USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) HEADER CYTOTOXIN 08-JUL-94 1CXN TITLE REFINED THREE-DIMENSIONAL SOLUTION STRUCTURE OF A SNAKE TITLE 2 CARDIOTOXIN: ANALYSIS OF THE SIDE-CHAIN ORGANISATION TITLE 3 SUGGESTS THE EXISTENCE OF A POSSIBLE PHOSPHOLIPID BINDING TITLE 4 SITE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARDIOTOXIN GAMMA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NAJA NIGRICOLLIS; SOURCE 3 ORGANISM_COMMON: SPITTING COBRA; SOURCE 4 ORGANISM_TAXID: 8654 KEYWDS CYTOTOXIN EXPDTA SOLUTION NMR AUTHOR B.GILQUIN,C.ROUMESTAND,S.ZINN-JUSTIN,A.MENEZ,F.TOMA REVDAT 3 24-FEB-09 1CXN 1 VERSN REVDAT 2 01-APR-03 1CXN 1 JRNL REVDAT 1 20-DEC-94 1CXN 0 JRNL AUTH B.GILQUIN,C.ROUMESTAND,S.ZINN-JUSTIN,A.MENEZ,F.TOMA JRNL TITL REFINED THREE-DIMENSIONAL SOLUTION STRUCTURE OF A JRNL TITL 2 SNAKE CARDIOTOXIN: ANALYSIS OF THE SIDE-CHAIN JRNL TITL 3 ORGANIZATION SUGGESTS THE EXISTENCE OF A POSSIBLE JRNL TITL 4 PHOSPHOLIPID BINDING SITE. JRNL REF BIOPOLYMERS V. 33 1659 1993 JRNL REFN ISSN 0006-3525 JRNL PMID 8241426 JRNL DOI 10.1002/BIP.360331104 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.ROUMESTAND,B.GILQUIN,O.TREMEAU,E.GATINEAU, REMARK 1 AUTH 2 L.MOUAWAD,A.MENEZ,F.TOMA REMARK 1 TITL PROTON NMR STUDIES OF THE STRUCTURAL AND DYNAMICAL REMARK 1 TITL 2 EFFECTS OF CHEMICAL MODIFICATION OF SINGLE REMARK 1 TITL 3 AROMATIC SIDE CHAIN IN A SNAKE CARDIOTOXIN: REMARK 1 TITL 4 RELATION WITH THE STRUCTURE OF THE PUTATIVE REMARK 1 TITL 5 BINDING SITE AND THE CYTOLITIC ACTIVITY OF THE REMARK 1 TITL 6 TOXIN 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 1CXN 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 LYS A 18 CA LYS A 18 CB -0.146 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 PHE A 10 CB - CG - CD2 ANGL. DEV. = -5.3 DEGREES REMARK 500 TRP A 11 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES REMARK 500 TRP A 11 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 11 NE1 - CE2 - CZ2 ANGL. DEV. = 9.4 DEGREES REMARK 500 TRP A 11 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 GLN A 5 -118.47 -89.51 REMARK 500 LEU A 6 -113.16 -64.35 REMARK 500 PRO A 9 75.67 -51.46 REMARK 500 PRO A 30 -70.54 -61.20 REMARK 500 MET A 31 65.63 -155.75 REMARK 500 PRO A 33 96.23 -66.61 REMARK 500 VAL A 34 -70.78 -90.88 REMARK 500 ILE A 39 -157.76 -134.62 REMARK 500 ASP A 40 -62.63 -121.92 REMARK 500 LYS A 58 -24.75 67.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CXO RELATED DB: PDB DBREF 1CXN A 1 60 UNP P01468 CX1_NAJPA 1 60 SEQRES 1 A 60 LEU LYS CYS ASN GLN LEU ILE PRO PRO PHE TRP LYS THR SEQRES 2 A 60 CYS PRO LYS GLY LYS ASN LEU CYS TYR LYS MET THR MET SEQRES 3 A 60 ARG ALA ALA PRO MET VAL PRO VAL LYS ARG GLY CYS ILE SEQRES 4 A 60 ASP VAL CYS PRO LYS SER SER LEU LEU ILE LYS TYR MET SEQRES 5 A 60 CYS CYS ASN THR ASP LYS CYS ASN SHEET 1 A 2 LYS A 2 ASN A 4 0 SHEET 2 A 2 TRP A 11 THR A 13 -1 O LYS A 12 N CYS A 3 SHEET 1 B 3 VAL A 32 ILE A 39 0 SHEET 2 B 3 LEU A 20 MET A 26 -1 N LEU A 20 O ILE A 39 SHEET 3 B 3 ILE A 49 CYS A 54 -1 N LYS A 50 O THR A 25 SSBOND *** CYS A 3 CYS A 21 1555 1555 2.02 SSBOND *** CYS A 14 CYS A 38 1555 1555 2.02 SSBOND *** CYS A 42 CYS A 53 1555 1555 2.02 SSBOND *** CYS A 54 CYS A 59 1555 1555 2.02 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 4 ASN : amide:sc= -7! K(o=-9.9!,f=-2.8) USER MOD Set 1.2: A 60 ASN : amide:sc= -2.85 K(o=-9.9,f=-12!) USER MOD Set 2.1: A 55 ASN : amide:sc= -2.77! K(o=-2.7!,f=0.062) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0.118 USER MOD Set 3.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 46 SER OG : rot -137:sc= -0.415 USER MOD Set 4.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 22 TYR OH : rot 150:sc= 0 USER MOD Set 5.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 2 LYS NZ :NH3+ -141:sc= -1.95 (180deg=-0.42) USER MOD Set 6.2: A 58 LYS NZ :NH3+ -174:sc= -1.08 (180deg=-0.601) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.47) USER MOD Single : A 12 LYS NZ :NH3+ -116:sc= -0.641 (180deg=-1.05) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= -0.0656 (180deg=-0.467) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0.185 (180deg=0.0861) USER MOD Single : A 24 MET CE :methyl -104:sc= -2.2 (180deg=-5.86!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 26 MET CE :methyl -174:sc= 0 (180deg=-0.0345) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -5.884 -13.596 -2.652 1.00 0.00 N ATOM 2 CA LEU A 1 -5.517 -12.161 -2.795 1.00 0.00 C ATOM 3 C LEU A 1 -5.213 -11.672 -1.374 1.00 0.00 C ATOM 4 O LEU A 1 -6.107 -11.529 -0.562 1.00 0.00 O ATOM 5 CB LEU A 1 -6.706 -11.387 -3.401 1.00 0.00 C ATOM 6 CG LEU A 1 -6.298 -10.030 -4.028 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.531 -9.131 -3.046 1.00 0.00 C ATOM 8 CD2 LEU A 1 -5.486 -10.253 -5.315 1.00 0.00 C ATOM 0 H1 LEU A 1 -6.104 -13.993 -3.588 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.088 -14.118 -2.233 1.00 0.00 H new ATOM 0 H3 LEU A 1 -6.717 -13.682 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.661 -12.011 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.181 -12.004 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.450 -11.211 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 1 -7.220 -9.504 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -5.270 -8.194 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -6.157 -8.923 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -4.621 -9.637 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -5.208 -9.289 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -4.585 -10.820 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -6.089 -10.808 -6.034 1.00 0.00 H new ATOM 22 N LYS A 2 -3.960 -11.426 -1.103 1.00 0.00 N ATOM 23 CA LYS A 2 -3.587 -10.951 0.258 1.00 0.00 C ATOM 24 C LYS A 2 -2.409 -10.010 0.100 1.00 0.00 C ATOM 25 O LYS A 2 -1.844 -9.950 -0.968 1.00 0.00 O ATOM 26 CB LYS A 2 -3.206 -12.160 1.092 1.00 0.00 C ATOM 27 CG LYS A 2 -2.042 -12.885 0.398 1.00 0.00 C ATOM 28 CD LYS A 2 -1.657 -14.109 1.226 1.00 0.00 C ATOM 29 CE LYS A 2 -0.577 -14.895 0.479 1.00 0.00 C ATOM 30 NZ LYS A 2 0.642 -14.056 0.305 1.00 0.00 N ATOM 0 H LYS A 2 -3.186 -11.532 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.407 -10.429 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.915 -11.851 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.059 -12.830 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.332 -13.187 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.188 -12.215 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.290 -13.801 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.531 -14.738 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.328 -15.801 1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.953 -15.209 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.050 -14.227 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.388 -13.052 0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.341 -14.303 1.035 1.00 0.00 H new ATOM 44 N CYS A 3 -2.041 -9.282 1.114 1.00 0.00 N ATOM 45 CA CYS A 3 -0.875 -8.378 0.913 1.00 0.00 C ATOM 46 C CYS A 3 -0.155 -8.069 2.215 1.00 0.00 C ATOM 47 O CYS A 3 -0.775 -7.900 3.245 1.00 0.00 O ATOM 48 CB CYS A 3 -1.346 -7.082 0.288 1.00 0.00 C ATOM 49 SG CYS A 3 -2.198 -7.153 -1.304 1.00 0.00 S ATOM 0 H CYS A 3 -2.474 -9.269 2.037 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.172 -8.891 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.012 -6.594 0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.476 -6.435 0.170 1.00 0.00 H new ATOM 54 N ASN A 4 1.145 -8.001 2.139 1.00 0.00 N ATOM 55 CA ASN A 