USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE INHIBITOR 19-SEP-91 1BBI TITLE THREE-DIMENSIONAL STRUCTURE OF SOYBEAN TRYPSIN(SLASH)CHYMOTRYPSIN TITLE 2 BOWMAN-BIRK INHIBITOR IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN/CHYMOTRYPSIN BOWMAN-BIRK INHIBITOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; SOURCE 3 ORGANISM_COMMON: SOYBEAN; SOURCE 4 ORGANISM_TAXID: 3847 KEYWDS SERINE PROTEASE INHIBITOR, HYDROLASE INHIBITOR EXPDTA SOLUTION NMR AUTHOR M.H.WERNER,D.E.WEMMER REVDAT 4 09-MAY-12 1BBI 1 SHEET VERSN REVDAT 3 24-FEB-09 1BBI 1 VERSN REVDAT 2 01-APR-03 1BBI 1 JRNL REVDAT 1 31-OCT-93 1BBI 0 JRNL AUTH M.H.WERNER,D.E.WEMMER JRNL TITL THREE-DIMENSIONAL STRUCTURE OF SOYBEAN TRYPSIN/CHYMOTRYPSIN JRNL TITL 2 BOWMAN-BIRK INHIBITOR IN SOLUTION. JRNL REF BIOCHEMISTRY V. 31 999 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1734975 JRNL DOI 10.1021/BI00119A008 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.H.WERNER,D.E.WEMMER REMARK 1 TITL 1H ASSIGNMENTS AND SECONDARY STRUCTURE DETERMINATION OF THE REMARK 1 TITL 2 SOYBEAN TRYPSIN(SLASH)CHYMOTRYPSIN BOWMAN-BIRK INHIBITOR REMARK 1 REF BIOCHEMISTRY V. 30 3356 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BBI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 33 CG HIS A 33 ND1 -0.118 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 CYS A 8 -151.13 -135.03 REMARK 500 ASP A 10 -76.64 -143.86 REMARK 500 ASP A 26 -73.15 -37.60 REMARK 500 LEU A 29 36.60 -86.83 REMARK 500 ASN A 30 -88.34 -162.72 REMARK 500 CYS A 32 -159.50 -98.31 REMARK 500 HIS A 33 -142.03 -137.37 REMARK 500 SER A 38 64.72 -112.26 REMARK 500 LEU A 43 87.21 -67.30 REMARK 500 PHE A 57 -6.50 -153.33 REMARK 500 CYS A 58 103.03 55.37 REMARK 500 TYR A 59 178.73 -47.94 REMARK 500 PRO A 61 157.50 -43.32 REMARK 500 CYS A 62 -153.39 -94.63 REMARK 500 LYS A 63 65.87 63.02 REMARK 500 PRO A 64 -155.72 -56.05 REMARK 500 SER A 65 -146.35 68.12 REMARK 500 GLU A 66 -158.90 -60.99 REMARK 500 ASP A 67 -121.30 -78.63 REMARK 500 ASP A 68 -171.84 -53.58 REMARK 500 LYS A 69 -55.54 -154.11 REMARK 500 GLU A 70 -76.89 -82.69 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 23 0.31 SIDE CHAIN REMARK 500 ARG A 28 0.25 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: T1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 REMARK 800 SITE_IDENTIFIER: C1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2BBI RELATED DB: PDB DBREF 1BBI A 1 71 UNP P01055 IBB1_SOYBN 40 110 SEQRES 1 A 71 ASP ASP GLU SER SER LYS PRO CYS CYS ASP GLN CYS ALA SEQRES 2 A 71 CYS THR LYS SER ASN PRO PRO GLN CYS ARG CYS SER ASP SEQRES 3 A 71 MET ARG LEU ASN SER CYS HIS SER ALA CYS LYS SER CYS SEQRES 4 A 71 ILE CYS ALA LEU SER TYR PRO ALA GLN CYS PHE CYS VAL SEQRES 5 A 71 ASP ILE THR ASP PHE CYS TYR GLU PRO CYS LYS PRO SER SEQRES 6 A 71 GLU ASP ASP LYS GLU ASN SHEET 1 A 2 CYS A 12 THR A 15 0 SHEET 2 A 2 GLN A 21 CYS A 24 -1 O GLN A 21 N THR A 15 SHEET 1 B 3 MET A 27 ARG A 28 0 SHEET 2 B 3 GLN A 48 CYS A 51 -1 O CYS A 49 N ARG A 28 SHEET 3 B 3 CYS A 39 ALA A 42 -1 N ALA A 42 O GLN A 48 SSBOND *** CYS A 8 CYS A 62 1555 1555 2.02 SSBOND *** CYS A 9 CYS A 24 1555 1555 2.01 SSBOND *** CYS A 12 CYS A 58 1555 1555 2.01 SSBOND *** CYS A 14 CYS A 22 1555 1555 2.03 SSBOND *** CYS A 32 CYS A 39 1555 1555 2.01 SSBOND *** CYS A 36 CYS A 51 1555 1555 2.01 SSBOND *** CYS A 36 CYS A 39 1555 1555 2.99 SSBOND *** CYS A 41 CYS A 49 1555 1555 2.02 CISPEP 1 ASN A 18 PRO A 19 0 -0.47 CISPEP 2 TYR A 45 PRO A 46 0 -0.08 SITE *** T1 2 LYS A 16 SER A 17 SITE *** C1 2 LEU A 43 SER A 44 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 SER OG : rot 80:sc= 0.116 USER MOD Single : A 1 ASP N :NH3+ -167:sc= 0.0799 (180deg=-0.248) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0798 F(o=-0.71,f=-0.08) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 38:sc= 0.26 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 25 SER OG : rot -59:sc= -1.48 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -5.22! C(o=-5.2!,f=-8.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.122 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0575 K(o=-0.058,f=-1.3!) USER MOD Single : A 55 THR OG1 : rot 122:sc= -0.514! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 65 SER OG : rot 180:sc= -0.762 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.0741 F(o=-1.5!,f=0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 13.105 6.214 -10.924 1.00 0.00 N ATOM 2 CA ASP A 1 14.271 6.434 -11.815 1.00 0.00 C ATOM 3 C ASP A 1 15.563 6.371 -11.011 1.00 0.00 C ATOM 4 O ASP A 1 16.609 6.047 -11.537 1.00 0.00 O ATOM 5 CB ASP A 1 14.173 7.818 -12.471 1.00 0.00 C ATOM 6 CG ASP A 1 14.664 8.880 -11.486 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.082 8.938 -10.417 1.00 0.00 O ATOM 8 OD2 ASP A 1 15.595 9.576 -11.860 1.00 0.00 O ATOM 0 H1 ASP A 1 12.256 6.039 -11.499 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.285 5.391 -10.314 1.00 0.00 H new ATOM 0 H3 ASP A 1 12.955 7.057 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 1 14.272 5.657 -12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 1 14.772 7.845 -13.381 1.00 0.00 H new ATOM 0 HB3 ASP A 1 13.143 8.023 -12.761 1.00 0.00 H new ATOM 9 N ASP A 2 15.468 6.684 -9.748 1.00 0.00 N ATOM 10 CA ASP A 2 16.683 6.646 -8.895 1.00 0.00 C ATOM 11 C ASP A 2 16.852 5.275 -8.252 1.00 0.00 C ATOM 12 O ASP A 2 16.656 5.115 -7.065 1.00 0.00 O ATOM 13 CB ASP A 2 16.529 7.697 -7.786 1.00 0.00 C ATOM 14 CG ASP A 2 15.083 7.699 -7.287 1.00 0.00 C ATOM 15 OD1 ASP A 2 14.282 8.335 -7.952 1.00 0.00 O ATOM 16 OD2 ASP A 2 14.860 7.064 -6.269 1.00 0.00 O ATOM 0 H ASP A 2 14.608 6.962 -9.275 1.00 0.00 H new ATOM 0 HA ASP A 2 17.558 6.852 -9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.209 7.476 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.796 8.684 -8.165 1.00 0.00 H new ATOM 17 N GLU A 3 17.216 4.308 -9.050 1.00 0.00 N ATOM 18 CA GLU A 3 17.403 2.941 -8.502 1.00 0.00 C ATOM 19 C GLU A 3 18.821 2.762 -7.972 1.00 0.00 C ATOM 20 O GLU A 3 19.221 1.671 -7.613 1.00 0.00 O ATOM 21 CB GLU A 3 17.165 1.928 -9.632 1.00 0.00 C ATOM 22 CG GLU A 3 15.735 2.085 -10.155 1.00 0.00 C ATOM 23 CD GLU A 3 15.239 0.738 -10.683 1.00 0.00 C ATOM 24 OE1 GLU A 3 15.886 0.240 -11.590 1.00 0.00 O ATOM 25 OE2 GLU A 3 14.240 0.282 -10.150 1.00 0.00 O ATOM 0 H GLU A 3 17.390 4.407 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 3 16.701 2.785 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.880 2.090 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.322 0.913 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.081 2.439 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.705 2.833 -10.948 1.00 0.00 H new ATOM 26 N SER A 4 19.558 3.839 -7.928 1.00 0.00 N ATOM 27 CA SER A 4 20.950 3.748 -7.425 1.00 0.00 C ATOM 28 C SER A 4 20.998 3.983 -5.924 1.00 0.00 C ATOM 29 O SER A 4 21.976 3.672 -5.272 1.00 0.00 O ATOM 30 CB SER A 4 21.788 4.826 -8.120 1.00 0.00 C ATOM 31 OG SER A 4 22.411 5.525 -7.052 1.00 0.00 O ATOM 0 H SER A 4 19.256 4.769 -8.217 1.00 0.00 H new ATOM 0 HA SER A 4 21.340 2.752 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.525 4.386 -8.792 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.165 5.489 -8.720 1.00 0.00 H new ATOM 0 HG SER A 4 22.975 6.240 -7.414 1.00 0.00 H new ATOM 32 N SER A 5 19.937 4.526 -5.404 1.00 0.00 N ATOM 33 CA SER A 5 19.886 4.796 -3.945 1.00 0.00 C ATOM 34 C SER A 5 19.163 3.673 -3.220 1.00 0.00 C ATOM 35 O SER A 5 19.217 3.568 -2.012 1.00 0.00 O ATOM 36 CB SER A 5 19.120 6.106 -3.720 1.00 0.00 C ATOM 37 OG SER A 5 20.029 6.923 -2.997 1.00 0.00 O ATOM 0 H SER A 5 19.103 4.794 -5.926 1.00 0.00 H new ATOM 0 HA SER A 5 20.902 4.868 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.835 6.568 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.202 5.938 -3.158 1.00 0.00 H new ATOM 0 HG SER A 5 19.613 7.791 -2.812 1.00 0.00 H new ATOM 38 N LYS A 6 18.498 2.855 -3.978 1.00 