USER MOD reduce.3.24.130724 H: found=0, std=0, add=1540, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 07-MAY-20 7C2D TITLE ESTERASE ALINE4 MUTANT-S13A COMPND MOL_ID: 1; COMPND 2 MOLECULE: SGNH-HYDROLASE FAMILY ESTERASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ALINE4; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ALTERERYTHROBACTER INDICUS; SOURCE 3 ORGANISM_TAXID: 374177; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ESTERASE, SGNH-HYDROLASE FAMILY, MARINE, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR Z.LI,J.LI REVDAT 1 20-MAY-20 7C2D 0 SPRSDE 20-MAY-20 7C2D 6M46 JRNL AUTH Z.LI,J.LI JRNL TITL C-TERMINAL SWAPPED DIMERS REVEALED A NEW CATALYTIC MECHANISM JRNL TITL 2 OF SGNH-HYDROLASE FAMILY ESTERASES JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.14_3247 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.90 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.370 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 20382 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.172 REMARK 3 R VALUE (WORKING SET) : 0.171 REMARK 3 FREE R VALUE : 0.205 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.170 REMARK 3 FREE R VALUE TEST SET COUNT : 1053 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 39.9000 - 3.5000 1.00 2590 135 0.1830 0.2062 REMARK 3 2 3.5000 - 2.7800 1.00 2449 133 0.1655 0.1895 REMARK 3 3 2.7800 - 2.4300 1.00 2422 126 0.1733 0.2005 REMARK 3 4 2.4300 - 2.2000 1.00 2397 125 0.1599 0.1904 REMARK 3 5 2.2000 - 2.0500 1.00 2371 133 0.1559 0.2191 REMARK 3 6 2.0500 - 1.9300 1.00 2371 150 0.1634 0.1961 REMARK 3 7 1.9300 - 1.8300 1.00 2363 122 0.1617 0.2329 REMARK 3 8 1.8300 - 1.7500 1.00 2366 129 0.1958 0.2518 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) : 0.158 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.898 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 12.60 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.02 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 : 0.006 1535 REMARK 3 ANGLE : 0.781 2084 REMARK 3 CHIRALITY : 0.057 229 REMARK 3 PLANARITY : 0.006 282 REMARK 3 DIHEDRAL : 21.615 591 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 7C2D COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-MAY-20. REMARK 100 THE DEPOSITION ID IS D_1300016895. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-MAY-18 REMARK 200 TEMPERATURE (KELVIN) : 80 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97915 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20419 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 REMARK 200 RESOLUTION RANGE LOW (A) : 39.900 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 2.000 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.84 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.10400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 4JGG REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.44 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1M SODIUM ACETATE, 100MM HEPES, PH REMARK 280 7.5, 50MM CADMIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 291.15K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.90500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 30.41000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.90500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 30.41000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.90500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 30.41000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.90500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.90500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 30.41000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 80 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12050 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -5.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 373 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 442 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LYS A 189 REMARK 465 LYS A 190 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 304 O HOH A 314 2.06 REMARK 500 O HOH A 301 O HOH A 336 2.09 REMARK 500 O HOH A 396 O HOH A 412 2.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 12 -143.29 -116.77 REMARK 500 ASP A 162 -94.01 -141.88 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 203 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 31 OE1 REMARK 620 2 GLU A 31 OE2 52.0 REMARK 620 3 HOH A 423 O 135.3 84.3 REMARK 620 4 HOH A 379 O 87.1 138.1 137.4 REMARK 620 5 HOH A 422 O 78.4 94.3 98.3 84.5 REMARK 620 6 HOH A 428 O 99.2 91.7 90.1 85.8 170.1 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 201 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 91 OE2 REMARK 620 2 SER A 0 N 62.1 REMARK 620 3 SER A 0 OG 60.0 2.2 REMARK 620 4 GLU A 173 OE1 95.5 83.8 83.7 REMARK 620 5 GLU A 173 OE1 94.5 84.4 84.2 1.6 REMARK 620 6 GLU A 173 OE2 94.1 85.8 85.5 3.3 1.8 REMARK 620 7 GLU A 173 OE2 95.9 83.0 82.9 1.2 2.7 4.5 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 204 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 163 ND1 REMARK 620 2 HOH A 421 O 92.6 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 202 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 172 OE1 REMARK 620 2 GLU A 172 OE2 50.6 REMARK 620 3 HOH A 431 O 88.8 123.4 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 205 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 180 OD1 REMARK 620 2 HOH A 418 O 75.9 REMARK 620 3 HIS A 37 ND1 17.5 84.5 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 207 DBREF1 7C2D A 0 190 UNP A0A4P1LYH5_9SPHN DBREF2 7C2D A A0A4P1LYH5 1 191 SEQADV 7C2D ALA A 13 UNP A0A4P1LYH SER 14 ENGINEERED MUTATION SEQRES 1 A 191 SER MET GLY GLU SER ARG VAL ILE LEU ALA PHE GLY ASP SEQRES 2 A 191 ALA LEU PHE ALA GLY TYR GLY LEU ASP LYS GLY GLU SER SEQRES 3 A 191 TYR PRO ALA LYS LEU GLU THR ALA LEU ARG SER HIS GLY SEQRES 4 A 191 ILE ASN ALA ARG ILE ILE ASN ALA GLY VAL SER GLY ASP SEQRES 5 A 191 THR THR ALA ALA GLY LEU GLN ARG ILE LYS PHE VAL LEU SEQRES 6 A 191 ASP SER GLN PRO ASP LYS PRO GLU LEU ALA ILE VAL GLU SEQRES 7 A 191 LEU GLY GLY ASN ASP LEU LEU ARG GLY LEU SER PRO ALA SEQRES 8 A 191 GLU ALA ARG GLN ASN LEU SER GLY ILE LEU GLU GLU LEU SEQRES 9 A 191 GLN ARG ARG LYS ILE PRO ILE LEU LEU MET GLY MET ARG SEQRES 10 A 191 ALA PRO PRO ASN LEU GLY ALA LYS TYR GLN ARG GLU PHE SEQRES 11 A 191 ASP GLY ILE TYR PRO TYR LEU ALA GLU LYS TYR ASP ALA SEQRES 12 A 191 LYS LEU VAL PRO PHE PHE LEU GLU ALA VAL ALA ASP ARG SEQRES 13 A 191 PRO ASP LEU ILE GLN LYS ASP HIS VAL HIS PRO THR ALA SEQRES 14 A 191 ARG GLY VAL GLU GLU LEU VAL SER ALA THR SER ASN ALA SEQRES 15 A 191 VAL ALA LYS ALA LEU PRO ALA LYS LYS HET CD A 201 1 HET CD A 202 1 HET CD A 203 1 HET CD A 204 1 HET CD A 205 1 HET CD A 206 1 HET ACT A 207 4 HETNAM CD CADMIUM ION HETNAM ACT ACETATE ION FORMUL 2 CD 6(CD 2+) FORMUL 8 ACT C2 H3 O2 1- FORMUL 9 HOH *151(H2 O) HELIX 1 AA1 ASP A 12 GLY A 17 1 6 HELIX 2 AA2 SER A 25 SER A 36 1 12 HELIX 3 AA3 THR A 52 SER A 66 1 15 HELIX 4 AA4 GLY A 79 ARG A 85 1 7 HELIX 5 AA5 SER A 88 ARG A 106 1 19 HELIX 6 AA6 PRO A 118 LEU A 121 5 4 HELIX 7 AA7 GLY A 122 TYR A 140 1 19 HELIX 8 AA8 PHE A 147 ALA A 153 5 7 HELIX 9 AA9 ARG A 155 ILE A 159 5 5 HELIX 10 AB1 THR A 167 LEU A 186 1 20 SHEET 1 AA1 5 ALA A 41 GLY A 47 0 SHEET 2 AA1 5 ARG A 5 GLY A 11 1 N ARG A 5 O ARG A 42 SHEET 3 AA1 5 LEU A 73 GLU A 77 1 O ILE A 75 N LEU A 8 SHEET 4 AA1 5 ILE A 110 MET A 113 1 O MET A 113 N VAL A 76 SHEET 5 AA1 5 LYS A 143 VAL A 145 1 O LYS A 143 N LEU A 112 LINK OE2 GLU A 24 CD CD A 206 1555 1555 2.61 LINK OE1 GLU A 31 CD CD A 203 1555 1555 2.54 LINK OE2 GLU A 31 CD CD A 203 1555 1555 2.50 LINK OE2 GLU A 91 CD CD A 201 1555 1555 2.33 LINK ND1 HIS A 163 CD CD A 204 1555 1555 2.66 LINK OE1 GLU A 172 CD CD A 202 1555 1555 2.65 LINK OE2 GLU A 172 CD CD A 202 1555 1555 2.50 LINK OD1 ASN A 180 CD CD A 205 1555 1555 2.55 LINK CD CD A 202 O HOH A 431 1555 1555 2.62 LINK CD CD A 203 O HOH A 423 1555 1555 2.56 LINK CD CD A 203 O HOH A 379 1555 1555 2.56 LINK CD CD A 203 O HOH A 422 1555 1555 2.64 LINK CD CD A 205 O HOH A 418 1555 1555 2.64 LINK N SER A 0 CD CD A 201 1555 6455 2.47 LINK OG SER A 0 CD CD A 201 1555 6455 2.48 LINK ND1 HIS A 37 CD CD A 205 1555 7455 2.59 LINK OE1AGLU A 173 CD CD A 201 1555 3554 2.46 LINK OE1BGLU A 173 CD CD A 201 1555 3554 2.54 LINK OE2AGLU A 173 CD CD A 201 1555 3554 2.67 LINK OE2BGLU A 173 CD CD A 201 1555 3554 2.45 LINK CD CD A 203 O HOH A 428 1555 6455 2.63 LINK CD CD A 204 O HOH A 421 1555 2565 2.70 SITE *** AC1 3 SER A 0 GLU A 91 GLU A 173 SITE *** AC2 2 GLU A 172 HOH A 431 SITE *** AC3 6 GLU A 31 HOH A 379 HOH A 422 HOH A 423 SITE *** AC3 6 HOH A 428 HOH A 450 SITE *** AC4 4 HIS A 163 HIS A 165 ACT A 207 HOH A 421 SITE *** AC5 3 HIS A 37 ASN A 180 HOH A 418 SITE *** AC6 1 GLU A 24 SITE *** AC7 4 ASP A 12 ALA A 13 CD A 204 HOH A 307 CRYST1 79.810 79.810 60.820 90.00 90.00 90.00 P 42 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012530 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012530 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016442 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 : A 180 ASNHD21 : A 180 ASN OD1 : A 205 CDCD :(metal ligand) USER MOD NoAdj : A 180 ASNHD22 : A 180 ASN OD1 : A 205 CDCD :(metal ligand) USER MOD Set 1.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 113 MET CE :methyl -133:sc= -0.0111 (180deg=-0.173) USER MOD Set 2.1: A 53 THR OG1 : rot -85:sc= 1.54 USER MOD Set 2.2: A 95 ASN : amide:sc= 0.713 K(o=2.3,f=1.3) USER MOD Single : A 0 SER N :NH3+ 141:sc= 0.168 (180deg=0.00877) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 141:sc= -0.246 (180deg=-0.953) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.258 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.728 (180deg=0.655) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.0076) USER MOD Single : A 40 ASN : amide:sc= 1.05 K(o=1,f=0.25) USER MOD Single : A 45 ASN : amide:sc= 0.276 K(o=0.28,f=-5.4!) USER MOD Single : A 49 SER OG : rot 170:sc= 0 USER MOD Single : A 52 THR OG1 : rot 116:sc= 0.262 USER MOD Single : A 58 GLN : amide:sc= 1.37 X(o=1.4,f=1.2) USER MOD Single : A 61 LYS NZ A:NH3+ 169:sc= 0.25 (180deg=0.00564) USER MOD Single : A 61 LYS NZ B:NH3+ -129:sc= 1.18 (180deg=-0.388) USER MOD Single : A 66 SER OG : rot 81:sc= 0.878 USER MOD Single : A 67 GLN : amide:sc= 1.93 K(o=1.9,f=0.38) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 1.32 (180deg=1.21) USER MOD Single : A 81 ASN : amide:sc= 1.59 K(o=1.6,f=0.49) USER MOD Single : A 88 SER OG : rot 74:sc= 1.35 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 97 SER OG : rot 74:sc= 1.69 USER MOD Single : A 104 GLN : amide:sc= -0.0064 X(o=-0.0064,f=-0.033) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -169:sc= -0.374 (180deg=-0.625) USER MOD Single : A 120 ASN A: amide:sc= -0.338 K(o=-0.34,f=-2.5!) USER MOD Single : A 120 ASN B: amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 TYR OH : rot 157:sc= 1.32 USER MOD Single : A 126 GLN : amide:sc= 0.707 K(o=0.71,f=-0.11) USER MOD Single : A 133 TYR OH : rot -10:sc= 0.652 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.977) USER MOD Single : A 140 TYR OH : rot 18:sc= 0.239 USER MOD Single : A 143 LYS NZ A:NH3+ -144:sc= -0.262 (180deg=-0.907) USER MOD Single : A 143 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= 0.279 K(o=0.28,f=-2.1!) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 HIS : no HE2:sc= 0.785 K(o=0.78,f=-1.6) USER MOD Single : A 165 HIS : no HD1:sc= 0.632 K(o=0.63,f=-5.7!) USER MOD Single : A 167 THR OG1 : rot 164:sc= 1.62 USER MOD Single : A 176 SER OG A: rot 80:sc= 1.44 USER MOD Single : A 176 SER OG B: rot -34:sc= 1.25 USER MOD Single : A 178 THR OG1 : rot -73:sc= 1.22 USER MOD Single : A 179 SER OG : rot 76:sc= 0.702 USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.884 6.512 8.508 1.00 10.59 N ATOM 2 CA SER A 0 -23.839 5.749 9.177 1.00 17.08 C ATOM 3 C SER A 0 -24.343 5.501 10.559 1.00 15.64 C ATOM 4 O SER A 0 -25.133 6.291 11.070 1.00 15.54 O ATOM 5 CB SER A 0 -22.509 6.508 9.257 1.00 19.52 C ATOM 6 OG SER A 0 -21.966 6.772 7.978 1.00 22.37 O ATOM 0 H1 SER A 0 -24.513 7.134 7.991 1.00 10.59 H new ATOM 0 H2 SER A 0 -25.377 5.965 8.007 1.00 10.59 H new ATOM 0 H3 SER A 0 -25.402 6.904 9.117 1.00 10.59 H new ATOM 0 HA SER A 0 -23.660 4.935 8.681 1.00 17.08 H new ATOM 0 HB2 SER A 0 -22.644 7.345 9.728 1.00 19.52 H new ATOM 0 HB3 SER A 0 -21.874 5.990 9.776 1.00 19.52 H new ATOM 0 HG SER A 0 -21.241 7.189 8.062 1.00 22.37 H new ATOM 7 N MET A 1 -23.886 4.414 11.163 1.00 14.61 N ATOM 8 CA MET A 1 -24.132 4.159 12.571 1.00 15.36 C ATOM 9 C MET A 1 -22.948 4.650 13.399 1.00 20.55 C ATOM 10 O MET A 1 -21.800 4.632 12.947 1.00 21.95 O ATOM 11 CB MET A 1 -24.372 2.668 12.821 1.00 23.14 C ATOM 12 CG MET A 1 -25.720 2.152 12.293 1.00 19.11 C ATOM 13 SD MET A 1 -26.029 0.447 12.791 1.00 54.73 S ATOM 14 CE MET A 1 -26.022 0.604 14.578 1.00 33.71 C ATOM 0 H MET A 1 -23.425 3.805 10.768 1.00 14.61 H new ATOM 0 HA MET A 1 -24.930 4.641 12.838 1.00 15.36 H new ATOM 0 HB2 MET A 1 -23.657 2.161 12.405 1.00 23.14 H new ATOM 0 HB3 MET A 1 -24.323 2.498 13.775 1.00 23.14 H new ATOM 0 HG2 MET A 1 -26.435 2.719 12.622 1.00 19.11 H new ATOM 0 HG3 MET A 1 -25.733 2.213 11.325 1.00 19.11 H new ATOM 0 HE1 MET A 1 -26.712 0.036 14.956 1.00 33.71 H new ATOM 0 HE2 MET A 1 -25.157 0.334 14.923 1.00 33.71 H new ATOM 0 HE3 MET A 1 -26.194 1.527 14.823 1.00 33.71 H new ATOM 15 N GLY A 2 -23.243 5.129 14.602 1.00 15.03 N ATOM 16 CA GLY A 2 -22.230 5.311 15.621 1.00 13.60 C ATOM 17 C GLY A 2 -21.807 6.762 15.815 1.00 11.71 C ATOM 18 O GLY A 2 -22.075 7.651 15.004 1.00 12.88 O ATOM 0 H GLY A 2 -24.036 5.356 14.846 1.00 15.03 H new ATOM 0 HA2 GLY A 2 -22.565 4.965 16.463 1.00 13.60 H new ATOM 0 HA3 GLY A 2 -21.450 4.784 15.388 1.00 13.60 H new ATOM 19 N GLU A 3 -21.096 6.976 16.917 1.00 12.16 N ATOM 20 CA GLU A 3 -20.587 8.298 17.248 1.00 11.68 C ATOM 21 C GLU A 3 -19.474 8.715 16.292 1.00 13.37 C ATOM 22 O GLU A 3 -18.854 7.895 15.600 1.00 13.61 O ATOM 23 CB GLU A 3 -20.055 8.324 18.679 1.00 11.75 C ATOM 24 CG GLU A 3 -19.024 7.250 18.931 1.00 19.58 C ATOM 25 CD GLU A 3 -19.624 6.032 19.599 1.00 32.72 C ATOM 26 OE1 GLU A 3 -19.128 5.645 20.678 1.00 34.40 O ATOM 27 OE2 GLU A 3 -20.605 5.476 19.053 1.00 31.43 O ATOM 0 H GLU A 3 -20.897 6.364 17.488 1.00 12.16 H new ATOM 0 HA GLU A 3 -21.324 8.923 17.164 1.00 11.68 H new ATOM 0 HB2 GLU A 3 -19.664 9.193 18.860 1.00 11.75 H new ATOM 0 HB3 GLU A 3 -20.793 8.211 19.298 1.00 11.75 H new ATOM 0 HG2 GLU A 3 -18.618 6.989 18.090 1.00 19.58 H new ATOM 0 HG3 GLU A 3 -18.316 7.608 19.489 1.00 19.58 H new ATOM 28 N SER A 4 -19.204 10.017 16.286 1.00 11.61 N ATOM 29 CA SER A 4 -18.223 10.575 15.369 1.00 14.10 C ATOM 30 C SER A 4 -16.796 10.301 15.843 1.00 17.67 C ATOM 31 O SER A 4 -16.534 10.148 17.043 1.00 15.59 O ATOM 32 CB SER A 4 -18.453 12.081 15.219 1.00 13.59 C ATOM 33 OG SER A 4 -19.755 12.355 14.707 1.00 14.03 O ATOM 0 H SER A 4 -19.578 10.592 16.805 1.00 11.61 H new ATOM 0 HA SER A 4 -18.334 10.145 14.507 1.00 14.10 H new ATOM 0 HB2 SER A 4 -18.343 12.515 16.080 1.00 13.59 H new ATOM 0 HB3 SER A 4 -17.784 12.455 14.625 1.00 13.59 H new ATOM 0 HG SER A 4 -19.859 13.185 14.635 1.00 14.03 H new ATOM 34 N ARG A 5 -15.872 10.239 14.873 1.00 8.20 N ATOM 35 CA ARG A 5 -14.439 10.169 15.158 1.00 8.62 C ATOM 36 C ARG A 5 -13.934 11.526 15.627 1.00 18.69 C ATOM 37 O ARG A 5 -14.235 12.554 15.015 1.00 19.68 O ATOM 38 CB ARG A 5 -13.658 9.753 13.909 1.00 12.32 C ATOM 39 CG ARG A 5 -14.257 8.621 13.109 1.00 12.53 C ATOM 40 CD ARG A 5 -14.241 7.327 13.899 1.00 10.96 C ATOM 41 NE ARG A 5 -12.917 6.980 14.423 1.00 11.97 N ATOM 42 CZ ARG A 5 -11.924 6.482 13.692 1.00 9.10 C ATOM 43 NH1 ARG A 5 -12.082 6.281 12.390 1.00 14.25 N ATOM 44 NH2 ARG A 5 -10.763 6.188 14.266 1.00 13.13 N ATOM 0 H ARG A 5 -16.063 10.237 14.034 1.00 8.20 H new ATOM 0 HA ARG A 5 -14.303 9.507 15.854 1.00 8.62 H new ATOM 0 HB2 ARG A 5 -13.571 10.526 13.330 1.00 12.32 H new ATOM 0 HB3 ARG A 5 -12.762 9.498 14.178 1.00 12.32 H new ATOM 0 HG2 ARG A 5 -15.169 8.842 12.863 1.00 12.53 H new ATOM 0 HG3 ARG A 5 -13.760 8.506 12.284 1.00 12.53 H new ATOM 0 HD2 ARG A 5 -14.865 7.400 14.638 1.00 10.96 H new ATOM 0 HD3 ARG A 5 -14.556 6.606 13.332 1.00 10.96 H new ATOM 0 HE ARG A 5 -12.772 7.107 15.261 1.00 11.97 H new ATOM 0 HH11 ARG A 5 -12.831 6.473 12.013 1.00 14.25 H new ATOM 0 HH12 ARG A 5 -11.436 5.959 11.923 1.00 14.25 H new ATOM 0 HH21 ARG A 5 -10.654 6.320 15.109 1.00 13.13 H new ATOM 0 HH22 ARG A 5 -10.120 5.866 13.795 1.00 13.13 H new ATOM 45 N VAL A 6 -13.140 11.540 16.692 1.00 8.35 N ATOM 46 CA VAL A 6 -12.694 12.790 17.295 1.00 5.88 C ATOM 47 C VAL A 6 -11.281 13.102 16.817 1.00 5.99 C ATOM 48 O VAL A 6 -10.363 12.288 16.985 1.00 7.01 O ATOM 49 CB VAL A 6 -12.760 12.719 18.831 1.00 10.19 C ATOM 50 CG1 VAL A 6 -12.299 14.030 19.437 1.00 6.56 C ATOM 51 CG2 VAL A 6 -14.194 12.430 19.264 1.00 13.95 C ATOM 0 H VAL A 6 -12.847 10.832 17.082 1.00 8.35 H new ATOM 0 HA VAL A 6 -13.287 13.506 17.018 1.00 5.88 H new ATOM 0 HB VAL A 6 -12.176 12.009 19.141 1.00 10.19 H new ATOM 0 HG11 VAL A 6 -12.345 13.973 20.404 1.00 6.56 H new ATOM 0 HG12 VAL A 6 -11.384 14.208 19.167 1.00 6.56 H new ATOM 0 HG13 VAL A 6 -12.872 14.749 19.128 1.00 6.56 H new ATOM 0 HG21 VAL A 6 -14.237 12.385 20.232 1.00 13.95 H new ATOM 0 HG22 VAL A 6 -14.777 13.138 18.947 1.00 13.95 H new ATOM 0 HG23 VAL A 6 -14.481 11.583 18.888 1.00 13.95 H new ATOM 52 N ILE A 7 -11.107 14.293 16.244 1.00 5.76 N ATOM 53 CA ILE A 7 -9.815 14.782 15.759 1.00 4.21 C ATOM 54 C ILE A 7 -9.524 16.112 16.445 1.00 4.97 C ATOM 55 O ILE A 7 -10.381 17.000 16.470 1.00 8.21 O ATOM 56 CB ILE A 7 -9.815 14.950 14.225 1.00 4.50 C ATOM 57 CG1 ILE A 7 -10.112 13.612 13.537 1.00 5.88 C ATOM 58 CG2 ILE A 7 -8.477 15.531 13.732 1.00 7.00 C ATOM 59 CD1 ILE A 7 -10.357 13.748 12.026 1.00 9.83 C ATOM 0 H ILE A 7 -11.750 14.851 16.124 1.00 5.76 H new ATOM 0 HA ILE A 7 -9.124 14.135 15.972 1.00 4.21 H new ATOM 0 HB ILE A 7 -10.517 15.578 13.991 1.00 4.50 H new ATOM 0 HG12 ILE A 7 -9.368 13.007 13.685 1.00 5.88 H new ATOM 0 HG13 ILE A 7 -10.892 13.209 13.950 1.00 5.88 H new ATOM 0 HG21 ILE A 7 -8.502 15.627 12.767 1.00 7.00 H new ATOM 0 HG22 ILE A 7 -8.331 16.399 14.139 1.00 7.00 H new ATOM 0 HG23 ILE A 7 -7.754 14.933 13.979 1.00 7.00 H new ATOM 0 HD11 ILE A 7 -10.539 12.874 11.647 1.00 9.83 H new ATOM 0 HD12 ILE A 7 -11.117 14.331 11.872 1.00 9.83 H new ATOM 0 HD13 ILE A 7 -9.570 14.126 11.603 1.00 9.83 H new ATOM 60 N LEU A 8 -8.305 16.266 16.974 1.00 5.74 N ATOM 61 CA LEU A 8 -7.880 17.534 17.564 1.00 6.46 C ATOM 62 C LEU A 8 -7.106 18.343 16.531 1.00 5.49 C ATOM 63 O LEU A 8 -6.093 17.875 16.015 1.00 10.08 O ATOM 64 CB LEU A 8 -7.006 17.298 18.796 1.00 8.17 C ATOM 65 CG LEU A 8 -6.463 18.560 19.473 1.00 7.82 C ATOM 66 CD1 LEU A 8 -7.602 19.335 20.139 1.00 9.14 C ATOM 67 CD2 LEU A 8 -5.411 18.160 20.500 1.00 8.57 C ATOM 0 H LEU A 8 -7.711 15.645 17.000 1.00 5.74 H new ATOM 0 HA LEU A 8 -8.670 18.025 17.840 1.00 6.46 H new ATOM 0 HB2 LEU A 8 -7.521 16.797 19.447 1.00 8.17 H new ATOM 0 HB3 LEU A 8 -6.256 16.740 18.538 1.00 8.17 H new ATOM 0 HG LEU A 8 -6.056 19.138 18.808 1.00 7.82 H new ATOM 0 HD11 LEU A 8 -7.247 20.131 20.564 1.00 9.14 H new ATOM 0 HD12 LEU A 8 -8.255 19.591 19.469 1.00 9.14 H new ATOM 0 HD13 LEU A 8 -8.027 18.775 20.807 1.00 9.14 H new ATOM 0 HD21 LEU A 8 -5.062 18.955 20.933 1.00 8.57 H new ATOM 0 HD22 LEU A 8 -5.812 17.580 21.165 1.00 8.57 H new ATOM 0 HD23 LEU A 8 -4.687 17.691 20.056 1.00 8.57 H new ATOM 68 N ALA A 9 -7.588 19.546 16.230 1.00 4.00 N ATOM 69 CA ALA A 9 -6.872 20.488 15.364 1.00 5.97 C ATOM 70 C ALA A 9 -6.182 21.504 16.274 1.00 6.98 C ATOM 71 O ALA A 9 -6.809 22.461 16.740 1.00 5.53 O ATOM 72 CB ALA A 9 -7.825 21.167 14.390 1.00 9.11 C ATOM 0 H ALA A 9 -8.341 19.842 16.522 1.00 4.00 H new ATOM 0 HA ALA A 9 -6.215 20.024 14.822 1.00 5.97 H new ATOM 0 HB1 ALA A 9 -7.329 21.784 13.829 1.00 9.11 H new ATOM 0 HB2 ALA A 9 -8.252 20.496 13.834 1.00 9.11 H new ATOM 0 HB3 ALA A 9 -8.502 21.654 14.886 1.00 9.11 H new ATOM 73 N PHE A 10 -4.884 21.297 16.512 1.00 5.82 N ATOM 74 CA PHE A 10 -4.096 22.086 17.463 1.00 5.03 C ATOM 75 C PHE A 10 -3.207 23.051 16.678 1.00 4.67 C ATOM 76 O PHE A 10 -2.215 22.632 16.070 1.00 5.80 O ATOM 77 CB PHE A 10 -3.268 21.143 18.332 1.00 3.76 C ATOM 78 CG PHE A 10 -2.629 21.809 19.524 1.00 4.64 C ATOM 79 CD1 PHE A 10 -3.397 22.190 20.603 1.00 6.48 C ATOM 80 CD2 PHE A 10 -1.254 22.041 19.559 1.00 4.67 C ATOM 81 CE1 PHE A 10 -2.809 22.812 21.715 1.00 8.07 C ATOM 82 CE2 PHE A 10 -0.658 22.647 20.663 1.00 6.76 C ATOM 83 CZ PHE A 10 -1.439 23.036 21.741 1.00 7.94 C ATOM 0 H PHE A 10 -4.429 20.683 16.118 1.00 5.82 H new ATOM 0 HA PHE A 10 -4.673 22.603 18.047 1.00 5.03 H new ATOM 0 HB2 PHE A 10 -3.837 20.421 18.643 1.00 3.76 H new ATOM 0 HB3 PHE A 10 -2.573 20.742 17.787 1.00 3.76 H new ATOM 0 HD1 PHE A 10 -4.314 22.033 20.594 1.00 6.48 H new ATOM 0 HD2 PHE A 10 -0.728 21.788 18.835 1.00 4.67 H new ATOM 0 HE1 PHE A 10 -3.337 23.074 22.434 1.00 8.07 H new ATOM 0 HE2 PHE A 10 0.261 22.790 20.677 1.00 6.76 H new ATOM 0 HZ PHE A 10 -1.047 23.445 22.478 1.00 7.94 H new ATOM 84 N GLY A 11 -3.555 24.328 16.675 1.00 4.98 N ATOM 85 CA GLY A 11 -2.862 25.240 15.790 1.00 4.55 C ATOM 86 C GLY A 11 -3.047 26.703 16.129 1.00 4.31 C ATOM 87 O GLY A 11 -3.391 27.062 17.254 1.00 5.21 O ATOM 0 H GLY A 11 -4.171 24.677 17.163 1.00 4.98 H new ATOM 0 HA2 GLY A 11 -1.915 25.033 15.807 1.00 4.55 H new ATOM 0 HA3 GLY A 11 -3.169 25.088 14.882 1.00 4.55 H new ATOM 88 N ASP A 12 -2.798 27.550 15.128 1.00 6.59 N ATOM 89 CA ASP A 12 -2.811 28.992 15.348 1.00 10.03 C ATOM 90 C ASP A 12 -3.924 29.631 14.517 1.00 6.73 C ATOM 91 O ASP A 12 -4.998 29.042 14.378 1.00 6.19 O ATOM 92 CB ASP A 12 -1.427 29.603 15.053 1.00 6.17 C ATOM 93 CG ASP A 12 -0.905 29.270 13.650 1.00 11.14 C ATOM 94 OD1 ASP A 12 -1.732 29.107 12.733 1.00 7.31 O ATOM 95 OD2 ASP A 12 0.337 29.183 13.472 1.00 9.78 O ATOM 0 H ASP A 12 -2.621 27.310 14.321 1.00 6.59 H new ATOM 0 HA ASP A 12 -3.000 29.176 16.282 1.00 10.03 H new ATOM 0 HB2 ASP A 12 -1.478 30.567 15.152 1.00 6.17 H new ATOM 0 HB3 ASP A 12 -0.792 29.283 15.712 1.00 6.17 H new ATOM 96 N ALA A 13 -3.696 30.833 13.973 1.00 7.52 N ATOM 97 CA ALA A 13 -4.748 31.524 13.224 1.00 10.15 C ATOM 98 C ALA A 13 -5.222 30.725 12.018 1.00 8.31 C ATOM 99 O ALA A 13 -6.376 30.877 11.583 1.00 9.35 O ATOM 100 CB ALA A 13 -4.252 32.893 12.750 1.00 11.40 C ATOM 0 H ALA A 13 -2.950 31.258 14.026 1.00 7.52 H new ATOM 0 HA ALA A 13 -5.498 31.629 13.830 1.00 10.15 H new ATOM 0 HB1 ALA A 13 -4.957 33.340 12.256 1.00 11.40 H new ATOM 0 HB2 ALA A 13 -4.005 33.432 13.518 1.00 11.40 H new ATOM 0 HB3 ALA A 13 -3.479 32.776 12.175 1.00 11.40 H new ATOM 101 N LEU A 14 -4.341 29.915 11.430 1.00 7.38 N ATOM 102 CA LEU A 14 -4.743 29.121 10.273 1.00 9.33 C ATOM 103 C LEU A 14 -5.771 28.052 10.635 1.00 9.78 C ATOM 104 O LEU A 14 -6.511 27.604 9.754 1.00 13.28 O ATOM 105 CB LEU A 14 -3.517 28.470 9.629 1.00 9.67 C ATOM 106 CG LEU A 14 -2.397 29.373 9.090 1.00 16.16 C ATOM 107 CD1 LEU A 14 -1.337 28.505 8.397 1.00 16.94 C ATOM 108 CD2 LEU A 14 -2.933 30.442 8.125 1.00 17.04 C ATOM 0 H LEU A 14 -3.524 29.813 11.679 1.00 7.38 H new ATOM 0 HA LEU A 14 -5.162 29.725 9.640 1.00 9.33 H new ATOM 0 HB2 LEU A 14 -3.123 27.873 10.284 1.00 9.67 H new ATOM 0 HB3 LEU A 14 -3.829 27.919 8.894 1.00 9.67 H new ATOM 0 HG LEU A 14 -1.999 29.843 9.839 1.00 16.16 H new ATOM 0 HD11 LEU A 14 -0.628 29.071 8.055 1.00 16.94 H new ATOM 0 HD12 LEU A 14 -0.968 27.874 9.035 1.00 16.94 H new ATOM 0 HD13 LEU A 14 -1.745 28.020 7.663 1.00 16.94 H new ATOM 0 HD21 LEU A 14 -2.198 30.990 7.808 1.00 17.04 H new ATOM 0 HD22 LEU A 14 -3.363 30.010 7.370 1.00 17.04 H new ATOM 0 HD23 LEU A 14 -3.577 31.002 8.587 1.00 17.04 H new ATOM 109 N PHE A 15 -5.815 27.607 11.895 1.00 7.53 N ATOM 110 CA PHE A 15 -6.895 26.734 12.337 1.00 6.18 C ATOM 111 C PHE A 15 -8.042 27.499 