USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) HEADER PLASMINOGEN ACTIVATION 15-JUL-93 1KDU TITLE SEQUENTIAL 1H NMR ASSIGNMENTS AND SECONDARY STRUCTURE OF THE KRINGLE TITLE 2 DOMAIN FROM UROKINASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS PLASMINOGEN ACTIVATION EXPDTA SOLUTION NMR AUTHOR X.LI,A.M.BOKMAN,M.LLINAS,R.A.G.SMITH,C.M.DOBSON REVDAT 4 01-AUG-12 1KDU 1 JRNL VERSN REVDAT 3 24-FEB-09 1KDU 1 VERSN REVDAT 2 01-APR-03 1KDU 1 JRNL REVDAT 1 31-OCT-93 1KDU 0 JRNL AUTH X.LI,A.M.BOKMAN,M.LLINAS,R.A.SMITH,C.M.DOBSON JRNL TITL SOLUTION STRUCTURE OF THE KRINGLE DOMAIN FROM UROKINASE-TYPE JRNL TITL 2 PLASMINOGEN ACTIVATOR. JRNL REF J.MOL.BIOL. V. 235 1548 1994 JRNL REFN ISSN 0022-2836 JRNL PMID 8107091 JRNL DOI 10.1006/JMBI.1994.1106 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH X.LI,A.M.BOKMAN,M.LLINAS,R.A.G.SMITH,C.M.DOBSON REMARK 1 TITL SOLUTION STRUCTURE OF THE KRINGLE DOMAIN FROM THE REMARK 1 TITL 2 UROKINASE-TYPE PLASMINOGEN ACTIVATOR REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN 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 1KDU 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 TRP A 25 CG TRP A 25 CD2 -0.115 REMARK 500 HIS A 40 CG HIS A 40 ND1 -0.111 REMARK 500 HIS A 48A NE2 HIS A 48A CD2 -0.073 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES 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,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) 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 ATM2 ATM3 REMARK 500 TRP A 25 CA - CB - CG ANGL. DEV. = -14.0 DEGREES REMARK 500 TRP A 25 CD1 - NE1 - CE2 ANGL. DEV. = 7.4 DEGREES REMARK 500 TRP A 25 NE1 - CE2 - CZ2 ANGL. DEV. = 11.0 DEGREES REMARK 500 TRP A 25 NE1 - CE2 - CD2 ANGL. DEV. = -8.0 DEGREES REMARK 500 TRP A 25 CG - CD2 - CE3 ANGL. DEV. = -8.2 DEGREES REMARK 500 HIS A 40 N - CA - CB ANGL. DEV. = -12.5 DEGREES REMARK 500 TRP A 62 CD1 - CG - CD2 ANGL. DEV. = 4.9 DEGREES REMARK 500 TRP A 62 CG - CD1 - NE1 ANGL. DEV. = -7.0 DEGREES REMARK 500 TRP A 62 CD1 - NE1 - CE2 ANGL. DEV. = 6.9 DEGREES REMARK 500 TRP A 62 NE1 - CE2 - CZ2 ANGL. DEV. = 7.5 DEGREES 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 1 -55.14 -120.45 REMARK 500 HIS A 7 -80.43 -78.25 REMARK 500 ARG A 10 86.59 24.01 REMARK 500 LYS A 12 69.60 -106.37 REMARK 500 GLN A 34 -148.73 -61.58 REMARK 500 LYS A 48 27.66 47.71 REMARK 500 HIS A 48A -167.76 -79.72 REMARK 500 ARG A 52 -157.70 -133.70 REMARK 500 ASN A 53 47.02 -104.02 REMARK 500 PRO A 54 -7.27 -55.62 REMARK 500 ASP A 55 -75.12 -128.09 REMARK 500 ASN A 56 47.91 151.08 REMARK 500 MET A 76 34.75 -78.12 REMARK 500 VAL A 77 -158.11 -79.43 REMARK 500 CYS A 80 75.46 62.55 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 10 0.13 SIDE CHAIN REMARK 500 ARG A 20 0.31 SIDE CHAIN REMARK 500 ARG A 41 0.31 SIDE CHAIN REMARK 500 ARG A 52 0.16 SIDE CHAIN REMARK 500 ARG A 57 0.18 SIDE CHAIN REMARK 500 ARG A 58 0.20 SIDE CHAIN REMARK 500 ARG A 60 0.29 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: BD1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 REMARK 800 SITE_IDENTIFIER: BD2 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL DBREF 1KDU A -1 82 UNP P00749 UROK_HUMAN 69 153 SEQRES 1 A 85 THR CYS TYR GLU GLY ASN GLY HIS PHE TYR ARG GLY LYS SEQRES 2 A 85 ALA SER THR ASP THR MET GLY ARG PRO CYS LEU PRO TRP SEQRES 3 A 85 ASN SER ALA THR VAL LEU GLN GLN THR TYR HIS ALA HIS SEQRES 4 A 85 ARG SER ASP ALA LEU GLN LEU GLY LEU GLY LYS HIS ASN SEQRES 5 A 85 TYR CYS ARG ASN PRO ASP ASN ARG ARG ARG PRO TRP CYS SEQRES 6 A 85 TYR VAL GLN VAL GLY LEU LYS PRO LEU VAL GLN GLU CYS SEQRES 7 A 85 MET VAL HIS ASP CYS ALA ASP HELIX 1 H1 ALA A 28 GLN A 33 11/5, DISORDERED 5 HELIX 2 H2 SER A 42 LEU A 44C 1DISORDERED 6 SHEET 1 B1 2 THR A 15 ASP A 16 0 SHEET 2 B1 2 ARG A 20 CYS A 22 -1 O ARG A 20 N ASP A 16 SHEET 1 B2 2 PRO A 24 TRP A 25 0 SHEET 2 B2 2 HIS A 48A ASN A 49 -1 O HIS A 48A N TRP A 25 SHEET 1 B3 2 TRP A 62 GLN A 66 0 SHEET 2 B3 2 PRO A 70 GLU A 74 -1 O GLN A 73 N CYS A 63 SSBOND *** CYS A 1 CYS A 80 1555 1555 2.02 SSBOND *** CYS A 22 CYS A 63 1555 1555 2.02 SSBOND *** CYS A 51 CYS A 75 1555 1555 2.02 SITE *** BD1 3 ARG A 57 ARG A 58 ARG A 60 SITE *** BD2 2 HIS A 37 HIS A 40 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 53 ASN : amide:sc= -2.78 K(o=-4.6,f=-8.1!) USER MOD Set 1.2: A 56 ASN :FLIP amide:sc= -1.82 F(o=-8.5!,f=-4.6) USER MOD Set 2.1: A 30 THR OG1 : rot 171:sc= 0 USER MOD Set 2.2: A 66 GLN :FLIP amide:sc= -1.88 F(o=-8.5!,f=-1.9) USER MOD Single : A 2 TYR OH : rot 28:sc= 0.122 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.332 F(o=-0.93,f=-0.33) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.212 F(o=-2.6!,f=-0.21) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 THR N :NH3+ -167:sc= 0.594 (180deg=0.405) USER MOD Single : A -1 THR OG1 : rot 38:sc= 0.516 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.035 USER MOD Single : A 15 THR OG1 : rot 38:sc= 0.2 USER MOD Single : A 17 THR OG1 : rot -100:sc= 1.29 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= 0.0218 F(o=-2.8!,f=0.022) USER MOD Single : A 27 SER OG : rot -129:sc= 1.83 USER MOD Single : A 33 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= 1.25 F(o=-0.28,f=1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.34! C(o=-7.3!,f=-7!) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -2.24! C(o=-3.1!,f=-2.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 44BGLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48AHIS : no HE2:sc= -18.2! C(o=-18!,f=-21!) USER MOD Single : A 49 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.223 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.96! C(o=-2!,f=-2.6!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -1 37.078 -8.422 -5.315 1.00 0.00 N ATOM 2 CA THR A -1 37.419 -8.016 -3.919 1.00 0.00 C ATOM 3 C THR A -1 37.947 -6.573 -3.932 1.00 0.00 C ATOM 4 O THR A -1 38.955 -6.290 -4.551 1.00 0.00 O ATOM 5 CB THR A -1 38.509 -8.955 -3.328 1.00 0.00 C ATOM 6 OG1 THR A -1 39.509 -9.051 -4.334 1.00 0.00 O ATOM 7 CG2 THR A -1 37.994 -10.399 -3.177 1.00 0.00 C ATOM 0 H1 THR A -1 36.521 -9.300 -5.295 1.00 0.00 H new ATOM 0 H2 THR A -1 36.522 -7.670 -5.769 1.00 0.00 H new ATOM 0 H3 THR A -1 37.953 -8.579 -5.854 1.00 0.00 H new ATOM 0 HA THR A -1 36.524 -8.086 -3.301 1.00 0.00 H new ATOM 0 HB THR A -1 38.832 -8.564 -2.363 1.00 0.00 H new ATOM 0 HG1 THR A -1 39.619 -8.180 -4.770 1.00 0.00 H new ATOM 0 HG21 THR A -1 38.783 -11.025 -2.761 1.00 0.00 H new ATOM 0 HG22 THR A -1 37.133 -10.410 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A -1 37.701 -10.785 -4.153 1.00 0.00 H new ATOM 17 N CYS A 1 37.241 -5.711 -3.245 1.00 0.00 N ATOM 18 CA CYS A 1 37.630 -4.269 -3.164 1.00 0.00 C ATOM 19 C CYS A 1 37.867 -3.899 -1.695 1.00 0.00 C ATOM 20 O CYS A 1 38.930 -3.407 -1.368 1.00 0.00 O ATOM 21 CB CYS A 1 36.495 -3.438 -3.779 1.00 0.00 C ATOM 22 SG CYS A 1 36.059 -3.799 -5.499 1.00 0.00 S ATOM 0 H CYS A 1 36.395 -5.950 -2.727 1.00 0.00 H new ATOM 0 HA CYS A 1 38.551 -4.071 -3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 1 35.604 -3.575 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 1 36.770 -2.385 -3.712 1.00 0.00 H new ATOM 27 N TYR A 2 36.886 -4.137 -0.854 1.00 0.00 N ATOM 28 CA TYR A 2 37.044 -3.810 0.599 1.00 0.00 C ATOM 29 C TYR A 2 37.381 -5.127 1.304 1.00 0.00 C ATOM 30 O TYR A 2 36.509 -5.923 1.597 1.00 0.00 O ATOM 31 CB TYR A 2 35.710 -3.200 1.191 1.00 0.00 C ATOM 32 CG TYR A 2 36.026 -1.780 1.706 1.00 0.00 C ATOM 33 CD1 TYR A 2 36.955 -1.650 2.714 1.00 0.00 C ATOM 34 CD2 TYR A 2 35.454 -0.626 1.196 1.00 0.00 C ATOM 35 CE1 TYR A 2 37.320 -0.424 3.204 1.00 0.00 C ATOM 36 CE2 TYR A 2 35.824 0.603 1.689 1.00 0.00 C ATOM 37 CZ TYR A 2 36.759 0.720 2.696 1.00 0.00 C ATOM 38 OH TYR A 2 37.136 1.955 3.183 1.00 0.00 O ATOM 0 H TYR A 2 35.986 -4.542 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 2 37.827 -3.066 0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 2 34.934 -3.165 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 2 35.331 -3.824 2.000 1.00 0.00 H new ATOM 0 HD1 TYR A 2 37.408 -2.538 3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 2 34.716 -0.692 0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 2 38.053 -0.358 3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 2 35.373 1.495 1.279 1.00 0.00 H new ATOM 0 HH TYR A 2 38.055 1.907 3.519 1.00 0.00 H new ATOM 48 N GLU A 3 38.656 -5.306 1.545 1.00 0.00 N ATOM 49 CA GLU A 3 39.150 -6.541 2.228 1.00 0.00 C ATOM 50 C GLU A 3 38.777 -6.409 3.710 1.00 0.00 C ATOM 51 O GLU A 3 39.538 -5.917 4.521 1.00 0.00 O ATOM 52 CB GLU A 3 40.681 -6.633 2.036 1.00 0.00 C ATOM 53 CG GLU A 3 41.020 -6.681 0.520 1.00 0.00 C ATOM 54 CD GLU A 3 41.758 -5.392 0.113 1.00 0.00 C ATOM 55 OE1 GLU A 3 41.096 -4.366 0.101 1.00 0.00 O ATOM 56 OE2 GLU A 3 42.942 -5.504 -0.161 1.00 0.00 O ATOM 0 H GLU A 3 39.386 -4.639 1.294 1.00 0.00 H new ATOM 0 HA GLU A 3 38.706 -7.448 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 3 41.167 -5.775 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 3 41.066 -7.524 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 3 41.640 -7.551 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 3 40.106 -6.788 -0.064 1.00 0.00 H new ATOM 63 N GLY A 4 37.586 -6.866 3.996 1.00 0.00 N ATOM 64 CA GLY A 4 37.041 -6.819 5.382 1.00 0.00 C ATOM 65 C GLY A 4 36.073 -5.635 5.459 1.00 0.00 C ATOM 66 O GLY A 4 35.210 -5.489 4.615 1.00 0.00 O ATOM 0 H GLY A 4 36.955 -7.279 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 4 36.528 -7.750 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 4 37.847 -6.702 6.107 1.00 0.00 H new ATOM 70 N ASN A 5 36.252 -4.829 6.473 1.00 0.00 N ATOM 71 CA ASN A 5 35.403 -3.631 6.703 1.00 0.00 C ATOM 72 C ASN A 5 36.234 -2.341 6.617 1.00 0.00 C ATOM 73 O ASN A 5 35.736 -1.320 6.183 1.00 0.00 O ATOM 74 CB ASN A 5 34.764 -3.806 8.094 1.00 0.00 C ATOM 75 CG ASN A 5 34.540 -5.287 8.445 1.00 0.00 C ATOM 76 OD1 ASN A 5 35.152 -5.791 9.481 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 33.809 -5.994 7.780 1.00 0.00 N flip ATOM 0 H ASN A 5 36.980 -4.961 7.175 1.00 0.00 H new ATOM 0 HA ASN A 5 34.632 -3.542 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 5 35.405 -3.348 