USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 652 hydrogens (13 hets) HEADER PLASMINOGEN ACTIVATOR 16-SEP-91 1PK2 TITLE SOLUTION STRUCTURE OF THE TISSUE-TYPE PLASMINOGEN ACTIVATOR TITLE 2 KRINGLE 2 DOMAIN COMPLEXED TO 6-AMINOHEXANOIC ACID AN TITLE 3 ANTIFIBRINOLYTIC DRUG COMPND MOL_ID: 1; COMPND 2 MOLECULE: TISSUE-TYPE PLASMINOGEN ACTIVATOR; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.21.68; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS PLASMINOGEN ACTIVATOR EXPDTA SOLUTION NMR AUTHOR M.LLINAS,I.-J.L.BYEON REVDAT 3 24-FEB-09 1PK2 1 VERSN REVDAT 2 01-APR-03 1PK2 1 JRNL REVDAT 1 31-JAN-94 1PK2 0 JRNL AUTH I.J.BYEON,M.LLINAS JRNL TITL SOLUTION STRUCTURE OF THE TISSUE-TYPE PLASMINOGEN JRNL TITL 2 ACTIVATOR KRINGLE 2 DOMAIN COMPLEXED TO JRNL TITL 3 6-AMINOHEXANOIC ACID AN ANTIFIBRINOLYTIC DRUG. JRNL REF J.MOL.BIOL. V. 222 1035 1991 JRNL REFN ISSN 0022-2836 JRNL PMID 1762144 JRNL DOI 10.1016/0022-2836(91)90592-T REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH I.-J.L.BYEON,R.F.KELLEY,M.LLINAS REMARK 1 TITL KRINGLE-2 DOMAIN OF THE TISSUE-TYPE PLASMINOGEN REMARK 1 TITL 2 ACTIVATOR H-NMR ASSIGNMENTS AND SECONDARY STRUCTURE REMARK 1 REF EUR.J.BIOCHEM. V. 197 155 1991 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PK2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 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 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 19 CG HIS A 19 ND1 -0.115 REMARK 500 HIS A 56 CG HIS A 56 ND1 -0.114 REMARK 500 TRP A 69 CG TRP A 69 CD2 -0.105 REMARK 500 HIS A 71 CG HIS A 71 ND1 -0.128 REMARK 500 TRP A 80 CG TRP A 80 CD2 -0.117 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 31 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 31 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES REMARK 500 TRP A 31 NE1 - CE2 - CD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 69 CD1 - CG - CD2 ANGL. DEV. = 4.9 DEGREES REMARK 500 TRP A 69 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP A 69 CD1 - NE1 - CE2 ANGL. DEV. = 5.6 DEGREES REMARK 500 TRP A 69 NE1 - CE2 - CZ2 ANGL. DEV. = 8.6 DEGREES REMARK 500 TRP A 69 NE1 - CE2 - CD2 ANGL. DEV. = -6.7 DEGREES REMARK 500 TRP A 80 CG - CD1 - NE1 ANGL. DEV. = -6.8 DEGREES REMARK 500 TRP A 80 NE1 - CE2 - CZ2 ANGL. DEV. = 7.8 DEGREES REMARK 500 TRP A 80 NE1 - CE2 - CD2 ANGL. DEV. = -6.3 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 GLU A 2 -128.74 45.36 REMARK 500 ASP A 6 105.88 -30.75 REMARK 500 ASN A 11 14.52 -142.66 REMARK 500 SER A 24 16.67 -163.22 REMARK 500 ALA A 26 -168.33 162.30 REMARK 500 VAL A 40 -79.67 -20.27 REMARK 500 HIS A 56 -169.87 -166.67 REMARK 500 ASN A 61 60.26 -119.80 REMARK 500 ASP A 65 -167.94 -70.56 REMARK 500 ALA A 66 -100.55 -69.38 REMARK 500 TRP A 69 -165.62 -103.77 REMARK 500 ASN A 75 94.63 -53.06 REMARK 500 ARG A 76 16.87 54.99 REMARK 500 TRP A 80 128.33 -175.01 REMARK 500 PRO A 86 105.90 -57.41 REMARK 500 SER A 89 -78.83 61.93 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 16 0.31 SIDE_CHAIN REMARK 500 ARG A 60 0.30 SIDE_CHAIN REMARK 500 ARG A 76 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACA A 91 DBREF 1PK2 A 1 90 UNP P00750 TPA_HUMAN 209 298 SEQRES 1 A 90 SER GLU GLY ASN SER ASP CYS TYR PHE GLY ASN GLY SER SEQRES 2 A 90 ALA TYR ARG GLY THR HIS SER LEU THR GLU SER GLY ALA SEQRES 3 A 90 SER CYS LEU PRO TRP ASN SER MET ILE LEU ILE GLY LYS SEQRES 4 A 90 VAL TYR THR ALA GLN ASN PRO SER ALA GLN ALA LEU GLY SEQRES 5 A 90 LEU GLY LYS HIS ASN TYR CYS ARG ASN PRO ASP GLY ASP SEQRES 6 A 90 ALA LYS PRO TRP CYS HIS VAL LEU LYS ASN ARG ARG LEU SEQRES 7 A 90 THR TRP GLU TYR CYS ASP VAL PRO SER CYS SER THR HET ACA A 91 22 HETNAM ACA 6-AMINOHEXANOIC ACID HETSYN ACA AMINOCAPROIC ACID FORMUL 2 ACA C6 H13 N O2 HELIX 1 1 SER A 33 ILE A 37 5 5 HELIX 2 2 SER A 47 GLY A 52 1 6 SHEET 1 A 2 TRP A 69 LYS A 74 0 SHEET 2 A 2 ARG A 77 TYR A 82 -1 O ARG A 77 N LYS A 74 SSBOND *** CYS A 7 CYS A 88 1555 1555 2.02 SSBOND *** CYS A 28 CYS A 70 1555 1555 2.01 SSBOND *** CYS A 59 CYS A 83 1555 1555 2.01 SITE *** AC1 6 ASP A 63 TRP A 69 HIS A 71 LEU A 78 SITE *** AC1 6 THR A 79 TRP A 80 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 NoAdj-H: A 91 ACA HO2 : A 91 ACA O2 : A 91 ACA C1 :(short bond) USER MOD Set 1.1: A 11 ASN : amide:sc= -0.545 K(o=-0.16,f=-6.2!) USER MOD Set 1.2: A 13 SER OG : rot 180:sc= 0.385 USER MOD Set 2.1: A 1 SER N :NH3+ 167:sc= 1.14 (180deg=0.0918) USER MOD Set 2.2: A 4 ASN : amide:sc= 0.666 K(o=1.8,f=-13!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 163:sc= 0.527 USER MOD Single : A 19 HIS :FLIP no HE2:sc= -5.66! C(o=-11!,f=-5.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -76:sc= 1.32 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0704! C(o=-0.07!,f=-7.7!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0657 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -2.18! (180deg=-3.36!) USER MOD Single : A 41 TYR OH : rot -145:sc= 0.413 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.415 USER MOD Single : A 44 GLN : amide:sc= 0.62 K(o=0.62,f=-0.15) USER MOD Single : A 45 ASN : amide:sc= -1.14 K(o=-1.1,f=-11!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.176 (180deg=-0.867) USER MOD Single : A 56 HIS : no HD1:sc= -5.02! C(o=-5!,f=-10!) USER MOD Single : A 57 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.5!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -9.87! C(o=-11!,f=-9.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.362 K(o=0.36,f=-3.8!) USER MOD Single : A 79 THR OG1 : rot 48:sc= -1.79! USER MOD Single : A 82 TYR OH : rot 29:sc= 1.17 USER MOD Single : A 87 SER OG : rot 180:sc= -0.126 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.605 2.496 -5.355 1.00 0.00 N ATOM 2 CA SER A 1 22.813 2.750 -6.190 1.00 0.00 C ATOM 3 C SER A 1 22.893 1.708 -7.295 1.00 0.00 C ATOM 4 O SER A 1 22.283 0.663 -7.190 1.00 0.00 O ATOM 5 CB SER A 1 24.080 2.638 -5.322 1.00 0.00 C ATOM 6 OG SER A 1 23.776 1.589 -4.410 1.00 0.00 O ATOM 0 H1 SER A 1 21.662 3.058 -4.481 1.00 0.00 H new ATOM 0 H2 SER A 1 20.753 2.767 -5.886 1.00 0.00 H new ATOM 0 H3 SER A 1 21.556 1.485 -5.114 1.00 0.00 H new ATOM 0 HA SER A 1 22.743 3.750 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 1 24.958 2.403 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 1 24.292 3.572 -4.801 1.00 0.00 H new ATOM 0 HG SER A 1 24.538 1.445 -3.811 1.00 0.00 H new ATOM 14 N GLU A 2 23.644 2.005 -8.334 1.00 0.00 N ATOM 15 CA GLU A 2 23.763 1.023 -9.454 1.00 0.00 C ATOM 16 C GLU A 2 22.378 0.466 -9.825 1.00 0.00 C ATOM 17 O GLU A 2 21.454 1.225 -10.050 1.00 0.00 O ATOM 18 CB GLU A 2 24.677 -0.121 -8.979 1.00 0.00 C ATOM 19 CG GLU A 2 25.199 -0.893 -10.198 1.00 0.00 C ATOM 20 CD GLU A 2 25.211 -2.388 -9.886 1.00 0.00 C ATOM 21 OE1 GLU A 2 24.130 -2.948 -9.894 1.00 0.00 O ATOM 22 OE2 GLU A 2 26.298 -2.883 -9.656 1.00 0.00 O ATOM 0 H GLU A 2 24.170 2.871 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 2 24.180 1.507 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 2 25.511 0.280 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 2 24.127 -0.791 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 2 24.567 -0.696 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.204 -0.556 -10.453 1.00 0.00 H new ATOM 29 N GLY A 3 22.256 -0.842 -9.885 1.00 0.00 N ATOM 30 CA GLY A 3 20.926 -1.442 -10.241 1.00 0.00 C ATOM 31 C GLY A 3 19.833 -0.837 -9.353 1.00 0.00 C ATOM 32 O GLY A 3 18.706 -0.687 -9.764 1.00 0.00 O ATOM 0 H GLY A 3 23.006 -1.510 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.701 -1.254 -11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.957 -2.524 -10.110 1.00 0.00 H new ATOM 36 N ASN A 4 20.213 -0.503 -8.147 1.00 0.00 N ATOM 37 CA ASN A 4 19.248 0.100 -7.183 1.00 0.00 C ATOM 38 C ASN A 4 17.948 -0.699 -7.072 1.00 0.00 C ATOM 39 O ASN A 4 16.893 -0.227 -7.449 1.00 0.00 O ATOM 40 CB ASN A 4 18.913 1.520 -7.662 1.00 0.00 C ATOM 41 CG ASN A 4 18.314 2.305 -6.503 1.00 0.00 C ATOM 42 OD1 ASN A 4 19.022 2.888 -5.709 1.00 0.00 O ATOM 43 ND2 ASN A 4 17.025 2.334 -6.357 1.00 0.00 N ATOM 0 H ASN A 4 21.160 -0.624 -7.787 1.00 0.00 H new ATOM 0 HA ASN A 4 19.716 0.102 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 4 19.812 2.016 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 4 18.210 1.481 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 4 16.611 2.845 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 4 16.425 1.845 -7.022 1.00 0.00 H new ATOM 50 N SER A 5 18.041 -1.881 -6.540 1.00 0.00 N ATOM 51 CA SER A 5 16.818 -2.711 -6.398 1.00 0.00 C ATOM 52 C SER A 5 15.807 -2.032 -5.467 1.00 0.00 C ATOM 53 O SER A 5 16.043 -1.903 -4.275 1.00 0.00 O ATOM 54 CB SER A 5 17.222 -4.064 -5.797 1.00 0.00 C ATOM 55 OG SER A 5 18.258 -4.526 -6.659 1.00 0.00 O ATOM 0 H SER A 5 18.903 -2.306 -6.200 1.00 0.00 H new ATOM 0 HA SER A 5 16.355 -2.841 -7.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.574 -3.956 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.382 -4.758 -5.774 1.00 0.00 H new ATOM 0 HG SER A 5 18.581 -5.396 -6.345 1.00 0.00 H new ATOM 61 N ASP A 6 14.707 -1.604 -6.041 1.00 0.00 N ATOM 62 CA ASP A 6 13.637 -0.922 -5.250 1.00 0.00 C ATOM 63 C ASP A 6 13.580 -1.433 -3.804 1.00 0.00 C ATOM 64 O ASP A 6 13.114 -2.528 -3.547 1.00 0.00 O ATOM 65 CB ASP A 6 12.290 -1.228 -5.934 1.00 0.00 C ATOM 66 CG ASP A 6 12.419 -1.037 -7.447 1.00 0.00 C ATOM 67 OD1 ASP A 6 13.052 -1.886 -8.051 1.00 0.00 O ATOM 68 OD2 ASP A 6 11.873 -0.050 -7.911 1.00 0.00 O ATOM 0 H ASP A 6 14.505 -1.700 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 6 13.848 0.147 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.984 -2.250 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.515 -0.571 -5.540 1.00 0.00 H new ATOM 73 N CYS A 7 14.054 -0.627 -2.882 1.00 0.00 N ATOM 74 CA CYS A 7 14.029 -1.063 -1.459 1.00 0.00 C ATOM 75 C CYS A 7 13.632 0.078 -0.512 1.00 0.00 C ATOM 76 O CYS A 7 13.305 1.172 -0.940 1.00 0.00 O ATOM 77 CB CYS A 7 15.441 -1.566 -1.083 1.00 0.00 C ATOM 78 SG CYS A 7 16.737 -0.333 -0.801 1.00 0.00 S ATOM 0 H CYS A 7 14.450 0.297 -3.054 1.00 0.00 H new ATOM 0 HA CYS A 7 13.284 -1.851 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.351 -2.168 -0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 7 15.781 -2.231 -1.877 1.00 0.00 H new ATOM 83 N TYR A 8 13.675 -0.220 0.765 1.00 0.00 N ATOM 84 CA TYR A 8 13.313 0.795 1.790 1.00 0.00 C ATOM 85 C TYR A 8 14.171 0.628 3.049 1.00 0.00 C ATOM 86 O TYR A 8 14.769 -0.412 3.259 1.00 0.00 O ATOM 87 CB TYR A 8 11.839 0.563 2.179 1.00 0.00 C ATOM 88 CG TYR A 8 11.732 -0.748 2.976 1.00 0.00 C ATOM 89 CD1 TYR A 8 11.693 -1.963 2.324 