USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) HEADER TOXIN 05-JUN-02 1LXH TITLE SOLUTION STRUCTURE OF ALPHA-COBRATOXIN COMPLEXED WITH A TITLE 2 COGNATE PEPTIDE (MINIMIZED AVERAGE STRUCTURE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: LONG NEUROTOXIN 1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: NEUROTOXIN 3, ALPHA-COBRATOXIN; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: ACETYLCHOLINE RECEPTOR PROTEIN, ALPHA CHAIN; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NAJA KAOUTHIA; SOURCE 3 ORGANISM_COMMON: MONOCLED COBRA; SOURCE 4 ORGANISM_TAXID: 8649; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; SOURCE 7 ORGANISM_COMMON: PACIFIC ELECTRIC RAY; SOURCE 8 ORGANISM_TAXID: 7787; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 0 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 1 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 2 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 3 EXPRESSION_SYSTEM_PLASMID: PET-31B(+) KEYWDS TOXIN,ALPHA-COBRATOXIN, NICOTINIC ACETYLCHOLINE RECEPTOR, KEYWDS 2 PROTEIN-PROTEIN INTERACTION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.ZENG,E.HAWROT REVDAT 2 24-FEB-09 1LXH 1 VERSN REVDAT 1 20-NOV-02 1LXH 0 JRNL AUTH H.ZENG,E.HAWROT JRNL TITL NMR-BASED BINDING SCREEN AND STRUCTURAL ANALYSIS JRNL TITL 2 OF THE COMPLEX FORMED BETWEEN ALPHA-COBRATOXIN AND JRNL TITL 3 AN 18-MER COGNATE PEPTIDE DERIVED FROM THE ALPHA1 JRNL TITL 4 SUBUNIT OF THE NICOTINIC ACETYLCHOLINE RECEPTOR JRNL TITL 5 FROM TORPEDO CALIFORNICA JRNL REF J.BIOL.CHEM. V. 277 37439 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 12133834 JRNL DOI 10.1074/JBC.M205483200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER, A.T. ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LXH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUN-02. REMARK 100 THE RCSB ID CODE IS RCSB016379. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 4.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.6 MM ALPHA-COBRATOXIN/ REMARK 210 ALPHA18-MER COMPLEX, ALPHA18- REMARK 210 MER IS U-15N, 50 MM REMARK 210 PERDEUTERATED POTASSIUM REMARK 210 ACETATE BUFFER (PH 4.0) WITH REMARK 210 5% D2O AND 0.05% SODIUM AZIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HSQC, 3D TOCSY-HSQC, 3D NOESY REMARK 210 -HSQC, HNHA, 2D TOCSY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 3.0, NMRPIPE 1.8, REMARK 210 SPARKY 3.95 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING 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 : 1 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 HSL B 199 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 ARG B 182 CB - CA - C ANGL. DEV. = 14.2 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 ARG A 2 62.66 -3.44 REMARK 500 PHE A 4 -159.61 98.60 REMARK 500 PRO A 7 -154.33 -72.42 REMARK 500 ILE A 9 -126.57 110.06 REMARK 500 THR A 10 -50.34 -159.14 REMARK 500 SER A 11 -74.64 -39.78 REMARK 500 CYS A 14 122.22 -36.13 REMARK 500 HIS A 18 -45.31 -156.09 REMARK 500 THR A 22 67.75 -46.84 REMARK 500 ASP A 27 -65.64 69.85 REMARK 500 ALA A 28 -45.67 -164.40 REMARK 500 CYS A 30 77.18 85.27 REMARK 500 ARG A 33 -64.75 12.46 REMARK 500 LYS A 35 146.40 -35.35 REMARK 500 VAL A 37 -178.83 59.16 REMARK 500 ASP A 38 127.00 -13.86 REMARK 500 LEU A 39 -54.03 -139.44 REMARK 500 CYS A 41 81.99 95.66 REMARK 500 ALA A 42 -167.35 -168.58 REMARK 500 THR A 44 -179.03 56.59 REMARK 500 THR A 47 -66.76 -144.42 REMARK 500 LYS A 49 -153.43 -179.48 REMARK 500 THR A 50 -141.10 54.09 REMARK 500 GLN A 55 53.52 -96.50 REMARK 500 SER A 58 43.16 -97.32 REMARK 500 ASN A 61 52.99 -109.17 REMARK 500 ASN A 63 82.38 162.88 REMARK 500 PHE A 65 125.34 85.21 REMARK 500 PRO A 66 36.38 -67.44 REMARK 500 ARG A 68 -103.73 -116.39 REMARK 500 ARG A 70 -55.33 -151.31 REMARK 500 