4 1.920 -7.699 3.372 1.00 0.00 C ATOM 56 C ASN A 4 1.814 -6.223 3.704 1.00 0.00 C ATOM 57 O ASN A 4 1.729 -5.397 2.819 1.00 0.00 O ATOM 58 CB ASN A 4 3.393 -8.028 3.185 1.00 0.00 C ATOM 59 CG ASN A 4 4.039 -7.046 2.197 1.00 0.00 C ATOM 60 OD1 ASN A 4 5.020 -6.401 2.508 1.00 0.00 O ATOM 61 ND2 ASN A 4 3.531 -6.895 1.003 1.00 0.00 N ATOM 0 H ASN A 4 1.696 -8.139 1.292 1.00 0.00 H new ATOM 0 HA ASN A 4 1.506 -8.307 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.908 -7.980 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.500 -9.048 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.958 -6.242 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.707 -7.430 0.728 1.00 0.00 H new ATOM 68 N GLN A 5 1.816 -5.911 4.969 1.00 0.00 N ATOM 69 CA GLN A 5 1.723 -4.469 5.309 1.00 0.00 C ATOM 70 C GLN A 5 3.181 -4.013 5.352 1.00 0.00 C ATOM 71 O GLN A 5 3.833 -4.114 4.334 1.00 0.00 O ATOM 72 CB GLN A 5 0.970 -4.309 6.674 1.00 0.00 C ATOM 73 CG GLN A 5 1.646 -5.030 7.830 1.00 0.00 C ATOM 74 CD GLN A 5 0.592 -5.449 8.859 1.00 0.00 C ATOM 75 OE1 GLN A 5 0.719 -5.173 10.035 1.00 0.00 O ATOM 76 NE2 GLN A 5 -0.459 -6.115 8.465 1.00 0.00 N ATOM 0 H GLN A 5 1.875 -6.562 5.752 1.00 0.00 H new ATOM 0 HA GLN A 5 1.156 -3.865 4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.892 -3.249 6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.046 -4.687 6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.180 -5.907 7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.385 -4.379 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.573 -6.351 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.166 -6.400 9.143 1.00 0.00 H new ATOM 85 N LEU A 6 3.703 -3.542 6.449 1.00 0.00 N ATOM 86 CA LEU A 6 5.125 -3.107 6.431 1.00 0.00 C ATOM 87 C LEU A 6 6.241 -4.137 6.177 1.00 0.00 C ATOM 88 O LEU A 6 6.325 -4.668 5.088 1.00 0.00 O ATOM 89 CB LEU A 6 5.380 -2.372 7.757 1.00 0.00 C ATOM 90 CG LEU A 6 4.449 -1.146 7.872 1.00 0.00 C ATOM 91 CD1 LEU A 6 4.599 -0.563 9.277 1.00 0.00 C ATOM 92 CD2 LEU A 6 4.871 -0.054 6.873 1.00 0.00 C ATOM 0 H LEU A 6 3.218 -3.441 7.340 1.00 0.00 H new ATOM 0 HA LEU A 6 5.208 -2.495 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.209 -3.048 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.421 -2.054 7.811 1.00 0.00 H new ATOM 0 HG LEU A 6 3.425 -1.458 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.949 0.306 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.320 -1.315 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.635 -0.263 9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.204 0.803 6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.894 0.257 7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.814 -0.448 5.858 1.00 0.00 H new ATOM 104 N ILE A 7 7.071 -4.406 7.155 1.00 0.00 N ATOM 105 CA ILE A 7 8.174 -5.388 6.928 1.00 0.00 C ATOM 106 C ILE A 7 8.221 -6.792 7.560 1.00 0.00 C ATOM 107 O ILE A 7 8.404 -7.723 6.801 1.00 0.00 O ATOM 108 CB ILE A 7 9.500 -4.632 7.246 1.00 0.00 C ATOM 109 CG1 ILE A 7 9.289 -3.168 7.754 1.00 0.00 C ATOM 110 CG2 ILE A 7 10.321 -4.568 5.956 1.00 0.00 C ATOM 111 CD1 ILE A 7 8.935 -3.047 9.238 1.00 0.00 C ATOM 0 H ILE A 7 7.034 -3.994 8.087 1.00 0.00 H new ATOM 0 HA ILE A 7 7.983 -5.697 5.901 1.00 0.00 H new ATOM 0 HB ILE A 7 9.998 -5.179 8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.199 -2.598 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.495 -2.706 7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.257 -4.043 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.535 -5.579 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.756 -4.036 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.808 -1.996 9.497 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.007 -3.584 9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.737 -3.475 9.839 1.00 0.00 H new ATOM 123 N PRO A 8 8.076 -6.995 8.845 1.00 0.00 N ATOM 124 CA PRO A 8 8.131 -8.368 9.401 1.00 0.00 C ATOM 125 C PRO A 8 6.937 -9.148 8.847 1.00 0.00 C ATOM 126 O PRO A 8 6.027 -8.542 8.326 1.00 0.00 O ATOM 127 CB PRO A 8 8.111 -8.153 10.912 1.00 0.00 C ATOM 128 CG PRO A 8 7.313 -6.846 11.050 1.00 0.00 C ATOM 129 CD PRO A 8 7.844 -5.980 9.891 1.00 0.00 C ATOM 0 HA PRO A 8 9.009 -8.957 9.134 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.629 -8.980 11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.117 -8.060 11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.240 -7.019 10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.483 -6.372 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.121 -5.227 9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.759 -5.452 10.160 1.00 0.00 H new ATOM 137 N PRO A 9 6.958 -10.449 8.950 1.00 0.00 N ATOM 138 CA PRO A 9 5.861 -11.319 8.450 1.00 0.00 C ATOM 139 C PRO A 9 4.420 -10.994 8.884 1.00 0.00 C ATOM 140 O PRO A 9 3.881 -11.676 9.734 1.00 0.00 O ATOM 141 CB PRO A 9 6.272 -12.725 8.885 1.00 0.00 C ATOM 142 CG PRO A 9 7.809 -12.632 8.939 1.00 0.00 C ATOM 143 CD PRO A 9 8.059 -11.242 9.556 1.00 0.00 C ATOM 0 HA PRO A 9 5.776 -11.171 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.849 -12.988 9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.938 -13.482 8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.239 -13.426 9.549 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.252 -12.717 7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.002 -11.260 10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.041 -10.847 9.295 1.00 0.00 H new ATOM 151 N PHE A 10 3.813 -9.980 8.322 1.00 0.00 N ATOM 152 CA PHE A 10 2.415 -9.685 8.740 1.00 0.00 C ATOM 153 C PHE A 10 1.536 -9.107 7.647 1.00 0.00 C ATOM 154 O PHE A 10 1.362 -7.923 7.469 1.00 0.00 O ATOM 155 CB PHE A 10 2.387 -8.744 9.972 1.00 0.00 C ATOM 156 CG PHE A 10 3.208 -7.470 9.925 1.00 0.00 C ATOM 157 CD1 PHE A 10 3.850 -6.998 8.809 1.00 0.00 C ATOM 158 CD2 PHE A 10 3.289 -6.777 11.105 1.00 0.00 C ATOM 159 CE1 PHE A 10 4.580 -5.822 8.882 1.00 0.00 C ATOM 160 CE2 PHE A 10 4.007 -5.611 11.191 1.00 0.00 C ATOM 161 CZ PHE A 10 4.653 -5.133 10.079 1.00 0.00 C ATOM 0 H PHE A 10 4.211 -9.363 7.614 1.00 0.00 H new ATOM 0 HA PHE A 10 1.994 -10.658 8.995 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.349 -8.464 10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.716 -9.320 10.837 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.787 -7.540 7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.780 -7.154 11.980 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.090 -5.445 8.008 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.063 -5.074 12.126 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.220 -4.216 10.139 1.00 0.00 H new ATOM 171 N TRP A 11 0.992 -10.046 6.930 1.00 0.00 N ATOM 172 CA TRP A 11 0.085 -9.742 5.794 1.00 0.00 C ATOM 173 C TRP A 11 -1.349 -10.041 6.209 1.00 0.00 C ATOM 174 O TRP A 11 -1.604 -10.464 7.319 1.00 0.00 O ATOM 175 CB TRP A 11 0.488 -10.622 4.607 1.00 0.00 C ATOM 176 CG TRP A 11 0.413 -12.069 5.094 1.00 0.00 C ATOM 177 CD1 TRP A 11 1.412 -12.727 5.733 1.00 0.00 C ATOM 178 CD2 TRP A 11 -0.647 -12.887 4.980 1.00 0.00 C ATOM 179 NE1 TRP A 11 0.881 -13.912 5.966 1.00 0.00 N ATOM 180 CE2 TRP A 11 -0.364 -14.109 5.549 1.00 0.00 C ATOM 181 CE3 TRP A 11 -1.874 -12.652 4.408 1.00 0.00 C ATOM 182 CZ2 TRP A 11 -1.333 -15.098 5.540 1.00 0.00 C ATOM 183 CZ3 TRP A 11 -2.834 -13.632 4.399 1.00 0.00 C ATOM 184 CH2 TRP A 11 -2.569 -14.857 4.965 1.00 0.00 C ATOM 0 H TRP A 11 1.144 -11.042 7.090 1.00 0.00 H new ATOM 0 HA TRP A 11 0.158 -8.692 5.511 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.181 -10.462 3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.495 -10.379 4.268 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.399 -12.369 5.988 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.404 -14.645 6.446 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.084 -11.691 3.