1.00 0.00 C ATOM 90 CD2 TYR A 8 11.713 -0.733 4.358 1.00 0.00 C ATOM 91 CE1 TYR A 8 11.639 -3.143 3.041 1.00 0.00 C ATOM 92 CE2 TYR A 8 11.659 -1.916 5.072 1.00 0.00 C ATOM 93 CZ TYR A 8 11.624 -3.126 4.420 1.00 0.00 C ATOM 94 OH TYR A 8 11.605 -4.310 5.135 1.00 0.00 O ATOM 0 H TYR A 8 13.948 -1.130 1.138 1.00 0.00 H new ATOM 0 HA TYR A 8 13.475 1.793 1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 8 11.471 1.398 2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.217 0.512 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.705 -1.992 1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 8 11.741 0.210 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.608 -4.087 2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.644 -1.889 6.152 1.00 0.00 H new ATOM 0 HH TYR A 8 11.597 -4.112 6.095 1.00 0.00 H new ATOM 104 N PHE A 9 14.214 1.651 3.859 1.00 0.00 N ATOM 105 CA PHE A 9 15.021 1.568 5.105 1.00 0.00 C ATOM 106 C PHE A 9 14.093 1.552 6.320 1.00 0.00 C ATOM 107 O PHE A 9 13.144 2.315 6.390 1.00 0.00 O ATOM 108 CB PHE A 9 15.965 2.794 5.172 1.00 0.00 C ATOM 109 CG PHE A 9 15.205 4.029 5.673 1.00 0.00 C ATOM 110 CD1 PHE A 9 14.464 4.804 4.797 1.00 0.00 C ATOM 111 CD2 PHE A 9 15.259 4.392 7.009 1.00 0.00 C ATOM 112 CE1 PHE A 9 13.790 5.920 5.249 1.00 0.00 C ATOM 113 CE2 PHE A 9 14.582 5.508 7.457 1.00 0.00 C ATOM 114 CZ PHE A 9 13.849 6.270 6.578 1.00 0.00 C ATOM 0 H PHE A 9 13.727 2.535 3.711 1.00 0.00 H new ATOM 0 HA PHE A 9 15.612 0.652 5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 9 16.802 2.580 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 9 16.384 2.993 4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 9 14.413 4.533 3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.834 3.798 7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 9 13.215 6.519 4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.628 5.783 8.500 1.00 0.00 H new ATOM 0 HZ PHE A 9 13.320 7.143 6.931 1.00 0.00 H new ATOM 124 N GLY A 10 14.367 0.668 7.245 1.00 0.00 N ATOM 125 CA GLY A 10 13.503 0.586 8.466 1.00 0.00 C ATOM 126 C GLY A 10 12.059 0.251 8.073 1.00 0.00 C ATOM 127 O GLY A 10 11.644 -0.888 8.139 1.00 0.00 O ATOM 0 H GLY A 10 15.142 0.006 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.889 -0.176 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.530 1.534 9.004 1.00 0.00 H new ATOM 131 N ASN A 11 11.328 1.253 7.664 1.00 0.00 N ATOM 132 CA ASN A 11 9.915 1.019 7.262 1.00 0.00 C ATOM 133 C ASN A 11 9.524 1.887 6.066 1.00 0.00 C ATOM 134 O ASN A 11 8.355 2.032 5.758 1.00 0.00 O ATOM 135 CB ASN A 11 9.014 1.384 8.451 1.00 0.00 C ATOM 136 CG ASN A 11 9.316 2.816 8.918 1.00 0.00 C ATOM 137 OD1 ASN A 11 10.018 3.573 8.265 1.00 0.00 O ATOM 138 ND2 ASN A 11 8.806 3.227 10.037 1.00 0.00 N ATOM 0 H ASN A 11 11.648 2.219 7.592 1.00 0.00 H new ATOM 0 HA ASN A 11 9.798 -0.027 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.966 1.300 8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.177 0.683 9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.992 4.175 10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.218 2.603 10.590 1.00 0.00 H new ATOM 145 N GLY A 12 10.506 2.449 5.409 1.00 0.00 N ATOM 146 CA GLY A 12 10.188 3.312 4.230 1.00 0.00 C ATOM 147 C GLY A 12 9.091 4.302 4.609 1.00 0.00 C ATOM 148 O GLY A 12 8.118 4.452 3.909 1.00 0.00 O ATOM 0 H GLY A 12 11.497 2.351 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.080 3.847 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.864 2.696 3.391 1.00 0.00 H new ATOM 152 N SER A 13 9.275 4.939 5.726 1.00 0.00 N ATOM 153 CA SER A 13 8.269 5.929 6.197 1.00 0.00 C ATOM 154 C SER A 13 8.284 7.185 5.337 1.00 0.00 C ATOM 155 O SER A 13 7.340 7.460 4.625 1.00 0.00 O ATOM 156 CB SER A 13 8.631 6.311 7.638 1.00 0.00 C ATOM 157 OG SER A 13 10.043 6.492 7.596 1.00 0.00 O ATOM 0 H SER A 13 10.082 4.818 6.338 1.00 0.00 H new ATOM 0 HA SER A 13 7.274 5.488 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.120 7.221 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.349 5.529 8.342 1.00 0.00 H new ATOM 0 HG SER A 13 10.367 6.743 8.486 1.00 0.00 H new ATOM 163 N ALA A 14 9.352 7.929 5.433 1.00 0.00 N ATOM 164 CA ALA A 14 9.460 9.177 4.630 1.00 0.00 C ATOM 165 C ALA A 14 9.745 8.865 3.159 1.00 0.00 C ATOM 166 O ALA A 14 9.147 9.445 2.275 1.00 0.00 O ATOM 167 CB ALA A 14 10.623 10.010 5.197 1.00 0.00 C ATOM 0 H ALA A 14 10.152 7.726 6.032 1.00 0.00 H new ATOM 0 HA ALA A 14 8.517 9.721 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.723 10.932 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.423 10.251 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.548 9.438 5.128 1.00 0.00 H new ATOM 173 N TYR A 15 10.660 7.963 2.925 1.00 0.00 N ATOM 174 CA TYR A 15 10.992 7.605 1.520 1.00 0.00 C ATOM 175 C TYR A 15 9.756 7.100 0.771 1.00 0.00 C ATOM 176 O TYR A 15 8.830 6.575 1.366 1.00 0.00 O ATOM 177 CB TYR A 15 12.058 6.496 1.538 1.00 0.00 C ATOM 178 CG TYR A 15 12.520 6.214 0.102 1.00 0.00 C ATOM 179 CD1 TYR A 15 13.180 7.185 -0.624 1.00 0.00 C ATOM 180 CD2 TYR A 15 12.281 4.989 -0.487 1.00 0.00 C ATOM 181 CE1 TYR A 15 13.593 6.935 -1.916 1.00 0.00 C ATOM 182 CE2 TYR A 15 12.696 4.742 -1.782 1.00 0.00 C ATOM 183 CZ TYR A 15 13.355 5.716 -2.503 1.00 0.00 C ATOM 184 OH TYR A 15 13.778 5.472 -3.789 1.00 0.00 O ATOM 0 H TYR A 15 11.187 7.463 3.641 1.00 0.00 H new ATOM 0 HA TYR A 15 11.362 8.493 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.906 6.800 2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.649 5.590 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 15 13.375 8.149 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.766 4.218 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 15 14.108 7.705 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 15 12.503 3.780 -2.233 1.00 0.00 H new ATOM 0 HH TYR A 15 13.529 4.560 -4.048 1.00 0.00 H new ATOM 194 N ARG A 16 9.772 7.265 -0.526 1.00 0.00 N ATOM 195 CA ARG A 16 8.615 6.807 -1.339 1.00 0.00 C ATOM 196 C ARG A 16 8.921 5.477 -2.020 1.00 0.00 C ATOM 197 O ARG A 16 9.847 5.374 -2.798 1.00 0.00 O ATOM 198 CB ARG A 16 8.330 7.862 -2.429 1.00 0.00 C ATOM 199 CG ARG A 16 8.144 9.242 -1.778 1.00 0.00 C ATOM 200 CD ARG A 16 8.203 10.322 -2.865 1.00 0.00 C ATOM 201 NE ARG A 16 6.871 10.392 -3.549 1.00 0.00 N ATOM 202 CZ ARG A 16 6.814 10.436 -4.834 1.00 0.00 C ATOM 203 NH1 ARG A 16 6.827 9.336 -5.490 1.00 0.00 N ATOM 204 NH2 ARG A 16 6.730 11.578 -5.406 1.00 0.00 N ATOM 0 H ARG A 16 10.533 7.695 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 16 7.754 6.677 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.154 7.894 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.435 7.589 -2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.188 9.286 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.922 9.415 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.452 11.287 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.986 10.089 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 16 6.013 10.405 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.882 8.447 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.783 9.349 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.709 12.429 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.684 11.637 -6.423 1.00 0.00 H new ATOM 218 N GLY A 17 8.142 4.476 -1.706 1.00 0.00 N ATOM 219 CA GLY A 17 8.373 3.137 -2.331 1.00 0.00 C ATOM 220 C GLY A 17 7.818 3.110 -3.761 1.00 0.00 C ATOM 221 O GLY A 17 6.956 3.897 -4.113 1.00 0.00 O ATOM 0 H GLY A 17 7.362 4.524 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.440 2.914 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.893 2.362 -1.733 1.00 0.00 H new ATOM 225 N THR A 18 8.324 2.198 -4.548 1.00 0.00 N ATOM 226 CA THR A 18 7.856 2.082 -5.968 1.00 0.00 C ATOM 227 C THR A 18 6.996 0.835 -6.184 1.00 0.00 C ATOM 228 O THR A 18 6.416 0.660 -7.239 1.00 0.00 O ATOM 229 CB THR A 18 9.095 1.954 -6.861 1.00 0.00 C ATOM 230 OG1 THR A 18 9.944 1.055 -6.180 1.00 0.00 O ATOM 231 CG2 THR A 18 9.890 3.264 -6.901 1.00 0.00 C ATOM 0 H THR A 18 9.041 1.527 -4.273 1.00 0.00 H new ATOM 0 HA THR A 18 7.258 2.961 -6.207 1.00 0.00 H new ATOM 0 HB THR A 18 8.793 1.662 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.621 0.711 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.763 3.141 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.259 4.061 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.214 3.524 -5.893 1.00 0.00 H new ATOM 239 N HIS A 19 6.928 -0.009 -5.188 1.00 0.00 N ATOM 240 CA HIS A 19 6.107 -1.250 -5.335 1.00 0.00 C ATOM 241 C HIS A 19 4.601 -0.989 -5.126 1.00 0.00 C ATOM 242 O HIS A 19 4.203 -0.122 -4.362 1.00 0.00 O ATOM 243 CB HIS A 19 6.595 -2.271 -4.301 1.00 0.00 C ATOM 244 CG HIS A 19 6.208 -3.672 -4.768 1.00 0.00 C ATOM 245 ND1 HIS A 19 5.587 -4.687 -4.077 1.00 0.00 N flip ATOM 246 CD2 HIS A 19 6.389 -4.119 -5.926 1.00 0.00 C flip ATOM 247 CE1 HIS A 19 5.411 -5.749 -4.899 1.00 0.00 C flip ATOM 248 NE2 HIS A 19 5.942 -5.305 -6.034 1.00 0.00 N flip ATOM 0 H HIS A 19 7.398 0.103 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 19 6.229 -1.623 -6.352 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.676 -2.199 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.152 -2.062 -3.327 1.00 0.00 H new ATOM 0 HD1 HIS A 19 5.303 -4.646 -3.098 1.00 0.00 H new ATOM 0 HD2 HIS A 19 6.862 -3.569 -6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.958 -6.706 -4.688 1.00 0.00 H new ATOM 256 N SER A 20 3.791 -1.773 -5.807 1.00 0.00 N ATOM 257 CA SER A 20 2.304 -1.611 -5.687 1.00 0.00 C ATOM 258 C SER A 20 1.566 -2.977 -5.590 1.00 0.00 C ATOM 259 O SER A 20 0.550 -3.182 -6.236 1.00 0.00 O ATOM 260 CB SER A 20 1.811 -0.869 -6.949 1.00 0.00 C ATOM 261 OG SER A 20 2.507 -1.493 -8.022 1.00 0.00 O ATOM 0 H SER A 20 4.096 -2.515 -6.438 1.00 0.00 H new ATOM 0 HA SER A 20 2.088 -1.057 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.732 -0.962 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.035 0.196 -6.896 1.00 0.00 H new ATOM 0 HG SER A 20 2.245 -1.075 -8.869 1.00 0.00 H new ATOM 267 N LEU A 21 2.098 -3.887 -4.794 1.00 0.00 N ATOM 268 CA LEU A 21 1.433 -5.236 -4.648 1.00 0.00 C ATOM 269 C LEU A 21 1.870 -5.929 -3.356 1.00 0.00 C ATOM 270 O LEU A 21 2.966 -5.718 -2.876 1.00 0.00 O ATOM 271 CB LEU A 21 1.851 -6.128 -5.815 1.00 0.00 C ATOM 272 CG LEU A 21 1.111 -7.475 -5.693 1.00 0.00 C ATOM 273 CD1 LEU A 21 0.270 -7.703 -6.955 1.00 0.00 C ATOM 274 CD2 LEU A 21 2.142 -8.602 -5.570 1.00 0.00 C ATOM 0 H LEU A 21 2.949 -3.759 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 21 0.354 -5.080 