0.00 N ATOM 39 CA LYS A 6 17.759 1.729 -3.368 1.00 0.00 C ATOM 40 C LYS A 6 18.651 1.000 -2.327 1.00 0.00 C ATOM 41 O LYS A 6 19.705 0.512 -2.681 1.00 0.00 O ATOM 42 CB LYS A 6 17.429 0.738 -4.496 1.00 0.00 C ATOM 43 CG LYS A 6 16.351 -0.234 -4.019 1.00 0.00 C ATOM 44 CD LYS A 6 14.984 0.274 -4.478 1.00 0.00 C ATOM 45 CE LYS A 6 13.894 -0.629 -3.899 1.00 0.00 C ATOM 46 NZ LYS A 6 12.884 -0.957 -4.943 1.00 0.00 N ATOM 0 H LYS A 6 18.435 2.919 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 6 16.861 2.097 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.084 1.277 -5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.325 0.190 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.537 -1.230 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.375 -0.320 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.835 1.302 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.930 0.277 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.339 -1.546 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.410 -0.132 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.150 -1.571 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.447 -0.080 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.348 -1.450 -5.732 1.00 0.00 H new ATOM 47 N PRO A 7 18.233 0.926 -1.050 1.00 0.00 N ATOM 48 CA PRO A 7 19.054 0.244 -0.050 1.00 0.00 C ATOM 49 C PRO A 7 19.288 -1.207 -0.440 1.00 0.00 C ATOM 50 O PRO A 7 18.432 -1.830 -1.041 1.00 0.00 O ATOM 51 CB PRO A 7 18.243 0.307 1.256 1.00 0.00 C ATOM 52 CG PRO A 7 16.947 1.115 0.963 1.00 0.00 C ATOM 53 CD PRO A 7 16.959 1.477 -0.531 1.00 0.00 C ATOM 0 HA PRO A 7 20.034 0.712 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.999 -0.697 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.823 0.786 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.064 0.525 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 7 16.909 2.016 1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.102 1.045 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 7 16.908 2.556 -0.676 1.00 0.00 H new ATOM 54 N CYS A 8 20.441 -1.717 -0.095 1.00 0.00 N ATOM 55 CA CYS A 8 20.745 -3.124 -0.440 1.00 0.00 C ATOM 56 C CYS A 8 21.360 -3.869 0.717 1.00 0.00 C ATOM 57 O CYS A 8 21.117 -3.555 1.865 1.00 0.00 O ATOM 58 CB CYS A 8 21.714 -3.138 -1.606 1.00 0.00 C ATOM 59 SG CYS A 8 23.396 -2.540 -1.325 1.00 0.00 S ATOM 0 H CYS A 8 21.176 -1.219 0.407 1.00 0.00 H new ATOM 0 HA CYS A 8 19.810 -3.621 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.782 -4.163 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.278 -2.542 -2.408 1.00 0.00 H new ATOM 60 N CYS A 9 22.164 -4.841 0.399 1.00 0.00 N ATOM 61 CA CYS A 9 22.805 -5.625 1.492 1.00 0.00 C ATOM 62 C CYS A 9 23.970 -6.478 1.004 1.00 0.00 C ATOM 63 O CYS A 9 24.158 -6.673 -0.168 1.00 0.00 O ATOM 64 CB CYS A 9 21.740 -6.585 2.034 1.00 0.00 C ATOM 65 SG CYS A 9 21.212 -6.385 3.736 1.00 0.00 S ATOM 0 H CYS A 9 22.403 -5.125 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 9 23.188 -4.925 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 9 20.858 -6.498 1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.117 -7.601 1.919 1.00 0.00 H new ATOM 66 N ASP A 10 24.732 -6.964 1.936 1.00 0.00 N ATOM 67 CA ASP A 10 25.890 -7.813 1.581 1.00 0.00 C ATOM 68 C ASP A 10 26.023 -8.891 2.644 1.00 0.00 C ATOM 69 O ASP A 10 25.662 -10.030 2.432 1.00 0.00 O ATOM 70 CB ASP A 10 27.160 -6.950 1.570 1.00 0.00 C ATOM 71 CG ASP A 10 27.466 -6.513 0.136 1.00 0.00 C ATOM 72 OD1 ASP A 10 26.762 -5.628 -0.322 1.00 0.00 O ATOM 73 OD2 ASP A 10 28.387 -7.087 -0.420 1.00 0.00 O ATOM 0 H ASP A 10 24.600 -6.807 2.935 1.00 0.00 H new ATOM 0 HA ASP A 10 25.751 -8.263 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.024 -6.076 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.999 -7.514 1.977 1.00 0.00 H new ATOM 74 N GLN A 11 26.545 -8.500 3.775 1.00 0.00 N ATOM 75 CA GLN A 11 26.714 -9.466 4.884 1.00 0.00 C ATOM 76 C GLN A 11 25.555 -9.269 5.839 1.00 0.00 C ATOM 77 O GLN A 11 25.539 -8.340 6.623 1.00 0.00 O ATOM 78 CB GLN A 11 28.020 -9.169 5.621 1.00 0.00 C ATOM 79 CG GLN A 11 29.152 -9.012 4.604 1.00 0.00 C ATOM 80 CD GLN A 11 29.229 -10.270 3.734 1.00 0.00 C ATOM 81 OE1 GLN A 11 28.934 -10.185 2.465 1.00 0.00 O flip ATOM 82 NE2 GLN A 11 29.558 -11.343 4.203 1.00 0.00 N flip ATOM 0 H GLN A 11 26.860 -7.551 3.974 1.00 0.00 H new ATOM 0 HA GLN A 11 26.740 -10.487 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.918 -8.259 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.250 -9.976 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.977 -8.135 3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 11 30.100 -8.853 5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 11 29.790 -11.417 5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 11 29.602 -12.169 3.606 1.00 0.00 H new ATOM 83 N CYS A 12 24.601 -10.136 5.750 1.00 0.00 N ATOM 84 CA CYS A 12 23.423 -10.020 6.640 1.00 0.00 C ATOM 85 C CYS A 12 23.587 -10.853 7.911 1.00 0.00 C ATOM 86 O CYS A 12 24.271 -11.857 7.916 1.00 0.00 O ATOM 87 CB CYS A 12 22.215 -10.539 5.861 1.00 0.00 C ATOM 88 SG CYS A 12 20.899 -9.354 5.508 1.00 0.00 S ATOM 0 H CYS A 12 24.583 -10.922 5.100 1.00 0.00 H new ATOM 0 HA CYS A 12 23.302 -8.980 6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.571 -10.943 4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.783 -11.369 6.419 1.00 0.00 H new ATOM 89 N ALA A 13 22.951 -10.415 8.968 1.00 0.00 N ATOM 90 CA ALA A 13 23.054 -11.163 10.249 1.00 0.00 C ATOM 91 C ALA A 13 21.911 -10.788 11.189 1.00 0.00 C ATOM 92 O ALA A 13 21.482 -9.649 11.212 1.00 0.00 O ATOM 93 CB ALA A 13 24.382 -10.788 10.915 1.00 0.00 C ATOM 0 H ALA A 13 22.370 -9.577 8.996 1.00 0.00 H new ATOM 0 HA ALA A 13 23.002 -12.233 10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.480 -11.325 11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.208 -11.057 10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.404 -9.715 11.105 1.00 0.00 H new ATOM 94 N CYS A 14 21.436 -11.755 11.953 1.00 0.00 N ATOM 95 CA CYS A 14 20.319 -11.467 12.900 1.00 0.00 C ATOM 96 C CYS A 14 20.671 -11.870 14.321 1.00 0.00 C ATOM 97 O CYS A 14 21.365 -12.842 14.547 1.00 0.00 O ATOM 98 CB CYS A 14 19.072 -12.241 12.454 1.00 0.00 C ATOM 99 SG CYS A 14 17.615 -11.274 11.960 1.00 0.00 S ATOM 0 H CYS A 14 21.774 -12.717 11.956 1.00 0.00 H new ATOM 0 HA CYS A 14 20.132 -10.393 12.888 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.354 -12.877 11.615 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.777 -12.901 13.269 1.00 0.00 H new ATOM 100 N THR A 15 20.176 -11.101 15.253 1.00 0.00 N ATOM 101 CA THR A 15 20.451 -11.392 16.680 1.00 0.00 C ATOM 102 C THR A 15 19.260 -12.090 17.321 1.00 0.00 C ATOM 103 O THR A 15 18.123 -11.821 16.982 1.00 0.00 O ATOM 104 CB THR A 15 20.696 -10.059 17.404 1.00 0.00 C ATOM 105 OG1 THR A 15 22.100 -9.899 17.425 1.00 0.00 O ATOM 106 CG2 THR A 15 20.297 -10.150 18.885 1.00 0.00 C ATOM 0 H THR A 15 19.592 -10.282 15.082 1.00 0.00 H new ATOM 0 HA THR A 15 21.322 -12.044 16.756 1.00 0.00 H new ATOM 0 HB THR A 15 20.136 -9.266 16.909 1.00 0.00 H new ATOM 0 HG1 THR A 15 22.327 -9.059 17.876 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.482 -9.192 19.371 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.238 -10.398 18.962 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.888 -10.925 19.374 1.00 0.00 H new ATOM 107 N LYS A 16 19.541 -12.971 18.237 1.00 0.00 N ATOM 108 CA LYS A 16 18.440 -13.701 18.911 1.00 0.00 C ATOM 109 C LYS A 16 17.569 -12.750 19.731 1.00 0.00 C ATOM 110 O LYS A 16 17.970 -12.281 20.777 1.00 0.00 O ATOM 111 CB LYS A 16 19.062 -14.743 19.851 1.00 0.00 C ATOM 112 CG LYS A 16 20.304 -15.339 19.180 1.00 0.00 C ATOM 113 CD LYS A 16 20.659 -16.664 19.857 1.00 0.00 C ATOM 114 CE LYS A 16 21.852 -17.288 19.133 1.00 0.00 C ATOM 115 NZ LYS A 16 21.432 -18.518 18.405 1.00 0.00 N ATOM 0 H LYS A 16 20.482 -13.215 18.546 1.00 0.00 H new ATOM 0 HA LYS A 16 17.812 -14.175 18.156 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.332 -14.281 20.800 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.340 -15.529 20.073 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.116 -15.499 18.