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.124 -16.061 5.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.797 -13.442 3.948 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.324 -15.630 4.961 1.00 0.00 H new ATOM 195 N LYS A 12 -2.250 -9.811 5.297 1.00 0.00 N ATOM 196 CA LYS A 12 -3.681 -10.075 5.595 1.00 0.00 C ATOM 197 C LYS A 12 -4.441 -10.319 4.303 1.00 0.00 C ATOM 198 O LYS A 12 -4.076 -9.834 3.251 1.00 0.00 O ATOM 199 CB LYS A 12 -4.353 -8.886 6.312 1.00 0.00 C ATOM 200 CG LYS A 12 -4.383 -7.577 5.471 1.00 0.00 C ATOM 201 CD LYS A 12 -3.016 -6.869 5.462 1.00 0.00 C ATOM 202 CE LYS A 12 -3.086 -5.639 4.539 1.00 0.00 C ATOM 203 NZ LYS A 12 -4.128 -4.679 5.009 1.00 0.00 N ATOM 0 H LYS A 12 -2.057 -9.453 4.362 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.711 -10.949 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.375 -9.162 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.826 -8.694 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.678 -7.810 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.138 -6.903 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.745 -6.564 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.241 -7.554 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.115 -5.144 4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.311 -5.956 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.878 -4.602 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.537 -5.020 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.697 -3.745 5.160 1.00 0.00 H new ATOM 217 N THR A 13 -5.490 -11.078 4.428 1.00 0.00 N ATOM 218 CA THR A 13 -6.307 -11.378 3.222 1.00 0.00 C ATOM 219 C THR A 13 -7.212 -10.175 3.001 1.00 0.00 C ATOM 220 O THR A 13 -7.910 -9.751 3.900 1.00 0.00 O ATOM 221 CB THR A 13 -7.135 -12.637 3.466 1.00 0.00 C ATOM 222 OG1 THR A 13 -6.174 -13.679 3.532 1.00 0.00 O ATOM 223 CG2 THR A 13 -7.972 -12.962 2.225 1.00 0.00 C ATOM 0 H THR A 13 -5.814 -11.499 5.299 1.00 0.00 H new ATOM 0 HA THR A 13 -5.683 -11.556 2.346 1.00 0.00 H new ATOM 0 HB THR A 13 -7.773 -12.522 4.342 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.628 -14.533 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.560 -13.862 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.641 -12.129 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.312 -13.127 1.374 1.00 0.00 H new ATOM 231 N CYS A 14 -7.183 -9.649 1.811 1.00 0.00 N ATOM 232 CA CYS A 14 -8.045 -8.469 1.544 1.00 0.00 C ATOM 233 C CYS A 14 -9.518 -8.857 1.365 1.00 0.00 C ATOM 234 O CYS A 14 -9.819 -9.919 0.858 1.00 0.00 O ATOM 235 CB CYS A 14 -7.533 -7.780 0.296 1.00 0.00 C ATOM 236 SG CYS A 14 -5.821 -7.198 0.342 1.00 0.00 S ATOM 0 H CYS A 14 -6.615 -9.975 1.029 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.997 -7.800 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.637 -8.470 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.178 -6.927 0.088 1.00 0.00 H new ATOM 241 N PRO A 15 -10.401 -7.985 1.785 1.00 0.00 N ATOM 242 CA PRO A 15 -11.864 -8.206 1.688 1.00 0.00 C ATOM 243 C PRO A 15 -12.388 -8.085 0.256 1.00 0.00 C ATOM 244 O PRO A 15 -11.792 -7.438 -0.585 1.00 0.00 O ATOM 245 CB PRO A 15 -12.446 -7.171 2.633 1.00 0.00 C ATOM 246 CG PRO A 15 -11.471 -5.991 2.451 1.00 0.00 C ATOM 247 CD PRO A 15 -10.087 -6.671 2.411 1.00 0.00 C ATOM 0 HA PRO A 15 -12.154 -9.220 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.468 -6.902 2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.470 -7.526 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.674 -5.440 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.545 -5.279 3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.370 -6.100 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.661 -6.786 3.408 1.00 0.00 H new ATOM 255 N LYS A 16 -13.508 -8.725 0.042 1.00 0.00 N ATOM 256 CA LYS A 16 -14.144 -8.702 -1.304 1.00 0.00 C ATOM 257 C LYS A 16 -14.289 -7.255 -1.766 1.00 0.00 C ATOM 258 O LYS A 16 -14.548 -6.366 -0.979 1.00 0.00 O ATOM 259 CB LYS A 16 -15.513 -9.376 -1.205 1.00 0.00 C ATOM 260 CG LYS A 16 -16.133 -9.465 -2.603 1.00 0.00 C ATOM 261 CD LYS A 16 -17.456 -10.230 -2.496 1.00 0.00 C ATOM 262 CE LYS A 16 -18.093 -10.333 -3.886 1.00 0.00 C ATOM 263 NZ LYS A 16 -17.193 -11.078 -4.812 1.00 0.00 N ATOM 0 H LYS A 16 -14.010 -9.265 0.747 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.531 -9.238 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.411 -10.373 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.164 -8.808 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.303 -8.467 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.454 -9.974 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.282 -11.226 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.131 -9.718 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.055 -10.840 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.287 -9.335 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.744 -11.436 -5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.447 -10.442 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.760 -11.877 -4.307 1.00 0.00 H new ATOM 277 N GLY A 17 -14.113 -7.065 -3.043 1.00 0.00 N ATOM 278 CA GLY A 17 -14.222 -5.697 -3.612 1.00 0.00 C ATOM 279 C GLY A 17 -12.791 -5.187 -3.683 1.00 0.00 C ATOM 280 O GLY A 17 -12.314 -4.786 -4.727 1.00 0.00 O ATOM 0 H GLY A 17 -13.898 -7.800 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.684 -5.715 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.839 -5.056 -2.983 1.00 0.00 H new ATOM 284 N LYS A 18 -12.130 -5.215 -2.557 1.00 0.00 N ATOM 285 CA LYS A 18 -10.737 -4.749 -2.525 1.00 0.00 C ATOM 286 C LYS A 18 -9.721 -5.830 -2.843 1.00 0.00 C ATOM 287 O LYS A 18 -8.946 -6.240 -2.003 1.00 0.00 O ATOM 288 CB LYS A 18 -10.570 -4.252 -1.239 1.00 0.00 C ATOM 289 CG LYS A 18 -11.435 -2.996 -1.308 1.00 0.00 C ATOM 290 CD LYS A 18 -11.217 -2.569 -0.003 1.00 0.00 C ATOM 291 CE LYS A 18 -11.893 -1.228 0.287 1.00 0.00 C ATOM 292 NZ LYS A 18 -11.488 -0.745 1.639 1.00 0.00 N ATOM 0 H LYS A 18 -12.504 -5.542 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.561 -4.001 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.915 -4.951 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.528 -4.025 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.095 -2.281 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.483 -3.207 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.593 -3.321 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.145 -2.479 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.612 -0.496 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.976 -1.337 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.949 0.167 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.777 -1.440 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.455 -0.625 1.670 1.00 0.00 H new ATOM 306 N ASN A 19 -9.749 -6.268 -4.068 1.00 0.00 N ATOM 307 CA ASN A 19 -8.796 -7.328 -4.484 1.00 0.00 C ATOM 308 C ASN A 19 -7.453 -6.706 -4.878 1.00 0.00 C ATOM 309 O ASN A 19 -6.695 -7.281 -5.633 1.00 0.00 O ATOM 310 CB ASN A 19 -9.426 -8.067 -5.652 1.00 0.00 C ATOM 311 CG ASN A 19 -10.822 -8.503 -5.200 1.00 0.00 C ATOM 312 OD1 ASN A 19 -11.802 -7.818 -5.419 1.00 0.00 O ATOM 313 ND2 ASN A 19 -10.955 -9.634 -4.564 1.00 0.00 N ATOM 0 H ASN A 19 -10.386 -5.940 -4.794 