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.610 -5.648 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.929 -6.286 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 21 0.465 -7.464 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.256 -8.654 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.455 -6.896 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.922 -7.721 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.627 -9.559 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.778 -8.611 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.756 -8.439 -4.684 1.00 0.00 H new ATOM 286 N THR A 22 1.020 -6.769 -2.830 1.00 0.00 N ATOM 287 CA THR A 22 1.388 -7.468 -1.581 1.00 0.00 C ATOM 288 C THR A 22 2.220 -8.715 -1.838 1.00 0.00 C ATOM 289 O THR A 22 2.078 -9.368 -2.851 1.00 0.00 O ATOM 290 CB THR A 22 0.143 -7.834 -0.824 1.00 0.00 C ATOM 291 OG1 THR A 22 -0.570 -8.743 -1.648 1.00 0.00 O ATOM 292 CG2 THR A 22 -0.774 -6.615 -0.686 1.00 0.00 C ATOM 0 H THR A 22 0.101 -6.995 -3.210 1.00 0.00 H new ATOM 0 HA THR A 22 2.001 -6.786 -0.992 1.00 0.00 H new ATOM 0 HB THR A 22 0.412 -8.227 0.156 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.010 -8.252 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.672 -6.896 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.250 -5.825 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.053 -6.256 -1.676 1.00 0.00 H new ATOM 300 N GLU A 23 3.077 -9.012 -0.888 1.00 0.00 N ATOM 301 CA GLU A 23 3.973 -10.213 -0.999 1.00 0.00 C ATOM 302 C GLU A 23 3.300 -11.409 -1.681 1.00 0.00 C ATOM 303 O GLU A 23 3.886 -12.033 -2.542 1.00 0.00 O ATOM 304 CB GLU A 23 4.415 -10.631 0.422 1.00 0.00 C ATOM 305 CG GLU A 23 3.204 -10.654 1.374 1.00 0.00 C ATOM 306 CD GLU A 23 3.636 -11.241 2.726 1.00 0.00 C ATOM 307 OE1 GLU A 23 4.293 -10.505 3.455 1.00 0.00 O ATOM 308 OE2 GLU A 23 3.294 -12.393 2.951 1.00 0.00 O ATOM 0 H GLU A 23 3.196 -8.470 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 23 4.822 -9.928 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.880 -11.616 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.167 -9.936 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.814 -9.645 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.400 -11.252 0.945 1.00 0.00 H new ATOM 315 N SER A 24 2.098 -11.717 -1.289 1.00 0.00 N ATOM 316 CA SER A 24 1.412 -12.876 -1.931 1.00 0.00 C ATOM 317 C SER A 24 -0.093 -12.863 -1.678 1.00 0.00 C ATOM 318 O SER A 24 -0.760 -13.861 -1.880 1.00 0.00 O ATOM 319 CB SER A 24 2.001 -14.170 -1.342 1.00 0.00 C ATOM 320 OG SER A 24 1.620 -14.137 0.029 1.00 0.00 O ATOM 0 H SER A 24 1.567 -11.230 -0.567 1.00 0.00 H new ATOM 0 HA SER A 24 1.570 -12.815 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.604 -15.052 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.085 -14.200 -1.453 1.00 0.00 H new ATOM 0 HG SER A 24 1.959 -14.937 0.482 1.00 0.00 H new ATOM 326 N GLY A 25 -0.607 -11.736 -1.265 1.00 0.00 N ATOM 327 CA GLY A 25 -2.076 -11.658 -0.999 1.00 0.00 C ATOM 328 C GLY A 25 -2.832 -11.345 -2.292 1.00 0.00 C ATOM 329 O GLY A 25 -3.777 -12.022 -2.637 1.00 0.00 O ATOM 0 H GLY A 25 -0.084 -10.876 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.428 -12.602 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.278 -10.887 -0.256 1.00 0.00 H new ATOM 333 N ALA A 26 -2.373 -10.327 -2.978 1.00 0.00 N ATOM 334 CA ALA A 26 -3.016 -9.908 -4.263 1.00 0.00 C ATOM 335 C ALA A 26 -2.592 -8.482 -4.621 1.00 0.00 C ATOM 336 O ALA A 26 -1.673 -7.937 -4.027 1.00 0.00 O ATOM 337 CB ALA A 26 -4.548 -9.936 -4.084 1.00 0.00 C ATOM 0 H ALA A 26 -1.571 -9.762 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.709 -10.588 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.029 -9.632 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.866 -10.946 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.834 -9.250 -3.287 1.00 0.00 H new ATOM 343 N SER A 27 -3.257 -7.907 -5.585 1.00 0.00 N ATOM 344 CA SER A 27 -2.905 -6.519 -5.990 1.00 0.00 C ATOM 345 C SER A 27 -3.423 -5.515 -4.967 1.00 0.00 C ATOM 346 O SER A 27 -4.196 -5.851 -4.088 1.00 0.00 O ATOM 347 CB SER A 27 -3.541 -6.228 -7.364 1.00 0.00 C ATOM 348 OG SER A 27 -4.943 -6.231 -7.115 1.00 0.00 O ATOM 0 H SER A 27 -4.023 -8.335 -6.106 1.00 0.00 H new ATOM 0 HA SER A 27 -1.821 -6.426 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.210 -5.268 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.266 -6.986 -8.097 1.00 0.00 H new ATOM 0 HG SER A 27 -5.424 -6.049 -7.949 1.00 0.00 H new ATOM 354 N CYS A 28 -2.990 -4.300 -5.117 1.00 0.00 N ATOM 355 CA CYS A 28 -3.415 -3.228 -4.182 1.00 0.00 C ATOM 356 C CYS A 28 -4.628 -2.448 -4.672 1.00 0.00 C ATOM 357 O CYS A 28 -4.613 -1.905 -5.758 1.00 0.00 O ATOM 358 CB CYS A 28 -2.237 -2.270 -4.071 1.00 0.00 C ATOM 359 SG CYS A 28 -0.624 -3.026 -3.775 1.00 0.00 S ATOM 0 H CYS A 28 -2.353 -4.000 -5.855 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.700 -3.681 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.180 -1.688 -4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.441 -1.568 -3.262 1.00 0.00 H new ATOM 364 N LEU A 29 -5.666 -2.405 -3.856 1.00 0.00 N ATOM 365 CA LEU A 29 -6.876 -1.659 -4.269 1.00 0.00 C ATOM 366 C LEU A 29 -6.487 -0.207 -4.569 1.00 0.00 C ATOM 367 O LEU A 29 -5.761 0.412 -3.807 1.00 0.00 O ATOM 368 CB LEU A 29 -7.890 -1.642 -3.090 1.00 0.00 C ATOM 369 CG LEU A 29 -8.317 -3.072 -2.646 1.00 0.00 C ATOM 370 CD1 LEU A 29 -9.820 -3.235 -2.889 1.00 0.00 C ATOM 371 CD2 LEU A 29 -7.577 -4.167 -3.438 1.00 0.00 C ATOM 0 H LEU A 29 -5.714 -2.851 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.314 -2.133 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.447 -1.120 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.775 -1.078 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.067 -3.184 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.132 -4.233 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.365 -2.490 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.034 -3.098 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.905 -5.148 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.798 -4.060 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.503 -4.068 -3.279 1.00 0.00 H new ATOM 383 N PRO A 30 -6.972 0.321 -5.673 1.00 0.00 N ATOM 384 CA PRO A 30 -6.658 1.695 -6.041 1.00 0.00 C ATOM 385 C PRO A 30 -6.995 2.640 -4.888 1.00 0.00 C ATOM 386 O PRO A 30 -8.125 2.685 -4.424 1.00 0.00 O ATOM 387 CB PRO A 30 -7.548 1.987 -7.271 1.00 0.00 C ATOM 388 CG PRO A 30 -8.245 0.645 -7.662 1.00 0.00 C ATOM 389 CD PRO A 30 -7.862 -0.397 -6.596 1.00 0.00 C ATOM 0 HA PRO A 30 -5.600 1.837 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.289 2.752 -7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.949 2.365 -8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.327 0.772 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.923 0.319 -8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.743 -0.778 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.360 -1.255 -7.043 1.00 0.00 H new ATOM 397 N TRP A 31 -6.012 3.376 -4.438 1.00 0.00 N ATOM 398 CA TRP A 31 -6.269 4.314 -3.315 1.00 0.00 C ATOM 399 C TRP A 31 -7.476 5.203 -3.618 1.00 0.00 C ATOM 400 O TRP A 31 -8.358 5.358 -2.802 1.00 0.00 O ATOM 401 CB TRP A 31 -5.037 5.217 -3.125 1.00 0.00 C ATOM 402 CG TRP A 31 -3.783 4.388 -2.790 1.00 0.00 C ATOM 403 CD1 TRP A 31 -2.643 4.484 -3.467 1.00 0.00 C ATOM 404 CD2 TRP A 31 -3.640 3.581 -1.741 1.00 0.00 C ATOM 405 NE1 TRP A 31 -1.791 3.703 -2.780 1.00 0.00 N ATOM 406 CE2 TRP A 31 -2.338 3.102 -1.678 1.00 0.00 C ATOM 407 CE3 TRP A 31 -4.547 3.198 -0.761 1.00 0.00 C ATOM 408 CZ2 TRP A 31 -1.946 2.266 -0.657 1.00 0.00 C ATOM 409 CZ3 TRP A 31 -4.151 2.354 0.262 1.00 0.00 C ATOM 410 CH2 TRP A 31 -2.854 1.889 0.314 1.00 0.00 C ATOM 0 H TRP A 31 -5.057 3.367 -4.796 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.469 3.733 -2.415 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.862 5.794 -4.033 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.227 5.932 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -2.447 5.057 -4.361 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.818 3.569 -3.057 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.564 3.560 -0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.929 1.905 -0.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.860 2.059 1.022 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.548 1.230 1.113 1.00 0.00 H new ATOM 421 N ASN A 32 -7.492 5.770 -4.791 1.00 0.00 N ATOM 422 CA ASN A 32 -8.632 6.654 -5.168 1.00 0.00 C ATOM 423 C ASN A 32 -9.835 5.832 -5.637 1.00 0.00 C ATOM 424 O ASN A 32 -10.791 6.370 -6.164 1.00 0.00 O ATOM 425 CB ASN A 32 -8.176 7.581 -6.319 1.00 0.00 C ATOM 426 CG ASN A 32 -7.630 6.744 -7.475 1.00 0.00 C ATOM 427 OD1 ASN A 32 -7.196 5.629 -7.300 1.00 0.00 O ATOM 428 ND2 ASN A 32 -7.631 7.247 -8.669 1.00 0.00 N ATOM 0 H ASN A 32 -6.770 5.661 -5.503 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.931 7.234 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.014 8.188 -6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.409 8.268 -5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.268 6.703 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.995 8.187 -8.826 1.00 0.00 H new ATOM 435 N SER A 33 -9.767 4.544 -5.420 1.00 0.00 N ATOM 436 CA SER A 33 -10.890 3.655 -5.842 1.00 0.00 C ATOM 437 C SER A 33 -12.203 4.072 -5.194 1.00 0.00 C ATOM 438 O SER A 33 -12.221 4.621 -4.103 1.00 0.00 O ATOM 439 CB SER A 33 -10.571 2.218 -5.397 1.00 0.00 C ATOM 440 OG SER A 33 -11.672 1.451 -5.874 1.00 0.00 O ATOM 0 H SER A 33 -8.984 4.070 -4.970 1.00 0.00 H new ATOM 0 HA SER A 33 -10.995 3.726 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.629 1.870 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.477 2.148 -4.313 1.00 0.00 H new ATOM 0 HG SER A 33 -11.545 0.510 -5.631 1.00 0.00 H new ATOM 446 N MET A 34 -13.278 3.789 -5.872 1.00 0.00 N ATOM 447 CA MET A 34 -14.606 4.154 -5.326 1.00 0.00 C ATOM 448 C MET A 34 -14.987 3.231 -4.168 1.00 0.00 C ATOM 449 O MET A 34 -15.618 3.649 -3.223 1.00 0.00 O ATOM 450 CB MET A 34 -15.647 4.000 -6.453 1.00 0.00 C ATOM 451 CG MET A 34 -15.333 4.993 -7.582 1.00 0.00 C ATOM 452 SD MET A 34 -15.440 4.376 -9.283 1.00 0.00 S ATOM 453 CE MET A 34 -16.651 5.577 -9.900 1.00 0.00 C ATOM 0 H MET A 34 -13.292 3.322 -6.779 1.00 0.00 H new ATOM 0 HA MET A 34 -14.576 5.179 -4.957 1.00 0.00 H new ATOM 0 HB2 MET A 34 -15.634 2.980 -6.838 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.649 4.181 -6.064 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.013 