12.986 1.00 10.37 C ATOM 112 O PHE A 15 -9.198 27.074 12.872 1.00 9.00 O ATOM 113 CB PHE A 15 -6.383 25.679 13.328 1.00 8.46 C ATOM 114 CG PHE A 15 -5.663 24.506 12.682 1.00 6.74 C ATOM 115 CD1 PHE A 15 -5.499 24.428 11.304 1.00 7.98 C ATOM 116 CD2 PHE A 15 -5.157 23.474 13.473 1.00 5.95 C ATOM 117 CE1 PHE A 15 -4.835 23.341 10.715 1.00 7.04 C ATOM 118 CE2 PHE A 15 -4.493 22.379 12.897 1.00 7.12 C ATOM 119 CZ PHE A 15 -4.335 22.307 11.517 1.00 6.26 C ATOM 0 H PHE A 15 -5.234 27.799 12.500 1.00 7.53 H new ATOM 0 HA PHE A 15 -7.231 26.302 11.536 1.00 6.18 H new ATOM 0 HB2 PHE A 15 -5.781 26.107 13.957 1.00 8.46 H new ATOM 0 HB3 PHE A 15 -7.134 25.341 13.840 1.00 8.46 H new ATOM 0 HD1 PHE A 15 -5.835 25.107 10.764 1.00 7.98 H new ATOM 0 HD2 PHE A 15 -5.261 23.512 14.396 1.00 5.95 H new ATOM 0 HE1 PHE A 15 -4.727 23.307 9.792 1.00 7.04 H new ATOM 0 HE2 PHE A 15 -4.159 21.701 13.439 1.00 7.12 H new ATOM 0 HZ PHE A 15 -3.902 21.580 11.131 1.00 6.26 H new ATOM 120 N ALA A 16 -7.758 28.602 13.684 1.00 6.83 N ATOM 121 CA ALA A 16 -8.825 29.332 14.366 1.00 7.45 C ATOM 122 C ALA A 16 -9.818 29.962 13.396 1.00 10.68 C ATOM 123 O ALA A 16 -10.946 30.259 13.798 1.00 14.40 O ATOM 124 CB ALA A 16 -8.245 30.422 15.265 1.00 9.41 C ATOM 0 H ALA A 16 -6.971 28.937 13.773 1.00 6.83 H new ATOM 0 HA ALA A 16 -9.302 28.679 14.901 1.00 7.45 H new ATOM 0 HB1 ALA A 16 -8.967 30.894 15.708 1.00 9.41 H new ATOM 0 HB2 ALA A 16 -7.666 30.019 15.931 1.00 9.41 H new ATOM 0 HB3 ALA A 16 -7.733 31.046 14.728 1.00 9.41 H new ATOM 125 N GLY A 17 -9.432 30.163 12.142 1.00 9.62 N ATOM 126 CA GLY A 17 -10.328 30.779 11.179 1.00 12.12 C ATOM 127 C GLY A 17 -10.325 32.286 11.255 1.00 16.67 C ATOM 128 O GLY A 17 -11.373 32.922 11.069 1.00 16.06 O ATOM 0 H GLY A 17 -8.659 29.950 11.831 1.00 9.62 H new ATOM 0 HA2 GLY A 17 -10.072 30.504 10.285 1.00 12.12 H new ATOM 0 HA3 GLY A 17 -11.230 30.454 11.329 1.00 12.12 H new ATOM 129 N TYR A 18 -9.170 32.876 11.545 1.00 11.87 N ATOM 130 CA TYR A 18 -9.069 34.321 11.668 1.00 12.35 C ATOM 131 C TYR A 18 -9.511 34.988 10.372 1.00 14.95 C ATOM 132 O TYR A 18 -9.076 34.606 9.283 1.00 15.17 O ATOM 133 CB TYR A 18 -7.630 34.703 12.011 1.00 21.65 C ATOM 134 CG TYR A 18 -7.336 36.176 11.880 1.00 23.84 C ATOM 135 CD1 TYR A 18 -7.545 37.044 12.940 1.00 34.03 C ATOM 136 CD2 TYR A 18 -6.844 36.698 10.692 1.00 33.44 C ATOM 137 CE1 TYR A 18 -7.277 38.401 12.816 1.00 26.69 C ATOM 138 CE2 TYR A 18 -6.574 38.043 10.559 1.00 41.52 C ATOM 139 CZ TYR A 18 -6.788 38.890 11.622 1.00 33.68 C ATOM 140 OH TYR A 18 -6.511 40.235 11.477 1.00 43.38 O ATOM 0 H TYR A 18 -8.432 32.454 11.674 1.00 11.87 H new ATOM 0 HA TYR A 18 -9.652 34.627 12.380 1.00 12.35 H new ATOM 0 HB2 TYR A 18 -7.440 34.425 12.921 1.00 21.65 H new ATOM 0 HB3 TYR A 18 -7.028 34.210 11.432 1.00 21.65 H new ATOM 0 HD1 TYR A 18 -7.869 36.713 13.746 1.00 34.03 H new ATOM 0 HD2 TYR A 18 -6.694 36.129 9.972 1.00 33.44 H new ATOM 0 HE1 TYR A 18 -7.426 38.976 13.532 1.00 26.69 H new ATOM 0 HE2 TYR A 18 -6.249 38.377 9.754 1.00 41.52 H new ATOM 0 HH TYR A 18 -6.222 40.380 10.702 1.00 43.38 H new ATOM 141 N GLY A 19 -10.391 35.982 10.494 1.00 15.27 N ATOM 142 CA GLY A 19 -10.863 36.722 9.340 1.00 10.57 C ATOM 143 C GLY A 19 -11.999 36.075 8.584 1.00 14.40 C ATOM 144 O GLY A 19 -12.450 36.638 7.575 1.00 13.97 O ATOM 0 H GLY A 19 -10.725 36.240 11.243 1.00 15.27 H new ATOM 0 HA2 GLY A 19 -11.147 37.602 9.632 1.00 10.57 H new ATOM 0 HA3 GLY A 19 -10.120 36.852 8.730 1.00 10.57 H new ATOM 145 N LEU A 20 -12.488 34.925 9.041 1.00 11.50 N ATOM 146 CA LEU A 20 -13.499 34.159 8.330 1.00 14.07 C ATOM 147 C LEU A 20 -14.785 34.073 9.141 1.00 14.58 C ATOM 148 O LEU A 20 -14.794 34.232 10.367 1.00 18.45 O ATOM 149 CB LEU A 20 -13.006 32.744 8.018 1.00 12.10 C ATOM 150 CG LEU A 20 -11.674 32.665 7.280 1.00 11.69 C ATOM 151 CD1 LEU A 20 -11.269 31.224 7.096 1.00 13.50 C ATOM 152 CD2 LEU A 20 -11.768 33.372 5.932 1.00 16.05 C ATOM 0 H LEU A 20 -12.237 34.566 9.781 1.00 11.50 H new ATOM 0 HA LEU A 20 -13.675 34.622 7.496 1.00 14.07 H new ATOM 0 HB2 LEU A 20 -12.926 32.254 8.851 1.00 12.10 H new ATOM 0 HB3 LEU A 20 -13.680 32.292 7.487 1.00 12.10 H new ATOM 0 HG LEU A 20 -10.996 33.112 7.811 1.00 11.69 H new ATOM 0 HD11 LEU A 20 -10.421 31.183 6.626 1.00 13.50 H new ATOM 0 HD12 LEU A 20 -11.178 30.800 7.964 1.00 13.50 H new ATOM 0 HD13 LEU A 20 -11.947 30.761 6.580 1.00 13.50 H new ATOM 0 HD21 LEU A 20 -10.914 33.313 5.475 1.00 16.05 H new ATOM 0 HD22 LEU A 20 -12.453 32.949 5.391 1.00 16.05 H new ATOM 0 HD23 LEU A 20 -11.996 34.304 6.071 1.00 16.05 H new ATOM 153 N ASP A 21 -15.871 33.789 8.434 1.00 19.19 N ATOM 154 CA ASP A 21 -17.173 33.636 9.058 1.00 20.71 C ATOM 155 C ASP A 21 -17.313 32.254 9.697 1.00 28.34 C ATOM 156 O ASP A 21 -16.495 31.349 9.496 1.00 19.22 O ATOM 157 CB ASP A 21 -18.285 33.862 8.030 1.00 24.65 C ATOM 158 CG ASP A 21 -18.472 35.328 7.682 1.00 32.94 C ATOM 159 OD1 ASP A 21 -18.186 36.187 8.541 1.00 44.47 O ATOM 160 OD2 ASP A 21 -18.917 35.623 6.553 1.00 43.86 O ATOM 0 H ASP A 21 -15.872 33.680 7.581 1.00 19.19 H new ATOM 0 HA ASP A 21 -17.254 34.303 9.758 1.00 20.71 H new ATOM 0 HB2 ASP A 21 -18.080 33.365 7.222 1.00 24.65 H new ATOM 0 HB3 ASP A 21 -19.118 33.507 8.377 1.00 24.65 H new ATOM 161 N LYS A 22 -18.376 32.106 10.485 1.00 23.47 N ATOM 162 CA LYS A 22 -18.700 30.832 11.112 1.00 29.35 C ATOM 163 C LYS A 22 -18.745 29.714 10.075 1.00 20.13 C ATOM 164 O LYS A 22 -19.381 29.848 9.023 1.00 22.17 O ATOM 165 CB LYS A 22 -20.045 30.943 11.834 1.00 35.73 C ATOM 166 CG LYS A 22 -20.566 29.639 12.410 1.00 44.06 C ATOM 167 CD LYS A 22 -21.943 29.815 13.047 1.00 62.37 C ATOM 168 CE LYS A 22 -22.989 30.265 12.028 1.00 59.49 C ATOM 169 NZ LYS A 22 -24.374 30.280 12.594 1.00 49.34 N ATOM 0 H LYS A 22 -18.927 32.740 10.669 1.00 23.47 H new ATOM 0 HA LYS A 22 -18.008 30.616 11.756 1.00 29.35 H new ATOM 0 HB2 LYS A 22 -19.960 31.589 12.553 1.00 35.73 H new ATOM 0 HB3 LYS A 22 -20.703 31.294 11.214 1.00 35.73 H new ATOM 0 HG2 LYS A 22 -20.617 28.972 11.708 1.00 44.06 H new ATOM 0 HG3 LYS A 22 -19.942 29.306 13.074 1.00 44.06 H new ATOM 0 HD2 LYS A 22 -22.223 28.977 13.449 1.00 62.37 H new ATOM 0 HD3 LYS A 22 -21.887 30.468 13.762 1.00 62.37 H new ATOM 0 HE2 LYS A 22 -22.764 31.153 11.709 1.00 59.49 H new ATOM 0 HE3 LYS A 22 -22.963 29.673 11.260 1.00 59.49 H new ATOM 0 HZ1 LYS A 22 -24.948 30.547 11.968 1.00 49.34 H new ATOM 0 HZ2 LYS A 22 -24.593 29.461 12.866 1.00 49.34 H new ATOM 0 HZ3 LYS A 22 -24.407 30.841 13.285 1.00 49.34 H new ATOM 170 N GLY A 23 -18.047 28.617 10.366 1.00 18.23 N ATOM 171 CA GLY A 23 -18.058 27.455 9.498 1.00 18.47 C ATOM 172 C GLY A 23 -17.121 27.511 8.311 1.00 14.79 C ATOM 173 O GLY A 23 -17.088 26.552 7.529 1.00 13.29 O ATOM 0 H GLY A 23 -17.559 28.531 11.069 1.00 18.23 H new ATOM 0 HA2 GLY A 23 -17.835 26.674 10.028 1.00 18.47 H new ATOM 0 HA3 GLY A 23 -18.962 27.326 9.170 1.00 18.47 H new ATOM 174 N GLU A 24 -16.362 28.595 8.144 1.00 10.66 N ATOM 175 CA GLU A 24 -15.437 28.730 7.026 1.00 10.97 C ATOM 176 C GLU A 24 -14.013 28.331 7.379 1.00 10.34 C ATOM 177 O GLU A 24 -13.163 28.258 6.478 1.00 10.39 O ATOM 178 CB GLU A 24 -15.441 30.172 6.513 1.00 12.17 C ATOM 179 CG GLU A 24 -16.744 30.546 5.832 1.00 16.63 C ATOM 180 CD GLU A 24 -16.766 31.974 5.308 1.00 15.19 C ATOM 181 OE1 GLU A 24 -16.008 32.833 5.799 1.00 16.89 O ATOM 182 OE2 GLU A 24 -17.558 32.232 4.387 1.00 16.89 O ATOM 0 H GLU A 24 -16.371 29.270 8.677 1.00 10.66 H new ATOM 0 HA GLU A 24 -15.747 28.121 6.337 1.00 10.97 H new ATOM 0 HB2 GLU A 24 -15.283 30.776 7.255 1.00 12.17 H new ATOM 0 HB3 GLU A 24 -14.708 30.292 5.889 1.00 12.17 H new ATOM 0 HG2 GLU A 24 -16.902 29.936 5.095 1.00 16.63 H new ATOM 0 HG3 GLU A 24 -17.474 30.428 6.459 1.00 16.63 H new ATOM 183 N SER A 25 -13.732 28.080 8.657 1.00 8.55 N ATOM 184 CA SER A 25 -12.373 27.757 9.064 1.00 7.39 C ATOM 185 C SER A 25 -11.934 26.421 8.482 1.00 8.57 C ATOM 186 O SER A 25 -12.752 25.581 8.090 1.00 7.35 O ATOM 187 CB SER A 25 -12.264 27.691 10.587 1.00 11.68 C ATOM 188 OG SER A 25 -12.845 26.492 11.067 1.00 10.64 O ATOM 0 H SER A 25 -14.309 28.092 9.295 1.00 8.55 H new ATOM 0 HA SER A 25 -11.795 28.460 8.728 1.00 7.39 H new ATOM 0 HB2 SER A 25 -11.332 27.736 10.854 1.00 11.68 H new ATOM 0 HB3 SER A 25 -12.710 28.456 10.983 1.00 11.68 H new ATOM 0 HG SER A 25 -12.779 26.464 11.904 1.00 10.64 H new ATOM 189 N TYR A 26 -10.612 26.217 8.452 1.00 6.83 N ATOM 190 CA TYR A 26 -10.080 24.951 7.953 1.00 5.49 C ATOM 191 C TYR A 26 -10.605 23.753 8.737 1.00 8.40 C ATOM 192 O TYR A 26 -11.017 22.764 8.106 1.00 5.78 O ATOM 193 CB TYR A 26 -8.541 25.009 7.934 1.00 5.52 C ATOM 194 CG TYR A 26 -7.886 23.701 7.567 1.00 6.90 C ATOM 195 CD1 TYR A 26 -7.602 23.384 6.245 1.00 5.73 C ATOM 196 CD2 TYR A 26 -7.562 22.772 8.549 1.00 8.54 C ATOM 197 CE1 TYR A 26 -7.012 22.165 5.916 1.00 4.42 C ATOM 198 CE2 TYR A 26 -6.975 21.561 8.234 1.00 6.83 C ATOM 199 CZ TYR A 26 -6.703 21.258 6.920 1.00 9.19 C ATOM 200 OH TYR A 26 -6.122 20.036 6.632 1.00 7.99 O ATOM 0 H TYR A 26 -10.021 26.786 8.710 1.00 6.83 H new ATOM 0 HA TYR A 26 -10.393 24.823 7.044 1.00 5.49 H new ATOM 0 HB2 TYR A 26 -8.259 25.690 7.303 1.00 5.52 H new ATOM 0 HB3 TYR A 26 -8.225 25.285 8.809 1.00 5.52 H new ATOM 0 HD1 TYR A 26 -7.808 23.992 5.572 1.00 5.73 H new ATOM 0 HD2 TYR A 26 -7.745 22.970 9.439 1.00 8.54 H new ATOM 0 HE1 TYR A 26 -6.826 21.960 5.028 1.00 4.42 H new ATOM 0 HE2 TYR A 26 -6.765 20.954 8.907 1.00 6.83 H new ATOM 0 HH TYR A 26 -6.000 19.609 7.345 1.00 7.99 H new ATOM 201 N PRO A 27 -10.635 23.755 10.075 1.00 7.80 N ATOM 202 CA PRO A 27 -11.207 22.588 10.766 1.00 5.43 C ATOM 203 C PRO A 27 -12.657 22.326 10.403 1.00 8.61 C ATOM 204 O PRO A 27 -13.043 21.163 10.206 1.00 8.81 O ATOM 205 CB PRO A 27 -11.040 22.953 12.251 1.00 7.02 C ATOM 206 CG PRO A 27 -9.806 23.822 12.256 1.00 9.37 C ATOM 207 CD PRO A 27 -9.965 24.672 11.018 1.00 11.58 C ATOM 0 HA PRO A 27 -10.765 21.761 10.518 1.00 5.43 H new ATOM 0 HB2 PRO A 27 -11.814 23.428 12.593 1.00 7.02 H new ATOM 0 HB3 PRO A 27 -10.925 22.164 12.803 1.00 7.02 H new ATOM 0 HG2 PRO A 27 -9.756 24.366 13.058 1.00 9.37 H new ATOM 0 HG3 PRO A 27 -8.995 23.291 12.222 1.00 9.37 H new ATOM 0 HD2 PRO A 27 -10.499 25.463 11.191 1.00 11.58 H new ATOM 0 HD3 PRO A 27 -9.109 24.976 10.678 1.00 11.58 H new ATOM 208 N ALA A 28 -13.473 23.377 10.316 1.00 8.27 N ATOM 209 CA ALA A 28 -14.883 23.204 9.970 1.00 6.84 C ATOM 210 C ALA A 28 -15.035 22.620 8.568 1.00 9.21 C ATOM 211 O ALA A 28 -15.814 21.681 8.355 1.00 8.72 O ATOM 212 CB ALA A 28 -15.623 24.544 10.087 1.00 8.37 C ATOM 0 H ALA A 28 -13.232 24.191 10.452 1.00 8.27 H new ATOM 0 HA ALA A 28 -15.278 22.576 10.595 1.00 6.84 H new ATOM 0 HB1 ALA A 28 -16.557 24.419 9.856 1.00 8.37 H new ATOM 0 HB2 ALA A 28 -15.557 24.872 10.997 1.00 8.37 H new ATOM 0 HB3 ALA A 28 -15.224 25.188 9.482 1.00 8.37 H new ATOM 213 N LYS A 29 -14.286 23.151 7.595 1.00 7.10 N ATOM 214 CA LYS A 29 -14.418 22.659 6.225 1.00 8.81 C ATOM 215 C LYS A 29 -13.771 21.291 6.065 1.00 9.72 C ATOM 216 O LYS A 29 -14.244 20.469 5.269 1.00 9.52 O ATOM 217 CB LYS A 29 -13.820 23.673 5.242 1.00 8.04 C ATOM 218 CG LYS A 29 -14.666 24.940 5.097 1.00 7.75 C ATOM 219 CD LYS A 29 -15.940 24.633 4.290 1.00 13.86 C ATOM 220 CE LYS A 29 -16.853 25.852 4.178 1.00 20.68 C ATOM 221 NZ LYS A 29 -16.470 26.766 3.055 1.00 15.47 N ATOM 0 H LYS A 29 -13.711 23.781 7.705 1.00 7.10 H new ATOM 0 HA LYS A 29 -15.362 22.556 6.026 1.00 8.81 H new ATOM 0 HB2 LYS A 29 -12.930 23.917 5.540 1.00 8.04 H new ATOM 0 HB3 LYS A 29 -13.723 23.254 4.373 1.00 8.04 H new ATOM 0 HG2 LYS A 29 -14.904 25.281 5.973 1.00 7.75 H new ATOM 0 HG3 LYS A 29 -14.152 25.632 4.653 1.00 7.75 H new ATOM 0 HD2 LYS A 29 -15.694 24.331 3.402 1.00 13.86 H new ATOM 0 HD3 LYS A 29 -16.423 23.906 4.713 1.00 13.86 H new ATOM 0 HE2 LYS A 29 -17.767 25.555 4.049 1.00 20.68 H new ATOM 0 HE3 LYS A 29 -16.830 26.345 5.013 1.00 20.68 H new ATOM 0 HZ1 LYS A 29 -17.126 27.349 2.910 1.00 15.47 H new ATOM 0 HZ2 LYS A 29 -15.726 27.205 3.270 1.00 15.47 H new ATOM 0 HZ3 LYS A 29 -16.330 26.288 2.318 1.00 15.47 H new ATOM 222 N LEU A 30 -12.701 21.020 6.818 1.00 5.76 N ATOM 223 CA LEU A 30 -12.120 19.682 6.805 1.00 6.90 C ATOM 224 C LEU A 30 -13.113 18.656 7.333 1.00 8.72 C ATOM 225 O LEU A 30 -13.210 17.543 6.800 1.00 7.78 O ATOM 226 CB LEU A 30 -10.835 19.658 7.638 1.00 6.62 C ATOM 227 CG LEU A 30 -10.147 18.303 7.826 1.00 8.21 C ATOM 228 CD1 LEU A 30 -9.677 17.725 6.500 1.00 6.11 C ATOM 229 CD2 LEU A 30 -8.975 18.465 8.793 1.00 7.19 C ATOM 0 H LEU A 30 -12.306 21.586 7.332 1.00 5.76 H new ATOM 0 HA LEU A 30 -11.904 19.450 5.888 1.00 6.90 H new ATOM 0 HB2 LEU A 30 -10.199 20.263 7.226 1.00 6.62 H new ATOM 0 HB3 LEU A 30 -11.039 20.016 8.516 1.00 6.62 H new ATOM 0 HG LEU A 30 -10.789 17.677 8.197 1.00 8.21 H new ATOM 0 HD11 LEU A 30 -9.247 16.869 6.654 1.00 6.11 H new ATOM 0 HD12 LEU A 30 -10.439 17.602 5.912 1.00 6.11 H new ATOM 0 HD13 LEU A 30 -9.045 18.334 6.087 1.00 6.11 H new ATOM 0 HD21 LEU A 30 -8.536 17.609 8.916 1.00 7.19 H new ATOM 0 HD22 LEU A 30 -8.342 19.104 8.430 1.00 7.19 H new ATOM 0 HD23 LEU A 30 -9.303 18.785 9.648 1.00 7.19 H new ATOM 230 N GLU A 31 -13.861 19.016 8.380 1.00 4.71 N ATOM 231 CA GLU A 31 -14.860 18.094 8.916 1.00 8.82 C ATOM 232 C GLU A 31 -15.870 17.699 7.842 1.00 14.83 C ATOM 233 O GLU A 31 -16.192 16.513 7.678 1.00 11.76 O ATOM 234 CB GLU A 31 -15.546 18.736 10.118 1.00 17.59 C ATOM 235 CG GLU A 31 -16.480 17.821 10.837 1.00 17.15 C ATOM 236 CD GLU A 31 -17.071 18.484 12.040 1.00 25.10 C ATOM 237 OE1 GLU A 31 -16.317 18.780 13.000 1.00 14.45 O ATOM 238 OE2 GLU A 31 -18.293 18.732 12.015 1.00 20.12 O ATOM 0 H GLU A 31 -13.807 19.773 8.785 1.00 4.71 H new ATOM 0 HA GLU A 31 -14.421 17.279 9.206 1.00 8.82 H new ATOM 0 HB2 GLU A 31 -14.869 19.046 10.739 1.00 17.59 H new ATOM 0 HB3 GLU A 31 -16.037 19.518 9.820 1.00 17.59 H new ATOM 0 HG2 GLU A 31 -17.190 17.543 10.237 1.00 17.15 H new ATOM 0 HG3 GLU A 31 -16.006 17.019 11.107 1.00 17.15 H new ATOM 239 N THR A 32 -16.336 18.671 7.061 1.00 9.20 N ATOM 240 CA THR A 32 -17.292 18.361 6.003 1.00 12.50 C ATOM 241 C THR A 32 -16.642 17.530 4.911 1.00 14.46 C ATOM 242 O THR A 32 -17.243 16.572 4.405 1.00 12.99 O ATOM 243 CB THR A 32 -17.872 19.654 5.432 1.00 15.58 C ATOM 244 OG1 THR A 32 -18.576 20.348 6.465 1.00 17.78 O ATOM 245 CG2 THR A 32 -18.835 19.362 4.280 1.00 19.87 C ATOM 0 H THR A 32 -16.116 19.500 7.125 1.00 9.20 H new ATOM 0 HA THR A 32 -18.015 17.836 6.381 1.00 12.50 H new ATOM 0 HB THR A 32 -17.142 20.197 5.095 1.00 15.58 H new ATOM 0 HG1 THR A 32 -18.896 21.061 6.156 1.00 17.78 H new ATOM 0 HG21 THR A 32 -19.189 20.196 3.935 1.00 19.87 H new ATOM 0 HG22 THR A 32 -18.362 18.895 3.573 1.00 19.87 H new ATOM 0 HG23 THR A 32 -19.565 18.809 4.600 1.00 19.87 H new ATOM 246 N ALA A 33 -15.405 17.872 4.539 1.00 7.84 N ATOM 247 CA ALA A 33 -14.726 17.117 3.494 1.00 6.70 C ATOM 248 C ALA A 33 -14.503 15.663 3.875 1.00 10.29 C ATOM 249 O ALA A 33 -14.503 14.789 3.003 1.00 9.75 O ATOM 250 CB ALA A 33 -13.389 17.767 3.166 1.00 10.59 C ATOM 0 H ALA A 33 -14.954 18.523 4.873 1.00 7.84 H new ATOM 0 HA ALA A 33 -15.304 17.129 2.715 1.00 6.70 H new ATOM 0 HB1 ALA A 33 -12.944 17.259 2.470 1.00 10.59 H new ATOM 0 HB2 ALA A 33 -13.537 18.675 2.858 1.00 10.59 H new ATOM 0 HB3 ALA A 33 -12.833 17.782 3.961 1.00 10.59 H new ATOM 251 N LEU A 34 -14.276 15.371 5.160 1.00 6.27 N ATOM 252 CA LEU A 34 -14.024 13.981 5.509 1.00 6.98 C ATOM 253 C LEU A 34 -15.251 13.104 5.284 1.00 7.22 C ATOM 254 O LEU A 34 -15.100 11.890 5.113 1.00 9.43 O ATOM 255 CB LEU A 34 -13.556 13.871 6.967 1.00 6.10 C ATOM 256 CG LEU A 34 -12.137 14.423 7.171 1.00 8.30 C ATOM 257 CD1 LEU A 34 -11.788 14.456 8.676 1.00 11.35 C ATOM 258 CD2 LEU A 34 -11.105 13.619 6.370 1.00 10.86 C ATOM 0 H LEU A 34 -14.264 15.934 5.810 1.00 6.27 H new ATOM 0 HA LEU A 34 -13.322 13.659 4.922 1.00 6.98 H new ATOM 0 HB2 LEU A 34 -14.173 14.353 7.539 1.00 6.10 H new ATOM 0 HB3 LEU A 34 -13.581 12.941 7.243 1.00 6.10 H new ATOM 0 HG LEU A 34 -12.111 15.332 6.835 1.00 8.30 H new ATOM 0 HD11 LEU A 34 -10.891 14.806 8.793 1.00 11.35 H new ATOM 0 HD12 LEU A 34 -12.420 15.025 9.142 1.00 11.35 H new ATOM 0 HD13 LEU A 34 -11.834 13.558 9.039 1.00 11.35 H new ATOM 0 HD21 LEU A 34 -10.221 13.989 6.518 1.00 10.86 H new ATOM 0 HD22 LEU A 34 -11.120 12.693 6.660 1.00 10.86 H new ATOM 0 HD23 LEU A 34 -11.321 13.665 5.425 1.00 10.86 H new ATOM 259 N ARG A 35 -16.455 13.688 5.272 1.00 10.15 N ATOM 260 CA ARG A 35 -17.647 12.916 4.913 1.00 12.03 C ATOM 261 C ARG A 35 -17.457 12.202 3.584 1.00 17.55 C ATOM 262 O ARG A 35 -17.929 11.076 3.396 1.00 21.56 O ATOM 263 CB ARG A 35 -18.870 13.830 4.828 1.00 18.31 C ATOM 264 CG ARG A 35 -19.479 14.224 6.153 1.00 21.29 C ATOM 265 CD ARG A 35 -20.606 15.231 5.939 1.00 29.24 C ATOM 266 NE ARG A 35 -20.517 16.362 6.860 1.00 39.10 N ATOM 267 CZ ARG A 35 -21.294 17.440 6.801 1.00 44.37 C ATOM 268 NH1 ARG A 35 -21.142 18.422 7.684 1.00 44.19 N ATOM 269 NH2 ARG A 35 -22.229 17.536 5.866 1.00 32.89 N ATOM 0 H ARG A 35 -16.600 14.513 5.465 1.00 10.15 H new ATOM 0 HA ARG A 35 -17.788 12.252 5.606 1.00 12.03 H new ATOM 0 HB2 ARG A 35 -18.619 14.637 4.352 1.00 18.31 H new ATOM 0 HB3 ARG A 35 -19.549 13.387 4.296 1.00 18.31 H new ATOM 0 HG2 ARG A 35 -19.821 13.437 6.605 1.00 21.29 H new ATOM 0 HG3 ARG A 35 -18.798 14.608 6.728 1.00 21.29 H new ATOM 0 HD2 ARG A 35 -20.578 15.557 5.026 1.00 29.24 H new ATOM 0 HD3 ARG A 35 -21.461 14.787 6.056 1.00 29.24 H new ATOM 0 HE ARG A 35 -19.923 16.328 7.481 1.00 39.10 H new ATOM 0 HH11 ARG A 35 -20.540 18.361 8.295 1.00 44.19 H new ATOM 0 HH12 ARG A 35 -21.645 19.118 7.644 1.00 44.19 H new ATOM 0 HH21 ARG A 35 -22.334 16.901 5.296 1.00 32.89 H new ATOM 0 HH22 ARG A 35 -22.730 18.234 5.829 1.00 32.89 H new ATOM 270 N SER A 36 -16.754 12.841 2.651 1.00 12.73 N ATOM 271 CA SER A 36 -16.513 12.258 1.336 1.00 14.57 C ATOM 272 C SER A 36 -15.469 11.156 1.357 1.00 16.90 C ATOM 273 O SER A 36 -15.260 10.503 0.328 1.00 17.09 O ATOM 274 CB SER A 36 -16.089 13.349 0.359 1.00 14.08 C ATOM 275 OG SER A 36 -17.150 14.275 0.207 1.00 19.64 O ATOM 0 H SER A 36 -16.406 13.619 2.763 1.00 12.73 H new ATOM 0 HA SER A 36 -17.347 11.853 1.050 1.00 14.57 H new ATOM 0 HB2 SER A 36 -15.295 13.801 0.686 1.00 14.08 H new ATOM 0 HB3 SER A 36 -15.860 12.959 -0.499 1.00 14.08 H new ATOM 0 HG SER A 36 -16.920 14.879 -0.330 1.00 19.64 H new ATOM 276 N HIS A 37 -14.794 10.951 2.482 1.00 10.38 N ATOM 277 CA HIS A 37 -13.937 9.794 2.686 1.00 10.99 C ATOM 278 C HIS A 37 -14.615 8.726 3.536 1.00 14.07 C ATOM 279 O HIS A 37 -13.945 7.804 4.017 1.00 14.72 O ATOM 280 CB HIS A 37 -12.612 10.226 3.326 1.00 14.01 C ATOM 281 CG HIS A 37 -11.848 11.240 2.524 1.00 12.68 C ATOM 282 ND1 HIS A 37 -10.705 10.926 1.818 1.00 17.19 N ATOM 283 CD2 HIS A 37 -12.057 12.563 2.325 1.00 13.89 C ATOM 284 CE1 HIS A 37 -10.250 12.008 1.212 1.00 11.10 C ATOM 285 NE2 HIS A 37 -11.051 13.015 1.503 1.00 17.90 N ATOM 0 H HIS A 37 -14.822 11.486 3.155 1.00 10.38 H new ATOM 0 HA HIS A 37 -13.760 9.402 1.817 1.00 10.99 H new ATOM 0 HB2 HIS A 37 -12.793 10.593 4.206 1.00 14.01 H new ATOM 0 HB3 HIS A 37 -12.055 9.442 3.454 1.00 14.01 H new ATOM 0 HD2 HIS A 37 -12.751 13.071 2.678 1.00 13.89 H new ATOM 0 HE1 HIS A 37 -9.494 12.052 0.672 1.00 11.10 H new ATOM 0 HE2 HIS A 37 -10.959 13.823 1.224 1.00 17.90 H new ATOM 286 N GLY A 38 -15.930 8.827 3.721 1.00 12.13 N ATOM 287 CA GLY A 38 -16.655 7.873 4.537 1.00 13.52 C ATOM 288 C GLY A 38 -16.494 8.066 6.026 1.00 14.48 C ATOM 289 O GLY A 38 -16.819 7.158 6.793 1.00 13.05 O ATOM 0 H GLY A 38 -16.418 9.446 3.378 1.00 12.13 H new ATOM 0 HA2 GLY A 38 -17.598 7.928 4.316 1.00 13.52 H new ATOM 0 HA3 GLY A 38 -16.361 6.978 4.305 1.00 13.52 H new ATOM 290 N ILE A 39 -16.020 9.231 6.462 1.00 9.14 N ATOM 291 CA ILE A 39 -15.683 9.492 7.861 1.00 6.02 C ATOM 292 C ILE A 39 -16.632 10.551 8.406 1.00 9.22 C ATOM 293 O ILE A 39 -16.776 11.625 7.814 1.00 10.69 O ATOM 294 CB ILE A 39 -14.221 9.964 7.993 1.00 6.01 C ATOM 295 CG1 ILE A 39 -13.258 8.846 7.594 1.00 9.41 C ATOM 296 CG2 ILE A 39 -13.959 10.498 9.412 1.00 9.93 C ATOM 297 CD1 ILE A 39 -11.899 9.341 7.097 1.00 11.02 C ATOM 0 H ILE A 39 -15.883 9.904 5.944 1.00 9.14 H new ATOM 0 HA ILE A 39 -15.777 8.673 8.372 1.00 6.02 H new ATOM 0 HB ILE A 39 -14.064 10.699 7.380 1.00 6.01 H new ATOM 0 HG12 ILE A 39 -13.120 8.263 8.357 1.00 9.41 H new ATOM 0 HG13 ILE A 39 -13.670 8.310 6.899 1.00 9.41 H new ATOM 0 HG21 ILE A 39 -13.037 10.791 9.482 1.00 9.93 H new ATOM 0 HG22 ILE A 39 -14.550 11.246 9.591 1.00 9.93 H new ATOM 0 HG23 ILE A 39 -14.124 9.794 10.059 1.00 9.93 H new ATOM 0 HD11 ILE A 39 -11.343 8.581 6.863 1.00 11.02 H new ATOM 0 HD12 ILE A 39 -12.025 9.902 6.316 1.00 11.02 H new ATOM 0 HD13 ILE A 39 -11.466 9.855 7.797 1.00 11.02 H new ATOM 298 N ASN A 40 -17.281 10.255 9.534 1.00 11.19 N ATOM 299 CA ASN A 40 -18.031 11.254 10.288 1.00 9.61 C ATOM 300 C ASN A 40 -17.141 11.684 11.446 1.00 8.16 C ATOM 301 O ASN A 40 -16.980 10.938 12.417 1.00 11.53 O ATOM 302 CB ASN A 40 -19.358 10.702 10.813 1.00 16.14 C ATOM 303 CG ASN A 40 -20.445 10.707 9.768 1.00 20.02 C ATOM 304 OD1 ASN A 40 -20.593 11.667 9.005 1.00 22.77 O ATOM 305 ND2 ASN A 40 -21.218 9.630 9.725 1.00 14.41 N ATOM 0 H ASN A 40 -17.297 9.468 9.881 1.00 11.19 H new ATOM 0 HA ASN A 40 -18.258 12.002 9.713 1.00 9.61 H new ATOM 0 HB2 ASN A 40 -19.224 9.795 11.130 1.00 16.14 H new ATOM 0 HB3 ASN A 40 -19.645 11.230 11.575 1.00 16.14 H new ATOM 0 HD21 ASN A 40 -21.854 9.580 9.148 1.00 14.41 H new ATOM 0 HD22 ASN A 40 -21.083 8.982 10.274 1.00 14.41 H new ATOM 306 N ALA A 41 -16.571 12.878 11.345 1.00 12.65 N ATOM 307 CA ALA A 41 -15.628 13.353 12.343 1.00 13.94 C ATOM 308 C ALA A 41 -16.200 14.533 13.112 1.00 20.10 C ATOM 309 O ALA A 41 -17.005 15.313 12.595 1.00 15.94 O ATOM 310 CB ALA A 41 -14.298 13.752 11.689 1.00 17.26 C ATOM 0 H ALA A 41 -16.719 13.430 10.702 1.00 12.65 H new ATOM 0 HA ALA A 41 -15.465 12.627 12.965 1.00 13.94 H new ATOM 0 HB1 ALA A 41 -13.683 14.066 12.371 1.00 17.26 H new ATOM 0 HB2 ALA A 41 -13.915 12.983 11.238 1.00 17.26 H new ATOM 0 HB3 ALA A 41 -14.454 14.460 11.044 1.00 17.26 H new ATOM 311 N ARG A 42 -15.788 14.641 14.367 1.00 9.97 N ATOM 312 CA ARG A 42 -15.958 15.857 15.140 1.00 10.21 C ATOM 313 C ARG A 42 -14.554 16.404 15.333 1.00 9.94 C ATOM 314 O ARG A 42 -13.718 15.748 15.959 1.00 11.36 O ATOM 315 CB ARG A 42 -16.634 15.590 16.482 1.00 10.99 C ATOM 316 CG ARG A 42 -16.749 16.820 17.340 1.00 15.17 C ATOM 317 CD ARG A 42 -17.628 16.586 18.572 1.00 22.74 C ATOM 318 NE ARG A 42 -17.014 15.712 19.572 1.00 22.70 N ATOM 319 CZ ARG A 42 -16.103 16.112 20.458 1.00 27.84 C ATOM 320 NH1 ARG A 42 -15.679 17.368 20.452 1.00 20.85 N ATOM 321 NH2 ARG A 42 -15.608 15.254 21.346 1.00 18.25 N ATOM 0 H ARG A 42 -15.399 14.005 14.796 1.00 9.97 H new ATOM 0 HA ARG A 42 -16.536 16.488 14.683 1.00 10.21 H new ATOM 0 HB2 ARG A 42 -17.520 15.228 16.325 1.00 10.99 H new ATOM 0 HB3 ARG A 42 -16.132 14.913 16.962 1.00 10.99 H new ATOM 0 HG2 ARG A 42 -15.864 17.098 17.624 1.00 15.17 H new ATOM 0 HG3 ARG A 42 -17.119 17.546 16.814 1.00 15.17 H new ATOM 0 HD2 ARG A 42 -17.831 17.441 18.982 1.00 22.74 H new ATOM 0 HD3 ARG A 42 -18.471 16.199 18.289 1.00 22.74 H new ATOM 0 HE ARG A 42 -17.257 14.887 19.589 1.00 22.70 H new ATOM 0 HH11 ARG A 42 -15.992 17.925 19.876 1.00 20.85 H new ATOM 0 HH12 ARG A 42 -15.091 17.626 21.024 1.00 20.85 H new ATOM 0 HH21 ARG A 42 -15.876 14.437 21.350 1.00 18.25 H new ATOM 0 HH22 ARG A 42 -15.020 15.517 21.916 1.00 18.25 H new ATOM 322 N ILE A 43 -14.274 17.555 14.740 1.00 10.45 N ATOM 323 CA ILE A 43 -12.948 18.156 14.817 1.00 9.43 C ATOM 324 C ILE A 43 -12.986 19.250 15.871 1.00 10.61 C ATOM 325 O ILE A 43 -13.727 20.233 15.736 1.00 12.54 O ATOM 326 CB ILE A 43 -12.493 18.696 13.455 1.00 8.26 C ATOM 327 CG1 ILE A 43 -12.502 17.551 12.437 1.00 7.33 C ATOM 328 CG2 ILE A 43 -11.100 19.324 13.586 1.00 10.87 C ATOM 329 CD1 ILE A 43 -11.809 17.851 11.107 1.00 9.80 C ATOM 0 H