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.140 -14.644 19.255 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.901 -16.498 20.907 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.806 -17.341 19.830 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.276 -16.570 18.432 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.634 -17.532 19.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.253 -18.931 17.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.048 -19.208 19.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.701 -18.275 17.706 1.00 0.00 H new ATOM 116 N SER A 17 16.388 -12.482 19.232 1.00 0.00 N ATOM 117 CA SER A 17 15.469 -11.566 19.963 1.00 0.00 C ATOM 118 C SER A 17 14.011 -11.925 19.666 1.00 0.00 C ATOM 119 O SER A 17 13.733 -12.955 19.083 1.00 0.00 O ATOM 120 CB SER A 17 15.749 -10.125 19.500 1.00 0.00 C ATOM 121 OG SER A 17 16.600 -9.598 20.505 1.00 0.00 O ATOM 0 H SER A 17 16.025 -12.857 18.355 1.00 0.00 H new ATOM 0 HA SER A 17 15.636 -11.660 21.036 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.229 -10.107 18.521 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.828 -9.548 19.414 1.00 0.00 H new ATOM 0 HG SER A 17 17.221 -10.294 20.806 1.00 0.00 H new ATOM 122 N ASN A 18 13.100 -11.074 20.071 1.00 0.00 N ATOM 123 CA ASN A 18 11.668 -11.372 19.812 1.00 0.00 C ATOM 124 C ASN A 18 10.823 -10.073 19.688 1.00 0.00 C ATOM 125 O ASN A 18 10.421 -9.518 20.691 1.00 0.00 O ATOM 126 CB ASN A 18 11.137 -12.162 21.017 1.00 0.00 C ATOM 127 CG ASN A 18 9.673 -12.540 20.770 1.00 0.00 C ATOM 128 OD1 ASN A 18 8.766 -11.954 21.327 1.00 0.00 O ATOM 129 ND2 ASN A 18 9.402 -13.512 19.942 1.00 0.00 N ATOM 0 H ASN A 18 13.287 -10.200 20.562 1.00 0.00 H new ATOM 0 HA ASN A 18 11.589 -11.927 18.877 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.736 -13.060 21.170 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.222 -11.564 21.924 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.433 -13.776 19.765 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.159 -14.007 19.472 1.00 0.00 H new ATOM 130 N PRO A 19 10.555 -9.598 18.459 1.00 0.00 N ATOM 131 CA PRO A 19 11.014 -10.215 17.196 1.00 0.00 C ATOM 132 C PRO A 19 12.545 -10.176 17.081 1.00 0.00 C ATOM 133 O PRO A 19 13.195 -9.447 17.798 1.00 0.00 O ATOM 134 CB PRO A 19 10.410 -9.329 16.087 1.00 0.00 C ATOM 135 CG PRO A 19 9.630 -8.176 16.775 1.00 0.00 C ATOM 136 CD PRO A 19 9.745 -8.386 18.291 1.00 0.00 C ATOM 0 HA PRO A 19 10.711 -11.260 17.134 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.196 -8.930 15.446 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.746 -9.913 15.450 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.043 -7.209 16.489 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.585 -8.181 16.465 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.217 -7.529 18.771 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.762 -8.505 18.746 1.00 0.00 H new ATOM 137 N PRO A 20 13.099 -10.963 16.171 1.00 0.00 N ATOM 138 CA PRO A 20 14.548 -10.998 15.979 1.00 0.00 C ATOM 139 C PRO A 20 15.063 -9.656 15.463 1.00 0.00 C ATOM 140 O PRO A 20 14.334 -8.914 14.835 1.00 0.00 O ATOM 141 CB PRO A 20 14.777 -12.074 14.896 1.00 0.00 C ATOM 142 CG PRO A 20 13.380 -12.507 14.370 1.00 0.00 C ATOM 143 CD PRO A 20 12.330 -11.861 15.286 1.00 0.00 C ATOM 0 HA PRO A 20 15.068 -11.210 16.913 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.387 -11.678 14.084 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.313 -12.928 15.310 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.241 -12.185 13.338 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.284 -13.593 14.381 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.589 -11.308 14.709 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.790 -12.614 15.860 1.00 0.00 H new ATOM 144 N GLN A 21 16.307 -9.372 15.737 1.00 0.00 N ATOM 145 CA GLN A 21 16.890 -8.090 15.269 1.00 0.00 C ATOM 146 C GLN A 21 17.720 -8.377 14.039 1.00 0.00 C ATOM 147 O GLN A 21 18.182 -9.488 13.883 1.00 0.00 O ATOM 148 CB GLN A 21 17.805 -7.548 16.374 1.00 0.00 C ATOM 149 CG GLN A 21 17.106 -6.393 17.091 1.00 0.00 C ATOM 150 CD GLN A 21 17.917 -6.009 18.331 1.00 0.00 C ATOM 151 OE1 GLN A 21 19.131 -6.001 18.314 1.00 0.00 O ATOM 152 NE2 GLN A 21 17.285 -5.685 19.425 1.00 0.00 N ATOM 0 H GLN A 21 16.941 -9.973 16.264 1.00 0.00 H new ATOM 0 HA GLN A 21 16.110 -7.364 15.039 1.00 0.00 H new ATOM 0 HB2 GLN A 21 18.044 -8.340 17.084 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.748 -7.208 15.946 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.013 -5.537 16.423 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.096 -6.685 17.378 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.265 -5.690 19.445 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.811 -5.427 20.260 1.00 0.00 H new ATOM 153 N CYS A 22 17.920 -7.411 13.174 1.00 0.00 N ATOM 154 CA CYS A 22 18.739 -7.750 11.984 1.00 0.00 C ATOM 155 C CYS A 22 19.457 -6.582 11.352 1.00 0.00 C ATOM 156 O CYS A 22 18.862 -5.670 10.818 1.00 0.00 O ATOM 157 CB CYS A 22 17.833 -8.413 10.944 1.00 0.00 C ATOM 158 SG CYS A 22 18.263 -10.105 10.438 1.00 0.00 S ATOM 0 H CYS A 22 17.571 -6.455 13.237 1.00 0.00 H new ATOM 0 HA CYS A 22 19.525 -8.419 12.333 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.817 -8.425 11.338 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.823 -7.785 10.053 1.00 0.00 H new ATOM 159 N ARG A 23 20.751 -6.675 11.424 1.00 0.00 N ATOM 160 CA ARG A 23 21.620 -5.631 10.855 1.00 0.00 C ATOM 161 C ARG A 23 22.331 -6.238 9.662 1.00 0.00 C ATOM 162 O ARG A 23 22.531 -7.436 9.619 1.00 0.00 O ATOM 163 CB ARG A 23 22.650 -5.202 11.936 1.00 0.00 C ATOM 164 CG ARG A 23 24.045 -4.988 11.301 1.00 0.00 C ATOM 165 CD ARG A 23 24.994 -4.344 12.324 1.00 0.00 C ATOM 166 NE ARG A 23 25.689 -5.422 13.082 1.00 0.00 N ATOM 167 CZ ARG A 23 26.129 -5.182 14.286 1.00 0.00 C ATOM 168 NH1 ARG A 23 25.285 -5.198 15.279 1.00 0.00 N ATOM 169 NH2 ARG A 23 27.398 -4.934 14.457 1.00 0.00 N ATOM 0 H ARG A 23 21.247 -7.450 11.864 1.00 0.00 H new ATOM 0 HA ARG A 23 21.050 -4.755 10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.318 -4.282 12.418 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.710 -5.965 12.712 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.451 -5.942 10.966 1.00 0.00 H new ATOM 0 HG3 ARG A 23 23.959 -4.351 10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.722 -3.711 11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.435 -3.704 13.006 1.00 0.00 H new ATOM 0 HE ARG A 23 25.820 -6.342 12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 23 24.299 -5.396 15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 23 25.610 -5.013 16.228 1.00 0.00 H new ATOM 0 HH21 ARG A 23 28.029 -4.930 13.656 1.00 0.00 H new ATOM 0 HH22 ARG A 23 27.759 -4.744 15.392 1.00 0.00 H new ATOM 170 N CYS A 24 22.694 -5.430 8.720 1.00 0.00 N ATOM 171 CA CYS A 24 23.388 -5.987 7.538 1.00 0.00 C ATOM 172 C CYS A 24 24.442 -5.038 7.013 1.00 0.00 C ATOM 173 O CYS A 24 24.613 -3.952 7.533 1.00 0.00 O ATOM 174 CB CYS A 24 22.336 -6.219 6.470 1.00 0.00 C ATOM 175 SG CYS A 24 22.894 -6.599 4.808 1.00 0.00 S ATOM 0 H CYS A 24 22.544 -4.421 8.714 1.00 0.00 H new ATOM 0 HA CYS A 24 23.894 -6.912 7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.697 -7.037 6.803 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.711 -5.327 6.417 1.00 0.00 H new ATOM 176 N SER A 25 25.129 -5.455 5.977 1.00 0.00 N ATOM 177 CA SER A 25 26.180 -4.573 5.419 1.00 0.00 C ATOM 178 C SER A 25 27.025 -4.075 6.569 1.00 0.00 C ATOM 179 O SER A 25 27.394 -2.920 6.644 1.00 0.00 O