.058 3.549 1.00 9.93 O ATOM 2300 CB PRO A1142 -27.940 -6.332 4.868 1.00 9.80 C ATOM 2301 CG PRO A1142 -27.352 -5.846 3.588 1.00 11.71 C ATOM 2302 CD PRO A1142 -25.847 -5.864 3.765 1.00 11.05 C ATOM 0 HA PRO A1142 -26.884 -7.575 6.261 1.00 10.58 H new ATOM 0 HB2 PRO A1142 -28.825 -6.708 4.740 1.00 9.80 H new ATOM 0 HB3 PRO A1142 -28.026 -5.620 5.521 1.00 9.80 H new ATOM 0 HG2 PRO A1142 -27.619 -6.415 2.849 1.00 11.71 H new ATOM 0 HG3 PRO A1142 -27.664 -4.951 3.384 1.00 11.71 H new ATOM 0 HD2 PRO A1142 -25.393 -6.132 2.951 1.00 11.05 H new ATOM 0 HD3 PRO A1142 -25.503 -4.990 4.006 1.00 11.05 H new ATOM 2310 N LEU A1143 -28.027 -9.496 5.489 1.00 8.63 N ATOM 2311 CA LEU A1143 -28.936 -10.505 4.980 1.00 9.66 C ATOM 2312 C LEU A1143 -30.336 -9.920 5.083 1.00 10.62 C ATOM 2313 O LEU A1143 -30.712 -9.367 6.125 1.00 9.81 O ATOM 2314 CB LEU A1143 -28.836 -11.817 5.761 1.00 13.23 C ATOM 2315 CG LEU A1143 -27.564 -12.610 5.454 1.00 19.00 C ATOM 2316 CD1 LEU A1143 -26.434 -12.101 6.305 1.00 13.86 C ATOM 2317 CD2 LEU A1143 -27.791 -14.056 5.681 1.00 23.22 C ATOM 0 H LEU A1143 -28.004 -9.445 6.347 1.00 8.63 H new ATOM 0 HA LEU A1143 -28.710 -10.725 4.063 1.00 9.66 H new ATOM 0 HB2 LEU A1143 -28.867 -11.624 6.711 1.00 13.23 H new ATOM 0 HB3 LEU A1143 -29.609 -12.367 5.558 1.00 13.23 H new ATOM 0 HG LEU A1143 -27.328 -12.489 4.521 1.00 19.00 H new ATOM 0 HD11 LEU A1143 -25.629 -12.605 6.109 1.00 13.86 H new ATOM 0 HD12 LEU A1143 -26.282 -11.162 6.114 1.00 13.86 H new ATOM 0 HD13 LEU A1143 -26.661 -12.207 7.242 1.00 13.86 H new ATOM 0 HD21 LEU A1143 -26.978 -14.546 5.483 1.00 23.22 H new ATOM 0 HD22 LEU A1143 -28.040 -14.203 6.607 1.00 23.22 H new ATOM 0 HD23 LEU A1143 -28.505 -14.367 5.102 1.00 23.22 H new ATOM 2329 N LEU A1144 -31.081 -10.008 3.995 1.00 10.09 N ATOM 2330 CA LEU A1144 -32.415 -9.438 3.879 1.00 10.28 C ATOM 2331 C LEU A1144 -33.447 -10.532 3.605 1.00 13.38 C ATOM 2332 O LEU A1144 -33.118 -11.599 3.087 1.00 14.55 O ATOM 2333 CB LEU A1144 -32.464 -8.401 2.744 1.00 12.10 C ATOM 2334 CG LEU A1144 -31.370 -7.342 2.684 1.00 15.83 C ATOM 2335 CD1 LEU A1144 -31.312 -6.709 1.335 1.00 26.90 C ATOM 2336 CD2 LEU A1144 -31.660 -6.323 3.717 1.00 19.36 C ATOM 0 H LEU A1144 -30.819 -10.412 3.282 1.00 10.09 H new ATOM 0 HA LEU A1144 -32.626 -9.003 4.720 1.00 10.28 H new ATOM 0 HB2 LEU A1144 -32.455 -8.883 1.902 1.00 12.10 H new ATOM 0 HB3 LEU A1144 -33.317 -7.942 2.799 1.00 12.10 H new ATOM 0 HG LEU A1144 -30.508 -7.754 2.849 1.00 15.83 H new ATOM 0 HD11 LEU A1144 -30.610 -6.040 1.321 1.00 26.90 H new ATOM 0 HD12 LEU A1144 -31.125 -7.387 0.667 1.00 26.90 H new ATOM 0 HD13 LEU A1144 -32.163 -6.288 1.138 1.00 26.90 H new ATOM 0 HD21 LEU A1144 -30.974 -5.637 3.697 1.00 19.36 H new ATOM 0 HD22 LEU A1144 -32.525 -5.920 3.541 1.00 19.36 H new ATOM 0 HD23 LEU A1144 -31.671 -6.743 4.592 1.00 19.36 H new ATOM 2348 N CYS A1145 -34.698 -10.259 3.966 1.00 10.11 N ATOM 2349 CA CYS A1145 -35.824 -11.110 3.597 1.00 12.77 C ATOM 2350 C CYS A1145 -36.350 -10.689 2.232 1.00 12.54 C ATOM 2351 O CYS A1145 -35.897 -9.696 1.644 1.00 11.77 O ATOM 2352 CB CYS A1145 -36.912 -11.021 4.658 1.00 9.95 C ATOM 2353 SG CYS A1145 -37.941 -9.540 4.558 1.00 12.05 S ATOM 0 H CYS A1145 -34.918 -9.572 4.434 1.00 10.11 H new ATOM 0 HA CYS A1145 -35.534 -12.034 3.543 1.00 12.77 H new ATOM 0 HB2 CYS A1145 -37.482 -11.802 4.586 1.00 9.95 H new ATOM 0 HB3 CYS A1145 -36.496 -11.053 5.534 1.00 9.95 H new ATOM 2358 N PRO A1146 -37.308 -11.441 1.686 1.00 14.66 N ATOM 2359 CA PRO A1146 -37.851 -11.090 0.362 1.00 15.35 C ATOM 2360 C PRO A1146 -38.386 -9.682 0.289 1.00 12.08 C ATOM 2361 O PRO A1146 -38.339 -9.050 -0.779 1.00 18.88 O ATOM 2362 CB PRO A1146 -38.971 -12.127 0.169 1.00 14.44 C ATOM 2363 CG PRO A1146 -38.538 -13.297 0.989 1.00 12.69 C ATOM 2364 CD PRO A1146 -37.926 -12.665 2.222 1.00 13.48 C ATOM 0 HA PRO A1146 -37.170 -11.110 -0.329 1.00 15.35 H new ATOM 0 HB2 PRO A1146 -39.827 -11.783 0.468 1.00 14.44 H new ATOM 0 HB3 PRO A1146 -39.073 -12.368 -0.765 1.00 14.44 H new ATOM 0 HG2 PRO A1146 -39.287 -13.869 1.217 1.00 12.69 H new ATOM 0 HG3 PRO A1146 -37.895 -13.847 0.514 1.00 12.69 H new ATOM 0 HD2 PRO A1146 -38.596 -12.466 2.895 1.00 13.48 H new ATOM 0 HD3 PRO A1146 -37.271 -13.247 2.638 1.00 13.48 H new ATOM 2372 N ALA A1147 -38.892 -9.170 1.398 1.00 13.14 N ATOM 2373 CA ALA A1147 -39.470 -7.836 1.459 1.00 13.81 C ATOM 2374 C ALA A1147 -38.438 -6.750 1.729 1.00 17.76 C ATOM 2375 O ALA A1147 -38.800 -5.574 1.808 1.00 17.42 O ATOM 2376 CB ALA A1147 -40.544 -7.793 2.527 1.00 15.51 C ATOM 0 H ALA A1147 -38.911 -9.591 2.147 1.00 13.14 H new ATOM 0 HA ALA A1147 -39.851 -7.654 0.586 1.00 13.81 H new ATOM 0 HB1 ALA A1147 -40.927 -6.903 2.565 1.00 15.51 H new ATOM 0 HB2 ALA A1147 -41.239 -8.435 2.313 1.00 15.51 H new ATOM 0 HB3 ALA A1147 -40.154 -8.014 3.387 1.00 15.51 H new ATOM 2382 N GLY A1148 -37.173 -7.100 1.866 1.00 15.93 N ATOM 2383 CA GLY A1148 -36.144 -6.090 2.007 1.00 17.17 C ATOM 2384 C GLY A1148 -35.908 -5.652 3.429 1.00 16.11 C ATOM 2385 O GLY A1148 -35.234 -4.634 3.640 1.00 14.81 O ATOM 0 H GLY A1148 -36.890 -7.912 1.880 1.00 15.93 H new ATOM 0 HA2 GLY A1148 -35.314 -6.434 1.642 1.00 17.17 H new ATOM 0 HA3 GLY A1148 -36.388 -5.316 1.476 1.00 17.17 H new ATOM 2389 N HIS A1149 -36.465 -6.370 4.400 1.00 11.86 N ATOM 2390 CA HIS A1149 -36.151 -6.153 5.803 1.00 12.97 C ATOM 2391 C HIS A1149 -34.780 -6.722 6.137 1.00 11.00 C ATOM 2392 O HIS A1149 -34.343 -7.708 5.541 1.00 10.77 O ATOM 2393 CB HIS A1149 -37.163 -6.829 6.711 1.00 13.92 C ATOM 2394 CG HIS A1149 -38.586 -6.489 6.422 1.00 15.43 C ATOM 2395 ND1 HIS A1149 -39.599 -7.412 6.566 1.00 16.99 N ATOM 2396 CD2 HIS A1149 -39.178 -5.327 6.063 1.00 16.71 C ATOM 2397 CE1 HIS A1149 -40.754 -6.835 6.288 1.00 18.82 C ATOM 2398 NE2 HIS A1149 -40.527 -5.569 5.986 1.00 19.01 N ATOM 0 H HIS A1149 -37.036 -6.997 4.261 1.00 11.86 H new ATOM 0 HA HIS A1149 -36.169 -5.194 5.949 1.00 12.97 H new ATOM 0 HB2 HIS A1149 -37.052 -7.790 6.639 1.00 13.92 H new ATOM 0 HB3 HIS A1149 -36.966 -6.588 7.630 1.00 13.92 H new ATOM 0 HD2 HIS A1149 -38.752 -4.517 5.899 1.00 16.71 H new ATOM 0 HE1 HIS A1149 -41.586 -7.250 6.302 1.00 18.82 H new ATOM 0 HE2 HIS A1149 -41.127 -4.990 5.775 1.00 19.01 H new ATOM 2406 N ALA A1150 -34.126 -6.122 7.139 1.00 11.07 N ATOM 2407 CA ALA A1150 -32.864 -6.661 7.660 1.00 9.89 C ATOM 2408 C ALA A1150 -33.132 -7.874 8.547 1.00 7.94 C ATOM 2409 O ALA A1150 -33.883 -7.789 9.524 1.00 8.56 O ATOM 2410 CB ALA A1150 -32.105 -5.584 