ILE A 43 -14.843 18.010 14.283 1.00 10.45 H new ATOM 0 HA ILE A 43 -12.297 17.483 15.069 1.00 9.43 H new ATOM 0 HB ILE A 43 -13.100 19.387 13.146 1.00 8.26 H new ATOM 0 HG12 ILE A 43 -12.076 16.778 12.839 1.00 7.33 H new ATOM 0 HG13 ILE A 43 -13.423 17.306 12.256 1.00 7.33 H new ATOM 0 HG21 ILE A 43 -10.816 19.664 12.723 1.00 10.87 H new ATOM 0 HG22 ILE A 43 -11.132 20.052 14.226 1.00 10.87 H new ATOM 0 HG23 ILE A 43 -10.470 18.653 13.892 1.00 10.87 H new ATOM 0 HD11 ILE A 43 -11.865 17.073 10.530 1.00 9.80 H new ATOM 0 HD12 ILE A 43 -12.245 18.604 10.677 1.00 9.80 H new ATOM 0 HD13 ILE A 43 -10.877 18.067 11.269 1.00 9.80 H new ATOM 330 N ILE A 44 -12.215 19.045 16.941 1.00 6.39 N ATOM 331 CA ILE A 44 -12.039 20.036 17.993 1.00 6.63 C ATOM 332 C ILE A 44 -11.179 21.159 17.446 1.00 8.84 C ATOM 333 O ILE A 44 -10.015 20.936 17.100 1.00 7.41 O ATOM 334 CB ILE A 44 -11.355 19.417 19.216 1.00 7.07 C ATOM 335 CG1 ILE A 44 -12.092 18.169 19.698 1.00 8.30 C ATOM 336 CG2 ILE A 44 -11.175 20.466 20.312 1.00 9.35 C ATOM 337 CD1 ILE A 44 -11.134 17.193 20.375 1.00 13.93 C ATOM 0 H ILE A 44 -11.777 18.317 17.074 1.00 6.39 H new ATOM 0 HA ILE A 44 -12.906 20.370 18.270 1.00 6.63 H new ATOM 0 HB ILE A 44 -10.469 19.118 18.960 1.00 7.07 H new ATOM 0 HG12 ILE A 44 -12.792 18.423 20.319 1.00 8.30 H new ATOM 0 HG13 ILE A 44 -12.524 17.734 18.946 1.00 8.30 H new ATOM 0 HG21 ILE A 44 -10.741 20.061 21.080 1.00 9.35 H new ATOM 0 HG22 ILE A 44 -10.627 21.193 19.978 1.00 9.35 H new ATOM 0 HG23 ILE A 44 -12.042 20.811 20.576 1.00 9.35 H new ATOM 0 HD11 ILE A 44 -11.625 16.411 20.672 1.00 13.93 H new ATOM 0 HD12 ILE A 44 -10.447 16.924 19.745 1.00 13.93 H new ATOM 0 HD13 ILE A 44 -10.720 17.623 21.139 1.00 13.93 H new ATOM 338 N ASN A 45 -11.733 22.364 17.372 1.00 10.16 N ATOM 339 CA ASN A 45 -10.947 23.495 16.891 1.00 7.32 C ATOM 340 C ASN A 45 -10.186 24.066 18.077 1.00 8.49 C ATOM 341 O ASN A 45 -10.726 24.853 18.859 1.00 10.63 O ATOM 342 CB ASN A 45 -11.818 24.551 16.217 1.00 10.91 C ATOM 343 CG ASN A 45 -10.988 25.594 15.473 1.00 12.77 C ATOM 344 OD1 ASN A 45 -9.830 25.838 15.817 1.00 11.68 O ATOM 345 ND2 ASN A 45 -11.565 26.195 14.438 1.00 10.29 N ATOM 0 H ASN A 45 -12.545 22.547 17.590 1.00 10.16 H new ATOM 0 HA ASN A 45 -10.325 23.196 16.209 1.00 7.32 H new ATOM 0 HB2 ASN A 45 -12.424 24.119 15.595 1.00 10.91 H new ATOM 0 HB3 ASN A 45 -12.365 24.992 16.886 1.00 10.91 H new ATOM 0 HD21 ASN A 45 -11.128 26.778 13.981 1.00 10.29 H new ATOM 0 HD22 ASN A 45 -12.375 26.001 14.225 1.00 10.29 H new ATOM 346 N ALA A 46 -8.920 23.666 18.211 1.00 6.37 N ATOM 347 CA ALA A 46 -8.016 24.241 19.200 1.00 6.32 C ATOM 348 C ALA A 46 -7.008 25.182 18.554 1.00 7.50 C ATOM 349 O ALA A 46 -5.853 25.255 18.989 1.00 7.78 O ATOM 350 CB ALA A 46 -7.296 23.138 19.986 1.00 6.86 C ATOM 0 H ALA A 46 -8.563 23.051 17.727 1.00 6.37 H new ATOM 0 HA ALA A 46 -8.552 24.761 19.819 1.00 6.32 H new ATOM 0 HB1 ALA A 46 -6.701 23.541 20.637 1.00 6.86 H new ATOM 0 HB2 ALA A 46 -7.950 22.587 20.444 1.00 6.86 H new ATOM 0 HB3 ALA A 46 -6.781 22.588 19.375 1.00 6.86 H new ATOM 351 N GLY A 47 -7.422 25.884 17.500 1.00 6.37 N ATOM 352 CA GLY A 47 -6.610 26.960 16.958 1.00 4.80 C ATOM 353 C GLY A 47 -6.716 28.200 17.829 1.00 8.44 C ATOM 354 O GLY A 47 -7.795 28.571 18.294 1.00 8.03 O ATOM 0 H GLY A 47 -8.166 25.751 17.089 1.00 6.37 H new ATOM 0 HA2 GLY A 47 -5.684 26.676 16.902 1.00 4.80 H new ATOM 0 HA3 GLY A 47 -6.899 27.167 16.055 1.00 4.80 H new ATOM 355 N VAL A 48 -5.567 28.831 18.074 1.00 6.92 N ATOM 356 CA VAL A 48 -5.502 30.078 18.828 1.00 9.52 C ATOM 357 C VAL A 48 -4.682 31.063 18.014 1.00 8.77 C ATOM 358 O VAL A 48 -3.491 30.837 17.773 1.00 7.55 O ATOM 359 CB VAL A 48 -4.891 29.896 20.229 1.00 6.85 C ATOM 360 CG1 VAL A 48 -4.698 31.254 20.884 1.00 9.53 C ATOM 361 CG2 VAL A 48 -5.780 29.021 21.095 1.00 12.41 C ATOM 0 H VAL A 48 -4.802 28.545 17.805 1.00 6.92 H new ATOM 0 HA VAL A 48 -6.404 30.406 18.972 1.00 9.52 H new ATOM 0 HB VAL A 48 -4.030 29.458 20.137 1.00 6.85 H new ATOM 0 HG11 VAL A 48 -4.313 31.136 21.766 1.00 9.53 H new ATOM 0 HG12 VAL A 48 -4.102 31.794 20.341 1.00 9.53 H new ATOM 0 HG13 VAL A 48 -5.556 31.700 20.963 1.00 9.53 H new ATOM 0 HG21 VAL A 48 -5.378 28.919 21.972 1.00 12.41 H new ATOM 0 HG22 VAL A 48 -6.652 29.435 21.186 1.00 12.41 H new ATOM 0 HG23 VAL A 48 -5.878 28.149 20.681 1.00 12.41 H new ATOM 362 N SER A 49 -5.311 32.151 17.585 1.00 9.09 N ATOM 363 CA SER A 49 -4.605 33.105 16.744 1.00 8.76 C ATOM 364 C SER A 49 -3.435 33.703 17.513 1.00 11.47 C ATOM 365 O SER A 49 -3.550 34.008 18.703 1.00 11.76 O ATOM 366 CB SER A 49 -5.565 34.197 16.269 1.00 14.40 C ATOM 367 OG SER A 49 -6.504 33.642 15.357 1.00 18.24 O ATOM 0 H SER A 49 -6.128 32.352 17.765 1.00 9.09 H new ATOM 0 HA SER A 49 -4.256 32.649 15.962 1.00 8.76 H new ATOM 0 HB2 SER A 49 -6.028 34.586 17.028 1.00 14.40 H new ATOM 0 HB3 SER A 49 -5.069 34.913 15.842 1.00 14.40 H new ATOM 0 HG SER A 49 -7.111 34.202 15.204 1.00 18.24 H new ATOM 368 N GLY A 50 -2.288 33.799 16.848 1.00 13.34 N ATOM 369 CA GLY A 50 -1.083 34.343 17.447 1.00 11.13 C ATOM 370 C GLY A 50 -0.240 33.366 18.246 1.00 10.45 C ATOM 371 O GLY A 50 0.853 33.745 18.687 1.00 11.10 O ATOM 0 H GLY A 50 -2.190 33.548 16.031 1.00 13.34 H new ATOM 0 HA2 GLY A 50 -0.532 34.717 16.741 1.00 11.13 H new ATOM 0 HA3 GLY A 50 -1.335 35.077 18.029 1.00 11.13 H new ATOM 372 N ASP A 51 -0.693 32.122 18.437 1.00 5.33 N ATOM 373 CA ASP A 51 0.067 31.147 19.221 1.00 7.57 C ATOM 374 C ASP A 51 1.421 30.837 18.587 1.00 5.51 C ATOM 375 O ASP A 51 1.481 30.343 17.459 1.00 6.24 O ATOM 376 CB ASP A 51 -0.724 29.845 19.350 1.00 10.08 C ATOM 377 CG ASP A 51 -1.340 29.654 20.722 1.00 12.49 C ATOM 378 OD1 ASP A 51 -1.508 30.649 21.474 1.00 10.54 O ATOM 379 OD2 ASP A 51 -1.638 28.487 21.044 1.00 16.14 O ATOM 0 H ASP A 51 -1.436 31.826 18.121 1.00 5.33 H new ATOM 0 HA ASP A 51 0.218 31.539 20.095 1.00 7.57 H new ATOM 0 HB2 ASP A 51 -1.427 29.833 18.682 1.00 10.08 H new ATOM 0 HB3 ASP A 51 -0.137 29.097 19.158 1.00 10.08 H new ATOM 380 N THR A 52 2.493 31.047 19.351 1.00 7.14 N ATOM 381 CA THR A 52 3.818 30.519 19.042 1.00 5.77 C ATOM 382 C THR A 52 3.915 29.040 19.409 1.00 5.34 C ATOM 383 O THR A 52 3.033 28.478 20.051 1.00 3.46 O ATOM 384 CB THR A 52 4.889 31.256 19.832 1.00 5.70 C ATOM 385 OG1 THR A 52 4.627 31.071 21.229 1.00 6.93 O ATOM 386 CG2 THR A 52 4.902 32.748 19.482 1.00 11.04 C ATOM 0 H THR A 52 2.468 31.509 20.076 1.00 7.14 H new ATOM 0 HA THR A 52 3.956 30.639 18.089 1.00 5.77 H new ATOM 0 HB THR A 52 5.762 30.898 19.606 1.00 5.70 H new ATOM 0 HG1 THR A 52 5.258 30.640 21.578 1.00 6.93 H new ATOM 0 HG21 THR A 52 5.591 33.195 19.997 1.00 11.04 H new ATOM 0 HG22 THR A 52 5.084 32.857 18.536 1.00 11.04 H new ATOM 0 HG23 THR A 52 4.039 33.137 19.692 1.00 11.04 H new ATOM 387 N THR A 53 5.037 28.406 19.044 1.00 6.50 N ATOM 388 CA THR A 53 5.255 27.038 19.518 1.00 3.82 C ATOM 389 C THR A 53 5.343 26.987 21.040 1.00 4.09 C ATOM 390 O THR A 53 4.908 26.001 21.648 1.00 5.96 O ATOM 391 CB THR A 53 6.522 26.418 18.912 1.00 4.96 C ATOM 392 OG1 THR A 53 7.672 27.214 19.259 1.00 7.15 O ATOM 393 CG2 THR A 53 6.379 26.299 17.396 1.00 6.47 C ATOM 0 H THR A 53 5.657 28.734 18.546 1.00 6.50 H new ATOM 0 HA THR A 53 4.489 26.519 19.227 1.00 3.82 H new ATOM 0 HB THR A 53 6.645 25.527 19.274 1.00 4.96 H new ATOM 0 HG1 THR A 53 7.754 27.843 18.709 1.00 7.15 H new ATOM 0 HG21 THR A 53 7.185 25.906 17.025 1.00 6.47 H new ATOM 0 HG22 THR A 53 5.618 25.735 17.186 1.00 6.47 H new ATOM 0 HG23 THR A 53 6.243 27.180 17.013 1.00 6.47 H new ATOM 394 N ALA A 54 5.900 28.031 21.676 1.00 4.82 N ATOM 395 CA ALA A 54 5.971 28.025 23.139 1.00 4.50 C ATOM 396 C ALA A 54 4.583 28.123 23.755 1.00 7.44 C ATOM 397 O ALA A 54 4.287 27.455 24.758 1.00 6.64 O ATOM 398 CB ALA A 54 6.848 29.171 23.650 1.00 7.24 C ATOM 0 H ALA A 54 6.230 28.726 21.292 1.00 4.82 H new ATOM 0 HA ALA A 54 6.371 27.183 23.407 1.00 4.50 H new ATOM 0 HB1 ALA A 54 6.880 29.147 24.619 1.00 7.24 H new ATOM 0 HB2 ALA A 54 7.745 29.075 23.295 1.00 7.24 H new ATOM 0 HB3 ALA A 54 6.475 30.018 23.360 1.00 7.24 H new ATOM 399 N ALA A 55 3.725 28.967 23.177 1.00 4.18 N ATOM 400 CA ALA A 55 2.350 29.067 23.654 1.00 7.53 C ATOM 401 C ALA A 55 1.617 27.741 23.488 1.00 5.52 C ATOM 402 O ALA A 55 0.843 27.337 24.368 1.00 5.63 O ATOM 403 CB ALA A 55 1.616 30.181 22.906 1.00 7.82 C ATOM 0 H ALA A 55 3.918 29.483 22.516 1.00 4.18 H new ATOM 0 HA ALA A 55 2.369 29.282 24.600 1.00 7.53 H new ATOM 0 HB1 ALA A 55 0.703 30.241 23.229 1.00 7.82 H new ATOM 0 HB2 ALA A 55 2.068 31.026 23.058 1.00 7.82 H new ATOM 0 HB3 ALA A 55 1.610 29.984 21.956 1.00 7.82 H new ATOM 404 N GLY A 56 1.849 27.045 22.369 1.00 6.22 N ATOM 405 CA GLY A 56 1.219 25.743 22.182 1.00 7.00 C ATOM 406 C GLY A 56 1.693 24.743 23.216 1.00 5.85 C ATOM 407 O GLY A 56 0.893 24.007 23.800 1.00 8.80 O ATOM 0 H GLY A 56 2.355 27.304 21.724 1.00 6.22 H new ATOM 0 HA2 GLY A 56 0.255 25.837 22.240 1.00 7.00 H new ATOM 0 HA3 GLY A 56 1.419 25.410 21.293 1.00 7.00 H new ATOM 408 N LEU A 57 3.005 24.733 23.484 1.00 5.30 N ATOM 409 CA LEU A 57 3.551 23.854 24.511 1.00 3.70 C ATOM 410 C LEU A 57 2.942 24.166 25.872 1.00 5.57 C ATOM 411 O LEU A 57 2.667 23.257 26.664 1.00 6.92 O ATOM 412 CB LEU A 57 5.070 23.999 24.555 1.00 5.19 C ATOM 413 CG LEU A 57 5.777 23.147 25.611 1.00 7.21 C ATOM 414 CD1 LEU A 57 5.552 21.662 25.364 1.00 9.45 C ATOM 415 CD2 LEU A 57 7.277 23.480 25.630 1.00 11.94 C ATOM 0 H LEU A 57 3.586 25.225 23.084 1.00 5.30 H new ATOM 0 HA LEU A 57 3.327 22.937 24.290 1.00 3.70 H new ATOM 0 HB2 LEU A 57 5.428 23.770 23.683 1.00 5.19 H new ATOM 0 HB3 LEU A 57 5.287 24.931 24.714 1.00 5.19 H new ATOM 0 HG LEU A 57 5.398 23.356 26.479 1.00 7.21 H new ATOM 0 HD11 LEU A 57 6.010 21.147 26.047 1.00 9.45 H new ATOM 0 HD12 LEU A 57 4.602 21.469 25.397 1.00 9.45 H new ATOM 0 HD13 LEU A 57 5.900 21.423 24.491 1.00 9.45 H new ATOM 0 HD21 LEU A 57 7.721 22.938 26.301 1.00 11.94 H new ATOM 0 HD22 LEU A 57 7.661 23.294 24.759 1.00 11.94 H new ATOM 0 HD23 LEU A 57 7.398 24.419 25.842 1.00 11.94 H new ATOM 416 N GLN A 58 2.705 25.448 26.146 1.00 5.66 N ATOM 417 CA GLN A 58 2.158 25.844 27.439 1.00 4.24 C ATOM 418 C GLN A 58 0.741 25.333 27.653 1.00 9.15 C ATOM 419 O GLN A 58 0.318 25.174 28.805 1.00 9.05 O ATOM 420 CB GLN A 58 2.187 27.365 27.573 1.00 6.73 C ATOM 421 CG GLN A 58 2.023 27.861 29.002 1.00 11.28 C ATOM 422 CD GLN A 58 3.168 27.421 29.901 1.00 17.57 C ATOM 423 OE1 GLN A 58 4.316 27.346 29.467 1.00 17.67 O ATOM 424 NE2 GLN A 58 2.860 27.141 31.156 1.00 17.22 N ATOM 0 H GLN A 58 2.853 26.097 25.602 1.00 5.66 H new ATOM 0 HA GLN A 58 2.716 25.440 28.122 1.00 4.24 H new ATOM 0 HB2 GLN A 58 3.027 27.696 27.220 1.00 6.73 H new ATOM 0 HB3 GLN A 58 1.481 27.743 27.026 1.00 6.73 H new ATOM 0 HG2 GLN A 58 1.969 28.829 29.002 1.00 11.28 H new ATOM 0 HG3 GLN A 58 1.186 27.530 29.363 1.00 11.28 H new ATOM 0 HE21 GLN A 58 2.045 27.205 31.423 1.00 17.22 H new ATOM 0 HE22 GLN A 58 3.475 26.895 31.705 1.00 17.22 H new ATOM 425 N ARG A 59 -0.011 25.059 26.583 1.00 7.15 N ATOM 426 CA ARG A 59 -1.406 24.685 26.769 1.00 8.80 C ATOM 427 C ARG A 59 -1.769 23.282 26.297 1.00 9.53 C ATOM 428 O ARG A 59 -2.924 22.886 26.471 1.00 5.47 O ATOM 429 CB ARG A 59 -2.330 25.708 26.084 1.00 6.89 C ATOM 430 CG ARG A 59 -2.225 25.749 24.560 1.00 6.58 C ATOM 431 CD ARG A 59 -3.324 26.639 23.944 1.00 6.83 C ATOM 432 NE ARG A 59 -3.030 26.835 22.532 1.00 7.46 N ATOM 433 CZ ARG A 59 -3.721 26.304 21.532 1.00 10.76 C ATOM 434 NH1 ARG A 59 -4.805 25.576 21.776 1.00 10.37 N ATOM 435 NH2 ARG A 59 -3.337 26.527 20.282 1.00 8.41 N ATOM 0 H ARG A 59 0.261 25.084 25.767 1.00 7.15 H new ATOM 0 HA ARG A 59 -1.536 24.684 27.730 1.00 8.80 H new ATOM 0 HB2 ARG A 59 -3.248 25.509 26.327 1.00 6.89 H new ATOM 0 HB3 ARG A 59 -2.129 26.590 26.433 1.00 6.89 H new ATOM 0 HG2 ARG A 59 -1.352 26.085 24.303 1.00 6.58 H new ATOM 0 HG3 ARG A 59 -2.298 24.849 24.205 1.00 6.58 H new ATOM 0 HD2 ARG A 59 -4.193 26.222 24.052 1.00 6.83 H new ATOM 0 HD3 ARG A 59 -3.360 27.494 24.402 1.00 6.83 H new ATOM 0 HE ARG A 59 -2.358 27.332 22.331 1.00 7.46 H new ATOM 0 HH11 ARG A 59 -5.063 25.447 22.586 1.00 10.37 H new ATOM 0 HH12 ARG A 59 -5.249 25.234 21.124 1.00 10.37 H new ATOM 0 HH21 ARG A 59 -2.645 27.013 20.125 1.00 8.41 H new ATOM 0 HH22 ARG A 59 -3.780 26.186 19.629 1.00 8.41 H new ATOM 436 N ILE A 60 -0.836 22.507 25.731 1.00 5.42 N ATOM 437 CA ILE A 60 -1.231 21.225 25.135 1.00 5.80 C ATOM 438 C ILE A 60 -1.819 20.277 26.189 1.00 6.62 C ATOM 439 O ILE A 60 -2.817 19.599 25.934 1.00 6.06 O ATOM 440 CB ILE A 60 -0.050 20.593 24.360 1.00 8.11 C ATOM 441 CG1 ILE A 60 -0.444 19.263 23.690 1.00 5.73 C ATOM 442 CG2 ILE A 60 1.168 20.372 25.269 1.00 7.67 C ATOM 443 CD1 ILE A 60 -1.596 19.350 22.675 1.00 5.65 C ATOM 0 H ILE A 60 0.002 22.696 25.682 1.00 5.42 H new ATOM 0 HA ILE A 60 -1.937 21.391 24.491 1.00 5.80 H new ATOM 0 HB ILE A 60 0.189 21.226 23.665 1.00 8.11 H new ATOM 0 HG12 ILE A 60 0.336 18.902 23.241 1.00 5.73 H new ATOM 0 HG13 ILE A 60 -0.691 18.630 24.383 1.00 5.73 H new ATOM 0 HG21 ILE A 60 1.888 19.976 24.754 1.00 7.67 H new ATOM 0 HG22 ILE A 60 1.460 21.223 25.632 1.00 7.67 H new ATOM 0 HG23 ILE A 60 0.926 19.777 25.996 1.00 7.67 H new ATOM 0 HD11 ILE A 60 -1.771 18.469 22.308 1.00 5.65 H new ATOM 0 HD12 ILE A 60 -2.393 19.680 23.118 1.00 5.65 H new ATOM 0 HD13 ILE A 60 -1.351 19.955 21.958 1.00 5.65 H new ATOM 444 N ALYS A 61 -1.222 20.215 27.384 0.57 6.45 N ATOM 445 N BLYS A 61 -1.218 20.222 27.383 0.43 6.47 N ATOM 446 CA ALYS A 61 -1.776 19.335 28.412 0.57 9.09 C ATOM 447 CA BLYS A 61 -1.750 19.358 28.436 0.43 9.11 C ATOM 448 C ALYS A 61 -3.174 19.779 28.831 0.57 8.79 C ATOM 449 C BLYS A 61 -3.161 19.781 28.834 0.43 8.78 C ATOM 450 O ALYS A 61 -4.086 18.950 28.962 0.57 7.96 O ATOM 451 O BLYS A 61 -4.066 18.945 28.959 0.43 7.98 O ATOM 452 CB ALYS A 61 -0.847 19.280 29.625 0.57 10.74 C ATOM 453 CB BLYS A 61 -0.821 19.381 29.652 0.43 10.72 C ATOM 454 CG ALYS A 61 -1.339 18.341 30.705 0.57 8.92 C ATOM 455 CG BLYS A 61 0.487 18.622 29.471 0.43 8.84 C ATOM 456 CD ALYS A 61 -0.331 18.179 31.835 0.57 8.42 C ATOM 457 CD BLYS A 61 1.245 18.546 30.801 0.43 12.06 C ATOM 458 CE ALYS A 61 -0.635 16.922 32.641 0.57 20.86 C ATOM 459 CE BLYS A 61 2.494 17.674 30.702 0.43 17.10 C ATOM 460 NZ ALYS A 61 -2.077 16.823 33.022 0.57 16.76 N ATOM 461 NZ BLYS A 61 2.197 16.222 30.884 0.43 19.23 N ATOM 0 H ALYS A 61 -0.521 20.658 27.612 0.57 6.47 H new ATOM 0 H BLYS A 61 -0.515 20.669 27.598 0.43 6.47 H new ATOM 0 HA ALYS A 61 -1.849 18.445 28.033 0.57 9.11 H new ATOM 0 HA BLYS A 61 -1.797 18.452 28.092 0.43 9.11 H new ATOM 0 HB2ALYS A 61 0.036 19.000 29.337 0.57 10.72 H new ATOM 0 HB2BLYS A 61 -0.617 20.304 29.870 0.43 10.72 H new ATOM 0 HB3ALYS A 61 -0.755 20.171 29.996 0.57 10.72 H new ATOM 0 HB3BLYS A 61 -1.294 19.008 30.412 0.43 10.72 H new ATOM 0 HG2ALYS A 61 -2.175 18.676 31.066 0.57 8.84 H new ATOM 0 HG2BLYS A 61 0.306 17.727 29.143 0.43 8.84 H new ATOM 0 HG3ALYS A 61 -1.526 17.473 30.315 0.57 8.84 H new ATOM 0 HG3BLYS A 61 1.035 19.064 28.804 0.43 8.84 H new ATOM 0 HD2ALYS A 61 0.567 18.128 31.471 0.57 12.06 H new ATOM 0 HD2BLYS A 61 1.498 19.440 31.079 0.43 12.06 H new ATOM 0 HD3ALYS A 61 -0.358 18.956 32.414 0.57 12.06 H new ATOM 0 HD3BLYS A 61 0.658 18.191 31.487 0.43 12.06 H new ATOM 0 HE2ALYS A 61 -0.386 16.141 32.123 0.57 17.10 H new ATOM 0 HE2BLYS A 61 2.911 17.809 29.837 0.43 17.10 H new ATOM 0 HE3ALYS A 61 -0.090 16.916 33.443 0.57 17.10 H new ATOM 0 HE3BLYS A 61 3.135 17.956 31.373 0.43 17.10 H new ATOM 0 HZ1ALYS A 61 -2.243 16.011 33.347 0.57 19.23 H new ATOM 0 HZ1BLYS A 61 2.743 15.882 31.499 0.43 19.23 H new ATOM 0 HZ2ALYS A 61 -2.263 17.434 33.642 0.57 19.23 H new ATOM 0 HZ2BLYS A 61 1.353 16.122 31.150 0.43 19.23 H new ATOM 0 HZ3ALYS A 61 -2.584 16.965 32.305 0.57 19.23 H new ATOM 0 HZ3BLYS A 61 2.317 15.795 30.112 0.43 19.23 H new ATOM 462 N PHE A 62 -3.364 21.085 29.037 1.00 6.25 N ATOM 463 CA PHE A 62 -4.684 21.597 29.397 1.00 5.60 C ATOM 464 C PHE A 62 -5.719 21.268 28.329 1.00 8.92 C ATOM 465 O PHE A 62 -6.839 20.853 28.647 1.00 7.95 O ATOM 466 CB PHE A 62 -4.620 23.108 29.620 1.00 10.11 C ATOM 467 CG PHE A 62 -5.952 23.721 29.955 1.00 8.85 C ATOM 468 CD1 PHE A 62 -6.445 23.665 31.257 1.00 13.20 C ATOM 469 CD2 PHE A 62 -6.723 24.318 28.968 1.00 9.94 C ATOM 470 CE1 PHE A 62 -7.669 24.216 31.569 1.00 11.34 C ATOM 471 CE2 PHE A 62 -7.957 24.863 29.274 1.00 13.73 C ATOM 472 CZ PHE A 62 -8.435 24.806 30.571 1.00 9.86 C ATOM 0 H APHE A 62 -2.749 21.682 28.974 0.57 6.25 H new ATOM 0 H BPHE A 62 -2.752 21.686 28.971 0.43 6.25 H new ATOM 0 HA PHE A 62 -4.957 21.164 30.221 1.00 5.60 H new ATOM 0 HB2 PHE A 62 -3.996 23.296 30.338 1.00 10.11 H new ATOM 0 HB3 PHE A 62 -4.269 23.531 28.821 1.00 10.11 H new ATOM 0 HD1 PHE A 62 -5.943 23.252 31.922 1.00 13.20 H new ATOM 0 HD2 PHE A 62 -6.408 24.352 28.094 1.00 9.94 H new ATOM 0 HE1 PHE A 62 -7.981 24.193 32.445 1.00 11.34 H new ATOM 0 HE2 PHE A 62 -8.465 25.267 28.608 1.00 13.73 H new ATOM 0 HZ PHE A 62 -9.269 25.163 30.775 1.00 9.86 H new ATOM 473 N VAL A 63 -5.357 21.438 27.053 1.00 5.61 N ATOM 474 CA VAL A 63 -6.310 21.173 25.979 1.00 5.39 C ATOM 475 C VAL A 63 -6.680 19.696 25.950 1.00 6.93 C ATOM 476 O VAL A 63 -7.859 19.338 25.820 1.00 6.60 O ATOM 477 CB VAL A 63 -5.736 21.658 24.631 1.00 4.60 C ATOM 478 CG1 VAL A 63 -6.560 21.133 23.449 1.00 7.75 C ATOM 479 CG2 VAL A 63 -5.678 23.183 24.609 1.00 5.61 C ATOM 0 H VAL A 63 -4.580 21.701 26.795 1.00 5.61 H new ATOM 0 HA VAL A 63 -7.127 21.669 26.143 1.00 5.39 H new ATOM 0 HB VAL A 63 -4.837 21.305 24.540 1.00 4.60 H new ATOM 0 HG11 VAL A 63 -6.175 21.454 22.618 1.00 7.75 H new ATOM 0 HG12 VAL A 63 -6.553 20.163 23.455 1.00 7.75 H new ATOM 0 HG13 VAL A 63 -7.474 21.449 23.525 1.00 7.75 H new ATOM 0 HG21 VAL A 63 -5.317 23.481 23.760 1.00 5.61 H new ATOM 0 HG22 VAL A 63 -6.572 23.543 24.724 1.00 5.61 H new ATOM 0 HG23 VAL A 63 -5.109 23.496 25.330 1.00 5.61 H new ATOM 480 N LEU A 64 -5.694 18.817 26.127 1.00 5.59 N ATOM 481 CA LEU A 64 -5.988 17.389 26.109 1.00 6.92 C ATOM 482 C LEU A 64 -6.807 16.983 27.331 1.00 9.26 C ATOM 483 O LEU A 64 -7.757 16.208 27.212 1.00 7.09 O ATOM 484 CB LEU A 64 -4.688 16.592 26.046 1.00 5.93 C ATOM 485 CG LEU A 64 -3.931 16.679 24.715 1.00 6.37 C ATOM 486 CD1 LEU A 64 -2.567 16.021 24.846 1.00 7.76 C ATOM 487 CD2 LEU A 64 -4.737 16.012 23.603 1.00 5.93 C ATOM 0 H LEU A 64 -4.869 19.021 26.256 1.00 5.59 H new ATOM 0 HA LEU A 64 -6.517 17.194 25.320 1.00 6.92 H new ATOM 0 HB2 LEU A 64 -4.102 16.900 26.755 1.00 5.93 H new ATOM 0 HB3 LEU A 64 -4.888 15.660 26.227 1.00 5.93 H new ATOM 0 HG LEU A 64 -3.806 17.614 24.487 1.00 6.37 H new ATOM 0 HD11 LEU A 64 -2.096 16.081 24.000 1.00 7.76 H new ATOM 0 HD12 LEU A 64 -2.054 16.473 25.534 1.00 7.76 H new ATOM 0 HD13 LEU A 64 -2.679 15.088 25.088 1.00 7.76 H new ATOM 0 HD21 LEU A 64 -4.248 16.074 22.767 1.00 5.93 H new ATOM 0 HD22 LEU A 64 -4.883 15.079 23.824 1.00 5.93 H new ATOM 0 HD23 LEU A 64 -5.593 16.459 23.510 1.00 5.93 H new ATOM 488 N ASP A 65 -6.451 17.498 28.510 1.00 9.21 N ATOM 489 CA ASP A 65 -7.176 17.173 29.743 1.00 8.51 C ATOM 490 C ASP A 65 -8.592 17.736 29.754 1.00 11.77 C ATOM 491 O ASP A 65 -9.424 17.293 30.555 1.00 12.12 O ATOM 492 CB ASP A 65 -6.428 17.724 30.960 1.00 7.87 C ATOM 493 CG ASP A 65 -5.109 17.016 31.224 1.00 12.37 C ATOM 494 OD1 ASP A 65 -4.872 15.911 30.686 1.00 11.52 O ATOM 495 OD2 ASP A 65 -4.305 17.573 32.000 1.00 13.76 O ATOM 0 H ASP A 65 -5.791 18.039 28.618 1.00 9.21 H new ATOM 0 HA ASP A 65 -7.231 16.205 29.782 1.00 8.51 H new ATOM 0 HB2 ASP A 65 -6.260 18.670 30.828 1.00 7.87 H new ATOM 0 HB3 ASP A 65 -6.994 17.644 31.744 1.00 7.87 H new ATOM 496 N SER A 66 -8.875 18.730 28.913 1.00 6.43 N ATOM 497 CA SER A 66 -10.204 19.315 28.839 1.00 8.37 C ATOM 498 C SER A 66 -11.155 18.540 27.936 1.00 14.04 C ATOM 499 O SER A 66 -12.346 18.869 27.903 1.00 14.50 O ATOM 500 CB SER A 66 -10.116 20.756 28.337 1.00 11.76 C ATOM 501 OG SER A 66 -9.434 21.569 29.277 1.00 11.90 O ATOM 0 H SER A 66 -8.303 19.080 28.374 1.00 6.43 H new ATOM 0 HA SER A 66 -10.563 19.282 29.739 1.00 8.37 H new ATOM 0 HB2 SER A 66 -9.653 20.780 27.485 1.00 11.76 H new ATOM 0 HB3 SER A 66 -11.008 21.106 28.185 1.00 11.76 H new ATOM 0 HG SER A 66 -8.605 21.462 29.191 1.00 11.90 H new ATOM 502 N GLN A 67 -10.671 17.543 27.204 1.00 7.22 N ATOM 503 CA GLN A 67 -11.524 16.861 26.224 1.00 10.61 C ATOM 504 C GLN A 67 -12.403 15.808 26.891 1.00 10.21 C ATOM 505 O GLN A 67 -11.894 14.948 27.615 1.00 12.61 O ATOM 506 CB GLN A 67 -10.683 16.190 25.148 1.00 8.31 C ATOM 507 CG GLN A 67 -9.885 17.170 24.316 1.00 10.48 C ATOM 508 CD GLN A 67 -10.751 18.308 23.816 1.00 13.85 C ATOM 509 OE1 GLN A 67 -11.842 18.085 23.278 1.00 12.97 O ATOM 510 NE2 GLN A 67 -10.287 19.539 24.013 1.00 11.25 N ATOM 0 H GLN A 67 -9.865 17.246 27.254 1.00 7.22 H new ATOM 0 HA GLN A 67 -12.090 17.537 25.820 1.00 10.61 H new ATOM 0 HB2 GLN A 67 -10.075 15.561 25.567 1.00 8.31 H new ATOM 0 HB3 GLN A 67 -11.264 15.678 24.564 1.00 8.31 H new ATOM 0 HG2 GLN A 67 -9.155 17.526 24.846 1.00 10.48 H new ATOM 0 HG3 GLN A 67 -9.489 16.708 23.561 1.00 10.48 H new ATOM 0 HE21 GLN A 67 -9.523 19.655 24.391 1.00 11.25 H new ATOM 0 HE22 GLN A 67 -10.751 20.219 23.763 1.00 11.25 H new ATOM 511 N PRO A 68 -13.710 15.809 26.629 1.00 11.09 N ATOM 512 CA PRO A 68 -14.540 14.679 27.087 1.00 13.18 C ATOM 513 C PRO A 68 -14.199 13.373 26.387 1.00 12.28 C ATOM 514 O PRO A 68 -14.258 12.303 27.007 1.00 14.99 O ATOM 515 CB PRO A 68 -15.972 15.142 26.765 1.00 15.84 C ATOM 516 CG PRO A 68 -15.812 16.176 25.688 1.00 24.80 C ATOM 517 CD PRO A 68 -14.495 16.867 25.975 1.00 12.78 C ATOM 0 HA PRO A 68 -14.403 14.480 28.026 1.00 13.18 H new ATOM 0 HB2 PRO A 68 -16.521 14.402 26.463 1.00 15.84 H new ATOM 0 HB3 PRO A 68 -16.405 15.515 27.549 1.00 15.84 H new ATOM 0 HG2 PRO A 68 -15.806 15.766 24.809 1.00 24.80 H new ATOM 0 HG3 PRO A 68 -16.547 16.809 25.700 1.00 24.80 H new ATOM 0 HD2 PRO A 68 -14.069 17.182 25.163 1.00 12.78 H new ATOM 0 HD3 PRO A 68 -14.611 17.638 26.552 1.00 12.78 H new ATOM 518 N ASP A 69 -13.837 13.427 25.107 1.00 10.81 N ATOM 519 CA ASP A 69 -13.470 12.255 24.325 1.00 8.90 C ATOM 520 C ASP A 69 -12.025 12.395 23.875 1.00 12.28 C ATOM 521 O ASP A 69 -11.661 13.412 23.276 1.00 12.38 O ATOM 522 CB ASP A 69 -14.376 12.115 23.096 1.00 13.34 C ATOM 523 CG ASP A 69 -15.836 12.016 23.466 1.00 21.42 C ATOM 524 OD1 ASP A 69 -16.180 11.131 24.281 1.00 15.88 O ATOM 525 OD2 ASP A 69 -16.628 12.830 22.949 1.00 25.25 O ATOM 0 H ASP A 69 -13.798 14.162 24.662 1.00 10.81 H new ATOM 0 HA ASP A 69 -13.576 11.463 24.876 1.00 8.90 H new ATOM 0 HB2 ASP A 69 -14.244 12.878 22.511 1.00 13.34 H new ATOM 0 HB3 ASP A 69 -14.118 11.326 22.595 1.00 13.34 H new ATOM 526 N LYS A 70 -11.219 11.374 24.140 1.00 8.12 N ATOM 527 CA LYS A 70 -9.803 11.430 23.788 1.00 9.68 C ATOM 528 C LYS A 70 -9.644 11.524 22.276 1.00 10.62 C ATOM 529 O LYS A 70 -10.305 10.778 21.544 1.00 10.29 O ATOM 530 CB LYS A 70 -9.084 10.189 24.312 1.00 14.94 C ATOM 531 CG LYS A 70 -7.599 10.189 24.079 1.00 17.93 C ATOM 532 CD LYS A 70 -6.965 9.015 24.791 1.00 20.72 C ATOM 533 CE LYS A 70 -5.472 9.020 24.611 1.00 25.34 C ATOM 534 NZ LYS A 70 -4.840 7.906 25.384 1.00 22.58 N ATOM 0 H LYS A 70 -11.468 10.644 24.520 1.00 8.12 H new ATOM 0 HA LYS A 70 -9.409 12.217 24.195 1.00 9.68 H new ATOM 0 HB2 LYS A 70 -9.251 10.109 25.264 1.00 14.94 H new ATOM 0 HB3 LYS A 70 -9.467 9.404 23.890 1.00 14.94 H new ATOM 0 HG2 LYS A 70 -7.413 10.139 23.128 1.00 17.93 H new ATOM 0 HG3 LYS A 70 -7.213 11.019 24.401 1.00 17.93 H new ATOM 0 HD2 LYS A 70 -7.181 9.050 25.736 1.00 20.72 H new ATOM 0 HD3 LYS A 70 -7.333 8.186 24.447 1.00 20.72 H new ATOM 0 HE2 LYS A 70 -5.255 8.930 23.670 1.00 25.34 H new ATOM 0 HE3 LYS A 70 -5.109 9.870 24.906 1.00 25.34 H new ATOM 0 HZ1 LYS A 70 -3.987 7.824 25.144 1.00 22.58 H new ATOM 0 HZ2 LYS A 70 -4.887 8.085 26.255 1.00 22.58 H new ATOM 0 HZ3 LYS A 70 -5.270 7.145 25.214 1.00 22.58 H new