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.599 -8.022 -3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.488 -7.423 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.823 -8.931 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.877 -9.939 -4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.137 -10.213 -4.377 1.00 0.00 H new ATOM 320 N LEU A 20 -7.199 -5.537 -4.350 1.00 0.00 N ATOM 321 CA LEU A 20 -5.927 -4.827 -4.653 1.00 0.00 C ATOM 322 C LEU A 20 -5.356 -4.271 -3.347 1.00 0.00 C ATOM 323 O LEU A 20 -5.996 -4.351 -2.318 1.00 0.00 O ATOM 324 CB LEU A 20 -6.214 -3.683 -5.637 1.00 0.00 C ATOM 325 CG LEU A 20 -6.681 -4.255 -6.996 1.00 0.00 C ATOM 326 CD1 LEU A 20 -8.218 -4.330 -7.063 1.00 0.00 C ATOM 327 CD2 LEU A 20 -6.169 -3.365 -8.136 1.00 0.00 C ATOM 0 H LEU A 20 -7.826 -5.042 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.205 -5.508 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.981 -3.025 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.317 -3.079 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.276 -5.262 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.521 -4.735 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.586 -4.977 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.637 -3.331 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.500 -3.771 -9.092 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.563 -2.356 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.080 -3.334 -8.113 1.00 0.00 H new ATOM 339 N CYS A 21 -4.168 -3.729 -3.416 1.00 0.00 N ATOM 340 CA CYS A 21 -3.544 -3.166 -2.182 1.00 0.00 C ATOM 341 C CYS A 21 -2.648 -1.972 -2.505 1.00 0.00 C ATOM 342 O CYS A 21 -2.609 -1.521 -3.632 1.00 0.00 O ATOM 343 CB CYS A 21 -2.727 -4.251 -1.512 1.00 0.00 C ATOM 344 SG CYS A 21 -3.616 -5.748 -1.028 1.00 0.00 S ATOM 0 H CYS A 21 -3.607 -3.652 -4.265 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.335 -2.818 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.920 -4.537 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.262 -3.827 -0.622 1.00 0.00 H new ATOM 349 N TYR A 22 -1.951 -1.485 -1.510 1.00 0.00 N ATOM 350 CA TYR A 22 -1.058 -0.319 -1.756 1.00 0.00 C ATOM 351 C TYR A 22 0.026 -0.155 -0.699 1.00 0.00 C ATOM 352 O TYR A 22 0.124 -0.910 0.248 1.00 0.00 O ATOM 353 CB TYR A 22 -1.872 0.948 -1.770 1.00 0.00 C ATOM 354 CG TYR A 22 -2.370 1.156 -0.341 1.00 0.00 C ATOM 355 CD1 TYR A 22 -3.514 0.542 0.092 1.00 0.00 C ATOM 356 CD2 TYR A 22 -1.680 1.956 0.535 1.00 0.00 C ATOM 357 CE1 TYR A 22 -3.971 0.719 1.380 1.00 0.00 C ATOM 358 CE2 TYR A 22 -2.133 2.134 1.824 1.00 0.00 C ATOM 359 CZ TYR A 22 -3.282 1.518 2.258 1.00 0.00 C ATOM 360 OH TYR A 22 -3.731 1.697 3.551 1.00 0.00 O ATOM 0 H TYR A 22 -1.962 -1.839 -0.554 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.575 -0.506 -2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.268 1.794 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.708 0.865 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.067 -0.091 -0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.775 2.450 0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.877 0.226 1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.578 2.766 2.502 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.967 1.854 4.144 1.00 0.00 H new ATOM 370 N LYS A 23 0.794 0.876 -0.931 1.00 0.00 N ATOM 371 CA LYS A 23 1.921 1.241 -0.036 1.00 0.00 C ATOM 372 C LYS A 23 2.187 2.745 -0.165 1.00 0.00 C ATOM 373 O LYS A 23 2.832 3.193 -1.090 1.00 0.00 O ATOM 374 CB LYS A 23 3.122 0.395 -0.467 1.00 0.00 C ATOM 375 CG LYS A 23 4.414 0.852 0.213 1.00 0.00 C ATOM 376 CD LYS A 23 5.454 -0.271 0.084 1.00 0.00 C ATOM 377 CE LYS A 23 5.774 -0.551 -1.389 1.00 0.00 C ATOM 378 NZ LYS A 23 6.715 -1.702 -1.477 1.00 0.00 N ATOM 0 H LYS A 23 0.679 1.498 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 23 1.705 1.043 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.935 -0.651 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.240 0.456 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.784 1.766 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.230 1.079 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.366 0.009 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.077 -1.178 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.858 -0.773 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.216 0.332 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.572 -1.411 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.974 -2.013 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.258 -2.486 -1.984 1.00 0.00 H new ATOM 392 N MET A 24 1.681 3.490 0.782 1.00 0.00 N ATOM 393 CA MET A 24 1.878 4.967 0.747 1.00 0.00 C ATOM 394 C MET A 24 3.216 5.375 1.352 1.00 0.00 C ATOM 395 O MET A 24 3.361 5.473 2.559 1.00 0.00 O ATOM 396 CB MET A 24 0.774 5.680 1.541 1.00 0.00 C ATOM 397 CG MET A 24 -0.592 5.203 1.075 1.00 0.00 C ATOM 398 SD MET A 24 -2.058 5.858 1.914 1.00 0.00 S ATOM 399 CE MET A 24 -2.916 6.608 0.507 1.00 0.00 C ATOM 0 H MET A 24 1.142 3.141 1.575 1.00 0.00 H new ATOM 0 HA MET A 24 1.848 5.257 -0.303 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.894 5.481 2.606 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.857 6.759 1.407 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.683 5.437 0.014 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.614 4.117 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.793 7.691 0.541 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.495 6.224 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.977 6.361 0.554 1.00 0.00 H new ATOM 409 N THR A 25 4.143 5.591 0.453 1.00 0.00 N ATOM 410 CA THR A 25 5.517 6.005 0.843 1.00 0.00 C ATOM 411 C THR A 25 5.527 7.529 0.767 1.00 0.00 C ATOM 412 O THR A 25 4.712 8.082 0.060 1.00 0.00 O ATOM 413 CB THR A 25 6.532 5.437 -0.136 1.00 0.00 C ATOM 414 OG1 THR A 25 6.157 6.001 -1.382 1.00 0.00 O ATOM 415 CG2 THR A 25 6.333 3.938 -0.333 1.00 0.00 C ATOM 0 H THR A 25 3.998 5.495 -0.552 1.00 0.00 H new ATOM 0 HA THR A 25 5.777 5.644 1.838 1.00 0.00 H new ATOM 0 HB THR A 25 7.545 5.639 0.211 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.768 5.686 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.074 3.562 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.450 3.427 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.333 3.752 -0.724 1.00 0.00 H new ATOM 423 N MET A 26 6.419 8.182 1.462 1.00 0.00 N ATOM 424 CA MET A 26 6.429 9.674 1.397 1.00 0.00 C ATOM 425 C MET A 26 7.447 10.285 0.451 1.00 0.00 C ATOM 426 O MET A 26 8.619 9.956 0.495 1.00 0.00 O ATOM 427 CB MET A 26 6.696 10.253 2.774 1.00 0.00 C ATOM 428 CG MET A 26 5.578 9.831 3.714 1.00 0.00 C ATOM 429 SD MET A 26 5.589 10.573 5.364 1.00 0.00 S ATOM 430 CE MET A 26 4.529 11.986 4.971 1.00 0.00 C ATOM 0 H MET A 26 7.128 7.759 2.061 1.00 0.00 H new ATOM 0 HA MET A 26 5.441 9.927 1.011 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.657 9.902 3.150 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.753 11.340 2.721 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.626 10.068 3.240 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.617 8.748 3.827 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.480 12.655 5.831 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.941 12.523 4.116 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.527 11.633 4.729 1.00 0.00 H new ATOM 440 N ARG A 27 6.903 11.161 -0.360 1.00 0.00 N ATOM 441 CA ARG A 27 7.661 11.920 -1.385 1.00 0.00 C ATOM 442 C ARG A 27 8.390 13.072 -0.698 1.00 0.00 C ATOM 443 O ARG A 27 9.363 13.589 -1.210 1.00 0.00 O ATOM 444 CB ARG A 