ATOM 180 CB SER A 25 25.508 -3.391 4.727 1.00 0.00 C ATOM 181 OG SER A 25 26.451 -2.982 3.745 1.00 0.00 O ATOM 0 H SER A 25 25.006 -6.352 5.507 1.00 0.00 H new ATOM 0 HA SER A 25 26.801 -5.108 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.560 -3.681 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.292 -2.587 5.431 1.00 0.00 H new ATOM 0 HG SER A 25 27.292 -2.733 4.183 1.00 0.00 H new ATOM 182 N ASP A 26 27.302 -4.988 7.443 1.00 0.00 N ATOM 183 CA ASP A 26 28.110 -4.686 8.634 1.00 0.00 C ATOM 184 C ASP A 26 29.244 -3.704 8.355 1.00 0.00 C ATOM 185 O ASP A 26 29.174 -2.552 8.750 1.00 0.00 O ATOM 186 CB ASP A 26 28.703 -6.008 9.121 1.00 0.00 C ATOM 187 CG ASP A 26 27.914 -6.505 10.335 1.00 0.00 C ATOM 188 OD1 ASP A 26 26.710 -6.634 10.183 1.00 0.00 O ATOM 189 OD2 ASP A 26 28.560 -6.730 11.345 1.00 0.00 O ATOM 0 H ASP A 26 26.991 -5.957 7.376 1.00 0.00 H new ATOM 0 HA ASP A 26 27.468 -4.215 9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.669 -6.750 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.752 -5.873 9.386 1.00 0.00 H new ATOM 190 N MET A 27 30.265 -4.171 7.676 1.00 0.00 N ATOM 191 CA MET A 27 31.415 -3.268 7.371 1.00 0.00 C ATOM 192 C MET A 27 31.418 -2.772 5.934 1.00 0.00 C ATOM 193 O MET A 27 30.842 -3.373 5.050 1.00 0.00 O ATOM 194 CB MET A 27 32.719 -4.042 7.592 1.00 0.00 C ATOM 195 CG MET A 27 32.484 -5.190 8.573 1.00 0.00 C ATOM 196 SD MET A 27 31.799 -6.726 7.913 1.00 0.00 S ATOM 197 CE MET A 27 32.255 -7.785 9.310 1.00 0.00 C ATOM 0 H MET A 27 30.350 -5.125 7.325 1.00 0.00 H new ATOM 0 HA MET A 27 31.323 -2.404 8.029 1.00 0.00 H new ATOM 0 HB2 MET A 27 33.085 -4.433 6.643 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.488 -3.373 7.979 1.00 0.00 H new ATOM 0 HG2 MET A 27 33.435 -5.424 9.050 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.814 -4.832 9.355 1.00 0.00 H new ATOM 0 HE1 MET A 27 31.923 -8.805 9.117 1.00 0.00 H new ATOM 0 HE2 MET A 27 33.338 -7.774 9.437 1.00 0.00 H new ATOM 0 HE3 MET A 27 31.779 -7.414 10.218 1.00 0.00 H new ATOM 198 N ARG A 28 32.098 -1.675 5.750 1.00 0.00 N ATOM 199 CA ARG A 28 32.204 -1.056 4.404 1.00 0.00 C ATOM 200 C ARG A 28 33.607 -0.466 4.238 1.00 0.00 C ATOM 201 O ARG A 28 34.074 0.264 5.089 1.00 0.00 O ATOM 202 CB ARG A 28 31.165 0.093 4.261 1.00 0.00 C ATOM 203 CG ARG A 28 30.338 0.270 5.557 1.00 0.00 C ATOM 204 CD ARG A 28 29.273 -0.834 5.662 1.00 0.00 C ATOM 205 NE ARG A 28 27.924 -0.212 5.560 1.00 0.00 N ATOM 206 CZ ARG A 28 27.396 -0.020 4.382 1.00 0.00 C ATOM 207 NH1 ARG A 28 28.090 0.611 3.475 1.00 0.00 N ATOM 208 NH2 ARG A 28 26.193 -0.463 4.151 1.00 0.00 N ATOM 0 H ARG A 28 32.592 -1.175 6.489 1.00 0.00 H new ATOM 0 HA ARG A 28 32.014 -1.816 3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 28 31.680 1.024 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.496 -0.121 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 28 30.996 0.234 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 28 29.859 1.249 5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 28 29.411 -1.568 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 29.373 -1.366 6.608 1.00 0.00 H new ATOM 0 HE ARG A 28 27.418 0.061 6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 28 29.029 0.945 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 28 27.694 0.770 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 28 25.680 -0.951 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 28 25.764 -0.322 3.236 1.00 0.00 H new ATOM 209 N LEU A 29 34.256 -0.786 3.150 1.00 0.00 N ATOM 210 CA LEU A 29 35.626 -0.244 2.938 1.00 0.00 C ATOM 211 C LEU A 29 35.586 1.130 2.266 1.00 0.00 C ATOM 212 O LEU A 29 36.416 1.472 1.446 1.00 0.00 O ATOM 213 CB LEU A 29 36.392 -1.237 2.056 1.00 0.00 C ATOM 214 CG LEU A 29 37.668 -1.671 2.783 1.00 0.00 C ATOM 215 CD1 LEU A 29 38.475 -2.603 1.878 1.00 0.00 C ATOM 216 CD2 LEU A 29 38.509 -0.436 3.107 1.00 0.00 C ATOM 0 H LEU A 29 33.901 -1.391 2.409 1.00 0.00 H new ATOM 0 HA LEU A 29 36.120 -0.118 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 29 35.769 -2.105 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.642 -0.776 1.100 1.00 0.00 H new ATOM 0 HG LEU A 29 37.404 -2.190 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 29 39.384 -2.913 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 37.877 -3.482 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.740 -2.079 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 29 39.418 -0.741 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.773 0.078 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 29 37.936 0.237 3.745 1.00 0.00 H new ATOM 217 N ASN A 30 34.617 1.881 2.633 1.00 0.00 N ATOM 218 CA ASN A 30 34.470 3.240 2.051 1.00 0.00 C ATOM 219 C ASN A 30 33.546 4.096 2.907 1.00 0.00 C ATOM 220 O ASN A 30 33.983 4.799 3.796 1.00 0.00 O ATOM 221 CB ASN A 30 33.869 3.109 0.646 1.00 0.00 C ATOM 222 CG ASN A 30 35.002 2.989 -0.375 1.00 0.00 C ATOM 223 OD1 ASN A 30 35.831 3.869 -0.508 1.00 0.00 O ATOM 224 ND2 ASN A 30 35.075 1.918 -1.117 1.00 0.00 N ATOM 0 H ASN A 30 33.906 1.622 3.317 1.00 0.00 H new ATOM 0 HA ASN A 30 35.449 3.717 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 30 33.222 2.233 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 30 33.250 3.977 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 30 35.824 1.823 -1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 30 34.383 1.176 -1.011 1.00 0.00 H new ATOM 225 N SER A 31 32.276 4.016 2.615 1.00 0.00 N ATOM 226 CA SER A 31 31.289 4.807 3.386 1.00 0.00 C ATOM 227 C SER A 31 29.895 4.217 3.217 1.00 0.00 C ATOM 228 O SER A 31 29.716 3.241 2.518 1.00 0.00 O ATOM 229 CB SER A 31 31.291 6.246 2.848 1.00 0.00 C ATOM 230 OG SER A 31 30.613 6.151 1.607 1.00 0.00 O ATOM 0 H SER A 31 31.884 3.435 1.874 1.00 0.00 H new ATOM 0 HA SER A 31 31.556 4.790 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.782 6.927 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 31 32.306 6.623 2.720 1.00 0.00 H new ATOM 0 HG SER A 31 30.567 7.037 1.191 1.00 0.00 H new ATOM 231 N CYS A 32 28.932 4.824 3.855 1.00 0.00 N ATOM 232 CA CYS A 32 27.542 4.309 3.741 1.00 0.00 C ATOM 233 C CYS A 32 26.739 5.090 2.712 1.00 0.00 C ATOM 234 O CYS A 32 27.294 5.740 1.849 1.00 0.00 O ATOM 235 CB CYS A 32 26.864 4.463 5.103 1.00 0.00 C ATOM 236 SG CYS A 32 27.925 4.394 6.561 1.00 0.00 S ATOM 0 H CYS A 32 29.048 5.648 4.445 1.00 0.00 H new ATOM 0 HA CYS A 32 27.581 3.266 3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.337 5.417 5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.110 3.681 5.196 1.00 0.00 H new ATOM 237 N HIS A 33 25.439 5.004 2.833 1.00 0.00 N ATOM 238 CA HIS A 33 24.558 5.726 1.882 1.00 0.00 C ATOM 239 C HIS A 33 23.387 6.390 2.633 1.00 0.00 C ATOM 240 O HIS A 33 23.573 6.885 3.727 1.00 0.00 O ATOM 241 CB HIS A 33 24.042 4.700 0.852 1.00 0.00 C ATOM 242 CG HIS A 33 23.525 3.459 1.582 1.00 0.00 C ATOM 243 ND1 HIS A 33 23.288 3.394 2.809 1.00 0.00 N ATOM 244 CD2 HIS A 33 23.245 2.198 1.088 1.00 0.00 C ATOM 245 CE1 HIS A 33 22.893 2.233 3.142 1.00 0.00 C ATOM 246 NE2 HIS A 33 22.836 1.402 2.106 1.00 0.00 N ATOM 0 H HIS A 33 24.955 4.464 3.550 1.00 0.00 H new ATOM 0 HA HIS A 33 25.108 6.519 1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.245 5.140 0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.842 4.424 0.166 1.00 0.00 H new ATOM 0 HD2 HIS A 33 23.338 1.896 0.055 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.633 1.953 4.152 1.00 0.00 H new ATOM 0 HE2 HIS A 33 22.557 0.421 2.083 1.00 0.00 H new ATOM 247 N SER A 34 22.209 6.387 2.045 1.00 0.00 N ATOM 248 CA SER A 34 21.046 7.019 2.723 1.00 0.00 C ATOM 249 C SER A 34 20.139 5.980 3.410 1.00 0.00 C ATOM 250 O SER A 34 18.929 6.094 3.389 1.00 0.00 O ATOM 251 CB SER A 34 20.245 7.790 1.647 1.00 0.00 C ATOM 252 OG SER A 34 20.793 7.336 0.419 1.00 0.00 O ATOM 0 H SER A 34 22.012 5.976 1.133 1.00 0.00 H new ATOM 0 HA SER A 34 21.406 7.686 