ATOM 535 N PRO A 71 -8.810 12.429 21.770 1.00 10.55 N ATOM 536 CA PRO A 71 -8.611 12.509 20.317 1.00 7.86 C ATOM 537 C PRO A 71 -8.064 11.215 19.745 1.00 8.91 C ATOM 538 O PRO A 71 -7.165 10.590 20.313 1.00 8.34 O ATOM 539 CB PRO A 71 -7.602 13.654 20.157 1.00 10.68 C ATOM 540 CG PRO A 71 -7.791 14.489 21.380 1.00 13.48 C ATOM 541 CD PRO A 71 -8.110 13.517 22.481 1.00 10.01 C ATOM 0 HA PRO A 71 -9.441 12.661 19.839 1.00 7.86 H new ATOM 0 HB2 PRO A 71 -6.694 13.319 20.094 1.00 10.68 H new ATOM 0 HB3 PRO A 71 -7.772 14.165 19.350 1.00 10.68 H new ATOM 0 HG2 PRO A 71 -6.990 14.997 21.583 1.00 13.48 H new ATOM 0 HG3 PRO A 71 -8.510 15.129 21.259 1.00 13.48 H new ATOM 0 HD2 PRO A 71 -7.307 13.199 22.923 1.00 10.01 H new ATOM 0 HD3 PRO A 71 -8.670 13.919 23.164 1.00 10.01 H new ATOM 542 N GLU A 72 -8.599 10.837 18.583 1.00 6.50 N ATOM 543 CA GLU A 72 -8.102 9.691 17.839 1.00 8.97 C ATOM 544 C GLU A 72 -7.018 10.071 16.837 1.00 9.21 C ATOM 545 O GLU A 72 -6.332 9.188 16.312 1.00 9.49 O ATOM 546 CB GLU A 72 -9.288 8.994 17.155 1.00 14.95 C ATOM 547 CG GLU A 72 -10.351 8.624 18.194 1.00 12.08 C ATOM 548 CD GLU A 72 -11.660 8.170 17.603 1.00 17.37 C ATOM 549 OE1 GLU A 72 -12.662 8.913 17.724 1.00 17.89 O ATOM 550 OE2 GLU A 72 -11.677 7.061 17.041 1.00 14.41 O ATOM 0 H GLU A 72 -9.260 11.241 18.208 1.00 6.50 H new ATOM 0 HA GLU A 72 -7.679 9.078 18.460 1.00 8.97 H new ATOM 0 HB2 GLU A 72 -9.672 9.578 16.483 1.00 14.95 H new ATOM 0 HB3 GLU A 72 -8.983 8.196 16.696 1.00 14.95 H new ATOM 0 HG2 GLU A 72 -10.002 7.919 18.762 1.00 12.08 H new ATOM 0 HG3 GLU A 72 -10.514 9.392 18.763 1.00 12.08 H new ATOM 551 N LEU A 73 -6.837 11.366 16.596 1.00 6.73 N ATOM 552 CA LEU A 73 -5.770 11.910 15.767 1.00 6.96 C ATOM 553 C LEU A 73 -5.578 13.343 16.236 1.00 6.75 C ATOM 554 O LEU A 73 -6.563 14.022 16.527 1.00 7.21 O ATOM 555 CB LEU A 73 -6.133 11.891 14.273 1.00 8.91 C ATOM 556 CG LEU A 73 -5.190 12.663 13.329 1.00 4.32 C ATOM 557 CD1 LEU A 73 -3.844 11.960 13.242 1.00 5.70 C ATOM 558 CD2 LEU A 73 -5.802 12.811 11.929 1.00 8.52 C ATOM 0 H LEU A 73 -7.351 11.973 16.923 1.00 6.73 H new ATOM 0 HA LEU A 73 -4.964 11.377 15.857 1.00 6.96 H new ATOM 0 HB2 LEU A 73 -6.167 10.967 13.980 1.00 8.91 H new ATOM 0 HB3 LEU A 73 -7.027 12.253 14.173 1.00 8.91 H new ATOM 0 HG LEU A 73 -5.061 13.552 13.695 1.00 4.32 H new ATOM 0 HD11 LEU A 73 -3.259 12.453 12.646 1.00 5.70 H new ATOM 0 HD12 LEU A 73 -3.444 11.916 14.125 1.00 5.70 H new ATOM 0 HD13 LEU A 73 -3.970 11.061 12.900 1.00 5.70 H new ATOM 0 HD21 LEU A 73 -5.189 13.299 11.358 1.00 8.52 H new ATOM 0 HD22 LEU A 73 -5.964 11.932 11.552 1.00 8.52 H new ATOM 0 HD23 LEU A 73 -6.640 13.295 11.992 1.00 8.52 H new ATOM 559 N ALA A 74 -4.329 13.790 16.326 1.00 7.57 N ATOM 560 CA ALA A 74 -4.039 15.192 16.609 1.00 5.68 C ATOM 561 C ALA A 74 -3.301 15.793 15.425 1.00 5.70 C ATOM 562 O ALA A 74 -2.247 15.286 15.022 1.00 7.76 O ATOM 563 CB ALA A 74 -3.205 15.352 17.882 1.00 6.41 C ATOM 0 H ALA A 74 -3.633 13.295 16.226 1.00 7.57 H new ATOM 0 HA ALA A 74 -4.878 15.657 16.752 1.00 5.68 H new ATOM 0 HB1 ALA A 74 -3.031 16.293 18.039 1.00 6.41 H new ATOM 0 HB2 ALA A 74 -3.691 14.983 18.636 1.00 6.41 H new ATOM 0 HB3 ALA A 74 -2.363 14.881 17.779 1.00 6.41 H new ATOM 564 N ILE A 75 -3.842 16.878 14.885 1.00 4.53 N ATOM 565 CA ILE A 75 -3.207 17.592 13.782 1.00 5.43 C ATOM 566 C ILE A 75 -2.520 18.803 14.389 1.00 6.15 C ATOM 567 O ILE A 75 -3.186 19.644 14.996 1.00 7.18 O ATOM 568 CB ILE A 75 -4.225 18.024 12.718 1.00 6.95 C ATOM 569 CG1 ILE A 75 -5.074 16.846 12.240 1.00 8.64 C ATOM 570 CG2 ILE A 75 -3.499 18.698 11.561 1.00 6.85 C ATOM 571 CD1 ILE A 75 -6.186 17.262 11.292 1.00 10.30 C ATOM 0 H ILE A 75 -4.586 17.222 15.146 1.00 4.53 H new ATOM 0 HA ILE A 75 -2.573 17.014 13.329 1.00 5.43 H new ATOM 0 HB ILE A 75 -4.838 18.663 13.115 1.00 6.95 H new ATOM 0 HG12 ILE A 75 -4.502 16.201 11.796 1.00 8.64 H new ATOM 0 HG13 ILE A 75 -5.462 16.400 13.009 1.00 8.64 H new ATOM 0 HG21 ILE A 75 -4.143 18.971 10.889 1.00 6.85 H new ATOM 0 HG22 ILE A 75 -3.023 19.478 11.887 1.00 6.85 H new ATOM 0 HG23 ILE A 75 -2.867 18.075 11.169 1.00 6.85 H new ATOM 0 HD11 ILE A 75 -6.691 16.479 11.021 1.00 10.30 H new ATOM 0 HD12 ILE A 75 -6.776 17.888 11.740 1.00 10.30 H new ATOM 0 HD13 ILE A 75 -5.802 17.685 10.508 1.00 10.30 H new ATOM 572 N VAL A 76 -1.200 18.903 14.231 1.00 5.68 N ATOM 573 CA VAL A 76 -0.419 19.960 14.882 1.00 5.75 C ATOM 574 C VAL A 76 0.070 20.931 13.810 1.00 5.40 C ATOM 575 O VAL A 76 0.770 20.526 12.871 1.00 5.11 O ATOM 576 CB VAL A 76 0.748 19.378 15.693 1.00 6.26 C ATOM 577 CG1 VAL A 76 1.594 20.506 16.306 1.00 6.47 C ATOM 578 CG2 VAL A 76 0.213 18.464 16.783 1.00 4.04 C ATOM 0 H VAL A 76 -0.734 18.366 13.748 1.00 5.68 H new ATOM 0 HA VAL A 76 -0.980 20.435 15.515 1.00 5.75 H new ATOM 0 HB VAL A 76 1.315 18.862 15.099 1.00 6.26 H new ATOM 0 HG11 VAL A 76 2.326 20.122 16.814 1.00 6.47 H new ATOM 0 HG12 VAL A 76 1.951 21.065 15.598 1.00 6.47 H new ATOM 0 HG13 VAL A 76 1.040 21.044 16.893 1.00 6.47 H new ATOM 0 HG21 VAL A 76 0.954 18.099 17.292 1.00 4.04 H new ATOM 0 HG22 VAL A 76 -0.367 18.970 17.374 1.00 4.04 H new ATOM 0 HG23 VAL A 76 -0.290 17.739 16.380 1.00 4.04 H new ATOM 579 N GLU A 77 -0.281 22.216 13.965 1.00 4.56 N ATOM 580 CA GLU A 77 0.018 23.270 12.983 1.00 5.70 C ATOM 581 C GLU A 77 0.538 24.497 13.733 1.00 4.62 C ATOM 582 O GLU A 77 -0.229 25.396 14.076 1.00 5.06 O ATOM 583 CB GLU A 77 -1.235 23.600 12.181 1.00 6.20 C ATOM 584 CG GLU A 77 -1.104 24.713 11.159 1.00 7.76 C ATOM 585 CD GLU A 77 -1.561 26.069 11.701 1.00 8.72 C ATOM 586 OE1 GLU A 77 -0.860 27.063 11.422 1.00 9.39 O ATOM 587 OE2 GLU A 77 -2.602 26.143 12.404 1.00 8.10 O ATOM 0 H GLU A 77 -0.706 22.503 14.655 1.00 4.56 H new ATOM 0 HA GLU A 77 0.696 22.971 12.358 1.00 5.70 H new ATOM 0 HB2 GLU A 77 -1.523 22.796 11.721 1.00 6.20 H new ATOM 0 HB3 GLU A 77 -1.940 23.839 12.803 1.00 6.20 H new ATOM 0 HG2 GLU A 77 -0.179 24.778 10.874 1.00 7.76 H new ATOM 0 HG3 GLU A 77 -1.628 24.489 10.374 1.00 7.76 H new ATOM 588 N LEU A 78 1.844 24.542 13.981 1.00 3.93 N ATOM 589 CA LEU A 78 2.412 25.648 14.731 1.00 3.46 C ATOM 590 C LEU A 78 3.803 25.946 14.195 1.00 5.01 C ATOM 591 O LEU A 78 4.474 25.072 13.637 1.00 7.38 O ATOM 592 CB LEU A 78 2.510 25.333 16.228 1.00 3.00 C ATOM 593 CG LEU A 78 1.203 25.313 17.022 1.00 3.81 C ATOM 594 CD1 LEU A 78 1.482 24.806 18.436 1.00 7.82 C ATOM 595 CD2 LEU A 78 0.563 26.721 17.050 1.00 7.35 C ATOM 0 H LEU A 78 2.410 23.947 13.725 1.00 3.93 H new ATOM 0 HA LEU A 78 1.828 26.415 14.624 1.00 3.46 H new ATOM 0 HB2 LEU A 78 2.935 24.467 16.326 1.00 3.00 H new ATOM 0 HB3 LEU A 78 3.100 25.987 16.635 1.00 3.00 H new ATOM 0 HG LEU A 78 0.572 24.714 16.592 1.00 3.81 H new ATOM 0 HD11 LEU A 78 0.656 24.792 18.944 1.00 7.82 H new ATOM 0 HD12 LEU A 78 1.850 23.909 18.392 1.00 7.82 H new ATOM 0 HD13 LEU A 78 2.118 25.395 18.871 1.00 7.82 H new ATOM 0 HD21 LEU A 78 -0.264 26.691 17.557 1.00 7.35 H new ATOM 0 HD22 LEU A 78 1.175 27.347 17.468 1.00 7.35 H new ATOM 0 HD23 LEU A 78 0.376 27.010 16.143 1.00 7.35 H new ATOM 596 N GLY A 79 4.241 27.185 14.418 1.00 7.13 N ATOM 597 CA GLY A 79 5.566 27.613 14.011 1.00 6.87 C ATOM 598 C GLY A 79 5.517 28.880 13.185 1.00 8.80 C ATOM 599 O GLY A 79 6.487 29.647 13.157 1.00 9.01 O ATOM 0 H GLY A 79 3.776 27.794 14.808 1.00 7.13 H new ATOM 0 HA2 GLY A 79 6.114 27.760 14.797 1.00 6.87 H new ATOM 0 HA3 GLY A 79 5.990 26.908 13.497 1.00 6.87 H new ATOM 600 N GLY A 80 4.378 29.123 12.524 1.00 6.53 N ATOM 601 CA GLY A 80 4.248 30.329 11.712 1.00 6.87 C ATOM 602 C GLY A 80 4.463 31.612 12.501 1.00 9.19 C ATOM 603 O GLY A 80 5.078 32.562 12.009 1.00 10.77 O ATOM 0 H GLY A 80 3.686 28.612 12.534 1.00 6.53 H new ATOM 0 HA2 GLY A 80 4.889 30.293 10.985 1.00 6.87 H new ATOM 0 HA3 GLY A 80 3.365 30.348 11.311 1.00 6.87 H new ATOM 604 N ASN A 81 3.952 31.671 13.726 1.00 6.59 N ATOM 605 CA ASN A 81 4.138 32.896 14.500 1.00 5.81 C ATOM 606 C ASN A 81 5.570 33.030 15.009 1.00 12.83 C ATOM 607 O ASN A 81 6.061 34.159 15.164 1.00 11.45 O ATOM 608 CB ASN A 81 3.145 32.954 15.657 1.00 7.69 C ATOM 609 CG ASN A 81 1.750 33.301 15.185 1.00 18.11 C ATOM 610 OD1 ASN A 81 1.524 34.374 14.628 1.00 17.61 O ATOM 611 ND2 ASN A 81 0.816 32.387 15.374 1.00 10.79 N ATOM 0 H ASN A 81 3.512 31.043 14.116 1.00 6.59 H new ATOM 0 HA ASN A 81 3.969 33.646 13.908 1.00 5.81 H new ATOM 0 HB2 ASN A 81 3.129 32.098 16.112 1.00 7.69 H new ATOM 0 HB3 ASN A 81 3.441 33.613 16.304 1.00 7.69 H new ATOM 0 HD21 ASN A 81 0.012 32.531 15.103 1.00 10.79 H new ATOM 0 HD22 ASN A 81 1.011 31.648 15.768 1.00 10.79 H new ATOM 612 N ASP A 82 6.257 31.908 15.272 1.00 6.56 N ATOM 613 CA ASP A 82 7.689 31.999 15.558 1.00 8.41 C ATOM 614 C ASP A 82 8.415 32.644 14.385 1.00 12.75 C ATOM 615 O ASP A 82 9.272 33.513 14.576 1.00 11.71 O ATOM 616 CB ASP A 82 8.295 30.616 15.833 1.00 8.27 C ATOM 617 CG ASP A 82 7.637 29.888 17.001 1.00 6.78 C ATOM 618 OD1 ASP A 82 6.395 29.764 17.024 1.00 7.05 O ATOM 619 OD2 ASP A 82 8.381 29.427 17.887 1.00 9.04 O ATOM 0 H ASP A 82 5.924 31.115 15.289 1.00 6.56 H new ATOM 0 HA ASP A 82 7.797 32.544 16.353 1.00 8.41 H new ATOM 0 HB2 ASP A 82 8.216 30.071 15.035 1.00 8.27 H new ATOM 0 HB3 ASP A 82 9.243 30.716 16.015 1.00 8.27 H new ATOM 620 N LEU A 83 8.065 32.223 13.165 1.00 10.70 N ATOM 621 CA LEU A 83 8.573 32.828 11.931 1.00 15.42 C ATOM 622 C LEU A 83 8.350 34.332 11.893 1.00 21.29 C ATOM 623 O LEU A 83 9.268 35.104 11.592 1.00 24.56 O ATOM 624 CB LEU A 83 7.864 32.199 10.731 1.00 17.00 C ATOM 625 CG LEU A 83 8.417 30.928 10.139 1.00 27.73 C ATOM 626 CD1 LEU A 83 7.647 30.588 8.870 1.00 26.07 C ATOM 627 CD2 LEU A 83 9.877 31.139 9.849 1.00 29.22 C ATOM 0 H LEU A 83 7.520 31.571 13.031 1.00 10.70 H new ATOM 0 HA LEU A 83 9.528 32.664 11.899 1.00 15.42 H new ATOM 0 HB2 LEU A 83 6.946 32.025 10.991 1.00 17.00 H new ATOM 0 HB3 LEU A 83 7.838 32.864 10.025 1.00 17.00 H new ATOM 0 HG LEU A 83 8.321 30.186 10.757 1.00 27.73 H new ATOM 0 HD11 LEU A 83 8.000 29.770 8.486 1.00 26.07 H new ATOM 0 HD12 LEU A 83 6.709 30.465 9.084 1.00 26.07 H new ATOM 0 HD13 LEU A 83 7.741 31.312 8.231 1.00 26.07 H new ATOM 0 HD21 LEU A 83 10.251 30.330 9.467 1.00 29.22 H new ATOM 0 HD22 LEU A 83 9.980 31.871 9.221 1.00 29.22 H new ATOM 0 HD23 LEU A 83 10.343 31.353 10.672 1.00 29.22 H new ATOM 628 N LEU A 84 7.111 34.761 12.144 1.00 19.23 N ATOM 629 CA LEU A 84 6.773 36.179 12.043 1.00 21.27 C ATOM 630 C LEU A 84 7.523 37.014 13.068 1.00 27.94 C ATOM 631 O LEU A 84 7.736 38.212 12.856 1.00 27.96 O ATOM 632 CB LEU A 84 5.265 36.374 12.210 1.00 19.29 C ATOM 633 CG LEU A 84 4.413 35.647 11.167 1.00 31.52 C ATOM 634 CD1 LEU A 84 2.951 35.582 11.599 1.00 28.89 C ATOM 635 CD2 LEU A 84 4.550 36.315 9.811 1.00 41.75 C ATOM 0 H LEU A 84 6.458 34.250 12.372 1.00 19.23 H new ATOM 0 HA LEU A 84 7.043 36.482 11.162 1.00 21.27 H new ATOM 0 HB2 LEU A 84 5.006 36.068 13.093 1.00 19.29 H new ATOM 0 HB3 LEU A 84 5.066 37.323 12.169 1.00 19.29 H new ATOM 0 HG LEU A 84 4.738 34.736 11.093 1.00 31.52 H new ATOM 0 HD11 LEU A 84 2.434 35.118 10.922 1.00 28.89 H new ATOM 0 HD12 LEU A 84 2.883 35.105 12.441 1.00 28.89 H new ATOM 0 HD13 LEU A 84 2.605 36.482 11.708 1.00 28.89 H new ATOM 0 HD21 LEU A 84 4.005 35.844 9.161 1.00 41.75 H new ATOM 0 HD22 LEU A 84 4.254 37.237 9.873 1.00 41.75 H new ATOM 0 HD23 LEU A 84 5.478 36.292 9.531 1.00 41.75 H new ATOM 636 N ARG A 85 7.918 36.414 14.181 1.00 21.54 N ATOM 637 CA ARG A 85 8.699 37.110 15.195 1.00 19.63 C ATOM 638 C ARG A 85 10.199 36.915 15.021 1.00 17.94 C ATOM 639 O ARG A 85 10.970 37.428 15.838 1.00 25.72 O ATOM 640 CB ARG A 85 8.283 36.650 16.589 1.00 17.89 C ATOM 641 CG ARG A 85 6.795 36.804 16.858 1.00 26.15 C ATOM 642 CD ARG A 85 6.453 37.036 18.331 1.00 29.51 C ATOM 643 NE ARG A 85 5.145 36.467 18.682 1.00 41.81 N ATOM 644 CZ ARG A 85 3.995 36.704 18.040 1.00 57.47 C ATOM 645 NH1 ARG A 85 2.876 36.103 18.431 1.00 31.72 N ATOM 646 NH2 ARG A 85 3.939 37.556 17.023 1.00 58.01 N ATOM 0 H ARG A 85 7.742 35.594 14.371 1.00 21.54 H new ATOM 0 HA ARG A 85 8.515 38.056 15.087 1.00 19.63 H new ATOM 0 HB2 ARG A 85 8.530 35.719 16.702 1.00 17.89 H new ATOM 0 HB3 ARG A 85 8.778 37.157 17.251 1.00 17.89 H new ATOM 0 HG2 ARG A 85 6.456 37.547 16.335 1.00 26.15 H new ATOM 0 HG3 ARG A 85 6.335 36.007 16.550 1.00 26.15 H new ATOM 0 HD2 ARG A 85 7.139 36.638 18.889 1.00 29.51 H new ATOM 0 HD3 ARG A 85 6.452 37.988 18.517 1.00 29.51 H new ATOM 0 HE ARG A 85 5.116 35.936 19.358 1.00 41.81 H new ATOM 0 HH11 ARG A 85 2.890 35.560 19.098 1.00 31.72 H new ATOM 0 HH12 ARG A 85 2.138 36.257 18.017 1.00 31.72 H new ATOM 0 HH21 ARG A 85 4.650 37.967 16.766 1.00 58.01 H new ATOM 0 HH22 ARG A 85 3.192 37.697 16.621 1.00 58.01 H new ATOM 647 N GLY A 86 10.628 36.177 14.001 1.00 13.90 N ATOM 648 CA GLY A 86 12.050 35.936 13.799 1.00 13.50 C ATOM 649 C GLY A 86 12.697 35.126 14.901 1.00 12.82 C ATOM 650 O GLY A 86 13.909 35.243 15.123 1.00 14.01 O ATOM 0 H GLY A 86 10.114 35.809 13.418 1.00 13.90 H new ATOM 0 HA2 GLY A 86 12.174 35.474 12.955 1.00 13.50 H new ATOM 0 HA3 GLY A 86 12.506 36.789 13.726 1.00 13.50 H new ATOM 651 N LEU A 87 11.923 34.287 15.584 1.00 8.71 N ATOM 652 CA LEU A 87 12.427 33.529 16.720 1.00 7.30 C ATOM 653 C LEU A 87 13.311 32.373 16.259 1.00 6.76 C ATOM 654 O LEU A 87 13.216 31.893 15.125 1.00 9.99 O ATOM 655 CB LEU A 87 11.271 32.977 17.547 1.00 8.86 C ATOM 656 CG LEU A 87 10.332 34.026 18.142 1.00 14.22 C ATOM 657 CD1 LEU A 87 9.280 33.332 18.997 1.00 13.62 C ATOM 658 CD2 LEU A 87 11.107 35.059 18.954 1.00 12.70 C ATOM 0 H LEU A 87 11.095 34.143 15.402 1.00 8.71 H new ATOM 0 HA LEU A 87 12.957 34.132 17.264 1.00 7.30 H new ATOM 0 HB2 LEU A 87 10.751 32.378 16.989 1.00 8.86 H new ATOM 0 HB3 LEU A 87 11.636 32.444 18.271 1.00 8.86 H new ATOM 0 HG LEU A 87 9.890 34.502 17.421 1.00 14.22 H new ATOM 0 HD11 LEU A 87 8.682 33.995 19.376 1.00 13.62 H new ATOM 0 HD12 LEU A 87 8.771 32.715 18.447 1.00 13.62 H new ATOM 0 HD13 LEU A 87 9.715 32.843 19.713 1.00 13.62 H new ATOM 0 HD21 LEU A 87 10.490 35.712 19.320 1.00 12.70 H new ATOM 0 HD22 LEU A 87 11.576 34.616 19.678 1.00 12.70 H new ATOM 0 HD23 LEU A 87 11.748 35.507 18.380 1.00 12.70 H new ATOM 659 N SER A 88 14.153 31.922 17.179 1.00 6.60 N ATOM 660 CA SER A 88 15.096 30.839 16.929 1.00 10.51 C ATOM 661 C SER A 88 14.388 29.606 16.363 1.00 4.69 C ATOM 662 O SER A 88 13.451 29.092 16.993 1.00 6.17 O ATOM 663 CB SER A 88 15.796 30.469 18.237 1.00 10.08 C ATOM 664 OG SER A 88 16.389 29.177 18.183 1.00 8.67 O ATOM 0 H SER A 88 14.194 32.240 17.977 1.00 6.60 H new ATOM 0 HA SER A 88 15.745 31.142 16.275 1.00 10.51 H new ATOM 0 HB2 SER A 88 16.479 31.129 18.434 1.00 10.08 H new ATOM 0 HB3 SER A 88 15.155 30.499 18.964 1.00 10.08 H new ATOM 0 HG SER A 88 17.081 29.206 17.708 1.00 8.67 H new ATOM 665 N PRO A 89 14.824 29.084 15.213 1.00 6.09 N ATOM 666 CA PRO A 89 14.281 27.791 14.759 1.00 8.84 C ATOM 667 C PRO A 89 14.619 26.648 15.694 1.00 7.33 C ATOM 668 O PRO A 89 13.819 25.711 15.836 1.00 8.52 O ATOM 669 CB PRO A 89 14.926 27.596 13.374 1.00 9.25 C ATOM 670 CG PRO A 89 15.336 28.985 12.937 1.00 10.22 C ATOM 671 CD PRO A 89 15.746 29.675 14.228 1.00 8.31 C ATOM 0 HA PRO A 89 13.311 27.795 14.734 1.00 8.84 H new ATOM 0 HB2 PRO A 89 15.692 27.002 13.423 1.00 9.25 H new ATOM 0 HB3 PRO A 89 14.300 27.201 12.747 1.00 9.25 H new ATOM 0 HG2 PRO A 89 16.069 28.955 12.303 1.00 10.22 H new ATOM 0 HG3 PRO A 89 14.604 29.451 12.503 1.00 10.22 H new ATOM 0 HD2 PRO A 89 16.674 29.501 14.452 1.00 8.31 H new ATOM 0 HD3 PRO A 89 15.644 30.638 14.171 1.00 8.31 H new ATOM 672 N ALA A 90 15.788 26.683 16.334 1.00 6.05 N ATOM 673 CA ALA A 90 16.138 25.631 17.284 1.00 9.64 C ATOM 674 C ALA A 90 15.144 25.571 18.442 1.00 8.66 C ATOM 675 O ALA A 90 14.703 24.487 18.834 1.00 9.52 O ATOM 676 CB ALA A 90 17.565 25.845 17.803 1.00 11.38 C ATOM 0 H ALA A 90 16.382 27.297 16.234 1.00 6.05 H new ATOM 0 HA ALA A 90 16.096 24.779 16.821 1.00 9.64 H new ATOM 0 HB1 ALA A 90 17.789 25.142 18.433 1.00 11.38 H new ATOM 0 HB2 ALA A 90 18.187 25.822 17.059 1.00 11.38 H new ATOM 0 HB3 ALA A 90 17.623 26.706 18.246 1.00 11.38 H new ATOM 677 N GLU A 91 14.762 26.727 18.991 1.00 5.97 N ATOM 678 CA GLU A 91 13.798 26.717 20.087 1.00 8.04 C ATOM 679 C GLU A 91 12.406 26.312 19.613 1.00 5.93 C ATOM 680 O GLU A 91 11.679 25.642 20.351 1.00 6.44 O ATOM 681 CB GLU A 91 13.788 28.080 20.768 1.00 8.00 C ATOM 682 CG GLU A 91 15.180 28.409 21.242 1.00 11.58 C ATOM 683 CD GLU A 91 15.273 29.708 21.969 1.00 15.95 C ATOM 684 OE1 GLU A 91 14.232 30.349 22.211 1.00 13.29 O ATOM 685 OE2 GLU A 91 16.418 30.090 22.278 1.00 14.16 O ATOM 0 H GLU A 91 15.041 27.504 18.751 1.00 5.97 H new ATOM 0 HA GLU A 91 14.070 26.048 20.734 1.00 8.04 H new ATOM 0 HB2 GLU A 91 13.476 28.760 20.150 1.00 8.00 H new ATOM 0 HB3 GLU A 91 13.173 28.074 21.518 1.00 8.00 H new ATOM 0 HG2 GLU A 91 15.491 27.698 21.824 1.00 11.58 H new ATOM 0 HG3 GLU A 91 15.777 28.432 20.478 1.00 11.58 H new ATOM 686 N ALA A 92 12.027 26.677 18.387 1.00 7.20 N ATOM 687 CA ALA A 92 10.746 26.208 17.858 1.00 8.68 C ATOM 688 C ALA A 92 10.731 24.687 17.749 1.00 6.79 C ATOM 689 O ALA A 92 9.728 24.039 18.072 1.00 6.16 O ATOM 690 CB ALA A 92 10.471 26.852 16.496 1.00 7.34 C ATOM 0 H ALA A 92 12.482 27.181 17.859 1.00 7.20 H new ATOM 0 HA ALA A 92 10.043 26.471 18.472 1.00 8.68 H new ATOM 0 HB1 ALA A 92 9.620 26.535 16.154 1.00 7.34 H new ATOM 0 HB2 ALA A 92 10.440 27.817 16.594 1.00 7.34 H new ATOM 0 HB3 ALA A 92 11.178 26.613 15.876 1.00 7.34 H new ATOM 691 N ARG A 93 11.840 24.100 17.294 1.00 4.76 N ATOM 692 CA ARG A 93 11.936 22.642 17.234 1.00 5.24 C ATOM 693 C ARG A 93 11.798 22.024 18.617 1.00 6.40 C ATOM 694 O ARG A 93 11.127 21.001 18.784 1.00 7.97 O ATOM 695 CB ARG A 93 13.268 22.231 16.598 1.00 7.36 C ATOM 696 CG ARG A 93 13.434 20.718 16.439 1.00 8.53 C ATOM 697 CD ARG A 93 14.807 20.403 15.826 1.00 10.86 C ATOM 698 NE ARG A 93 15.887 20.950 16.643 1.00 12.73 N ATOM 699 CZ ARG A 93 16.823 21.789 16.200 1.00 21.29 C ATOM 700 NH1 ARG A 93 17.752 22.239 17.031 1.00 19.40 N ATOM 701 NH2 ARG A 93 16.844 22.172 14.931 1.00 23.02 N ATOM 0 H ARG A 93 12.538 24.521 17.019 1.00 4.76 H new ATOM 0 HA ARG A 93 11.206 22.312 16.686 1.00 5.24 H new ATOM 0 HB2 ARG A 93 13.344 22.650 15.726 1.00 7.36 H new ATOM 0 HB3 ARG A 93 13.995 22.573 17.141 1.00 7.36 H new ATOM 0 HG2 ARG A 93 13.349 20.283 17.302 1.00 8.53 H new ATOM 0 HG3 ARG A 93 12.730 20.365 15.873 1.00 8.53 H new ATOM 0 HD2 ARG A 93 14.915 19.443 15.744 1.00 10.86 H new ATOM 0 HD3 ARG A 93 14.857 20.772 14.930 1.00 10.86 H new ATOM 0 HE ARG A 93 15.921 20.714 17.469 1.00 12.73 H new ATOM 0 HH11 ARG A 93 17.750 21.990 17.854 1.00 19.40 H new ATOM 0 HH12 ARG A 93 18.357 22.780 16.747 1.00 19.40 H new ATOM 0 HH21 ARG A 93 16.249 21.879 14.383 1.00 23.02 H new ATOM 0 HH22 ARG A 93 17.452 22.714 14.655 1.00 23.02 H new ATOM 702 N GLN A 94 12.439 22.628 19.620 1.00 6.43 N ATOM 703 CA GLN A 94 12.352 22.105 20.979 1.00 5.50 C ATOM 704 C GLN A 94 10.926 22.189 21.505 1.00 7.58 C ATOM 705 O GLN A 94 10.428 21.244 22.125 1.00 5.85 O ATOM 706 CB GLN A 94 13.297 22.883 21.887 1.00 9.45 C ATOM 707 CG GLN A 94 14.762 22.758 21.500 1.00 13.72 C ATOM 708 CD GLN A 94 15.614 23.878 22.071 1.00 32.79 C ATOM 709 OE1 GLN A 94 15.208 24.574 23.007 1.00 23.89 O ATOM 710 NE2 GLN A 94 16.797 24.068 21.497 1.00 28.43 N ATOM 0 H GLN A 94 12.923 23.333 19.534 1.00 6.43 H new ATOM 0 HA GLN A 94 12.612 21.171 20.969 1.00 5.50 H new ATOM 0 HB2 GLN A 94 13.047 23.820 21.874 1.00 9.45 H new ATOM 0 HB3 GLN A 94 13.184 22.572 22.799 1.00 9.45 H new ATOM 0 HG2 GLN A 94 15.104 21.905 21.811 1.00 13.72 H new ATOM 0 HG3 GLN A 94 14.839 22.758 20.533 1.00 13.72 H new ATOM 0 HE21 GLN A 94 17.046 23.563 20.847 1.00 28.43 H new ATOM 0 HE22 GLN A 94 17.314 24.696 21.775 1.00 28.43 H new ATOM 711 N ASN A 95 10.258 23.320 21.269 1.00 6.25 N ATOM 712 CA ASN A 95 8.892 23.485 21.757 1.00 5.40 C ATOM 713 C ASN A 95 7.942 22.509 21.070 1.00 5.59 C ATOM 714 O ASN A 95 7.086 21.897 21.721 1.00 5.10 O ATOM 715 CB ASN A 95 8.428 24.923 21.527 1.00 6.25 C ATOM 716 CG ASN A 95 9.215 25.932 22.340 1.00 7.65 C ATOM 717 OD1 ASN A 95 9.817 25.594 23.378 1.00 10.51 O ATOM 718 ND2 ASN A 95 9.207 27.189 21.885 1.00 7.20 N ATOM 0 H ASN A 95 10.573 23.992 20.835 1.00 6.25 H new ATOM 0 HA ASN A 95 8.883 23.294 22.708 1.00 5.40 H new ATOM 0 HB2 ASN A 95 8.511 25.138 20.585 1.00 6.25 H new ATOM 0 HB3 ASN A 95 7.487 24.995 21.753 1.00 6.25 H new ATOM 0 HD21 ASN A 95 9.629 27.804 22.313 1.00 7.20 H new ATOM 0 HD22 ASN A 95 8.780 27.383 21.164 1.00 7.20 H new ATOM 719 N LEU A 96 8.064 22.373 19.750 1.00 5.85 N ATOM 720 CA LEU A 96 7.252 21.395 19.034 1.00 4.63 C ATOM 721 C LEU A 96 7.545 19.986 19.524 1.00 6.00 C ATOM 722 O LEU A 96 6.632 19.158 19.635 1.00 6.83 O ATOM 723 CB LEU A 96 7.503 21.498 17.523 1.00 4.38 C ATOM 724 CG LEU A 96 6.793 22.670 16.848 1.00 7.91 C ATOM 725 CD1 LEU A 96 7.392 22.975 15.483 1.00 7.98 C ATOM 726 CD2 LEU A 96 5.288 22.380 16.709 1.00 9.35 C ATOM 0 H LEU A 96 8.602 22.830 19.259 1.00 5.85 H new ATOM 0 HA LEU A 96 6.318 21.589 19.209 1.00 4.63 H new ATOM 0 HB2 LEU A 96 8.457 21.579 17.369 1.00 4.38 H new ATOM 0 HB3 LEU A 96 7.216 20.673 17.101 1.00 4.38 H new ATOM 0 HG LEU A 96 6.916 23.450 17.411 1.00 7.91 H new ATOM 0 HD11 LEU A 96 6.920 23.722 15.082 1.00 7.98 H new ATOM 0 HD12 LEU A 96 8.330 23.202 15.584 1.00 7.98 H new ATOM 0 HD13 LEU A 96 7.308 22.196 14.911 1.00 7.98 H new ATOM 0 HD21 LEU A 96 4.852 23.132 16.279 1.00 9.35 H new ATOM 0 HD22 LEU A 96 5.160 21.583 16.172 1.00 9.35 H new ATOM 0 HD23 LEU A 96 4.902 22.242 17.588 1.00 9.35 H new ATOM 727 N SER A 97 8.815 19.695 19.827 1.00 7.57 N ATOM 728 CA SER A 97 9.155 18.384 20.377 1.00 3.93 C ATOM 729 C SER A 97 8.381 18.114 21.656 1.00 6.90 C ATOM 730 O SER A 97 7.882 17.000 21.865 1.00 9.75 O ATOM 731 CB SER A 97 10.659 18.291 20.660 1.00 11.12 C ATOM 732 OG SER A 97 11.416 18.269 19.478 1.00 18.49 O ATOM 0 H SER A 97 9.479 20.232 19.724 1.00 7.57 H new ATOM 0 HA SER A 97 8.913 17.716 19.717 1.00 3.93 H new ATOM 0 HB2 SER A 97 10.932 19.046 21.204 1.00 11.12 H new ATOM 0 HB3 SER A 97 10.841 17.490 21.175 1.00 11.12 H new ATOM 0 HG SER A 97 11.426 19.037 19.137 1.00 18.49 H new ATOM 733 N GLY A 98 8.273 19.125 22.526 1.00 9.04 N ATOM 734 CA GLY A 98 7.541 18.944 23.772 1.00 8.15 C ATOM 735 C GLY A 98 6.068 18.661 23.538 1.00 5.91 C ATOM 736 O GLY A 98 5.455 17.866 24.256 1.00 7.62 O ATOM 0 H GLY A 98 8.611 19.907 22.412 1.00 9.04 H new ATOM 0 HA2 GLY A 98 7.934 18.211 24.272 1.00 8.15 H new ATOM 0 HA3 GLY A 98 7.633 19.741 24.317 1.00 8.15 H new ATOM 737 N ILE A 99 5.482 19.314 22.533 1.00 5.44 N ATOM 738 CA ILE A 99 4.087 19.056 22.182 1.00 3.71 C ATOM 739 C ILE A 99 3.926 17.627 21.682 1.00 5.12 C ATOM 740 O ILE A 99 3.035 16.889 22.123 1.00 7.96 O ATOM 741 CB ILE A 99 3.605 20.067 21.122 1.00 4.36 C ATOM 742 CG1 ILE A 99 3.625 21.499 21.682 1.00 5.07 C ATOM 743 CG2 ILE A 99 2.203 19.691 20.643 1.00 6.44 C ATOM 744 CD1 ILE A 99 3.576 22.566 20.606 1.00 5.25 C ATOM 0 H ILE A 99 5.872 19.906 22.046 1.00 5.44 H new ATOM 0 HA ILE A 99 3.539 19.165 22.975 1.00 3.71 H new ATOM 0 HB ILE A 99 4.211 20.037 20.365 1.00 4.36 H new ATOM 0 HG12 ILE A 99 2.870 21.616 22.279 1.00 5.07 H new ATOM 0 HG13 ILE A 99 4.428 21.621 22.213 1.00 5.07 H new ATOM 0 HG21 ILE A 99 1.906 20.331 19.977 1.00 6.44 H new ATOM 0 HG22 ILE A 99 2.221 18.803 20.253 1.00 6.44 H new ATOM 0 HG23 ILE A 99 1.591 19.700 21.395 1.00 6.44 H new ATOM 0 HD11 ILE A 99 3.591 23.443 21.019 1.00 5.25 H new ATOM 0 HD12 ILE A 99 4.344 22.471 20.021 1.00 5.25 H new ATOM 0 HD13 ILE A 99 2.762 22.467 20.089 1.00 5.25 H new ATOM 745 N LEU A 100 4.774 17.219 20.733 1.00 5.19 N ATOM 746 CA LEU A 100 4.624 15.877 20.177 1.00 8.45 C ATOM 747 C LEU A 100 4.893 14.812 21.229 1.00 8.98 C ATOM 748 O LEU A 100 4.258 13.751 21.207 1.00 8.50 O ATOM 749 CB LEU A 100 5.542 15.692 18.968 1.00 8.17 C ATOM 750 CG LEU A 100 5.371 16.734 17.859 1.00 11.27 C ATOM 751 CD1 LEU A 100 6.159 16.337 16.598 1.00 