5.839 -7.486 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.325 5.376 -7.424 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.863 5.374 -10.950 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.571 5.496 -9.322 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.248 6.585 -9.800 1.00 0.00 H new ATOM 463 N ILE A 35 -14.574 1.995 -4.254 1.00 0.00 N ATOM 464 CA ILE A 35 -14.908 1.036 -3.164 1.00 0.00 C ATOM 465 C ILE A 35 -14.319 1.491 -1.822 1.00 0.00 C ATOM 466 O ILE A 35 -14.723 1.024 -0.774 1.00 0.00 O ATOM 467 CB ILE A 35 -14.339 -0.341 -3.540 1.00 0.00 C ATOM 468 CG1 ILE A 35 -14.921 -0.790 -4.883 1.00 0.00 C ATOM 469 CG2 ILE A 35 -14.762 -1.361 -2.465 1.00 0.00 C ATOM 470 CD1 ILE A 35 -13.956 -1.773 -5.557 1.00 0.00 C ATOM 0 H ILE A 35 -14.025 1.612 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.991 0.987 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.253 -0.278 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.891 -1.263 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.085 0.074 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.365 -2.344 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.371 -1.051 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.850 -1.410 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.371 -2.092 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.996 -1.284 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.814 -2.642 -4.915 1.00 0.00 H new ATOM 482 N LEU A 36 -13.382 2.402 -1.874 1.00 0.00 N ATOM 483 CA LEU A 36 -12.767 2.890 -0.607 1.00 0.00 C ATOM 484 C LEU A 36 -13.382 4.233 -0.171 1.00 0.00 C ATOM 485 O LEU A 36 -12.780 4.976 0.589 1.00 0.00 O ATOM 486 CB LEU A 36 -11.256 3.076 -0.845 1.00 0.00 C ATOM 487 CG LEU A 36 -10.603 1.702 -1.042 1.00 0.00 C ATOM 488 CD1 LEU A 36 -9.140 1.893 -1.457 1.00 0.00 C ATOM 489 CD2 LEU A 36 -10.656 0.918 0.277 1.00 0.00 C ATOM 0 H LEU A 36 -13.020 2.824 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.952 2.162 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.088 3.701 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.803 3.589 0.003 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.137 1.151 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.672 0.919 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.097 2.455 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.610 2.441 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.192 -0.059 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.119 1.469 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.695 0.787 0.581 1.00 0.00 H new ATOM 501 N ILE A 37 -14.570 4.519 -0.662 1.00 0.00 N ATOM 502 CA ILE A 37 -15.238 5.806 -0.285 1.00 0.00 C ATOM 503 C ILE A 37 -15.172 6.024 1.228 1.00 0.00 C ATOM 504 O ILE A 37 -15.809 5.317 1.991 1.00 0.00 O ATOM 505 CB ILE A 37 -16.715 5.738 -0.724 1.00 0.00 C ATOM 506 CG1 ILE A 37 -16.832 6.097 -2.202 1.00 0.00 C ATOM 507 CG2 ILE A 37 -17.539 6.766 0.086 1.00 0.00 C ATOM 508 CD1 ILE A 37 -18.046 5.378 -2.801 1.00 0.00 C ATOM 0 H ILE A 37 -15.098 3.923 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.728 6.634 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 37 -17.087 4.728 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -16.939 7.175 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -15.925 5.807 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -18.583 6.720 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.464 6.536 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.151 7.768 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -18.134 5.631 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -17.919 4.301 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -18.949 5.690 -2.277 1.00 0.00 H new ATOM 520 N GLY A 38 -14.396 7.001 1.632 1.00 0.00 N ATOM 521 CA GLY A 38 -14.268 7.287 3.096 1.00 0.00 C ATOM 522 C GLY A 38 -13.897 6.011 3.846 1.00 0.00 C ATOM 523 O GLY A 38 -14.535 5.653 4.817 1.00 0.00 O ATOM 0 H GLY A 38 -13.851 7.607 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.507 8.050 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.207 7.685 3.481 1.00 0.00 H new ATOM 527 N LYS A 39 -12.867 5.348 3.379 1.00 0.00 N ATOM 528 CA LYS A 39 -12.447 4.093 4.058 1.00 0.00 C ATOM 529 C LYS A 39 -11.022 4.179 4.631 1.00 0.00 C ATOM 530 O LYS A 39 -10.292 5.124 4.378 1.00 0.00 O ATOM 531 CB LYS A 39 -12.510 2.955 3.025 1.00 0.00 C ATOM 532 CG LYS A 39 -12.291 1.618 3.740 1.00 0.00 C ATOM 533 CD LYS A 39 -13.029 0.504 2.995 1.00 0.00 C ATOM 534 CE LYS A 39 -12.603 -0.840 3.582 1.00 0.00 C ATOM 535 NZ LYS A 39 -13.248 -1.956 2.839 1.00 0.00 N ATOM 0 H LYS A 39 -12.309 5.620 2.569 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.118 3.915 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.476 2.958 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.749 3.101 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.226 1.392 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.651 1.681 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.107 0.634 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.797 0.543 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.519 -0.939 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.879 -0.888 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.329 -2.786 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.196 -1.663 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.671 -2.200 2.009 1.00 0.00 H new ATOM 549 N VAL A 40 -10.681 3.160 5.400 1.00 0.00 N ATOM 550 CA VAL A 40 -9.330 3.066 6.052 1.00 0.00 C ATOM 551 C VAL A 40 -8.258 3.942 5.382 1.00 0.00 C ATOM 552 O VAL A 40 -7.946 5.016 5.867 1.00 0.00 O ATOM 553 CB VAL A 40 -8.874 1.584 5.994 1.00 0.00 C ATOM 554 CG1 VAL A 40 -7.690 1.382 6.945 1.00 0.00 C ATOM 555 CG2 VAL A 40 -10.025 0.673 6.442 1.00 0.00 C ATOM 0 H VAL A 40 -11.299 2.375 5.605 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.434 3.430 7.074 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.583 1.337 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.366 0.342 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.867 2.029 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.993 1.631 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.703 -0.367 6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.311 0.924 7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.880 0.815 5.781 1.00 0.00 H new ATOM 565 N TYR A 41 -7.712 3.475 4.289 1.00 0.00 N ATOM 566 CA TYR A 41 -6.667 4.281 3.603 1.00 0.00 C ATOM 567 C TYR A 41 -6.963 4.437 2.123 1.00 0.00 C ATOM 568 O TYR A 41 -7.144 3.465 1.415 1.00 0.00 O ATOM 569 CB TYR A 41 -5.322 3.562 3.789 1.00 0.00 C ATOM 570 CG TYR A 41 -4.985 3.564 5.277 1.00 0.00 C ATOM 571 CD1 TYR A 41 -4.803 4.756 5.945 1.00 0.00 C ATOM 572 CD2 TYR A 41 -4.902 2.385 5.979 1.00 0.00 C ATOM 573 CE1 TYR A 41 -4.546 4.770 7.299 1.00 0.00 C ATOM 574 CE2 TYR A 41 -4.645 2.396 7.335 1.00 0.00 C ATOM 575 CZ TYR A 41 -4.464 3.588 8.006 1.00 0.00 C ATOM 576 OH TYR A 41 -4.196 3.595 9.355 1.00 0.00 O ATOM 0 H TYR A 41 -7.942 2.584 3.849 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.642 5.281 4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.381 2.540 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.540 4.065 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.862 5.688 5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.039 1.444 5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.408 5.712 7.810 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.585 1.463 7.876 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.650 2.814 9.584 1.00 0.00 H new ATOM 586 N THR A 42 -7.008 5.669 1.678 1.00 0.00 N ATOM 587 CA THR A 42 -7.297 5.908 0.229 1.00 0.00 C ATOM 588 C THR A 42 -6.865 7.302 -0.216 1.00 0.00 C ATOM 589 O THR A 42 -6.496 8.141 0.591 1.00 0.00 O ATOM 590 CB THR A 42 -8.822 5.753 -0.024 1.00 0.00 C ATOM 591 OG1 THR A 42 -9.296 7.039 -0.382 1.00 0.00 O ATOM 592 CG2 THR A 42 -9.587 5.421 1.267 1.00 0.00 C ATOM 0 H THR A 42 -6.860 6.505 2.243 1.00 0.00 H new ATOM 0 HA THR A 42 -6.731 5.175 -0.346 1.00 0.00 H new ATOM 0 HB THR A 42 -8.970 4.969 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.260 6.996 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.649 5.321 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.213 4.484 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.442 6.222 1.992 1.00 0.00 H new ATOM 600 N ALA A 43 -6.930 7.517 -1.500 1.00 0.00 N ATOM 601 CA ALA A 43 -6.536 8.837 -2.049 1.00 0.00 C ATOM 602 C ALA A 43 -7.745 9.775 -2.045 1.00 0.00 C ATOM 603 O ALA A 43 -7.612 10.973 -2.188 1.00 0.00 O ATOM 604 CB ALA A 43 -6.038 8.636 -3.488 1.00 0.00 C ATOM 0 H ALA A 43 -7.240 6.833 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.746 9.277 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.743 9.597 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.181 7.963 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.836 8.205 -4.092 1.00 0.00 H new ATOM 610 N GLN A 44 -8.910 9.193 -1.877 1.00 0.00 N ATOM 611 CA GLN A 44 -10.157 10.005 -1.852 1.00 0.00 C ATOM 612 C GLN A 44 -10.526 10.294 -0.403 1.00 0.00 C ATOM 613 O GLN A 44 -11.533 10.909 -0.110 1.00 0.00 O ATOM 614 CB GLN A 44 -11.288 9.193 -2.507 1.00 0.00 C ATOM 615 CG GLN A 44 -10.973 8.992 -3.997 1.00 0.00 C ATOM 616 CD GLN A 44 -12.175 9.420 -4.842 1.00 0.00 C ATOM 617 OE1 GLN A 44 -12.686 10.514 -4.718 1.00 0.00 O ATOM 618 NE2 GLN A 44 -12.650 8.589 -5.714 1.00 0.00 N ATOM 0 H GLN A 44 -9.045 8.189 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.009 10.941 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.391 8.227 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.239 9.714 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.095 9.575 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.735 7.946 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.226 7.668 -5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.448 8.856 -6.291 1.00 0.00 H new ATOM 627 N ASN A 45 -9.683 9.823 0.476 1.00 0.00 N ATOM 628 CA ASN A 45 -9.908 10.028 1.922 1.00 0.00 C ATOM 629 C ASN A 45 -9.525 11.461 2.299 1.00 0.00 C ATOM 630 O ASN A 45 -8.535 11.976 1.826 1.00 0.00 O ATOM 631 CB ASN A 45 -8.974 9.047 2.668 1.00 0.00 C ATOM 632 CG ASN A 45 -9.325 9.000 4.154 1.00 0.00 C ATOM 633 OD1 ASN A 45 -9.203 9.975 4.862 1.00 0.00 O ATOM 634 ND2 ASN A 45 -9.757 7.887 4.669 1.00 0.00 N ATOM 0 H ASN A 45 -8.839 9.299 0.243 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.953 9.859 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.063 8.050 