8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 5 33.811 -3.279 8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 5 33.327 -5.608 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 5 33.678 -6.973 8.033 1.00 0.00 H new ATOM 84 N GLY A 6 37.472 -2.427 7.033 1.00 0.00 N ATOM 85 CA GLY A 6 38.378 -1.239 6.996 1.00 0.00 C ATOM 86 C GLY A 6 38.076 -0.264 8.138 1.00 0.00 C ATOM 87 O GLY A 6 37.065 0.412 8.139 1.00 0.00 O ATOM 0 H GLY A 6 37.898 -3.278 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 6 39.415 -1.569 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 6 38.268 -0.726 6.040 1.00 0.00 H new ATOM 91 N HIS A 7 38.984 -0.238 9.077 1.00 0.00 N ATOM 92 CA HIS A 7 38.863 0.654 10.274 1.00 0.00 C ATOM 93 C HIS A 7 39.260 2.083 9.859 1.00 0.00 C ATOM 94 O HIS A 7 38.408 2.912 9.605 1.00 0.00 O ATOM 95 CB HIS A 7 39.807 0.132 11.430 1.00 0.00 C ATOM 96 CG HIS A 7 40.703 -1.031 10.970 1.00 0.00 C ATOM 97 ND1 HIS A 7 41.712 -1.080 10.020 1.00 0.00 N flip ATOM 98 CD2 HIS A 7 40.645 -2.237 11.431 1.00 0.00 C flip ATOM 99 CE1 HIS A 7 42.213 -2.297 9.950 1.00 0.00 C flip ATOM 100 NE2 HIS A 7 41.527 -2.976 10.836 1.00 0.00 N flip ATOM 0 H HIS A 7 39.827 -0.812 9.066 1.00 0.00 H new ATOM 0 HA HIS A 7 37.838 0.652 10.644 1.00 0.00 H new ATOM 0 HB2 HIS A 7 40.432 0.952 11.784 1.00 0.00 H new ATOM 0 HB3 HIS A 7 39.199 -0.192 12.274 1.00 0.00 H new ATOM 0 HD2 HIS A 7 39.964 -2.577 12.197 1.00 0.00 H new ATOM 0 HE1 HIS A 7 43.007 -2.653 9.310 1.00 0.00 H new ATOM 0 HE2 HIS A 7 41.670 -3.966 11.033 1.00 0.00 H new ATOM 108 N PHE A 8 40.547 2.319 9.804 1.00 0.00 N ATOM 109 CA PHE A 8 41.105 3.650 9.418 1.00 0.00 C ATOM 110 C PHE A 8 41.308 3.797 7.897 1.00 0.00 C ATOM 111 O PHE A 8 41.893 4.765 7.450 1.00 0.00 O ATOM 112 CB PHE A 8 42.438 3.808 10.171 1.00 0.00 C ATOM 113 CG PHE A 8 43.359 2.593 9.923 1.00 0.00 C ATOM 114 CD1 PHE A 8 44.032 2.431 8.724 1.00 0.00 C ATOM 115 CD2 PHE A 8 43.521 1.637 10.911 1.00 0.00 C ATOM 116 CE1 PHE A 8 44.846 1.337 8.519 1.00 0.00 C ATOM 117 CE2 PHE A 8 44.335 0.544 10.705 1.00 0.00 C ATOM 118 CZ PHE A 8 44.998 0.392 9.509 1.00 0.00 C ATOM 0 H PHE A 8 41.257 1.619 10.018 1.00 0.00 H new ATOM 0 HA PHE A 8 40.398 4.434 9.689 1.00 0.00 H new ATOM 0 HB2 PHE A 8 42.938 4.721 9.846 1.00 0.00 H new ATOM 0 HB3 PHE A 8 42.247 3.912 11.239 1.00 0.00 H new ATOM 0 HD1 PHE A 8 43.918 3.168 7.943 1.00 0.00 H new ATOM 0 HD2 PHE A 8 43.004 1.749 11.853 1.00 0.00 H new ATOM 0 HE1 PHE A 8 45.366 1.221 7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 8 44.453 -0.195 11.484 1.00 0.00 H new ATOM 0 HZ PHE A 8 45.635 -0.465 9.347 1.00 0.00 H new ATOM 128 N TYR A 9 40.819 2.840 7.149 1.00 0.00 N ATOM 129 CA TYR A 9 40.960 2.873 5.659 1.00 0.00 C ATOM 130 C TYR A 9 40.055 3.919 4.962 1.00 0.00 C ATOM 131 O TYR A 9 38.988 3.605 4.472 1.00 0.00 O ATOM 132 CB TYR A 9 40.660 1.441 5.141 1.00 0.00 C ATOM 133 CG TYR A 9 41.516 1.154 3.895 1.00 0.00 C ATOM 134 CD1 TYR A 9 41.164 1.668 2.662 1.00 0.00 C ATOM 135 CD2 TYR A 9 42.655 0.376 3.991 1.00 0.00 C ATOM 136 CE1 TYR A 9 41.934 1.408 1.549 1.00 0.00 C ATOM 137 CE2 TYR A 9 43.424 0.118 2.876 1.00 0.00 C ATOM 138 CZ TYR A 9 43.069 0.632 1.647 1.00 0.00 C ATOM 139 OH TYR A 9 43.840 0.373 0.532 1.00 0.00 O ATOM 0 H TYR A 9 40.322 2.027 7.511 1.00 0.00 H new ATOM 0 HA TYR A 9 41.975 3.186 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 9 40.876 0.709 5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 9 39.602 1.345 4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 9 40.278 2.279 2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 9 42.945 -0.033 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 9 41.646 1.816 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 9 44.311 -0.491 2.966 1.00 0.00 H new ATOM 0 HH TYR A 9 44.602 -0.189 0.785 1.00 0.00 H new ATOM 149 N ARG A 10 40.543 5.138 4.961 1.00 0.00 N ATOM 150 CA ARG A 10 39.871 6.334 4.348 1.00 0.00 C ATOM 151 C ARG A 10 38.342 6.258 4.197 1.00 0.00 C ATOM 152 O ARG A 10 37.812 5.864 3.175 1.00 0.00 O ATOM 153 CB ARG A 10 40.526 6.586 2.959 1.00 0.00 C ATOM 154 CG ARG A 10 41.911 7.261 3.144 1.00 0.00 C ATOM 155 CD ARG A 10 41.734 8.769 3.481 1.00 0.00 C ATOM 156 NE ARG A 10 42.373 9.601 2.410 1.00 0.00 N ATOM 157 CZ ARG A 10 43.673 9.733 2.315 1.00 0.00 C ATOM 158 NH1 ARG A 10 44.434 9.585 3.365 1.00 0.00 N ATOM 159 NH2 ARG A 10 44.174 10.015 1.145 1.00 0.00 N ATOM 0 H ARG A 10 41.440 5.365 5.390 1.00 0.00 H new ATOM 0 HA ARG A 10 40.022 7.155 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 10 40.640 5.643 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 10 39.880 7.221 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 10 42.462 6.765 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 10 42.501 7.151 2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 10 40.675 9.012 3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 10 42.186 8.992 4.447 1.00 0.00 H new ATOM 0 HE ARG A 10 41.777 10.079 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 10 44.018 9.365 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 10 45.445 9.690 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 10 43.558 10.126 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 10 45.182 10.125 1.035 1.00 0.00 H new ATOM 173 N GLY A 11 37.700 6.651 5.263 1.00 0.00 N ATOM 174 CA GLY A 11 36.206 6.664 5.335 1.00 0.00 C ATOM 175 C GLY A 11 35.750 8.105 5.572 1.00 0.00 C ATOM 176 O GLY A 11 35.074 8.390 6.541 1.00 0.00 O ATOM 0 H GLY A 11 38.161 6.974 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 11 35.778 6.277 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.859 6.018 6.142 1.00 0.00 H new ATOM 180 N LYS A 12 36.152 8.959 4.662 1.00 0.00 N ATOM 181 CA LYS A 12 35.808 10.416 4.723 1.00 0.00 C ATOM 182 C LYS A 12 34.741 10.725 3.655 1.00 0.00 C ATOM 183 O LYS A 12 34.997 11.391 2.669 1.00 0.00 O ATOM 184 CB LYS A 12 37.127 11.217 4.487 1.00 0.00 C ATOM 185 CG LYS A 12 37.160 12.507 5.351 1.00 0.00 C ATOM 186 CD LYS A 12 36.395 13.666 4.662 1.00 0.00 C ATOM 187 CE LYS A 12 37.268 14.319 3.572 1.00 0.00 C ATOM 188 NZ LYS A 12 38.128 15.375 4.178 1.00 0.00 N ATOM 0 H LYS A 12 36.721 8.699 3.856 1.00 0.00 H new ATOM 0 HA LYS A 12 35.391 10.699 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 12 37.985 10.590 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 37.213 11.480 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 12 36.717 12.305 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 12 38.194 12.804 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 12 35.473 13.288 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 12 36.110 14.413 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 12 37.889 13.564 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 12 36.635 14.753 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 38.714 15.812 3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.528 16.101 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 38.743 14.950 4.901 1.00 0.00 H new ATOM 202 N ALA A 13 33.561 10.215 3.901 1.00 0.00 N ATOM 203 CA ALA A 13 32.407 10.418 2.967 1.00 0.00 C ATOM 204 C ALA A 13 31.137 10.687 3.750 1.00 0.00 C ATOM 205 O ALA A 13 30.693 9.854 4.517 1.00 0.00 O ATOM 206 CB ALA A 13 32.182 9.181 2.140 1.00 0.00 C ATOM 0 H ALA A 13 33.343 9.655 4.725 1.00 0.00 H new ATOM 0 HA ALA A 13 32.643 11.267 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 13 31.341 9.342 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.078 8.965 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.964 8.339 2.797 1.00 0.00 H new ATOM 212 N SER A 14 30.588 11.852 3.534 1.00 0.00 N ATOM 213 CA SER A 14 29.339 12.235 4.240 1.00 0.00 C ATOM 214 C SER A 14 28.228 12.031 3.206 1.00 0.00 C ATOM 215 O SER A 14 27.303 12.812 3.116 1.00 0.00 O ATOM 216 CB SER A 14 29.430 13.720 4.689 1.00 0.00 C ATOM 217 OG SER A 14 30.003 14.413 3.589 1.00 0.00 O ATOM 0 H SER A 14 30.956 12.556 2.895 1.00 0.00 H new ATOM 0 HA SER A 14 29.157 11.646 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.445 14.117 4.934 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.046 13.823 5.582 1.00 0.00 H new ATOM 0 HG SER A 14 30.087 15.364 3.809 1.00 0.00 H new ATOM 223 N THR A 15 28.398 10.969 2.454 1.00 0.00 N ATOM 224 CA THR A 15 27.445 10.552 1.373 1.00 0.00 C ATOM 225 C THR A 15 27.496 9.017 1.226 1.00 0.00 C ATOM 226 O THR A 15 28.532 8.464 0.909 1.00 0.00 O ATOM 227 CB THR A 15 27.847 11.215 0.032 1.00 0.00 C ATOM 228 OG1 THR A 15 29.265 11.128 -0.033 1.00 0.00 O ATOM 229 CG2 THR A 15 27.554 12.726 0.030 1.00 0.00 C ATOM 0 H THR A 15 29.198 10.344 2.551 1.00 0.00 H new ATOM 0 HA THR A 15 26.435 10.867 1.635 1.00 0.00 H new ATOM 0 HB THR A 15 27.305 10.727 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.557 10.270 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 15 27.850 13.153 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.488 12.890 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 15 28.116 13.207 0.831 1.00 0.00 H new ATOM 237 N ASP A 16 26.376 8.382 1.461 1.00 0.00 N ATOM 238 CA ASP A 16 26.254 6.901 1.365 1.00 0.00 C ATOM 239 C ASP A 16 25.645 6.485 0.020 1.00 0.00 C ATOM 240 O ASP A 16 25.200 7.313 -0.753 1.00 0.00 O ATOM 241 CB ASP A 16 25.389 6.445 2.590 1.00 0.00 C ATOM 242 CG ASP A 16 23.855 6.657 2.406 1.00 0.00 C ATOM 243 OD1 ASP A 16 23.306 6.448 1.335 1.00 0.00 O ATOM 244 OD2 ASP A 16 23.272 7.031 3.402 1.00 0.00 O ATOM 0 H ASP A 16 25.510 8.851 1.725 1.00 0.00 H new ATOM 0 HA ASP A 16 27.229 6.415 1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 16 25.578 5.388 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 16 25.716 6.992 3.475 1.00 0.00 H new ATOM 249 N THR A 17 25.654 5.190 -0.150 1.00 0.00 N ATOM 250 CA THR A 17 25.129 4.476 -1.373 1.00 0.00 C ATOM 251 C THR A 17 23.859 5.045 -2.023 1.00 0.00 C ATOM 252 O THR A 17 23.852 5.333 -3.204 1.00 0.00 O ATOM 253 CB THR A 17 24.826 2.987 -1.044 1.00 0.00 C ATOM 254 OG1 THR A 17 24.149 3.010 0.207 1.00 0.00 O ATOM 255 CG2 THR A 17 26.110 2.162 -0.841 1.00 0.00 C ATOM 0 H THR A 17 26.027 4.551 0.552 1.00 0.00 H new ATOM 0 HA THR A 17 25.938 4.613 -2.091 1.00 0.00 H new ATOM 0 HB THR A 17 24.261 2.539 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.778 2.783 