10.87 C ATOM 752 CD2 LEU A 100 3.908 16.939 17.526 1.00 13.08 C ATOM 0 H LEU A 100 5.419 17.686 20.409 1.00 5.19 H new ATOM 0 HA LEU A 100 3.705 15.775 19.883 1.00 8.45 H new ATOM 0 HB2 LEU A 100 6.463 15.712 19.272 1.00 8.17 H new ATOM 0 HB3 LEU A 100 5.386 14.811 18.592 1.00 8.17 H new ATOM 0 HG LEU A 100 5.729 17.573 18.188 1.00 11.27 H new ATOM 0 HD11 LEU A 100 6.034 17.012 15.912 1.00 10.87 H new ATOM 0 HD12 LEU A 100 7.102 16.267 16.814 1.00 10.87 H new ATOM 0 HD13 LEU A 100 5.838 15.482 16.272 1.00 10.87 H new ATOM 0 HD21 LEU A 100 3.826 17.602 16.823 1.00 13.08 H new ATOM 0 HD22 LEU A 100 3.524 16.100 17.226 1.00 13.08 H new ATOM 0 HD23 LEU A 100 3.436 17.246 18.316 1.00 13.08 H new ATOM 753 N AGLU A 101 5.814 15.080 22.159 0.55 10.38 N ATOM 754 N BGLU A 101 5.815 15.080 22.160 0.45 10.37 N ATOM 755 CA AGLU A 101 6.096 14.119 23.220 0.55 9.56 C ATOM 756 CA BGLU A 101 6.096 14.127 23.230 0.45 9.58 C ATOM 757 C AGLU A 101 4.874 13.886 24.097 0.55 11.04 C ATOM 758 C BGLU A 101 4.870 13.887 24.097 0.45 11.03 C ATOM 759 O AGLU A 101 4.607 12.751 24.510 0.55 11.77 O ATOM 760 O BGLU A 101 4.601 12.751 24.503 0.45 11.77 O ATOM 761 CB AGLU A 101 7.275 14.602 24.063 0.55 11.15 C ATOM 762 CB BGLU A 101 7.261 14.624 24.084 0.45 11.14 C ATOM 763 CG AGLU A 101 7.730 13.591 25.088 0.55 10.74 C ATOM 764 CG BGLU A 101 8.589 14.213 23.518 0.45 10.05 C ATOM 765 CD AGLU A 101 8.843 14.115 25.967 0.55 22.18 C ATOM 766 CD BGLU A 101 9.774 14.796 24.253 0.45 21.42 C ATOM 767 OE1AGLU A 101 10.025 13.922 25.608 0.55 19.27 O ATOM 768 OE1BGLU A 101 9.589 15.399 25.336 0.45 16.80 O ATOM 769 OE2AGLU A 101 8.534 14.720 27.018 0.55 23.75 O ATOM 770 OE2BGLU A 101 10.897 14.648 23.727 0.45 17.02 O ATOM 0 H AGLU A 101 6.279 15.803 22.191 0.55 10.37 H new ATOM 0 H BGLU A 101 6.282 15.801 22.187 0.45 10.37 H new ATOM 0 HA AGLU A 101 6.327 13.272 22.807 0.55 9.58 H new ATOM 0 HA BGLU A 101 6.339 13.282 22.821 0.45 9.58 H new ATOM 0 HB2AGLU A 101 8.018 14.816 23.477 0.55 11.14 H new ATOM 0 HB2BGLU A 101 7.224 15.591 24.149 0.45 11.14 H new ATOM 0 HB3AGLU A 101 7.026 15.423 24.516 0.55 11.14 H new ATOM 0 HB3BGLU A 101 7.172 14.275 24.985 0.45 11.14 H new ATOM 0 HG2AGLU A 101 6.976 13.337 25.643 0.55 10.05 H new ATOM 0 HG2BGLU A 101 8.653 13.245 23.536 0.45 10.05 H new ATOM 0 HG3AGLU A 101 8.031 12.788 24.634 0.55 10.05 H new ATOM 0 HG3BGLU A 101 8.632 14.483 22.587 0.45 10.05 H new ATOM 771 N GLU A 102 4.126 14.950 24.403 1.00 6.96 N ATOM 772 CA GLU A 102 2.909 14.801 25.196 1.00 8.97 C ATOM 773 C GLU A 102 1.861 13.984 24.448 1.00 8.93 C ATOM 774 O GLU A 102 1.193 13.124 25.037 1.00 11.71 O ATOM 775 CB GLU A 102 2.356 16.177 25.556 1.00 11.13 C ATOM 776 CG GLU A 102 1.060 16.139 26.376 1.00 10.58 C ATOM 777 CD GLU A 102 1.250 15.515 27.755 1.00 21.93 C ATOM 778 OE1 GLU A 102 2.393 15.529 28.264 1.00 21.58 O ATOM 779 OE2 GLU A 102 0.256 15.013 28.326 1.00 16.12 O ATOM 0 H AGLU A 102 4.305 15.756 24.163 0.55 6.96 H new ATOM 0 H BGLU A 102 4.306 15.756 24.164 0.45 6.96 H new ATOM 0 HA GLU A 102 3.130 14.323 26.011 1.00 8.97 H new ATOM 0 HB2 GLU A 102 3.029 16.664 26.056 1.00 11.13 H new ATOM 0 HB3 GLU A 102 2.195 16.674 24.739 1.00 11.13 H new ATOM 0 HG2 GLU A 102 0.721 17.042 26.478 1.00 10.58 H new ATOM 0 HG3 GLU A 102 0.388 15.637 25.888 1.00 10.58 H new ATOM 780 N LEU A 103 1.716 14.218 23.145 1.00 8.90 N ATOM 781 CA LEU A 103 0.762 13.420 22.379 1.00 5.00 C ATOM 782 C LEU A 103 1.188 11.962 22.322 1.00 9.83 C ATOM 783 O LEU A 103 0.357 11.061 22.489 1.00 10.07 O ATOM 784 CB LEU A 103 0.621 14.001 20.973 1.00 7.85 C ATOM 785 CG LEU A 103 -0.090 15.356 20.947 1.00 4.40 C ATOM 786 CD1 LEU A 103 0.198 16.071 19.621 1.00 6.18 C ATOM 787 CD2 LEU A 103 -1.590 15.184 21.151 1.00 4.18 C ATOM 0 H LEU A 103 2.145 14.814 22.698 1.00 8.90 H new ATOM 0 HA LEU A 103 -0.100 13.453 22.823 1.00 5.00 H new ATOM 0 HB2 LEU A 103 1.502 14.098 20.580 1.00 7.85 H new ATOM 0 HB3 LEU A 103 0.130 13.374 20.419 1.00 7.85 H new ATOM 0 HG LEU A 103 0.249 15.899 21.676 1.00 4.40 H new ATOM 0 HD11 LEU A 103 -0.255 16.929 19.611 1.00 6.18 H new ATOM 0 HD12 LEU A 103 1.154 16.209 19.529 1.00 6.18 H new ATOM 0 HD13 LEU A 103 -0.122 15.528 18.884 1.00 6.18 H new ATOM 0 HD21 LEU A 103 -2.021 16.053 21.131 1.00 4.18 H new ATOM 0 HD22 LEU A 103 -1.951 14.628 20.443 1.00 4.18 H new ATOM 0 HD23 LEU A 103 -1.754 14.762 22.009 1.00 4.18 H new ATOM 788 N GLN A 104 2.481 11.712 22.092 1.00 8.10 N ATOM 789 CA GLN A 104 2.974 10.341 22.001 1.00 10.85 C ATOM 790 C GLN A 104 2.857 9.617 23.335 1.00 15.76 C ATOM 791 O GLN A 104 2.580 8.407 23.367 1.00 12.51 O ATOM 792 CB GLN A 104 4.425 10.346 21.523 1.00 17.28 C ATOM 793 CG GLN A 104 4.850 9.058 20.855 1.00 23.17 C ATOM 794 CD GLN A 104 6.242 9.154 20.267 1.00 26.70 C ATOM 795 OE1 GLN A 104 7.175 9.600 20.931 1.00 27.53 O ATOM 796 NE2 GLN A 104 6.386 8.738 19.014 1.00 39.60 N ATOM 0 H GLN A 104 3.081 12.319 21.987 1.00 8.10 H new ATOM 0 HA GLN A 104 2.426 9.863 21.360 1.00 10.85 H new ATOM 0 HB2 GLN A 104 4.550 11.080 20.901 1.00 17.28 H new ATOM 0 HB3 GLN A 104 5.006 10.515 22.281 1.00 17.28 H new ATOM 0 HG2 GLN A 104 4.822 8.335 21.501 1.00 23.17 H new ATOM 0 HG3 GLN A 104 4.218 8.835 20.153 1.00 23.17 H new ATOM 0 HE21 GLN A 104 5.708 8.432 18.582 1.00 39.60 H new ATOM 0 HE22 GLN A 104 7.157 8.775 18.635 1.00 39.60 H new ATOM 797 N AARG A 105 3.062 10.343 24.438 0.45 10.35 N ATOM 798 N BARG A 105 3.081 10.330 24.443 0.55 10.31 N ATOM 799 CA AARG A 105 2.884 9.780 25.773 0.45 14.17 C ATOM 800 CA BARG A 105 2.882 9.735 25.762 0.55 14.14 C ATOM 801 C AARG A 105 1.465 9.269 25.988 0.45 14.04 C ATOM 802 C BARG A 105 1.463 9.203 25.918 0.55 14.01 C ATOM 803 O AARG A 105 1.256 8.300 26.726 0.45 13.89 O ATOM 804 O BARG A 105 1.249 8.152 26.532 0.55 13.97 O ATOM 805 CB AARG A 105 3.235 10.841 26.820 0.45 14.64 C ATOM 806 CB BARG A 105 3.194 10.762 26.855 0.55 14.64 C ATOM 807 CG AARG A 105 3.734 10.301 28.140 0.45 21.86 C ATOM 808 CG BARG A 105 3.043 10.232 28.276 0.55 19.99 C ATOM 809 CD AARG A 105 4.706 11.267 28.807 0.45 16.03 C ATOM 810 CD BARG A 105 3.424 11.277 29.329 0.55 17.35 C ATOM 811 NE AARG A 105 4.388 12.677 28.577 0.45 17.13 N ATOM 812 NE BARG A 105 2.416 12.327 29.467 0.55 16.96 N ATOM 813 CZ AARG A 105 5.293 13.589 28.235 0.45 14.63 C ATOM 814 CZ BARG A 105 1.249 12.166 30.082 0.55 16.10 C ATOM 815 NH1AARG A 105 6.558 13.225 28.084 0.45 18.71 N ATOM 816 NH1BARG A 105 0.941 10.993 30.620 0.55 24.89 N ATOM 817 NH2AARG A 105 4.945 14.860 28.048 0.45 8.29 N ATOM 818 NH2BARG A 105 0.393 13.176 30.168 0.55 18.70 N ATOM 0 H AARG A 105 3.306 11.168 24.431 0.45 10.31 H new ATOM 0 H BARG A 105 3.345 11.148 24.451 0.55 10.31 H new ATOM 0 HA AARG A 105 3.478 9.019 25.865 0.45 14.14 H new ATOM 0 HA BARG A 105 3.491 8.985 25.852 0.55 14.14 H new ATOM 0 HB2AARG A 105 3.913 11.428 26.450 0.45 14.64 H new ATOM 0 HB2BARG A 105 4.102 11.081 26.735 0.55 14.64 H new ATOM 0 HB3AARG A 105 2.449 11.384 26.986 0.45 14.64 H new ATOM 0 HB3BARG A 105 2.608 11.527 26.742 0.55 14.64 H new ATOM 0 HG2AARG A 105 2.981 10.139 28.730 0.45 19.99 H new ATOM 0 HG2BARG A 105 2.125 9.952 28.419 0.55 19.99 H new ATOM 0 HG3AARG A 105 4.171 9.447 27.997 0.45 19.99 H new ATOM 0 HG3BARG A 105 3.600 9.446 28.387 0.55 19.99 H new ATOM 0 HD2AARG A 105 4.713 11.097 29.762 0.45 17.35 H new ATOM 0 HD2BARG A 105 3.549 10.838 30.185 0.55 17.35 H new ATOM 0 HD3AARG A 105 5.602 11.089 28.480 0.45 17.35 H new ATOM 0 HD3BARG A 105 4.274 11.678 29.089 0.55 17.35 H new ATOM 0 HE AARG A 105 3.571 12.929 28.668 0.45 16.96 H new ATOM 0 HE BARG A 105 2.589 13.098 29.128 0.55 16.96 H new ATOM 0 HH11AARG A 105 6.787 12.405 28.207 0.45 24.89 H new ATOM 0 HH11BARG A 105 1.496 10.338 30.570 0.55 24.89 H new ATOM 0 HH12AARG A 105 7.150 13.808 27.863 0.45 24.89 H new ATOM 0 HH12BARG A 105 0.186 10.888 31.018 0.55 24.89 H new ATOM 0 HH21AARG A 105 4.125 15.101 28.148 0.45 18.70 H new ATOM 0 HH21BARG A 105 0.592 13.939 29.825 0.55 18.70 H new ATOM 0 HH22AARG A 105 5.540 15.441 27.827 0.45 18.70 H new ATOM 0 HH22BARG A 105 -0.361 13.068 30.567 0.55 18.70 H new ATOM 819 N ARG A 106 0.479 9.913 25.368 1.00 10.51 N ATOM 820 CA ARG A 106 -0.913 9.495 25.450 1.00 10.40 C ATOM 821 C ARG A 106 -1.321 8.583 24.310 1.00 11.23 C ATOM 822 O ARG A 106 -2.504 8.245 24.204 1.00 10.52 O ATOM 823 CB ARG A 106 -1.835 10.715 25.468 1.00 11.82 C ATOM 824 CG ARG A 106 -1.474 11.701 26.549 1.00 14.84 C ATOM 825 CD ARG A 106 -2.573 12.708 26.739 1.00 17.43 C ATOM 826 NE ARG A 106 -2.174 13.764 27.663 1.00 19.94 N ATOM 827 CZ ARG A 106 -3.015 14.396 28.473 1.00 13.15 C ATOM 828 NH1 ARG A 106 -4.300 14.059 28.486 1.00 11.41 N ATOM 829 NH2 ARG A 106 -2.564 15.350 29.284 1.00 17.12 N ATOM 0 H AARG A 106 0.603 10.612 24.883 0.45 10.51 H new ATOM 0 H BARG A 106 0.602 10.648 24.939 0.55 10.51 H new ATOM 0 HA ARG A 106 -1.000 8.994 26.276 1.00 10.40 H new ATOM 0 HB2 ARG A 106 -1.796 11.158 24.606 1.00 11.82 H new ATOM 0 HB3 ARG A 106 -2.751 10.422 25.596 1.00 11.82 H new ATOM 0 HG2 ARG A 106 -1.313 11.230 27.382 1.00 14.84 H new ATOM 0 HG3 ARG A 106 -0.649 12.156 26.316 1.00 14.84 H new ATOM 0 HD2 ARG A 106 -2.809 13.097 25.882 1.00 17.43 H new ATOM 0 HD3 ARG A 106 -3.366 12.264 27.076 1.00 17.43 H new ATOM 0 HE ARG A 106 -1.345 13.991 27.684 1.00 19.94 H new ATOM 0 HH11 ARG A 106 -4.586 13.433 27.970 1.00 11.41 H new ATOM 0 HH12 ARG A 106 -4.846 14.467 29.010 1.00 11.41 H new ATOM 0 HH21 ARG A 106 -1.729 15.556 29.283 1.00 17.12 H new ATOM 0 HH22 ARG A 106 -3.107 15.760 29.809 1.00 17.12 H new ATOM 830 N LYS A 107 -0.374 8.204 23.452 1.00 11.78 N ATOM 831 CA LYS A 107 -0.626 7.303 22.328 1.00 10.81 C ATOM 832 C LYS A 107 -1.671 7.877 21.372 1.00 13.69 C ATOM 833 O LYS A 107 -2.517 7.155 20.839 1.00 11.06 O ATOM 834 CB LYS A 107 -1.023 5.908 22.826 1.00 12.94 C ATOM 835 CG LYS A 107 0.060 5.267 23.688 1.00 19.61 C ATOM 836 CD LYS A 107 -0.467 4.037 24.417 1.00 36.08 C ATOM 837 CE LYS A 107 0.487 3.598 25.519 1.00 51.27 C ATOM 838 NZ LYS A 107 -0.159 3.650 26.867 1.00 56.75 N ATOM 0 H LYS A 107 0.443 8.467 23.507 1.00 11.78 H new ATOM 0 HA LYS A 107 0.200 7.215 21.827 1.00 10.81 H new ATOM 0 HB2 LYS A 107 -1.844 5.972 23.338 1.00 12.94 H new ATOM 0 HB3 LYS A 107 -1.207 5.336 22.065 1.00 12.94 H new ATOM 0 HG2 LYS A 107 0.814 5.017 23.131 1.00 19.61 H new ATOM 0 HG3 LYS A 107 0.387 5.913 24.334 1.00 19.61 H new ATOM 0 HD2 LYS A 107 -1.337 4.232 24.798 1.00 36.08 H new ATOM 0 HD3 LYS A 107 -0.590 3.312 23.785 1.00 36.08 H new ATOM 0 HE2 LYS A 107 0.792 2.695 25.341 1.00 51.27 H new ATOM 0 HE3 LYS A 107 1.271 4.169 25.514 1.00 51.27 H new ATOM 0 HZ1 LYS A 107 0.424 3.388 27.486 1.00 56.75 H new ATOM 0 HZ2 LYS A 107 -0.420 4.483 27.039 1.00 56.75 H new ATOM 0 HZ3 LYS A 107 -0.866 3.110 26.879 1.00 56.75 H new ATOM 839 N ILE A 108 -1.614 9.187 21.150 1.00 8.41 N ATOM 840 CA ILE A 108 -2.474 9.864 20.179 1.00 10.47 C ATOM 841 C ILE A 108 -1.700 9.995 18.869 1.00 7.53 C ATOM 842 O ILE A 108 -0.630 10.628 18.859 1.00 7.80 O ATOM 843 CB ILE A 108 -2.930 11.239 20.689 1.00 7.98 C ATOM 844 CG1 ILE A 108 -3.804 11.078 21.942 1.00 9.10 C ATOM 845 CG2 ILE A 108 -3.710 11.959 19.588 1.00 5.87 C ATOM 846 CD1 ILE A 108 -3.981 12.342 22.773 1.00 8.57 C ATOM 0 H ILE A 108 -1.072 9.713 21.561 1.00 8.41 H new ATOM 0 HA ILE A 108 -3.279 9.341 20.040 1.00 10.47 H new ATOM 0 HB ILE A 108 -2.151 11.766 20.924 1.00 7.98 H new ATOM 0 HG12 ILE A 108 -4.680 10.761 21.670 1.00 9.10 H new ATOM 0 HG13 ILE A 108 -3.415 10.390 22.504 1.00 9.10 H new ATOM 0 HG21 ILE A 108 -3.998 12.827 19.910 1.00 5.87 H new ATOM 0 HG22 ILE A 108 -3.141 12.075 18.811 1.00 5.87 H new ATOM 0 HG23 ILE A 108 -4.486 11.432 19.343 1.00 5.87 H new ATOM 0 HD11 ILE A 108 -4.543 12.149 23.540 1.00 8.57 H new ATOM 0 HD12 ILE A 108 -3.114 12.653 23.078 1.00 8.57 H new ATOM 0 HD13 ILE A 108 -4.398 13.030 22.231 1.00 8.57 H new ATOM 847 N PRO A 109 -2.179 9.411 17.758 1.00 6.26 N ATOM 848 CA PRO A 109 -1.476 9.561 16.473 1.00 8.75 C ATOM 849 C PRO A 109 -1.377 11.027 16.074 1.00 6.36 C ATOM 850 O PRO A 109 -2.226 11.839 16.441 1.00 7.04 O ATOM 851 CB PRO A 109 -2.358 8.784 15.488 1.00 10.71 C ATOM 852 CG PRO A 109 -3.088 7.791 16.340 1.00 11.84 C ATOM 853 CD PRO A 109 -3.341 8.508 17.650 1.00 7.39 C ATOM 0 HA PRO A 109 -0.563 9.234 16.502 1.00 8.75 H new ATOM 0 HB2 PRO A 109 -2.974 9.373 15.025 1.00 10.71 H new ATOM 0 HB3 PRO A 109 -1.824 8.342 14.809 1.00 10.71 H new ATOM 0 HG2 PRO A 109 -3.920 7.516 15.924 1.00 11.84 H new ATOM 0 HG3 PRO A 109 -2.560 6.989 16.475 1.00 11.84 H new ATOM 0 HD2 PRO A 109 -4.178 8.998 17.636 1.00 7.39 H new ATOM 0 HD3 PRO A 109 -3.387 7.890 18.396 1.00 7.39 H new ATOM 854 N ILE A 110 -0.336 11.349 15.307 1.00 7.91 N ATOM 855 CA ILE A 110 0.030 12.732 15.004 1.00 6.51 C ATOM 856 C ILE A 110 0.090 12.929 13.499 1.00 7.33 C ATOM 857 O ILE A 110 0.716 12.136 12.788 1.00 10.25 O ATOM 858 CB ILE A 110 1.391 13.111 15.617 1.00 6.45 C ATOM 859 CG1 ILE A 110 1.380 12.945 17.142 1.00 7.25 C ATOM 860 CG2 ILE A 110 1.769 14.539 15.234 1.00 7.53 C ATOM 861 CD1 ILE A 110 2.779 12.986 17.766 1.00 10.69 C ATOM 0 H ILE A 110 0.182 10.766 14.945 1.00 7.91 H new ATOM 0 HA ILE A 110 -0.648 13.306 15.393 1.00 6.51 H new ATOM 0 HB ILE A 110 2.060 12.507 15.258 1.00 6.45 H new ATOM 0 HG12 ILE A 110 0.837 13.647 17.534 1.00 7.25 H new ATOM 0 HG13 ILE A 110 0.957 12.101 17.366 1.00 7.25 H new ATOM 0 HG21 ILE A 110 2.627 14.763 15.627 1.00 7.53 H new ATOM 0 HG22 ILE A 110 1.827 14.611 14.268 1.00 7.53 H new ATOM 0 HG23 ILE A 110 1.093 15.152 15.563 1.00 7.53 H new ATOM 0 HD11 ILE A 110 2.708 12.876 18.727 1.00 10.69 H new ATOM 0 HD12 ILE A 110 3.319 12.269 17.398 1.00 10.69 H new ATOM 0 HD13 ILE A 110 3.197 13.839 17.568 1.00 10.69 H new ATOM 862 N LEU A 111 -0.521 14.010 13.027 1.00 4.94 N ATOM 863 CA LEU A 111 -0.269 14.546 11.692 1.00 7.04 C ATOM 864 C LEU A 111 0.339 15.933 11.858 1.00 5.90 C ATOM 865 O LEU A 111 -0.283 16.821 12.454 1.00 5.63 O ATOM 866 CB LEU A 111 -1.558 14.618 10.865 1.00 6.97 C ATOM 867 CG LEU A 111 -1.432 15.265 9.476 1.00 7.18 C ATOM 868 CD1 LEU A 111 -0.475 14.487 8.579 1.00 8.54 C ATOM 869 CD2 LEU A 111 -2.804 15.390 8.829 1.00 9.69 C ATOM 0 H LEU A 111 -1.100 14.459 13.477 1.00 4.94 H new ATOM 0 HA LEU A 111 0.339 13.961 11.213 1.00 7.04 H new ATOM 0 HB2 LEU A 111 -1.900 13.717 10.753 1.00 6.97 H new ATOM 0 HB3 LEU A 111 -2.220 15.112 11.373 1.00 6.97 H new ATOM 0 HG LEU A 111 -1.060 16.153 9.591 1.00 7.18 H new ATOM 0 HD11 LEU A 111 -0.418 14.920 7.713 1.00 8.54 H new ATOM 0 HD12 LEU A 111 0.405 14.464 8.987 1.00 8.54 H new ATOM 0 HD13 LEU A 111 -0.802 13.581 8.466 1.00 8.54 H new ATOM 0 HD21 LEU A 111 -2.713 15.799 7.954 1.00 9.69 H new ATOM 0 HD22 LEU A 111 -3.199 14.509 8.734 1.00 9.69 H new ATOM 0 HD23 LEU A 111 -3.375 15.942 9.386 1.00 9.69 H new ATOM 870 N LEU A 112 1.550 16.121 11.337 1.00 5.92 N ATOM 871 CA LEU A 112 2.272 17.378 11.489 1.00 5.10 C ATOM 872 C LEU A 112 2.128 18.196 10.212 1.00 4.74 C ATOM 873 O LEU A 112 2.381 17.687 9.114 1.00 6.43 O ATOM 874 CB LEU A 112 3.752 17.112 11.798 1.00 6.80 C ATOM 875 CG LEU A 112 4.599 18.329 12.174 1.00 7.31 C ATOM 876 CD1 LEU A 112 4.103 18.918 13.492 1.00 9.63 C ATOM 877 CD2 LEU A 112 6.081 17.924 12.288 1.00 10.46 C ATOM 0 H LEU A 112 1.974 15.523 10.887 1.00 5.92 H new ATOM 0 HA LEU A 112 1.897 17.877 12.231 1.00 5.10 H new ATOM 0 HB2 LEU A 112 3.800 16.472 12.525 1.00 6.80 H new ATOM 0 HB3 LEU A 112 4.153 16.691 11.022 1.00 6.80 H new ATOM 0 HG LEU A 112 4.516 19.003 11.481 1.00 7.31 H new ATOM 0 HD11 LEU A 112 4.643 19.689 13.726 1.00 9.63 H new ATOM 0 HD12 LEU A 112 3.177 19.190 13.397 1.00 9.63 H new ATOM 0 HD13 LEU A 112 4.174 18.250 14.192 1.00 9.63 H new ATOM 0 HD21 LEU A 112 6.611 18.700 12.526 1.00 10.46 H new ATOM 0 HD22 LEU A 112 6.179 17.243 12.972 1.00 10.46 H new ATOM 0 HD23 LEU A 112 6.387 17.573 11.437 1.00 10.46 H new ATOM 878 N MET A 113 1.692 19.451 10.350 1.00 5.82 N ATOM 879 CA MET A 113 1.535 20.347 9.202 1.00 7.06 C ATOM 880 C MET A 113 2.821 21.154 9.038 1.00 6.61 C ATOM 881 O MET A 113 3.144 21.999 9.880 1.00 8.88 O ATOM 882 CB MET A 113 0.333 21.277 9.384 1.00 5.37 C ATOM 883 CG MET A 113 -1.027 20.573 9.394 1.00 8.77 C ATOM 884 SD MET A 113 -1.238 19.494 7.961 1.00 10.64 S ATOM 885 CE MET A 113 -3.043 19.395 7.863 1.00 10.63 C ATOM 0 H MET A 113 1.481 19.804 11.105 1.00 5.82 H new ATOM 0 HA MET A 113 1.370 19.821 8.404 1.00 7.06 H new ATOM 0 HB2 MET A 113 0.438 21.762 10.217 1.00 5.37 H new ATOM 0 HB3 MET A 113 0.338 21.934 8.671 1.00 5.37 H new ATOM 0 HG2 MET A 113 -1.115 20.051 10.207 1.00 8.77 H new ATOM 0 HG3 MET A 113 -1.734 21.237 9.405 1.00 8.77 H new ATOM 0 HE1 MET A 113 -3.311 18.470 7.750 1.00 10.63 H new ATOM 0 HE2 MET A 113 -3.431 19.746 8.680 1.00 10.63 H new ATOM 0 HE3 MET A 113 -3.355 19.917 7.107 1.00 10.63 H new ATOM 886 N GLY A 114 3.541 20.909 7.948 1.00 5.79 N ATOM 887 CA GLY A 114 4.827 21.568 7.750 1.00 6.67 C ATOM 888 C GLY A 114 4.658 23.037 7.397 1.00 8.56 C ATOM 889 O GLY A 114 3.835 23.402 6.546 1.00 8.21 O ATOM 0 H GLY A 114 3.307 20.372 7.319 1.00 5.79 H new ATOM 0 HA2 GLY A 114 5.359 21.488 8.557 1.00 6.67 H new ATOM 0 HA3 GLY A 114 5.315 21.119 7.042 1.00 6.67 H new ATOM 890 N MET A 115 5.446 23.892 8.045 1.00 4.81 N ATOM 891 CA MET A 115 5.474 25.315 7.747 1.00 7.48 C ATOM 892 C MET A 115 6.762 25.643 7.005 1.00 6.77 C ATOM 893 O MET A 115 7.766 24.934 7.131 1.00 6.98 O ATOM 894 CB MET A 115 5.375 26.154 9.029 1.00 8.63 C ATOM 895 CG MET A 115 4.208 25.760 9.932 1.00 10.80 C ATOM 896 SD MET A 115 2.607 25.909 9.103 1.00 12.96 S ATOM 897 CE MET A 115 2.604 27.633 8.682 1.00 13.79 C ATOM 0 H MET A 115 5.983 23.657 8.675 1.00 4.81 H new ATOM 0 HA MET A 115 4.709 25.533 7.192 1.00 7.48 H new ATOM 0 HB2 MET A 115 6.203 26.067 9.527 1.00 8.63 H new ATOM 0 HB3 MET A 115 5.286 27.089 8.788 1.00 8.63 H new ATOM 0 HG2 MET A 115 4.330 24.845 10.232 1.00 10.80 H new ATOM 0 HG3 MET A 115 4.212 26.321 10.724 1.00 10.80 H new ATOM 0 HE1 MET A 115 1.719 27.891 8.380 1.00 13.79 H new ATOM 0 HE2 MET A 115 2.845 28.157 9.462 1.00 13.79 H new ATOM 0 HE3 MET A 115 3.246 27.794 7.973 1.00 13.79 H new ATOM 898 N ARG A 116 6.726 26.707 6.211 1.00 8.38 N ATOM 899 CA ARG A 116 7.875 27.095 5.400 1.00 7.18 C ATOM 900 C ARG A 116 8.161 28.578 5.588 1.00 9.28 C ATOM 901 O ARG A 116 7.235 29.393 5.677 1.00 13.05 O ATOM 902 CB ARG A 116 7.632 26.786 3.909 1.00 8.54 C ATOM 903 CG ARG A 116 7.507 25.300 3.608 1.00 8.75 C ATOM 904 CD ARG A 116 8.879 24.632 3.613 1.00 12.03 C ATOM 905 NE ARG A 116 8.774 23.200 3.342 1.00 10.39 N ATOM 906 CZ ARG A 116 8.593 22.681 2.133 1.00 14.99 C ATOM 907 NH1 ARG A 116 8.499 23.475 1.065 1.00 16.82 N ATOM 908 NH2 ARG A 116 8.500 21.369 1.989 1.00 12.40 N ATOM 0 H ARG A 116 6.042 27.221 6.127 1.00 8.38 H new ATOM 0 HA ARG A 116 8.643 26.580 5.692 1.00 7.18 H new ATOM 0 HB2 ARG A 116 6.822 27.236 3.621 1.00 8.54 H new ATOM 0 HB3 ARG A 116 8.362 27.154 3.387 1.00 8.54 H new ATOM 0 HG2 ARG A 116 6.934 24.879 4.268 1.00 8.75 H new ATOM 0 HG3 ARG A 116 7.084 25.175 2.744 1.00 8.75 H new ATOM 0 HD2 ARG A 116 9.446 25.049 2.946 1.00 12.03 H new ATOM 0 HD3 ARG A 116 9.305 24.770 4.473 1.00 12.03 H new ATOM 0 HE ARG A 116 8.833 22.659 4.008 1.00 10.39 H new ATOM 0 HH11 ARG A 116 8.556 24.328 1.157 1.00 16.82 H new ATOM 0 HH12 ARG A 116 8.382 23.134 0.284 1.00 16.82 H new ATOM 0 HH21 ARG A 116 8.557 20.856 2.677 1.00 12.40 H new ATOM 0 HH22 ARG A 116 8.383 21.029 1.208 1.00 12.40 H new ATOM 909 N ALA A 117 9.450 28.931 5.623 1.00 8.57 N ATOM 910 CA ALA A 117 9.812 30.323 5.886 1.00 8.10 C ATOM 911 C ALA A 117 9.896 31.123 4.588 1.00 11.78 C ATOM 912 O ALA A 117 10.361 30.612 3.570 1.00 11.07 O ATOM 913 CB ALA A 117 11.163 30.402 6.605 1.00 10.41 C ATOM 0 H ALA A 117 10.111 28.395 5.501 1.00 8.57 H new ATOM 0 HA ALA A 117 9.119 30.702 6.450 1.00 8.10 H new ATOM 0 HB1 ALA A 117 11.387 31.331 6.771 1.00 10.41 H new ATOM 0 HB2 ALA A 117 11.109 29.927 7.449 1.00 10.41 H new ATOM 0 HB3 ALA A 117 11.849 29.998 6.050 1.00 10.41 H new ATOM 914 N PRO A 118 9.478 32.386 4.600 1.00 13.29 N ATOM 915 CA PRO A 118 9.638 33.230 3.421 1.00 16.13 C ATOM 916 C PRO A 118 11.079 33.691 3.288 1.00 14.93 C ATOM 917 O PRO A 118 11.865 33.594 4.244 1.00 14.53 O ATOM 918 CB PRO A 118 8.692 34.407 3.709 1.00 18.93 C ATOM 919 CG PRO A 118 8.727 34.529 5.184 1.00 22.15 C ATOM 920 CD PRO A 118 8.830 33.104 5.710 1.00 19.51 C ATOM 0 HA PRO A 118 9.432 32.779 2.587 1.00 16.13 H new ATOM 0 HB2 PRO A 118 8.994 35.221 3.276 1.00 18.93 H new ATOM 0 HB3 PRO A 118 7.794 34.230 3.387 1.00 18.93 H new ATOM 0 HG2 PRO A 118 9.484 35.063 5.472 1.00 22.15 H new ATOM 0 HG3 PRO A 118 7.928 34.967 5.517 1.00 22.15 H new ATOM 0 HD2 PRO A 118 9.357 33.059 6.523 1.00 19.51 H new ATOM 0 HD3 PRO A 118 7.958 32.734 5.916 1.00 19.51 H new ATOM 921 N PRO A 119 11.470 34.195 2.116 1.00 16.15 N ATOM 922 CA PRO A 119 12.877 34.577 1.909 1.00 14.81 C ATOM 923 C PRO A 119 13.332 35.786 2.714 1.00 17.48 C ATOM 924 O PRO A 119 14.549 36.010 2.816 1.00 11.62 O ATOM 925 CB PRO A 119 12.942 34.876 0.402 1.00 19.14 C ATOM 926 CG PRO A 119 11.720 34.218 -0.185 1.00 25.78 C ATOM 927 CD PRO A 119 10.681 34.313 0.877 1.00 23.54 C ATOM 0 HA PRO A 119 13.471 33.872 2.209 1.00 14.81 H new ATOM 0 HB2 PRO A 119 12.940 35.831 0.234 1.00 19.14 H new ATOM 0 HB3 PRO A 119 13.754 34.520 0.009 1.00 19.14 H new ATOM 0 HG2 PRO A 119 11.435 34.667 -0.996 1.00 25.78 H new ATOM 0 HG3 PRO A 119 11.898 33.294 -0.420 1.00 25.78 H new ATOM 0 HD2 PRO A 119 10.200 35.154 0.835 1.00 23.54 H new ATOM 0 HD3 PRO A 119 10.022 33.605 0.801 1.00 23.54 H new ATOM 928 N AASN A 120 12.420 36.571 3.295 0.39 13.25 N ATOM 929 N BASN A 120 12.400 36.557 3.287 0.61 13.15 N ATOM 930 CA AASN A 120 12.852 37.798 3.957 0.39 17.71 C ATOM 931 CA BASN A 120 12.760 37.777 4.004 0.61 17.76 C ATOM 932 C AASN A 120 13.667 37.531 5.217 0.39 15.73 C ATOM 933 C BASN A 120 13.715 37.498 5.154 0.61 15.70 C ATOM 934 O AASN A 120 14.335 38.446 5.710 0.39 16.32 O ATOM 935 O BASN A 120 14.529 38.358 5.507 0.61 16.29 O ATOM 936 CB AASN A 120 11.649 38.695 4.279 0.39 20.90 C ATOM 937 CB BASN A 120 11.495 38.466 4.527 0.61 19.41 C ATOM 938 CG AASN A 120 10.629 38.026 5.183 0.39 20.49 C ATOM 939 CG BASN A 120 11.759 39.876 5.031 0.61 29.08 C ATOM 940 OD1AASN A 120 10.956 37.530 6.263 0.39 28.89 O ATOM 941 OD1BASN A 120 12.301 40.716 4.309 0.61 18.31 O ATOM 942 ND2AASN A 120 9.373 38.037 4.754 0.39 21.98 N ATOM 943 ND2BASN A 120 11.371 40.143 6.278 0.61 24.18 N ATOM 0 H AASN A 120 11.574 36.416 3.316 0.39 13.15 H new ATOM 0 H BASN A 120 11.557 36.388 3.270 0.61 13.15 H new ATOM 0 HA AASN A 120 13.435 38.259 3.334 0.39 17.76 H new ATOM 0 HA BASN A 120 13.217 38.363 3.380 0.61 17.76 H new ATOM 0 HB2AASN A 120 11.964 39.509 4.703 0.39 19.41 H new ATOM 0 HB2BASN A 120 10.833 38.499 3.819 0.61 19.41 H new ATOM 0 HB3AASN A 120 11.217 38.956 3.451 0.39 19.41 H new ATOM 0 HB3BASN A 120 11.116 37.936 5.245 0.61 19.41 H new ATOM 0 HD21AASN A 120 8.751 37.689 5.235 0.39 24.18 H new ATOM 0 HD21BASN A 120 11.496 40.927 6.609 0.61 24.18 H new ATOM 0 HD22AASN A 120 9.181 38.392 3.995 0.39 24.18 H new ATOM 0 HD22BASN A 120 10.996 39.531 6.752 0.61 24.18 H new ATOM 944 N LEU A 121 13.634 36.306 5.746 1.00 17.26 N ATOM 945 CA LEU A 121 14.478 35.946 6.876 1.00 22.57 C ATOM 946 C LEU A 121 15.879 35.522 6.453 1.00 14.52 C ATOM 947 O LEU A 121 16.744 35.348 7.316 1.00 14.67 O ATOM 948 CB LEU A 121 13.815 34.821 7.676 1.00 28.19 C ATOM 949 CG LEU A 121 12.601 35.252 8.500 1.00 28.39 C ATOM 950 CD1 LEU A 121 11.586 34.131 8.567 1.00 31.06 C ATOM 951 CD2 LEU A 121 13.031 35.681 9.893 1.00 22.28 C ATOM 0 H ALEU A 121 13.128 35.672 5.462 0.39 17.26 H new ATOM 0 H BLEU A 121 13.089 35.687 5.502 0.61 17.26 H new ATOM 0 HA LEU A 121 14.575 36.739 7.426 1.00 22.57 H new ATOM 0 HB2 LEU A 121 13.542 34.122 7.062 1.00 28.19 H new ATOM 0 HB3 LEU A 121 14.474 34.433 8.273 1.00 28.19 H new ATOM 0 HG LEU A 121 12.183 36.013 8.066 1.00 28.39 H new ATOM 0 HD11 LEU A 121 10.822 34.417 9.092 1.00 31.06 H new ATOM 0 HD12 LEU A 121 11.295 