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.179 7.574 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 34 20.359 8.868 1.761 1.00 0.00 H new ATOM 0 HG SER A 34 20.409 6.464 0.192 1.00 0.00 H new ATOM 253 N ALA A 35 20.747 4.989 4.017 1.00 0.00 N ATOM 254 CA ALA A 35 19.934 3.944 4.707 1.00 0.00 C ATOM 255 C ALA A 35 20.548 3.578 6.056 1.00 0.00 C ATOM 256 O ALA A 35 20.321 2.506 6.582 1.00 0.00 O ATOM 257 CB ALA A 35 19.865 2.696 3.821 1.00 0.00 C ATOM 0 H ALA A 35 21.758 4.861 4.064 1.00 0.00 H new ATOM 0 HA ALA A 35 18.933 4.338 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.273 1.929 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.401 2.951 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.872 2.319 3.644 1.00 0.00 H new ATOM 258 N CYS A 36 21.316 4.485 6.586 1.00 0.00 N ATOM 259 CA CYS A 36 21.959 4.244 7.886 1.00 0.00 C ATOM 260 C CYS A 36 22.022 5.543 8.653 1.00 0.00 C ATOM 261 O CYS A 36 22.869 6.381 8.414 1.00 0.00 O ATOM 262 CB CYS A 36 23.374 3.718 7.677 1.00 0.00 C ATOM 263 SG CYS A 36 24.072 2.749 9.035 1.00 0.00 S ATOM 0 H CYS A 36 21.522 5.390 6.163 1.00 0.00 H new ATOM 0 HA CYS A 36 21.381 3.507 8.443 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.382 3.103 6.777 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.031 4.567 7.488 1.00 0.00 H new ATOM 264 N LYS A 37 21.118 5.684 9.552 1.00 0.00 N ATOM 265 CA LYS A 37 21.082 6.921 10.366 1.00 0.00 C ATOM 266 C LYS A 37 22.200 6.937 11.381 1.00 0.00 C ATOM 267 O LYS A 37 22.706 7.983 11.738 1.00 0.00 O ATOM 268 CB LYS A 37 19.739 6.975 11.106 1.00 0.00 C ATOM 269 CG LYS A 37 18.873 8.081 10.495 1.00 0.00 C ATOM 270 CD LYS A 37 17.479 8.042 11.127 1.00 0.00 C ATOM 271 CE LYS A 37 16.819 9.412 10.964 1.00 0.00 C ATOM 272 NZ LYS A 37 17.149 10.289 12.123 1.00 0.00 N ATOM 0 H LYS A 37 20.394 4.998 9.767 1.00 0.00 H new ATOM 0 HA LYS A 37 21.203 7.781 9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.230 6.014 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.902 7.168 12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.334 9.054 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.799 7.946 9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.871 7.272 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.552 7.783 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.158 9.878 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.738 9.295 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.694 11.216 11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.804 9.849 13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.180 10.415 12.181 1.00 0.00 H new ATOM 273 N SER A 38 22.560 5.774 11.821 1.00 0.00 N ATOM 274 CA SER A 38 23.643 5.660 12.818 1.00 0.00 C ATOM 275 C SER A 38 24.874 4.987 12.216 1.00 0.00 C ATOM 276 O SER A 38 25.243 3.906 12.606 1.00 0.00 O ATOM 277 CB SER A 38 23.118 4.795 13.963 1.00 0.00 C ATOM 278 OG SER A 38 22.113 5.594 14.570 1.00 0.00 O ATOM 0 H SER A 38 22.146 4.889 11.529 1.00 0.00 H new ATOM 0 HA SER A 38 23.932 6.654 13.160 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.710 3.853 13.596 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.910 4.546 14.670 1.00 0.00 H new ATOM 0 HG SER A 38 21.718 5.107 15.323 1.00 0.00 H new ATOM 279 N CYS A 39 25.471 5.632 11.259 1.00 0.00 N ATOM 280 CA CYS A 39 26.679 5.046 10.622 1.00 0.00 C ATOM 281 C CYS A 39 27.950 5.685 11.141 1.00 0.00 C ATOM 282 O CYS A 39 28.038 6.889 11.282 1.00 0.00 O ATOM 283 CB CYS A 39 26.617 5.295 9.120 1.00 0.00 C ATOM 284 SG CYS A 39 26.672 3.851 8.039 1.00 0.00 S ATOM 0 H CYS A 39 25.177 6.537 10.890 1.00 0.00 H new ATOM 0 HA CYS A 39 26.694 3.981 10.855 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.698 5.842 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.447 5.949 8.852 1.00 0.00 H new ATOM 285 N ILE A 40 28.903 4.858 11.415 1.00 0.00 N ATOM 286 CA ILE A 40 30.204 5.364 11.928 1.00 0.00 C ATOM 287 C ILE A 40 31.216 5.361 10.796 1.00 0.00 C ATOM 288 O ILE A 40 31.233 4.440 10.002 1.00 0.00 O ATOM 289 CB ILE A 40 30.701 4.417 13.023 1.00 0.00 C ATOM 290 CG1 ILE A 40 29.572 4.105 14.001 1.00 0.00 C ATOM 291 CG2 ILE A 40 31.837 5.110 13.791 1.00 0.00 C ATOM 292 CD1 ILE A 40 29.135 2.647 13.824 1.00 0.00 C ATOM 0 H ILE A 40 28.843 3.845 11.307 1.00 0.00 H new ATOM 0 HA ILE A 40 30.082 6.373 12.322 1.00 0.00 H new ATOM 0 HB ILE A 40 31.049 3.490 12.567 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.905 4.275 15.025 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.729 4.773 13.825 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.203 4.448 14.576 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.651 5.343 13.105 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.464 6.032 14.238 1.00 0.00 H new ATOM 0 HD11 ILE A 40 28.328 2.422 14.522 1.00 0.00 H new ATOM 0 HD12 ILE A 40 28.785 2.493 12.803 1.00 0.00 H new ATOM 0 HD13 ILE A 40 29.980 1.987 14.021 1.00 0.00 H new ATOM 293 N CYS A 41 32.043 6.377 10.716 1.00 0.00 N ATOM 294 CA CYS A 41 33.037 6.380 9.610 1.00 0.00 C ATOM 295 C CYS A 41 34.345 7.045 9.970 1.00 0.00 C ATOM 296 O CYS A 41 34.390 8.104 10.565 1.00 0.00 O ATOM 297 CB CYS A 41 32.466 7.122 8.413 1.00 0.00 C ATOM 298 SG CYS A 41 32.374 6.229 6.838 1.00 0.00 S ATOM 0 H CYS A 41 32.070 7.177 11.348 1.00 0.00 H new ATOM 0 HA CYS A 41 33.239 5.332 9.390 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.460 7.452 8.671 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.066 8.019 8.256 1.00 0.00 H new ATOM 299 N ALA A 42 35.381 6.383 9.582 1.00 0.00 N ATOM 300 CA ALA A 42 36.744 6.876 9.839 1.00 0.00 C ATOM 301 C ALA A 42 37.317 7.446 8.547 1.00 0.00 C ATOM 302 O ALA A 42 37.684 6.697 7.646 1.00 0.00 O ATOM 303 CB ALA A 42 37.614 5.698 10.307 1.00 0.00 C ATOM 0 H ALA A 42 35.338 5.495 9.083 1.00 0.00 H new ATOM 0 HA ALA A 42 36.727 7.652 10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.628 6.049 10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.195 5.276 11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.638 4.932 9.531 1.00 0.00 H new ATOM 304 N LEU A 43 37.360 8.748 8.459 1.00 0.00 N ATOM 305 CA LEU A 43 37.904 9.377 7.231 1.00 0.00 C ATOM 306 C LEU A 43 39.392 9.106 7.100 1.00 0.00 C ATOM 307 O LEU A 43 40.211 9.890 7.538 1.00 0.00 O ATOM 308 CB LEU A 43 37.683 10.890 7.317 1.00 0.00 C ATOM 309 CG LEU A 43 36.194 11.190 7.130 1.00 0.00 C ATOM 310 CD1 LEU A 43 35.732 12.150 8.228 1.00 0.00 C ATOM 311 CD2 LEU A 43 35.979 11.845 5.765 1.00 0.00 C ATOM 0 H LEU A 43 37.044 9.396 9.181 1.00 0.00 H new ATOM 0 HA LEU A 43 37.394 8.958 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 43 38.024 11.266 8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 43 38.268 11.400 6.552 1.00 0.00 H new ATOM 0 HG LEU A 43 35.623 10.264 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.672 12.367 8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 35.893 11.691 9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 43 36.302 13.077 8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.919 12.060 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 43 36.548 12.773 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 43 36.316 11.169 4.980 1.00 0.00 H new ATOM 312 N SER A 44 39.711 7.998 6.497 1.00 0.00 N ATOM 313 CA SER A 44 41.138 7.645 6.319 1.00 0.00 C ATOM 314 C SER A 44 41.361 6.965 4.978 1.00 0.00 C ATOM 315 O SER A 44 40.509 6.998 4.112 1.00 0.00 O ATOM 316 CB SER A 44 41.539 6.675 7.440 1.00 0.00 C ATOM 317 OG SER A 44 41.287 7.400 8.635 1.00 0.00 O ATOM 0 H SER A 44 39.044 7.324 6.121 1.00 0.00 H new ATOM 0 HA SER A 44 41.739 8.554 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 44 40.953 5.757 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.588 6.388 7.362 1.00 0.00 H new ATOM 0 HG SER A 44 41.518 6.845 9.409 1.00 0.00 H new ATOM 318 N TYR A 45 42.504 6.361 4.830 1.00 0.00 N ATOM 319 CA TYR A 45 42.810 5.670 3.556 1.00 0.00 C ATOM 