8.436 1.00 12.05 C ATOM 0 H ALA A1150 -34.396 -5.405 7.529 1.00 11.07 H new ATOM 0 HA ALA A1150 -32.315 -6.943 6.912 1.00 9.89 H new ATOM 0 HB1 ALA A1150 -31.274 -5.953 8.774 1.00 12.05 H new ATOM 0 HB2 ALA A1150 -31.911 -4.837 7.848 1.00 12.05 H new ATOM 0 HB3 ALA A1150 -32.648 -5.277 9.179 1.00 12.05 H new ATOM 2416 N VAL A1151 -32.509 -8.998 8.213 1.00 11.22 N ATOM 2417 CA VAL A1151 -32.558 -10.213 9.018 1.00 11.30 C ATOM 2418 C VAL A1151 -31.278 -10.416 9.822 1.00 10.81 C ATOM 2419 O VAL A1151 -31.326 -10.979 10.925 1.00 9.37 O ATOM 2420 CB VAL A1151 -32.844 -11.413 8.100 1.00 12.46 C ATOM 2421 CG1 VAL A1151 -32.790 -12.733 8.854 1.00 13.61 C ATOM 2422 CG2 VAL A1151 -34.211 -11.223 7.461 1.00 11.47 C ATOM 0 H VAL A1151 -32.037 -9.078 7.499 1.00 11.22 H new ATOM 0 HA VAL A1151 -33.274 -10.129 9.667 1.00 11.30 H new ATOM 0 HB VAL A1151 -32.156 -11.451 7.417 1.00 12.46 H new ATOM 0 HG11 VAL A1151 -32.975 -13.463 8.243 1.00 13.61 H new ATOM 0 HG12 VAL A1151 -31.907 -12.850 9.239 1.00 13.61 H new ATOM 0 HG13 VAL A1151 -33.453 -12.729 9.562 1.00 13.61 H new ATOM 0 HG21 VAL A1151 -34.403 -11.974 6.879 1.00 11.47 H new ATOM 0 HG22 VAL A1151 -34.888 -11.170 8.154 1.00 11.47 H new ATOM 0 HG23 VAL A1151 -34.215 -10.403 6.942 1.00 11.47 H new ATOM 2432 N GLY A1152 -30.139 -9.937 9.314 1.00 8.71 N ATOM 2433 CA GLY A1152 -28.888 -10.065 10.051 1.00 13.85 C ATOM 2434 C GLY A1152 -27.736 -9.347 9.380 1.00 9.39 C ATOM 2435 O GLY A1152 -27.875 -8.767 8.298 1.00 9.70 O ATOM 0 H GLY A1152 -30.073 -9.540 8.554 1.00 8.71 H new ATOM 0 HA2 GLY A1152 -29.007 -9.711 10.946 1.00 13.85 H new ATOM 0 HA3 GLY A1152 -28.667 -11.005 10.145 1.00 13.85 H new ATOM 2439 N ILE A1153 -26.588 -9.384 10.061 1.00 9.22 N ATOM 2440 CA ILE A1153 -25.338 -8.787 9.588 1.00 9.95 C ATOM 2441 C ILE A1153 -24.351 -9.917 9.323 1.00 11.26 C ATOM 2442 O ILE A1153 -24.071 -10.711 10.227 1.00 9.78 O ATOM 2443 CB ILE A1153 -24.772 -7.814 10.638 1.00 9.82 C ATOM 2444 CG1 ILE A1153 -25.730 -6.629 10.870 1.00 13.71 C ATOM 2445 CG2 ILE A1153 -23.380 -7.349 10.272 1.00 14.11 C ATOM 2446 CD1 ILE A1153 -25.916 -5.748 9.638 1.00 13.34 C ATOM 0 H ILE A1153 -26.514 -9.766 10.828 1.00 9.22 H new ATOM 0 HA ILE A1153 -25.496 -8.281 8.775 1.00 9.95 H new ATOM 0 HB ILE A1153 -24.697 -8.296 11.477 1.00 9.82 H new ATOM 0 HG12 ILE A1153 -26.594 -6.970 11.148 1.00 13.71 H new ATOM 0 HG13 ILE A1153 -25.391 -6.086 11.599 1.00 13.71 H new ATOM 0 HG21 ILE A1153 -23.053 -6.739 10.952 1.00 14.11 H new ATOM 0 HG22 ILE A1153 -22.788 -8.115 10.214 1.00 14.11 H new ATOM 0 HG23 ILE A1153 -23.405 -6.894 9.416 1.00 14.11 H new ATOM 0 HD11 ILE A1153 -26.527 -5.024 9.847 1.00 13.34 H new ATOM 0 HD12 ILE A1153 -25.059 -5.381 9.370 1.00 13.34 H new ATOM 0 HD13 ILE A1153 -26.281 -6.279 8.913 1.00 13.34 H new ATOM 2458 N PHE A1154 -23.813 -9.980 8.096 1.00 9.56 N ATOM 2459 CA PHE A1154 -22.864 -11.025 7.698 1.00 10.03 C ATOM 2460 C PHE A1154 -21.595 -10.950 8.547 1.00 8.68 C ATOM 2461 O PHE A1154 -20.925 -9.920 8.602 1.00 9.01 O ATOM 2462 CB PHE A1154 -22.553 -10.849 6.198 1.00 8.71 C ATOM 2463 CG PHE A1154 -21.627 -11.862 5.596 1.00 9.50 C ATOM 2464 CD1 PHE A1154 -21.512 -13.158 6.086 1.00 9.24 C ATOM 2465 CD2 PHE A1154 -20.860 -11.500 4.485 1.00 10.72 C ATOM 2466 CE1 PHE A1154 -20.630 -14.069 5.492 1.00 9.89 C ATOM 2467 CE2 PHE A1154 -20.009 -12.398 3.894 1.00 8.72 C ATOM 2468 CZ PHE A1154 -19.889 -13.691 4.402 1.00 8.26 C ATOM 0 H PHE A1154 -23.991 -9.415 7.472 1.00 9.56 H new ATOM 0 HA PHE A1154 -23.250 -11.903 7.844 1.00 10.03 H new ATOM 0 HB2 PHE A1154 -23.390 -10.870 5.708 1.00 8.71 H new ATOM 0 HB3 PHE A1154 -22.169 -9.968 6.067 1.00 8.71 H new ATOM 0 HD1 PHE A1154 -22.026 -13.422 6.815 1.00 9.24 H new ATOM 0 HD2 PHE A1154 -20.928 -10.638 4.142 1.00 10.72 H new ATOM 0 HE1 PHE A1154 -20.547 -14.929 5.836 1.00 9.89 H new ATOM 0 HE2 PHE A1154 -19.510 -12.144 3.152 1.00 8.72 H new ATOM 0 HZ PHE A1154 -19.307 -14.296 4.002 1.00 8.26 H new ATOM 2478 N ARG A1155 -21.238 -12.071 9.168 1.00 9.72 N ATOM 2479 CA ARG A1155 -20.141 -12.142 10.126 1.00 9.03 C ATOM 2480 C ARG A1155 -18.999 -13.041 9.674 1.00 8.19 C ATOM 2481 O ARG A1155 -17.836 -12.639 9.755 1.00 10.99 O ATOM 2482 CB ARG A1155 -20.693 -12.650 11.473 1.00 17.15 C ATOM 2483 CG ARG A1155 -19.683 -12.942 12.497 1.00 19.48 C ATOM 2484 CD ARG A1155 -20.308 -12.955 13.900 1.00 20.47 C ATOM 2485 NE ARG A1155 -21.284 -14.022 14.145 1.00 26.31 N ATOM 2486 CZ ARG A1155 -22.141 -14.030 15.178 1.00 32.54 C ATOM 2487 NH1 ARG A1155 -22.994 -15.027 15.334 1.00 29.46 N ATOM 2488 NH2 ARG A1155 -22.157 -13.038 16.069 1.00 28.48 N ATOM 0 H ARG A1155 -21.634 -12.824 9.042 1.00 9.72 H new ATOM 0 HA ARG A1155 -19.772 -11.249 10.208 1.00 9.03 H new ATOM 0 HB2 ARG A1155 -21.306 -11.986 11.825 1.00 17.15 H new ATOM 0 HB3 ARG A1155 -21.209 -13.455 11.311 1.00 17.15 H new ATOM 0 HG2 ARG A1155 -19.272 -13.801 12.315 1.00 19.48 H new ATOM 0 HG3 ARG A1155 -18.978 -12.277 12.460 1.00 19.48 H new ATOM 0 HD2 ARG A1155 -19.596 -13.033 14.554 1.00 20.47 H new ATOM 0 HD3 ARG A1155 -20.741 -12.100 14.052 1.00 20.47 H new ATOM 0 HE ARG A1155 -21.309 -14.682 13.594 1.00 26.31 H new ATOM 0 HH11 ARG A1155 -23.003 -15.677 14.771 1.00 29.46 H new ATOM 0 HH12 ARG A1155 -23.540 -15.026 15.998 1.00 29.46 H new ATOM 0 HH21 ARG A1155 -21.612 -12.378 15.987 1.00 28.48 H new ATOM 0 HH22 ARG A1155 -22.712 -13.058 16.725 1.00 28.48 H new ATOM 2502 N ALA A1156 -19.299 -14.234 9.169 1.00 11.23 N ATOM 2503 CA ALA A1156 -18.270 -15.230 8.902 1.00 11.85 C ATOM 2504 C ALA A1156 -18.754 -16.218 7.842 1.00 14.69 C ATOM 2505 O ALA A1156 -19.958 -16.431 7.662 1.00 10.86 O ATOM 2506 CB ALA A1156 -17.863 -15.946 10.207 1.00 12.19 C ATOM 0 H ALA A1156 -20.098 -14.486 8.973 1.00 11.23 H new ATOM 0 HA ALA A1156 -17.481 -14.786 8.554 1.00 11.85 H new ATOM 0 HB1 ALA A1156 -17.178 -16.605 10.014 1.00 12.19 H new ATOM 0 HB2 ALA A1156 -17.517 -15.296 10.839 1.00 12.19 H new ATOM 0 HB3 ALA A1156 -18.638 -16.387 10.589 1.00 12.19 H new ATOM 2512 N ALA A1157 -17.793 -16.792 7.115 1.00 11.42 N ATOM 2513 CA ALA A1157 -18.048 -17.774 6.068 1.00 11.21 C ATOM 2514 C ALA A1157 -17.652 -19.154 6.563 1.00 15.43 C ATOM 2515 O ALA A1157 -16.561 -19.332 7.116 1.00 14.60 O ATOM 2516 CB ALA A1157 -17.256 -17.455 4.806 1.00 10.75 C ATOM 0 H ALA A1157 -16.958 -16.615 7.222 1.00 11.42 H new ATOM 0 HA ALA A1157 -18.994 -17.748 5.854 1.00 11.21 H new ATOM 0 HB1 ALA A1157 -17.444 -18.123 4.128 1.00 10.75 H new ATOM 0 HB2 ALA A1157 -17.511 -16.579 