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.937 9.357 2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.990 7.841 5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.863 7.060 4.081 1.00 0.00 H new ATOM 641 N PRO A 46 -10.317 12.083 3.145 1.00 0.00 N ATOM 642 CA PRO A 46 -10.040 13.457 3.573 1.00 0.00 C ATOM 643 C PRO A 46 -8.625 13.581 4.154 1.00 0.00 C ATOM 644 O PRO A 46 -8.067 14.659 4.219 1.00 0.00 O ATOM 645 CB PRO A 46 -11.097 13.748 4.663 1.00 0.00 C ATOM 646 CG PRO A 46 -12.043 12.509 4.738 1.00 0.00 C ATOM 647 CD PRO A 46 -11.519 11.469 3.732 1.00 0.00 C ATOM 0 HA PRO A 46 -10.092 14.159 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.617 13.923 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.662 14.648 4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.055 12.096 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.068 12.793 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.281 10.527 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.264 11.249 2.967 1.00 0.00 H new ATOM 655 N SER A 47 -8.077 12.463 4.559 1.00 0.00 N ATOM 656 CA SER A 47 -6.705 12.479 5.138 1.00 0.00 C ATOM 657 C SER A 47 -5.680 11.944 4.142 1.00 0.00 C ATOM 658 O SER A 47 -4.575 11.611 4.521 1.00 0.00 O ATOM 659 CB SER A 47 -6.697 11.570 6.377 1.00 0.00 C ATOM 660 OG SER A 47 -7.561 12.225 7.292 1.00 0.00 O ATOM 0 H SER A 47 -8.520 11.545 4.513 1.00 0.00 H new ATOM 0 HA SER A 47 -6.442 13.506 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.054 10.568 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.692 11.461 6.785 1.00 0.00 H new ATOM 0 HG SER A 47 -7.615 11.705 8.121 1.00 0.00 H new ATOM 666 N ALA A 48 -6.066 11.880 2.884 1.00 0.00 N ATOM 667 CA ALA A 48 -5.126 11.367 1.834 1.00 0.00 C ATOM 668 C ALA A 48 -3.684 11.784 2.131 1.00 0.00 C ATOM 669 O ALA A 48 -2.763 10.990 1.990 1.00 0.00 O ATOM 670 CB ALA A 48 -5.552 11.950 0.476 1.00 0.00 C ATOM 0 H ALA A 48 -6.986 12.160 2.543 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.168 10.278 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.880 11.588 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.571 11.637 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.507 13.038 0.517 1.00 0.00 H new ATOM 676 N GLN A 49 -3.515 13.022 2.541 1.00 0.00 N ATOM 677 CA GLN A 49 -2.146 13.508 2.856 1.00 0.00 C ATOM 678 C GLN A 49 -1.512 12.623 3.934 1.00 0.00 C ATOM 679 O GLN A 49 -0.483 12.013 3.713 1.00 0.00 O ATOM 680 CB GLN A 49 -2.249 14.956 3.386 1.00 0.00 C ATOM 681 CG GLN A 49 -2.706 15.887 2.250 1.00 0.00 C ATOM 682 CD GLN A 49 -2.390 17.340 2.617 1.00 0.00 C ATOM 683 OE1 GLN A 49 -3.218 18.057 3.134 1.00 0.00 O ATOM 684 NE2 GLN A 49 -1.208 17.811 2.368 1.00 0.00 N ATOM 0 H GLN A 49 -4.262 13.705 2.668 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.529 13.473 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.956 15.002 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.283 15.283 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.202 15.618 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.776 15.769 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.503 17.216 1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.983 18.777 2.607 1.00 0.00 H new ATOM 693 N ALA A 50 -2.151 12.559 5.076 1.00 0.00 N ATOM 694 CA ALA A 50 -1.607 11.721 6.180 1.00 0.00 C ATOM 695 C ALA A 50 -1.537 10.257 5.744 1.00 0.00 C ATOM 696 O ALA A 50 -0.648 9.523 6.133 1.00 0.00 O ATOM 697 CB ALA A 50 -2.552 11.847 7.385 1.00 0.00 C ATOM 0 H ALA A 50 -3.020 13.049 5.287 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.603 12.057 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.174 11.241 8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.606 12.890 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.547 11.500 7.105 1.00 0.00 H new ATOM 703 N LEU A 51 -2.489 9.865 4.945 1.00 0.00 N ATOM 704 CA LEU A 51 -2.514 8.467 4.460 1.00 0.00 C ATOM 705 C LEU A 51 -1.221 8.169 3.706 1.00 0.00 C ATOM 706 O LEU A 51 -0.712 7.065 3.743 1.00 0.00 O ATOM 707 CB LEU A 51 -3.706 8.316 3.508 1.00 0.00 C ATOM 708 CG LEU A 51 -5.024 8.621 4.258 1.00 0.00 C ATOM 709 CD1 LEU A 51 -6.087 7.648 3.786 1.00 0.00 C ATOM 710 CD2 LEU A 51 -4.848 8.454 5.779 1.00 0.00 C ATOM 0 H LEU A 51 -3.249 10.456 4.609 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.606 7.775 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.594 8.994 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.734 7.304 3.104 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.313 9.651 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.023 7.851 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.236 7.765 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.767 6.628 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.790 8.675 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.550 7.429 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.079 9.140 6.134 1.00 0.00 H new ATOM 722 N GLY A 52 -0.709 9.184 3.046 1.00 0.00 N ATOM 723 CA GLY A 52 0.560 9.011 2.266 1.00 0.00 C ATOM 724 C GLY A 52 0.266 8.389 0.901 1.00 0.00 C ATOM 725 O GLY A 52 1.154 7.935 0.218 1.00 0.00 O ATOM 0 H GLY A 52 -1.113 10.120 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.048 9.977 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.252 8.377 2.820 1.00 0.00 H new ATOM 729 N LEU A 53 -0.974 8.396 0.535 1.00 0.00 N ATOM 730 CA LEU A 53 -1.372 7.814 -0.774 1.00 0.00 C ATOM 731 C LEU A 53 -1.396 8.874 -1.878 1.00 0.00 C ATOM 732 O LEU A 53 -0.827 9.935 -1.745 1.00 0.00 O ATOM 733 CB LEU A 53 -2.789 7.231 -0.594 1.00 0.00 C ATOM 734 CG LEU A 53 -2.724 5.893 0.167 1.00 0.00 C ATOM 735 CD1 LEU A 53 -1.710 5.963 1.306 1.00 0.00 C ATOM 736 CD2 LEU A 53 -4.099 5.598 0.756 1.00 0.00 C ATOM 0 H LEU A 53 -1.740 8.782 1.087 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.652 7.052 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.414 7.938 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.254 7.081 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.420 5.109 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.683 5.007 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.722 6.184 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.000 6.749 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.068 4.653 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.382 6.399 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.832 5.531 -0.048 1.00 0.00 H new ATOM 748 N GLY A 54 -2.044 8.542 -2.953 1.00 0.00 N ATOM 749 CA GLY A 54 -2.143 9.483 -4.100 1.00 0.00 C ATOM 750 C GLY A 54 -2.958 8.828 -5.211 1.00 0.00 C ATOM 751 O GLY A 54 -3.484 7.746 -5.034 1.00 0.00 O ATOM 0 H GLY A 54 -2.516 7.648 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.616 10.413 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.148 9.739 -4.464 1.00 0.00 H new ATOM 755 N LYS A 55 -3.053 9.482 -6.331 1.00 0.00 N ATOM 756 CA LYS A 55 -3.834 8.892 -7.451 1.00 0.00 C ATOM 757 C LYS A 55 -3.075 7.713 -8.079 1.00 0.00 C ATOM 758 O LYS A 55 -2.561 7.813 -9.183 1.00 0.00 O ATOM 759 CB LYS A 55 -4.053 9.986 -8.512 1.00 0.00 C ATOM 760 CG LYS A 55 -5.214 9.574 -9.429 1.00 0.00 C ATOM 761 CD LYS A 55 -5.586 10.753 -10.342 1.00 0.00 C ATOM 762 CE LYS A 55 -4.392 11.112 -11.234 1.00 0.00 C ATOM 763 NZ LYS A 55 -3.811 9.877 -11.844 1.00 0.00 N ATOM 0 H LYS A 55 -2.629 10.390 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.788 8.522 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.275 10.938 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.145 10.129 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.929 8.710 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.076 9.276 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.447 10.491 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.875 11.615 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.709 11.799 -12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.632 11.628 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.379 10.113 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.086 9.485 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.563 9.173 -11.986 1.00 0.00 H new ATOM 777 N HIS A 56 -3.030 6.611 -7.358 1.00 0.00 N ATOM 778 CA HIS A 56 -2.315 5.411 -7.880 1.00 0.00 C ATOM 779 C HIS A 56 -2.649 4.147 -7.063 1.00 0.00 C ATOM 780 O HIS A 56 -3.548 4.150 -6.238 1.00 0.00 O ATOM 781 CB HIS A 56 -0.803 5.687 -7.778 1.00 0.00 C ATOM 782 CG HIS A 56 -0.439 6.133 -6.349 1.00 0.00 C ATOM 783 ND1 HIS A 56 -0.419 5.386 -5.341 1.00 0.00 N ATOM 784 CD2 HIS A 56 -0.009 7.365 -5.895 1.00 0.00 C ATOM 785 CE1 HIS A 56 -0.014 6.012 -4.307 1.00 0.00 C ATOM 786 NE2 HIS A 56 0.269 7.284 -4.568 1.00 0.00 N ATOM 0 H HIS A 56 -3.456 6.498 -6.438 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.626 5.233 -8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.243 4.789 -8.040 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.518 6.460 -8.492 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.091 8.254 -6.501 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.087 5.561 -3.331 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.607 8.010 -3.936 1.00 0.00 H new ATOM 794 N ASN A 57 -1.910 3.087 -7.318 1.00 0.00 N ATOM 795 CA ASN A 57 -2.150 1.810 -6.580 1.00 0.00 C ATOM 796 C ASN A 57 -0.894 1.376 -5.810 1.00 0.00 C ATOM 797 O ASN A 57 -0.757 0.230 -5.431 1.00 0.00 O ATOM 798 CB ASN A 57 -2.503 0.725 -7.613 1.00 0.00 C ATOM 799 CG ASN A 57 -1.380 0.623 -8.647 1.00 0.00 C ATOM 800 OD1 ASN A 57 -1.042 1.578 -9.311 1.00 0.00 O ATOM 801 ND2 ASN A 57 -0.777 -0.509 -8.813 1.00 0.00 N ATOM 0 H ASN A 57 -1.155 3.056 -8.003 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.959 1.954 -5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.642 -0.235 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.445 0.969 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.025 -0.591 -9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.053 -1.320 -8.259 1.00 0.00 H new ATOM 808 N TYR A 58 -0.002 2.305 -5.617 1.00 0.00 N ATOM 809 CA TYR A 58 1.258 2.000 -4.879 1.00 0.00 C ATOM 810 C TYR A 58 1.007 1.576 -3.433 1.00 0.00 C ATOM 811 O TYR A 58 -0.029 1.849 -2.864 1.00 0.00 O ATOM 812 CB TYR A 58 2.102 3.281 -4.859 1.00 0.00 C ATOM 813 CG TYR A 58 2.768 3.489 -6.225 1.00 0.00 C ATOM 814 CD1 TYR A 58 3.686 2.576 -6.707 1.00 0.00 C ATOM 815 CD2 TYR A 58 2.460 4.592 -6.992 1.00 0.00 C ATOM 816 CE1 TYR A 58 4.283 2.768 -7.938 1.00 0.00 C ATOM 817 CE2 TYR A 58 3.058 4.781 -8.222 1.00 0.00 C ATOM 818 CZ TYR A 58 3.973 3.872 -8.702 1.00 0.00 C ATOM 819 OH TYR A 58 4.564 4.060 -9.930 1.00 0.00 O ATOM 0 H TYR