0.924 1.00 0.00 H new ATOM 0 HG21 THR A 17 25.847 1.129 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 17 26.709 2.192 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 17 26.684 2.580 -0.015 1.00 0.00 H new ATOM 263 N MET A 18 22.822 5.193 -1.235 1.00 0.00 N ATOM 264 CA MET A 18 21.518 5.733 -1.746 1.00 0.00 C ATOM 265 C MET A 18 21.586 7.255 -1.962 1.00 0.00 C ATOM 266 O MET A 18 20.582 7.918 -2.139 1.00 0.00 O ATOM 267 CB MET A 18 20.426 5.363 -0.715 1.00 0.00 C ATOM 268 CG MET A 18 19.010 5.550 -1.309 1.00 0.00 C ATOM 269 SD MET A 18 17.736 4.392 -0.744 1.00 0.00 S ATOM 270 CE MET A 18 17.336 3.596 -2.321 1.00 0.00 C ATOM 0 H MET A 18 22.822 4.959 -0.242 1.00 0.00 H new ATOM 0 HA MET A 18 21.286 5.296 -2.717 1.00 0.00 H new ATOM 0 HB2 MET A 18 20.557 4.328 -0.398 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.536 5.985 0.174 1.00 0.00 H new ATOM 0 HG2 MET A 18 18.676 6.562 -1.082 1.00 0.00 H new ATOM 0 HG3 MET A 18 19.083 5.474 -2.394 1.00 0.00 H new ATOM 0 HE1 MET A 18 16.561 2.846 -2.164 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.977 4.346 -3.026 1.00 0.00 H new ATOM 0 HE3 MET A 18 18.229 3.117 -2.723 1.00 0.00 H new ATOM 280 N GLY A 19 22.795 7.750 -1.941 1.00 0.00 N ATOM 281 CA GLY A 19 23.055 9.206 -2.132 1.00 0.00 C ATOM 282 C GLY A 19 22.530 9.982 -0.923 1.00 0.00 C ATOM 283 O GLY A 19 22.166 11.136 -1.046 1.00 0.00 O ATOM 0 H GLY A 19 23.635 7.190 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 19 24.124 9.382 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.568 9.557 -3.042 1.00 0.00 H new ATOM 287 N ARG A 20 22.511 9.316 0.207 1.00 0.00 N ATOM 288 CA ARG A 20 22.013 9.975 1.460 1.00 0.00 C ATOM 289 C ARG A 20 23.231 10.440 2.283 1.00 0.00 C ATOM 290 O ARG A 20 24.101 9.641 2.554 1.00 0.00 O ATOM 291 CB ARG A 20 21.160 8.950 2.235 1.00 0.00 C ATOM 292 CG ARG A 20 19.710 9.481 2.308 1.00 0.00 C ATOM 293 CD ARG A 20 18.778 8.371 2.789 1.00 0.00 C ATOM 294 NE ARG A 20 18.766 7.311 1.740 1.00 0.00 N ATOM 295 CZ ARG A 20 17.823 6.410 1.753 1.00 0.00 C ATOM 296 NH1 ARG A 20 16.637 6.724 1.312 1.00 0.00 N ATOM 297 NH2 ARG A 20 18.102 5.223 2.210 1.00 0.00 N ATOM 0 H ARG A 20 22.817 8.349 0.318 1.00 0.00 H new ATOM 0 HA ARG A 20 21.395 10.846 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.185 7.981 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.561 8.803 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.658 10.332 2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.393 9.836 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.123 7.966 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.773 8.759 2.954 1.00 0.00 H new ATOM 0 HE ARG A 20 19.488 7.291 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.456 7.665 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.891 6.029 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.042 5.014 2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.381 4.502 2.230 1.00 0.00 H new ATOM 311 N PRO A 21 23.280 11.697 2.671 1.00 0.00 N ATOM 312 CA PRO A 21 24.424 12.232 3.455 1.00 0.00 C ATOM 313 C PRO A 21 24.741 11.668 4.857 1.00 0.00 C ATOM 314 O PRO A 21 23.916 11.709 5.746 1.00 0.00 O ATOM 315 CB PRO A 21 24.191 13.752 3.532 1.00 0.00 C ATOM 316 CG PRO A 21 22.771 14.031 2.972 1.00 0.00 C ATOM 317 CD PRO A 21 22.232 12.716 2.383 1.00 0.00 C ATOM 0 HA PRO A 21 25.315 11.906 2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.274 14.102 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 21 24.944 14.286 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.113 14.394 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 21 22.808 14.806 2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.281 12.442 2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.057 12.808 1.311 1.00 0.00 H new ATOM 325 N CYS A 22 25.943 11.156 5.001 1.00 0.00 N ATOM 326 CA CYS A 22 26.409 10.580 6.303 1.00 0.00 C ATOM 327 C CYS A 22 26.897 11.737 7.177 1.00 0.00 C ATOM 328 O CYS A 22 27.399 12.732 6.690 1.00 0.00 O ATOM 329 CB CYS A 22 27.552 9.606 6.072 1.00 0.00 C ATOM 330 SG CYS A 22 28.712 9.435 7.451 1.00 0.00 S ATOM 0 H CYS A 22 26.635 11.113 4.252 1.00 0.00 H new ATOM 0 HA CYS A 22 25.593 10.043 6.786 1.00 0.00 H new ATOM 0 HB2 CYS A 22 27.132 8.625 5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 22 28.107 9.925 5.189 1.00 0.00 H new ATOM 335 N LEU A 23 26.719 11.545 8.454 1.00 0.00 N ATOM 336 CA LEU A 23 27.120 12.572 9.482 1.00 0.00 C ATOM 337 C LEU A 23 28.146 12.227 10.650 1.00 0.00 C ATOM 338 O LEU A 23 28.798 11.180 10.671 1.00 0.00 O ATOM 339 CB LEU A 23 25.741 13.077 10.092 1.00 0.00 C ATOM 340 CG LEU A 23 24.477 12.245 9.722 1.00 0.00 C ATOM 341 CD1 LEU A 23 23.515 12.212 10.934 1.00 0.00 C ATOM 342 CD2 LEU A 23 23.765 12.903 8.511 1.00 0.00 C ATOM 0 H LEU A 23 26.303 10.701 8.847 1.00 0.00 H new ATOM 0 HA LEU A 23 27.729 13.295 8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 23 25.833 13.095 11.178 1.00 0.00 H new ATOM 0 HB3 LEU A 23 25.580 14.106 9.769 1.00 0.00 H new ATOM 0 HG LEU A 23 24.769 11.228 9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 23 22.629 11.631 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.018 11.753 11.785 1.00 0.00 H new ATOM 0 HD13 LEU A 23 23.220 13.229 11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 22.880 12.323 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.469 13.919 8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 23 24.445 12.930 7.660 1.00 0.00 H new ATOM 354 N PRO A 24 28.301 13.227 11.541 1.00 0.00 N ATOM 355 CA PRO A 24 29.158 13.151 12.765 1.00 0.00 C ATOM 356 C PRO A 24 28.766 11.925 13.594 1.00 0.00 C ATOM 357 O PRO A 24 27.599 11.606 13.697 1.00 0.00 O ATOM 358 CB PRO A 24 28.955 14.453 13.544 1.00 0.00 C ATOM 359 CG PRO A 24 28.262 15.431 12.582 1.00 0.00 C ATOM 360 CD PRO A 24 27.731 14.605 11.401 1.00 0.00 C ATOM 0 HA PRO A 24 30.212 13.041 12.510 1.00 0.00 H new ATOM 0 HB2 PRO A 24 28.345 14.284 14.431 1.00 0.00 H new ATOM 0 HB3 PRO A 24 29.909 14.854 13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 24 27.447 15.953 13.084 1.00 0.00 H new ATOM 0 HG3 PRO A 24 28.962 16.192 12.236 1.00 0.00 H new ATOM 0 HD2 PRO A 24 26.641 14.575 11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 24 28.029 15.052 10.453 1.00 0.00 H new ATOM 368 N TRP A 25 29.742 11.265 14.157 1.00 0.00 N ATOM 369 CA TRP A 25 29.519 10.062 14.983 1.00 0.00 C ATOM 370 C TRP A 25 29.126 10.458 16.377 1.00 0.00 C ATOM 371 O TRP A 25 28.227 9.952 17.018 1.00 0.00 O ATOM 372 CB TRP A 25 30.820 9.353 14.883 1.00 0.00 C ATOM 373 CG TRP A 25 30.688 8.775 13.497 1.00 0.00 C ATOM 374 CD1 TRP A 25 31.211 9.396 12.462 1.00 0.00 C ATOM 375 CD2 TRP A 25 30.015 7.730 13.062 1.00 0.00 C ATOM 376 NE1 TRP A 25 30.817 8.697 11.428 1.00 0.00 N ATOM 377 CE2 TRP A 25 30.069 7.638 11.684 1.00 0.00 C ATOM 378 CE3 TRP A 25 29.339 6.843 13.839 1.00 0.00 C ATOM 379 CZ2 TRP A 25 29.404 6.602 11.047 1.00 0.00 C ATOM 380 CZ3 TRP A 25 28.666 5.797 13.207 1.00 0.00 C ATOM 381 CH2 TRP A 25 28.696 5.678 11.806 1.00 0.00 C ATOM 0 H TRP A 25 30.723 11.530 14.069 1.00 0.00 H new ATOM 0 HA TRP A 25 28.700 9.419 14.660 1.00 0.00 H new ATOM 0 HB2 TRP A 25 31.672 10.027 14.976 1.00 0.00 H new ATOM 0 HB3 TRP A 25 30.937 8.585 15.647 1.00 0.00 H new ATOM 0 HD1 TRP A 25 31.827 10.283 12.465 1.00 0.00 H new ATOM 0 HE1 TRP A 25 31.074 8.956 10.475 1.00 0.00 H new ATOM 0 HE3 TRP A 25 29.323 6.945 14.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 29.436 6.514 9.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 28.120 5.075 13.796 1.00 0.00 H new ATOM 0 HH2 TRP A 25 28.169 4.870 11.321 1.00 0.00 H new ATOM 392 N ASN A 26 29.906 11.410 16.763 1.00 0.00 N ATOM 393 CA ASN A 26 29.821 12.055 18.075 1.00 0.00 C ATOM 394 C ASN A 26 28.687 13.114 18.067 1.00 0.00 C ATOM 395 O ASN A 26 28.610 13.953 18.944 1.00 0.00 O ATOM 396 CB ASN A 26 31.265 12.536 18.242 1.00 0.00 C ATOM 397 CG ASN A 26 31.540 13.832 17.457 1.00 0.00 C ATOM 398 OD1 ASN A 26 31.259 13.888 16.181 1.00 0.00 O flip ATOM 399 ND2 ASN A 26 32.015 14.808 18.002 1.00 0.00 N flip ATOM 0 H ASN A 26 30.649 11.788 16.175 1.00 0.00 H new ATOM 0 HA ASN A 26 29.528 11.452 18.934 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.471 12.703 19.299 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.947 11.756 17.904 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.239 14.778 18.997 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.190 15.657 17.465 1.00 0.00 H new ATOM 406 N SER A 27 27.842 13.027 17.059 1.00 0.00 N ATOM 407 CA SER A 27 26.681 13.961 16.893 1.00 0.00 C ATOM 408 C SER A 27 25.689 13.726 18.012 1.00 0.00 C ATOM 409 O SER A 27 25.565 12.638 18.529 1.00 0.00 O ATOM 410 CB SER A 27 25.937 13.720 15.559 1.00 0.00 C ATOM 411 OG SER A 27 25.831 12.311 15.462 1.00 0.00 O ATOM 0 H SER A 27 27.915 12.324 16.324 1.00 0.00 H new ATOM 0 HA SER A 27 27.075 14.977 16.907 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.955 14.193 15.561 1.00 0.00 H new ATOM 0 HB3 SER A 27 26.489 14.136 14.716 1.00 0.00 H new ATOM 0 HG SER A 27 26.163 12.017 14.588 1.00 0.00 H new ATOM 417 N ALA A 28 24.993 14.774 18.338 1.00 0.00 N ATOM 418 CA ALA A 28 23.966 14.716 19.424 1.00 0.00 C ATOM 419 C ALA A 28 22.917 13.656 19.059 1.00 0.00 C ATOM 420 O ALA A 28 22.120 13.252 19.884 1.00 0.00 O ATOM 421 CB ALA A 28 23.301 16.095 19.557 1.00 0.00 C ATOM 0 H ALA A 28 25.090 15.687 17.893 1.00 0.00 H new ATOM 0 HA ALA A 28 24.431 14.450 20.