27 6.717 12.517 -2.418 1.00 0.00 C ATOM 445 CG ARG A 27 6.013 11.431 -3.216 1.00 0.00 C ATOM 446 CD ARG A 27 5.009 12.118 -4.155 1.00 0.00 C ATOM 447 NE ARG A 27 4.333 11.084 -4.992 1.00 0.00 N ATOM 448 CZ ARG A 27 3.293 11.389 -5.722 1.00 0.00 C ATOM 449 NH1 ARG A 27 2.834 12.610 -5.726 1.00 0.00 N ATOM 450 NH2 ARG A 27 2.742 10.446 -6.434 1.00 0.00 N ATOM 0 H ARG A 27 5.908 11.386 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 27 8.358 11.242 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.977 13.142 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.276 13.163 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.735 10.848 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.500 10.738 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.271 12.673 -3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.522 12.839 -4.791 1.00 0.00 H new ATOM 0 HE ARG A 27 4.687 10.127 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.287 13.327 -5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.022 12.848 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.124 9.501 -6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.929 10.654 -7.014 1.00 0.00 H new ATOM 464 N ALA A 28 7.882 13.444 0.448 1.00 0.00 N ATOM 465 CA ALA A 28 8.501 14.553 1.220 1.00 0.00 C ATOM 466 C ALA A 28 9.924 14.102 1.513 1.00 0.00 C ATOM 467 O ALA A 28 10.889 14.814 1.319 1.00 0.00 O ATOM 468 CB ALA A 28 7.716 14.752 2.511 1.00 0.00 C ATOM 0 H ALA A 28 7.060 13.023 0.882 1.00 0.00 H new ATOM 0 HA ALA A 28 8.497 15.500 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.161 15.564 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.682 15.001 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.743 13.834 3.098 1.00 0.00 H new ATOM 474 N ALA A 29 9.971 12.888 1.981 1.00 0.00 N ATOM 475 CA ALA A 29 11.252 12.227 2.333 1.00 0.00 C ATOM 476 C ALA A 29 11.498 11.481 1.009 1.00 0.00 C ATOM 477 O ALA A 29 10.747 11.733 0.091 1.00 0.00 O ATOM 478 CB ALA A 29 10.933 11.343 3.537 1.00 0.00 C ATOM 0 H ALA A 29 9.146 12.310 2.138 1.00 0.00 H new ATOM 0 HA ALA A 29 12.121 12.816 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.836 10.821 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.565 11.962 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.170 10.615 3.262 1.00 0.00 H new ATOM 484 N PRO A 30 12.462 10.613 0.848 1.00 0.00 N ATOM 485 CA PRO A 30 12.614 9.948 -0.469 1.00 0.00 C ATOM 486 C PRO A 30 11.354 9.141 -0.801 1.00 0.00 C ATOM 487 O PRO A 30 10.593 9.508 -1.675 1.00 0.00 O ATOM 488 CB PRO A 30 13.892 9.114 -0.310 1.00 0.00 C ATOM 489 CG PRO A 30 13.997 8.872 1.214 1.00 0.00 C ATOM 490 CD PRO A 30 13.473 10.176 1.843 1.00 0.00 C ATOM 0 HA PRO A 30 12.714 10.627 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.826 8.175 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.765 9.645 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.400 8.014 1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.025 8.670 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.032 10.007 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.265 10.914 1.972 1.00 0.00 H new ATOM 498 N MET A 31 11.167 8.069 -0.086 1.00 0.00 N ATOM 499 CA MET A 31 9.985 7.183 -0.291 1.00 0.00 C ATOM 500 C MET A 31 9.811 6.479 1.046 1.00 0.00 C ATOM 501 O MET A 31 9.976 5.280 1.134 1.00 0.00 O ATOM 502 CB MET A 31 10.257 6.128 -1.382 1.00 0.00 C ATOM 503 CG MET A 31 10.455 6.782 -2.753 1.00 0.00 C ATOM 504 SD MET A 31 10.705 5.678 -4.165 1.00 0.00 S ATOM 505 CE MET A 31 12.515 5.673 -4.117 1.00 0.00 C ATOM 0 H MET A 31 11.800 7.761 0.652 1.00 0.00 H new ATOM 0 HA MET A 31 9.109 7.750 -0.608 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.144 5.552 -1.120 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.424 5.427 -1.428 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.584 7.404 -2.960 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.315 7.449 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.898 5.041 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.885 6.690 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 31 12.852 5.285 -3.156 1.00 0.00 H new ATOM 515 N VAL A 32 9.482 7.235 2.056 1.00 0.00 N ATOM 516 CA VAL A 32 9.307 6.587 3.398 1.00 0.00 C ATOM 517 C VAL A 32 7.972 5.831 3.514 1.00 0.00 C ATOM 518 O VAL A 32 6.935 6.459 3.540 1.00 0.00 O ATOM 519 CB VAL A 32 9.389 7.671 4.474 1.00 0.00 C ATOM 520 CG1 VAL A 32 9.095 7.059 5.852 1.00 0.00 C ATOM 521 CG2 VAL A 32 10.828 8.189 4.493 1.00 0.00 C ATOM 0 H VAL A 32 9.329 8.243 2.021 1.00 0.00 H new ATOM 0 HA VAL A 32 10.099 5.850 3.529 1.00 0.00 H new ATOM 0 HB VAL A 32 8.671 8.463 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.155 7.835 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.095 6.626 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.827 6.281 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.925 8.966 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.507 7.369 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.079 8.602 3.516 1.00 0.00 H new ATOM 531 N PRO A 33 8.004 4.521 3.601 1.00 0.00 N ATOM 532 CA PRO A 33 6.768 3.704 3.707 1.00 0.00 C ATOM 533 C PRO A 33 5.992 3.902 5.003 1.00 0.00 C ATOM 534 O PRO A 33 6.286 3.298 6.015 1.00 0.00 O ATOM 535 CB PRO A 33 7.256 2.277 3.516 1.00 0.00 C ATOM 536 CG PRO A 33 8.667 2.322 4.125 1.00 0.00 C ATOM 537 CD PRO A 33 9.224 3.665 3.623 1.00 0.00 C ATOM 0 HA PRO A 33 6.032 4.000 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.616 1.558 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.277 1.993 2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.637 2.280 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.277 1.483 3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.989 4.063 4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.676 3.575 2.635 1.00 0.00 H new ATOM 545 N VAL A 34 5.009 4.755 4.929 1.00 0.00 N ATOM 546 CA VAL A 34 4.182 5.024 6.133 1.00 0.00 C ATOM 547 C VAL A 34 3.016 4.052 6.113 1.00 0.00 C ATOM 548 O VAL A 34 2.953 3.136 6.907 1.00 0.00 O ATOM 549 CB VAL A 34 3.677 6.467 6.087 1.00 0.00 C ATOM 550 CG1 VAL A 34 2.730 6.716 7.269 1.00 0.00 C ATOM 551 CG2 VAL A 34 4.878 7.391 6.251 1.00 0.00 C ATOM 0 H VAL A 34 4.745 5.274 4.091 1.00 0.00 H new ATOM 0 HA VAL A 34 4.761 4.893 7.047 1.00 0.00 H new ATOM 0 HB VAL A 34 3.158 6.648 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.370 7.744 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.883 6.033 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.264 6.548 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.545 8.429 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.362 7.192 7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.586 7.214 5.442 1.00 0.00 H new ATOM 561 N LYS A 35 2.121 4.281 5.196 1.00 0.00 N ATOM 562 CA LYS A 35 0.944 3.386 5.093 1.00 0.00 C ATOM 563 C LYS A 35 1.094 2.279 4.066 1.00 0.00 C ATOM 564 O LYS A 35 1.910 2.371 3.174 1.00 0.00 O ATOM 565 CB LYS A 35 -0.250 4.197 4.730 1.00 0.00 C ATOM 566 CG LYS A 35 -1.265 4.113 5.844 1.00 0.00 C ATOM 567 CD LYS A 35 -2.556 4.574 5.212 1.00 0.00 C ATOM 568 CE LYS A 35 -3.724 4.197 6.127 1.00 0.00 C ATOM 569 NZ LYS A 35 -5.007 4.289 5.372 1.00 0.00 N ATOM 0 H LYS A 35 2.155 5.044 4.519 1.00 0.00 H new ATOM 0 HA LYS A 35 0.840 2.907 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.038 5.235 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.683 3.832 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.351 3.096 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.985 4.748 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.534 