33.904 7.670 1.00 31.06 H new ATOM 0 HD13 LEU A 121 11.990 33.353 8.982 1.00 31.06 H new ATOM 0 HD21 LEU A 121 12.252 35.951 10.404 1.00 22.28 H new ATOM 0 HD22 LEU A 121 13.468 34.939 10.340 1.00 22.28 H new ATOM 0 HD23 LEU A 121 13.648 36.427 9.826 1.00 22.28 H new ATOM 952 N GLY A 122 16.119 35.366 5.160 1.00 12.49 N ATOM 953 CA GLY A 122 17.408 34.950 4.653 1.00 13.41 C ATOM 954 C GLY A 122 17.527 33.438 4.557 1.00 13.05 C ATOM 955 O GLY A 122 16.823 32.685 5.222 1.00 9.72 O ATOM 0 H GLY A 122 15.530 35.501 4.548 1.00 12.49 H new ATOM 0 HA2 GLY A 122 17.550 35.340 3.776 1.00 13.41 H new ATOM 0 HA3 GLY A 122 18.107 35.292 5.232 1.00 13.41 H new ATOM 956 N ALA A 123 18.477 32.995 3.725 1.00 8.24 N ATOM 957 CA ALA A 123 18.563 31.574 3.393 1.00 7.31 C ATOM 958 C ALA A 123 19.007 30.736 4.590 1.00 10.12 C ATOM 959 O ALA A 123 18.541 29.608 4.768 1.00 9.21 O ATOM 960 CB ALA A 123 19.514 31.374 2.205 1.00 7.46 C ATOM 0 H ALA A 123 19.069 33.493 3.350 1.00 8.24 H new ATOM 0 HA ALA A 123 17.676 31.269 3.146 1.00 7.31 H new ATOM 0 HB1 ALA A 123 19.568 30.430 1.989 1.00 7.46 H new ATOM 0 HB2 ALA A 123 19.180 31.863 1.437 1.00 7.46 H new ATOM 0 HB3 ALA A 123 20.396 31.703 2.438 1.00 7.46 H new ATOM 961 N LYS A 124 19.916 31.261 5.415 1.00 7.73 N ATOM 962 CA LYS A 124 20.384 30.498 6.571 1.00 6.23 C ATOM 963 C LYS A 124 19.231 30.187 7.524 1.00 9.33 C ATOM 964 O LYS A 124 19.029 29.033 7.926 1.00 7.94 O ATOM 965 CB LYS A 124 21.487 31.272 7.287 1.00 8.36 C ATOM 966 CG LYS A 124 22.100 30.537 8.480 1.00 12.06 C ATOM 967 CD LYS A 124 23.293 31.303 9.020 1.00 14.42 C ATOM 968 CE LYS A 124 23.887 30.638 10.254 1.00 16.90 C ATOM 969 NZ LYS A 124 25.226 31.232 10.576 1.00 21.00 N ATOM 0 H LYS A 124 20.267 32.041 5.325 1.00 7.73 H new ATOM 0 HA LYS A 124 20.744 29.652 6.261 1.00 6.23 H new ATOM 0 HB2 LYS A 124 22.190 31.476 6.650 1.00 8.36 H new ATOM 0 HB3 LYS A 124 21.127 32.119 7.593 1.00 8.36 H new ATOM 0 HG2 LYS A 124 21.435 30.430 9.178 1.00 12.06 H new ATOM 0 HG3 LYS A 124 22.375 29.646 8.212 1.00 12.06 H new ATOM 0 HD2 LYS A 124 23.972 31.370 8.331 1.00 14.42 H new ATOM 0 HD3 LYS A 124 23.022 32.208 9.240 1.00 14.42 H new ATOM 0 HE2 LYS A 124 23.288 30.749 11.008 1.00 16.90 H new ATOM 0 HE3 LYS A 124 23.978 29.684 10.102 1.00 16.90 H new ATOM 0 HZ1 LYS A 124 25.561 30.835 11.298 1.00 21.00 H new ATOM 0 HZ2 LYS A 124 25.778 31.111 9.888 1.00 21.00 H new ATOM 0 HZ3 LYS A 124 25.135 32.103 10.733 1.00 21.00 H new ATOM 970 N TYR A 125 18.466 31.215 7.894 1.00 9.13 N ATOM 971 CA TYR A 125 17.298 31.015 8.748 1.00 7.62 C ATOM 972 C TYR A 125 16.271 30.126 8.060 1.00 6.90 C ATOM 973 O TYR A 125 15.732 29.192 8.666 1.00 7.62 O ATOM 974 CB TYR A 125 16.682 32.368 9.099 1.00 6.32 C ATOM 975 CG TYR A 125 15.507 32.289 10.065 1.00 8.49 C ATOM 976 CD1 TYR A 125 14.256 31.870 9.636 1.00 10.99 C ATOM 977 CD2 TYR A 125 15.653 32.638 11.403 1.00 8.87 C ATOM 978 CE1 TYR A 125 13.193 31.786 10.515 1.00 9.73 C ATOM 979 CE2 TYR A 125 14.579 32.576 12.285 1.00 6.69 C ATOM 980 CZ TYR A 125 13.356 32.150 11.835 1.00 7.69 C ATOM 981 OH TYR A 125 12.282 32.073 12.701 1.00 8.11 O ATOM 0 H TYR A 125 18.606 32.031 7.662 1.00 9.13 H new ATOM 0 HA TYR A 125 17.579 30.571 9.564 1.00 7.62 H new ATOM 0 HB2 TYR A 125 17.368 32.933 9.486 1.00 6.32 H new ATOM 0 HB3 TYR A 125 16.387 32.799 8.282 1.00 6.32 H new ATOM 0 HD1 TYR A 125 14.131 31.642 8.743 1.00 10.99 H new ATOM 0 HD2 TYR A 125 16.484 32.918 11.714 1.00 8.87 H new ATOM 0 HE1 TYR A 125 12.366 31.483 10.216 1.00 9.73 H new ATOM 0 HE2 TYR A 125 14.690 32.822 13.175 1.00 6.69 H new ATOM 0 HH TYR A 125 12.562 32.013 13.491 1.00 8.11 H new ATOM 982 N GLN A 126 15.988 30.404 6.786 1.00 7.08 N ATOM 983 CA GLN A 126 14.941 29.654 6.095 1.00 9.09 C ATOM 984 C GLN A 126 15.274 28.168 6.016 1.00 9.18 C ATOM 985 O GLN A 126 14.402 27.316 6.239 1.00 9.73 O ATOM 986 CB GLN A 126 14.706 30.244 4.702 1.00 8.89 C ATOM 987 CG GLN A 126 13.960 29.305 3.754 1.00 10.43 C ATOM 988 CD GLN A 126 14.913 28.473 2.921 1.00 11.49 C ATOM 989 OE1 GLN A 126 15.918 28.983 2.409 1.00 12.11 O ATOM 990 NE2 GLN A 126 14.627 27.182 2.808 1.00 9.90 N ATOM 0 H GLN A 126 16.380 31.007 6.315 1.00 7.08 H new ATOM 0 HA GLN A 126 14.122 29.734 6.608 1.00 9.09 H new ATOM 0 HB2 GLN A 126 14.203 31.069 4.790 1.00 8.89 H new ATOM 0 HB3 GLN A 126 15.562 30.474 4.309 1.00 8.89 H new ATOM 0 HG2 GLN A 126 13.383 28.719 4.268 1.00 10.43 H new ATOM 0 HG3 GLN A 126 13.388 29.825 3.168 1.00 10.43 H new ATOM 0 HE21 GLN A 126 13.919 26.864 3.178 1.00 9.90 H new ATOM 0 HE22 GLN A 126 15.150 26.663 2.364 1.00 9.90 H new ATOM 991 N ARG A 127 16.530 27.823 5.717 1.00 5.88 N ATOM 992 CA ARG A 127 16.878 26.406 5.646 1.00 5.90 C ATOM 993 C ARG A 127 16.731 25.746 7.010 1.00 8.30 C ATOM 994 O ARG A 127 16.197 24.631 7.119 1.00 7.69 O ATOM 995 CB ARG A 127 18.304 26.227 5.121 1.00 7.87 C ATOM 996 CG ARG A 127 18.466 26.476 3.627 1.00 13.53 C ATOM 997 CD ARG A 127 19.913 26.186 3.199 1.00 15.35 C ATOM 998 NE ARG A 127 20.868 27.091 3.834 1.00 12.57 N ATOM 999 CZ ARG A 127 21.532 28.045 3.194 1.00 20.86 C ATOM 1000 NH1 ARG A 127 21.353 28.219 1.888 1.00 18.50 N ATOM 1001 NH2 ARG A 127 22.373 28.827 3.857 1.00 15.69 N ATOM 0 H ARG A 127 17.172 28.373 5.558 1.00 5.88 H new ATOM 0 HA ARG A 127 16.265 25.976 5.029 1.00 5.90 H new ATOM 0 HB2 ARG A 127 18.891 26.830 5.603 1.00 7.87 H new ATOM 0 HB3 ARG A 127 18.598 25.325 5.320 1.00 7.87 H new ATOM 0 HG2 ARG A 127 17.854 25.911 3.129 1.00 13.53 H new ATOM 0 HG3 ARG A 127 18.237 27.395 3.418 1.00 13.53 H new ATOM 0 HD2 ARG A 127 20.138 25.270 3.425 1.00 15.35 H new ATOM 0 HD3 ARG A 127 19.986 26.266 2.235 1.00 15.35 H new ATOM 0 HE ARG A 127 21.009 26.999 4.677 1.00 12.57 H new ATOM 0 HH11 ARG A 127 20.807 27.713 1.458 1.00 18.50 H new ATOM 0 HH12 ARG A 127 21.784 28.837 1.474 1.00 18.50 H new ATOM 0 HH21 ARG A 127 22.488 28.716 4.702 1.00 15.69 H new ATOM 0 HH22 ARG A 127 22.803 29.445 3.442 1.00 15.69 H new ATOM 1002 N GLU A 128 17.178 26.434 8.067 1.00 7.28 N ATOM 1003 CA GLU A 128 17.102 25.869 9.411 1.00 7.00 C ATOM 1004 C GLU A 128 15.654 25.668 9.825 1.00 7.14 C ATOM 1005 O GLU A 128 15.278 24.605 10.337 1.00 6.38 O ATOM 1006 CB GLU A 128 17.835 26.779 10.406 1.00 8.05 C ATOM 1007 CG GLU A 128 18.065 26.108 11.744 1.00 11.31 C ATOM 1008 CD GLU A 128 18.679 27.031 12.787 1.00 14.79 C ATOM 1009 OE1 GLU A 128 19.093 28.158 12.438 1.00 12.68 O ATOM 1010 OE2 GLU A 128 18.722 26.614 13.962 1.00 18.41 O ATOM 0 H GLU A 128 17.524 27.220 8.024 1.00 7.28 H new ATOM 0 HA GLU A 128 17.535 25.001 9.411 1.00 7.00 H new ATOM 0 HB2 GLU A 128 18.689 27.044 10.029 1.00 8.05 H new ATOM 0 HB3 GLU A 128 17.320 27.590 10.538 1.00 8.05 H new ATOM 0 HG2 GLU A 128 17.219 25.771 12.078 1.00 11.31 H new ATOM 0 HG3 GLU A 128 18.646 25.342 11.618 1.00 11.31 H new ATOM 1011 N PHE A 129 14.816 26.676 9.582 1.00 5.99 N ATOM 1012 CA PHE A 129 13.425 26.576 10.000 1.00 5.76 C ATOM 1013 C PHE A 129 12.697 25.482 9.231 1.00 6.79 C ATOM 1014 O PHE A 129 11.996 24.657 9.826 1.00 6.73 O ATOM 1015 CB PHE A 129 12.714 27.915 9.819 1.00 8.29 C ATOM 1016 CG PHE A 129 11.256 27.843 10.134 1.00 18.13 C ATOM 1017 CD1 PHE A 129 10.826 27.980 11.438 1.00 18.06 C ATOM 1018 CD2 PHE A 129 10.314 27.585 9.133 1.00 18.83 C ATOM 1019 CE1 PHE A 129 9.487 27.886 11.754 1.00 18.58 C ATOM 1020 CE2 PHE A 129 8.967 27.490 9.443 1.00 15.87 C ATOM 1021 CZ PHE A 129 8.557 27.642 10.759 1.00 19.06 C ATOM 0 H PHE A 129 15.029 27.409 9.186 1.00 5.99 H new ATOM 0 HA PHE A 129 13.413 26.341 10.941 1.00 5.76 H new ATOM 0 HB2 PHE A 129 13.132 28.578 10.390 1.00 8.29 H new ATOM 0 HB3 PHE A 129 12.829 28.216 8.904 1.00 8.29 H new ATOM 0 HD1 PHE A 129 11.447 28.138 12.112 1.00 18.06 H new ATOM 0 HD2 PHE A 129 10.594 27.476 8.253 1.00 18.83 H new ATOM 0 HE1 PHE A 129 9.209 27.987 12.636 1.00 18.58 H new ATOM 0 HE2 PHE A 129 8.343 27.326 8.774 1.00 15.87 H new ATOM 0 HZ PHE A 129 7.654 27.580 10.973 1.00 19.06 H new ATOM 1022 N ASP A 130 12.840 25.468 7.899 1.00 5.84 N ATOM 1023 CA ASP A 130 12.103 24.500 7.090 1.00 5.78 C ATOM 1024 C ASP A 130 12.435 23.073 7.514 1.00 7.37 C ATOM 1025 O ASP A 130 11.565 22.192 7.510 1.00 6.93 O ATOM 1026 CB ASP A 130 12.421 24.695 5.603 1.00 4.14 C ATOM 1027 CG ASP A 130 11.796 25.965 5.015 1.00 8.30 C ATOM 1028 OD1 ASP A 130 11.123 26.709 5.755 1.00 9.10 O ATOM 1029 OD2 ASP A 130 11.989 26.217 3.796 1.00 8.96 O ATOM 0 H ASP A 130 13.349 26.001 7.456 1.00 5.84 H new ATOM 0 HA ASP A 130 11.155 24.649 7.231 1.00 5.78 H new ATOM 0 HB2 ASP A 130 13.383 24.731 5.486 1.00 4.14 H new ATOM 0 HB3 ASP A 130 12.103 23.925 5.106 1.00 4.14 H new ATOM 1030 N GLY A 131 13.685 22.834 7.903 1.00 6.89 N ATOM 1031 CA GLY A 131 14.115 21.481 8.219 1.00 5.43 C ATOM 1032 C GLY A 131 13.586 20.935 9.529 1.00 8.99 C ATOM 1033 O GLY A 131 13.707 19.723 9.768 1.00 6.88 O ATOM 0 H GLY A 131 14.292 23.437 7.989 1.00 6.89 H new ATOM 0 HA2 GLY A 131 13.836 20.891 7.501 1.00 5.43 H new ATOM 0 HA3 GLY A 131 15.084 21.461 8.243 1.00 5.43 H new ATOM 1034 N ILE A 132 12.985 21.774 10.378 1.00 5.64 N ATOM 1035 CA ILE A 132 12.590 21.228 11.672 1.00 7.63 C ATOM 1036 C ILE A 132 11.421 20.268 11.516 1.00 5.49 C ATOM 1037 O ILE A 132 11.288 19.330 12.308 1.00 6.40 O ATOM 1038 CB ILE A 132 12.282 22.326 12.720 1.00 8.34 C ATOM 1039 CG1 ILE A 132 10.973 23.057 12.445 1.00 8.15 C ATOM 1040 CG2 ILE A 132 13.450 23.309 12.853 1.00 7.61 C ATOM 1041 CD1 ILE A 132 10.622 24.064 13.563 1.00 13.79 C ATOM 0 H ILE A 132 12.808 22.604 10.238 1.00 5.64 H new ATOM 0 HA ILE A 132 13.352 20.734 12.014 1.00 7.63 H new ATOM 0 HB ILE A 132 12.169 21.872 13.569 1.00 8.34 H new ATOM 0 HG12 ILE A 132 11.038 23.526 11.598 1.00 8.15 H new ATOM 0 HG13 ILE A 132 10.255 22.410 12.357 1.00 8.15 H new ATOM 0 HG21 ILE A 132 13.231 23.984 13.514 1.00 7.61 H new ATOM 0 HG22 ILE A 132 14.246 22.830 13.132 1.00 7.61 H new ATOM 0 HG23 ILE A 132 13.613 23.736 11.997 1.00 7.61 H new ATOM 0 HD11 ILE A 132 9.785 24.506 13.350 1.00 13.79 H new ATOM 0 HD12 ILE A 132 10.533 23.593 14.406 1.00 13.79 H new ATOM 0 HD13 ILE A 132 11.327 24.726 13.636 1.00 13.79 H new ATOM 1042 N TYR A 133 10.567 20.457 10.486 1.00 6.11 N ATOM 1043 CA TYR A 133 9.361 19.633 10.395 1.00 7.33 C ATOM 1044 C TYR A 133 9.668 18.208 9.945 1.00 8.04 C ATOM 1045 O TYR A 133 9.170 17.265 10.586 1.00 7.41 O ATOM 1046 CB TYR A 133 8.317 20.327 9.507 1.00 6.39 C ATOM 1047 CG TYR A 133 7.860 21.619 10.153 1.00 4.92 C ATOM 1048 CD1 TYR A 133 6.848 21.615 11.106 1.00 5.27 C ATOM 1049 CD2 TYR A 133 8.498 22.824 9.868 1.00 5.82 C ATOM 1050 CE1 TYR A 133 6.439 22.781 11.734 1.00 3.19 C ATOM 1051 CE2 TYR A 133 8.104 24.006 10.510 1.00 5.24 C ATOM 1052 CZ TYR A 133 7.069 23.964 11.435 1.00 7.40 C ATOM 1053 OH TYR A 133 6.665 25.102 12.090 1.00 6.25 O ATOM 0 H TYR A 133 10.669 21.035 9.858 1.00 6.11 H new ATOM 0 HA TYR A 133 8.982 19.545 11.284 1.00 7.33 H new ATOM 0 HB2 TYR A 133 8.696 20.510 8.633 1.00 6.39 H new ATOM 0 HB3 TYR A 133 7.557 19.740 9.369 1.00 6.39 H new ATOM 0 HD1 TYR A 133 6.436 20.811 11.327 1.00 5.27 H new ATOM 0 HD2 TYR A 133 9.190 22.844 9.247 1.00 5.82 H new ATOM 0 HE1 TYR A 133 5.744 22.762 12.352 1.00 3.19 H new ATOM 0 HE2 TYR A 133 8.531 24.810 10.319 1.00 5.24 H new ATOM 0 HH TYR A 133 5.961 24.943 12.520 1.00 6.25 H new ATOM 1054 N PRO A 134 10.464 17.963 8.894 1.00 7.54 N ATOM 1055 CA PRO A 134 10.807 16.561 8.587 1.00 8.09 C ATOM 1056 C PRO A 134 11.561 15.892 9.715 1.00 10.12 C ATOM 1057 O PRO A 134 11.380 14.692 9.947 1.00 9.51 O ATOM 1058 CB PRO A 134 11.678 16.668 7.326 1.00 10.29 C ATOM 1059 CG PRO A 134 11.365 17.997 6.751 1.00 16.92 C ATOM 1060 CD PRO A 134 11.024 18.889 7.897 1.00 7.72 C ATOM 0 HA PRO A 134 10.017 16.013 8.461 1.00 8.09 H new ATOM 0 HB2 PRO A 134 12.620 16.593 7.543 1.00 10.29 H new ATOM 0 HB3 PRO A 134 11.474 15.957 6.698 1.00 10.29 H new ATOM 0 HG2 PRO A 134 12.123 18.346 6.257 1.00 16.92 H new ATOM 0 HG3 PRO A 134 10.624 17.937 6.128 1.00 16.92 H new ATOM 0 HD2 PRO A 134 11.807 19.350 8.237 1.00 7.72 H new ATOM 0 HD3 PRO A 134 10.383 19.570 7.641 1.00 7.72 H new ATOM 1061 N TYR A 135 12.411 16.638 10.419 1.00 6.97 N ATOM 1062 CA TYR A 135 13.115 16.073 11.564 1.00 5.78 C ATOM 1063 C TYR A 135 12.128 15.592 12.617 1.00 10.99 C ATOM 1064 O TYR A 135 12.205 14.449 13.086 1.00 9.58 O ATOM 1065 CB TYR A 135 14.066 17.113 12.153 1.00 8.88 C ATOM 1066 CG TYR A 135 14.679 16.653 13.456 1.00 9.83 C ATOM 1067 CD1 TYR A 135 15.785 15.806 13.467 1.00 19.30 C ATOM 1068 CD2 TYR A 135 14.122 17.023 14.670 1.00 11.40 C ATOM 1069 CE1 TYR A 135 16.336 15.370 14.660 1.00 20.17 C ATOM 1070 CE2 TYR A 135 14.666 16.590 15.868 1.00 19.00 C ATOM 1071 CZ TYR A 135 15.769 15.763 15.851 1.00 21.85 C ATOM 1072 OH TYR A 135 16.309 15.338 17.043 1.00 30.43 O ATOM 0 H TYR A 135 12.591 17.462 10.252 1.00 6.97 H new ATOM 0 HA TYR A 135 13.632 15.308 11.267 1.00 5.78 H new ATOM 0 HB2 TYR A 135 14.771 17.302 11.515 1.00 8.88 H new ATOM 0 HB3 TYR A 135 13.585 17.943 12.299 1.00 8.88 H new ATOM 0 HD1 TYR A 135 16.159 15.529 12.661 1.00 19.30 H new ATOM 0 HD2 TYR A 135 13.371 17.571 14.680 1.00 11.40 H new ATOM 0 HE1 TYR A 135 17.083 14.816 14.657 1.00 20.17 H new ATOM 0 HE2 TYR A 135 14.291 16.855 16.677 1.00 19.00 H new ATOM 0 HH TYR A 135 15.864 15.654 17.681 1.00 30.43 H new ATOM 1073 N LEU A 136 11.182 16.459 12.997 1.00 7.92 N ATOM 1074 CA LEU A 136 10.215 16.101 14.033 1.00 6.12 C ATOM 1075 C LEU A 136 9.334 14.943 13.598 1.00 8.78 C ATOM 1076 O LEU A 136 9.032 14.049 14.395 1.00 8.87 O ATOM 1077 CB LEU A 136 9.350 17.310 14.375 1.00 3.57 C ATOM 1078 CG LEU A 136 10.101 18.456 15.053 1.00 9.93 C ATOM 1079 CD1 LEU A 136 9.200 19.686 15.014 1.00 12.70 C ATOM 1080 CD2 LEU A 136 10.504 18.123 16.484 1.00 14.77 C ATOM 0 H LEU A 136 11.086 17.249 12.670 1.00 7.92 H new ATOM 0 HA LEU A 136 10.710 15.821 14.819 1.00 6.12 H new ATOM 0 HB2 LEU A 136 8.943 17.643 13.560 1.00 3.57 H new ATOM 0 HB3 LEU A 136 8.628 17.023 14.956 1.00 3.57 H new ATOM 0 HG LEU A 136 10.930 18.620 14.576 1.00 9.93 H new ATOM 0 HD11 LEU A 136 9.652 20.432 15.439 1.00 12.70 H new ATOM 0 HD12 LEU A 136 9.000 19.912 14.092 1.00 12.70 H new ATOM 0 HD13 LEU A 136 8.374 19.497 15.486 1.00 12.70 H new ATOM 0 HD21 LEU A 136 10.976 18.877 16.871 1.00 14.77 H new ATOM 0 HD22 LEU A 136 9.710 17.935 17.009 1.00 14.77 H new ATOM 0 HD23 LEU A 136 11.083 17.345 16.485 1.00 14.77 H new ATOM 1081 N ALA A 137 8.897 14.945 12.339 1.00 8.75 N ATOM 1082 CA ALA A 137 8.028 13.870 11.874 1.00 9.80 C ATOM 1083 C ALA A 137 8.732 12.530 11.970 1.00 12.78 C ATOM 1084 O ALA A 137 8.134 11.534 12.398 1.00 15.02 O ATOM 1085 CB ALA A 137 7.572 14.144 10.444 1.00 10.38 C ATOM 0 H ALA A 137 9.087 15.544 11.752 1.00 8.75 H new ATOM 0 HA ALA A 137 7.245 13.836 12.445 1.00 9.80 H new ATOM 0 HB1 ALA A 137 6.995 13.424 10.144 1.00 10.38 H new ATOM 0 HB2 ALA A 137 7.084 14.982 10.415 1.00 10.38 H new ATOM 0 HB3 ALA A 137 8.346 14.201 9.862 1.00 10.38 H new ATOM 1086 N GLU A 138 10.008 12.488 11.594 1.00 11.14 N ATOM 1087 CA GLU A 138 10.756 11.239 11.687 1.00 15.23 C ATOM 1088 C GLU A 138 10.954 10.840 13.140 1.00 17.97 C ATOM 1089 O GLU A 138 10.689 9.695 13.526 1.00 16.18 O ATOM 1090 CB GLU A 138 12.104 11.376 10.983 1.00 17.49 C ATOM 1091 CG GLU A 138 12.929 10.086 10.980 1.00 29.40 C ATOM 1092 CD GLU A 138 12.216 8.938 10.278 1.00 52.70 C ATOM 1093 OE1 GLU A 138 11.541 9.188 9.252 1.00 64.41 O ATOM 1094 OE2 GLU A 138 12.321 7.786 10.757 1.00 54.08 O ATOM 0 H GLU A 138 10.452 13.158 11.288 1.00 11.14 H new ATOM 0 HA GLU A 138 10.245 10.542 11.247 1.00 15.23 H new ATOM 0 HB2 GLU A 138 11.955 11.657 10.067 1.00 17.49 H new ATOM 0 HB3 GLU A 138 12.616 12.077 11.415 1.00 17.49 H new ATOM 0 HG2 GLU A 138 13.779 10.250 10.542 1.00 29.40 H new ATOM 0 HG3 GLU A 138 13.126 9.829 11.895 1.00 29.40 H new ATOM 1095 N LYS A 139 11.395 11.789 13.966 1.00 11.82 N ATOM 1096 CA LYS A 139 11.684 11.487 15.364 1.00 12.78 C ATOM 1097 C LYS A 139 10.465 10.930 16.089 1.00 17.57 C ATOM 1098 O LYS A 139 10.585 9.991 16.887 1.00 15.88 O ATOM 1099 CB LYS A 139 12.207 12.742 16.068 1.00 10.81 C ATOM 1100 CG LYS A 139 12.583 12.485 17.529 1.00 10.41 C ATOM 1101 CD LYS A 139 13.217 13.697 18.182 1.00 19.25 C ATOM 1102 CE LYS A 139 13.497 13.416 19.657 1.00 21.71 C ATOM 1103 NZ LYS A 139 14.351 14.471 20.270 1.00 28.98 N ATOM 0 H LYS A 139 11.532 12.607 13.738 1.00 11.82 H new ATOM 0 HA LYS A 139 12.367 10.799 15.387 1.00 12.78 H new ATOM 0 HB2 LYS A 139 12.983 13.076 15.592 1.00 10.81 H new ATOM 0 HB3 LYS A 139 11.530 13.436 16.029 1.00 10.81 H new ATOM 0 HG2 LYS A 139 11.789 12.231 18.025 1.00 10.41 H new ATOM 0 HG3 LYS A 139 13.198 11.736 17.576 1.00 10.41 H new ATOM 0 HD2 LYS A 139 14.043 13.923 17.727 1.00 19.25 H new ATOM 0 HD3 LYS A 139 12.628 14.463 18.098 1.00 19.25 H new ATOM 0 HE2 LYS A 139 12.658 13.358 20.140 1.00 21.71 H new ATOM 0 HE3 LYS A 139 13.934 12.555 19.745 1.00 21.71 H new ATOM 0 HZ1 LYS A 139 14.272 14.440 21.156 1.00 28.98 H new ATOM 0 HZ2 LYS A 139 15.201 14.334 20.043 1.00 28.98 H new ATOM 0 HZ3 LYS A 139 14.091 15.270 19.978 1.00 28.98 H new ATOM 1104 N TYR A 140 9.283 11.485 15.830 1.00 11.60 N ATOM 1105 CA TYR A 140 8.087 11.124 16.582 1.00 10.79 C ATOM 1106 C TYR A 140 7.143 10.223 15.801 1.00 16.43 C ATOM 1107 O TYR A 140 5.993 10.039 16.221 1.00 19.03 O ATOM 1108 CB TYR A 140 7.369 12.385 17.059 1.00 10.84 C ATOM 1109 CG TYR A 140 8.180 13.064 18.123 1.00 11.26 C ATOM 1110 CD1 TYR A 140 8.210 12.554 19.412 1.00 11.80 C ATOM 1111 CD2 TYR A 140 8.963 14.174 17.832 1.00 8.76 C ATOM 1112 CE1 TYR A 140 8.981 13.147 20.389 1.00 15.23 C ATOM 1113 CE2 TYR A 140 9.734 14.781 18.808 1.00 15.37 C ATOM 1114 CZ TYR A 140 9.737 14.258 20.087 1.00 17.66 C ATOM 1115 OH TYR A 140 10.501 14.850 21.063 1.00 19.90 O ATOM 0 H TYR A 140 9.154 12.076 15.219 1.00 11.60 H new ATOM 0 HA TYR A 140 8.377 10.609 17.351 1.00 10.79 H new ATOM 0 HB2 TYR A 140 7.230 12.989 16.313 1.00 10.84 H new ATOM 0 HB3 TYR A 140 6.493 12.156 17.406 1.00 10.84 H new ATOM 0 HD1 TYR A 140 7.704 11.802 19.620 1.00 11.80 H new ATOM 0 HD2 TYR A 140 8.969 14.515 16.967 1.00 8.76 H new ATOM 0 HE1 TYR A 140 8.991 12.797 21.251 1.00 15.23 H new ATOM 0 HE2 TYR A 140 10.244 15.532 18.605 1.00 15.37 H new ATOM 0 HH TYR A 140 10.608 14.313 21.700 1.00 19.90 H new ATOM 1116 N ASP A 141 7.612 9.643 14.697 1.00 14.09 N ATOM 1117 CA ASP A 141 6.820 8.735 13.868 1.00 19.78 C ATOM 1118 C ASP A 141 5.470 9.354 13.537 1.00 24.51 C ATOM 1119 O ASP A 141 4.415 8.730 13.665 1.00 23.34 O ATOM 1120 CB ASP A 141 6.658 7.372 14.544 1.00 27.63 C ATOM 1121 CG ASP A 141 7.992 6.707 14.830 1.00 37.09 C ATOM 1122 OD1 ASP A 141 8.826 6.626 13.903 1.00 49.31 O ATOM 1123 OD2 ASP A 141 8.211 6.272 15.981 1.00 61.57 O ATOM 0 H ASP A 141 8.411 9.768 14.404 1.00 14.09 H new ATOM 0 HA ASP A 141 7.296 8.591 13.035 1.00 19.78 H new ATOM 0 HB2 ASP A 141 6.169 7.482 15.375 1.00 27.63 H new ATOM 0 HB3 ASP A 141 6.126 6.793 13.976 1.00 27.63 H new ATOM 1124 N ALA A 142 5.513 10.617 13.141 1.00 15.61 N ATOM 1125 CA ALA A 142 4.323 11.351 12.767 1.00 12.46 C ATOM 1126 C ALA A 142 4.219 11.406 11.254 1.00 10.52 C ATOM 1127 O ALA A 142 5.223 11.397 10.539 1.00 13.24 O ATOM 1128 CB ALA A 142 4.355 12.774 13.331 1.00 11.19 C ATOM 0 H ALA A 142 6.240 11.073 13.082 1.00 15.61 H new ATOM 0 HA ALA A 142 3.551 10.894 13.136 1.00 12.46 H new ATOM 0 HB1 ALA A 142 3.549 13.245 13.068 1.00 11.19 H new ATOM 0 HB2 ALA A 142 4.406 12.738 14.299 1.00 11.19 H new ATOM 0 HB3 ALA A 142 5.130 13.242 12.984 1.00 11.19 H new ATOM 1129 N ALYS A 143 2.987 11.489 10.768 0.53 11.98 N ATOM 1130 N BLYS A 143 2.991 11.412 10.764 0.47 11.99 N ATOM 1131 CA ALYS A 143 2.758 11.739 9.352 0.53 9.90 C ATOM 1132 CA BLYS A 143 2.815 11.740 9.365 0.47 9.94 C ATOM 1133 C ALYS A 143 2.879 13.234 9.073 0.53 9.15 C ATOM 1134 C BLYS A 143 3.106 13.221 9.172 0.47 9.16 C ATOM 1135 O ALYS A 143 2.410 14.063 9.855 0.53 10.56 O ATOM 1136 O BLYS A 143 2.978 14.022 10.100 0.47 8.26 O ATOM 1137 CB ALYS A 143 1.386 11.214 8.940 0.53 9.64 C ATOM 1138 CB BLYS A 143 1.409 11.404 8.902 0.47 9.46 C ATOM 1139 CG ALYS A 143 1.265 9.707 9.123 0.53 14.59 C ATOM 1140 CG BLYS A 143 1.298 11.345 7.404 0.47 12.64 C ATOM 1141 CD ALYS A 143 -0.085 9.171 8.711 0.53 22.52 C ATOM 1142 CD BLYS A 143 0.091 10.561 7.004 0.47 20.05 C ATOM 1143 CE ALYS A 143 -0.078 7.645 8.707 0.53 17.19 C ATOM 1144 CE BLYS A 143 -0.655 11.299 5.943 0.47 12.55 C ATOM 1145 NZ ALYS A 143 1.057 7.124 7.897 0.53 29.05 N ATOM 1146 NZ BLYS A 143 -1.780 10.482 5.505 0.47 19.35 N ATOM 0 H ALYS A 143 2.273 11.404 11.239 0.53 11.99 H new ATOM 0 H BLYS A 143 2.273 11.237 11.204 0.47 11.99 H new ATOM 0 HA ALYS A 143 3.427 11.271 8.828 0.53 9.94 H new ATOM 0 HA BLYS A 143 3.429 11.214 8.830 0.47 9.94 H new ATOM 0 HB2ALYS A 143 0.701 11.657 9.465 0.53 9.46 H new ATOM 0 HB2BLYS A 143 1.143 10.550 9.277 0.47 9.46 H new ATOM 0 HB3ALYS A 143 1.221 11.439 8.011 0.53 9.46 H new ATOM 0 HB3BLYS A 143 0.791 12.069 9.244 0.47 9.46 H new ATOM 0 HG2ALYS A 143 1.955 9.266 8.603 0.53 12.64 H new ATOM 0 HG2BLYS A 143 1.243 12.243 7.042 0.47 12.64 H new ATOM 0 HG3ALYS A 143 1.426 9.485 10.053 0.53 12.64 H new ATOM 0 HG3BLYS A 143 2.095 10.937 7.030 0.47 12.64 H new ATOM 0 HD2ALYS A 143 -0.767 9.495 9.320 0.53 20.05 H new ATOM 0 HD2BLYS A 143 0.355 9.687 6.678 0.47 20.05 H new ATOM 0 HD3ALYS A 143 -0.314 9.501 7.828 0.53 20.05 H new ATOM 0 HD3BLYS A 143 -0.481 10.416 7.773 0.47 20.05 H new ATOM 0 HE2ALYS A 143 -0.010 7.315 9.617 0.53 12.55 H new ATOM 0 HE2BLYS A 143 -0.971 12.150 6.285 0.47 12.55 H new ATOM 0 HE3ALYS A 143 -0.916 7.314 8.347 0.53 12.55 H new ATOM 0 HE3BLYS A 143 -0.070 11.494 5.194 0.47 12.55 H new ATOM 0 HZ1ALYS A 143 0.804 6.384 7.472 0.53 19.35 H new ATOM 0 HZ1BLYS A 143 -2.232 10.914 4.871 0.47 19.35 H new ATOM 0 HZ2ALYS A 143 1.303 7.738 7.302 0.53 19.35 H new ATOM 0 HZ2BLYS A 143 -1.478 9.710 5.180 0.47 19.35 H new ATOM 0 HZ3ALYS A 143 1.743 6.938 8.432 0.53 19.35 H new ATOM 0 HZ3BLYS A 143 -2.318 10.322 6.196 0.47 19.35 H new ATOM 1147 N LEU A 144 3.533 13.574 7.963 1.00 9.25 N ATOM 1148 CA LEU A 144 3.899 14.948 7.643 1.00 9.34 C ATOM 1149 C LEU A 144 3.213 15.381 6.362 1.00 11.95 C ATOM 1150 O LEU A 144 3.303 14.686 5.345 1.00 10.67 O ATOM 1151 CB LEU A 144 5.417 15.083 7.473 1.00 6.88 C ATOM 1152 CG LEU A 144 5.916 16.455 7.024 1.00 7.23 C ATOM 1153 CD1 LEU A 144 5.711 17.477 8.132 1.00 7.73 C ATOM 1154 CD2 LEU A 144 7.369 16.380 6.634 1.00 12.74 C ATOM 0 H ALEU A 144 3.779 13.003 7.368 0.53 9.25 H new ATOM 0 H BLEU A 144 3.618 13.024 7.307 0.47 9.25 H new ATOM 0 HA LEU A 144 3.614 15.515 8.376 1.00 9.34 H new ATOM 0 HB2 LEU A 144 5.841 14.864 8.318 1.00 6.88 H new ATOM 0 HB3 LEU A 144 5.713 14.423 6.827 1.00 6.88 H new ATOM 0 HG LEU A 144 5.405 16.736 6.249 1.00 7.23 H new ATOM 0 HD11 LEU A 144 6.031 18.344 7.836 1.00 7.73 H new ATOM 0 HD12 LEU A 144 4.767 17.537 8.346 1.00 7.73 H new ATOM 0 HD13 LEU A 144 6.204 17.203 8.921 1.00 7.73 H new ATOM 0 HD21 LEU A 144 7.674 17.256 6.351 1.00 12.74 H new ATOM 0 HD22 LEU A 144 7.894 16.086 7.395 1.00 12.74 H new ATOM 0 HD23 LEU A 144 7.476 15.750 5.905 1.00 12.74 H new ATOM 1155 N VAL A 145 2.532 16.525 6.405 1.00 6.14 N ATOM 1156 CA VAL A 145 2.207 17.287 5.204 1.00 6.35 C ATOM 1157 C VAL A 145 3.357 18.262 4.985 1.00 10.08 C ATOM 1158 O VAL A 145 3.524 19.183 5.797 1.00 7.12 O ATOM 1159 CB VAL A 145 0.874 18.036 5.348 1.00 5.85 C ATOM 1160 CG1 VAL A 145 0.668 18.991 4.173 1.00 9.13 C ATOM 1161 CG2 VAL A 145 -0.294 17.045 5.472 1.00 10.59 C ATOM 0 H VAL A 145 2.246 16.881 7.134 1.00 6.14 H new ATOM 0 HA VAL A 145 2.099 16.693 4.445 1.00 6.35 H new ATOM 0 HB VAL A 145 0.902 18.564 6.161 1.00 5.85 H new ATOM 0 HG11 VAL A 145 -0.177 19.456 4.278 1.00 9.13 H new ATOM 0 HG12 VAL A 145 1.391 19.637 4.150 1.00 9.13 H new ATOM 0 HG13 VAL A 145 0.658 18.487 3.344 1.00 9.13 H new ATOM 0 HG21 VAL A 145 -1.126 17.535 5.562 1.00 10.59 H new ATOM 0 HG22 VAL A 145 -0.331 16.488 4.679 1.00 10.59 H new ATOM 0 HG23 VAL A 145 -0.163 16.486 6.254 1.00 10.59 H new ATOM 1162 N PRO A 146 4.199 