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.550 16.062 20.347 1.00 0.00 H new ATOM 0 HB2 ALA A 28 24.056 16.841 19.805 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.824 16.361 18.614 1.00 0.00 H new ATOM 427 N THR A 30 22.971 13.247 17.813 1.00 0.00 N ATOM 428 CA THR A 30 22.048 12.234 17.271 1.00 0.00 C ATOM 429 C THR A 30 22.644 10.813 17.220 1.00 0.00 C ATOM 430 O THR A 30 21.987 9.894 17.672 1.00 0.00 O ATOM 431 CB THR A 30 21.665 12.715 15.890 1.00 0.00 C ATOM 432 OG1 THR A 30 20.778 13.803 16.112 1.00 0.00 O ATOM 433 CG2 THR A 30 20.827 11.672 15.214 1.00 0.00 C ATOM 0 H THR A 30 23.648 13.596 17.135 1.00 0.00 H new ATOM 0 HA THR A 30 21.184 12.139 17.929 1.00 0.00 H new ATOM 0 HB THR A 30 22.551 12.952 15.301 1.00 0.00 H new ATOM 0 HG1 THR A 30 20.601 14.259 15.263 1.00 0.00 H new ATOM 0 HG21 THR A 30 20.550 12.017 14.218 1.00 0.00 H new ATOM 0 HG22 THR A 30 21.395 10.746 15.132 1.00 0.00 H new ATOM 0 HG23 THR A 30 19.925 11.494 15.800 1.00 0.00 H new ATOM 441 N VAL A 31 23.838 10.631 16.694 1.00 0.00 N ATOM 442 CA VAL A 31 24.383 9.253 16.652 1.00 0.00 C ATOM 443 C VAL A 31 24.859 8.921 18.026 1.00 0.00 C ATOM 444 O VAL A 31 24.596 7.824 18.453 1.00 0.00 O ATOM 445 CB VAL A 31 25.556 9.145 15.695 1.00 0.00 C ATOM 446 CG1 VAL A 31 26.216 7.805 15.892 1.00 0.00 C ATOM 447 CG2 VAL A 31 25.012 9.083 14.311 1.00 0.00 C ATOM 0 H VAL A 31 24.435 11.361 16.305 1.00 0.00 H new ATOM 0 HA VAL A 31 23.605 8.570 16.310 1.00 0.00 H new ATOM 0 HB VAL A 31 26.237 9.981 15.859 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.062 7.712 15.211 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.568 7.720 16.920 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.497 7.012 15.688 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.834 9.005 13.600 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.364 8.212 14.213 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.439 9.987 14.105 1.00 0.00 H new ATOM 457 N LEU A 32 25.528 9.862 18.647 1.00 0.00 N ATOM 458 CA LEU A 32 26.064 9.682 20.032 1.00 0.00 C ATOM 459 C LEU A 32 24.926 9.140 20.930 1.00 0.00 C ATOM 460 O LEU A 32 25.158 8.494 21.934 1.00 0.00 O ATOM 461 CB LEU A 32 26.536 11.015 20.527 1.00 0.00 C ATOM 462 CG LEU A 32 27.367 11.006 21.842 1.00 0.00 C ATOM 463 CD1 LEU A 32 26.472 10.928 23.108 1.00 0.00 C ATOM 464 CD2 LEU A 32 28.378 9.862 21.823 1.00 0.00 C ATOM 0 H LEU A 32 25.730 10.774 18.238 1.00 0.00 H new ATOM 0 HA LEU A 32 26.895 8.977 20.048 1.00 0.00 H new ATOM 0 HB2 LEU A 32 27.138 11.477 19.745 1.00 0.00 H new ATOM 0 HB3 LEU A 32 25.665 11.653 20.677 1.00 0.00 H new ATOM 0 HG LEU A 32 27.903 11.954 21.892 1.00 0.00 H new ATOM 0 HD11 LEU A 32 27.101 10.925 23.998 1.00 0.00 H new ATOM 0 HD12 LEU A 32 25.807 11.791 23.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 25.879 10.014 23.079 1.00 0.00 H new ATOM 0 HD21 LEU A 32 28.952 9.868 22.750 1.00 0.00 H new ATOM 0 HD22 LEU A 32 27.851 8.912 21.729 1.00 0.00 H new ATOM 0 HD23 LEU A 32 29.053 9.987 20.977 1.00 0.00 H new ATOM 476 N GLN A 33 23.721 9.438 20.499 1.00 0.00 N ATOM 477 CA GLN A 33 22.488 9.015 21.207 1.00 0.00 C ATOM 478 C GLN A 33 22.188 7.553 20.852 1.00 0.00 C ATOM 479 O GLN A 33 21.756 6.775 21.680 1.00 0.00 O ATOM 480 CB GLN A 33 21.358 10.018 20.757 1.00 0.00 C ATOM 481 CG GLN A 33 20.172 9.324 20.056 1.00 0.00 C ATOM 482 CD GLN A 33 19.206 10.389 19.521 1.00 0.00 C ATOM 483 OE1 GLN A 33 18.512 11.050 20.267 1.00 0.00 O ATOM 484 NE2 GLN A 33 19.134 10.584 18.232 1.00 0.00 N ATOM 0 H GLN A 33 23.546 9.978 19.652 1.00 0.00 H new ATOM 0 HA GLN A 33 22.577 9.050 22.293 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.991 10.557 21.631 1.00 0.00 H new ATOM 0 HB3 GLN A 33 21.787 10.759 20.083 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.533 8.700 19.238 1.00 0.00 H new ATOM 0 HG3 GLN A 33 19.656 8.666 20.755 1.00 0.00 H new ATOM 0 HE21 GLN A 33 19.714 10.033 17.600 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.498 11.288 17.857 1.00 0.00 H new ATOM 493 N GLN A 34 22.436 7.268 19.603 1.00 0.00 N ATOM 494 CA GLN A 34 22.240 5.921 19.001 1.00 0.00 C ATOM 495 C GLN A 34 23.130 4.859 19.676 1.00 0.00 C ATOM 496 O GLN A 34 23.440 4.938 20.848 1.00 0.00 O ATOM 497 CB GLN A 34 22.532 6.070 17.510 1.00 0.00 C ATOM 498 CG GLN A 34 21.695 5.080 16.658 1.00 0.00 C ATOM 499 CD GLN A 34 20.671 5.870 15.826 1.00 0.00 C ATOM 500 OE1 GLN A 34 19.873 6.710 16.427 1.00 0.00 O flip ATOM 501 NE2 GLN A 34 20.586 5.732 14.622 1.00 0.00 N flip ATOM 0 H GLN A 34 22.787 7.958 18.940 1.00 0.00 H new ATOM 0 HA GLN A 34 21.221 5.566 19.153 1.00 0.00 H new ATOM 0 HB2 GLN A 34 22.316 7.092 17.197 1.00 0.00 H new ATOM 0 HB3 GLN A 34 23.593 5.899 17.328 1.00 0.00 H new ATOM 0 HG2 GLN A 34 22.348 4.504 16.002 1.00 0.00 H new ATOM 0 HG3 GLN A 34 21.184 4.367 17.305 1.00 0.00 H new ATOM 0 HE21 GLN A 34 21.203 5.079 14.139 1.00 0.00 H new ATOM 0 HE22 GLN A 34 19.898 6.269 14.094 1.00 0.00 H new ATOM 510 N THR A 35 23.514 3.894 18.893 1.00 0.00 N ATOM 511 CA THR A 35 24.375 2.776 19.396 1.00 0.00 C ATOM 512 C THR A 35 25.820 2.833 18.912 1.00 0.00 C ATOM 513 O THR A 35 26.660 2.185 19.504 1.00 0.00 O ATOM 514 CB THR A 35 23.733 1.438 18.955 1.00 0.00 C ATOM 515 OG1 THR A 35 22.434 1.472 19.527 1.00 0.00 O ATOM 516 CG2 THR A 35 24.404 0.210 19.614 1.00 0.00 C ATOM 0 H THR A 35 23.266 3.826 17.906 1.00 0.00 H new ATOM 0 HA THR A 35 24.423 2.869 20.481 1.00 0.00 H new ATOM 0 HB THR A 35 23.798 1.346 17.871 1.00 0.00 H new ATOM 0 HG1 THR A 35 21.952 0.652 19.292 1.00 0.00 H new ATOM 0 HG21 THR A 35 23.914 -0.701 19.269 1.00 0.00 H new ATOM 0 HG22 THR A 35 25.459 0.181 19.340 1.00 0.00 H new ATOM 0 HG23 THR A 35 24.313 0.283 20.698 1.00 0.00 H new ATOM 524 N TYR A 36 26.092 3.585 17.874 1.00 0.00 N ATOM 525 CA TYR A 36 27.497 3.647 17.381 1.00 0.00 C ATOM 526 C TYR A 36 28.112 5.031 17.116 1.00 0.00 C ATOM 527 O TYR A 36 27.940 5.651 16.091 1.00 0.00 O ATOM 528 CB TYR A 36 27.538 2.835 16.158 1.00 0.00 C ATOM 529 CG TYR A 36 27.561 1.315 16.458 1.00 0.00 C ATOM 530 CD1 TYR A 36 28.532 0.748 17.266 1.00 0.00 C ATOM 531 CD2 TYR A 36 26.596 0.488 15.917 1.00 0.00 C ATOM 532 CE1 TYR A 36 28.533 -0.609 17.522 1.00 0.00 C ATOM 533 CE2 TYR A 36 26.600 -0.867 16.173 1.00 0.00 C ATOM 534 CZ TYR A 36 27.567 -1.426 16.978 1.00 0.00 C ATOM 535 OH TYR A 36 27.568 -2.783 17.229 1.00 0.00 O ATOM 0 H TYR A 36 25.415 4.147 17.357 1.00 0.00 H new ATOM 0 HA TYR A 36 28.119 3.278 18.196 1.00 0.00 H new ATOM 0 HB2 TYR A 36 26.670 3.068 15.542 1.00 0.00 H new ATOM 0 HB3 TYR A 36 28.421 3.101 15.578 1.00 0.00 H new ATOM 0 HD1 TYR A 36 29.297 1.374 17.701 1.00 0.00 H new ATOM 0 HD2 TYR A 36 25.828 0.908 15.285 1.00 0.00 H new ATOM 0 HE1 TYR A 36 29.298 -1.034 18.155 1.00 0.00 H new ATOM 0 HE2 TYR A 36 25.837 -1.496 15.738 1.00 0.00 H new ATOM 0 HH TYR A 36 26.814 -3.202 16.765 1.00 0.00 H new ATOM 545 N HIS A 37 28.816 5.414 18.134 1.00 0.00 N ATOM 546 CA HIS A 37 29.585 6.689 18.300 1.00 0.00 C ATOM 547 C HIS A 37 30.932 6.551 19.029 1.00 0.00 C ATOM 548 O HIS A 37 31.362 5.518 19.498 1.00 0.00 O ATOM 549 CB HIS A 37 28.709 7.637 19.076 1.00 0.00 C ATOM 550 CG HIS A 37 28.027 6.776 20.148 1.00 0.00 C ATOM 551 ND1 HIS A 37 28.588 6.065 21.070 1.00 0.00 N ATOM 552 CD2 HIS A 37 26.696 6.574 20.328 1.00 0.00 C ATOM 553 CE1 HIS A 37 27.669 5.468 21.766 1.00 0.00 C ATOM 554 NE2 HIS A 37 26.467 5.759 21.336 1.00 0.00 N ATOM 0 H HIS A 37 28.899 4.821 18.960 1.00 0.00 H new ATOM 0 HA HIS A 37 29.834 7.043 17.300 1.00 0.00 H new ATOM 0 HB2 HIS A 37 29.298 8.435 19.529 1.00 0.00 H new ATOM 0 HB3 HIS A 37 27.973 8.113 18.427 1.00 0.00 H new ATOM 0 HD2 HIS A 37 25.924 7.024 19.722 1.00 0.00 H new ATOM 0 HE1 HIS A 37 27.871 4.811 22.599 1.00 0.00 H new ATOM 0 HE2 HIS A 37 25.570 5.433 21.695 1.00 0.00 H new ATOM 562 N ALA A 39 31.494 7.724 19.053 1.00 0.00 N ATOM 563 CA ALA A 39 32.801 8.134 19.646 1.00 0.00 C ATOM 564 C ALA A 39 32.902 7.903 21.141 1.00 0.00 C ATOM 565 O ALA A 39 33.953 7.956 21.750 1.00 0.00 O ATOM 566 CB ALA A 39 32.946 9.598 19.452 1.00 0.00 C ATOM 0 H ALA A 39 31.027 8.522 18.622 1.00 0.00 H new ATOM 0 HA ALA A 39 33.565 7.533 19.154 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.894 9.929 19.876 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.925 9.828 18.387 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.126 10.114 19.951 1.00 0.00 H new ATOM 572 N HIS A 40 31.752 7.654 21.657 1.00 0.00 N ATOM 573 CA HIS A 40 31.564 7.442 23.076 1.00 0.00 C ATOM 574 C HIS A 40 32.206 6.170 23.608 1.00 0.00 C ATOM 575 O HIS A 40 32.958 6.205 24.564 1.00 0.00 O ATOM 576 CB HIS A 40 30.127 7.518 23.103 1.00 0.00 C ATOM 577 CG HIS A 40 29.670 8.168 24.319 1.00 0.00 C ATOM 578 ND1 HIS A 40 30.078 9.384 24.799 1.00 0.00 N flip ATOM 579 CD2 HIS A 40 28.795 7.713 25.100 1.00 0.00 C flip ATOM 580 CE1 HIS A 40 29.403 9.638 25.904 1.00 0.00 C flip ATOM 581 NE2 HIS A 40 28.626 8.580 26.044 1.00 0.00 N flip ATOM 0 H HIS A 40 30.893 7.588 21.111 1.00 0.00 H new ATOM 0 HA HIS A 40 32.056 8.144 23.750 1.00 0.00 H new ATOM 0 HB2 HIS A 40 29.771 8.070 22.234 1.00 0.00 H new ATOM 0 HB3 HIS A 40 29.704 6.516 23.039 1.00 0.00 H new ATOM 0 HD2 HIS A 40 28.279 6.770 25.000 1.00 0.00 H new ATOM 0 HE1 HIS A 40 29.470 10.506 26.543 1.00 0.00 H new ATOM 0 HE2 HIS A 40 27.965 8.460 26.812 1.00 0.00 H new ATOM 589 N ARG A 41 31.882 5.085 22.960 1.00 0.00 N ATOM 590 CA ARG A 41 32.445 3.779 23.381 1.00 0.00 C ATOM 591 C ARG A 41 33.873 3.779 22.799 1.00 0.00 C ATOM 592 O ARG A 41 34.073 3.752 21.601 1.00 0.00 O ATOM 593 CB ARG A 41 31.481 2.687 22.812 1.00 0.00 C ATOM 594 CG ARG A 41 31.530 2.605 21.273 1.00 0.00 C ATOM 595 CD ARG A 41 30.169 2.220 20.663 1.00 0.00 C ATOM 596 NE ARG A 41 29.678 0.977 21.330 1.00 0.00 N ATOM 597 CZ ARG A 41 28.408 0.685 21.291 1.00 0.00 C ATOM 598 NH1 ARG A 41 27.589 1.334 22.070 1.00 0.00 N ATOM 599 NH2 ARG A 41 27.998 -0.246 20.476 1.00 0.00 N ATOM 0 H ARG A 41 31.252 5.050 22.158 1.00 0.00 H new ATOM 0 HA ARG A 41 32.518 3.589 24.452 1.00 0.00 H new ATOM 0 HB2 ARG A 41 31.745 1.717 23.234 1.00 0.00 H new ATOM 0 HB3 ARG A 41 30.461 2.905 23.129 1.00 0.00 H new ATOM 0 HG2 ARG A 41 31.847 3.567 20.