4.476 1.00 10.75 H new ATOM 0 HB3 ALA A1157 -16.308 -17.460 5.009 1.00 10.75 H new ATOM 2522 N VAL A1158 -18.527 -20.121 6.335 1.00 12.86 N ATOM 2523 CA VAL A1158 -18.287 -21.506 6.711 1.00 20.21 C ATOM 2524 C VAL A1158 -17.735 -22.167 5.456 1.00 18.53 C ATOM 2525 O VAL A1158 -18.451 -22.315 4.469 1.00 17.65 O ATOM 2526 CB VAL A1158 -19.578 -22.181 7.193 1.00 14.19 C ATOM 2527 CG1 VAL A1158 -19.295 -23.609 7.649 1.00 24.40 C ATOM 2528 CG2 VAL A1158 -20.248 -21.359 8.296 1.00 20.59 C ATOM 0 H VAL A1158 -19.286 -19.991 5.953 1.00 12.86 H new ATOM 0 HA VAL A1158 -17.666 -21.581 7.453 1.00 20.21 H new ATOM 0 HB VAL A1158 -20.199 -22.224 6.449 1.00 14.19 H new ATOM 0 HG11 VAL A1158 -20.119 -24.022 7.950 1.00 24.40 H new ATOM 0 HG12 VAL A1158 -18.930 -24.119 6.909 1.00 24.40 H new ATOM 0 HG13 VAL A1158 -18.655 -23.595 8.378 1.00 24.40 H new ATOM 0 HG21 VAL A1158 -21.060 -21.805 8.584 1.00 20.59 H new ATOM 0 HG22 VAL A1158 -19.642 -21.273 9.049 1.00 20.59 H new ATOM 0 HG23 VAL A1158 -20.467 -20.478 7.955 1.00 20.59 H new ATOM 2538 N SER A1159 -16.442 -22.474 5.448 1.00 19.57 N ATOM 2539 CA SER A1159 -15.818 -22.952 4.232 1.00 31.37 C ATOM 2540 C SER A1159 -15.156 -24.302 4.458 1.00 26.95 C ATOM 2541 O SER A1159 -14.629 -24.587 5.535 1.00 27.82 O ATOM 2542 CB SER A1159 -14.787 -21.959 3.699 1.00 28.24 C ATOM 2543 OG SER A1159 -13.571 -22.063 4.395 1.00 31.24 O ATOM 0 H SER A1159 -15.919 -22.412 6.128 1.00 19.57 H new ATOM 0 HA SER A1159 -16.521 -23.048 3.570 1.00 31.37 H new ATOM 0 HB2 SER A1159 -14.636 -22.121 2.755 1.00 28.24 H new ATOM 0 HB3 SER A1159 -15.132 -21.056 3.780 1.00 28.24 H new ATOM 0 HG SER A1159 -12.944 -22.179 3.848 1.00 31.24 H new ATOM 2549 N THR A1160 -15.211 -25.124 3.423 1.00 30.53 N ATOM 2550 CA THR A1160 -14.448 -26.353 3.355 1.00 38.99 C ATOM 2551 C THR A1160 -13.602 -26.311 2.094 1.00 24.42 C ATOM 2552 O THR A1160 -14.121 -26.082 0.991 1.00 23.64 O ATOM 2553 CB THR A1160 -15.359 -27.574 3.364 1.00 38.45 C ATOM 2554 OG1 THR A1160 -16.310 -27.436 4.428 1.00 42.13 O ATOM 2555 CG2 THR A1160 -14.530 -28.818 3.595 1.00 45.22 C ATOM 0 H THR A1160 -15.700 -24.980 2.731 1.00 30.53 H new ATOM 0 HA THR A1160 -13.877 -26.428 4.136 1.00 38.99 H new ATOM 0 HB THR A1160 -15.821 -27.646 2.514 1.00 38.45 H new ATOM 0 HG1 THR A1160 -16.818 -28.105 4.439 1.00 42.13 H new ATOM 0 HG21 THR A1160 -15.109 -29.596 3.601 1.00 45.22 H new ATOM 0 HG22 THR A1160 -13.876 -28.908 2.885 1.00 45.22 H new ATOM 0 HG23 THR A1160 -14.073 -28.749 4.448 1.00 45.22 H new ATOM 2563 N ARG A1161 -12.300 -26.500 2.272 1.00 29.69 N ATOM 2564 CA ARG A1161 -11.351 -26.448 1.167 1.00 28.31 C ATOM 2565 C ARG A1161 -11.549 -25.168 0.363 1.00 20.24 C ATOM 2566 O ARG A1161 -11.534 -25.172 -0.869 1.00 23.27 O ATOM 2567 CB ARG A1161 -11.474 -27.685 0.277 1.00 31.19 C ATOM 0 H ARG A1161 -11.942 -26.662 3.037 1.00 29.69 H new ATOM 0 HA ARG A1161 -10.453 -26.443 1.533 1.00 28.31 H new ATOM 2570 N GLY A1162 -11.793 -24.069 1.077 1.00 26.72 N ATOM 2571 CA GLY A1162 -11.896 -22.752 0.469 1.00 22.06 C ATOM 2572 C GLY A1162 -13.207 -22.434 -0.219 1.00 20.20 C ATOM 2573 O GLY A1162 -13.317 -21.360 -0.821 1.00 17.50 O ATOM 0 H GLY A1162 -11.903 -24.071 1.930 1.00 26.72 H new ATOM 0 HA2 GLY A1162 -11.743 -22.086 1.157 1.00 22.06 H new ATOM 0 HA3 GLY A1162 -11.181 -22.659 -0.180 1.00 22.06 H new ATOM 2577 N VAL A1163 -14.202 -23.316 -0.167 1.00 19.62 N ATOM 2578 CA VAL A1163 -15.501 -23.069 -0.782 1.00 15.60 C ATOM 2579 C VAL A1163 -16.503 -22.789 0.327 1.00 18.99 C ATOM 2580 O VAL A1163 -16.616 -23.567 1.283 1.00 20.00 O ATOM 2581 CB VAL A1163 -15.968 -24.251 -1.651 1.00 21.83 C ATOM 2582 CG1 VAL A1163 -17.340 -23.965 -2.232 1.00 21.32 C ATOM 2583 CG2 VAL A1163 -14.966 -24.513 -2.780 1.00 25.26 C ATOM 0 H VAL A1163 -14.141 -24.077 0.228 1.00 19.62 H new ATOM 0 HA VAL A1163 -15.429 -22.306 -1.376 1.00 15.60 H new ATOM 0 HB VAL A1163 -16.021 -25.042 -1.092 1.00 21.83 H new ATOM 0 HG11 VAL A1163 -17.624 -24.716 -2.777 1.00 21.32 H new ATOM 0 HG12 VAL A1163 -17.975 -23.831 -1.511 1.00 21.32 H new ATOM 0 HG13 VAL A1163 -17.299 -23.165 -2.780 1.00 21.32 H new ATOM 0 HG21 VAL A1163 -15.273 -25.259 -3.318 1.00 25.26 H new ATOM 0 HG22 VAL A1163 -14.891 -23.722 -3.337 1.00 25.26 H new ATOM 0 HG23 VAL A1163 -14.099 -24.724 -2.401 1.00 25.26 H new ATOM 2593 N ALA A1164 -17.232 -21.694 0.195 1.00 16.63 N ATOM 2594 CA ALA A1164 -18.205 -21.306 1.212 1.00 17.99 C ATOM 2595 C ALA A1164 -19.542 -21.927 0.835 1.00 13.33 C ATOM 2596 O ALA A1164 -20.110 -21.606 -0.210 1.00 20.57 O ATOM 2597 CB ALA A1164 -18.305 -19.788 1.318 1.00 16.83 C ATOM 0 H ALA A1164 -17.182 -21.158 -0.476 1.00 16.63 H new ATOM 0 HA ALA A1164 -17.928 -21.627 2.085 1.00 17.99 H new ATOM 0 HB1 ALA A1164 -18.956 -19.553 1.998 1.00 16.83 H new ATOM 0 HB2 ALA A1164 -17.439 -19.423 1.559 1.00 16.83 H new ATOM 0 HB3 ALA A1164 -18.584 -19.421 0.464 1.00 16.83 H new ATOM 2603 N LYS A1165 -20.030 -22.837 1.680 1.00 15.40 N ATOM 2604 CA LYS A1165 -21.351 -23.407 1.499 1.00 14.08 C ATOM 2605 C LYS A1165 -22.375 -22.784 2.428 1.00 12.58 C ATOM 2606 O LYS A1165 -23.579 -22.973 2.222 1.00 13.24 O ATOM 2607 CB LYS A1165 -21.306 -24.926 1.709 1.00 21.92 C ATOM 2608 CG LYS A1165 -20.370 -25.634 0.704 1.00 30.26 C ATOM 2609 CD LYS A1165 -20.622 -27.139 0.667 1.00 42.12 C ATOM 2610 CE LYS A1165 -19.837 -27.823 -0.442 1.00 48.19 C ATOM 2611 NZ LYS A1165 -18.366 -27.824 -0.189 1.00 60.09 N ATOM 0 H LYS A1165 -19.604 -23.134 2.366 1.00 15.40 H new ATOM 0 HA LYS A1165 -21.627 -23.213 0.589 1.00 14.08 H new ATOM 0 HB2 LYS A1165 -21.009 -25.116 2.613 1.00 21.92 H new ATOM 0 HB3 LYS A1165 -22.202 -25.288 1.623 1.00 21.92 H new ATOM 0 HG2 LYS A1165 -20.503 -25.261 -0.181 1.00 30.26 H new ATOM 0 HG3 LYS A1165 -19.446 -25.466 0.947 1.00 30.26 H new ATOM 0 HD2 LYS A1165 -20.378 -27.528 1.522 1.00 42.12 H new ATOM 0 HD3 LYS A1165 -21.569 -27.304 0.540 1.00 42.12 H new ATOM 0 HE2 LYS A1165 -20.146 -28.738 -0.535 1.00 48.19 H new ATOM 0 HE3 LYS A1165 -20.016 -27.376 -1.284 1.00 48.19 H new ATOM 0 HZ1 LYS A1165 -17.949 -28.233 -0.861 1.00 60.09 H new ATOM 0 HZ2 LYS A1165 -18.075 -26.985 -0.126 1.00 60.09 H new ATOM 0 HZ3 LYS A1165 -18.196 -28.255 0.571 1.00 60.09 H new ATOM 2625 N ALA A1166 -21.927 -22.029 3.424 1.00 14.25 N ATOM 2626 CA ALA A1166 -22.836 -21.455 4.404 1.00 12.55 C ATOM 2627 C ALA A1166 -22.209 -20.186 4.950 1.00 14.42 C ATOM 2628 O ALA A1166 -21.006 -19.967 4.818 1.00 12.78 O ATOM 2629 CB ALA A1166 -23.126 -22.431 5.530 1.00 