18.069 3.966 1.00 8.11 N ATOM 1163 CA PRO A 146 5.457 18.833 3.917 1.00 6.93 C ATOM 1164 C PRO A 146 5.263 20.337 3.874 1.00 9.11 C ATOM 1165 O PRO A 146 6.003 21.079 4.538 1.00 9.09 O ATOM 1166 CB PRO A 146 6.127 18.303 2.637 1.00 11.53 C ATOM 1167 CG PRO A 146 5.632 16.898 2.540 1.00 19.74 C ATOM 1168 CD PRO A 146 4.195 16.948 3.008 1.00 13.12 C ATOM 0 HA PRO A 146 5.988 18.709 4.719 1.00 6.93 H new ATOM 0 HB2 PRO A 146 5.875 18.825 1.859 1.00 11.53 H new ATOM 0 HB3 PRO A 146 7.094 18.337 2.700 1.00 11.53 H new ATOM 0 HG2 PRO A 146 5.692 16.568 1.630 1.00 19.74 H new ATOM 0 HG3 PRO A 146 6.160 16.302 3.094 1.00 19.74 H new ATOM 0 HD2 PRO A 146 3.583 17.106 2.272 1.00 13.12 H new ATOM 0 HD3 PRO A 146 3.925 16.117 3.429 1.00 13.12 H new ATOM 1169 N PHE A 147 4.280 20.815 3.114 1.00 7.15 N ATOM 1170 CA PHE A 147 4.071 22.256 2.931 1.00 8.49 C ATOM 1171 C PHE A 147 2.565 22.498 3.028 1.00 7.68 C ATOM 1172 O PHE A 147 1.860 22.428 2.025 1.00 10.13 O ATOM 1173 CB PHE A 147 4.649 22.697 1.591 1.00 9.19 C ATOM 1174 CG PHE A 147 4.574 24.188 1.327 1.00 10.91 C ATOM 1175 CD1 PHE A 147 4.164 25.082 2.296 1.00 8.78 C ATOM 1176 CD2 PHE A 147 4.936 24.685 0.078 1.00 16.34 C ATOM 1177 CE1 PHE A 147 4.107 26.449 2.027 1.00 16.47 C ATOM 1178 CE2 PHE A 147 4.876 26.044 -0.197 1.00 14.73 C ATOM 1179 CZ PHE A 147 4.461 26.923 0.768 1.00 12.50 C ATOM 0 H PHE A 147 3.718 20.320 2.692 1.00 7.15 H new ATOM 0 HA PHE A 147 4.526 22.780 3.609 1.00 8.49 H new ATOM 0 HB2 PHE A 147 5.577 22.420 1.546 1.00 9.19 H new ATOM 0 HB3 PHE A 147 4.179 22.231 0.881 1.00 9.19 H new ATOM 0 HD1 PHE A 147 3.923 24.769 3.138 1.00 8.78 H new ATOM 0 HD2 PHE A 147 5.223 24.097 -0.583 1.00 16.34 H new ATOM 0 HE1 PHE A 147 3.833 27.043 2.688 1.00 16.47 H new ATOM 0 HE2 PHE A 147 5.118 26.358 -1.038 1.00 14.73 H new ATOM 0 HZ PHE A 147 4.416 27.833 0.582 1.00 12.50 H new ATOM 1180 N PHE A 148 2.091 22.818 4.235 1.00 4.93 N ATOM 1181 CA PHE A 148 0.649 22.918 4.462 1.00 5.63 C ATOM 1182 C PHE A 148 -0.005 23.965 3.554 1.00 8.87 C ATOM 1183 O PHE A 148 -1.090 23.732 3.006 1.00 9.54 O ATOM 1184 CB PHE A 148 0.399 23.214 5.943 1.00 7.54 C ATOM 1185 CG PHE A 148 -1.042 23.439 6.290 1.00 8.46 C ATOM 1186 CD1 PHE A 148 -2.009 22.544 5.878 1.00 12.83 C ATOM 1187 CD2 PHE A 148 -1.422 24.541 7.041 1.00 11.16 C ATOM 1188 CE1 PHE A 148 -3.328 22.742 6.209 1.00 8.54 C ATOM 1189 CE2 PHE A 148 -2.746 24.755 7.360 1.00 15.62 C ATOM 1190 CZ PHE A 148 -3.703 23.843 6.941 1.00 7.73 C ATOM 0 H PHE A 148 2.579 22.978 4.924 1.00 4.93 H new ATOM 0 HA PHE A 148 0.235 22.072 4.232 1.00 5.63 H new ATOM 0 HB2 PHE A 148 0.737 22.474 6.472 1.00 7.54 H new ATOM 0 HB3 PHE A 148 0.909 24.000 6.196 1.00 7.54 H new ATOM 0 HD1 PHE A 148 -1.766 21.802 5.373 1.00 12.83 H new ATOM 0 HD2 PHE A 148 -0.776 25.143 7.333 1.00 11.16 H new ATOM 0 HE1 PHE A 148 -3.970 22.127 5.936 1.00 8.54 H new ATOM 0 HE2 PHE A 148 -2.995 25.504 7.852 1.00 15.62 H new ATOM 0 HZ PHE A 148 -4.598 23.976 7.155 1.00 7.73 H new ATOM 1191 N LEU A 149 0.644 25.108 3.351 1.00 7.03 N ATOM 1192 CA LEU A 149 0.046 26.182 2.561 1.00 5.73 C ATOM 1193 C LEU A 149 0.394 26.094 1.083 1.00 10.37 C ATOM 1194 O LEU A 149 0.160 27.062 0.347 1.00 10.53 O ATOM 1195 CB LEU A 149 0.463 27.550 3.109 1.00 7.18 C ATOM 1196 CG LEU A 149 -0.095 27.940 4.476 1.00 7.70 C ATOM 1197 CD1 LEU A 149 0.415 29.316 4.916 1.00 12.77 C ATOM 1198 CD2 LEU A 149 -1.614 27.926 4.455 1.00 14.38 C ATOM 0 H LEU A 149 1.428 25.282 3.660 1.00 7.03 H new ATOM 0 HA LEU A 149 -0.915 26.076 2.638 1.00 5.73 H new ATOM 0 HB2 LEU A 149 1.431 27.574 3.159 1.00 7.18 H new ATOM 0 HB3 LEU A 149 0.195 28.227 2.468 1.00 7.18 H new ATOM 0 HG LEU A 149 0.217 27.284 5.119 1.00 7.70 H new ATOM 0 HD11 LEU A 149 0.045 29.536 5.785 1.00 12.77 H new ATOM 0 HD12 LEU A 149 1.383 29.300 4.972 1.00 12.77 H new ATOM 0 HD13 LEU A 149 0.140 29.985 4.269 1.00 12.77 H new ATOM 0 HD21 LEU A 149 -1.952 28.175 5.329 1.00 14.38 H new ATOM 0 HD22 LEU A 149 -1.934 28.558 3.792 1.00 14.38 H new ATOM 0 HD23 LEU A 149 -1.927 27.036 4.230 1.00 14.38 H new ATOM 1199 N GLU A 150 0.916 24.952 0.629 1.00 7.69 N ATOM 1200 CA GLU A 150 1.385 24.848 -0.748 1.00 7.85 C ATOM 1201 C GLU A 150 0.277 25.193 -1.738 1.00 7.47 C ATOM 1202 O GLU A 150 0.529 25.850 -2.756 1.00 11.15 O ATOM 1203 CB GLU A 150 1.928 23.443 -1.013 1.00 9.97 C ATOM 1204 CG GLU A 150 2.462 23.247 -2.434 1.00 15.39 C ATOM 1205 CD GLU A 150 3.205 21.934 -2.589 1.00 29.18 C ATOM 1206 OE1 GLU A 150 3.805 21.706 -3.660 1.00 43.31 O ATOM 1207 OE2 GLU A 150 3.192 21.131 -1.630 1.00 36.72 O ATOM 0 H GLU A 150 1.005 24.237 1.098 1.00 7.69 H new ATOM 0 HA GLU A 150 2.101 25.490 -0.874 1.00 7.85 H new ATOM 0 HB2 GLU A 150 2.639 23.255 -0.380 1.00 9.97 H new ATOM 0 HB3 GLU A 150 1.224 22.797 -0.849 1.00 9.97 H new ATOM 0 HG2 GLU A 150 1.724 23.275 -3.062 1.00 15.39 H new ATOM 0 HG3 GLU A 150 3.055 23.981 -2.659 1.00 15.39 H new ATOM 1208 N ALA A 151 -0.964 24.802 -1.435 1.00 9.70 N ATOM 1209 CA ALA A 151 -2.034 24.968 -2.416 1.00 9.92 C ATOM 1210 C ALA A 151 -2.440 26.424 -2.619 1.00 13.70 C ATOM 1211 O ALA A 151 -3.109 26.725 -3.615 1.00 13.23 O ATOM 1212 CB ALA A 151 -3.254 24.134 -2.013 1.00 10.02 C ATOM 0 H ALA A 151 -1.201 24.448 -0.688 1.00 9.70 H new ATOM 0 HA ALA A 151 -1.684 24.654 -3.264 1.00 9.92 H new ATOM 0 HB1 ALA A 151 -3.958 24.251 -2.670 1.00 10.02 H new ATOM 0 HB2 ALA A 151 -3.006 23.197 -1.969 1.00 10.02 H new ATOM 0 HB3 ALA A 151 -3.572 24.425 -1.144 1.00 10.02 H new ATOM 1213 N VAL A 152 -2.077 27.329 -1.708 1.00 9.58 N ATOM 1214 CA VAL A 152 -2.333 28.754 -1.896 1.00 11.40 C ATOM 1215 C VAL A 152 -1.057 29.541 -2.141 1.00 12.97 C ATOM 1216 O VAL A 152 -1.116 30.770 -2.290 1.00 11.91 O ATOM 1217 CB VAL A 152 -3.118 29.355 -0.713 1.00 15.30 C ATOM 1218 CG1 VAL A 152 -4.496 28.714 -0.620 1.00 11.80 C ATOM 1219 CG2 VAL A 152 -2.340 29.198 0.605 1.00 11.70 C ATOM 0 H VAL A 152 -1.679 27.134 -0.971 1.00 9.58 H new ATOM 0 HA VAL A 152 -2.882 28.828 -2.693 1.00 11.40 H new ATOM 0 HB VAL A 152 -3.232 30.305 -0.870 1.00 15.30 H new ATOM 0 HG11 VAL A 152 -4.982 29.098 0.126 1.00 11.80 H new ATOM 0 HG12 VAL A 152 -4.985 28.877 -1.442 1.00 11.80 H new ATOM 0 HG13 VAL A 152 -4.400 27.758 -0.485 1.00 11.80 H new ATOM 0 HG21 VAL A 152 -2.854 29.583 1.332 1.00 11.70 H new ATOM 0 HG22 VAL A 152 -2.187 28.256 0.781 1.00 11.70 H new ATOM 0 HG23 VAL A 152 -1.488 29.656 0.534 1.00 11.70 H new ATOM 1220 N ALA A 153 0.091 28.867 -2.237 1.00 15.05 N ATOM 1221 CA ALA A 153 1.367 29.575 -2.300 1.00 24.03 C ATOM 1222 C ALA A 153 1.479 30.449 -3.541 1.00 19.43 C ATOM 1223 O ALA A 153 2.142 31.494 -3.501 1.00 31.10 O ATOM 1224 CB ALA A 153 2.524 28.576 -2.247 1.00 20.31 C ATOM 0 H ALA A 153 0.151 28.010 -2.267 1.00 15.05 H new ATOM 0 HA ALA A 153 1.412 30.163 -1.530 1.00 24.03 H new ATOM 0 HB1 ALA A 153 3.367 29.054 -2.289 1.00 20.31 H new ATOM 0 HB2 ALA A 153 2.480 28.073 -1.419 1.00 20.31 H new ATOM 0 HB3 ALA A 153 2.460 27.967 -2.999 1.00 20.31 H new ATOM 1225 N ASP A 154 0.855 30.044 -4.649 1.00 15.97 N ATOM 1226 CA ASP A 154 0.900 30.806 -5.891 1.00 25.03 C ATOM 1227 C ASP A 154 -0.412 31.522 -6.176 1.00 13.43 C ATOM 1228 O ASP A 154 -0.666 31.895 -7.324 1.00 18.28 O ATOM 1229 CB ASP A 154 1.245 29.892 -7.068 1.00 25.90 C ATOM 1230 CG ASP A 154 2.639 29.320 -6.975 1.00 51.16 C ATOM 1231 OD1 ASP A 154 3.595 30.108 -6.814 1.00 61.84 O ATOM 1232 OD2 ASP A 154 2.777 28.082 -7.065 1.00 59.98 O ATOM 0 H ASP A 154 0.395 29.319 -4.698 1.00 15.97 H new ATOM 0 HA ASP A 154 1.591 31.478 -5.783 1.00 25.03 H new ATOM 0 HB2 ASP A 154 0.604 29.165 -7.107 1.00 25.90 H new ATOM 0 HB3 ASP A 154 1.159 30.391 -7.896 1.00 25.90 H new ATOM 1233 N ARG A 155 -1.259 31.710 -5.163 1.00 10.11 N ATOM 1234 CA ARG A 155 -2.632 32.171 -5.364 1.00 10.00 C ATOM 1235 C ARG A 155 -2.925 33.348 -4.444 1.00 8.72 C ATOM 1236 O ARG A 155 -3.636 33.215 -3.443 1.00 7.54 O ATOM 1237 CB ARG A 155 -3.623 31.028 -5.136 1.00 9.10 C ATOM 1238 CG ARG A 155 -3.518 29.892 -6.148 1.00 10.32 C ATOM 1239 CD ARG A 155 -4.004 30.293 -7.545 1.00 9.84 C ATOM 1240 NE ARG A 155 -5.341 30.886 -7.538 1.00 7.41 N ATOM 1241 CZ ARG A 155 -6.471 30.202 -7.674 1.00 10.69 C ATOM 1242 NH1 ARG A 155 -6.438 28.882 -7.802 1.00 10.85 N ATOM 1243 NH2 ARG A 155 -7.639 30.839 -7.671 1.00 10.72 N ATOM 0 H ARG A 155 -1.052 31.573 -4.339 1.00 10.11 H new ATOM 0 HA ARG A 155 -2.734 32.469 -6.281 1.00 10.00 H new ATOM 0 HB2 ARG A 155 -3.485 30.668 -4.246 1.00 9.10 H new ATOM 0 HB3 ARG A 155 -4.524 31.386 -5.160 1.00 9.10 H new ATOM 0 HG2 ARG A 155 -2.595 29.598 -6.203 1.00 10.32 H new ATOM 0 HG3 ARG A 155 -4.038 29.136 -5.834 1.00 10.32 H new ATOM 0 HD2 ARG A 155 -3.377 30.925 -7.931 1.00 9.84 H new ATOM 0 HD3 ARG A 155 -4.006 29.510 -8.118 1.00 9.84 H new ATOM 0 HE ARG A 155 -5.399 31.738 -7.439 1.00 7.41 H new ATOM 0 HH11 ARG A 155 -5.684 28.468 -7.797 1.00 10.85 H new ATOM 0 HH12 ARG A 155 -7.171 28.440 -7.890 1.00 10.85 H new ATOM 0 HH21 ARG A 155 -7.662 31.694 -7.581 1.00 10.72 H new ATOM 0 HH22 ARG A 155 -8.371 30.396 -7.759 1.00 10.72 H new ATOM 1244 N PRO A 156 -2.385 34.527 -4.757 1.00 12.00 N ATOM 1245 CA PRO A 156 -2.680 35.702 -3.925 1.00 14.51 C ATOM 1246 C PRO A 156 -4.155 36.042 -3.897 1.00 10.75 C ATOM 1247 O PRO A 156 -4.606 36.675 -2.938 1.00 10.03 O ATOM 1248 CB PRO A 156 -1.850 36.819 -4.577 1.00 19.03 C ATOM 1249 CG PRO A 156 -1.576 36.343 -5.953 1.00 21.93 C ATOM 1250 CD PRO A 156 -1.495 34.850 -5.884 1.00 13.50 C ATOM 0 HA PRO A 156 -2.456 35.556 -2.993 1.00 14.51 H new ATOM 0 HB2 PRO A 156 -2.337 37.658 -4.586 1.00 19.03 H new ATOM 0 HB3 PRO A 156 -1.026 36.974 -4.089 1.00 19.03 H new ATOM 0 HG2 PRO A 156 -2.279 36.622 -6.560 1.00 21.93 H new ATOM 0 HG3 PRO A 156 -0.746 36.718 -6.288 1.00 21.93 H new ATOM 0 HD2 PRO A 156 -1.793 34.435 -6.708 1.00 13.50 H new ATOM 0 HD3 PRO A 156 -0.588 34.546 -5.725 1.00 13.50 H new ATOM 1251 N ASP A 157 -4.923 35.617 -4.904 1.00 9.87 N ATOM 1252 CA ASP A 157 -6.361 35.833 -4.891 1.00 10.39 C ATOM 1253 C ASP A 157 -7.069 34.978 -3.850 1.00 14.29 C ATOM 1254 O ASP A 157 -8.234 35.249 -3.541 1.00 11.73 O ATOM 1255 CB ASP A 157 -6.956 35.580 -6.281 1.00 6.88 C ATOM 1256 CG ASP A 157 -6.603 34.213 -6.858 1.00 13.02 C ATOM 1257 OD1 ASP A 157 -5.545 33.634 -6.518 1.00 12.30 O ATOM 1258 OD2 ASP A 157 -7.392 33.727 -7.696 1.00 10.90 O ATOM 0 H ASP A 157 -4.627 35.204 -5.598 1.00 9.87 H new ATOM 0 HA ASP A 157 -6.505 36.760 -4.646 1.00 10.39 H new ATOM 0 HB2 ASP A 157 -7.921 35.662 -6.231 1.00 6.88 H new ATOM 0 HB3 ASP A 157 -6.644 36.269 -6.888 1.00 6.88 H new ATOM 1259 N LEU A 158 -6.389 33.978 -3.288 1.00 6.25 N ATOM 1260 CA LEU A 158 -6.961 33.131 -2.250 1.00 6.57 C ATOM 1261 C LEU A 158 -6.457 33.495 -0.861 1.00 9.53 C ATOM 1262 O LEU A 158 -6.661 32.723 0.084 1.00 8.86 O ATOM 1263 CB LEU A 158 -6.661 31.655 -2.548 1.00 6.72 C ATOM 1264 CG LEU A 158 -7.235 31.135 -3.871 1.00 5.04 C ATOM 1265 CD1 LEU A 158 -6.842 29.677 -4.045 1.00 7.01 C ATOM 1266 CD2 LEU A 158 -8.746 31.280 -3.887 1.00 8.58 C ATOM 0 H LEU A 158 -5.581 33.774 -3.501 1.00 6.25 H new ATOM 0 HA LEU A 158 -7.920 33.278 -2.256 1.00 6.57 H new ATOM 0 HB2 LEU A 158 -5.699 31.529 -2.556 1.00 6.72 H new ATOM 0 HB3 LEU A 158 -7.012 31.114 -1.823 1.00 6.72 H new ATOM 0 HG LEU A 158 -6.875 31.657 -4.605 1.00 5.04 H new ATOM 0 HD11 LEU A 158 -7.203 29.342 -4.881 1.00 7.01 H new ATOM 0 HD12 LEU A 158 -5.875 29.602 -4.057 1.00 7.01 H new ATOM 0 HD13 LEU A 158 -7.197 29.156 -3.308 1.00 7.01 H new ATOM 0 HD21 LEU A 158 -9.094 30.947 -4.729 1.00 8.58 H new ATOM 0 HD22 LEU A 158 -9.128 30.770 -3.156 1.00 8.58 H new ATOM 0 HD23 LEU A 158 -8.983 32.215 -3.787 1.00 8.58 H new ATOM 1267 N ILE A 159 -5.810 34.656 -0.721 1.00 7.31 N ATOM 1268 CA ILE A 159 -5.227 35.108 0.537 1.00 7.63 C ATOM 1269 C ILE A 159 -5.905 36.407 0.945 1.00 9.44 C ATOM 1270 O ILE A 159 -6.138 37.285 0.106 1.00 13.82 O ATOM 1271 CB ILE A 159 -3.700 35.305 0.403 1.00 10.47 C ATOM 1272 CG1 ILE A 159 -3.042 34.026 -0.105 1.00 13.75 C ATOM 1273 CG2 ILE A 159 -3.085 35.723 1.740 1.00 10.20 C ATOM 1274 CD1 ILE A 159 -3.299 32.832 0.781 1.00 20.19 C ATOM 0 H ILE A 159 -5.698 35.210 -1.369 1.00 7.31 H new ATOM 0 HA ILE A 159 -5.370 34.434 1.220 1.00 7.63 H new ATOM 0 HB ILE A 159 -3.542 36.014 -0.240 1.00 10.47 H new ATOM 0 HG12 ILE A 159 -3.368 33.834 -0.998 1.00 13.75 H new ATOM 0 HG13 ILE A 159 -2.085 34.168 -0.177 1.00 13.75 H new ATOM 0 HG21 ILE A 159 -2.128 35.841 1.633 1.00 10.20 H new ATOM 0 HG22 ILE A 159 -3.483 36.558 2.032 1.00 10.20 H new ATOM 0 HG23 ILE A 159 -3.254 35.035 2.403 1.00 10.20 H new ATOM 0 HD11 ILE A 159 -2.858 32.052 0.409 1.00 20.19 H new ATOM 0 HD12 ILE A 159 -2.951 33.007 1.669 1.00 20.19 H new ATOM 0 HD13 ILE A 159 -4.254 32.668 0.835 1.00 20.19 H new ATOM 1275 N GLN A 160 -6.237 36.515 2.227 1.00 8.48 N ATOM 1276 CA GLN A 160 -6.846 37.725 2.745 1.00 11.82 C ATOM 1277 C GLN A 160 -5.875 38.893 2.652 1.00 15.23 C ATOM 1278 O GLN A 160 -4.657 38.734 2.752 1.00 14.58 O ATOM 1279 CB GLN A 160 -7.265 37.542 4.202 1.00 10.96 C ATOM 1280 CG GLN A 160 -8.415 36.597 4.438 1.00 14.72 C ATOM 1281 CD GLN A 160 -8.709 36.432 5.913 1.00 24.51 C ATOM 1282 OE1 GLN A 160 -8.795 37.419 6.648 1.00 22.64 O ATOM 1283 NE2 GLN A 160 -8.855 35.187 6.360 1.00 19.73 N ATOM 0 H GLN A 160 -6.116 35.896 2.811 1.00 8.48 H new ATOM 0 HA GLN A 160 -7.632 37.912 2.208 1.00 11.82 H new ATOM 0 HB2 GLN A 160 -6.498 37.224 4.704 1.00 10.96 H new ATOM 0 HB3 GLN A 160 -7.502 38.410 4.565 1.00 10.96 H new ATOM 0 HG2 GLN A 160 -9.206 36.930 3.985 1.00 14.72 H new ATOM 0 HG3 GLN A 160 -8.209 35.732 4.050 1.00 14.72 H new ATOM 0 HE21 GLN A 160 -8.788 34.524 5.816 1.00 19.73 H new ATOM 0 HE22 GLN A 160 -9.016 35.045 7.193 1.00 19.73 H new ATOM 1284 N LYS A 161 -6.428 40.076 2.443 1.00 16.57 N ATOM 1285 CA LYS A 161 -5.666 41.305 2.584 1.00 23.82 C ATOM 1286 C LYS A 161 -5.757 41.719 4.045 1.00 26.68 C ATOM 1287 O LYS A 161 -6.855 41.980 4.545 1.00 24.38 O ATOM 1288 CB LYS A 161 -6.226 42.385 1.660 1.00 33.44 C ATOM 1289 CG LYS A 161 -5.359 43.622 1.506 1.00 37.94 C ATOM 1290 CD LYS A 161 -6.201 44.786 0.982 1.00 49.81 C ATOM 1291 CE LYS A 161 -5.363 45.808 0.231 1.00 47.27 C ATOM 1292 NZ LYS A 161 -5.174 45.412 -1.193 1.00 52.34 N ATOM 0 H LYS A 161 -7.250 40.190 2.217 1.00 16.57 H new ATOM 0 HA LYS A 161 -4.738 41.175 2.332 1.00 23.82 H new ATOM 0 HB2 LYS A 161 -6.368 41.997 0.783 1.00 33.44 H new ATOM 0 HB3 LYS A 161 -7.095 42.657 1.994 1.00 33.44 H new ATOM 0 HG2 LYS A 161 -4.963 43.857 2.360 1.00 37.94 H new ATOM 0 HG3 LYS A 161 -4.628 43.440 0.895 1.00 37.94 H new ATOM 0 HD2 LYS A 161 -6.893 44.444 0.395 1.00 49.81 H new ATOM 0 HD3 LYS A 161 -6.648 45.220 1.725 1.00 49.81 H new ATOM 0 HE2 LYS A 161 -5.794 46.676 0.273 1.00 47.27 H new ATOM 0 HE3 LYS A 161 -4.498 45.899 0.661 1.00 47.27 H new ATOM 0 HZ1 LYS A 161 -4.681 46.025 -1.609 1.00 52.34 H new ATOM 0 HZ2 LYS A 161 -4.760 44.625 -1.230 1.00 52.34 H new ATOM 0 HZ3 LYS A 161 -5.967 45.349 -1.592 1.00 52.34 H new ATOM 1293 N ASP A 162 -4.625 41.726 4.747 1.00 35.00 N ATOM 1294 CA ASP A 162 -4.659 42.206 6.125 1.00 38.10 C ATOM 1295 C ASP A 162 -3.405 43.006 6.454 1.00 38.52 C ATOM 1296 O ASP A 162 -3.361 44.215 6.201 1.00 34.27 O ATOM 1297 CB ASP A 162 -4.857 41.049 7.118 1.00 39.00 C ATOM 1298 CG ASP A 162 -4.066 39.809 6.758 1.00 41.02 C ATOM 1299 OD1 ASP A 162 -2.854 39.930 6.500 1.00 32.01 O ATOM 1300 OD2 ASP A 162 -4.659 38.706 6.755 1.00 33.21 O ATOM 0 H ASP A 162 -3.857 41.468 4.459 1.00 35.00 H new ATOM 0 HA ASP A 162 -5.423 42.798 6.213 1.00 38.10 H new ATOM 0 HB2 ASP A 162 -4.598 41.344 8.005 1.00 39.00 H new ATOM 0 HB3 ASP A 162 -5.800 40.823 7.158 1.00 39.00 H new ATOM 1301 N HIS A 163 -2.391 42.352 7.021 1.00 27.19 N ATOM 1302 CA HIS A 163 -1.137 43.035 7.330 1.00 29.11 C ATOM 1303 C HIS A 163 -0.451 43.482 6.044 1.00 33.48 C ATOM 1304 O HIS A 163 -0.368 42.725 5.073 1.00 39.79 O ATOM 1305 CB HIS A 163 -0.206 42.116 8.124 1.00 39.76 C ATOM 1306 CG HIS A 163 -0.808 41.573 9.384 1.00 41.61 C ATOM 1307 ND1 HIS A 163 -0.359 41.930 10.638 1.00 40.61 N ATOM 1308 CD2 HIS A 163 -1.810 40.684 9.585 1.00 38.20 C ATOM 1309 CE1 HIS A 163 -1.063 41.293 11.557 1.00 44.05 C ATOM 1310 NE2 HIS A 163 -1.951 40.530 10.944 1.00 42.89 N ATOM 0 H HIS A 163 -2.409 41.519 7.233 1.00 27.19 H new ATOM 0 HA HIS A 163 -1.338 43.815 7.870 1.00 29.11 H new ATOM 0 HB2 HIS A 163 0.059 41.374 7.558 1.00 39.76 H new ATOM 0 HB3 HIS A 163 0.601 42.605 8.348 1.00 39.76 H new ATOM 0 HD1 HIS A 163 0.281 42.482 10.797 1.00 40.61 H new ATOM 0 HD2 HIS A 163 -2.309 40.257 8.927 1.00 38.20 H new ATOM 0 HE1 HIS A 163 -0.953 41.369 12.477 1.00 44.05 H new ATOM 1311 N VAL A 164 0.049 44.715 6.040 1.00 25.95 N ATOM 1312 CA VAL A 164 0.721 45.294 4.873 1.00 27.77 C ATOM 1313 C VAL A 164 1.983 45.973 5.403 1.00 17.36 C ATOM 1314 O VAL A 164 1.974 47.168 5.713 1.00 41.32 O ATOM 1315 CB VAL A 164 -0.175 46.282 4.111 1.00 27.91 C ATOM 1316 CG1 VAL A 164 0.560 46.903 2.924 1.00 24.23 C ATOM 1317 CG2 VAL A 164 -1.450 45.602 3.630 1.00 36.27 C ATOM 0 H VAL A 164 0.009 45.244 6.717 1.00 25.95 H new ATOM 0 HA VAL A 164 0.936 44.603 4.227 1.00 27.77 H new ATOM 0 HB VAL A 164 -0.411 46.991 4.730 1.00 27.91 H new ATOM 0 HG11 VAL A 164 -0.030 47.520 2.465 1.00 24.23 H new ATOM 0 HG12 VAL A 164 1.343 47.380 3.241 1.00 24.23 H new ATOM 0 HG13 VAL A 164 0.835 46.203 2.311 1.00 24.23 H new ATOM 0 HG21 VAL A 164 -1.999 46.244 3.153 1.00 36.27 H new ATOM 0 HG22 VAL A 164 -1.222 44.868 3.038 1.00 36.27 H new ATOM 0 HG23 VAL A 164 -1.942 45.260 4.393 1.00 36.27 H new ATOM 1318 N HIS A 165 3.074 45.198 5.567 1.00 16.57 N ATOM 1319 CA HIS A 165 4.351 45.749 6.032 1.00 13.53 C ATOM 1320 C HIS A 165 5.226 46.084 4.839 1.00 19.98 C ATOM 1321 O HIS A 165 5.671 45.152 4.152 1.00 14.96 O ATOM 1322 CB HIS A 165 5.098 44.764 6.906 1.00 23.03 C ATOM 1323 CG HIS A 165 4.454 44.512 8.220 1.00 36.54 C ATOM 1324 ND1 HIS A 165 4.006 45.526 9.037 1.00 39.37 N ATOM 1325 CD2 HIS A 165 4.179 43.356 8.861 1.00 38.18 C ATOM 1326 CE1 HIS A 165 3.494 45.003 10.134 1.00 32.70 C ATOM 1327 NE2 HIS A 165 3.584 43.687 10.052 1.00 34.26 N ATOM 0 H HIS A 165 3.088 44.352 5.413 1.00 16.57 H new ATOM 0 HA HIS A 165 4.154 46.544 6.551 1.00 13.53 H new ATOM 0 HB2 HIS A 165 5.181 43.923 6.431 1.00 23.03 H new ATOM 0 HB3 HIS A 165 5.997 45.096 7.055 1.00 23.03 H new ATOM 0 HD2 HIS A 165 4.359 42.497 8.553 1.00 38.18 H new ATOM 0 HE1 HIS A 165 3.131 45.480 10.845 1.00 32.70 H new ATOM 0 HE2 HIS A 165 3.314 43.129 10.648 1.00 34.26 H new ATOM 1328 N PRO A 166 5.555 47.346 4.584 1.00 14.70 N ATOM 1329 CA PRO A 166 6.411 47.648 3.430 1.00 4.40 C ATOM 1330 C PRO A 166 7.814 47.094 3.591 1.00 6.78 C ATOM 1331 O PRO A 166 8.351 46.986 4.699 1.00 9.38 O ATOM 1332 CB PRO A 166 6.430 49.184 3.380 1.00 9.29 C ATOM 1333 CG PRO A 166 5.184 49.599 4.129 1.00 19.47 C ATOM 1334 CD PRO A 166 5.033 48.568 5.222 1.00 12.38 C ATOM 0 HA PRO A 166 6.075 47.242 2.616 1.00 4.40 H new ATOM 0 HB2 PRO A 166 7.229 49.542 3.797 1.00 9.29 H new ATOM 0 HB3 PRO A 166 6.418 49.508 2.466 1.00 9.29 H new ATOM 0 HG2 PRO A 166 5.275 50.492 4.497 1.00 19.47 H new ATOM 0 HG3 PRO A 166 4.409 49.610 3.545 1.00 19.47 H new ATOM 0 HD2 PRO A 166 5.539 48.806 6.015 1.00 12.38 H new ATOM 0 HD3 PRO A 166 4.108 48.465 5.496 1.00 12.38 H new ATOM 1335 N THR A 167 8.400 46.728 2.452 1.00 7.71 N ATOM 1336 CA THR A 167 9.819 46.410 2.381 1.00 8.84 C ATOM 1337 C THR A 167 10.626 47.688 2.563 1.00 9.61 C ATOM 1338 O THR A 167 10.076 48.791 2.639 1.00 7.97 O ATOM 1339 CB THR A 167 10.166 45.777 1.037 1.00 5.33 C ATOM 1340 OG1 THR A 167 9.948 46.740 0.004 1.00 8.25 O ATOM 1341 CG2 THR A 167 9.297 44.553 0.761 1.00 8.74 C ATOM 0 H THR A 167 7.985 46.658 1.702 1.00 7.71 H new ATOM 0 HA THR A 167 10.033 45.776 3.083 1.00 8.84 H new ATOM 0 HB THR A 167 11.094 45.496 1.059 1.00 5.33 H new ATOM 0 HG1 THR A 167 10.337 46.491 -0.698 1.00 8.25 H new ATOM 0 HG21 THR A 167 9.538 44.172 -0.098 1.00 8.74 H new ATOM 0 HG22 THR A 167 9.436 43.893 1.458 1.00 8.74 H new ATOM 0 HG23 THR A 167 8.363 44.815 0.747 1.00 8.74 H new ATOM 1342 N ALA A 168 11.953 47.545 2.606 1.00 8.89 N ATOM 1343 CA ALA A 168 12.796 48.734 2.713 1.00 8.24 C ATOM 1344 C ALA A 168 12.577 49.657 1.520 1.00 7.74 C ATOM 1345 O ALA A 168 12.512 50.880 1.672 1.00 7.12 O ATOM 1346 CB ALA A 168 14.268 48.330 2.838 1.00 8.47 C ATOM 0 H ALA A 168 12.372 46.795 2.576 1.00 8.89 H new ATOM 0 HA ALA A 168 12.547 49.222 3.514 1.00 8.24 H new ATOM 0 HB1 ALA A 168 14.817 49.126 2.908 1.00 8.47 H new ATOM 0 HB2 ALA A 168 14.388 47.784 3.631 1.00 8.47 H new ATOM 0 HB3 ALA A 168 14.532 47.823 2.054 1.00 8.47 H new ATOM 1347 N ARG A 169 12.447 49.085 0.322 1.00 8.14 N ATOM 1348 CA ARG A 169 12.130 49.888 -0.852 1.00 9.62 C ATOM 1349 C ARG A 169 10.732 50.489 -0.748 1.00 9.35 C ATOM 1350 O ARG A 169 10.507 51.635 -1.163 1.00 7.44 O ATOM 1351 CB ARG A 169 12.262 49.022 -2.107 1.00 10.78 C ATOM 1352 CG ARG A 169 12.263 49.785 -3.396 1.00 13.17 C ATOM 1353 CD ARG A 169 13.410 50.804 -3.476 1.00 19.05 C ATOM 1354 NE ARG A 169 13.567 51.268 -4.854 1.00 20.44 N ATOM 1355 CZ ARG A 169 13.909 52.502 -5.208 1.00 29.60 C ATOM 1356 NH1 ARG A 169 14.143 53.426 -4.283 1.00 31.69 N ATOM 1357 NH2 ARG A 169 14.011 52.811 -6.499 1.00 24.20 N ATOM 0 H ARG A 169 12.538 48.243 0.172 1.00 8.14 H new ATOM 0 HA ARG A 169 12.756 50.627 -0.907 1.00 9.62 H new ATOM 0 HB2 ARG A 169 13.084 48.511 -2.047 1.00 10.78 H new ATOM 0 HB3 ARG A 169 11.531 48.384 -2.123 1.00 10.78 H new ATOM 0 HG2 ARG A 169 12.335 49.163 -4.137 1.00 13.17 H new ATOM 0 HG3 ARG A 169 11.416 50.247 -3.495 1.00 13.17 H new ATOM 0 HD2 ARG A 169 13.226 51.556 -2.892 1.00 19.05 H new ATOM 0 HD3 ARG A 169 14.235 50.399 -3.166 1.00 19.05 H new ATOM 0 HE ARG A 169 13.427 50.699 -5.483 1.00 20.44 H new ATOM 0 HH11 ARG A 169 14.073 53.227 -3.449 1.00 31.69 H new ATOM 0 HH12 ARG A 169 14.364 54.223 -4.518 1.00 31.69 H new ATOM 0 HH21 ARG A 169 13.856 52.213 -7.098 1.00 24.20 H new ATOM 0 HH22 ARG A 169 14.232 53.608 -6.734 1.00 24.20 H new ATOM 1358 N GLY A 170 9.772 49.733 -0.205 1.00 7.27 N ATOM 1359 CA GLY A 170 8.446 50.299 0.000 1.00 6.53 C ATOM 1360 C GLY A 170 8.463 51.472 0.969 1.00 7.30 C ATOM 1361 O GLY A 170 7.749 52.462 0.776 1.00 6.77 O ATOM 0 H GLY A 170 9.868 48.915 0.043 1.00 7.27 H new ATOM 0 HA2 GLY A 170 8.086 50.591 -0.852 1.00 6.53 H new ATOM 0 HA3 GLY A 170 7.852 49.611 0.338 1.00 6.53 H new ATOM 1362 N VAL A 171 9.304 51.395 2.003 1.00 7.23 N ATOM 1363 CA VAL A 171 9.437 52.521 2.932 1.00 6.95 C ATOM 1364 C VAL A 171 9.920 53.762 2.193 1.00 10.12 C ATOM 1365 O VAL A 171 9.398 54.869 2.390 1.00 7.59 O ATOM 1366 CB VAL A 171 10.378 52.155 4.096 1.00 8.86 C ATOM 1367 CG1 VAL A 171 10.837 53.418 4.858 1.00 6.42 C ATOM 1368 CG2 VAL A 171 9.701 51.167 5.037 1.00 10.07 C ATOM 0 H VAL A 171 9.798 50.714 2.182 1.00 7.23 H new ATOM 0 HA VAL A 171 8.566 52.720 3.310 1.00 6.95 H new ATOM 0 HB VAL A 171 11.168 51.731 3.725 1.00 8.86 H new ATOM 0 HG11 VAL A 171 11.427 53.162 5.584 1.00 6.42 H new ATOM 0 HG12 VAL A 171 11.310 54.008 4.251 1.00 6.42 H new ATOM 0 HG13 VAL A 171 10.063 53.878 5.218 1.00 6.42 H new ATOM 0 HG21 VAL A 171 10.305 50.946 5.764 1.00 10.07 H new ATOM 0 HG22 VAL A 171 8.893 51.565 5.398 1.00 10.07 H new ATOM 0 HG23 VAL A 171 9.473 50.360 4.550 1.00 10.07 H new ATOM 1369 N GLU A 172 10.919 53.601 1.324 1.00 8.67 N ATOM 1370 CA GLU A 172 11.416 54.754 0.580 1.00 7.68 C ATOM 1371 C GLU A 172 10.310 55.354 -0.266 1.00 8.35 C ATOM 1372 O GLU A 172 10.220 56.578 -0.410 1.00 7.56 O ATOM 1373 CB GLU A 172 12.617 54.349 -0.272 1.00 10.30 C ATOM 1374 CG GLU A 172 13.781 53.975 0.593 1.00 8.07 C ATOM 1375 CD GLU A 172 14.989 53.527 -0.184 1.00 17.56 C ATOM 1376 OE1 GLU A 172 14.901 53.417 -1.423 1.00 20.22 O ATOM 1377 OE2 GLU A 172 16.022 53.297 0.472 1.00 16.86 O ATOM 0 H GLU A 172 11.312 52.855 1.155 1.00 8.67 H new ATOM 0 HA GLU A 172 11.709 55.435 1.206 1.00 7.68 H new ATOM 0 HB2 GLU A 172 12.378 53.601 -0.841 1.00 10.30 H new ATOM 0 HB3 GLU A 172 12.866 55.082 -0.857 1.00 10.30 H new ATOM 0 HG2 GLU A 172 