5.652 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.681 4.112 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.587 3.185 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.751 4.862 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.797 4.032 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.139 5.262 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.981 3.637 4.562 1.00 0.00 H new ATOM 583 N ARG A 36 0.277 1.275 4.256 1.00 0.00 N ATOM 584 CA ARG A 36 0.237 0.068 3.372 1.00 0.00 C ATOM 585 C ARG A 36 -1.047 -0.687 3.733 1.00 0.00 C ATOM 586 O ARG A 36 -1.330 -0.866 4.901 1.00 0.00 O ATOM 587 CB ARG A 36 1.417 -0.887 3.630 1.00 0.00 C ATOM 588 CG ARG A 36 2.772 -0.216 3.395 1.00 0.00 C ATOM 589 CD ARG A 36 3.816 -1.291 3.414 1.00 0.00 C ATOM 590 NE ARG A 36 5.166 -0.694 3.215 1.00 0.00 N ATOM 591 CZ ARG A 36 6.193 -1.479 3.015 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.022 -2.772 2.991 1.00 0.00 N ATOM 593 NH2 ARG A 36 7.370 -0.944 2.843 1.00 0.00 N ATOM 0 H ARG A 36 -0.395 1.242 5.023 1.00 0.00 H new ATOM 0 HA ARG A 36 0.284 0.389 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.368 -1.252 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.327 -1.756 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.779 0.309 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.972 0.526 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.782 -1.825 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.613 -2.021 2.630 1.00 0.00 H new ATOM 0 HE ARG A 36 5.289 0.318 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.091 -3.166 3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.819 -3.389 2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.478 0.070 2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.183 -1.540 2.686 1.00 0.00 H new ATOM 607 N GLY A 37 -1.810 -1.122 2.764 1.00 0.00 N ATOM 608 CA GLY A 37 -3.056 -1.855 3.150 1.00 0.00 C ATOM 609 C GLY A 37 -3.856 -2.380 1.955 1.00 0.00 C ATOM 610 O GLY A 37 -3.404 -2.325 0.831 1.00 0.00 O ATOM 0 H GLY A 37 -1.638 -1.010 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.789 -2.693 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.690 -1.191 3.737 1.00 0.00 H new ATOM 614 N CYS A 38 -5.033 -2.876 2.241 1.00 0.00 N ATOM 615 CA CYS A 38 -5.912 -3.422 1.160 1.00 0.00 C ATOM 616 C CYS A 38 -6.947 -2.416 0.642 1.00 0.00 C ATOM 617 O CYS A 38 -7.745 -1.889 1.392 1.00 0.00 O ATOM 618 CB CYS A 38 -6.665 -4.636 1.674 1.00 0.00 C ATOM 619 SG CYS A 38 -5.742 -6.142 2.063 1.00 0.00 S ATOM 0 H CYS A 38 -5.426 -2.927 3.181 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.246 -3.674 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.198 -4.335 2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.418 -4.895 0.930 1.00 0.00 H new ATOM 624 N ILE A 39 -6.893 -2.188 -0.642 1.00 0.00 N ATOM 625 CA ILE A 39 -7.830 -1.242 -1.316 1.00 0.00 C ATOM 626 C ILE A 39 -8.365 -1.877 -2.600 1.00 0.00 C ATOM 627 O ILE A 39 -8.360 -3.076 -2.792 1.00 0.00 O ATOM 628 CB ILE A 39 -7.085 0.036 -1.675 1.00 0.00 C ATOM 629 CG1 ILE A 39 -5.909 -0.375 -2.561 1.00 0.00 C ATOM 630 CG2 ILE A 39 -6.626 0.663 -0.427 1.00 0.00 C ATOM 631 CD1 ILE A 39 -5.245 0.863 -3.148 1.00 0.00 C ATOM 0 H ILE A 39 -6.220 -2.630 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.657 -1.016 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.709 0.754 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.185 -0.945 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.257 -1.027 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.088 1.582 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.486 0.894 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.963 -0.022 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.408 0.563 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.970 1.415 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.881 1.498 -2.340 1.00 0.00 H new ATOM 643 N ASP A 40 -8.792 -0.989 -3.446 1.00 0.00 N ATOM 644 CA ASP A 40 -9.359 -1.328 -4.761 1.00 0.00 C ATOM 645 C ASP A 40 -8.421 -0.561 -5.666 1.00 0.00 C ATOM 646 O ASP A 40 -7.722 -1.131 -6.475 1.00 0.00 O ATOM 647 CB ASP A 40 -10.779 -0.801 -4.873 1.00 0.00 C ATOM 648 CG ASP A 40 -11.266 -1.140 -6.277 1.00 0.00 C ATOM 649 OD1 ASP A 40 -11.693 -2.272 -6.435 1.00 0.00 O ATOM 650 OD2 ASP A 40 -11.177 -0.248 -7.106 1.00 0.00 O ATOM 0 H ASP A 40 -8.765 0.014 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.428 -2.394 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.421 -1.258 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.806 0.275 -4.704 1.00 0.00 H new ATOM 655 N VAL A 41 -8.430 0.735 -5.511 1.00 0.00 N ATOM 656 CA VAL A 41 -7.513 1.531 -6.367 1.00 0.00 C ATOM 657 C VAL A 41 -7.025 2.775 -5.628 1.00 0.00 C ATOM 658 O VAL A 41 -7.674 3.312 -4.753 1.00 0.00 O ATOM 659 CB VAL A 41 -8.230 1.923 -7.663 1.00 0.00 C ATOM 660 CG1 VAL A 41 -9.327 2.954 -7.383 1.00 0.00 C ATOM 661 CG2 VAL A 41 -7.159 2.505 -8.601 1.00 0.00 C ATOM 0 H VAL A 41 -9.009 1.259 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.642 0.923 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.716 1.060 -8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.824 3.219 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.056 2.531 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.883 3.847 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.622 2.801 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.700 3.376 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.395 1.751 -8.793 1.00 0.00 H new ATOM 671 N CYS A 42 -5.859 3.176 -6.040 1.00 0.00 N ATOM 672 CA CYS A 42 -5.168 4.361 -5.466 1.00 0.00 C ATOM 673 C CYS A 42 -5.907 5.697 -5.618 1.00 0.00 C ATOM 674 O CYS A 42 -6.403 6.000 -6.685 1.00 0.00 O ATOM 675 CB CYS A 42 -3.832 4.481 -6.143 1.00 0.00 C ATOM 676 SG CYS A 42 -2.403 4.493 -5.047 1.00 0.00 S ATOM 0 H CYS A 42 -5.335 2.711 -6.782 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.102 4.185 -4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.724 3.652 -6.843 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.824 5.399 -6.731 1.00 0.00 H new ATOM 681 N PRO A 43 -5.968 6.466 -4.559 1.00 0.00 N ATOM 682 CA PRO A 43 -6.638 7.784 -4.571 1.00 0.00 C ATOM 683 C PRO A 43 -5.639 8.771 -5.199 1.00 0.00 C ATOM 684 O PRO A 43 -4.640 8.360 -5.757 1.00 0.00 O ATOM 685 CB PRO A 43 -6.947 8.037 -3.110 1.00 0.00 C ATOM 686 CG PRO A 43 -5.705 7.442 -2.418 1.00 0.00 C ATOM 687 CD PRO A 43 -5.409 6.149 -3.216 1.00 0.00 C ATOM 0 HA PRO A 43 -7.558 7.869 -5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.065 9.099 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.866 7.543 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.862 8.132 -2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.899 7.226 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.341 5.935 -3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.890 5.278 -2.771 1.00 0.00 H new ATOM 695 N LYS A 44 -5.909 10.042 -5.101 1.00 0.00 N ATOM 696 CA LYS A 44 -4.962 11.029 -5.700 1.00 0.00 C ATOM 697 C LYS A 44 -3.678 11.176 -4.875 1.00 0.00 C ATOM 698 O LYS A 44 -3.704 11.710 -3.785 1.00 0.00 O ATOM 699 CB LYS A 44 -5.669 12.381 -5.796 1.00 0.00 C ATOM 700 CG LYS A 44 -4.722 13.405 -6.437 1.00 0.00 C ATOM 701 CD LYS A 44 -5.461 14.740 -6.541 1.00 0.00 C ATOM 702 CE LYS A 44 -4.531 15.777 -7.174 1.00 0.00 C ATOM 703 NZ LYS A 44 -5.235 17.086 -7.270 1.00 0.00 N ATOM 0 H LYS A 44 -6.729 10.438 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.670 10.670 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.578 12.287 