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 32.280 1.872 20.974 1.00 0.00 H new ATOM 0 HD2 ARG A 41 29.452 3.030 20.798 1.00 0.00 H new ATOM 0 HD3 ARG A 41 30.268 2.058 19.590 1.00 0.00 H new ATOM 0 HE ARG A 41 30.332 0.361 21.813 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.945 2.056 22.696 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.592 1.120 22.054 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.667 -0.734 19.881 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.008 -0.487 20.433 1.00 0.00 H new ATOM 613 N SER A 42 34.826 3.826 23.695 1.00 0.00 N ATOM 614 CA SER A 42 36.285 3.842 23.332 1.00 0.00 C ATOM 615 C SER A 42 36.662 2.887 22.197 1.00 0.00 C ATOM 616 O SER A 42 37.514 3.187 21.382 1.00 0.00 O ATOM 617 CB SER A 42 37.107 3.484 24.579 1.00 0.00 C ATOM 618 OG SER A 42 36.770 4.496 25.518 1.00 0.00 O ATOM 0 H SER A 42 34.650 3.855 24.699 1.00 0.00 H new ATOM 0 HA SER A 42 36.504 4.847 22.971 1.00 0.00 H new ATOM 0 HB2 SER A 42 36.853 2.492 24.953 1.00 0.00 H new ATOM 0 HB3 SER A 42 38.176 3.479 24.364 1.00 0.00 H new ATOM 0 HG SER A 42 37.256 4.341 26.355 1.00 0.00 H new ATOM 624 N ASP A 43 35.998 1.764 22.190 1.00 0.00 N ATOM 625 CA ASP A 43 36.255 0.730 21.149 1.00 0.00 C ATOM 626 C ASP A 43 35.745 1.094 19.759 1.00 0.00 C ATOM 627 O ASP A 43 36.381 0.735 18.792 1.00 0.00 O ATOM 628 CB ASP A 43 35.597 -0.569 21.534 1.00 0.00 C ATOM 629 CG ASP A 43 34.076 -0.363 21.729 1.00 0.00 C ATOM 630 OD1 ASP A 43 33.722 0.093 22.805 1.00 0.00 O ATOM 631 OD2 ASP A 43 33.351 -0.667 20.794 1.00 0.00 O ATOM 0 H ASP A 43 35.279 1.516 22.870 1.00 0.00 H new ATOM 0 HA ASP A 43 37.341 0.649 21.100 1.00 0.00 H new ATOM 0 HB2 ASP A 43 35.773 -1.317 20.761 1.00 0.00 H new ATOM 0 HB3 ASP A 43 36.040 -0.950 22.454 1.00 0.00 H new ATOM 636 N ALA A 44 34.627 1.775 19.696 1.00 0.00 N ATOM 637 CA ALA A 44 34.037 2.184 18.375 1.00 0.00 C ATOM 638 C ALA A 44 35.114 2.807 17.519 1.00 0.00 C ATOM 639 O ALA A 44 35.296 2.477 16.364 1.00 0.00 O ATOM 640 CB ALA A 44 32.959 3.226 18.562 1.00 0.00 C ATOM 0 H ALA A 44 34.089 2.070 20.511 1.00 0.00 H new ATOM 0 HA ALA A 44 33.616 1.294 17.908 1.00 0.00 H new ATOM 0 HB1 ALA A 44 32.549 3.504 17.591 1.00 0.00 H new ATOM 0 HB2 ALA A 44 32.165 2.819 19.188 1.00 0.00 H new ATOM 0 HB3 ALA A 44 33.384 4.107 19.042 1.00 0.00 H new ATOM 646 N LEU A 44A 35.785 3.707 18.181 1.00 0.00 N ATOM 647 CA LEU A 44A 36.888 4.446 17.537 1.00 0.00 C ATOM 648 C LEU A 44A 38.013 3.483 17.182 1.00 0.00 C ATOM 649 O LEU A 44A 38.561 3.575 16.101 1.00 0.00 O ATOM 650 CB LEU A 44A 37.436 5.521 18.492 1.00 0.00 C ATOM 651 CG LEU A 44A 36.291 6.400 19.089 1.00 0.00 C ATOM 652 CD1 LEU A 44A 36.421 6.424 20.632 1.00 0.00 C ATOM 653 CD2 LEU A 44A 36.398 7.841 18.541 1.00 0.00 C ATOM 0 H LEU A 44A 35.608 3.960 19.153 1.00 0.00 H new ATOM 0 HA LEU A 44A 36.507 4.922 16.634 1.00 0.00 H new ATOM 0 HB2 LEU A 44A 37.987 5.042 19.301 1.00 0.00 H new ATOM 0 HB3 LEU A 44A 38.142 6.157 17.958 1.00 0.00 H new ATOM 0 HG LEU A 44A 35.326 5.980 18.806 1.00 0.00 H new ATOM 0 HD11 LEU A 44A 35.624 7.036 21.055 1.00 0.00 H new ATOM 0 HD12 LEU A 44A 36.343 5.408 21.020 1.00 0.00 H new ATOM 0 HD13 LEU A 44A 37.388 6.845 20.909 1.00 0.00 H new ATOM 0 HD21 LEU A 44A 35.597 8.450 18.960 1.00 0.00 H new ATOM 0 HD22 LEU A 44A 37.362 8.266 18.821 1.00 0.00 H new ATOM 0 HD23 LEU A 44A 36.310 7.825 17.455 1.00 0.00 H new ATOM 665 N GLN A 44B 38.286 2.585 18.105 1.00 0.00 N ATOM 666 CA GLN A 44B 39.379 1.575 17.911 1.00 0.00 C ATOM 667 C GLN A 44B 38.985 0.517 16.877 1.00 0.00 C ATOM 668 O GLN A 44B 39.803 -0.253 16.412 1.00 0.00 O ATOM 669 CB GLN A 44B 39.664 0.920 19.279 1.00 0.00 C ATOM 670 CG GLN A 44B 41.106 0.376 19.329 1.00 0.00 C ATOM 671 CD GLN A 44B 41.382 -0.162 20.738 1.00 0.00 C ATOM 672 OE1 GLN A 44B 40.886 -1.199 21.131 1.00 0.00 O ATOM 673 NE2 GLN A 44B 42.168 0.512 21.532 1.00 0.00 N ATOM 0 H GLN A 44B 37.791 2.509 18.994 1.00 0.00 H new ATOM 0 HA GLN A 44B 40.273 2.069 17.531 1.00 0.00 H new ATOM 0 HB2 GLN A 44B 39.517 1.649 20.075 1.00 0.00 H new ATOM 0 HB3 GLN A 44B 38.957 0.109 19.455 1.00 0.00 H new ATOM 0 HG2 GLN A 44B 41.237 -0.415 18.591 1.00 0.00 H new ATOM 0 HG3 GLN A 44B 41.816 1.165 19.080 1.00 0.00 H new ATOM 0 HE21 GLN A 44B 42.590 1.384 21.212 1.00 0.00 H new ATOM 0 HE22 GLN A 44B 42.361 0.167 22.472 1.00 0.00 H new ATOM 682 N LEU A 44C 37.720 0.539 16.564 1.00 0.00 N ATOM 683 CA LEU A 44C 37.119 -0.397 15.585 1.00 0.00 C ATOM 684 C LEU A 44C 37.035 0.324 14.227 1.00 0.00 C ATOM 685 O LEU A 44C 36.979 -0.323 13.198 1.00 0.00 O ATOM 686 CB LEU A 44C 35.739 -0.801 16.182 1.00 0.00 C ATOM 687 CG LEU A 44C 34.732 -1.230 15.111 1.00 0.00 C ATOM 688 CD1 LEU A 44C 35.212 -2.520 14.397 1.00 0.00 C ATOM 689 CD2 LEU A 44C 33.367 -1.484 15.781 1.00 0.00 C ATOM 0 H LEU A 44C 37.054 1.198 16.967 1.00 0.00 H new ATOM 0 HA LEU A 44C 37.697 -1.304 15.410 1.00 0.00 H new ATOM 0 HB2 LEU A 44C 35.880 -1.618 16.890 1.00 0.00 H new ATOM 0 HB3 LEU A 44C 35.330 0.040 16.742 1.00 0.00 H new ATOM 0 HG LEU A 44C 34.642 -0.438 14.367 1.00 0.00 H new ATOM 0 HD11 LEU A 44C 34.483 -2.809 13.640 1.00 0.00 H new ATOM 0 HD12 LEU A 44C 36.176 -2.336 13.922 1.00 0.00 H new ATOM 0 HD13 LEU A 44C 35.315 -3.323 15.127 1.00 0.00 H new ATOM 0 HD21 LEU A 44C 32.643 -1.790 15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 44C 33.469 -2.272 16.527 1.00 0.00 H new ATOM 0 HD23 LEU A 44C 33.023 -0.569 16.264 1.00 0.00 H new ATOM 701 N GLY A 45 37.030 1.638 14.261 1.00 0.00 N ATOM 702 CA GLY A 45 36.955 2.407 12.984 1.00 0.00 C ATOM 703 C GLY A 45 36.446 3.850 13.072 1.00 0.00 C ATOM 704 O GLY A 45 36.455 4.505 12.047 1.00 0.00 O ATOM 0 H GLY A 45 37.074 2.202 15.110 1.00 0.00 H new ATOM 0 HA2 GLY A 45 37.950 2.425 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 45 36.309 1.861 12.297 1.00 0.00 H new ATOM 708 N LEU A 46 36.024 4.348 14.216 1.00 0.00 N ATOM 709 CA LEU A 46 35.537 5.757 14.236 1.00 0.00 C ATOM 710 C LEU A 46 36.526 6.748 14.770 1.00 0.00 C ATOM 711 O LEU A 46 37.547 6.407 15.335 1.00 0.00 O ATOM 712 CB LEU A 46 34.224 5.827 15.028 1.00 0.00 C ATOM 713 CG LEU A 46 33.274 4.708 14.555 1.00 0.00 C ATOM 714 CD1 LEU A 46 31.897 4.832 15.278 1.00 0.00 C ATOM 715 CD2 LEU A 46 33.148 4.828 13.002 1.00 0.00 C ATOM 0 H LEU A 46 35.998 3.853 15.107 1.00 0.00 H new ATOM 0 HA LEU A 46 35.378 6.045 13.197 1.00 0.00 H new ATOM 0 HB2 LEU A 46 34.425 5.721 16.094 1.00 0.00 H new ATOM 0 HB3 LEU A 46 33.754 6.800 14.887 1.00 0.00 H new ATOM 0 HG LEU A 46 33.663 3.721 14.805 1.00 0.00 H new ATOM 0 HD11 LEU A 46 31.234 4.037 14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 46 32.042 4.746 16.355 1.00 0.00 H new ATOM 0 HD13 LEU A 46 31.451 5.800 15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 46 32.481 4.050 12.630 1.00 0.00 H new ATOM 0 HD22 LEU A 46 32.743 5.807 12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 46 34.132 4.711 12.547 1.00 0.00 H new ATOM 727 N GLY A 47 36.170 7.980 14.547 1.00 0.00 N ATOM 728 CA GLY A 47 37.099 9.062 15.035 1.00 0.00 C ATOM 729 C GLY A 47 36.429 10.413 15.130 1.00 0.00 C ATOM 730 O GLY A 47 36.959 11.416 14.690 1.00 0.00 O ATOM 0 H GLY A 47 35.321 8.287 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 47 37.488 8.785 16.015 1.00 0.00 H new ATOM 0 HA3 GLY A 47 37.953 9.132 14.361 1.00 0.00 H new ATOM 734 N LYS A 48 35.269 10.369 15.722 1.00 0.00 N ATOM 735 CA LYS A 48 34.426 11.578 15.925 1.00 0.00 C ATOM 736 C LYS A 48 34.285 12.424 14.658 1.00 0.00 C ATOM 737 O LYS A 48 34.083 13.623 14.693 1.00 0.00 O ATOM 738 CB LYS A 48 35.029 12.450 17.069 1.00 0.00 C ATOM 739 CG LYS A 48 35.653 11.586 18.198 1.00 0.00 C ATOM 740 CD LYS A 48 35.570 12.334 19.553 1.00 0.00 C ATOM 741 CE LYS A 48 36.402 13.641 19.509 1.00 0.00 C ATOM 742 NZ LYS A 48 37.365 13.679 20.645 1.00 0.00 N ATOM 0 H LYS A 48 34.856 9.511 16.087 1.00 0.00 H new ATOM 0 HA LYS A 48 33.428 11.231 16.193 1.00 0.00 H new ATOM 0 HB2 LYS A 48 35.791 13.111 16.656 1.00 0.00 H new ATOM 0 HB3 LYS A 48 34.249 13.085 17.489 1.00 0.00 H new ATOM 0 HG2 LYS A 48 35.129 10.633 18.268 1.00 0.00 H new ATOM 0 HG3 LYS A 48 36.693 11.362 17.961 1.00 0.00 H new ATOM 0 HD2 LYS A 48 34.530 12.567 19.783 1.00 0.00 H new ATOM 0 HD3 LYS A 48 35.937 11.690 20.353 1.00 0.00 H new ATOM 0 HE2 LYS A 48 36.941 13.705 18.564 1.00 0.00 H new ATOM 0 HE3 LYS A 48 35.738 14.504 19.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.916 14.560 20.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 36.843 13.639 21.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.009 12.865 20.582 1.00 0.00 H new ATOM 756 N HIS A 48A 34.399 11.718 13.567 1.00 0.00 N ATOM 757 CA HIS A 48A 34.288 12.339 12.211 1.00 0.00 C ATOM 758 C HIS A 48A 32.819 12.495 11.973 1.00 0.00 C ATOM 759 O HIS A 48A 32.036 12.361 12.886 1.00 0.00 O ATOM 760 CB HIS A 48A 34.852 11.424 11.116 1.00 0.00 C ATOM 761 CG HIS A 48A 34.530 10.000 11.395 1.00 0.00 C ATOM 762 ND1 HIS A 48A 33.555 9.346 10.879 1.00 0.00 N ATOM 763 CD2 HIS A 48A 35.131 9.122 12.209 1.00 0.00 C ATOM 764 CE1 HIS A 48A 33.584 8.157 11.367 1.00 0.00 C ATOM 765 NE2 HIS A 48A 34.549 7.960 12.201 1.00 0.00 N ATOM 0 H HIS A 48A 34.569 10.712 13.556 1.00 0.00 H new ATOM 0 HA HIS A 48A 34.845 13.275 12.176 1.00 0.00 H new ATOM 0 HB2 HIS A 48A 34.440 11.711 10.149 1.00 0.00 H new ATOM 0 HB3 HIS A 48A 35.933 11.551 11.052 1.00 0.00 H new ATOM 0 HD1 HIS A 48A 32.879 9.704 10.204 1.00 0.00 H new ATOM 0 HD2 HIS A 48A 36.001 9.354 12.805 1.00 0.00 H new ATOM 0 HE1 HIS A 48A 32.867 7.394 11.103 1.00 0.00 H new ATOM 773 N ASN A 49 32.547 12.786 10.740 1.00 0.00 N ATOM 774 CA ASN A 49 31.147 12.983 10.239 1.00 0.00 C ATOM 775 C ASN A 49 31.112 12.226 8.925 1.00 0.00 C ATOM 776 O ASN A 49 30.692 12.730 7.900 1.00 0.00 O ATOM 777 CB ASN A 49 30.918 14.403 9.983 1.00 0.00 C ATOM 778 CG ASN A 49 31.290 15.411 11.078 1.00 0.00 C ATOM 779 OD1 ASN A 49 31.713 15.094 12.171 1.00 0.00 O ATOM 780 ND2 ASN A 49 31.137 16.675 10.796 1.00 0.00 N ATOM 0 H ASN A 49 33.262 12.902 10.021 1.00 0.00 H new ATOM 0 HA ASN A 49 30.392 12.641 10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 49 31.471 14.671 9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 49 29.860 14.533 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 49 31.372 17.384 11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 49 30.782 16.954 9.881 1.00 0.00 H new ATOM 787 N TYR A 50 31.526 11.007 9.055 1.00 0.00 N ATOM 788 CA TYR A 50 31.634 10.091 7.896 1.00 0.00 C ATOM 789 C TYR A 50 31.440 8.576 8.019 1.00 0.00 C ATOM 790 O TYR A 50 31.589 7.975 9.061 1.00 0.00 O ATOM 791 CB TYR A 50 32.992 10.324 7.336 1.00 0.00 C ATOM 792 CG TYR A 50 33.244 11.799 7.012 1.00 0.00 C ATOM 793 CD1 TYR A 50 32.491 12.433 6.065 1.00 0.00 C ATOM 794 CD2 TYR A 50 34.194 12.525 7.678 1.00 0.00 C ATOM 795 CE1 TYR A 50 32.659 13.758 5.773 1.00 0.00 C ATOM 796 CE2 TYR A 50 34.372 13.855 7.400 1.00 0.00 C ATOM 797 CZ TYR A 50 33.610 14.492 6.444 1.00 0.00 C ATOM 798 OH TYR A 50 33.803 15.830 6.167 1.00 0.00 O ATOM 0 H TYR A 50 31.803 10.593 9.945 1.00 0.00 H new ATOM 0 HA TYR A 50 30.760 10.353 