A 58 -0.090 3.269 -5.940 1.00 0.00 H new ATOM 0 HA TYR A 58 1.756 1.172 -5.384 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.473 4.138 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.862 3.214 -4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.939 1.707 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.745 5.315 -6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.999 2.047 -8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.806 5.649 -8.812 1.00 0.00 H new ATOM 0 HH TYR A 58 4.228 4.889 -10.331 1.00 0.00 H new ATOM 829 N CYS A 59 1.976 0.901 -2.880 1.00 0.00 N ATOM 830 CA CYS A 59 1.862 0.434 -1.482 1.00 0.00 C ATOM 831 C CYS A 59 2.434 1.486 -0.539 1.00 0.00 C ATOM 832 O CYS A 59 3.410 2.129 -0.862 1.00 0.00 O ATOM 833 CB CYS A 59 2.675 -0.845 -1.364 1.00 0.00 C ATOM 834 SG CYS A 59 2.191 -2.214 -2.435 1.00 0.00 S ATOM 0 H CYS A 59 2.848 0.654 -3.347 1.00 0.00 H new ATOM 0 HA CYS A 59 0.819 0.260 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.718 -0.605 -1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.623 -1.187 -0.330 1.00 0.00 H new ATOM 839 N ARG A 60 1.838 1.630 0.615 1.00 0.00 N ATOM 840 CA ARG A 60 2.348 2.646 1.579 1.00 0.00 C ATOM 841 C ARG A 60 2.208 2.160 3.023 1.00 0.00 C ATOM 842 O ARG A 60 1.629 1.128 3.273 1.00 0.00 O ATOM 843 CB ARG A 60 1.483 3.925 1.423 1.00 0.00 C ATOM 844 CG ARG A 60 1.331 4.291 -0.064 1.00 0.00 C ATOM 845 CD ARG A 60 2.652 4.848 -0.583 1.00 0.00 C ATOM 846 NE ARG A 60 2.842 6.224 -0.035 1.00 0.00 N ATOM 847 CZ ARG A 60 3.656 7.032 -0.609 1.00 0.00 C ATOM 848 NH1 ARG A 60 4.912 6.854 -0.461 1.00 0.00 N ATOM 849 NH2 ARG A 60 3.173 8.013 -1.284 1.00 0.00 N ATOM 0 H ARG A 60 1.029 1.094 0.929 1.00 0.00 H new ATOM 0 HA ARG A 60 3.401 2.832 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.501 3.764 1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.945 4.752 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.043 3.411 -0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.538 5.028 -0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.478 4.204 -0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.649 4.873 -1.673 1.00 0.00 H new ATOM 0 HE ARG A 60 2.326 6.520 0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.254 6.079 0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.573 7.487 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.163 8.135 -1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.800 8.669 -1.750 1.00 0.00 H new ATOM 863 N ASN A 61 2.747 2.928 3.938 1.00 0.00 N ATOM 864 CA ASN A 61 2.664 2.553 5.382 1.00 0.00 C ATOM 865 C ASN A 61 1.923 3.642 6.184 1.00 0.00 C ATOM 866 O ASN A 61 2.469 4.221 7.107 1.00 0.00 O ATOM 867 CB ASN A 61 4.088 2.413 5.963 1.00 0.00 C ATOM 868 CG ASN A 61 4.696 1.084 5.613 1.00 0.00 C ATOM 869 OD1 ASN A 61 5.960 1.020 5.362 1.00 0.00 O flip ATOM 870 ND2 ASN A 61 4.030 0.074 5.608 1.00 0.00 N flip ATOM 0 H ASN A 61 3.241 3.799 3.746 1.00 0.00 H new ATOM 0 HA ASN A 61 2.123 1.610 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.719 3.215 5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.053 2.524 7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.031 0.121 5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.468 -0.825 5.406 1.00 0.00 H new ATOM 877 N PRO A 62 0.674 3.889 5.818 1.00 0.00 N ATOM 878 CA PRO A 62 -0.143 4.900 6.498 1.00 0.00 C ATOM 879 C PRO A 62 -0.205 4.671 8.009 1.00 0.00 C ATOM 880 O PRO A 62 -0.352 5.607 8.767 1.00 0.00 O ATOM 881 CB PRO A 62 -1.548 4.749 5.884 1.00 0.00 C ATOM 882 CG PRO A 62 -1.447 3.700 4.742 1.00 0.00 C ATOM 883 CD PRO A 62 -0.003 3.179 4.722 1.00 0.00 C ATOM 0 HA PRO A 62 0.278 5.897 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.264 4.426 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.902 5.704 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.148 2.882 4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.706 4.150 3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.029 2.100 4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.477 3.382 3.765 1.00 0.00 H new ATOM 891 N ASP A 63 -0.108 3.437 8.416 1.00 0.00 N ATOM 892 CA ASP A 63 -0.159 3.142 9.875 1.00 0.00 C ATOM 893 C ASP A 63 1.247 3.180 10.480 1.00 0.00 C ATOM 894 O ASP A 63 1.410 3.227 11.686 1.00 0.00 O ATOM 895 CB ASP A 63 -0.735 1.715 10.084 1.00 0.00 C ATOM 896 CG ASP A 63 -1.484 1.237 8.840 1.00 0.00 C ATOM 897 OD1 ASP A 63 -0.811 0.993 7.847 1.00 0.00 O ATOM 898 OD2 ASP A 63 -2.686 1.114 8.957 1.00 0.00 O ATOM 0 H ASP A 63 0.003 2.626 7.808 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.785 3.891 10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.075 1.022 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.408 1.713 10.941 1.00 0.00 H new ATOM 903 N GLY A 64 2.234 3.188 9.625 1.00 0.00 N ATOM 904 CA GLY A 64 3.643 3.218 10.122 1.00 0.00 C ATOM 905 C GLY A 64 4.117 1.782 10.334 1.00 0.00 C ATOM 906 O GLY A 64 4.919 1.501 11.201 1.00 0.00 O ATOM 0 H GLY A 64 2.129 3.175 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.286 3.726 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.703 3.778 11.055 1.00 0.00 H new ATOM 910 N ASP A 65 3.598 0.910 9.518 1.00 0.00 N ATOM 911 CA ASP A 65 3.964 -0.517 9.608 1.00 0.00 C ATOM 912 C ASP A 65 5.406 -0.749 9.141 1.00 0.00 C ATOM 913 O ASP A 65 6.177 0.185 8.985 1.00 0.00 O ATOM 914 CB ASP A 65 2.993 -1.285 8.684 1.00 0.00 C ATOM 915 CG ASP A 65 2.121 -2.222 9.518 1.00 0.00 C ATOM 916 OD1 ASP A 65 1.118 -1.734 10.014 1.00 0.00 O ATOM 917 OD2 ASP A 65 2.508 -3.373 9.612 1.00 0.00 O ATOM 0 H ASP A 65 2.926 1.135 8.784 1.00 0.00 H new ATOM 0 HA ASP A 65 3.896 -0.858 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.366 -0.582 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.554 -1.857 7.945 1.00 0.00 H new ATOM 922 N ALA A 66 5.751 -1.994 8.948 1.00 0.00 N ATOM 923 CA ALA A 66 7.133 -2.311 8.492 1.00 0.00 C ATOM 924 C ALA A 66 7.317 -1.837 7.047 1.00 0.00 C ATOM 925 O ALA A 66 7.548 -0.669 6.798 1.00 0.00 O ATOM 926 CB ALA A 66 7.322 -3.839 8.569 1.00 0.00 C ATOM 0 H ALA A 66 5.140 -2.799 9.085 1.00 0.00 H new ATOM 0 HA ALA A 66 7.867 -1.808 9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.328 -4.098 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.180 -4.172 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.592 -4.329 7.925 1.00 0.00 H new ATOM 932 N LYS A 67 7.230 -2.741 6.117 1.00 0.00 N ATOM 933 CA LYS A 67 7.395 -2.325 4.709 1.00 0.00 C ATOM 934 C LYS A 67 6.034 -1.843 4.183 1.00 0.00 C ATOM 935 O LYS A 67 5.005 -2.421 4.495 1.00 0.00 O ATOM 936 CB LYS A 67 7.899 -3.535 3.877 1.00 0.00 C ATOM 937 CG LYS A 67 6.938 -4.732 4.028 1.00 0.00 C ATOM 938 CD LYS A 67 7.568 -5.793 4.954 1.00 0.00 C ATOM 939 CE LYS A 67 8.802 -6.408 4.277 1.00 0.00 C ATOM 940 NZ LYS A 67 8.719 -7.903 4.301 1.00 0.00 N ATOM 0 H LYS A 67 7.054 -3.734 6.270 1.00 0.00 H new ATOM 0 HA LYS A 67 8.122 -1.517 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.977 -3.254 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.898 -3.819 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.986 -4.396 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.728 -5.167 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.851 -5.338 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.839 -6.572 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.872 -6.058 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.707 -6.079 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.560 -8.305 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.674 -8.232 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.865 -8.211 3.793 1.00 0.00 H new ATOM 954 N PRO A 68 6.046 -0.776 3.405 1.00 0.00 N ATOM 955 CA PRO A 68 4.804 -0.230 2.851 1.00 0.00 C ATOM 956 C PRO A 68 3.937 -1.357 2.300 1.00 0.00 C ATOM 957 O PRO A 68 4.339 -2.090 1.422 1.00 0.00 O ATOM 958 CB PRO A 68 5.272 0.717 1.726 1.00 0.00 C ATOM 959 CG PRO A 68 6.818 0.883 1.880 1.00 0.00 C ATOM 960 CD PRO A 68 7.279 -0.105 2.967 1.00 0.00 C ATOM 0 HA PRO A 68 4.197 0.289 3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.024 0.305 0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.771 1.682 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.322 0.678 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.069 1.906 2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.001 -0.820 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.764 0.413 3.794 1.00 0.00 H new ATOM 968 N TRP A 69 2.771 -1.465 2.840 1.00 0.00 N ATOM 969 CA TRP A 69 1.823 -2.526 2.402 1.00 0.00 C ATOM 970 C TRP A 69 0.734 -1.950 1.520 1.00 0.00 C ATOM 971 O TRP A 69 0.844 -0.848 1.007 1.00 0.00 O ATOM 972 CB TRP A 69 1.158 -3.074 3.673 1.00 0.00 C ATOM 973 CG TRP A 69 0.484 -1.911 4.396 1.00 0.00 C ATOM 974 CD1 TRP A 69 1.131 -1.049 5.180 1.00 0.00 C ATOM 975 CD2 TRP A 69 -0.796 -1.583 4.277 1.00 0.00 C ATOM 976 NE1 TRP A 69 0.172 -0.179 5.537 1.00 0.00 N ATOM 977 CE2 TRP A 69 -1.068 -0.441 5.002 1.00 0.00 C ATOM 978 CE3 TRP A 69 -1.818 -2.186 3.543 1.00 0.00 C ATOM 979 CZ2 TRP A 69 -2.336 0.104 4.995 1.00 0.00 C ATOM 980 CZ3 TRP A 69 -3.086 -1.633 3.538 1.00 0.00 C ATOM 981 CH2 TRP A 69 -3.346 -0.493 4.262 1.00 0.00 C ATOM 0 H TRP A 69 2.420 -0.857 3.580 1.00 0.00 H new ATOM 0 HA TRP A 69 2.359 -3.291 1.841 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.425 -3.840 3.419 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.900 -3.544 4.318 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.174 -1.050 5.460 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.349 0.613 6.155 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.619 -3.085 2.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -2.540 0.999 5.