ARG B 182 -111.48 68.17 REMARK 500 TRP B 184 -126.26 -76.17 REMARK 500 VAL B 188 -69.79 -154.90 REMARK 500 TYR B 189 111.14 35.58 REMARK 500 TYR B 190 9.15 108.59 REMARK 500 THR B 191 146.49 74.51 REMARK 500 CYS B 192 -41.40 168.69 REMARK 500 CYS B 193 -153.81 -151.81 REMARK 500 PRO B 194 -153.67 -61.54 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 B 182 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LXG RELATED DB: PDB REMARK 900 1LXG IS THE STRUCTURE ENSEMBLE DBREF 1LXH A 1 71 UNP P01391 NXL1_NAJKA 1 71 DBREF 1LXH B 181 198 UNP P02710 ACHA_TORCA 205 222 SEQADV 1LXH HSL B 199 UNP P02710 CLONING ARTIFACT SEQRES 1 A 71 ILE ARG CYS PHE ILE THR PRO ASP ILE THR SER LYS ASP SEQRES 2 A 71 CYS PRO ASN GLY HIS VAL CYS TYR THR LYS THR TRP CYS SEQRES 3 A 71 ASP ALA PHE CYS SER ILE ARG GLY LYS ARG VAL ASP LEU SEQRES 4 A 71 GLY CYS ALA ALA THR CYS PRO THR VAL LYS THR GLY VAL SEQRES 5 A 71 ASP ILE GLN CYS CYS SER THR ASP ASN CYS ASN PRO PHE SEQRES 6 A 71 PRO THR ARG LYS ARG PRO SEQRES 1 B 19 TYR ARG GLY TRP LYS HIS TRP VAL TYR TYR THR CYS CYS SEQRES 2 B 19 PRO ASP THR PRO TYR HSL SHEET 1 A 2 CYS A 20 TRP A 25 0 SHEET 2 A 2 VAL A 52 CYS A 57 -1 O ASP A 53 N THR A 24 SSBOND *** CYS A 3 CYS A 20 1555 1555 2.04 SSBOND *** CYS A 14 CYS A 41 1555 1555 2.02 SSBOND *** CYS A 26 CYS A 30 1555 1555 2.04 SSBOND *** CYS A 45 CYS A 56 1555 1555 2.03 SSBOND *** CYS A 57 CYS A 62 1555 1555 2.03 SSBOND *** CYS B 192 CYS B 193 1555 1555 2.06 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 Single : A 1 ILE N :NH3+ -167:sc= 0 (180deg=-0.0858) USER MOD Single : A 6 THR OG1 : rot -130:sc= -0.0103 USER MOD Single : A 10 THR OG1 : rot -137:sc= 0.455 USER MOD Single : A 11 SER OG : rot 149:sc= 0.0591 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0222) USER MOD Single : A 16 ASN : amide:sc= -0.115 K(o=-0.11,f=-2!) USER MOD Single : A 18 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.011) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 22 THR OG1 : rot 116:sc= 1.26 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -3.97! USER MOD Single : A 31 SER OG : rot -44:sc= 0.281 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 13:sc= 0.272 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.704 (180deg=-1.92!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 55 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.2!) USER MOD Single : A 58 SER OG : rot 180:sc= -2.49! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.142! C(o=0.14!,f=-4.3!) USER MOD Single : A 63 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS : no HD1:sc= 0.675 K(o=0.67,f=-3.4!) USER MOD Single : B 189 TYR OH : rot 110:sc= 0 USER MOD Single : B 190 TYR OH : rot -158:sc= 0.284 USER MOD Single : B 191 THR OG1 : rot 110:sc= -1.78 USER MOD Single : B 196 THR OG1 : rot -93:sc= -2.81! USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.655 9.427 7.083 1.00 0.00 N ATOM 2 CA ILE A 1 4.394 10.626 6.243 1.00 0.00 C ATOM 3 C ILE A 1 4.257 10.217 4.777 1.00 0.00 C ATOM 4 O ILE A 1 5.223 9.751 4.174 1.00 0.00 O ATOM 5 CB ILE A 1 5.527 11.668 6.423 1.00 0.00 C ATOM 6 CG1 ILE A 1 5.567 12.141 7.886 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.361 12.849 5.482 1.00 0.00 C ATOM 8 CD1 ILE A 1 6.184 13.512 8.094 1.00 0.00 C ATOM 0 H1 ILE A 1 4.529 9.672 8.086 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.989 8.671 6.825 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.629 9.099 6.927 1.00 0.00 H new ATOM 0 HA ILE A 1 3.459 11.086 6.562 1.00 0.00 H new ATOM 0 HB ILE A 1 6.473 11.189 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 1 4.550 12.152 8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.127 11.413 8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 1 6.175 13.557 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.380 