320 C TYR A 45 43.715 4.437 3.812 1.00 0.00 C ATOM 321 O TYR A 45 44.855 4.606 4.198 1.00 0.00 O ATOM 322 CB TYR A 45 43.588 6.657 2.670 1.00 0.00 C ATOM 323 CG TYR A 45 42.764 6.974 1.421 1.00 0.00 C ATOM 324 CD1 TYR A 45 42.870 6.185 0.294 1.00 0.00 C ATOM 325 CD2 TYR A 45 41.900 8.049 1.406 1.00 0.00 C ATOM 326 CE1 TYR A 45 42.123 6.467 -0.831 1.00 0.00 C ATOM 327 CE2 TYR A 45 41.154 8.332 0.281 1.00 0.00 C ATOM 328 CZ TYR A 45 41.259 7.543 -0.846 1.00 0.00 C ATOM 329 OH TYR A 45 40.510 7.824 -1.970 1.00 0.00 O ATOM 0 H TYR A 45 43.238 6.317 5.537 1.00 0.00 H new ATOM 0 HA TYR A 45 41.884 5.341 3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 45 43.798 7.572 3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 45 44.549 6.229 2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 45 43.543 5.340 0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 45 41.807 8.674 2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 45 42.215 5.841 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 45 40.482 9.178 0.282 1.00 0.00 H new ATOM 0 HH TYR A 45 39.956 8.615 -1.804 1.00 0.00 H new ATOM 330 N PRO A 46 43.219 3.205 3.602 1.00 0.00 N ATOM 331 CA PRO A 46 41.844 2.894 3.135 1.00 0.00 C ATOM 332 C PRO A 46 40.771 3.333 4.140 1.00 0.00 C ATOM 333 O PRO A 46 40.890 3.095 5.325 1.00 0.00 O ATOM 334 CB PRO A 46 41.811 1.356 3.018 1.00 0.00 C ATOM 335 CG PRO A 46 43.200 0.817 3.457 1.00 0.00 C ATOM 336 CD PRO A 46 44.067 2.027 3.825 1.00 0.00 C ATOM 0 HA PRO A 46 41.630 3.417 2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 46 41.024 0.942 3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 46 41.591 1.055 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 46 43.099 0.144 4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.661 0.245 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.396 1.972 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.965 2.068 3.208 1.00 0.00 H new ATOM 337 N ALA A 47 39.744 3.965 3.636 1.00 0.00 N ATOM 338 CA ALA A 47 38.649 4.431 4.532 1.00 0.00 C ATOM 339 C ALA A 47 38.034 3.271 5.301 1.00 0.00 C ATOM 340 O ALA A 47 38.193 2.124 4.934 1.00 0.00 O ATOM 341 CB ALA A 47 37.546 5.053 3.662 1.00 0.00 C ATOM 0 H ALA A 47 39.618 4.177 2.646 1.00 0.00 H new ATOM 0 HA ALA A 47 39.063 5.148 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.733 5.401 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.955 5.895 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 47 37.166 4.305 2.966 1.00 0.00 H new ATOM 342 N GLN A 48 37.342 3.597 6.360 1.00 0.00 N ATOM 343 CA GLN A 48 36.700 2.527 7.176 1.00 0.00 C ATOM 344 C GLN A 48 35.323 2.982 7.640 1.00 0.00 C ATOM 345 O GLN A 48 35.156 4.111 8.036 1.00 0.00 O ATOM 346 CB GLN A 48 37.575 2.262 8.413 1.00 0.00 C ATOM 347 CG GLN A 48 38.985 1.863 7.966 1.00 0.00 C ATOM 348 CD GLN A 48 39.746 1.286 9.162 1.00 0.00 C ATOM 349 OE1 GLN A 48 39.175 0.648 10.026 1.00 0.00 O ATOM 350 NE2 GLN A 48 41.033 1.488 9.254 1.00 0.00 N ATOM 0 H GLN A 48 37.194 4.550 6.693 1.00 0.00 H new ATOM 0 HA GLN A 48 36.598 1.623 6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.619 3.154 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.136 1.469 9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 48 38.931 1.127 7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.512 2.730 7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.518 2.022 8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 48 41.553 1.112 10.047 1.00 0.00 H new ATOM 351 N CYS A 49 34.346 2.111 7.574 1.00 0.00 N ATOM 352 CA CYS A 49 32.996 2.538 8.022 1.00 0.00 C ATOM 353 C CYS A 49 32.152 1.390 8.536 1.00 0.00 C ATOM 354 O CYS A 49 32.435 0.234 8.293 1.00 0.00 O ATOM 355 CB CYS A 49 32.274 3.202 6.847 1.00 0.00 C ATOM 356 SG CYS A 49 31.215 4.623 7.226 1.00 0.00 S ATOM 0 H CYS A 49 34.425 1.151 7.239 1.00 0.00 H new ATOM 0 HA CYS A 49 33.132 3.233 8.851 1.00 0.00 H new ATOM 0 HB2 CYS A 49 33.026 3.523 6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.662 2.446 6.355 1.00 0.00 H new ATOM 357 N PHE A 50 31.114 1.751 9.248 1.00 0.00 N ATOM 358 CA PHE A 50 30.209 0.724 9.810 1.00 0.00 C ATOM 359 C PHE A 50 28.768 1.232 9.882 1.00 0.00 C ATOM 360 O PHE A 50 28.523 2.421 9.895 1.00 0.00 O ATOM 361 CB PHE A 50 30.681 0.431 11.239 1.00 0.00 C ATOM 362 CG PHE A 50 31.073 -1.035 11.364 1.00 0.00 C ATOM 363 CD1 PHE A 50 30.103 -2.015 11.462 1.00 0.00 C ATOM 364 CD2 PHE A 50 32.406 -1.400 11.412 1.00 0.00 C ATOM 365 CE1 PHE A 50 30.460 -3.338 11.609 1.00 0.00 C ATOM 366 CE2 PHE A 50 32.762 -2.723 11.560 1.00 0.00 C ATOM 367 CZ PHE A 50 31.790 -3.691 11.658 1.00 0.00 C ATOM 0 H PHE A 50 30.861 2.716 9.460 1.00 0.00 H new ATOM 0 HA PHE A 50 30.233 -0.161 9.175 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.531 1.066 11.488 1.00 0.00 H new ATOM 0 HB3 PHE A 50 29.888 0.666 11.949 1.00 0.00 H new ATOM 0 HD1 PHE A 50 29.059 -1.742 11.423 1.00 0.00 H new ATOM 0 HD2 PHE A 50 33.173 -0.644 11.333 1.00 0.00 H new ATOM 0 HE1 PHE A 50 29.696 -4.098 11.686 1.00 0.00 H new ATOM 0 HE2 PHE A 50 33.805 -3.000 11.599 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.070 -4.728 11.773 1.00 0.00 H new ATOM 368 N CYS A 51 27.847 0.306 9.925 1.00 0.00 N ATOM 369 CA CYS A 51 26.402 0.679 9.998 1.00 0.00 C ATOM 370 C CYS A 51 25.745 -0.090 11.130 1.00 0.00 C ATOM 371 O CYS A 51 25.556 -1.285 11.022 1.00 0.00 O ATOM 372 CB CYS A 51 25.735 0.258 8.682 1.00 0.00 C ATOM 373 SG CYS A 51 24.059 0.854 8.355 1.00 0.00 S ATOM 0 H CYS A 51 28.033 -0.697 9.913 1.00 0.00 H new ATOM 0 HA CYS A 51 26.298 1.751 10.165 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.373 0.589 7.863 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.715 -0.831 8.651 1.00 0.00 H new ATOM 374 N VAL A 52 25.398 0.594 12.197 1.00 0.00 N ATOM 375 CA VAL A 52 24.752 -0.141 13.321 1.00 0.00 C ATOM 376 C VAL A 52 23.241 -0.109 13.201 1.00 0.00 C ATOM 377 O VAL A 52 22.547 -0.737 13.976 1.00 0.00 O ATOM 378 CB VAL A 52 25.176 0.482 14.661 1.00 0.00 C ATOM 379 CG1 VAL A 52 26.520 -0.114 15.084 1.00 0.00 C ATOM 380 CG2 VAL A 52 25.329 1.981 14.496 1.00 0.00 C ATOM 0 H VAL A 52 25.530 1.596 12.333 1.00 0.00 H new ATOM 0 HA VAL A 52 25.077 -1.181 13.278 1.00 0.00 H new ATOM 0 HB VAL A 52 24.420 0.273 15.418 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.829 0.322 16.034 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.420 -1.194 15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.270 0.104 14.324 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.630 2.423 15.446 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.089 2.188 13.743 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.379 2.411 14.180 1.00 0.00 H new ATOM 381 N ASP A 53 22.739 0.620 12.237 1.00 0.00 N ATOM 382 CA ASP A 53 21.269 0.669 12.090 1.00 0.00 C ATOM 383 C ASP A 53 20.738 -0.755 12.005 1.00 0.00 C ATOM 384 O ASP A 53 21.456 -1.648 11.599 1.00 0.00 O ATOM 385 CB ASP A 53 20.934 1.412 10.792 1.00 0.00 C ATOM 386 CG ASP A 53 19.630 2.190 10.975 1.00 0.00 C ATOM 387 OD1 ASP A 53 18.812 1.703 11.737 1.00 0.00 O ATOM 388 OD2 ASP A 53 19.525 3.228 10.342 1.00 0.00 O ATOM 0 H ASP A 53 23.275 1.168 11.564 1.00 0.00 H new ATOM 0 HA ASP A 53 20.817 1.181 12.940 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.744 2.094 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 53 20.836 0.704 9.969 1.00 0.00 H new ATOM 389 N ILE A 54 19.501 -0.956 12.388 1.00 0.00 N ATOM 390 CA ILE A 54 18.941 -2.339 12.322 1.00 0.00 C ATOM 391 C ILE A 54 17.524 -2.360 11.772 1.00 0.00 C ATOM 392 O ILE A 54 16.771 -1.417 11.920 1.00 0.00 O ATOM 393 CB ILE A 54 18.917 -2.934 13.735 1.00 0.00 C ATOM 394 CG1 ILE A 54 20.166 -2.518 14.500 1.00 0.00 C ATOM 395 CG2 ILE A 54 18.906 -4.471 13.615 1.00 0.00 C ATOM 396 CD1 ILE A 54 20.236 -3.315 15.804 1.00 0.00 C ATOM 0 H ILE A 54 18.867 -0.237 12.737 1.00 0.00 H new ATOM 0 HA ILE A 54 19.576 -2.920 11.653 1.00 0.00 H new ATOM 0 HB ILE A 