14.024 54.736 1.143 1.00 8.07 H new ATOM 0 HG3 GLU A 172 13.511 53.264 1.196 1.00 8.07 H new ATOM 1378 N AGLU A 173 9.443 54.506 -0.820 0.38 6.43 N ATOM 1379 N BGLU A 173 9.451 54.501 -0.827 0.62 6.38 N ATOM 1380 CA AGLU A 173 8.295 54.995 -1.574 0.38 9.32 C ATOM 1381 CA BGLU A 173 8.298 54.973 -1.585 0.62 9.36 C ATOM 1382 C AGLU A 173 7.380 55.842 -0.702 0.38 5.94 C ATOM 1383 C BGLU A 173 7.366 55.817 -0.720 0.62 5.86 C ATOM 1384 O AGLU A 173 6.943 56.927 -1.105 0.38 7.43 O ATOM 1385 O BGLU A 173 6.909 56.888 -1.144 0.62 7.40 O ATOM 1386 CB AGLU A 173 7.532 53.812 -2.162 0.38 11.27 C ATOM 1387 CB BGLU A 173 7.567 53.764 -2.175 0.62 11.33 C ATOM 1388 CG AGLU A 173 8.190 53.279 -3.392 0.38 8.23 C ATOM 1389 CG BGLU A 173 6.489 54.084 -3.171 0.62 6.51 C ATOM 1390 CD AGLU A 173 8.250 54.325 -4.466 0.38 13.42 C ATOM 1391 CD BGLU A 173 7.031 54.705 -4.439 0.62 15.59 C ATOM 1392 OE1AGLU A 173 7.223 55.011 -4.657 0.38 10.22 O ATOM 1393 OE1BGLU A 173 8.190 54.419 -4.823 0.62 10.88 O ATOM 1394 OE2AGLU A 173 9.317 54.478 -5.095 0.38 13.44 O ATOM 1395 OE2BGLU A 173 6.287 55.498 -5.047 0.62 8.32 O ATOM 0 H AGLU A 173 9.503 53.650 -0.770 0.38 6.38 H new ATOM 0 H BGLU A 173 9.521 53.645 -0.779 0.62 6.38 H new ATOM 0 HA AGLU A 173 8.616 55.561 -2.294 0.38 9.36 H new ATOM 0 HA BGLU A 173 8.603 55.548 -2.304 0.62 9.36 H new ATOM 0 HB2AGLU A 173 7.468 53.107 -1.499 0.38 11.33 H new ATOM 0 HB2BGLU A 173 8.220 53.188 -2.602 0.62 11.33 H new ATOM 0 HB3AGLU A 173 6.626 54.085 -2.373 0.38 11.33 H new ATOM 0 HB3BGLU A 173 7.174 53.257 -1.448 0.62 11.33 H new ATOM 0 HG2AGLU A 173 9.087 52.978 -3.178 0.38 6.51 H new ATOM 0 HG2BGLU A 173 6.008 53.272 -3.393 0.62 6.51 H new ATOM 0 HG3AGLU A 173 7.701 52.506 -3.715 0.38 6.51 H new ATOM 0 HG3BGLU A 173 5.850 54.691 -2.766 0.62 6.51 H new ATOM 1396 N LEU A 174 7.067 55.351 0.498 1.00 5.89 N ATOM 1397 CA LEU A 174 6.208 56.108 1.405 1.00 7.29 C ATOM 1398 C LEU A 174 6.862 57.413 1.835 1.00 6.29 C ATOM 1399 O LEU A 174 6.181 58.430 1.988 1.00 6.89 O ATOM 1400 CB LEU A 174 5.890 55.281 2.647 1.00 6.59 C ATOM 1401 CG LEU A 174 5.153 53.966 2.441 1.00 8.54 C ATOM 1402 CD1 LEU A 174 5.052 53.268 3.786 1.00 12.40 C ATOM 1403 CD2 LEU A 174 3.776 54.232 1.859 1.00 9.07 C ATOM 0 H ALEU A 174 7.338 54.593 0.801 0.38 5.89 H new ATOM 0 H BLEU A 174 7.351 54.603 0.813 0.62 5.89 H new ATOM 0 HA LEU A 174 5.391 56.313 0.925 1.00 7.29 H new ATOM 0 HB2 LEU A 174 6.725 55.089 3.101 1.00 6.59 H new ATOM 0 HB3 LEU A 174 5.361 55.831 3.246 1.00 6.59 H new ATOM 0 HG LEU A 174 5.632 53.398 1.817 1.00 8.54 H new ATOM 0 HD11 LEU A 174 4.584 52.425 3.679 1.00 12.40 H new ATOM 0 HD12 LEU A 174 5.943 53.102 4.132 1.00 12.40 H new ATOM 0 HD13 LEU A 174 4.564 53.831 4.407 1.00 12.40 H new ATOM 0 HD21 LEU A 174 3.311 53.391 1.730 1.00 9.07 H new ATOM 0 HD22 LEU A 174 3.269 54.791 2.469 1.00 9.07 H new ATOM 0 HD23 LEU A 174 3.867 54.685 1.006 1.00 9.07 H new ATOM 1404 N VAL A 175 8.171 57.384 2.086 1.00 5.99 N ATOM 1405 CA VAL A 175 8.887 58.608 2.447 1.00 6.99 C ATOM 1406 C VAL A 175 8.794 59.627 1.312 1.00 5.56 C ATOM 1407 O VAL A 175 8.519 60.813 1.535 1.00 6.46 O ATOM 1408 CB VAL A 175 10.349 58.286 2.803 1.00 6.70 C ATOM 1409 CG1 VAL A 175 11.148 59.566 2.937 1.00 8.09 C ATOM 1410 CG2 VAL A 175 10.426 57.497 4.125 1.00 9.69 C ATOM 0 H VAL A 175 8.658 56.676 2.053 1.00 5.99 H new ATOM 0 HA VAL A 175 8.473 59.000 3.232 1.00 6.99 H new ATOM 0 HB VAL A 175 10.721 57.744 2.089 1.00 6.70 H new ATOM 0 HG11 VAL A 175 12.067 59.352 3.161 1.00 8.09 H new ATOM 0 HG12 VAL A 175 11.125 60.051 2.097 1.00 8.09 H new ATOM 0 HG13 VAL A 175 10.764 60.115 3.638 1.00 8.09 H new ATOM 0 HG21 VAL A 175 11.353 57.303 4.333 1.00 9.69 H new ATOM 0 HG22 VAL A 175 10.038 58.025 4.840 1.00 9.69 H new ATOM 0 HG23 VAL A 175 9.935 56.665 4.035 1.00 9.69 H new ATOM 1411 N ASER A 176 9.027 59.182 0.074 0.55 8.57 N ATOM 1412 N BSER A 176 9.014 59.174 0.072 0.45 8.56 N ATOM 1413 CA ASER A 176 8.925 60.103 -1.055 0.55 8.13 C ATOM 1414 CA BSER A 176 8.930 60.087 -1.065 0.45 8.15 C ATOM 1415 C ASER A 176 7.532 60.702 -1.162 0.55 10.77 C ATOM 1416 C BSER A 176 7.534 60.680 -1.204 0.45 10.74 C ATOM 1417 O ASER A 176 7.384 61.870 -1.544 0.55 12.63 O ATOM 1418 O BSER A 176 7.388 61.828 -1.642 0.45 12.69 O ATOM 1419 CB ASER A 176 9.295 59.394 -2.357 0.55 10.64 C ATOM 1420 CB BSER A 176 9.346 59.372 -2.356 0.45 10.64 C ATOM 1421 OG ASER A 176 10.667 59.059 -2.373 0.55 11.16 O ATOM 1422 OG BSER A 176 8.391 58.404 -2.766 0.45 7.65 O ATOM 0 H ASER A 176 9.239 58.373 -0.128 0.55 8.56 H new ATOM 0 H BSER A 176 9.209 58.360 -0.126 0.45 8.56 H new ATOM 0 HA ASER A 176 9.551 60.828 -0.900 0.55 8.15 H new ATOM 0 HA BSER A 176 9.544 60.820 -0.903 0.45 8.15 H new ATOM 0 HB2ASER A 176 8.760 58.591 -2.456 0.55 10.64 H new ATOM 0 HB2BSER A 176 9.464 60.026 -3.062 0.45 10.64 H new ATOM 0 HB3ASER A 176 9.089 59.967 -3.112 0.55 10.64 H new ATOM 0 HB3BSER A 176 10.204 58.940 -2.222 0.45 10.64 H new ATOM 0 HG ASER A 176 10.791 58.362 -1.921 0.55 7.65 H new ATOM 0 HG BSER A 176 8.045 58.047 -2.089 0.45 7.65 H new ATOM 1423 N ALA A 177 6.500 59.930 -0.810 1.00 6.02 N ATOM 1424 CA ALA A 177 5.128 60.400 -0.927 1.00 6.04 C ATOM 1425 C ALA A 177 4.699 61.328 0.202 1.00 7.40 C ATOM 1426 O ALA A 177 3.761 62.115 0.019 1.00 13.22 O ATOM 1427 CB ALA A 177 4.179 59.196 -0.973 1.00 9.75 C ATOM 0 H AALA A 177 6.579 59.131 -0.502 0.55 6.02 H new ATOM 0 H BALA A 177 6.579 59.143 -0.472 0.45 6.02 H new ATOM 0 HA ALA A 177 5.084 60.917 -1.747 1.00 6.04 H new ATOM 0 HB1 ALA A 177 3.264 59.508 -1.051 1.00 9.75 H new ATOM 0 HB2 ALA A 177 4.397 58.641 -1.738 1.00 9.75 H new ATOM 0 HB3 ALA A 177 4.275 58.677 -0.159 1.00 9.75 H new ATOM 1428 N THR A 178 5.333 61.250 1.370 1.00 6.51 N ATOM 1429 CA THR A 178 4.818 61.924 2.550 1.00 6.36 C ATOM 1430 C THR A 178 5.766 62.958 3.140 1.00 9.36 C ATOM 1431 O THR A 178 5.358 63.684 4.053 1.00 8.60 O ATOM 1432 CB THR A 178 4.470 60.897 3.650 1.00 5.54 C ATOM 1433 OG1 THR A 178 5.644 60.152 3.987 1.00 7.32 O ATOM 1434 CG2 THR A 178 3.388 59.934 3.172 1.00 9.82 C ATOM 0 H THR A 178 6.062 60.811 1.496 1.00 6.51 H new ATOM 0 HA THR A 178 4.027 62.397 2.247 1.00 6.36 H new ATOM 0 HB THR A 178 4.139 61.376 4.426 1.00 5.54 H new ATOM 0 HG1 THR A 178 5.819 59.611 3.369 1.00 7.32 H new ATOM 0 HG21 THR A 178 3.185 59.299 3.877 1.00 9.82 H new ATOM 0 HG22 THR A 178 2.587 60.433 2.947 1.00 9.82 H new ATOM 0 HG23 THR A 178 3.702 59.457 2.388 1.00 9.82 H new ATOM 1435 N SER A 179 7.012 63.051 2.655 1.00 8.41 N ATOM 1436 CA SER A 179 7.963 63.982 3.260 1.00 8.16 C ATOM 1437 C SER A 179 7.504 65.426 3.130 1.00 9.11 C ATOM 1438 O SER A 179 7.748 66.235 4.039 1.00 7.29 O ATOM 1439 CB SER A 179 9.348 63.813 2.630 1.00 10.19 C ATOM 1440 OG SER A 179 9.954 62.641 3.118 1.00 12.90 O ATOM 0 H SER A 179 7.317 62.594 1.993 1.00 8.41 H new ATOM 0 HA SER A 179 8.012 63.772 4.206 1.00 8.16 H new ATOM 0 HB2 SER A 179 9.270 63.769 1.664 1.00 10.19 H new ATOM 0 HB3 SER A 179 9.902 64.583 2.835 1.00 10.19 H new ATOM 0 HG SER A 179 9.604 61.971 2.752 1.00 12.90 H new ATOM 1441 N ASN A 180 6.875 65.780 1.996 1.00 9.56 N ATOM 1442 CA ASN A 180 6.333 67.132 1.829 1.00 9.22 C ATOM 1443 C ASN A 180 5.370 67.482 2.958 1.00 13.23 C ATOM 1444 O ASN A 180 5.407 68.595 3.498 1.00 9.60 O ATOM 1445 CB ASN A 180 5.604 67.265 0.490 1.00 9.77 C ATOM 1446 CG ASN A 180 6.554 67.473 -0.673 1.00 21.02 C ATOM 1447 OD1 ASN A 180 7.730 67.727 -0.469 1.00 15.74 O ATOM 1448 ND2 ASN A 180 6.043 67.367 -1.897 1.00 14.39 N ATOM 0 H ASN A 180 6.755 65.257 1.324 1.00 9.56 H new ATOM 0 HA ASN A 180 7.083 67.747 1.850 1.00 9.22 H new ATOM 0 HB2 ASN A 180 5.075 66.467 0.333 1.00 9.77 H new ATOM 0 HB3 ASN A 180 4.985 68.011 0.535 1.00 9.77 H new ATOM 0 HD21 ASN A 180 6.547 67.479 -2.585 1.00 14.39 H new ATOM 0 HD22 ASN A 180 5.209 67.187 -2.000 1.00 14.39 H new ATOM 1449 N ALA A 181 4.481 66.552 3.305 1.00 8.50 N ATOM 1450 CA ALA A 181 3.499 66.823 4.351 1.00 6.58 C ATOM 1451 C ALA A 181 4.168 66.971 5.708 1.00 9.39 C ATOM 1452 O ALA A 181 3.744 67.796 6.528 1.00 9.84 O ATOM 1453 CB ALA A 181 2.456 65.705 4.401 1.00 10.43 C ATOM 0 H ALA A 181 4.430 65.769 2.952 1.00 8.50 H new ATOM 0 HA ALA A 181 3.059 67.660 4.137 1.00 6.58 H new ATOM 0 HB1 ALA A 181 1.810 65.896 5.099 1.00 10.43 H new ATOM 0 HB2 ALA A 181 2.001 65.648 3.546 1.00 10.43 H new ATOM 0 HB3 ALA A 181 2.895 64.861 4.590 1.00 10.43 H new ATOM 1454 N VAL A 182 5.203 66.172 5.969 1.00 7.50 N ATOM 1455 CA VAL A 182 5.908 66.273 7.237 1.00 5.78 C ATOM 1456 C VAL A 182 6.627 67.609 7.324 1.00 8.41 C ATOM 1457 O VAL A 182 6.531 68.321 8.327 1.00 9.60 O ATOM 1458 CB VAL A 182 6.882 65.097 7.410 1.00 9.50 C ATOM 1459 CG1 VAL A 182 7.728 65.293 8.670 1.00 9.13 C ATOM 1460 CG2 VAL A 182 6.107 63.785 7.456 1.00 7.42 C ATOM 0 H VAL A 182 5.506 65.574 5.431 1.00 7.50 H new ATOM 0 HA VAL A 182 5.265 66.227 7.962 1.00 5.78 H new ATOM 0 HB VAL A 182 7.485 65.063 6.651 1.00 9.50 H new ATOM 0 HG11 VAL A 182 8.339 64.546 8.769 1.00 9.13 H new ATOM 0 HG12 VAL A 182 8.235 66.117 8.595 1.00 9.13 H new ATOM 0 HG13 VAL A 182 7.147 65.341 9.446 1.00 9.13 H new ATOM 0 HG21 VAL A 182 6.727 63.047 7.565 1.00 7.42 H new ATOM 0 HG22 VAL A 182 5.488 63.800 8.203 1.00 7.42 H new ATOM 0 HG23 VAL A 182 5.612 63.672 6.629 1.00 7.42 H new ATOM 1461 N ALA A 183 7.344 67.976 6.259 1.00 9.52 N ATOM 1462 CA ALA A 183 8.076 69.237 6.267 1.00 8.80 C ATOM 1463 C ALA A 183 7.137 70.424 6.452 1.00 12.09 C ATOM 1464 O ALA A 183 7.459 71.374 7.181 1.00 12.44 O ATOM 1465 CB ALA A 183 8.878 69.369 4.965 1.00 9.45 C ATOM 0 H ALA A 183 7.417 67.516 5.536 1.00 9.52 H new ATOM 0 HA ALA A 183 8.688 69.237 7.020 1.00 8.80 H new ATOM 0 HB1 ALA A 183 9.366 70.208 4.969 1.00 9.45 H new ATOM 0 HB2 ALA A 183 9.504 68.632 4.894 1.00 9.45 H new ATOM 0 HB3 ALA A 183 8.272 69.351 4.208 1.00 9.45 H new ATOM 1466 N LYS A 184 5.959 70.381 5.822 1.00 8.81 N ATOM 1467 CA LYS A 184 5.020 71.488 5.968 1.00 12.28 C ATOM 1468 C LYS A 184 4.434 71.539 7.373 1.00 14.83 C ATOM 1469 O LYS A 184 4.153 72.624 7.892 1.00 15.32 O ATOM 1470 CB LYS A 184 3.890 71.381 4.949 1.00 13.64 C ATOM 1471 CG LYS A 184 4.285 71.603 3.500 1.00 33.58 C ATOM 1472 CD LYS A 184 3.057 71.930 2.657 1.00 41.31 C ATOM 1473 CE LYS A 184 2.249 70.678 2.326 1.00 46.27 C ATOM 1474 NZ LYS A 184 2.626 70.089 1.009 1.00 38.88 N ATOM 0 H LYS A 184 5.693 69.736 5.319 1.00 8.81 H new ATOM 0 HA LYS A 184 5.516 72.306 5.809 1.00 12.28 H new ATOM 0 HB2 LYS A 184 3.489 70.501 5.026 1.00 13.64 H new ATOM 0 HB3 LYS A 184 3.204 72.026 5.182 1.00 13.64 H new ATOM 0 HG2 LYS A 184 4.927 72.328 3.441 1.00 33.58 H new ATOM 0 HG3 LYS A 184 4.721 70.809 3.152 1.00 33.58 H new ATOM 0 HD2 LYS A 184 2.496 72.561 3.134 1.00 41.31 H new ATOM 0 HD3 LYS A 184 3.335 72.363 1.835 1.00 41.31 H new ATOM 0 HE2 LYS A 184 2.382 70.017 3.023 1.00 46.27 H new ATOM 0 HE3 LYS A 184 1.304 70.898 2.320 1.00 46.27 H new ATOM 0 HZ1 LYS A 184 2.133 69.364 0.856 1.00 38.88 H new ATOM 0 HZ2 LYS A 184 2.483 70.686 0.365 1.00 38.88 H new ATOM 0 HZ3 LYS A 184 3.487 69.865 1.019 1.00 38.88 H new ATOM 1475 N ALA A 185 4.216 70.373 7.991 1.00 9.58 N ATOM 1476 CA ALA A 185 3.593 70.336 9.311 1.00 9.23 C ATOM 1477 C ALA A 185 4.547 70.807 10.400 1.00 11.01 C ATOM 1478 O ALA A 185 4.099 71.285 11.453 1.00 13.05 O ATOM 1479 CB ALA A 185 3.090 68.919 9.615 1.00 9.53 C ATOM 0 H ALA A 185 4.420 69.604 7.665 1.00 9.58 H new ATOM 0 HA ALA A 185 2.840 70.947 9.301 1.00 9.23 H new ATOM 0 HB1 ALA A 185 2.678 68.903 10.493 1.00 9.53 H new ATOM 0 HB2 ALA A 185 2.437 68.657 8.947 1.00 9.53 H new ATOM 0 HB3 ALA A 185 3.836 68.300 9.597 1.00 9.53 H new ATOM 1480 N LEU A 186 5.849 70.675 10.179 1.00 9.13 N ATOM 1481 CA LEU A 186 6.835 71.117 11.164 1.00 9.78 C ATOM 1482 C LEU A 186 6.939 72.636 11.138 1.00 19.84 C ATOM 1483 O LEU A 186 7.214 73.204 10.077 1.00 15.31 O ATOM 1484 CB LEU A 186 8.196 70.493 10.864 1.00 9.81 C ATOM 1485 CG LEU A 186 9.366 70.868 11.771 1.00 9.67 C ATOM 1486 CD1 LEU A 186 9.203 70.229 13.137 1.00 10.60 C ATOM 1487 CD2 LEU A 186 10.669 70.402 11.134 1.00 11.24 C ATOM 0 H LEU A 186 6.185 70.332 9.465 1.00 9.13 H new ATOM 0 HA LEU A 186 6.551 70.832 12.047 1.00 9.78 H new ATOM 0 HB2 LEU A 186 8.094 69.529 10.892 1.00 9.81 H new ATOM 0 HB3 LEU A 186 8.437 70.727 9.954 1.00 9.81 H new ATOM 0 HG LEU A 186 9.384 71.832 11.881 1.00 9.67 H new ATOM 0 HD11 LEU A 186 9.952 70.476 13.701 1.00 10.60 H new ATOM 0 HD12 LEU A 186 8.378 70.538 13.543 1.00 10.60 H new ATOM 0 HD13 LEU A 186 9.174 69.264 13.042 1.00 10.60 H new ATOM 0 HD21 LEU A 186 11.413 70.639 11.709 1.00 11.24 H new ATOM 0 HD22 LEU A 186 10.646 69.439 11.017 1.00 11.24 H new ATOM 0 HD23 LEU A 186 10.779 70.830 10.270 1.00 11.24 H new ATOM 1488 N PRO A 187 6.724 73.326 12.259 1.00 14.09 N ATOM 1489 CA PRO A 187 6.856 74.789 12.255 1.00 13.94 C ATOM 1490 C PRO A 187 8.257 75.218 11.832 1.00 14.32 C ATOM 1491 O PRO A 187 9.251 74.570 12.159 1.00 17.74 O ATOM 1492 CB PRO A 187 6.563 75.176 13.711 1.00 17.99 C ATOM 1493 CG PRO A 187 5.781 74.013 14.273 1.00 20.68 C ATOM 1494 CD PRO A 187 6.363 72.802 13.592 1.00 10.51 C ATOM 0 HA PRO A 187 6.259 75.222 11.624 1.00 13.94 H new ATOM 0 HB2 PRO A 187 7.383 75.321 14.208 1.00 17.99 H new ATOM 0 HB3 PRO A 187 6.052 75.999 13.760 1.00 17.99 H new ATOM 0 HG2 PRO A 187 5.876 73.956 15.237 1.00 20.68 H new ATOM 0 HG3 PRO A 187 4.833 74.102 14.086 1.00 20.68 H new ATOM 0 HD2 PRO A 187 7.136 72.458 14.066 1.00 10.51 H new ATOM 0 HD3 PRO A 187 5.721 72.077 13.533 1.00 10.51 H new ATOM 1495 N ALA A 188 8.332 76.319 11.094 1.00 28.69 N ATOM 1496 CA ALA A 188 9.616 76.774 10.553 1.00 31.35 C ATOM 1497 C ALA A 188 10.504 77.408 11.619 1.00 32.55 C ATOM 1498 O ALA A 188 10.092 77.584 12.764 1.00 35.85 O ATOM 1499 CB ALA A 188 9.392 77.755 9.406 1.00 31.32 C ATOM 0 H ALA A 188 7.659 76.816 10.894 1.00 28.69 H new ATOM 0 HA ALA A 188 10.079 75.989 10.221 1.00 31.35 H new ATOM 0 HB1 ALA A 188 10.249 78.047 9.058 1.00 31.32 H new ATOM 0 HB2 ALA A 188 8.889 77.319 8.701 1.00 31.32 H new ATOM 0 HB3 ALA A 188 8.896 78.523 9.729 1.00 31.32 H new TER 1500 ALA A 188 HETATM 1501 CD CD A 201 16.099 31.975 23.615 0.89 12.27 CD HETATM 1502 CD CD A 202 17.523 53.057 -1.512 0.50 24.19 CD HETATM 1503 CD CD A 203 -18.183 20.133 14.076 0.61 16.39 CD HETATM 1504 CD CD A 204 1.112 44.088 11.144 0.50 13.93 CD HETATM 1505 CD CD A 205 8.529 69.982 -1.359 0.58 21.01 CD HETATM 1506 CD CD A 206 -18.870 30.534 2.909 0.41 32.45 CD HETATM 1507 C ACT A 207 -0.092 32.843 10.894 1.00 41.44 C HETATM 1508 O ACT A 207 0.071 33.588 9.884 1.00 41.03 O HETATM 1509 OXT ACT A 207 -0.720 33.091 11.965 1.00 37.98 O HETATM 1510 CH3 ACT A 207 0.562 31.419 10.815 1.00 25.40 C HETATM 0 H3 ACT A 207 0.191 30.934 10.061 1.00 25.40 H new HETATM 0 H2 ACT A 207 1.521 31.509 10.701 1.00 25.40 H new HETATM 0 H1 ACT A 207 0.379 30.933 11.634 1.00 25.40 H new HETATM 1511 O HOH A 301 -17.648 34.027 3.075 1.00 21.55 O HETATM 1512 O HOH A 302 -19.164 37.804 6.135 1.00 39.18 O HETATM 1513 O HOH A 303 6.371 57.797 -3.617 1.00 26.34 O HETATM 1514 O HOH A 304 8.385 73.301 7.964 1.00 24.98 O HETATM 1515 O HOH A 305 -18.870 12.901 23.506 1.00 20.68 O HETATM 1516 O HOH A 306 10.541 15.550 27.884 1.00 31.09 O HETATM 1517 O HOH A 307 -1.524 32.811 14.156 1.00 11.64 O HETATM 1518 O HOH A 308 3.560 41.388 10.685 1.00 19.21 O HETATM 1519 O HOH A 309 10.334 7.575 12.301 1.00 37.69 O HETATM 1520 O HOH A 310 -1.068 39.105 5.110 1.00 32.82 O HETATM 1521 O HOH A 311 -19.391 34.274 4.601 1.00 35.40 O HETATM 1522 O HOH A 312 -13.665 11.347 29.188 1.00 28.66 O HETATM 1523 O HOH A 313 19.024 24.181 14.177 1.00 22.00 O HETATM 1524 O HOH A 314 6.444 73.998 7.867 1.00 22.13 O HETATM 1525 O HOH A 315 10.600 52.341 -5.254 1.00 34.93 O HETATM 1526 O HOH A 316 -2.453 41.541 3.509 1.00 35.99 O HETATM 1527 O HOH A 317 17.404 28.465 0.432 1.00 22.96 O HETATM 1528 O HOH A 318 4.034 54.472 -5.642 1.00 18.19 O HETATM 1529 O HOH A 319 10.864 28.034 2.385 1.00 12.72 O HETATM 1530 O HOH A 320 10.559 45.763 -2.297 1.00 10.46 O HETATM 1531 O HOH A 321 1.738 72.214 12.002 1.00 26.71 O HETATM 1532 O HOH A 322 -17.029 14.340 8.829 1.00 13.54 O HETATM 1533 O HOH A 323 18.482 29.643 16.706 1.00 18.08 O HETATM 1534 O HOH A 324 6.113 17.265 26.725 1.00 23.76 O HETATM 1535 O HOH A 325 7.075 64.226 -0.412 1.00 14.59 O HETATM 1536 O HOH A 326 6.544 26.308 30.412 1.00 13.33 O HETATM 1537 O HOH A 327 8.006 20.178 6.006 1.00 12.48 O HETATM 1538 O HOH A 328 -4.635 20.080 32.818 1.00 13.57 O HETATM 1539 O HOH A 329 2.445 29.436 15.087 1.00 7.01 O HETATM 1540 O HOH A 330 -2.494 30.173 23.908 1.00 15.50 O HETATM 1541 O HOH A 331 16.652 22.318 10.564 1.00 17.14 O HETATM 1542 O HOH A 332 -13.219 15.570 22.936 1.00 11.22 O HETATM 1543 O HOH A 333 2.031 27.687 12.022 1.00 9.19 O HETATM 1544 O HOH A 334 -14.827 8.934 25.041 1.00 20.35 O HETATM 1545 O HOH A 335 1.716 9.311 18.854 1.00 20.68 O HETATM 1546 O HOH A 336 -15.958 34.836 3.998 1.00 23.82 O HETATM 1547 O HOH A 337 11.877 31.021 21.086 1.00 16.25 O HETATM 1548 O HOH A 338 15.401 18.092 8.447 1.00 20.83 O HETATM 1549 O HOH A 339 10.311 6.719 9.297 1.00 27.30 O HETATM 1550 O HOH A 340 6.239 26.995 26.574 1.00 17.56 O HETATM 1551 O HOH A 341 10.618 13.185 7.830 1.00 26.21 O HETATM 1552 O HOH A 342 -8.249 38.596 -0.972 1.00 31.90 O HETATM 1553 O HOH A 343 19.105 34.024 7.421 1.00 11.02 O HETATM 1554 O HOH A 344 9.196 22.712 6.285 1.00 10.16 O HETATM 1555 O HOH A 345 -14.288 19.089 22.613 1.00 24.08 O HETATM 1556 O HOH A 346 13.892 17.078 19.614 1.00 32.67 O HETATM 1557 O HOH A 347 -12.631 9.349 21.618 1.00 21.69 O HETATM 1558 O HOH A 348 -11.531 36.740 12.872 1.00 33.77 O HETATM 1559 O HOH A 349 -0.681 29.157 25.751 1.00 11.76 O HETATM 1560 O HOH A 350 -14.032 28.054 3.875 1.00 10.67 O HETATM 1561 O HOH A 351 -14.370 30.976 11.210 1.00 25.81 O HETATM 1562 O HOH A 352 -1.671 22.813 0.472 1.00 11.62 O HETATM 1563 O HOH A 353 16.053 22.900 4.975 1.00 17.64 O HETATM 1564 O HOH A 354 -7.818 13.759 25.933 1.00 17.20 O HETATM 1565 O HOH A 355 3.165 22.178 12.673 1.00 6.26 O HETATM 1566 O HOH A 356 1.170 21.724 28.478 1.00 12.37 O HETATM 1567 O HOH A 357 3.649 64.693 1.129 1.00 13.09 O HETATM 1568 O HOH A 358 -8.915 28.587 8.676 1.00 14.79 O HETATM 1569 O HOH A 359 -6.389 6.685 17.615 1.00 18.67 O HETATM 1570 O HOH A 360 4.119 6.216 24.266 1.00 38.46 O HETATM 1571 O HOH A 361 -15.434 21.080 2.779 1.00 21.18 O HETATM 1572 O HOH A 362 20.285 23.325 16.353 1.00 25.04 O HETATM 1573 O HOH A 363 -18.055 21.529 10.099 1.00 21.66 O HETATM 1574 O HOH A 364 2.649 25.832 5.236 1.00 10.22 O HETATM 1575 O HOH A 365 -14.304 22.876 18.485 1.00 18.87 O HETATM 1576 O HOH A 366 1.839 33.451 21.352 1.00 15.54 O HETATM 1577 O HOH A 367 7.982 30.023 20.654 1.00 9.57 O HETATM 1578 O HOH A 368 -2.758 37.586 4.853 1.00 35.21 O HETATM 1579 O HOH A 369 16.142 20.571 12.657 1.00 14.76 O HETATM 1580 O HOH A 370 -1.225 22.868 29.732 1.00 10.85 O HETATM 1581 O HOH A 371 -4.395 26.853 -7.805 1.00 12.12 O HETATM 1582 O HOH A 372 11.210 29.864 18.638 1.00 11.67 O HETATM 1583 O HOH A 373 -17.154 17.154 0.000 0.46 27.38 O HETATM 1584 O HOH A 374 12.582 23.963 2.093 1.00 21.22 O HETATM 1585 O HOH A 375 12.807 58.458 -0.530 1.00 31.77 O HETATM 1586 O HOH A 376 7.815 20.241 -0.585 1.00 36.29 O HETATM 1587 O HOH A 377 -7.987 32.800 18.502 1.00 16.40 O HETATM 1588 O HOH A 378 10.472 29.543 23.042 1.00 17.36 O HETATM 1589 O HOH A 379 -16.613 20.467 16.074 1.00 23.89 O HETATM 1590 O HOH A 380 11.756 56.881 -3.977 1.00 33.36 O HETATM 1591 O HOH A 381 -14.413 22.219 13.713 1.00 21.88 O HETATM 1592 O HOH A 382 -19.936 14.491 9.351 1.00 29.22 O HETATM 1593 O HOH A 383 2.901 19.502 0.895 1.00 17.53 O HETATM 1594 O HOH A 384 -0.346 27.504 -5.464 1.00 32.10 O HETATM 1595 O HOH A 385 -19.681 34.707 10.823 1.00 35.59 O HETATM 1596 O HOH A 386 -16.920 7.665 10.857 1.00 20.18 O HETATM 1597 O HOH A 387 9.578 19.576 4.042 1.00 16.43 O HETATM 1598 O HOH A 388 -12.210 8.991 25.533 1.00 22.31 O HETATM 1599 O HOH A 389 4.950 26.717 33.171 1.00 11.78 O HETATM 1600 O HOH A 390 -14.330 6.271 10.502 1.00 17.95 O HETATM 1601 O HOH A 391 -7.175 32.278 9.130 1.00 21.45 O HETATM 1602 O HOH A 392 -11.301 22.241 23.392 1.00 30.42 O HETATM 1603 O HOH A 393 -22.259 2.697 9.394 1.00 25.17 O HETATM 1604 O HOH A 394 -2.004 33.551 21.220 1.00 27.03 O HETATM 1605 O HOH A 395 -3.904 39.217 12.734 1.00 32.56 O HETATM 1606 O HOH A 396 1.461 9.046 14.848 1.00 17.54 O HETATM 1607 O HOH A 397 -6.232 7.788 20.470 1.00 26.56 O HETATM 1608 O HOH A 398 15.562 37.171 13.573 1.00 30.82 O HETATM 1609 O HOH A 399 7.777 48.963 6.854 1.00 17.61 O HETATM 1610 O HOH A 400 -6.924 26.454 23.681 1.00 21.26 O HETATM 1611 O HOH A 401 -18.043 7.070 12.851 1.00 28.81 O HETATM 1612 O HOH A 402 -20.945 7.597 11.900 1.00 22.32 O HETATM 1613 O HOH A 403 1.400 14.050 3.125 1.00 31.14 O HETATM 1614 O HOH A 404 -10.135 12.564 27.151 1.00 29.66 O HETATM 1615 O HOH A 405 4.126 28.141 5.681 1.00 12.95 O HETATM 1616 O HOH A 406 -5.710 12.230 26.542 1.00 23.51 O HETATM 1617 O HOH A 407 4.598 11.298 6.270 1.00 21.31 O HETATM 1618 O HOH A 408 17.470 28.032 24.244 1.00 38.39 O HETATM 1619 O HOH A 409 1.035 9.106 12.589 1.00 24.50 O HETATM 1620 O HOH A 410 -9.217 39.749 1.233 1.00 31.27 O HETATM 1621 O HOH A 411 9.002 26.472 0.632 1.00 21.45 O HETATM 1622 O HOH A 412 2.980 9.447 16.306 1.00 31.14 O HETATM 1623 O HOH A 413 21.574 33.756 4.694 1.00 18.34 O HETATM 1624 O HOH A 414 -1.515 31.095 -10.202 1.00 32.64 O HETATM 1625 O HOH A 415 16.488 50.158 0.513 1.00 40.91 O HETATM 1626 O HOH A 416 -5.292 9.764 27.941 1.00 36.56 O HETATM 1627 O HOH A 417 -12.308 15.517 30.730 1.00 26.09 O HETATM 1628 O HOH A 418 6.225 70.531 -0.195 1.00 26.77 O HETATM 1629 O HOH A 419 -14.328 24.750 13.730 1.00 25.33 O HETATM 1630 O HOH A 420 -8.857 5.467 16.766 1.00 26.67 O HETATM 1631 O HOH A 421 -1.065 36.161 13.803 1.00 34.96 O HETATM 1632 O HOH A 422 -16.739 22.029 12.948 1.00 32.95 O HETATM 1633 O HOH A 423 -20.493 20.942 13.343 1.00 23.59 O HETATM 1634 O HOH A 424 -0.230 20.299 0.351 1.00 29.49 O HETATM 1635 O HOH A 425 4.017 63.945 -2.906 1.00 35.34 O HETATM 1636 O HOH A 426 -8.508 38.749 -3.817 1.00 30.68 O HETATM 1637 O HOH A 427 -25.291 31.285 15.856 1.00 39.92 O HETATM 1638 O HOH A 428 20.607 21.665 14.895 1.00 35.40 O HETATM 1639 O HOH A 429 4.206 7.039 10.442 1.00 41.97 O HETATM 1640 O HOH A 430 14.107 20.737 4.903 1.00 27.77 O HETATM 1641 O HOH A 431 17.156 51.266 -3.394 1.00 30.31 O HETATM 1642 O HOH A 432 -0.127 5.957 18.215 1.00 37.81 O HETATM 1643 O HOH A 433 -0.288 26.028 -7.757 1.00 41.71 O HETATM 1644 O HOH A 434 -16.165 34.095 1.435 1.00 40.39 O HETATM 1645 O HOH A 435 11.988 21.186 3.874 1.00 28.81 O HETATM 1646 O HOH A 436 3.637 19.126 28.092 1.00 29.61 O HETATM 1647 O HOH A 437 0.315 23.994 -6.108 1.00 26.82 O HETATM 1648 O HOH A 438 12.253 28.696 0.106 1.00 26.96 O HETATM 1649 O HOH A 439 7.458 31.302 0.954 1.00 34.64 O HETATM 1650 O HOH A 440 4.100 29.756 3.171 1.00 30.06 O HETATM 1651 O HOH A 441 3.820 23.219 30.841 1.00 37.56 O HETATM 1652 O HOH A 442 -15.070 15.070 30.410 0.49 25.02 O HETATM 1653 O HOH A 443 1.376 6.814 19.579 1.00 31.02 O HETATM 1654 O HOH A 444 13.921 57.539 1.176 1.00 29.08 O HETATM 1655 O HOH A 445 -10.997 38.933 13.369 1.00 39.53 O HETATM 1656 O HOH A 446 -1.978 42.695 -1.220 1.00 22.74 O HETATM 1657 O HOH A 447 -2.040 28.763 28.223 1.00 19.53 O HETATM 1658 O HOH A 448 -4.635 4.823 17.756 1.00 29.59 O HETATM 1659 O HOH A 449 5.487 4.184 12.205 1.00 34.51 O HETATM 1660 O HOH A 450 -19.976 21.615 15.450 1.00 33.65 O HETATM 1661 O HOH A 451 -27.336 1.907 8.924 1.00 28.22 O CONECT 182 1506 CONECT 237 1503 CONECT 238 1503 CONECT 685 1501 CONECT 1307 1504 CONECT 1376 1502 CONECT 1377 1502 CONECT 1447 1505 CONECT 1501 685 CONECT 1502 1376 1377 1641 CONECT 1503 237 238 1589 1632 CONECT 1503 1633 CONECT 1504 1307 CONECT 1505 1447 1628 CONECT 1506 182 CONECT 1507 1508 1509 1510 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1507 CONECT 1589 1503 CONECT 1628 1505 CONECT 1632 1503 CONECT 1633 1503 CONECT 1641 1502 END