12.498 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 1 4.409 13.341 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 1 6.169 13.761 9.155 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.214 13.505 7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 1 5.613 14.256 7.539 1.00 0.00 H new ATOM 22 N ARG A 2 3.037 10.374 4.250 1.00 0.00 N ATOM 23 CA ARG A 2 2.661 10.025 2.864 1.00 0.00 C ATOM 24 C ARG A 2 3.825 9.516 1.979 1.00 0.00 C ATOM 25 O ARG A 2 4.136 10.116 0.946 1.00 0.00 O ATOM 26 CB ARG A 2 1.962 11.229 2.175 1.00 0.00 C ATOM 27 CG ARG A 2 2.108 12.583 2.886 1.00 0.00 C ATOM 28 CD ARG A 2 0.755 13.171 3.317 1.00 0.00 C ATOM 29 NE ARG A 2 0.722 14.629 3.146 1.00 0.00 N ATOM 30 CZ ARG A 2 1.423 15.465 3.885 1.00 0.00 C ATOM 31 NH1 ARG A 2 2.027 15.021 4.966 1.00 0.00 N ATOM 32 NH2 ARG A 2 1.457 16.744 3.584 1.00 0.00 N ATOM 0 H ARG A 2 2.259 10.757 4.786 1.00 0.00 H new ATOM 0 HA ARG A 2 1.975 9.183 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.359 11.326 1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.900 11.003 2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.744 12.462 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.611 13.286 2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.044 12.717 2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.565 12.922 4.361 1.00 0.00 H new ATOM 0 HE ARG A 2 0.124 15.016 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.950 14.038 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.572 15.660 5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.940 17.092 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.000 17.389 4.158 1.00 0.00 H new ATOM 46 N CYS A 3 4.440 8.381 2.340 1.00 0.00 N ATOM 47 CA CYS A 3 5.505 7.816 1.498 1.00 0.00 C ATOM 48 C CYS A 3 4.855 6.857 0.518 1.00 0.00 C ATOM 49 O CYS A 3 4.678 5.676 0.814 1.00 0.00 O ATOM 50 CB CYS A 3 6.601 7.097 2.287 1.00 0.00 C ATOM 51 SG CYS A 3 8.294 7.638 1.860 1.00 0.00 S ATOM 0 H CYS A 3 4.227 7.849 3.184 1.00 0.00 H new ATOM 0 HA CYS A 3 6.006 8.640 0.990 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.435 7.260 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.517 6.024 2.112 1.00 0.00 H new ATOM 56 N PHE A 4 4.443 7.431 -0.609 1.00 0.00 N ATOM 57 CA PHE A 4 3.716 6.750 -1.690 1.00 0.00 C ATOM 58 C PHE A 4 2.236 7.061 -1.510 1.00 0.00 C ATOM 59 O PHE A 4 1.897 8.049 -0.853 1.00 0.00 O ATOM 60 CB PHE A 4 3.978 5.221 -1.770 1.00 0.00 C ATOM 61 CG PHE A 4 4.664 4.772 -3.049 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.360 5.674 -3.812 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.659 3.457 -3.448 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.044 5.294 -4.949 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.354 3.058 -4.580 1.00 0.00 C ATOM 66 CZ PHE A 4 6.050 3.979 -5.327 1.00 0.00 C ATOM 0 H PHE A 4 4.609 8.418 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 4 4.083 7.127 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.591 4.924 -0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.027 4.696 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.373 6.712 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.108 2.727 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.572 6.030 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.348 2.019 -4.876 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.597 3.667 -6.205 1.00 0.00 H new ATOM 76 N ILE A 5 1.355 6.265 -2.080 1.00 0.00 N ATOM 77 CA ILE A 5 -0.070 6.547 -1.933 1.00 0.00 C ATOM 78 C ILE A 5 -0.585 6.190 -0.546 1.00 0.00 C ATOM 79 O ILE A 5 -1.012 7.065 0.204 1.00 0.00 O ATOM 80 CB ILE A 5 -0.961 5.854 -2.989 1.00 0.00 C ATOM 81 CG1 ILE A 5 -0.275 4.650 -3.634 1.00 0.00 C ATOM 82 CG2 ILE A 5 -1.361 6.862 -4.052 1.00 0.00 C ATOM 