54 18.034 -2.576 14.264 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.056 -2.702 13.898 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.140 -1.449 14.712 1.00 0.00 H new ATOM 0 HG21 ILE A 54 18.889 -4.914 14.611 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.021 -4.786 13.062 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.800 -4.801 13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.127 -3.025 16.360 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.350 -3.109 16.405 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.280 -4.380 15.577 1.00 0.00 H new ATOM 397 N THR A 55 17.204 -3.454 11.140 1.00 0.00 N ATOM 398 CA THR A 55 15.861 -3.624 10.552 1.00 0.00 C ATOM 399 C THR A 55 15.289 -4.973 10.998 1.00 0.00 C ATOM 400 O THR A 55 15.891 -5.651 11.817 1.00 0.00 O ATOM 401 CB THR A 55 16.007 -3.598 9.021 1.00 0.00 C ATOM 402 OG1 THR A 55 14.800 -4.126 8.508 1.00 0.00 O ATOM 403 CG2 THR A 55 17.090 -4.582 8.561 1.00 0.00 C ATOM 0 H THR A 55 17.832 -4.247 11.008 1.00 0.00 H new ATOM 0 HA THR A 55 15.190 -2.829 10.877 1.00 0.00 H new ATOM 0 HB THR A 55 16.245 -2.586 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.382 -3.469 7.913 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.176 -4.547 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.045 -4.308 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.820 -5.591 8.871 1.00 0.00 H new ATOM 404 N ASP A 56 14.146 -5.340 10.462 1.00 0.00 N ATOM 405 CA ASP A 56 13.530 -6.644 10.852 1.00 0.00 C ATOM 406 C ASP A 56 13.315 -7.551 9.642 1.00 0.00 C ATOM 407 O ASP A 56 12.443 -8.397 9.655 1.00 0.00 O ATOM 408 CB ASP A 56 12.162 -6.356 11.488 1.00 0.00 C ATOM 409 CG ASP A 56 12.351 -5.502 12.743 1.00 0.00 C ATOM 410 OD1 ASP A 56 13.339 -5.741 13.416 1.00 0.00 O ATOM 411 OD2 ASP A 56 11.496 -4.659 12.958 1.00 0.00 O ATOM 0 H ASP A 56 13.620 -4.796 9.778 1.00 0.00 H new ATOM 0 HA ASP A 56 14.202 -7.150 11.545 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.520 -5.837 10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.664 -7.291 11.744 1.00 0.00 H new ATOM 412 N PHE A 57 14.105 -7.369 8.618 1.00 0.00 N ATOM 413 CA PHE A 57 13.924 -8.235 7.420 1.00 0.00 C ATOM 414 C PHE A 57 15.216 -8.400 6.610 1.00 0.00 C ATOM 415 O PHE A 57 15.258 -9.171 5.674 1.00 0.00 O ATOM 416 CB PHE A 57 12.848 -7.610 6.518 1.00 0.00 C ATOM 417 CG PHE A 57 12.817 -6.094 6.721 1.00 0.00 C ATOM 418 CD1 PHE A 57 12.036 -5.533 7.717 1.00 0.00 C ATOM 419 CD2 PHE A 57 13.553 -5.263 5.897 1.00 0.00 C ATOM 420 CE1 PHE A 57 11.995 -4.164 7.884 1.00 0.00 C ATOM 421 CE2 PHE A 57 13.509 -3.895 6.066 1.00 0.00 C ATOM 422 CZ PHE A 57 12.730 -3.347 7.059 1.00 0.00 C ATOM 0 H PHE A 57 14.850 -6.675 8.559 1.00 0.00 H new ATOM 0 HA PHE A 57 13.628 -9.224 7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.057 -7.842 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 57 11.873 -8.037 6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.455 -6.171 8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.166 -5.688 5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.384 -3.734 8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.087 -3.253 5.418 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.696 -2.275 7.190 1.00 0.00 H new ATOM 423 N CYS A 58 16.243 -7.683 6.976 1.00 0.00 N ATOM 424 CA CYS A 58 17.512 -7.811 6.223 1.00 0.00 C ATOM 425 C CYS A 58 17.295 -7.548 4.739 1.00 0.00 C ATOM 426 O CYS A 58 16.779 -8.381 4.018 1.00 0.00 O ATOM 427 CB CYS A 58 18.052 -9.237 6.407 1.00 0.00 C ATOM 428 SG CYS A 58 19.697 -9.421 7.120 1.00 0.00 S ATOM 0 H CYS A 58 16.255 -7.024 7.754 1.00 0.00 H new ATOM 0 HA CYS A 58 18.222 -7.077 6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.350 -9.783 7.037 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.052 -9.725 5.432 1.00 0.00 H new ATOM 429 N TYR A 59 17.684 -6.383 4.320 1.00 0.00 N ATOM 430 CA TYR A 59 17.521 -6.021 2.889 1.00 0.00 C ATOM 431 C TYR A 59 18.031 -7.140 1.975 1.00 0.00 C ATOM 432 O TYR A 59 18.519 -8.149 2.441 1.00 0.00 O ATOM 433 CB TYR A 59 18.329 -4.741 2.616 1.00 0.00 C ATOM 434 CG TYR A 59 18.272 -3.823 3.846 1.00 0.00 C ATOM 435 CD1 TYR A 59 17.067 -3.306 4.277 1.00 0.00 C ATOM 436 CD2 TYR A 59 19.426 -3.486 4.532 1.00 0.00 C ATOM 437 CE1 TYR A 59 17.014 -2.466 5.372 1.00 0.00 C ATOM 438 CE2 TYR A 59 19.369 -2.644 5.626 1.00 0.00 C ATOM 439 CZ TYR A 59 18.164 -2.129 6.052 1.00 0.00 C ATOM 440 OH TYR A 59 18.109 -1.285 7.142 1.00 0.00 O ATOM 0 H TYR A 59 18.108 -5.664 4.906 1.00 0.00 H new ATOM 0 HA TYR A 59 16.462 -5.866 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.364 -4.994 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 59 17.927 -4.224 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.157 -3.561 3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.377 -3.884 4.210 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.063 -2.070 5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.277 -2.387 6.152 1.00 0.00 H new ATOM 0 HH TYR A 59 19.012 -1.155 7.501 1.00 0.00 H new ATOM 441 N GLU A 60 17.911 -6.936 0.684 1.00 0.00 N ATOM 442 CA GLU A 60 18.382 -7.981 -0.271 1.00 0.00 C ATOM 443 C GLU A 60 19.825 -7.695 -0.748 1.00 0.00 C ATOM 444 O GLU A 60 20.241 -6.556 -0.798 1.00 0.00 O ATOM 445 CB GLU A 60 17.446 -7.952 -1.488 1.00 0.00 C ATOM 446 CG GLU A 60 16.268 -8.893 -1.236 1.00 0.00 C ATOM 447 CD GLU A 60 15.175 -8.626 -2.273 1.00 0.00 C ATOM 448 OE1 GLU A 60 14.792 -7.470 -2.370 1.00 0.00 O ATOM 449 OE2 GLU A 60 14.784 -9.590 -2.909 1.00 0.00 O ATOM 0 H GLU A 60 17.512 -6.100 0.257 1.00 0.00 H new ATOM 0 HA GLU A 60 18.374 -8.952 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.086 -6.938 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.986 -8.257 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.597 -9.930 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.876 -8.742 -0.230 1.00 0.00 H new ATOM 450 N PRO A 61 20.555 -8.746 -1.133 1.00 0.00 N ATOM 451 CA PRO A 61 21.934 -8.585 -1.603 1.00 0.00 C ATOM 452 C PRO A 61 22.069 -7.398 -2.545 1.00 0.00 C ATOM 453 O PRO A 61 21.108 -6.961 -3.147 1.00 0.00 O ATOM 454 CB PRO A 61 22.247 -9.898 -2.344 1.00 0.00 C ATOM 455 CG PRO A 61 21.105 -10.902 -2.001 1.00 0.00 C ATOM 456 CD PRO A 61 20.049 -10.130 -1.189 1.00 0.00 C ATOM 0 HA PRO A 61 22.620 -8.392 -0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.302 -9.730 -3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.214 -10.294 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 61 20.667 -11.312 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.492 -11.744 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.071 -10.175 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.934 -10.550 -0.190 1.00 0.00 H new ATOM 457 N CYS A 62 23.266 -6.899 -2.651 1.00 0.00 N ATOM 458 CA CYS A 62 23.500 -5.739 -3.542 1.00 0.00 C ATOM 459 C CYS A 62 23.966 -6.152 -4.913 1.00 0.00 C ATOM 460 O CYS A 62 23.654 -7.222 -5.388 1.00 0.00 O ATOM 461 CB CYS A 62 24.573 -4.845 -2.886 1.00 0.00 C ATOM 462 SG CYS A 62 24.371 -3.050 -3.019 1.00 0.00 S ATOM 0 H CYS A 62 24.090 -7.245 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 62 22.557 -5.207 -3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 62 24.620 -5.099 -1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.538 -5.107 -3.320 1.00 0.00 H new ATOM 463 N LYS A 63 24.678 -5.259 -5.522 1.00 0.00 N ATOM 464 CA LYS A 63 25.213 -5.515 -6.890 1.00 0.00 C ATOM 465 C LYS A 63 24.053 -5.695 -7.882 1.00 0.00 C ATOM 466 O LYS A 63 23.858 -6.763 -8.429 1.00 0.00 O ATOM 467 CB LYS A 63 26.081 -6.800 -6.878 1.00 0.00 C ATOM 468 CG LYS A 63 27.170 -6.666 -5.802 1.00 0.00 C ATOM 469 CD LYS A 63 27.759 -8.043 -5.501 1.00 0.00 C ATOM 470 CE LYS A 63 29.054 -7.868 -4.707 1.00 0.00 C ATOM 471 NZ LYS A 63 28.774 -7.234 -3.387 1.00 0.00 N ATOM 0 H LYS A 63 24.919 -4.348 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 63 25.822 -4.665 -7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.458 -7.672 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.537 -6.954 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.954 -5.990 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 26.749 -6.232 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.047 -8.641 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.956 -8.579 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.530 -8.837 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.754 -7.252 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.622 -7.291 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.516 -6.236 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.988 -7.732 -2.922 1.00 0.00 H new ATOM 472 N PRO A 64 23.297 -4.618 -8.093 1.00 0.00 N ATOM 473 CA PRO A 64 22.153 -4.643 -9.012 1.00 0.00 C ATOM 474 C PRO A 64 22.551 -5.092 -10.415 1.00 0.00 C ATOM 475 O PRO A 64 23.533 -5.784 -10.591 1.00 0.00 O ATOM 476 CB PRO A 64 21.636 -3.184 -9.040 1.00 0.00 C ATOM 477 CG PRO A 64 22.449 -2.381 -7.986 1.00 0.00 C ATOM 478 CD PRO A 64 23.544 -3.311 -7.446 1.00 0.00 C ATOM 0 HA PRO A 64 21.397 -5.355 -8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 64 21.762 -2.751 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.571 -3.150 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 64 22.889 -1.491 -8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 64 21.801 -2.042 -7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 64 24.537 -2.933 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.491 -3.393 -6.360 1.00 0.00 H new ATOM 479 N SER A 65 21.773 -4.693 -11.389 1.00 0.00 N ATOM 480 CA SER A 65 22.088 -5.087 -12.781 1.00 0.00 C ATOM 481 C SER A 65 21.887 -6.584 -12.951 1.00 0.00 C ATOM 482 O SER A 65 21.014 -7.165 -12.339 1.00 0.00 O ATOM 483 CB SER A 65 23.559 -4.741 -13.067 1.00 0.00 C ATOM 484 OG SER A 65 23.832 -3.649 -12.201 1.00 0.00 O ATOM 0 H SER A 65 20.940 -4.115 -11.275 1.00 0.00 H new ATOM 0 HA SER A 65 21.431 -4.557 -13.471 1.00 0.00 H new ATOM 0 HB2 SER A 65 24.215 -5.587 -12.861 1.00 0.00 H new ATOM 0 HB3 SER A 65 23.709 -4.469 -14.112 1.00 0.00 H new ATOM 0 HG SER A 65 24.762 -3.363 -12.319 1.00 0.00 H new ATOM 485 N GLU A 66 22.689 -7.185 -13.776 1.00 0.00 N ATOM 486 CA GLU A 66 22.542 -8.642 -13.982 1.00 0.00 C ATOM 487 C GLU A 66 22.766 -9.380 -12.664 1.00 0.00 C ATOM 488 O GLU A 66 22.643 -8.801 -11.602 1.00 0.00 O ATOM 489 CB GLU A 66 23.598 -9.091 -15.000 1.00 0.00 C ATOM 490 CG GLU A 66 24.985 -8.692 -14.490 1.00 0.00 C ATOM 491 CD GLU A 66 25.657 -7.777 -15.517 1.00 0.00 C ATOM 492 OE1 GLU A 66 26.061 -8.313 -16.536 1.00 0.00 O ATOM 493 OE2 GLU A 66 25.728 -6.595 -15.224 1.00 0.00 O ATOM 0 H GLU A 66 23.432 -6.735 -14.311 1.00 0.00 H new ATOM 0 HA GLU A 66 21.539 -8.867 -14.346 1.00 0.00 H new ATOM 0 HB2 GLU A 66 23.546 -10.170 -15.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.406 -8.630 -15.969 1.00 0.00 H new ATOM 0 HG2 GLU A 66 24.899 -8.181 -13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 66 25.594 -9.581 -14.324 1.00 0.00 H new ATOM 494 N ASP A 67 23.088 -10.639 -12.749 1.00 0.00 N ATOM 495 CA ASP A 67 23.321 -11.409 -11.502 1.00 0.00 C ATOM 496 C ASP A 67 24.705 -11.107 -10.938 1.00 0.00 C ATOM 497 O ASP A 67 25.021 -9.971 -10.639 1.00 0.00 O ATOM 498 CB ASP A 67 23.232 -12.907 -11.828 1.00 0.00 C ATOM 499 CG ASP A 67 21.809 -13.244 -12.275 1.00 0.00 C ATOM 500 OD1 ASP A 67 21.178 -12.341 -12.800 1.00 0.00 O ATOM 501 OD2 ASP A 67 21.433 -14.385 -12.066 1.00 0.00 O ATOM 0 H ASP A 67 23.199 -11.162 -13.618 1.00 0.00 H new ATOM 0 HA ASP A 67 22.571 -11.129 -10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.942 -13.162 -12.614 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.500 -13.498 -10.952 1.00 0.00 H new ATOM 502 N ASP A 68 25.505 -12.127 -10.800 1.00 0.00 N ATOM 503 CA ASP A 68 26.872 -11.912 -10.257 1.00 0.00 C ATOM 504 C ASP A 68 27.605 -10.838 -11.054 1.00 0.00 C ATOM 505 O ASP A 68 27.026 -10.183 -11.896 1.00 0.00 O ATOM 506 CB ASP A 68 27.660 -13.230 -10.367 1.00 0.00 C ATOM 507 CG ASP A 68 26.746 -14.332 -10.909 1.00 0.00 C ATOM 508 OD1 ASP A 68 25.978 -14.841 -10.109 1.00 0.00 O ATOM 509 OD2 ASP A 68 26.868 -14.601 -12.093 1.00 0.00 O ATOM 0 H ASP A 68 25.273 -13.091 -11.038 1.00 0.00 H new ATOM 0 HA ASP A 68 26.793 -11.591 -9.218 1.00 0.00 H new ATOM 0 HB2 ASP A 68 28.518 -13.098 -11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 68 28.050 -13.515 -9.390 1.00 0.00 H new ATOM 510 N LYS A 69 28.871 -10.680 -10.774 1.00 0.00 N ATOM 511 CA LYS A 69 29.656 -9.653 -11.506 1.00 0.00 C ATOM 512 C LYS A 69 31.136 -10.021 -11.535 1.00 0.00 C ATOM 513 O LYS A 69 31.733 -10.115 -12.588 1.00 0.00 O ATOM 514 CB LYS A 69 29.495 -8.308 -10.781 1.00 0.00 C ATOM 515 CG LYS A 69 30.398 -7.265 -11.446 1.00 0.00 C ATOM 516 CD LYS A 69 29.744 -5.887 -11.335 1.00 0.00 C ATOM 517 CE LYS A 69 30.744 -4.820 -11.791 1.00 0.00 C ATOM 518 NZ LYS A 69 30.138 -3.461 -11.704 1.00 0.00 N ATOM 0 H LYS A 69 29.389 -11.214 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 69 29.291 -9.591 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 69 28.455 -7.983 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 69 29.757 -8.415 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 69 31.377 -7.256 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 69 30.559 -7.521 -12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.845 -5.847 -11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.436 -5.699 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 69 31.640 -4.865 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 69 31.055 -5.020 -12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.831 -2.751 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 29.297 -3.416 -12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 29.863 -3.266 -10.720 1.00 0.00 H new ATOM 519 N GLU A 70 31.699 -10.227 -10.375 1.00 0.00 N ATOM 520 CA GLU A 70 33.136 -10.590 -10.319 1.00 0.00 C ATOM 521 C GLU A 70 33.332 -12.085 -10.556 1.00 0.00 C ATOM 522 O GLU A 70 33.728 -12.497 -11.628 1.00 0.00 O ATOM 523 CB GLU A 70 33.669 -10.234 -8.925 1.00 0.00 C ATOM 524 CG GLU A 70 33.877 -8.720 -8.842 1.00 0.00 C ATOM 525 CD GLU A 70 34.341 -8.348 -7.432 1.00 0.00 C ATOM 526 OE1 GLU A 70 35.243 -9.023 -6.962 1.00 0.00 O ATOM 527 OE2 GLU A 70 33.767 -7.410 -6.903 1.00 0.00 O ATOM 0 H GLU A 70 31.227 -10.159 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 70 33.671 -10.044 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 70 32.966 -10.560 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 70 34.608 -10.754 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 70 34.618 -8.403 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.949 -8.201 -9.080 1.00 0.00 H new ATOM 528 N ASN A 71 33.052 -12.871 -9.551 1.00 0.00 N ATOM 529 CA ASN A 71 33.219 -14.338 -9.709 1.00 0.00 C ATOM 530 C ASN A 71 32.417 -14.851 -10.900 1.00 0.00 C ATOM 531 O ASN A 71 33.003 -15.601 -11.663 1.00 0.00 O ATOM 532 CB ASN A 71 32.707 -15.030 -8.437 1.00 0.00 C ATOM 533 CG ASN A 71 31.729 -14.103 -7.711 1.00 0.00 C ATOM 534 OD1 ASN A 71 32.194 -13.233 -6.857 1.00 0.00 O flip ATOM 535 ND2 ASN A 71 30.532 -14.164 -7.915 1.00 0.00 N flip ATOM 536 OXT ASN A 71 31.262 -14.466 -10.983 1.00 0.00 O ATOM 0 H ASN A 71 32.719 -12.562 -8.638 1.00 0.00 H new ATOM 0 HA ASN A 71 34.274 -14.556 -9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 71 32.214 -15.968 -8.693 1.00 0.00 H new ATOM 0 HB3 ASN A 71 33.543 -15.278 -7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.162 -14.842 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.898 -13.537 -7.420 1.00 0.00 H new TER 537 ASN A 71 CONECT 59 462 CONECT 65 175 CONECT 88 428 CONECT 99 158 CONECT 158 99 CONECT 175 65 CONECT 236 284 CONECT 263 284 373 CONECT 284 236 263 CONECT 298 356 CONECT 356 298 CONECT 373 263 CONECT 428 88 CONECT 462 59 END