7.300 1.00 0.00 H new ATOM 0 HB2 TYR A 50 33.740 9.978 8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 50 33.116 9.730 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 50 31.740 11.870 5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 50 34.807 12.047 8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 50 32.047 14.228 5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 50 35.122 14.414 7.939 1.00 0.00 H new ATOM 0 HH TYR A 50 34.516 16.183 6.740 1.00 0.00 H new ATOM 808 N CYS A 51 31.124 7.998 6.887 1.00 0.00 N ATOM 809 CA CYS A 51 30.915 6.520 6.862 1.00 0.00 C ATOM 810 C CYS A 51 32.185 5.772 7.232 1.00 0.00 C ATOM 811 O CYS A 51 33.179 5.825 6.533 1.00 0.00 O ATOM 812 CB CYS A 51 30.493 6.007 5.464 1.00 0.00 C ATOM 813 SG CYS A 51 31.083 6.930 4.025 1.00 0.00 S ATOM 0 H CYS A 51 31.004 8.476 5.994 1.00 0.00 H new ATOM 0 HA CYS A 51 30.123 6.333 7.587 1.00 0.00 H new ATOM 0 HB2 CYS A 51 30.835 4.977 5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 51 29.404 5.987 5.427 1.00 0.00 H new ATOM 818 N ARG A 52 32.084 5.102 8.345 1.00 0.00 N ATOM 819 CA ARG A 52 33.224 4.309 8.848 1.00 0.00 C ATOM 820 C ARG A 52 32.721 2.931 9.275 1.00 0.00 C ATOM 821 O ARG A 52 31.687 2.476 8.833 1.00 0.00 O ATOM 822 CB ARG A 52 33.876 5.098 9.998 1.00 0.00 C ATOM 823 CG ARG A 52 34.975 6.041 9.423 1.00 0.00 C ATOM 824 CD ARG A 52 36.160 5.212 8.870 1.00 0.00 C ATOM 825 NE ARG A 52 37.278 6.145 8.535 1.00 0.00 N ATOM 826 CZ ARG A 52 38.376 5.691 7.985 1.00 0.00 C ATOM 827 NH1 ARG A 52 38.316 4.662 7.185 1.00 0.00 N ATOM 828 NH2 ARG A 52 39.502 6.288 8.253 1.00 0.00 N ATOM 0 H ARG A 52 31.249 5.074 8.929 1.00 0.00 H new ATOM 0 HA ARG A 52 33.981 4.144 8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 52 33.122 5.681 10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 52 34.314 4.411 10.722 1.00 0.00 H new ATOM 0 HG2 ARG A 52 34.554 6.660 8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 52 35.328 6.717 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 52 36.487 4.480 9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 52 35.852 4.656 7.984 1.00 0.00 H new ATOM 0 HE ARG A 52 37.185 7.141 8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 52 37.418 4.218 6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 52 39.167 4.302 6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 52 39.516 7.092 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 52 40.370 5.951 7.836 1.00 0.00 H new ATOM 842 N ASN A 53 33.477 2.311 10.127 1.00 0.00 N ATOM 843 CA ASN A 53 33.174 0.945 10.659 1.00 0.00 C ATOM 844 C ASN A 53 32.615 0.734 12.093 1.00 0.00 C ATOM 845 O ASN A 53 33.119 -0.127 12.789 1.00 0.00 O ATOM 846 CB ASN A 53 34.439 0.248 10.517 1.00 0.00 C ATOM 847 CG ASN A 53 34.274 -1.249 10.260 1.00 0.00 C ATOM 848 OD1 ASN A 53 33.363 -1.681 9.584 1.00 0.00 O ATOM 849 ND2 ASN A 53 35.139 -2.065 10.791 1.00 0.00 N ATOM 0 H ASN A 53 34.338 2.711 10.499 1.00 0.00 H new ATOM 0 HA ASN A 53 32.314 0.588 10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 53 35.001 0.692 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 53 35.030 0.392 11.422 1.00 0.00 H new ATOM 0 HD21 ASN A 53 35.052 -3.070 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 53 35.904 -1.699 11.359 1.00 0.00 H new ATOM 856 N PRO A 54 31.625 1.452 12.536 1.00 0.00 N ATOM 857 CA PRO A 54 31.103 1.241 13.911 1.00 0.00 C ATOM 858 C PRO A 54 30.660 -0.203 14.228 1.00 0.00 C ATOM 859 O PRO A 54 30.347 -0.499 15.363 1.00 0.00 O ATOM 860 CB PRO A 54 29.971 2.219 14.046 1.00 0.00 C ATOM 861 CG PRO A 54 29.954 3.086 12.767 1.00 0.00 C ATOM 862 CD PRO A 54 30.936 2.508 11.769 1.00 0.00 C ATOM 0 HA PRO A 54 31.898 1.405 14.638 1.00 0.00 H new ATOM 0 HB2 PRO A 54 29.023 1.695 14.167 1.00 0.00 H new ATOM 0 HB3 PRO A 54 30.105 2.842 14.930 1.00 0.00 H new ATOM 0 HG2 PRO A 54 28.951 3.108 12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 54 30.221 4.115 13.006 1.00 0.00 H new ATOM 0 HD2 PRO A 54 30.427 2.102 10.895 1.00 0.00 H new ATOM 0 HD3 PRO A 54 31.634 3.264 11.409 1.00 0.00 H new ATOM 870 N ASP A 55 30.647 -1.053 13.229 1.00 0.00 N ATOM 871 CA ASP A 55 30.233 -2.473 13.428 1.00 0.00 C ATOM 872 C ASP A 55 31.279 -3.460 12.872 1.00 0.00 C ATOM 873 O ASP A 55 32.007 -4.055 13.643 1.00 0.00 O ATOM 874 CB ASP A 55 28.860 -2.652 12.731 1.00 0.00 C ATOM 875 CG ASP A 55 28.287 -4.040 13.053 1.00 0.00 C ATOM 876 OD1 ASP A 55 27.818 -4.185 14.172 1.00 0.00 O ATOM 877 OD2 ASP A 55 28.354 -4.871 12.161 1.00 0.00 O ATOM 0 H ASP A 55 30.910 -0.817 12.272 1.00 0.00 H new ATOM 0 HA ASP A 55 30.154 -2.694 14.492 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.169 -1.878 13.065 1.00 0.00 H new ATOM 0 HB3 ASP A 55 28.972 -2.536 11.653 1.00 0.00 H new ATOM 882 N ASN A 56 31.316 -3.584 11.564 1.00 0.00 N ATOM 883 CA ASN A 56 32.238 -4.484 10.796 1.00 0.00 C ATOM 884 C ASN A 56 31.448 -4.827 9.522 1.00 0.00 C ATOM 885 O ASN A 56 31.341 -5.969 9.118 1.00 0.00 O ATOM 886 CB ASN A 56 32.568 -5.818 11.582 1.00 0.00 C ATOM 887 CG ASN A 56 33.966 -5.750 12.219 1.00 0.00 C ATOM 888 OD1 ASN A 56 34.549 -4.597 12.390 1.00 0.00 O flip ATOM 889 ND2 ASN A 56 34.545 -6.758 12.569 1.00 0.00 N flip ATOM 0 H ASN A 56 30.693 -3.053 10.955 1.00 0.00 H new ATOM 0 HA ASN A 56 33.196 -3.999 10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 56 31.819 -5.983 12.357 1.00 0.00 H new ATOM 0 HB3 ASN A 56 32.515 -6.668 10.902 1.00 0.00 H new ATOM 0 HD21 ASN A 56 34.104 -7.669 12.443 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.472 -6.694 12.989 1.00 0.00 H new ATOM 896 N ARG A 57 30.904 -3.800 8.913 1.00 0.00 N ATOM 897 CA ARG A 57 30.115 -3.994 7.674 1.00 0.00 C ATOM 898 C ARG A 57 31.097 -4.305 6.549 1.00 0.00 C ATOM 899 O ARG A 57 32.218 -3.838 6.571 1.00 0.00 O ATOM 900 CB ARG A 57 29.324 -2.724 7.401 1.00 0.00 C ATOM 901 CG ARG A 57 27.996 -3.074 6.670 1.00 0.00 C ATOM 902 CD ARG A 57 26.796 -2.438 7.406 1.00 0.00 C ATOM 903 NE ARG A 57 26.613 -3.119 8.729 1.00 0.00 N ATOM 904 CZ ARG A 57 25.997 -4.270 8.824 1.00 0.00 C ATOM 905 NH1 ARG A 57 24.962 -4.525 8.070 1.00 0.00 N ATOM 906 NH2 ARG A 57 26.444 -5.139 9.685 1.00 0.00 N ATOM 0 H ARG A 57 30.978 -2.833 9.230 1.00 0.00 H new ATOM 0 HA ARG A 57 29.406 -4.817 7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 57 29.109 -2.211 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 57 29.916 -2.041 6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 57 28.033 -2.714 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 57 27.872 -4.156 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 57 26.968 -1.372 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 57 25.892 -2.536 6.805 1.00 0.00 H new ATOM 0 HE ARG A 57 26.976 -2.676 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 57 24.631 -3.826 7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 57 24.484 -5.423 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 57 27.254 -4.914 10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 57 25.984 -6.044 9.781 1.00 0.00 H new ATOM 920 N ARG A 58 30.658 -5.082 5.598 1.00 0.00 N ATOM 921 CA ARG A 58 31.540 -5.459 4.439 1.00 0.00 C ATOM 922 C ARG A 58 32.201 -4.237 3.764 1.00 0.00 C ATOM 923 O ARG A 58 33.116 -4.379 2.977 1.00 0.00 O ATOM 924 CB ARG A 58 30.689 -6.246 3.400 1.00 0.00 C ATOM 925 CG ARG A 58 31.186 -7.713 3.316 1.00 0.00 C ATOM 926 CD ARG A 58 30.417 -8.607 4.325 1.00 0.00 C ATOM 927 NE ARG A 58 31.351 -9.620 4.915 1.00 0.00 N ATOM 928 CZ ARG A 58 32.030 -10.446 4.160 1.00 0.00 C ATOM 929 NH1 ARG A 58 31.465 -10.984 3.113 1.00 0.00 N ATOM 930 NH2 ARG A 58 33.266 -10.707 4.483 1.00 0.00 N ATOM 0 H ARG A 58 29.719 -5.479 5.567 1.00 0.00 H new ATOM 0 HA ARG A 58 32.352 -6.076 4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 58 29.638 -6.225 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 58 30.762 -5.771 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.046 -8.093 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.255 -7.754 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 58 29.985 -7.992 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 58 29.590 -9.109 3.824 1.00 0.00 H new ATOM 0 HE ARG A 58 31.460 -9.667 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 58 30.496 -10.760 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 58 31.992 -11.628 2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 58 33.681 -10.271 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 58 33.818 -11.347 3.912 1.00 0.00 H new ATOM 944 N ARG A 60 31.702 -3.076 4.103 1.00 0.00 N ATOM 945 CA ARG A 60 32.218 -1.788 3.557 1.00 0.00 C ATOM 946 C ARG A 60 31.809 -0.695 4.559 1.00 0.00 C ATOM 947 O ARG A 60 30.749 -0.804 5.143 1.00 0.00 O ATOM 948 CB ARG A 60 31.587 -1.515 2.177 1.00 0.00 C ATOM 949 CG ARG A 60 30.055 -1.808 2.159 1.00 0.00 C ATOM 950 CD ARG A 60 29.792 -3.292 1.803 1.00 0.00 C ATOM 951 NE ARG A 60 28.763 -3.349 0.722 1.00 0.00 N ATOM 952 CZ ARG A 60 28.608 -4.444 0.030 1.00 0.00 C ATOM 953 NH1 ARG A 60 29.561 -4.824 -0.776 1.00 0.00 N ATOM 954 NH2 ARG A 60 27.505 -5.125 0.167 1.00 0.00 N ATOM 0 H ARG A 60 30.930 -2.967 4.760 1.00 0.00 H new ATOM 0 HA ARG A 60 33.300 -1.813 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.759 -0.475 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 60 32.081 -2.131 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 60 29.623 -1.579 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 60 29.563 -1.161 1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 60 30.714 -3.771 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 60 29.447 -3.836 2.682 1.00 0.00 H new ATOM 0 HE ARG A 60 28.183 -2.534 0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 60 30.412 -4.267 -0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 60 29.455 -5.678 -1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 60 26.781 -4.799 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 60 27.366 -5.984 -0.366 1.00 0.00 H new ATOM 968 N PRO A 61 32.624 0.322 4.746 1.00 0.00 N ATOM 969 CA PRO A 61 32.314 1.415 5.692 1.00 0.00 C ATOM 970 C PRO A 61 30.879 1.931 5.477 1.00 0.00 C ATOM 971 O PRO A 61 30.485 2.159 4.351 1.00 0.00 O ATOM 972 CB PRO A 61 33.362 2.507 5.451 1.00 0.00 C ATOM 973 CG PRO A 61 34.438 1.885 