13.69 C ATOM 0 H ALA A1166 -21.098 -21.837 3.549 1.00 14.25 H new ATOM 0 HA ALA A1166 -23.683 -21.254 3.976 1.00 12.55 H new ATOM 0 HB1 ALA A1166 -23.733 -22.021 6.166 1.00 13.69 H new ATOM 0 HB2 ALA A1166 -23.533 -23.233 5.167 1.00 13.69 H new ATOM 0 HB3 ALA A1166 -22.298 -22.664 5.978 1.00 13.69 H new ATOM 2635 N VAL A1167 -23.044 -19.350 5.554 1.00 12.11 N ATOM 2636 CA VAL A1167 -22.596 -18.120 6.187 1.00 11.67 C ATOM 2637 C VAL A1167 -23.161 -18.032 7.597 1.00 11.96 C ATOM 2638 O VAL A1167 -24.239 -18.550 7.896 1.00 12.97 O ATOM 2639 CB VAL A1167 -23.003 -16.878 5.372 1.00 13.21 C ATOM 2640 CG1 VAL A1167 -22.284 -16.894 4.045 1.00 14.75 C ATOM 2641 CG2 VAL A1167 -24.513 -16.801 5.176 1.00 14.33 C ATOM 0 H VAL A1167 -23.892 -19.482 5.608 1.00 12.11 H new ATOM 0 HA VAL A1167 -21.627 -18.139 6.226 1.00 11.67 H new ATOM 0 HB VAL A1167 -22.745 -16.085 5.867 1.00 13.21 H new ATOM 0 HG11 VAL A1167 -22.538 -16.113 3.529 1.00 14.75 H new ATOM 0 HG12 VAL A1167 -21.326 -16.883 4.196 1.00 14.75 H new ATOM 0 HG13 VAL A1167 -22.525 -17.696 3.556 1.00 14.75 H new ATOM 0 HG21 VAL A1167 -24.733 -16.009 4.660 1.00 14.33 H new ATOM 0 HG22 VAL A1167 -24.819 -17.590 4.702 1.00 14.33 H new ATOM 0 HG23 VAL A1167 -24.950 -16.755 6.041 1.00 14.33 H new ATOM 2651 N ALA A1168 -22.402 -17.383 8.465 1.00 12.15 N ATOM 2652 CA ALA A1168 -22.834 -17.035 9.808 1.00 7.86 C ATOM 2653 C ALA A1168 -23.082 -15.541 9.881 1.00 10.16 C ATOM 2654 O ALA A1168 -22.345 -14.746 9.275 1.00 10.07 O ATOM 2655 CB ALA A1168 -21.782 -17.433 10.845 1.00 14.28 C ATOM 0 H ALA A1168 -21.601 -17.126 8.285 1.00 12.15 H new ATOM 0 HA ALA A1168 -23.651 -17.518 10.005 1.00 7.86 H new ATOM 0 HB1 ALA A1168 -22.093 -17.191 11.731 1.00 14.28 H new ATOM 0 HB2 ALA A1168 -21.634 -18.391 10.805 1.00 14.28 H new ATOM 0 HB3 ALA A1168 -20.951 -16.970 10.657 1.00 14.28 H new ATOM 2661 N PHE A1169 -24.150 -15.165 10.576 1.00 11.86 N ATOM 2662 CA PHE A1169 -24.549 -13.774 10.664 1.00 10.07 C ATOM 2663 C PHE A1169 -25.002 -13.450 12.079 1.00 12.27 C ATOM 2664 O PHE A1169 -25.331 -14.336 12.872 1.00 13.14 O ATOM 2665 CB PHE A1169 -25.657 -13.416 9.656 1.00 9.73 C ATOM 2666 CG PHE A1169 -26.930 -14.217 9.802 1.00 10.92 C ATOM 2667 CD1 PHE A1169 -27.965 -13.786 10.627 1.00 10.63 C ATOM 2668 CD2 PHE A1169 -27.100 -15.396 9.091 1.00 8.66 C ATOM 2669 CE1 PHE A1169 -29.141 -14.528 10.731 1.00 10.84 C ATOM 2670 CE2 PHE A1169 -28.263 -16.118 9.206 1.00 10.26 C ATOM 2671 CZ PHE A1169 -29.284 -15.681 10.041 1.00 12.35 C ATOM 0 H PHE A1169 -24.659 -15.709 11.006 1.00 11.86 H new ATOM 0 HA PHE A1169 -23.773 -13.237 10.439 1.00 10.07 H new ATOM 0 HB2 PHE A1169 -25.870 -12.474 9.750 1.00 9.73 H new ATOM 0 HB3 PHE A1169 -25.312 -13.541 8.758 1.00 9.73 H new ATOM 0 HD1 PHE A1169 -27.872 -12.998 11.112 1.00 10.63 H new ATOM 0 HD2 PHE A1169 -26.421 -15.700 8.532 1.00 8.66 H new ATOM 0 HE1 PHE A1169 -29.831 -14.228 11.278 1.00 10.84 H new ATOM 0 HE2 PHE A1169 -28.368 -16.905 8.722 1.00 10.26 H new ATOM 0 HZ PHE A1169 -30.064 -16.181 10.125 1.00 12.35 H new ATOM 2681 N ILE A1170 -24.956 -12.162 12.395 1.00 11.34 N ATOM 2682 CA ILE A1170 -25.484 -11.622 13.645 1.00 10.98 C ATOM 2683 C ILE A1170 -26.974 -11.399 13.430 1.00 13.34 C ATOM 2684 O ILE A1170 -27.353 -10.542 12.617 1.00 11.25 O ATOM 2685 CB ILE A1170 -24.803 -10.305 14.048 1.00 9.72 C ATOM 2686 CG1 ILE A1170 -23.271 -10.467 14.079 1.00 13.58 C ATOM 2687 CG2 ILE A1170 -25.301 -9.845 15.398 1.00 13.45 C ATOM 2688 CD1 ILE A1170 -22.524 -9.183 13.940 1.00 18.93 C ATOM 0 H ILE A1170 -24.611 -11.565 11.881 1.00 11.34 H new ATOM 0 HA ILE A1170 -25.313 -12.246 14.368 1.00 10.98 H new ATOM 0 HB ILE A1170 -25.029 -9.635 13.384 1.00 9.72 H new ATOM 0 HG12 ILE A1170 -23.016 -10.890 14.914 1.00 13.58 H new ATOM 0 HG13 ILE A1170 -23.003 -11.066 13.364 1.00 13.58 H new ATOM 0 HG21 ILE A1170 -24.863 -9.014 15.639 1.00 13.45 H new ATOM 0 HG22 ILE A1170 -26.260 -9.705 15.359 1.00 13.45 H new ATOM 0 HG23 ILE A1170 -25.100 -10.521 16.065 1.00 13.45 H new ATOM 0 HD11 ILE A1170 -21.570 -9.359 13.968 1.00 18.93 H new ATOM 0 HD12 ILE A1170 -22.751 -8.766 13.094 1.00 18.93 H new ATOM 0 HD13 ILE A1170 -22.764 -8.588 14.668 1.00 18.93 H new ATOM 2700 N PRO A1171 -27.852 -12.096 14.135 1.00 10.28 N ATOM 2701 CA PRO A1171 -29.286 -11.908 13.894 1.00 11.14 C ATOM 2702 C PRO A1171 -29.718 -10.501 14.273 1.00 10.23 C ATOM 2703 O PRO A1171 -29.236 -9.929 15.253 1.00 10.11 O ATOM 2704 CB PRO A1171 -29.959 -12.954 14.804 1.00 12.36 C ATOM 2705 CG PRO A1171 -28.892 -13.774 15.355 1.00 16.42 C ATOM 2706 CD PRO A1171 -27.572 -13.140 15.139 1.00 15.85 C ATOM 0 HA PRO A1171 -29.525 -12.018 12.960 1.00 11.14 H new ATOM 0 HB2 PRO A1171 -30.462 -12.522 15.512 1.00 12.36 H new ATOM 0 HB3 PRO A1171 -30.586 -13.497 14.300 1.00 12.36 H new ATOM 0 HG2 PRO A1171 -29.039 -13.907 16.304 1.00 16.42 H new ATOM 0 HG3 PRO A1171 -28.906 -14.651 14.940 1.00 16.42 H new ATOM 0 HD2 PRO A1171 -27.219 -12.761 15.959 1.00 15.85 H new ATOM 0 HD3 PRO A1171 -26.917 -13.779 14.817 1.00 15.85 H new ATOM 2714 N VAL A1172 -30.703 -9.978 13.538 1.00 10.52 N ATOM 2715 CA VAL A1172 -31.140 -8.610 13.800 1.00 11.42 C ATOM 2716 C VAL A1172 -31.705 -8.493 15.203 1.00 14.59 C ATOM 2717 O VAL A1172 -31.604 -7.431 15.821 1.00 13.30 O ATOM 2718 CB VAL A1172 -32.154 -8.134 12.737 1.00 14.43 C ATOM 2719 CG1 VAL A1172 -33.454 -8.870 12.889 1.00 10.44 C ATOM 2720 CG2 VAL A1172 -32.360 -6.638 12.831 1.00 15.55 C ATOM 0 H VAL A1172 -31.118 -10.385 12.904 1.00 10.52 H new ATOM 0 HA VAL A1172 -30.368 -8.026 13.740 1.00 11.42 H new ATOM 0 HB VAL A1172 -31.797 -8.331 11.857 1.00 14.43 H new ATOM 0 HG11 VAL A1172 -34.081 -8.562 12.216 1.00 10.44 H new ATOM 0 HG12 VAL A1172 -33.302 -9.822 12.777 1.00 10.44 H new ATOM 0 HG13 VAL A1172 -33.820 -8.703 13.772 1.00 10.44 H new ATOM 0 HG21 VAL A1172 -32.999 -6.356 12.157 1.00 15.55 H new ATOM 0 HG22 VAL A1172 -32.699 -6.412 13.712 1.00 15.55 H new ATOM 0 HG23 VAL A1172 -31.515 -6.185 12.684 1.00 15.55 H new ATOM 2730 N GLU A1173 -32.291 -9.572 15.743 1.00 12.71 N ATOM 2731 CA GLU A1173 -32.820 -9.497 17.109 1.00 15.19 C ATOM 2732 C GLU A1173 -31.721 -9.210 18.123 1.00 17.84 C ATOM 2733 O GLU A1173 -31.970 -8.588 19.164 1.00 16.30 O ATOM 2734 CB GLU A1173 -33.533 -10.796 17.484 1.00 18.74 C ATOM 2735 CG GLU A1173 -34.801 -11.055 16.700 1.00 18.34 C ATOM 2736 CD GLU A1173 -34.538 -11.643 15.322 1.00 23.53 C ATOM 2737 OE1 GLU A1173 -35.497 -11.623 14.510 1.00 24.31 O ATOM 2738 OE2 GLU A1173 -33.387 -12.100 