83 CD1 ILE A 5 0.653 5.023 -4.768 1.00 0.00 C ATOM 0 H ILE A 5 1.583 5.440 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.145 7.623 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.847 5.477 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.291 4.113 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.036 3.965 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.989 6.375 -4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.914 7.679 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.467 7.257 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.106 4.121 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.088 5.533 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.436 5.684 -4.395 1.00 0.00 H new ATOM 95 N THR A 6 -0.563 4.904 -0.209 1.00 0.00 N ATOM 96 CA THR A 6 -1.064 4.457 1.095 1.00 0.00 C ATOM 97 C THR A 6 -0.656 3.031 1.424 1.00 0.00 C ATOM 98 O THR A 6 -0.745 2.155 0.567 1.00 0.00 O ATOM 99 CB THR A 6 -2.600 4.504 1.128 1.00 0.00 C ATOM 100 OG1 THR A 6 -3.153 4.589 -0.181 1.00 0.00 O ATOM 101 CG2 THR A 6 -3.158 5.651 1.929 1.00 0.00 C ATOM 0 H THR A 6 -0.209 4.159 -0.809 1.00 0.00 H new ATOM 0 HA THR A 6 -0.626 5.135 1.827 1.00 0.00 H new ATOM 0 HB THR A 6 -2.884 3.569 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.806 5.319 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.247 5.616 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.815 5.575 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.816 6.594 1.502 1.00 0.00 H new ATOM 109 N PRO A 7 -0.282 2.758 2.697 1.00 0.00 N ATOM 110 CA PRO A 7 0.034 1.401 3.118 1.00 0.00 C ATOM 111 C PRO A 7 -1.267 0.601 3.200 1.00 0.00 C ATOM 112 O PRO A 7 -2.241 0.948 2.510 1.00 0.00 O ATOM 113 CB PRO A 7 0.689 1.602 4.484 1.00 0.00 C ATOM 114 CG PRO A 7 0.067 2.844 5.017 1.00 0.00 C ATOM 115 CD PRO A 7 -0.224 3.721 3.823 1.00 0.00 C ATOM 0 HA PRO A 7 0.688 0.848 2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.505 0.752 5.141 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.770 1.707 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.848 2.616 5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.738 3.346 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.164 4.260 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.555 4.468 3.673 1.00 0.00 H new ATOM 123 N ASP A 8 -1.325 -0.443 4.017 1.00 0.00 N ATOM 124 CA ASP A 8 -2.568 -1.213 4.118 1.00 0.00 C ATOM 125 C ASP A 8 -3.792 -0.268 4.201 1.00 0.00 C ATOM 126 O ASP A 8 -3.900 0.509 5.148 1.00 0.00 O ATOM 127 CB ASP A 8 -2.563 -2.147 5.345 1.00 0.00 C ATOM 128 CG ASP A 8 -1.607 -3.318 5.225 1.00 0.00 C ATOM 129 OD1 ASP A 8 -1.830 -4.185 4.352 1.00 0.00 O ATOM 130 OD2 ASP A 8 -0.646 -3.380 6.017 1.00 0.00 O ATOM 0 H ASP A 8 -0.557 -0.772 4.603 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.638 -1.824 3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.301 -1.566 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.572 -2.529 5.502 1.00 0.00 H new ATOM 135 N ILE A 9 -4.708 -0.385 3.211 1.00 0.00 N ATOM 136 CA ILE A 9 -5.982 0.395 3.141 1.00 0.00 C ATOM 137 C ILE A 9 -6.079 1.491 2.008 1.00 0.00 C ATOM 138 O ILE A 9 -5.916 1.157 0.833 1.00 0.00 O ATOM 139 CB ILE A 9 -6.386 0.903 4.555 1.00 0.00 C ATOM 140 CG1 ILE A 9 -6.564 -0.322 5.455 1.00 0.00 C ATOM 141 CG2 ILE A 9 -7.674 1.711 4.560 1.00 0.00 C ATOM 142 CD1 ILE A 9 -6.034 -0.147 6.856 1.00 0.00 C ATOM 0 H ILE A 9 -4.589 -1.027 2.428 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.737 -0.314 2.802 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.599 1.569 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.625 -0.567 5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.063 -1.173 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.897 2.034 