4.529 1.00 0.00 C ATOM 974 CD PRO A 61 33.914 0.507 4.056 1.00 0.00 C ATOM 0 HA PRO A 61 32.356 1.075 6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 61 32.910 3.383 4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 61 33.801 2.838 6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 61 34.631 2.534 3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 61 35.381 1.772 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 61 33.788 0.485 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 61 34.614 -0.289 4.311 1.00 0.00 H new ATOM 982 N TRP A 62 30.153 2.090 6.553 1.00 0.00 N ATOM 983 CA TRP A 62 28.755 2.577 6.516 1.00 0.00 C ATOM 984 C TRP A 62 28.590 3.786 7.436 1.00 0.00 C ATOM 985 O TRP A 62 29.521 4.225 8.080 1.00 0.00 O ATOM 986 CB TRP A 62 27.758 1.554 7.012 1.00 0.00 C ATOM 987 CG TRP A 62 28.235 1.010 8.315 1.00 0.00 C ATOM 988 CD1 TRP A 62 29.273 0.188 8.393 1.00 0.00 C ATOM 989 CD2 TRP A 62 27.742 1.281 9.523 1.00 0.00 C ATOM 990 NE1 TRP A 62 29.390 -0.023 9.687 1.00 0.00 N ATOM 991 CE2 TRP A 62 28.507 0.598 10.456 1.00 0.00 C ATOM 992 CE3 TRP A 62 26.672 2.088 9.917 1.00 0.00 C ATOM 993 CZ2 TRP A 62 28.224 0.713 11.799 1.00 0.00 C ATOM 994 CZ3 TRP A 62 26.386 2.201 11.281 1.00 0.00 C ATOM 995 CH2 TRP A 62 27.162 1.515 12.223 1.00 0.00 C ATOM 0 H TRP A 62 30.495 1.891 7.493 1.00 0.00 H new ATOM 0 HA TRP A 62 28.561 2.812 5.469 1.00 0.00 H new ATOM 0 HB2 TRP A 62 26.776 2.011 7.131 1.00 0.00 H new ATOM 0 HB3 TRP A 62 27.649 0.750 6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 62 29.875 -0.211 7.590 1.00 0.00 H new ATOM 0 HE1 TRP A 62 30.115 -0.627 10.074 1.00 0.00 H new ATOM 0 HE3 TRP A 62 26.078 2.613 9.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 28.823 0.183 12.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 25.564 2.820 11.609 1.00 0.00 H new ATOM 0 HH2 TRP A 62 26.940 1.606 13.276 1.00 0.00 H new ATOM 1006 N CYS A 63 27.374 4.253 7.463 1.00 0.00 N ATOM 1007 CA CYS A 63 27.011 5.442 8.313 1.00 0.00 C ATOM 1008 C CYS A 63 25.514 5.594 8.432 1.00 0.00 C ATOM 1009 O CYS A 63 24.790 5.013 7.654 1.00 0.00 O ATOM 1010 CB CYS A 63 27.489 6.736 7.706 1.00 0.00 C ATOM 1011 SG CYS A 63 27.860 8.155 8.761 1.00 0.00 S ATOM 0 H CYS A 63 26.599 3.862 6.928 1.00 0.00 H new ATOM 0 HA CYS A 63 27.482 5.257 9.278 1.00 0.00 H new ATOM 0 HB2 CYS A 63 28.392 6.512 7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 63 26.732 7.056 6.990 1.00 0.00 H new ATOM 1016 N TYR A 64 25.124 6.390 9.397 1.00 0.00 N ATOM 1017 CA TYR A 64 23.687 6.657 9.646 1.00 0.00 C ATOM 1018 C TYR A 64 23.488 7.979 8.917 1.00 0.00 C ATOM 1019 O TYR A 64 24.414 8.765 8.820 1.00 0.00 O ATOM 1020 CB TYR A 64 23.368 6.932 11.059 1.00 0.00 C ATOM 1021 CG TYR A 64 23.665 5.824 12.072 1.00 0.00 C ATOM 1022 CD1 TYR A 64 24.937 5.619 12.568 1.00 0.00 C ATOM 1023 CD2 TYR A 64 22.634 5.024 12.520 1.00 0.00 C ATOM 1024 CE1 TYR A 64 25.166 4.627 13.499 1.00 0.00 C ATOM 1025 CE2 TYR A 64 22.868 4.036 13.448 1.00 0.00 C ATOM 1026 CZ TYR A 64 24.134 3.831 13.944 1.00 0.00 C ATOM 1027 OH TYR A 64 24.360 2.842 14.879 1.00 0.00 O ATOM 0 H TYR A 64 25.760 6.872 10.032 1.00 0.00 H new ATOM 0 HA TYR A 64 23.080 5.804 9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.918 7.823 11.362 1.00 0.00 H new ATOM 0 HB3 TYR A 64 22.307 7.174 11.125 1.00 0.00 H new ATOM 0 HD1 TYR A 64 25.755 6.237 12.226 1.00 0.00 H new ATOM 0 HD2 TYR A 64 21.635 5.175 12.139 1.00 0.00 H new ATOM 0 HE1 TYR A 64 26.164 4.473 13.882 1.00 0.00 H new ATOM 0 HE2 TYR A 64 22.052 3.417 13.789 1.00 0.00 H new ATOM 0 HH TYR A 64 23.518 2.380 15.077 1.00 0.00 H new ATOM 1037 N VAL A 65 22.303 8.199 8.433 1.00 0.00 N ATOM 1038 CA VAL A 65 22.021 9.438 7.714 1.00 0.00 C ATOM 1039 C VAL A 65 20.731 10.097 8.197 1.00 0.00 C ATOM 1040 O VAL A 65 19.644 9.660 7.872 1.00 0.00 O ATOM 1041 CB VAL A 65 21.969 9.036 6.254 1.00 0.00 C ATOM 1042 CG1 VAL A 65 21.469 10.210 5.461 1.00 0.00 C ATOM 1043 CG2 VAL A 65 23.378 8.591 5.801 1.00 0.00 C ATOM 0 H VAL A 65 21.515 7.556 8.513 1.00 0.00 H new ATOM 0 HA VAL A 65 22.784 10.197 7.886 1.00 0.00 H new ATOM 0 HB VAL A 65 21.291 8.197 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 65 21.423 9.943 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 65 20.474 10.487 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 65 22.147 11.053 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 65 23.348 8.300 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 65 24.079 9.416 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 65 23.703 7.742 6.403 1.00 0.00 H new ATOM 1053 N GLN A 66 20.912 11.133 8.974 1.00 0.00 N ATOM 1054 CA GLN A 66 19.744 11.887 9.510 1.00 0.00 C ATOM 1055 C GLN A 66 18.934 12.418 8.337 1.00 0.00 C ATOM 1056 O GLN A 66 19.408 13.225 7.560 1.00 0.00 O ATOM 1057 CB GLN A 66 20.230 13.062 10.362 1.00 0.00 C ATOM 1058 CG GLN A 66 20.241 12.612 11.813 1.00 0.00 C ATOM 1059 CD GLN A 66 18.930 13.044 12.478 1.00 0.00 C ATOM 1060 OE1 GLN A 66 17.845 12.386 12.189 1.00 0.00 O flip ATOM 1061 NE2 GLN A 66 18.882 13.974 13.257 1.00 0.00 N flip ATOM 0 H GLN A 66 21.824 11.490 9.261 1.00 0.00 H new ATOM 0 HA GLN A 66 19.132 11.230 10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 66 21.228 13.372 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 66 19.574 13.923 10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 66 20.354 11.529 11.871 1.00 0.00 H new ATOM 0 HG3 GLN A 66 21.091 13.049 12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 66 19.730 14.492 13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.993 14.237 13.683 1.00 0.00 H new ATOM 1070 N VAL A 66A 17.730 11.925 8.269 1.00 0.00 N ATOM 1071 CA VAL A 66A 16.802 12.338 7.177 1.00 0.00 C ATOM 1072 C VAL A 66A 15.480 12.729 7.841 1.00 0.00 C ATOM 1073 O VAL A 66A 14.685 11.874 8.182 1.00 0.00 O ATOM 1074 CB VAL A 66A 16.606 11.141 6.192 1.00 0.00 C ATOM 1075 CG1 VAL A 66A 15.551 11.505 5.119 1.00 0.00 C ATOM 1076 CG2 VAL A 66A 17.941 10.803 5.480 1.00 0.00 C ATOM 0 H VAL A 66A 17.345 11.248 8.928 1.00 0.00 H new ATOM 0 HA VAL A 66A 17.194 13.179 6.605 1.00 0.00 H new ATOM 0 HB VAL A 66A 16.270 10.278 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 66A 15.421 10.665 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 66A 14.601 11.729 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 66A 15.887 12.378 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 66A 17.788 9.967 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 66A 18.284 11.672 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 66A 18.691 10.532 6.223 1.00 0.00 H new ATOM 1086 N GLY A 67 15.286 14.014 8.008 1.00 0.00 N ATOM 1087 CA GLY A 67 14.033 14.521 8.648 1.00 0.00 C ATOM 1088 C GLY A 67 13.884 13.903 10.041 1.00 0.00 C ATOM 1089 O GLY A 67 12.894 13.262 10.335 1.00 0.00 O ATOM 0 H GLY A 67 15.947 14.738 7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.064 15.608 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.170 14.268 8.032 1.00 0.00 H new ATOM 1093 N LEU A 68 14.894 14.121 10.849 1.00 0.00 N ATOM 1094 CA LEU A 68 14.919 13.588 12.249 1.00 0.00 C ATOM 1095 C LEU A 68 14.881 12.044 12.247 1.00 0.00 C ATOM 1096 O LEU A 68 14.308 11.435 13.130 1.00 0.00 O ATOM 1097 CB LEU A 68 13.695 14.173 13.024 1.00 0.00 C ATOM 1098 CG LEU A 68 14.006 14.238 14.553 1.00 0.00 C ATOM 1099 CD1 LEU A 68 14.223 15.707 14.978 1.00 0.00 C ATOM 1100 CD2 LEU A 68 12.825 13.646 15.353 1.00 0.00 C ATOM 0 H LEU A 68 15.721 14.659 10.590 1.00 0.00 H new ATOM 0 HA LEU A 68 15.843 13.890 12.742 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.461 15.170 12.650 1.00 0.00 H new ATOM 0 HB3 LEU A 68 12.815 13.553 12.850 1.00 0.00 H new ATOM 0 HG LEU A 68 14.908 13.661 14.757 1.00 0.00 H new ATOM 0 HD11 LEU A 68 14.440 15.749 16.045 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.060 16.127 14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 68 13.322 16.283 14.768 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.047 13.694 16.419 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.921 14.219 15.145 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.672 12.607 15.061 1.00 0.00 H new ATOM 1112 N LYS A 69 15.500 11.460 11.247 1.00 0.00 N ATOM 1113 CA LYS A 69 15.534 9.966 11.131 1.00 0.00 C ATOM 1114 C LYS A 69 16.914 9.435 10.653 1.00 0.00 C ATOM 1115 O LYS A 69 17.121 9.258 9.468 1.00 0.00 O ATOM 1116 CB LYS A 69 14.398 9.549 10.145 1.00 0.00 C ATOM 1117 CG LYS A 69 13.482 8.490 10.793 1.00 0.00 C ATOM 1118 CD LYS A 69 12.378 8.096 9.782 1.00 0.00 C ATOM 1119 CE LYS A 69 11.159 7.536 10.531 1.00 0.00 C ATOM 1120 NZ LYS A 69 10.134 7.072 9.553 1.00 0.00 N ATOM 0 H LYS A 69 15.986 11.958 10.501 1.00 0.00 H new ATOM 0 HA LYS A 69 15.377 9.523 12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.811 10.424 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.832 9.151 9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.063 7.613 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.034 8.886 11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.086 8.965 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.761 7.351 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.463 6.709 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.735 8.303 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.311 6.694 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.835 7.871 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.540 6.327 8.952 1.00 0.00 H new ATOM 1134 N PRO A 70 17.831 9.199 11.574 1.00 0.00 N ATOM 1135 CA PRO A 70 19.190 8.680 11.241 1.00 0.00 C ATOM 1136 C PRO A 70 18.997 7.252 10.729 1.00 0.00 C ATOM 1137 O PRO A 70 18.534 6.394 11.457 1.00 0.00 O ATOM 1138 CB PRO A 70 19.998 8.750 12.534 1.00 0.00 C ATOM 1139 CG PRO A 70 19.117 9.564 13.502 1.00 0.00 C ATOM 1140 CD PRO A 70 17.665 9.412 13.034 1.00 0.00 C ATOM 0 HA PRO A 70 19.720 9.244 10.473 1.00 0.00 H new ATOM 0 HB2 PRO A 70 20.203 7.754 12.927 1.00 0.00 H new ATOM 0 HB3 PRO A 70 20.961 9.234 12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 70 19.232 9.201 14.523 1.00 0.00 H new ATOM 0 HG3 PRO A 70 19.413 10.613 13.501 1.00 0.00 H new ATOM 0 HD2 PRO A 70 17.167 8.570 13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 70 17.071 10.300 