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.970 12.718 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.819 13.516 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.408 13.066 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.362 14.625 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.778 15.073 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.626 15.882 -6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.221 15.446 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.602 17.790 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.086 16.980 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.509 17.403 -6.318 1.00 0.00 H new ATOM 717 N SER A 45 -2.585 10.700 -5.414 1.00 0.00 N ATOM 718 CA SER A 45 -1.295 10.809 -4.671 1.00 0.00 C ATOM 719 C SER A 45 -0.960 12.273 -4.426 1.00 0.00 C ATOM 720 O SER A 45 -1.085 13.102 -5.306 1.00 0.00 O ATOM 721 CB SER A 45 -0.186 10.156 -5.485 1.00 0.00 C ATOM 722 OG SER A 45 -0.612 8.807 -5.600 1.00 0.00 O ATOM 0 H SER A 45 -2.530 10.246 -6.326 1.00 0.00 H new ATOM 0 HA SER A 45 -1.388 10.302 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.074 10.627 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.778 10.231 -4.983 1.00 0.00 H new ATOM 0 HG SER A 45 0.047 8.299 -6.117 1.00 0.00 H new ATOM 728 N SER A 46 -0.538 12.549 -3.224 1.00 0.00 N ATOM 729 CA SER A 46 -0.189 13.954 -2.882 1.00 0.00 C ATOM 730 C SER A 46 1.261 14.216 -3.250 1.00 0.00 C ATOM 731 O SER A 46 2.061 13.306 -3.266 1.00 0.00 O ATOM 732 CB SER A 46 -0.401 14.158 -1.389 1.00 0.00 C ATOM 733 OG SER A 46 0.399 13.142 -0.808 1.00 0.00 O ATOM 0 H SER A 46 -0.421 11.870 -2.472 1.00 0.00 H new ATOM 0 HA SER A 46 -0.821 14.648 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.086 15.151 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.450 14.052 -1.113 1.00 0.00 H new ATOM 0 HG SER A 46 -0.092 12.720 -0.073 1.00 0.00 H new ATOM 739 N LEU A 47 1.571 15.449 -3.539 1.00 0.00 N ATOM 740 CA LEU A 47 2.977 15.779 -3.908 1.00 0.00 C ATOM 741 C LEU A 47 3.909 15.388 -2.764 1.00 0.00 C ATOM 742 O LEU A 47 5.059 15.059 -2.973 1.00 0.00 O ATOM 743 CB LEU A 47 3.067 17.282 -4.179 1.00 0.00 C ATOM 744 CG LEU A 47 4.520 17.707 -4.483 1.00 0.00 C ATOM 745 CD1 LEU A 47 5.050 16.977 -5.726 1.00 0.00 C ATOM 746 CD2 LEU A 47 4.532 19.210 -4.772 1.00 0.00 C ATOM 0 H LEU A 47 0.921 16.235 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 47 3.275 15.229 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.425 17.542 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.697 17.833 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 47 5.148 17.460 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.075 17.291 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.027 15.901 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.425 17.220 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.551 19.531 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.894 19.421 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.159 19.751 -3.902 1.00 0.00 H new ATOM 758 N LEU A 48 3.374 15.438 -1.576 1.00 0.00 N ATOM 759 CA LEU A 48 4.184 15.079 -0.381 1.00 0.00 C ATOM 760 C LEU A 48 4.157 13.572 -0.106 1.00 0.00 C ATOM 761 O LEU A 48 5.035 13.068 0.564 1.00 0.00 O ATOM 762 CB LEU A 48 3.638 15.830 0.842 1.00 0.00 C ATOM 763 CG LEU A 48 4.010 17.341 0.872 1.00 0.00 C ATOM 764 CD1 LEU A 48 5.524 17.506 1.069 1.00 0.00 C ATOM 765 CD2 LEU A 48 3.612 18.063 -0.424 1.00 0.00 C ATOM 0 H LEU A 48 2.411 15.712 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 48 5.218 15.364 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.553 15.733 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.017 15.355 1.747 1.00 0.00 H new ATOM 0 HG LEU A 48 3.459 17.785 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.775 18.567 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.821 17.045 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.053 17.023 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.892 19.114 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.127 17.605 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.535 17.983 -0.569 1.00 0.00 H new ATOM 777 N ILE A 49 3.166 12.882 -0.614 1.00 0.00 N ATOM 778 CA ILE A 49 3.109 11.407 -0.368 1.00 0.00 C ATOM 779 C ILE A 49 2.674 10.630 -1.614 1.00 0.00 C ATOM 780 O ILE A 49 1.685 10.923 -2.261 1.00 0.00 O ATOM 781 CB ILE A 49 2.112 11.044 0.757 1.00 0.00 C ATOM 782 CG1 ILE A 49 2.386 11.830 2.053 1.00 0.00 C ATOM 783 CG2 ILE A 49 2.335 9.565 1.083 1.00 0.00 C ATOM 784 CD1 ILE A 49 1.611 13.151 2.046 1.00 0.00 C ATOM 0 H ILE A 49 2.408 13.266 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 49 4.124 11.129 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 49 1.103 11.274 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.094 11.233 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.454 12.027 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.651 9.260 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.150 8.964 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.363 9.416 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.814 13.697 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.924 13.752 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.543 12.946 1.973 1.00 0.00 H new ATOM 796 N LYS A 50 3.474 9.632 -1.872 1.00 0.00 N ATOM 797 CA LYS A 50 3.275 8.720 -3.037 1.00 0.00 C ATOM 798 C LYS A 50 2.471 7.493 -2.646 1.00 0.00 C ATOM 799 O LYS A 50 2.829 6.807 -1.712 1.00 0.00 O ATOM 800 CB LYS A 50 4.616 8.226 -3.567 1.00 0.00 C ATOM 801 CG LYS A 50 4.357 7.322 -4.778 1.00 0.00 C ATOM 802 CD LYS A 50 5.695 6.842 -5.331 1.00 0.00 C ATOM 803 CE LYS A 50 5.411 5.905 -6.508 1.00 0.00 C ATOM 804 NZ LYS A 50 6.693 5.424 -7.093 1.00 0.00 N ATOM 0 H LYS A 50 4.288 9.403 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 50 2.743 9.293 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.245 9.070 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.151 7.677 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.742 6.470 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.806 7.867 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.299 7.689 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.262 6.323 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.813 5.057 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.828 6.427 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.493 4.788 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.248 6.237 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.234 4.910 -6.369 1.00 0.00 H new ATOM 818 N TYR A 51 1.415 7.243 -3.367 1.00 0.00 N ATOM 819 CA TYR A 51 0.580 6.052 -3.048 1.00 0.00 C ATOM 820 C TYR A 51 0.965 4.973 -4.068 1.00 0.00 C ATOM 821 O TYR A 51 0.598 5.045 -5.224 1.00 0.00 O ATOM 822 CB TYR A 51 -0.891 6.433 -3.178 1.00 0.00 C ATOM 823 CG TYR A 51 -1.225 7.647 -2.296 1.00 0.00 C ATOM 824 CD1 TYR A 51 -0.446 8.032 -1.218 1.00 0.00 C ATOM 825 CD2 TYR A 51 -2.350 8.383 -2.593 1.00 0.00 C ATOM 826 CE1 TYR A 51 -0.793 9.132 -0.462 1.00 0.00 C ATOM 827 CE2 TYR A 51 -2.695 9.483 -1.833 1.00 0.00 C ATOM 828 CZ TYR A 51 -1.918 9.864 -0.764 1.00 0.00 C ATOM 829 OH TYR A 51 -2.260 10.967 -0.008 1.00 0.00 O ATOM 0 H TYR A 51 1.096 7.805 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 51 0.741 5.688 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.121 6.661 -4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.516 5.587 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.440 7.467 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.970 8.097 