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -3.874 -2.098 2.964 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -4.337 -0.064 4.258 1.00 0.00 H new ATOM 992 N CYS A 70 -0.286 -2.725 1.332 1.00 0.00 N ATOM 993 CA CYS A 70 -1.413 -2.267 0.496 1.00 0.00 C ATOM 994 C CYS A 70 -2.599 -3.221 0.617 1.00 0.00 C ATOM 995 O CYS A 70 -2.451 -4.367 1.017 1.00 0.00 O ATOM 996 CB CYS A 70 -0.957 -2.173 -0.953 1.00 0.00 C ATOM 997 SG CYS A 70 -0.750 -3.694 -1.883 1.00 0.00 S ATOM 0 H CYS A 70 -0.387 -3.661 1.724 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.735 -1.284 0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.676 -1.552 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.005 -1.643 -0.968 1.00 0.00 H new ATOM 1002 N HIS A 71 -3.746 -2.724 0.261 1.00 0.00 N ATOM 1003 CA HIS A 71 -4.980 -3.545 0.335 1.00 0.00 C ATOM 1004 C HIS A 71 -4.988 -4.707 -0.643 1.00 0.00 C ATOM 1005 O HIS A 71 -4.310 -4.697 -1.634 1.00 0.00 O ATOM 1006 CB HIS A 71 -6.140 -2.667 -0.114 1.00 0.00 C ATOM 1007 CG HIS A 71 -6.545 -1.666 0.920 1.00 0.00 C ATOM 1008 ND1 HIS A 71 -7.237 -1.927 1.917 1.00 0.00 N ATOM 1009 CD2 HIS A 71 -6.430 -0.309 0.891 1.00 0.00 C ATOM 1010 CE1 HIS A 71 -7.589 -0.875 2.508 1.00 0.00 C ATOM 1011 NE2 HIS A 71 -7.113 0.218 1.931 1.00 0.00 N ATOM 0 H HIS A 71 -3.882 -1.773 -0.082 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.046 -3.922 1.356 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.861 -2.144 -1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.995 -3.298 -0.356 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.880 0.256 0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.212 -0.864 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.230 1.195 2.200 1.00 0.00 H new ATOM 1019 N VAL A 72 -5.778 -5.690 -0.323 1.00 0.00 N ATOM 1020 CA VAL A 72 -5.883 -6.882 -1.208 1.00 0.00 C ATOM 1021 C VAL A 72 -7.281 -7.458 -1.117 1.00 0.00 C ATOM 1022 O VAL A 72 -7.924 -7.376 -0.089 1.00 0.00 O ATOM 1023 CB VAL A 72 -4.880 -7.967 -0.795 1.00 0.00 C ATOM 1024 CG1 VAL A 72 -3.482 -7.529 -1.195 1.00 0.00 C ATOM 1025 CG2 VAL A 72 -4.932 -8.191 0.715 1.00 0.00 C ATOM 0 H VAL A 72 -6.358 -5.720 0.516 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.664 -6.566 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.136 -8.900 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.764 -8.295 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.441 -7.384 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.237 -6.593 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.215 -8.963 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.683 -7.263 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.935 -8.507 1.002 1.00 0.00 H new ATOM 1035 N LEU A 73 -7.735 -8.006 -2.194 1.00 0.00 N ATOM 1036 CA LEU A 73 -9.100 -8.599 -2.198 1.00 0.00 C ATOM 1037 C LEU A 73 -9.042 -10.116 -2.007 1.00 0.00 C ATOM 1038 O LEU A 73 -8.403 -10.821 -2.765 1.00 0.00 O ATOM 1039 CB LEU A 73 -9.753 -8.291 -3.553 1.00 0.00 C ATOM 1040 CG LEU A 73 -11.277 -8.276 -3.386 1.00 0.00 C ATOM 1041 CD1 LEU A 73 -11.802 -6.868 -3.684 1.00 0.00 C ATOM 1042 CD2 LEU A 73 -11.900 -9.264 -4.372 1.00 0.00 C ATOM 0 H LEU A 73 -7.226 -8.073 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.676 -8.172 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.407 -7.327 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.463 -9.041 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.539 -8.559 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.886 -6.851 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.351 -6.157 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.543 -6.592 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.984 -9.258 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.641 -8.974 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.520 -10.266 -4.172 1.00 0.00 H new ATOM 1054 N LYS A 74 -9.702 -10.586 -0.985 1.00 0.00 N ATOM 1055 CA LYS A 74 -9.706 -12.050 -0.717 1.00 0.00 C ATOM 1056 C LYS A 74 -11.075 -12.671 -1.044 1.00 0.00 C ATOM 1057 O LYS A 74 -11.944 -12.019 -1.589 1.00 0.00 O ATOM 1058 CB LYS A 74 -9.393 -12.263 0.778 1.00 0.00 C ATOM 1059 CG LYS A 74 -8.279 -13.318 0.920 1.00 0.00 C ATOM 1060 CD LYS A 74 -7.099 -12.716 1.707 1.00 0.00 C ATOM 1061 CE LYS A 74 -5.782 -13.101 1.027 1.00 0.00 C ATOM 1062 NZ LYS A 74 -5.482 -14.545 1.263 1.00 0.00 N ATOM 0 H LYS A 74 -10.237 -10.021 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.959 -12.533 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.080 -11.323 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.289 -12.590 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.662 -14.199 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.945 -13.644 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.194 -11.631 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.110 -13.080 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.846 -12.906 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.970 -12.485 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.586 -14.794 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.401 -14.720 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.250 -15.127 0.872 1.00 0.00 H new ATOM 1076 N ASN A 75 -11.235 -13.922 -0.697 1.00 0.00 N ATOM 1077 CA ASN A 75 -12.530 -14.613 -0.974 1.00 0.00 C ATOM 1078 C ASN A 75 -13.730 -13.832 -0.420 1.00 0.00 C ATOM 1079 O ASN A 75 -14.081 -13.961 0.737 1.00 0.00 O ATOM 1080 CB ASN A 75 -12.488 -16.002 -0.308 1.00 0.00 C ATOM 1081 CG ASN A 75 -11.266 -16.770 -0.809 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -10.139 -16.405 -0.547 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -11.437 -17.831 -1.532 1.00 0.00 N ATOM 0 H ASN A 75 -10.527 -14.494 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 75 -12.654 -14.690 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.445 -15.896 0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.398 -16.555 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.629 -18.350 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.380 -18.147 -1.759 1.00 0.00 H new ATOM 1090 N ARG A 76 -14.328 -13.027 -1.266 1.00 0.00 N ATOM 1091 CA ARG A 76 -15.513 -12.215 -0.835 1.00 0.00 C ATOM 1092 C ARG A 76 -15.214 -11.354 0.402 1.00 0.00 C ATOM 1093 O ARG A 76 -16.121 -10.871 1.056 1.00 0.00 O ATOM 1094 CB ARG A 76 -16.664 -13.186 -0.509 1.00 0.00 C ATOM 1095 CG ARG A 76 -17.891 -12.807 -1.346 1.00 0.00 C ATOM 1096 CD ARG A 76 -18.950 -13.899 -1.209 1.00 0.00 C ATOM 1097 NE ARG A 76 -19.415 -13.935 0.211 1.00 0.00 N ATOM 1098 CZ ARG A 76 -20.672 -14.016 0.468 1.00 0.00 C ATOM 1099 NH1 ARG A 76 -21.221 -15.173 0.507 1.00 0.00 N ATOM 1100 NH2 ARG A 76 -21.329 -12.935 0.671 1.00 0.00 N ATOM 0 H ARG A 76 -14.047 -12.896 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.777 -11.536 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.364 -14.211 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.905 -13.141 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -18.293 -11.850 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.609 -12.686 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -19.788 -13.699 -1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -18.536 -14.866 -1.497 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.738 -13.895 0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -20.662 -16.009 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -22.217 -15.258 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -20.854 -12.034 0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -22.327 -12.976 0.877 1.00 0.00 H new ATOM 1114 N ARG A 77 -13.953 -11.172 0.691 1.00 0.00 N ATOM 1115 CA ARG A 77 -13.576 -10.350 1.872 1.00 0.00 C ATOM 1116 C ARG A 77 -12.394 -9.438 1.543 1.00 0.00 C ATOM 1117 O ARG A 77 -11.609 -9.733 0.664 1.00 0.00 O ATOM 1118 CB ARG A 77 -13.163 -11.303 3.003 1.00 0.00 C ATOM 1119 CG ARG A 77 -12.916 -10.489 4.283 1.00 0.00 C ATOM 1120 CD ARG A 77 -12.276 -11.381 5.346 1.00 0.00 C ATOM 1121 NE ARG A 77 -11.042 -10.696 5.861 1.00 0.00 N ATOM 1122 CZ ARG A 77 -10.386 -11.203 6.861 1.00 0.00 C ATOM 1123 NH1 ARG A 77 -10.898 -12.184 7.525 1.00 0.00 N ATOM 1124 NH2 ARG A 77 -9.236 -10.705 7.152 1.00 0.00 N ATOM 0 H ARG A 77 -13.171 -11.557 0.161 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.424 -9.730 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -13.944 -12.044 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -12.261 -11.848 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.266 -9.641 4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.857 -10.083 4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.977 -11.562 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.021 -12.353 4.922 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.719 -9.832 5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.811 -12.555 7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.389 -12.588 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.861 -9.932 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.699 -11.084 7.932 1.00 0.00 H new ATOM 1138 N LEU A 78 -12.301 -8.336 2.248 1.00 0.00 N ATOM 1139 CA LEU A 78 -11.177 -7.384 1.997 1.00 0.00 C ATOM 1140 C LEU A 78 -9.977 -7.712 2.905 1.00 0.00 C ATOM 1141 O LEU A 78 -10.131 -8.359 3.937 1.00 0.00 O ATOM 1142 CB LEU A 78 -11.683 -5.960 2.319 1.00 0.00 C ATOM 1143 CG LEU A 78 -10.727 -4.915 1.709 1.00 0.00 C ATOM 1144 CD1 LEU A 78 -11.334 -4.370 0.414 1.00 0.00 C ATOM 1145 CD2 LEU A 78 -10.528 -3.758 2.698 1.00 0.00 C ATOM 0 H LEU A 78 -12.952 -8.057 2.982 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.854 -7.461 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.688 -5.823 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.746 -5.822 3.398 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.765 -5.384 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.661 -3.631 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.479 -5.188 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.295 -3.903 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.852 -3.021 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.489 -3.289 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.101 -4.141 3.625 1.00 0.00 H new ATOM 1157 N THR A 79 -8.807 -7.274 2.496 1.00 0.00 N ATOM 1158 CA THR A 79 -7.582 -7.543 3.308 1.00 0.00 C ATOM 1159 C THR A 79 -6.471 -6.528 2.990 1.00 0.00 C ATOM 1160 O THR A 79 -6.715 -5.505 2.370 1.00 0.00 O ATOM 1161 CB THR A 79 -7.074 -8.962 2.965 1.00 0.00 C ATOM 1162 OG1 THR A 79 -7.679 -9.303 1.729 1.00 0.00 O ATOM 1163 CG2 THR A 79 -7.632 -9.996 3.946 1.00 0.00 C ATOM 0 H THR A 79 -8.651 -6.744 1.638 1.00 0.00 H new ATOM 0 HA THR A 79 -7.833 -7.458 4.365 1.00 0.00 H new ATOM 0 HB THR A 79 -5.984 -8.964 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.569 -8.563 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.259 -10.986 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.314 -9.746 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.721 -9.993 3.897 1.00 0.00 H new ATOM 1171 N TRP A 80 -5.274 -6.843 3.426 1.00 0.00 N ATOM 1172 CA TRP A 80 -4.099 -5.940 3.183 1.00 0.00 C ATOM 1173 C TRP A 80 -2.821 -6.613 3.689 1.00 0.00 C ATOM 1174 O TRP A 80 -2.774 -7.054 4.821 1.00 0.00 O ATOM 1175 CB TRP A 80 -4.315 -4.634 3.963 1.00 0.00 C ATOM 1176 CG TRP A 80 -4.268 -4.903 5.476 1.00 0.00 C ATOM 1177 CD1 TRP A 80 -5.313 -5.273 6.222 1.00 0.00 C ATOM 1178 CD2 TRP A 80 -3.197 -4.755 6.224 1.00 0.00 C ATOM 1179 NE1 TRP A 80 -4.801 -5.331 7.468 1.00 0.00 N ATOM 1180 CE2 TRP A 80 -3.482 -5.017 7.545 1.00 0.00 C ATOM 1181 CE3 TRP A 80 -1.914 -4.395 5.861 1.00 0.00 C ATOM 1182 CZ2 TRP A 80 -2.516 -4.918 8.501 1.00 0.00 C ATOM 1183 CZ3 TRP A 80 -0.928 -4.293 6.826 1.00 0.00 C ATOM 1184 CH2 TRP A 80 -1.229 -4.555 8.150 1.00 0.00 C ATOM 0 H TRP A 80 -5.057 -7.694 3.945 1.00 0.00 H new ATOM 0 HA TRP A 80 -4.005 -5.736 2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.548 -3.909 3.692 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -5.276 -4.196 3.694 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.325 -5.477 5.903 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.357 -5.589 8.283 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.681 -4.194 4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.756 -5.123 9.