13.252 1.00 0.00 H new ATOM 1148 N LEU A 71 19.361 7.054 9.491 1.00 0.00 N ATOM 1149 CA LEU A 71 19.215 5.697 8.863 1.00 0.00 C ATOM 1150 C LEU A 71 20.502 5.188 8.208 1.00 0.00 C ATOM 1151 O LEU A 71 21.099 5.882 7.406 1.00 0.00 O ATOM 1152 CB LEU A 71 18.077 5.783 7.812 1.00 0.00 C ATOM 1153 CG LEU A 71 16.759 5.214 8.412 1.00 0.00 C ATOM 1154 CD1 LEU A 71 15.546 5.838 7.688 1.00 0.00 C ATOM 1155 CD2 LEU A 71 16.736 3.680 8.222 1.00 0.00 C ATOM 0 H LEU A 71 19.755 7.771 8.881 1.00 0.00 H new ATOM 0 HA LEU A 71 18.981 4.980 9.650 1.00 0.00 H new ATOM 0 HB2 LEU A 71 17.930 6.819 7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.352 5.222 6.919 1.00 0.00 H new ATOM 0 HG LEU A 71 16.708 5.456 9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.625 5.437 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.563 6.920 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.593 5.597 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.815 3.275 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.786 3.444 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.591 3.237 8.732 1.00 0.00 H new ATOM 1167 N VAL A 72 20.890 3.985 8.567 1.00 0.00 N ATOM 1168 CA VAL A 72 22.134 3.416 7.972 1.00 0.00 C ATOM 1169 C VAL A 72 21.933 2.858 6.583 1.00 0.00 C ATOM 1170 O VAL A 72 21.011 2.127 6.277 1.00 0.00 O ATOM 1171 CB VAL A 72 22.731 2.268 8.820 1.00 0.00 C ATOM 1172 CG1 VAL A 72 23.900 1.578 8.001 1.00 0.00 C ATOM 1173 CG2 VAL A 72 23.354 2.941 10.036 1.00 0.00 C ATOM 0 H VAL A 72 20.406 3.385 9.235 1.00 0.00 H new ATOM 0 HA VAL A 72 22.813 4.268 7.940 1.00 0.00 H new ATOM 0 HB VAL A 72 21.977 1.526 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 72 24.328 0.767 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 72 23.504 1.178 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 72 24.674 2.314 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 72 23.798 2.184 10.683 1.00 0.00 H new ATOM 0 HG22 VAL A 72 24.126 3.638 9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 72 22.585 3.483 10.586 1.00 0.00 H new ATOM 1183 N GLN A 73 22.885 3.283 5.814 1.00 0.00 N ATOM 1184 CA GLN A 73 23.008 2.918 4.385 1.00 0.00 C ATOM 1185 C GLN A 73 24.527 2.834 4.246 1.00 0.00 C ATOM 1186 O GLN A 73 25.227 3.755 4.628 1.00 0.00 O ATOM 1187 CB GLN A 73 22.421 4.036 3.505 1.00 0.00 C ATOM 1188 CG GLN A 73 21.088 3.600 2.860 1.00 0.00 C ATOM 1189 CD GLN A 73 19.987 3.479 3.923 1.00 0.00 C ATOM 1190 OE1 GLN A 73 19.760 4.374 4.713 1.00 0.00 O ATOM 1191 NE2 GLN A 73 19.277 2.385 3.974 1.00 0.00 N ATOM 0 H GLN A 73 23.625 3.905 6.140 1.00 0.00 H new ATOM 0 HA GLN A 73 22.484 2.010 4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 73 22.261 4.930 4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 73 23.135 4.301 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 73 20.791 4.324 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 73 21.219 2.644 2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 73 19.459 1.628 3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 73 18.540 2.287 4.672 1.00 0.00 H new ATOM 1200 N GLU A 74 25.003 1.736 3.717 1.00 0.00 N ATOM 1201 CA GLU A 74 26.480 1.578 3.546 1.00 0.00 C ATOM 1202 C GLU A 74 26.974 2.650 2.575 1.00 0.00 C ATOM 1203 O GLU A 74 26.177 3.221 1.861 1.00 0.00 O ATOM 1204 CB GLU A 74 26.768 0.174 2.991 1.00 0.00 C ATOM 1205 CG GLU A 74 26.848 -0.821 4.169 1.00 0.00 C ATOM 1206 CD GLU A 74 26.349 -2.211 3.734 1.00 0.00 C ATOM 1207 OE1 GLU A 74 27.028 -2.808 2.916 1.00 0.00 O ATOM 1208 OE2 GLU A 74 25.314 -2.602 4.247 1.00 0.00 O ATOM 0 H GLU A 74 24.439 0.948 3.398 1.00 0.00 H new ATOM 0 HA GLU A 74 26.996 1.693 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 74 25.983 -0.126 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 74 27.704 0.174 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 74 27.876 -0.892 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 74 26.247 -0.457 5.002 1.00 0.00 H new ATOM 1215 N CYS A 75 28.255 2.905 2.571 1.00 0.00 N ATOM 1216 CA CYS A 75 28.791 3.944 1.639 1.00 0.00 C ATOM 1217 C CYS A 75 29.178 3.345 0.280 1.00 0.00 C ATOM 1218 O CYS A 75 29.506 2.178 0.176 1.00 0.00 O ATOM 1219 CB CYS A 75 30.007 4.624 2.309 1.00 0.00 C ATOM 1220 SG CYS A 75 29.862 6.418 2.500 1.00 0.00 S ATOM 0 H CYS A 75 28.947 2.447 3.164 1.00 0.00 H new ATOM 0 HA CYS A 75 28.013 4.682 1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 75 30.158 4.179 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 75 30.898 4.406 1.720 1.00 0.00 H new ATOM 1225 N MET A 76 29.114 4.196 -0.715 1.00 0.00 N ATOM 1226 CA MET A 76 29.444 3.825 -2.133 1.00 0.00 C ATOM 1227 C MET A 76 30.966 3.756 -2.399 1.00 0.00 C ATOM 1228 O MET A 76 31.439 4.082 -3.471 1.00 0.00 O ATOM 1229 CB MET A 76 28.760 4.881 -3.043 1.00 0.00 C ATOM 1230 CG MET A 76 28.297 4.253 -4.374 1.00 0.00 C ATOM 1231 SD MET A 76 26.890 5.026 -5.213 1.00 0.00 S ATOM 1232 CE MET A 76 27.757 6.409 -6.000 1.00 0.00 C ATOM 0 H MET A 76 28.836 5.171 -0.600 1.00 0.00 H new ATOM 0 HA MET A 76 29.075 2.821 -2.344 1.00 0.00 H new ATOM 0 HB2 MET A 76 27.904 5.313 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 76 29.455 5.696 -3.245 1.00 0.00 H new ATOM 0 HG2 MET A 76 29.143 4.257 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 76 28.045 3.210 -4.185 1.00 0.00 H new ATOM 0 HE1 MET A 76 27.046 7.007 -6.570 1.00 0.00 H new ATOM 0 HE2 MET A 76 28.222 7.030 -5.234 1.00 0.00 H new ATOM 0 HE3 MET A 76 28.525 6.023 -6.670 1.00 0.00 H new ATOM 1242 N VAL A 77 31.682 3.321 -1.397 1.00 0.00 N ATOM 1243 CA VAL A 77 33.174 3.182 -1.457 1.00 0.00 C ATOM 1244 C VAL A 77 33.591 1.898 -2.199 1.00 0.00 C ATOM 1245 O VAL A 77 32.828 1.370 -2.984 1.00 0.00 O ATOM 1246 CB VAL A 77 33.690 3.204 0.018 1.00 0.00 C ATOM 1247 CG1 VAL A 77 33.501 4.611 0.620 1.00 0.00 C ATOM 1248 CG2 VAL A 77 32.929 2.171 0.885 1.00 0.00 C ATOM 0 H VAL A 77 31.280 3.044 -0.501 1.00 0.00 H new ATOM 0 HA VAL A 77 33.618 4.001 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 77 34.749 2.945 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 77 33.863 4.618 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 77 34.063 5.337 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 77 32.443 4.874 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 77 33.306 2.206 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 77 31.865 2.408 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 77 33.079 1.172 0.476 1.00 0.00 H new ATOM 1258 N HIS A 78 34.797 1.459 -1.926 1.00 0.00 N ATOM 1259 CA HIS A 78 35.378 0.223 -2.546 1.00 0.00 C ATOM 1260 C HIS A 78 34.827 -1.053 -1.912 1.00 0.00 C ATOM 1261 O HIS A 78 35.553 -1.902 -1.439 1.00 0.00 O ATOM 1262 CB HIS A 78 36.925 0.315 -2.401 1.00 0.00 C ATOM 1263 CG HIS A 78 37.491 0.919 -3.690 1.00 0.00 C ATOM 1264 ND1 HIS A 78 37.393 0.380 -4.861 1.00 0.00 N ATOM 1265 CD2 HIS A 78 38.189 2.093 -3.911 1.00 0.00 C ATOM 1266 CE1 HIS A 78 37.970 1.138 -5.739 1.00 0.00 C ATOM 1267 NE2 HIS A 78 38.479 2.214 -5.192 1.00 0.00 N ATOM 0 H HIS A 78 35.427 1.925 -1.273 1.00 0.00 H new ATOM 0 HA HIS A 78 35.097 0.168 -3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 78 37.190 0.933 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 78 37.350 -0.673 -2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 78 38.457 2.806 -3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 78 38.025 0.911 -6.793 1.00 0.00 H new ATOM 0 HE2 HIS A 78 38.984 2.972 -5.651 1.00 0.00 H new ATOM 1275 N ASP A 79 33.526 -1.134 -1.939 1.00 0.00 N ATOM 1276 CA ASP A 79 32.775 -2.286 -1.373 1.00 0.00 C ATOM 1277 C ASP A 79 32.651 -3.482 -2.331 1.00 0.00 C ATOM 1278 O ASP A 79 32.333 -4.575 -1.903 1.00 0.00 O ATOM 1279 CB ASP A 79 31.399 -1.759 -0.988 1.00 0.00 C ATOM 1280 CG ASP A 79 30.520 -1.591 -2.241 1.00 0.00 C ATOM 1281 OD1 ASP A 79 30.684 -0.571 -2.889 1.00 0.00 O ATOM 1282 OD2 ASP A 79 29.737 -2.498 -2.475 1.00 0.00 O ATOM 0 H ASP A 79 32.929 -0.416 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 79 33.322 -2.677 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 79 30.921 -2.447 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 79 31.499 -0.802 -0.475 1.00 0.00 H new ATOM 1287 N CYS A 80 32.905 -3.227 -3.592 1.00 0.00 N ATOM 1288 CA CYS A 80 32.824 -4.283 -4.651 1.00 0.00 C ATOM 1289 C CYS A 80 31.373 -4.798 -4.731 1.00 0.00 C ATOM 1290 O CYS A 80 31.038 -5.871 -4.267 1.00 0.00 O ATOM 1291 CB CYS A 80 33.830 -5.441 -4.304 1.00 0.00 C ATOM 1292 SG CYS A 80 35.227 -5.639 -5.437 1.00 0.00 S ATOM 0 H CYS A 80 33.172 -2.306 -3.940 1.00 0.00 H new ATOM 0 HA CYS A 80 33.099 -3.877 -5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 80 34.222 -5.268 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 80 33.277 -6.380 -4.272 1.00 0.00 H new ATOM 1297 N ALA A 81 30.553 -3.970 -5.331 1.00 0.00 N ATOM 1298 CA ALA A 81 29.100 -4.286 -5.510 1.00 0.00 C ATOM 1299 C ALA A 81 28.915 -5.085 -6.815 1.00 0.00 C ATOM 1300 O ALA A 81 28.161 -4.710 -7.693 1.00 0.00 O ATOM 1301 CB ALA A 81 28.324 -2.955 -5.557 1.00 0.00 C ATOM 0 H ALA A 81 30.836 -3.068 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 81 28.723 -4.891 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 81 27.261 -3.158 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.478 -2.411 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 81 28.683 -2.354 -6.392 1.00 0.00 H new ATOM 1307 N ASP A 82 29.628 -6.179 -6.891 1.00 0.00 N ATOM 1308 CA ASP A 82 29.566 -7.068 -8.094 1.00 0.00 C ATOM 1309 C ASP A 82 28.207 -7.785 -8.215 1.00 0.00 C ATOM 1310 O ASP A 82 27.829 -8.032 -9.348 1.00 0.00 O ATOM 1311 CB ASP A 82 30.703 -8.106 -7.993 1.00 0.00 C ATOM 1312 CG ASP A 82 32.023 -7.391 -7.644 1.00 0.00 C ATOM 1313 OD1 ASP A 82 32.644 -6.904 -8.575 1.00 0.00 O ATOM 1314 OD2 ASP A 82 32.336 -7.371 -6.465 1.00 0.00 O ATOM 1315 OXT ASP A 82 27.624 -8.047 -7.174 1.00 0.00 O ATOM 0 H ASP A 82 30.261 -6.500 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 82 29.683 -6.454 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 82 30.466 -8.847 -7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.806 -8.641 -8.937 1.00 0.00 H new TER 1320 ASP A 82 CONECT 22 1292 CONECT 330 1011 CONECT 813 1220 CONECT 1011 330 CONECT 1220 813 CONECT 1292 22 END