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.175 9.422 0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.581 10.048 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.082 11.365 -0.363 1.00 0.00 H new ATOM 839 N MET A 52 1.701 3.998 -3.606 1.00 0.00 N ATOM 840 CA MET A 52 2.141 2.893 -4.511 1.00 0.00 C ATOM 841 C MET A 52 1.127 1.749 -4.494 1.00 0.00 C ATOM 842 O MET A 52 1.250 0.805 -3.740 1.00 0.00 O ATOM 843 CB MET A 52 3.511 2.392 -4.037 1.00 0.00 C ATOM 844 CG MET A 52 4.108 1.458 -5.090 1.00 0.00 C ATOM 845 SD MET A 52 5.764 0.809 -4.753 1.00 0.00 S ATOM 846 CE MET A 52 6.691 2.223 -5.399 1.00 0.00 C ATOM 0 H MET A 52 2.018 3.918 -2.640 1.00 0.00 H new ATOM 0 HA MET A 52 2.212 3.264 -5.534 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.179 3.236 -3.865 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.409 1.867 -3.087 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.431 0.614 -5.219 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.138 1.991 -6.040 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.760 2.037 -5.291 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.452 2.364 -6.453 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.421 3.120 -4.842 1.00 0.00 H new ATOM 856 N CYS A 53 0.147 1.880 -5.345 1.00 0.00 N ATOM 857 CA CYS A 53 -0.920 0.844 -5.442 1.00 0.00 C ATOM 858 C CYS A 53 -0.654 -0.188 -6.534 1.00 0.00 C ATOM 859 O CYS A 53 0.012 0.078 -7.514 1.00 0.00 O ATOM 860 CB CYS A 53 -2.225 1.583 -5.684 1.00 0.00 C ATOM 861 SG CYS A 53 -2.723 2.645 -4.309 1.00 0.00 S ATOM 0 H CYS A 53 0.039 2.668 -5.983 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.956 0.267 -4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.127 2.190 -6.584 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.014 0.856 -5.875 1.00 0.00 H new ATOM 866 N CYS A 54 -1.199 -1.353 -6.313 1.00 0.00 N ATOM 867 CA CYS A 54 -1.033 -2.468 -7.289 1.00 0.00 C ATOM 868 C CYS A 54 -2.210 -3.408 -7.074 1.00 0.00 C ATOM 869 O CYS A 54 -3.083 -3.132 -6.277 1.00 0.00 O ATOM 870 CB CYS A 54 0.220 -3.287 -7.027 1.00 0.00 C ATOM 871 SG CYS A 54 0.026 -4.599 -5.792 1.00 0.00 S ATOM 0 H CYS A 54 -1.757 -1.582 -5.491 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.971 -2.045 -8.291 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.546 -3.736 -7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.015 -2.616 -6.701 1.00 0.00 H new ATOM 876 N ASN A 55 -2.189 -4.495 -7.794 1.00 0.00 N ATOM 877 CA ASN A 55 -3.281 -5.498 -7.672 1.00 0.00 C ATOM 878 C ASN A 55 -2.673 -6.778 -7.113 1.00 0.00 C ATOM 879 O ASN A 55 -3.368 -7.614 -6.570 1.00 0.00 O ATOM 880 CB ASN A 55 -3.882 -5.798 -9.037 1.00 0.00 C ATOM 881 CG ASN A 55 -2.835 -6.524 -9.885 1.00 0.00 C ATOM 882 OD1 ASN A 55 -3.027 -7.653 -10.290 1.00 0.00 O ATOM 883 ND2 ASN A 55 -1.716 -5.919 -10.176 1.00 0.00 N ATOM 0 H ASN A 55 -1.458 -4.732 -8.465 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.066 -5.112 -7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.775 -6.414 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.190 -4.874 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.011 -6.394 -10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.546 -4.971 -9.840 1.00 0.00 H new ATOM 890 N THR A 56 -1.378 -6.893 -7.261 1.00 0.00 N ATOM 891 CA THR A 56 -0.701 -8.109 -6.751 1.00 0.00 C ATOM 892 C THR A 56 -0.198 -8.144 -5.332 1.00 0.00 C ATOM 893 O THR A 56 0.412 -7.250 -4.771 1.00 0.00 O ATOM 894 CB THR A 56 0.458 -8.428 -7.645 1.00 0.00 C ATOM 895 OG1 THR A 56 0.881 -7.184 -8.181 1.00 0.00 O ATOM 896 CG2 THR A 56 -0.121 -9.241 -8.754 1.00 0.00 C ATOM 0 H THR A 56 -0.772 -6.204 -7.707 1.00 0.00 H new ATOM 0 HA THR A 56 -1.512 -8.837 -6.753 1.00 0.00 H new ATOM 0 HB THR A 56 1.278 -8.945 -7.147 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.645 -7.328 -8.778 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.668 -9.515 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.574 -10.144 -8.345 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.881 -8.658 -9.274 1.00 0.00 H new ATOM 904 N ASP A 57 -0.506 -9.299 -4.826 1.00 0.00 N ATOM 905 CA ASP A 57 -0.137 -9.607 -3.427 1.00 0.00 C ATOM 906 C ASP A 57 1.341 -9.341 -3.294 1.00 0.00 C ATOM 907 O ASP A 57 2.077 -9.396 -4.258 1.00 0.00 O ATOM 908 CB ASP A 57 -0.398 -11.070 -3.106 1.00 0.00 C ATOM 909 CG ASP A 57 -1.765 -11.474 -3.650 1.00 0.00 C ATOM 910 OD1 ASP A 57 -2.603 -10.590 -3.688 1.00 0.00 O ATOM 911 OD2 ASP A 57 -1.895 -12.636 -3.991 1.00 0.00 O ATOM 0 H ASP A 57 -0.998 -10.042 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.728 -8.997 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.379 -11.694 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.362 -11.229 -2.028 1.00 0.00 H new ATOM 916 N LYS A 58 1.687 -9.068 -2.072 1.00 0.00 N ATOM 917 CA LYS A 58 3.093 -8.763 -1.666 1.00 0.00 C ATOM 918 C LYS A 58 3.740 -7.481 -2.154 1.00 0.00 C ATOM 919 O LYS A 58 4.658 -6.969 -1.544 1.00 0.00 O ATOM 920 CB LYS A 58 3.955 -9.870 -2.112 1.00 0.00 C ATOM 921 CG LYS A 58 3.347 -11.175 -1.576 1.00 0.00 C ATOM 922 CD LYS A 58 4.178 -12.361 -2.064 1.00 0.00 C ATOM 923 CE LYS A 58 3.516 -13.654 -1.576 1.00 0.00 C ATOM 924 NZ LYS A 58 3.445 -13.667 -0.088 1.00 0.00 N ATOM 0 H LYS A 58 1.023 -9.042 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 58 3.007 -8.630 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.016 -9.894 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.971 -9.739 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.323 -11.157 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.316 -11.275 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.242 -12.356 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.197 -12.291 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.514 -13.739 -1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.083 -14.516 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.089 -14.589 0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.394 -13.505 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.803 -12.915 0.236 1.00 0.00 H new ATOM 938 N CYS A 59 3.232 -7.021 -3.247 1.00 0.00 N ATOM 939 CA CYS A 59 3.776 -5.760 -3.858 1.00 0.00 C ATOM 940 C CYS A 59 4.020 -4.629 -2.849 1.00 0.00 C ATOM 941 O CYS A 59 4.921 -3.831 -3.025 1.00 0.00 O ATOM 942 CB CYS A 59 2.832 -5.185 -4.913 1.00 0.00 C ATOM 943 SG CYS A 59 1.390 -4.247 -4.348 1.00 0.00 S ATOM 0 H CYS A 59 2.462 -7.453 -3.757 1.00 0.00 H new ATOM 0 HA CYS A 59 4.725 -6.077 -4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.417 -4.536 -5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.473 -6.012 -5.525 1.00 0.00 H new ATOM 948 N ASN A 60 3.222 -4.582 -1.818 1.00 0.00 N ATOM 949 CA ASN A 60 3.401 -3.508 -0.801 1.00 0.00 C ATOM 950 C ASN A 60 4.286 -3.995 0.350 1.00 0.00 C ATOM 951 O ASN A 60 3.795 -4.039 1.465 1.00 0.00 O ATOM 952 CB ASN A 60 2.004 -3.088 -0.296 1.00 0.00 C ATOM 953 CG ASN A 60 1.178 -4.271 0.208 1.00 0.00 C ATOM 954 OD1 ASN A 60 1.543 -5.420 0.068 1.00 0.00 O ATOM 955 ND2 ASN A 60 0.046 -4.019 0.808 1.00 0.00 N ATOM 956 OXT ASN A 60 5.424 -4.304 0.045 1.00 0.00 O ATOM 0 H ASN A 60 2.460 -5.235 -1.636 1.00 0.00 H new ATOM 0 HA ASN A 60 3.902 -2.648 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.116 -2.360 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.465 -2.591 -1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.528 -4.786 1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.264 -3.055 0.928 1.00 0.00 H new TER 963 ASN A 60 CONECT 49 344 CONECT 236 619 CONECT 344 49 CONECT 619 236 CONECT 676 861 CONECT 861 676 CONECT 871 943 CONECT 943 871 END