15.044 1.00 14.74 O ATOM 0 H GLU A1173 -32.389 -10.330 15.350 1.00 12.71 H new ATOM 0 HA GLU A1173 -33.454 -8.763 17.130 1.00 15.19 H new ATOM 0 HB2 GLU A1173 -32.924 -11.538 17.349 1.00 18.74 H new ATOM 0 HB3 GLU A1173 -33.748 -10.774 18.430 1.00 18.74 H new ATOM 0 HG2 GLU A1173 -35.368 -11.661 17.202 1.00 18.34 H new ATOM 0 HG3 GLU A1173 -35.291 -10.223 16.603 1.00 18.34 H new ATOM 2745 N SER A1174 -30.515 -9.693 17.864 1.00 13.68 N ATOM 2746 CA SER A1174 -29.403 -9.396 18.741 1.00 18.27 C ATOM 2747 C SER A1174 -29.044 -7.910 18.689 1.00 18.62 C ATOM 2748 O SER A1174 -28.724 -7.306 19.723 1.00 16.81 O ATOM 2749 CB SER A1174 -28.227 -10.301 18.363 1.00 19.90 C ATOM 2750 OG SER A1174 -27.123 -10.056 19.183 1.00 31.85 O ATOM 0 H SER A1174 -30.323 -10.191 17.190 1.00 13.68 H new ATOM 0 HA SER A1174 -29.646 -9.578 19.662 1.00 18.27 H new ATOM 0 HB2 SER A1174 -28.492 -11.231 18.441 1.00 19.90 H new ATOM 0 HB3 SER A1174 -27.985 -10.152 17.436 1.00 19.90 H new ATOM 0 HG SER A1174 -26.675 -10.761 19.268 1.00 31.85 H new ATOM 2756 N LEU A1175 -29.125 -7.291 17.506 1.00 16.01 N ATOM 2757 CA LEU A1175 -28.976 -5.839 17.409 1.00 14.15 C ATOM 2758 C LEU A1175 -30.081 -5.133 18.173 1.00 16.67 C ATOM 2759 O LEU A1175 -29.836 -4.139 18.868 1.00 21.89 O ATOM 2760 CB LEU A1175 -29.025 -5.381 15.948 1.00 13.31 C ATOM 2761 CG LEU A1175 -27.782 -5.566 15.095 1.00 12.60 C ATOM 2762 CD1 LEU A1175 -27.337 -6.995 15.087 1.00 12.58 C ATOM 2763 CD2 LEU A1175 -28.072 -5.062 13.684 1.00 11.97 C ATOM 0 H LEU A1175 -29.264 -7.690 16.757 1.00 16.01 H new ATOM 0 HA LEU A1175 -28.115 -5.611 17.793 1.00 14.15 H new ATOM 0 HB2 LEU A1175 -29.754 -5.851 15.515 1.00 13.31 H new ATOM 0 HB3 LEU A1175 -29.252 -4.438 15.941 1.00 13.31 H new ATOM 0 HG LEU A1175 -27.053 -5.050 15.473 1.00 12.60 H new ATOM 0 HD11 LEU A1175 -26.544 -7.084 14.536 1.00 12.58 H new ATOM 0 HD12 LEU A1175 -27.134 -7.276 15.993 1.00 12.58 H new ATOM 0 HD13 LEU A1175 -28.044 -7.552 14.727 1.00 12.58 H new ATOM 0 HD21 LEU A1175 -27.283 -5.176 13.131 1.00 11.97 H new ATOM 0 HD22 LEU A1175 -28.808 -5.567 13.305 1.00 11.97 H new ATOM 0 HD23 LEU A1175 -28.309 -4.122 13.718 1.00 11.97 H new ATOM 2775 N GLU A1176 -31.311 -5.624 18.037 1.00 17.22 N ATOM 2776 CA GLU A1176 -32.445 -4.953 18.653 1.00 17.09 C ATOM 2777 C GLU A1176 -32.330 -4.988 20.164 1.00 20.71 C ATOM 2778 O GLU A1176 -32.703 -4.022 20.843 1.00 28.49 O ATOM 2779 CB GLU A1176 -33.758 -5.594 18.186 1.00 20.43 C ATOM 2780 CG GLU A1176 -34.143 -5.256 16.750 1.00 21.13 C ATOM 2781 CD GLU A1176 -35.322 -6.064 16.231 1.00 28.04 C ATOM 2782 OE1 GLU A1176 -35.137 -7.208 15.737 1.00 25.14 O ATOM 2783 OE2 GLU A1176 -36.444 -5.548 16.299 1.00 28.68 O ATOM 0 H GLU A1176 -31.506 -6.337 17.597 1.00 17.22 H new ATOM 0 HA GLU A1176 -32.445 -4.023 18.376 1.00 17.09 H new ATOM 0 HB2 GLU A1176 -33.684 -6.557 18.272 1.00 20.43 H new ATOM 0 HB3 GLU A1176 -34.473 -5.310 18.777 1.00 20.43 H new ATOM 0 HG2 GLU A1176 -34.358 -4.312 16.694 1.00 21.13 H new ATOM 0 HG3 GLU A1176 -33.378 -5.407 16.174 1.00 21.13 H new ATOM 2790 N THR A1177 -31.808 -6.088 20.709 1.00 21.37 N ATOM 2791 CA THR A1177 -31.559 -6.170 22.143 1.00 24.30 C ATOM 2792 C THR A1177 -30.459 -5.204 22.557 1.00 33.60 C ATOM 2793 O THR A1177 -30.563 -4.542 23.597 1.00 25.76 O ATOM 2794 CB THR A1177 -31.170 -7.601 22.537 1.00 22.15 C ATOM 2795 OG1 THR A1177 -32.277 -8.491 22.321 1.00 28.65 O ATOM 2796 CG2 THR A1177 -30.781 -7.677 24.005 1.00 29.69 C ATOM 0 H THR A1177 -31.593 -6.793 20.266 1.00 21.37 H new ATOM 0 HA THR A1177 -32.376 -5.925 22.604 1.00 24.30 H new ATOM 0 HB THR A1177 -30.414 -7.860 21.987 1.00 22.15 H new ATOM 0 HG1 THR A1177 -32.428 -8.555 21.497 1.00 28.65 H new ATOM 0 HG21 THR A1177 -30.540 -8.589 24.229 1.00 29.69 H new ATOM 0 HG22 THR A1177 -30.024 -7.093 24.170 1.00 29.69 H new ATOM 0 HG23 THR A1177 -31.530 -7.397 24.553 1.00 29.69 H new ATOM 2804 N THR A1178 -29.373 -5.161 21.779 1.00 27.40 N ATOM 2805 CA THR A1178 -28.293 -4.210 22.026 1.00 22.11 C ATOM 2806 C THR A1178 -28.835 -2.781 22.092 1.00 25.79 C ATOM 2807 O THR A1178 -28.428 -1.997 22.954 1.00 29.07 O ATOM 2808 CB THR A1178 -27.215 -4.383 20.940 1.00 25.93 C ATOM 2809 OG1 THR A1178 -26.524 -5.638 21.118 1.00 26.68 O ATOM 2810 CG2 THR A1178 -26.189 -3.246 20.948 1.00 27.95 C ATOM 0 H THR A1178 -29.245 -5.677 21.103 1.00 27.40 H new ATOM 0 HA THR A1178 -27.885 -4.387 22.888 1.00 22.11 H new ATOM 0 HB THR A1178 -27.675 -4.368 20.086 1.00 25.93 H new ATOM 0 HG1 THR A1178 -26.068 -5.610 21.823 1.00 26.68 H new ATOM 0 HG21 THR A1178 -25.533 -3.397 20.250 1.00 27.95 H new ATOM 0 HG22 THR A1178 -26.640 -2.402 20.790 1.00 27.95 H new ATOM 0 HG23 THR A1178 -25.744 -3.218 21.809 1.00 27.95 H new ATOM 2818 N MET A1179 -29.771 -2.429 21.216 1.00 22.55 N ATOM 2819 CA MET A1179 -30.327 -1.085 21.228 1.00 20.32 C ATOM 2820 C MET A1179 -31.194 -0.846 22.456 1.00 37.27 C ATOM 2821 O MET A1179 -31.791 0.228 22.587 1.00 42.84 O ATOM 2822 CB MET A1179 -31.151 -0.827 19.979 1.00 32.28 C ATOM 2823 CG MET A1179 -30.334 -0.863 18.716 1.00 19.87 C ATOM 2824 SD MET A1179 -31.299 -0.499 17.274 1.00 24.36 S ATOM 2825 CE MET A1179 -31.659 1.217 17.567 1.00 34.89 C ATOM 0 H MET A1179 -30.094 -2.950 20.612 1.00 22.55 H new ATOM 0 HA MET A1179 -29.576 -0.471 21.253 1.00 20.32 H new ATOM 0 HB2 MET A1179 -31.856 -1.490 19.921 1.00 32.28 H new ATOM 0 HB3 MET A1179 -31.581 0.039 20.055 1.00 32.28 H new ATOM 0 HG2 MET A1179 -29.608 -0.224 18.786 1.00 19.87 H new ATOM 0 HG3 MET A1179 -29.931 -1.740 18.619 1.00 19.87 H new ATOM 0 HE1 MET A1179 -31.999 1.620 16.753 1.00 34.89 H new ATOM 0 HE2 MET A1179 -32.325 1.293 18.268 1.00 34.89 H new ATOM 0 HE3 MET A1179 -30.849 1.676 17.840 1.00 34.89 H new TER 2835 MET A1179 HETATM 2836 ZN ZN A1201 -39.159 -9.437 6.518 1.00 16.34 ZN HETATM 2837 S SO4 A1202 -12.923 -4.033 -4.169 1.00 43.08 S HETATM 2838 O1 SO4 A1202 -12.646 -3.650 -5.550 1.00 48.87 O HETATM 2839 O2 SO4 A1202 -14.366 -4.212 -3.978 1.00 38.08 O HETATM 2840 O3 SO4 A1202 -12.227 -5.281 -3.826 1.00 39.29 O HETATM 2841 O4 SO4 A1202 -12.482 -2.972 -3.277 1.00 42.35 O HETATM 2842 C1 TSV A1203 -17.276 -12.642 6.111 1.00 12.23 C HETATM 2843 F1 TSV A1203 -18.837 -16.130 13.970 1.00 39.24 F HETATM 2844 N1 TSV A1203 -14.671 -18.482 9.068 1.00 14.63 N HETATM 2845 O1 TSV A1203 -16.244 -19.483 10.585 1.00 23.04 O HETATM 2846 S1 TSV A1203 -13.627 -9.077 6.097 1.00 11.14 S HETATM 2847 C2 TSV A1203 -15.851 -12.383 6.577 1.00 9.42 C HETATM 2848 N2 TSV A1203 -15.519 -12.682 7.952 1.00 9.84 N HETATM 2849 O2 TSV A1203 -14.527 -18.240 11.381 1.00 17.62 O HETATM 2850 C3 TSV A1203 -16.153 -13.511 5.588 1.00 11.59 C HETATM 2851 N3 TSV A1203 -14.355 -10.415 6.744 1.00 10.65 N HETATM 2852 O3 TSV A1203 -15.310 -15.791 8.077 1.00 11.34 O HETATM 2853 C4 TSV A1203 -15.229 -11.152 5.912 1.00 8.76 C HETATM 2854 N4 TSV A1203 -15.109 -13.498 14.291 1.00 26.79 N HETATM 2855 O4 TSV A1203 -14.594 -8.089 5.616 1.00 9.10 O HETATM 2856 C5 TSV A1203 -15.538 -13.638 4.176 1.00 11.53 C HETATM 2857 N5 TSV A1203 -13.795 -15.052 9.669 1.00 12.11 N HETATM 2858 O5 TSV A1203 -12.981 -12.695 13.922 1.00 23.46 O HETATM 2859 C6 TSV A1203 -16.972 -18.779 12.833 1.00 28.52 C HETATM 2860 O6 TSV A1203 -12.763 -9.474 4.982 1.00 10.47 O HETATM 2861 C7 TSV A1203 -15.450 -20.782 12.501 1.00 27.31 C HETATM 2862 O7 TSV A1203 -13.389 -13.367 7.557 1.00 10.81 O HETATM 2863 C8 TSV A1203 -17.844 -20.862 11.660 1.00 31.69 C HETATM 2864 O8 TSV A1203 -13.776 -14.354 12.462 1.00 17.17 O HETATM 2865 C9 TSV A1203 -16.607 -19.949 11.884 1.00 24.06 C HETATM 2866 O9 TSV A1203 -15.425 -10.771 4.797 1.00 10.60 O HETATM 2867 C10 TSV A1203 -14.701 -14.603 3.755 1.00 10.99 C HETATM 2868 C11 TSV A1203 -14.277 -13.274 8.344 1.00 10.43 C HETATM 2869 C12 TSV A1203 -15.344 -13.187 15.836 1.00 28.52 C HETATM 2870 C13 TSV A1203 -14.138 -15.722 4.641 1.00 14.58 C HETATM 2871 C14 TSV A1203 -18.885 -14.225 17.395 1.00 24.72 C HETATM 2872 C15 TSV A1203 -14.207 -13.745 9.789 1.00 16.11 C HETATM 2873 C16 TSV A1203 -17.536 -13.526 17.358 1.00 25.69 C HETATM 2874 C17 TSV A1203 -19.354 -15.114 16.246 1.00 31.26 C HETATM 2875 C18 TSV A1203 -12.600 -15.577 4.603 1.00 13.73 C HETATM 2876 C19 TSV A1203 -11.937 -16.737 5.372 1.00 13.96 C HETATM 2877 C20 TSV A1203 -15.099 -18.696 10.446 1.00 17.61 C HETATM 2878 C21 TSV A1203 -18.448 -15.321 15.026 1.00 31.95 C HETATM 2879 C22 TSV A1203 -12.239 -16.584 6.882 1.00 13.89 C HETATM 2880 C23 TSV A1203 -12.599 -8.373 7.403 1.00 14.55 C HETATM 2881 C24 TSV A1203 -16.627 -13.717 16.132 1.00 29.56 C HETATM 2882 C25 TSV A1203 -13.283 -17.669 7.304 1.00 13.71 C HETATM 2883 C26 TSV A1203 -17.087 -14.587 15.020 1.00 32.86 C HETATM 2884 C27 TSV A1203 -13.086 -13.016 10.714 1.00 14.88 C HETATM 2885 C28 TSV A1203 -13.731 -17.455 8.736 1.00 14.42 C HETATM 2886 C29 TSV A1203 -13.239 -7.218 8.136 1.00 14.28 C HETATM 2887 C30 TSV A1203 -12.706 -14.013 11.545 1.00 17.27 C HETATM 2888 C31 TSV A1203 -15.957 -14.577 13.955 1.00 30.63 C HETATM 2889 C32 TSV A1203 -12.153 -6.954 7.088 1.00 14.09 C HETATM 2890 C33 TSV A1203 -14.379 -16.061 8.778 1.00 11.59 C HETATM 2891 C34 TSV A1203 -12.561 -15.282 10.627 1.00 14.19 C HETATM 2892 C35 TSV A1203 -13.852 -13.440 13.576 1.00 31.28 C HETATM 0 H34A TSV A1203 -12.625 -16.112 11.125 1.00 14.19 H new HETATM 0 H32A TSV A1203 -11.274 -6.636 7.346 1.00 14.09 H new HETATM 0 H29A TSV A1203 -14.163 -6.972 7.971 1.00 14.28 H new HETATM 0 H27A TSV A1203 -12.344 -12.681 10.187 1.00 14.88 H new HETATM 0 H25A TSV A1203 -14.050 -17.633 6.712 1.00 13.71 H new HETATM 0 H22A TSV A1203 -11.424 -16.684 7.399 1.00 13.89 H new HETATM 0 H19A TSV A1203 -12.273 -17.588 5.048 1.00 13.96 H new HETATM 0 H18A TSV A1203 -12.292 -15.572 3.683 1.00 13.73 H new HETATM 0 H13A TSV A1203 -14.470 -15.644 5.549 1.00 14.58 H new HETATM 0 HN3 TSV A1203 -14.207 -10.653 7.557 1.00 10.65 H new HETATM 0 HN2 TSV A1203 -16.095 -12.495 8.563 1.00 9.84 H new HETATM 0 HN1 TSV A1203 -14.989 -18.982 8.444 1.00 14.63 H new HETATM 0 H8B TSV A1203 -18.558 -20.346 11.255 1.00 31.69 H new HETATM 0 H8A TSV A1203 -17.603 -21.596 11.073 1.00 31.69 H new HETATM 0 H8 TSV A1203 -18.144 -21.215 12.512 1.00 31.69 H new HETATM 0 H7B TSV A1203 -15.261 -21.545 11.932 1.00 27.31 H new HETATM 0 H7A TSV A1203 -14.656 -20.229 12.574 1.00 27.31 H new HETATM 0 H7 TSV A1203 -15.709 -21.092 13.383 1.00 27.31 H new HETATM 0 H6B TSV A1203 -16.210 -18.186 12.924 1.00 28.52 H new HETATM 0 H6A TSV A1203 -17.722 -18.286 12.466 1.00 28.52 H new HETATM 0 H6 TSV A1203 -17.213 -19.132 13.704 1.00 28.52 H new HETATM 0 H5 TSV A1203 -15.779 -12.955 3.530 1.00 11.53 H new HETATM 0 H34 TSV A1203 -11.717 -15.302 10.150 1.00 14.19 H new HETATM 0 H32 TSV A1203 -12.367 -6.538 6.238 1.00 14.09 H new HETATM 0 H31 TSV A1203 -15.854 -15.189 13.209 1.00 30.63 H new HETATM 0 H30 TSV A1203 -11.909 -13.751 12.032 1.00 17.27 H new HETATM 0 H29 TSV A1203 -13.070 -7.069 9.079 1.00 14.28 H new HETATM 0 H28 TSV A1203 -13.002 -17.499 9.375 1.00 14.42 H new HETATM 0 H27 TSV A1203 -13.453 -12.260 11.199 1.00 14.88 H new HETATM 0 H25 TSV A1203 -12.893 -18.552 7.211 1.00 13.71 H new HETATM 0 H23 TSV A1203 -12.161 -9.192 7.682 1.00 14.55 H new HETATM 0 H22 TSV A1203 -12.585 -15.697 7.066 1.00 13.89 H new HETATM 0 H1A TSV A1203 -17.942 -13.000 6.719 1.00 12.23 H new HETATM 0 H19 TSV A1203 -10.979 -16.734 5.221 1.00 13.96 H new HETATM 0 H18 TSV A1203 -12.339 -14.729 4.995 1.00 13.73 H new HETATM 0 H17 TSV A1203 -20.221 -15.546 16.287 1.00 31.26 H new HETATM 0 H16 TSV A1203 -17.252 -12.967 18.098 1.00 25.69 H new HETATM 0 H15 TSV A1203 -15.062 -13.571 10.213 1.00 16.11 H new HETATM 0 H14 TSV A1203 -19.461 -14.104 18.166 1.00 24.72 H new HETATM 0 H13 TSV A1203 -14.411 -16.593 4.313 1.00 14.58 H new HETATM 0 H12 TSV A1203 -14.740 -12.733 16.444 1.00 28.52 H new HETATM 0 H10 TSV A1203 -14.434 -14.591 2.823 1.00 10.99 H new HETATM 0 H1 TSV A1203 -17.732 -12.014 5.529 1.00 12.23 H new HETATM 2937 O HOH A1301 -13.278 -4.514 21.160 1.00 43.49 O HETATM 2938 O HOH A1302 -31.776 0.666 -13.286 1.00 49.27 O HETATM 2939 O HOH A1303 -12.456 -15.882 13.748 1.00 37.65 O HETATM 2940 O HOH A1304 -19.083 -24.538 3.840 1.00 30.71 O HETATM 2941 O HOH A1305 -27.052 -16.294 17.603 1.00 29.52 O HETATM 2942 O HOH A1306 -35.460 -13.268 12.751 1.00 24.64 O HETATM 2943 O HOH A1307 -29.618 0.746 -7.563 1.00 30.45 O HETATM 2944 O HOH A1308 -19.169 -12.217 27.724 1.00 24.29 O HETATM 2945 O HOH A1309 -15.507 9.590 2.593 1.00 18.41 O HETATM 2946 O HOH A1310 -11.502 -23.310 3.696 1.00 30.72 O HETATM 2947 O HOH A1311 -23.956 -4.783 -10.455 1.00 31.11 O HETATM 2948 O HOH A1312 -19.064 -10.811 -4.489 1.00 20.28 O HETATM 2949 O HOH A1313 -4.133 -5.109 4.988 1.00 23.95 O HETATM 2950 O HOH A1314 -29.157 -24.150 0.578 1.00 29.28 O HETATM 2951 O HOH A1315 -19.286 8.244 -6.736 1.00 25.62 O HETATM 2952 O HOH A1316 -17.067 -9.876 -1.088 1.00 10.69 O HETATM 2953 O HOH A1317 -27.722 0.412 0.228 1.00 26.22 O HETATM 2954 O HOH A1318 -10.028 -4.975 -2.492 1.00 