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 0.076 -4.009 6.546 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.462 -4.476 8.906 1.00 0.00 H new ATOM 1195 N GLU A 81 -1.800 -6.689 2.858 1.00 0.00 N ATOM 1196 CA GLU A 81 -0.552 -7.346 3.341 1.00 0.00 C ATOM 1197 C GLU A 81 0.690 -6.540 2.995 1.00 0.00 C ATOM 1198 O GLU A 81 0.636 -5.590 2.221 1.00 0.00 O ATOM 1199 CB GLU A 81 -0.450 -8.724 2.657 1.00 0.00 C ATOM 1200 CG GLU A 81 -0.792 -9.842 3.680 1.00 0.00 C ATOM 1201 CD GLU A 81 -2.319 -10.129 3.706 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -3.040 -9.368 3.076 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -2.675 -11.097 4.366 1.00 0.00 O ATOM 0 H GLU A 81 -1.781 -6.336 1.901 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.602 -7.430 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.134 -8.772 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.556 -8.872 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.252 -10.753 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.458 -9.544 4.674 1.00 0.00 H new ATOM 1210 N TYR A 82 1.790 -6.917 3.598 1.00 0.00 N ATOM 1211 CA TYR A 82 3.047 -6.195 3.320 1.00 0.00 C ATOM 1212 C TYR A 82 3.313 -6.249 1.834 1.00 0.00 C ATOM 1213 O TYR A 82 3.142 -7.275 1.223 1.00 0.00 O ATOM 1214 CB TYR A 82 4.195 -6.904 4.059 1.00 0.00 C ATOM 1215 CG TYR A 82 4.107 -6.595 5.558 1.00 0.00 C ATOM 1216 CD1 TYR A 82 4.041 -5.289 6.006 1.00 0.00 C ATOM 1217 CD2 TYR A 82 4.095 -7.618 6.482 1.00 0.00 C ATOM 1218 CE1 TYR A 82 3.965 -5.016 7.356 1.00 0.00 C ATOM 1219 CE2 TYR A 82 4.019 -7.340 7.833 1.00 0.00 C ATOM 1220 CZ TYR A 82 3.954 -6.040 8.277 1.00 0.00 C ATOM 1221 OH TYR A 82 3.885 -5.771 9.622 1.00 0.00 O ATOM 0 H TYR A 82 1.862 -7.687 4.263 1.00 0.00 H new ATOM 0 HA TYR A 82 2.973 -5.159 3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.137 -7.980 3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.155 -6.572 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.049 -4.477 5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.145 -8.644 6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.914 -3.991 7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.011 -8.151 8.547 1.00 0.00 H new ATOM 0 HH TYR A 82 3.406 -4.928 9.763 1.00 0.00 H new ATOM 1231 N CYS A 83 3.714 -5.162 1.266 1.00 0.00 N ATOM 1232 CA CYS A 83 3.976 -5.192 -0.183 1.00 0.00 C ATOM 1233 C CYS A 83 5.296 -5.900 -0.433 1.00 0.00 C ATOM 1234 O CYS A 83 6.141 -5.949 0.444 1.00 0.00 O ATOM 1235 CB CYS A 83 4.062 -3.744 -0.678 1.00 0.00 C ATOM 1236 SG CYS A 83 3.805 -3.408 -2.425 1.00 0.00 S ATOM 0 H CYS A 83 3.870 -4.268 1.732 1.00 0.00 H new ATOM 0 HA CYS A 83 3.182 -5.722 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.331 -3.160 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.047 -3.362 -0.410 1.00 0.00 H new ATOM 1241 N ASP A 84 5.473 -6.429 -1.608 1.00 0.00 N ATOM 1242 CA ASP A 84 6.754 -7.130 -1.880 1.00 0.00 C ATOM 1243 C ASP A 84 7.869 -6.121 -2.161 1.00 0.00 C ATOM 1244 O ASP A 84 8.368 -6.014 -3.262 1.00 0.00 O ATOM 1245 CB ASP A 84 6.570 -8.049 -3.101 1.00 0.00 C ATOM 1246 CG ASP A 84 7.598 -9.184 -3.036 1.00 0.00 C ATOM 1247 OD1 ASP A 84 8.773 -8.861 -3.137 1.00 0.00 O ATOM 1248 OD2 ASP A 84 7.151 -10.305 -2.880 1.00 0.00 O ATOM 0 H ASP A 84 4.803 -6.408 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 84 7.033 -7.719 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.560 -8.458 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.696 -7.480 -4.022 1.00 0.00 H new ATOM 1253 N VAL A 85 8.228 -5.386 -1.145 1.00 0.00 N ATOM 1254 CA VAL A 85 9.307 -4.372 -1.311 1.00 0.00 C ATOM 1255 C VAL A 85 10.655 -4.952 -0.840 1.00 0.00 C ATOM 1256 O VAL A 85 10.893 -5.097 0.349 1.00 0.00 O ATOM 1257 CB VAL A 85 8.948 -3.144 -0.445 1.00 0.00 C ATOM 1258 CG1 VAL A 85 9.792 -1.947 -0.892 1.00 0.00 C ATOM 1259 CG2 VAL A 85 7.461 -2.805 -0.631 1.00 0.00 C ATOM 0 H VAL A 85 7.823 -5.443 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 85 9.395 -4.091 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 85 9.146 -3.367 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.542 -1.078 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.849 -2.182 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.586 -1.728 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.206 -1.939 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.268 -2.579 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.853 -3.656 -0.325 1.00 0.00 H new ATOM 1269 N PRO A 86 11.522 -5.268 -1.795 1.00 0.00 N ATOM 1270 CA PRO A 86 12.841 -5.831 -1.482 1.00 0.00 C ATOM 1271 C PRO A 86 13.644 -4.908 -0.562 1.00 0.00 C ATOM 1272 O PRO A 86 14.132 -3.881 -0.980 1.00 0.00 O ATOM 1273 CB PRO A 86 13.546 -5.967 -2.853 1.00 0.00 C ATOM 1274 CG PRO A 86 12.541 -5.493 -3.944 1.00 0.00 C ATOM 1275 CD PRO A 86 11.255 -5.056 -3.228 1.00 0.00 C ATOM 0 HA PRO A 86 12.755 -6.781 -0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.453 -5.364 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.845 -7.000 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.960 -4.667 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.333 -6.298 -4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.024 -4.011 -3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.399 -5.644 -3.561 1.00 0.00 H new ATOM 1283 N SER A 87 13.751 -5.295 0.683 1.00 0.00 N ATOM 1284 CA SER A 87 14.516 -4.461 1.661 1.00 0.00 C ATOM 1285 C SER A 87 15.959 -4.261 1.211 1.00 0.00 C ATOM 1286 O SER A 87 16.481 -5.023 0.418 1.00 0.00 O ATOM 1287 CB SER A 87 14.525 -5.188 3.016 1.00 0.00 C ATOM 1288 OG SER A 87 15.167 -4.269 3.898 1.00 0.00 O ATOM 0 H SER A 87 13.344 -6.149 1.065 1.00 0.00 H new ATOM 0 HA SER A 87 14.037 -3.485 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.514 -5.422 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.068 -6.132 2.959 1.00 0.00 H new ATOM 0 HG SER A 87 15.214 -4.657 4.797 1.00 0.00 H new ATOM 1294 N CYS A 88 16.578 -3.229 1.719 1.00 0.00 N ATOM 1295 CA CYS A 88 17.994 -2.961 1.332 1.00 0.00 C ATOM 1296 C CYS A 88 18.954 -3.802 2.183 1.00 0.00 C ATOM 1297 O CYS A 88 20.047 -4.106 1.765 1.00 0.00 O ATOM 1298 CB CYS A 88 18.288 -1.466 1.561 1.00 0.00 C ATOM 1299 SG CYS A 88 16.948 -0.291 1.210 1.00 0.00 S ATOM 0 H CYS A 88 16.170 -2.566 2.378 1.00 0.00 H new ATOM 0 HA CYS A 88 18.138 -3.225 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 88 18.587 -1.336 2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 88 19.146 -1.193 0.947 1.00 0.00 H new ATOM 1304 N SER A 89 18.502 -4.162 3.364 1.00 0.00 N ATOM 1305 CA SER A 89 19.348 -4.988 4.292 1.00 0.00 C ATOM 1306 C SER A 89 20.638 -4.266 4.697 1.00 0.00 C ATOM 1307 O SER A 89 20.726 -3.721 5.783 1.00 0.00 O ATOM 1308 CB SER A 89 19.711 -6.312 3.589 1.00 0.00 C ATOM 1309 OG SER A 89 18.549 -7.120 3.753 1.00 0.00 O ATOM 0 H SER A 89 17.580 -3.919 3.727 1.00 0.00 H new ATOM 0 HA SER A 89 18.772 -5.170 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.942 -6.154 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.587 -6.777 4.041 1.00 0.00 H new ATOM 0 HG SER A 89 18.694 -7.991 3.329 1.00 0.00 H new ATOM 1315 N THR A 90 21.610 -4.273 3.822 1.00 0.00 N ATOM 1316 CA THR A 90 22.899 -3.592 4.143 1.00 0.00 C ATOM 1317 C THR A 90 23.514 -2.981 2.889 1.00 0.00 C ATOM 1318 O THR A 90 23.671 -3.734 1.940 1.00 0.00 O ATOM 1319 CB THR A 90 23.880 -4.634 4.710 1.00 0.00 C ATOM 1320 OG1 THR A 90 23.167 -5.326 5.717 1.00 0.00 O ATOM 1321 CG2 THR A 90 25.026 -3.952 5.468 1.00 0.00 C ATOM 1322 OXT THR A 90 23.797 -1.797 2.948 1.00 0.00 O ATOM 0 H THR A 90 21.568 -4.718 2.905 1.00 0.00 H new ATOM 0 HA THR A 90 22.707 -2.800 4.867 1.00 0.00 H new ATOM 0 HB THR A 90 24.263 -5.249 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 90 23.745 -6.009 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 90 25.705 -4.710 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 90 25.569 -3.293 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 90 24.619 -3.368 6.294 1.00 0.00 H new TER 1330 THR A 90 HETATM 1331 C1 ACA A 91 -8.841 -4.085 5.308 1.00 0.00 C HETATM 1332 O1 ACA A 91 -8.799 -5.262 4.998 1.00 0.00 O HETATM 1333 O2 ACA A 91 -9.744 -3.503 5.879 1.00 0.00 O HETATM 1334 C2 ACA A 91 -7.623 -3.238 4.921 1.00 0.00 C HETATM 1335 C3 ACA A 91 -7.234 -2.323 6.084 1.00 0.00 C HETATM 1336 C4 ACA A 91 -5.783 -1.872 5.910 1.00 0.00 C HETATM 1337 C5 ACA A 91 -5.051 -1.969 7.257 1.00 0.00 C HETATM 1338 C6 ACA A 91 -3.608 -1.516 7.062 1.00 0.00 C HETATM 1339 N6 ACA A 91 -2.803 -1.743 8.292 1.00 0.00 N HETATM 0 HN62 ACA A 91 -1.816 -1.487 8.310 1.00 0.00 H new HETATM 0 HN61 ACA A 91 -3.238 -2.154 9.118 1.00 0.00 H new HETATM 0 H62 ACA A 91 -3.163 -2.058 6.228 1.00 0.00 H new HETATM 0 H61 ACA A 91 -3.588 -0.458 6.801 1.00 0.00 H new HETATM 0 H52 ACA A 91 -5.546 -1.345 8.002 1.00 0.00 H new HETATM 0 H51 ACA A 91 -5.079 -2.993 7.629 1.00 0.00 H new HETATM 0 H42 ACA A 91 -5.284 -2.495 5.167 1.00 0.00 H new HETATM 0 H41 ACA A 91 -5.751 -0.847 5.540 1.00 0.00 H new HETATM 0 H32 ACA A 91 -7.895 -1.457 6.117 1.00 0.00 H new HETATM 0 H31 ACA A 91 -7.352 -2.850 7.031 1.00 0.00 H new HETATM 0 H22 ACA A 91 -6.786 -3.886 4.661 1.00 0.00 H new HETATM 0 H21 ACA A 91 -7.850 -2.641 4.038 1.00 0.00 H new CONECT 78 1299 CONECT 359 997 CONECT 834 1236 CONECT 997 359 CONECT 1236 834 CONECT 1299 78 CONECT 1331 1332 1333 1334 CONECT 1332 1331 CONECT 1333 1331 CONECT 1334 1331 1335 1340 1341 CONECT 1335 1334 1336 1342 1343 CONECT 1336 1335 1337 1344 1345 CONECT 1337 1336 1338 1346 1347 CONECT 1338 1337 1339 1348 1349 CONECT 1339 1338 1350 1351 CONECT 1340 1334 CONECT 1341 1334 CONECT 1342 1335 CONECT 1343 1335 CONECT 1344 1336 CONECT 1345 1336 CONECT 1346 1337 CONECT 1347 1337 CONECT 1348 1338 CONECT 1349 1338 CONECT 1350 1339 CONECT 1351 1339 END