34.39 O HETATM 2955 O HOH A1319 -17.591 9.641 0.433 1.00 33.01 O HETATM 2956 O HOH A1320 -15.301 -10.899 18.256 1.00 31.97 O HETATM 2957 O HOH A1321 -14.356 -3.477 -7.503 1.00 21.22 O HETATM 2958 O HOH A1322 -24.654 13.098 3.990 1.00 28.15 O HETATM 2959 O HOH A1323 -7.084 2.553 11.743 1.00 34.61 O HETATM 2960 O HOH A1324 -36.797 0.722 6.401 1.00 35.63 O HETATM 2961 O HOH A1325 -10.804 -23.776 -2.989 1.00 34.49 O HETATM 2962 O HOH A1326 -8.269 4.624 -4.684 1.00 24.10 O HETATM 2963 O HOH A1327 -26.233 3.439 5.607 1.00 15.06 O HETATM 2964 O HOH A1328 -30.128 -13.021 -6.826 1.00 43.40 O HETATM 2965 O HOH A1329 -34.053 -24.207 6.312 1.00 12.31 O HETATM 2966 O HOH A1330 -16.672 8.370 6.836 1.00 12.37 O HETATM 2967 O HOH A1331 -32.800 -12.747 12.513 1.00 22.31 O HETATM 2968 O HOH A1332 -38.852 -5.499 15.120 1.00 27.16 O HETATM 2969 O HOH A1333 -30.901 -17.737 19.212 1.00 16.19 O HETATM 2970 O HOH A1334 -19.655 1.671 22.481 1.00 17.79 O HETATM 2971 O HOH A1335 -40.777 -18.347 1.468 1.00 31.93 O HETATM 2972 O HOH A1336 -11.109 -8.168 3.309 1.00 18.65 O HETATM 2973 O HOH A1337 -11.230 -26.990 4.693 1.00 37.72 O HETATM 2974 O HOH A1338 -29.954 5.701 8.376 1.00 18.79 O HETATM 2975 O HOH A1339 -20.057 9.269 9.224 1.00 26.53 O HETATM 2976 O HOH A1340 -39.120 -19.621 8.647 1.00 18.13 O HETATM 2977 O HOH A1341 -22.496 6.969 0.972 1.00 14.12 O HETATM 2978 O HOH A1342 -42.437 -3.781 5.270 1.00 30.40 O HETATM 2979 O HOH A1343 -28.244 -21.024 19.560 1.00 26.57 O HETATM 2980 O HOH A1344 -9.405 1.359 18.091 1.00 18.99 O HETATM 2981 O HOH A1345 -15.274 14.621 17.392 1.00 23.63 O HETATM 2982 O HOH A1346 -11.089 4.176 -1.458 1.00 22.46 O HETATM 2983 O HOH A1347 -12.430 -8.000 -3.775 1.00 41.03 O HETATM 2984 O HOH A1348 -21.598 -9.978 26.193 1.00 22.41 O HETATM 2985 O HOH A1349 -26.235 -18.044 17.284 1.00 36.88 O HETATM 2986 O HOH A1350 -5.951 9.965 13.854 1.00 32.73 O HETATM 2987 O HOH A1351 -36.409 -16.319 9.772 1.00 23.51 O HETATM 2988 O HOH A1352 -10.019 15.318 6.221 1.00 25.31 O HETATM 2989 O HOH A1353 -7.718 8.939 15.111 1.00 38.29 O HETATM 2990 O HOH A1354 -28.020 -19.128 -5.999 1.00 21.77 O HETATM 2991 O HOH A1355 -11.469 -4.315 20.847 1.00 12.06 O HETATM 2992 O HOH A1356 -22.336 9.187 12.241 1.00 23.04 O HETATM 2993 O HOH A1357 -10.777 2.045 0.556 1.00 25.17 O HETATM 2994 O HOH A1358 -10.356 8.661 16.763 1.00 25.72 O HETATM 2995 O HOH A1359 -13.604 7.954 20.874 1.00 25.98 O HETATM 2996 O HOH A1360 -24.956 -5.778 23.387 1.00 26.68 O HETATM 2997 O HOH A1361 -22.390 6.982 17.653 1.00 12.85 O HETATM 2998 O HOH A1362 -17.968 -14.685 21.053 1.00 30.56 O HETATM 2999 O HOH A1363 -13.983 15.737 4.015 1.00 29.43 O HETATM 3000 O HOH A1364 -3.394 10.634 1.705 1.00 37.25 O HETATM 3001 O HOH A1365 -43.346 -8.613 8.586 1.00 34.04 O HETATM 3002 O HOH A1366 10.778 8.250 19.558 1.00 36.17 O HETATM 3003 O HOH A1367 -23.097 -18.736 14.186 1.00 23.76 O HETATM 3004 O HOH A1368 7.844 10.471 26.213 1.00 23.92 O HETATM 3005 O HOH A1369 -24.572 -24.699 0.285 1.00 32.77 O HETATM 3006 O HOH A1370 -33.824 -19.854 0.348 1.00 16.95 O HETATM 3007 O HOH A1371 -11.119 14.511 4.254 1.00 28.78 O HETATM 3008 O HOH A1372 -9.521 9.881 13.191 1.00 18.84 O HETATM 3009 O HOH A1373 -11.662 3.859 20.677 1.00 18.83 O HETATM 3010 O HOH A1374 -43.945 -14.066 6.356 1.00 21.89 O HETATM 3011 O HOH A1375 -30.354 7.482 1.106 1.00 24.77 O HETATM 3012 O HOH A1376 -16.725 -2.702 -4.129 1.00 18.29 O HETATM 3013 O HOH A1377 -19.600 12.246 5.826 1.00 18.87 O HETATM 3014 O HOH A1378 -37.475 -13.570 8.390 1.00 25.55 O HETATM 3015 O HOH A1379 -39.312 -4.097 12.830 1.00 17.29 O HETATM 3016 O HOH A1380 -17.232 11.493 -4.742 1.00 30.05 O HETATM 3017 O HOH A1381 -20.204 14.672 -1.311 1.00 26.97 O HETATM 3018 O HOH A1382 -9.238 -2.704 10.352 1.00 19.86 O HETATM 3019 O HOH A1383 -15.260 4.479 19.332 1.00 11.58 O HETATM 3020 O HOH A1384 7.035 6.471 27.951 1.00 33.67 O HETATM 3021 O HOH A1385 -13.592 -9.407 16.708 1.00 21.17 O HETATM 3022 O HOH A1386 -11.796 -12.064 5.567 1.00 19.29 O HETATM 3023 O HOH A1387 -16.764 -4.063 -6.528 1.00 17.83 O HETATM 3024 O HOH A1388 -15.951 -11.964 26.983 1.00 22.63 O HETATM 3025 O HOH A1389 -16.246 11.221 19.412 1.00 21.71 O HETATM 3026 O HOH A1390 -23.408 -9.001 3.628 1.00 30.29 O HETATM 3027 O HOH A1391 -31.821 3.891 17.271 1.00 25.29 O HETATM 3028 O HOH A1392 -26.882 -7.513 -8.412 1.00 38.33 O HETATM 3029 O HOH A1393 -34.190 5.753 6.946 1.00 22.14 O HETATM 3030 O HOH A1394 -26.639 -18.644 -3.604 1.00 16.87 O HETATM 3031 O HOH A1395 -39.409 -21.654 -0.161 1.00 25.91 O HETATM 3032 O HOH A1396 -40.872 -15.842 2.317 1.00 14.89 O HETATM 3033 O HOH A1397 -29.444 2.153 -2.105 1.00 33.27 O HETATM 3034 O HOH A1398 -33.463 -17.261 -0.748 1.00 15.95 O HETATM 3035 O HOH A1399 -15.594 0.928 22.198 1.00 27.21 O HETATM 3036 O HOH A1400 -26.224 10.677 13.538 1.00 19.25 O HETATM 3037 O HOH A1401 -22.012 -7.501 -9.322 1.00 27.38 O HETATM 3038 O HOH A1402 -14.048 -9.982 -2.685 1.00 19.07 O HETATM 3039 O HOH A1403 -23.723 12.176 13.417 1.00 24.83 O HETATM 3040 O HOH A1404 -23.547 0.837 24.483 1.00 27.02 O HETATM 3041 O HOH A1405 -30.324 9.962 7.758 1.00 20.59 O HETATM 3042 O HOH A1406 -26.569 -10.262 -8.014 1.00 22.01 O HETATM 3043 O HOH A1407 -10.684 -5.727 15.457 1.00 22.18 O HETATM 3044 O HOH A1408 -21.875 -14.386 19.617 1.00 36.66 O HETATM 3045 O HOH A1409 -23.457 12.571 9.330 1.00 19.37 O HETATM 3046 O HOH A1410 -6.583 -8.653 3.295 1.00 25.46 O HETATM 3047 O HOH A1411 -22.117 -1.414 23.702 1.00 19.17 O HETATM 3048 O HOH A1412 -21.087 -3.488 -8.638 1.00 19.78 O HETATM 3049 O HOH A1413 -39.494 -12.744 12.360 1.00 21.86 O HETATM 3050 O HOH A1414 -36.088 -2.370 5.331 1.00 14.37 O HETATM 3051 O HOH A1415 -39.867 -22.207 5.699 1.00 23.07 O HETATM 3052 O HOH A1416 -38.400 -13.124 -2.995 1.00 21.58 O HETATM 3053 O HOH A1417 -39.904 -19.509 5.167 1.00 18.07 O HETATM 3054 O HOH A1418 -40.714 -5.859 9.488 1.00 21.88 O HETATM 3055 O HOH A1419 -23.270 -10.311 24.410 1.00 28.37 O HETATM 3056 O HOH A1420 -9.802 -6.069 4.170 1.00 17.22 O HETATM 3057 O HOH A1421 -20.407 2.704 -9.897 1.00 23.45 O HETATM 3058 O HOH A1422 -20.465 11.352 -1.953 1.00 27.28 O HETATM 3059 O HOH A1423 -33.523 -1.814 23.934 1.00 42.09 O HETATM 3060 O HOH A1424 -10.364 -9.405 9.549 1.00 32.46 O HETATM 3061 O HOH A1425 -24.723 -11.528 -9.004 1.00 29.14 O HETATM 3062 O HOH A1426 -31.919 -11.364 21.473 1.00 32.95 O HETATM 3063 O HOH A1427 -16.762 20.327 13.497 1.00 39.29 O HETATM 3064 O HOH A1428 -17.153 9.672 23.396 1.00 26.69 O HETATM 3065 O HOH A1429 -20.182 8.502 0.878 1.00 25.62 O HETATM 3066 O HOH A1430 -4.531 8.206 13.008 1.00 37.39 O HETATM 3067 O HOH A1431 -6.554 3.630 9.924 1.00 36.60 O HETATM 3068 O HOH A1432 -19.001 9.496 3.037 1.00 33.37 O HETATM 3069 O HOH A1433 -34.842 -8.574 20.185 1.00 30.18 O HETATM 3070 O HOH A1434 -23.986 -23.627 9.130 1.00 29.04 O HETATM 3071 O HOH A1435 -9.316 -4.022 14.079 1.00 26.76 O HETATM 3072 O HOH A1436 -34.472 -2.910 1.203 1.00 27.62 O HETATM 3073 O HOH A1437 -11.924 -6.701 1.415 1.00 31.56 O HETATM 3074 O HOH A1438 -15.233 -21.874 8.346 1.00 27.17 O HETATM 3075 O HOH A1439 -18.029 -10.574 -7.991 1.00 41.89 O HETATM 3076 O HOH A1440 -9.441 -1.123 17.320 1.00 22.35 O HETATM 3077 O HOH A1441 -10.082 14.806 1.739 1.00 37.39 O HETATM 3078 O HOH A1442 -5.938 -3.291 12.930 1.00 37.97 O HETATM 3079 O HOH A1443 -10.144 5.237 16.453 1.00 22.68 O HETATM 3080 O HOH A1444 -7.812 -0.266 2.934 1.00 31.53 O HETATM 3081 O HOH A1445 -34.565 -17.345 -3.191 1.00 25.81 O HETATM 3082 O HOH A1446 -18.285 14.597 15.618 1.00 24.78 O HETATM 3083 O HOH A1447 -9.391 -9.416 12.257 1.00 41.59 O HETATM 3084 O HOH A1448 -14.386 1.330 -2.820 1.00 31.35 O HETATM 3085 O HOH A1449 -22.851 14.495 5.079 1.00 41.60 O HETATM 3086 O HOH A1450 -22.522 13.749 17.957 1.00 27.69 O HETATM 3087 O HOH A1451 -22.816 12.656 6.948 1.00 28.25 O HETATM 3088 O HOH A1452 -12.159 -9.730 18.451 1.00 70.81 O HETATM 3089 O HOH A1453 -38.369 -1.665 14.339 1.00 35.88 O HETATM 3090 O HOH A1454 -31.510 -1.794 25.516 1.00 40.58 O HETATM 3091 O HOH A1455 -6.716 -4.850 17.451 1.00 43.38 O HETATM 3092 O HOH A1456 -15.122 -11.467 -5.811 1.00 32.82 O HETATM 3093 O HOH A1457 -10.279 -11.245 12.224 1.00 33.95 O HETATM 3094 O HOH A1458 -37.835 -3.668 -0.978 1.00 36.20 O HETATM 3095 O HOH A1459 -4.482 2.922 11.591 1.00 30.97 O HETATM 3096 O HOH A1460 -9.551 2.327 -3.035 1.00 30.76 O HETATM 3097 O HOH A1461 -19.980 6.898 -9.093 1.00 30.60 O HETATM 3098 O HOH A1462 -31.280 -29.731 2.834 1.00 43.31 O HETATM 3099 O HOH A1463 -6.495 -4.586 11.656 1.00 35.09 O HETATM 3100 O HOH A1464 -25.430 12.153 12.453 1.00 38.18 O HETATM 3101 O HOH A1465 -23.174 6.137 -9.952 1.00 38.49 O HETATM 3102 O HOH A1466 -18.549 -6.494 -9.439 1.00 27.02 O HETATM 3103 O HOH A1467 -7.903 13.135 -2.404 1.00 39.11 O HETATM 3104 O HOH A1468 -4.036 8.235 10.636 1.00 42.43 O HETATM 3105 O HOH A1469 -38.712 -1.959 4.982 1.00 33.06 O HETATM 3106 O HOH A1470 -32.082 -24.270 -0.371 1.00 31.97 O HETATM 3107 O HOH A1471 -25.171 -13.314 18.654 1.00 25.81 O HETATM 3108 O HOH A1472 -42.121 -4.107 9.162 1.00 30.75 O HETATM 3109 O HOH A1473 -30.017 -15.571 18.413 1.00 28.30 O HETATM 3110 O HOH A1474 -8.064 -2.011 2.087 1.00 31.11 O HETATM 3111 O HOH A1475 -7.961 -5.258 2.302 1.00 24.66 O HETATM 3112 O HOH A1476 -35.707 0.084 3.398 1.00 42.25 O HETATM 3113 O HOH A1477 -18.384 -18.048 -8.133 1.00 34.32 O HETATM 3114 O HOH A1478 -13.721 11.634 20.003 1.00 32.92 O HETATM 3115 O HOH A1479 -35.069 -1.127 18.645 1.00 34.89 O HETATM 3116 O HOH A1480 -25.438 -26.516 2.192 1.00 37.24 O HETATM 3117 O HOH A1481 -20.663 10.980 7.369 1.00 32.82 O HETATM 3118 O HOH A1482 -34.009 -22.405 -0.786 1.00 21.13 O HETATM 3119 O HOH A1483 -27.650 -16.718 -7.590 1.00 34.67 O HETATM 3120 O HOH A1484 -46.241 -13.258 10.024 1.00 34.46 O HETATM 3121 O HOH A1485 -28.275 -26.140 -0.613 1.00 46.68 O HETATM 3122 O HOH A1486 -8.753 3.797 18.216 1.00 27.92 O HETATM 3123 O HOH A1487 -22.786 -25.353 7.991 1.00 30.88 O HETATM 3124 O HOH A1488 -23.551 14.690 9.998 1.00 33.11 O HETATM 3125 O HOH A1489 -39.399 -14.422 -5.126 1.00 21.41 O HETATM 3126 O HOH A1490 -18.709 10.841 -6.140 1.00 37.52 O HETATM 3127 O HOH A1491 -41.633 -3.427 12.304 1.00 32.03 O HETATM 3128 O HOH A1492 -26.239 -24.814 10.408 1.00 29.52 O HETATM 3129 O HOH A1493 -21.384 -26.014 5.423 1.00 36.61 O HETATM 3130 O HOH A1494 -15.966 -0.072 -5.113 1.00 25.05 O HETATM 3131 O HOH A1495 -45.956 -11.312 8.172 1.00 27.91 O HETATM 3132 O HOH A1496 -18.709 -10.879 -10.885 1.00 37.20 O HETATM 3133 O HOH A1497 -19.158 -18.146 15.715 1.00 35.76 O HETATM 3134 O HOH A1498 -7.606 1.129 -1.365 1.00 33.09 O CONECT 1621 2836 CONECT 1645 2836 CONECT 2353 2836 CONECT 2395 2836 CONECT 2836 1621 1645 2353 2395 CONECT 2837 2838 2839 2840 2841 CONECT 2838 2837 CONECT 2839 2837 CONECT 2840 2837 CONECT 2841 2837 CONECT 2842 2847 2850 2893 2894 CONECT 2843 2878 CONECT 2844 2877 2885 2895 CONECT 2845 2865 2877 CONECT 2846 2851 2855 2860 2880 CONECT 2847 2842 2848 2850 2853 CONECT 2848 2847 2868 2896 CONECT 2849 2877 CONECT 2850 2842 2847 2856 2897 CONECT 2851 2846 2853 2898 CONECT 2852 2890 CONECT 2853 2847 2851 2866 CONECT 2854 2869 2888 2892 CONECT 2855 2846 CONECT 2856 2850 2867 2899 CONECT 2857 2872 2890 2891 CONECT 2858 2892 CONECT 2859 2865 2900 2901 2902 CONECT 2860 2846 CONECT 2861 2865 2903 2904 2905 CONECT 2862 2868 CONECT 2863 2865 2906 2907 2908 CONECT 2864 2887 2892 CONECT 2865 2845 2859 2861 2863 CONECT 2866 2853 CONECT 2867 2856 2870 2909 CONECT 2868 2848 2862 2872 CONECT 2869 2854 2881 2910 CONECT 2870 2867 2875 2911 2912 CONECT 2871 2873 2874 2913 CONECT 2872 2857 2868 2884 2914 CONECT 2873 2871 2881 2915 CONECT 2874 2871 2878 2916 CONECT 2875 2870 2876 2917 2918 CONECT 2876 2875 2879 2919 2920 CONECT 2877 2844 2845 2849 CONECT 2878 2843 2874 2883 CONECT 2879 2876 2882 2921 2922 CONECT 2880 2846 2886 2889 2923 CONECT 2881 2869 2873 2883 CONECT 2882 2879 2885 2924 2925 CONECT 2883 2878 2881 2888 CONECT 2884 2872 2887 2926 2927 CONECT 2885 2844 2882 2890 2928 CONECT 2886 2880 2889 2929 2930 CONECT 2887 2864 2884 2891 2931 CONECT 2888 2854 2883 2932 CONECT 2889 2880 2886 2933 2934 CONECT 2890 2852 2857 2885 CONECT 2891 2857 2887 2935 2936 CONECT 2892 2854 2858 2864 CONECT 2893 2842 CONECT 2894 2842 CONECT 2895 2844 CONECT 2896 2848 CONECT 2897 2850 CONECT 2898 2851 CONECT 2899 2856 CONECT 2900 2859 CONECT 2901 2859 CONECT 2902 2859 CONECT 2903 2861 CONECT 2904 2861 CONECT 2905 2861 CONECT 2906 2863 CONECT 2907 2863 CONECT 2908 2863 CONECT 2909 2867 CONECT 2910 2869 CONECT 2911 2870 CONECT 2912 2870 CONECT 2913 2871 CONECT 2914 2872 CONECT 2915 2873 CONECT 2916 2874 CONECT 2917 2875 CONECT 2918 2875 CONECT 2919 2876 CONECT 2920 2876 CONECT 2921 2879 CONECT 2922 2879 CONECT 2923 2880 CONECT 2924 2882 CONECT 2925 2882 CONECT 2926 2884 CONECT 2927 2884 CONECT 2928 2885 CONECT 2929 2886 CONECT 2930 2886 CONECT 2931 2887 CONECT 2932 2888 CONECT 2933 2889 CONECT 2934 2889 CONECT 2935 2891 CONECT 2936 2891 END