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.558 2.585 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.492 1.094 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.201 -1.062 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.966 0.066 6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.552 0.681 7.340 1.00 0.00 H new ATOM 154 N THR A 10 -6.408 2.768 2.347 1.00 0.00 N ATOM 155 CA THR A 10 -6.601 3.874 1.355 1.00 0.00 C ATOM 156 C THR A 10 -6.451 5.262 2.023 1.00 0.00 C ATOM 157 O THR A 10 -5.791 6.159 1.508 1.00 0.00 O ATOM 158 CB THR A 10 -8.035 3.846 0.729 1.00 0.00 C ATOM 159 OG1 THR A 10 -8.992 4.413 1.611 1.00 0.00 O ATOM 160 CG2 THR A 10 -8.564 2.480 0.351 1.00 0.00 C ATOM 0 H THR A 10 -6.548 3.064 3.313 1.00 0.00 H new ATOM 0 HA THR A 10 -5.840 3.719 0.590 1.00 0.00 H new ATOM 0 HB THR A 10 -7.907 4.423 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.802 3.862 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.563 2.581 -0.072 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.902 2.025 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.608 1.849 1.238 1.00 0.00 H new ATOM 168 N SER A 11 -7.180 5.405 3.124 1.00 0.00 N ATOM 169 CA SER A 11 -7.321 6.636 3.931 1.00 0.00 C ATOM 170 C SER A 11 -6.098 7.547 4.189 1.00 0.00 C ATOM 171 O SER A 11 -6.081 8.684 3.725 1.00 0.00 O ATOM 172 CB SER A 11 -7.909 6.268 5.289 1.00 0.00 C ATOM 173 OG SER A 11 -8.537 7.400 5.870 1.00 0.00 O ATOM 0 H SER A 11 -7.722 4.631 3.508 1.00 0.00 H new ATOM 0 HA SER A 11 -7.952 7.247 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.632 5.460 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.122 5.901 5.948 1.00 0.00 H new ATOM 0 HG SER A 11 -9.285 7.107 6.431 1.00 0.00 H new ATOM 179 N LYS A 12 -5.182 7.127 5.072 1.00 0.00 N ATOM 180 CA LYS A 12 -4.094 8.034 5.521 1.00 0.00 C ATOM 181 C LYS A 12 -2.658 7.644 5.206 1.00 0.00 C ATOM 182 O LYS A 12 -2.367 6.670 4.513 1.00 0.00 O ATOM 183 CB LYS A 12 -4.153 8.160 7.040 1.00 0.00 C ATOM 184 CG LYS A 12 -5.436 7.658 7.649 1.00 0.00 C ATOM 185 CD LYS A 12 -5.385 7.717 9.157 1.00 0.00 C ATOM 186 CE LYS A 12 -6.727 7.335 9.735 1.00 0.00 C ATOM 187 NZ LYS A 12 -6.969 5.865 9.609 1.00 0.00 N ATOM 0 H LYS A 12 -5.162 6.195 5.485 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.295 8.944 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.318 7.609 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.019 9.207 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.272 8.257 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.617 6.632 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.614 7.042 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.113 8.722 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.770 7.625 10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.517 7.882 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.866 5.620 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.018 5.606 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.191 5.345 10.063 1.00 0.00 H new ATOM 201 N ASP A 13 -1.757 8.444 5.808 1.00 0.00 N ATOM 202 CA ASP A 13 -0.329 8.245 5.689 1.00 0.00 C ATOM 203 C ASP A 13 0.174 7.215 6.678 1.00 0.00 C ATOM 204 O ASP A 13 -0.116 7.279 7.877 1.00 0.00 O ATOM 205 CB ASP A 13 0.470 9.526 5.959 1.00 0.00 C ATOM 206 CG ASP A 13 -0.142 10.796 5.420 1.00 0.00 C ATOM 207 OD1 ASP A 13 -0.724 10.759 4.325 1.00 0.00 O ATOM 208 OD2 ASP A 13 0.002 11.839 6.090 1.00 0.00 O ATOM 0 H ASP A 13 -2.015 9.243 6.387 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.178 7.915 4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.599 9.633 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.465 9.411 5.529 1.00 0.00 H new ATOM 213 N CYS A 14 1.000 6.321 6.169 1.00 0.00 N ATOM 214 CA CYS A 14 1.658 5.312 6.986 1.00 0.00 C ATOM 215 C CYS A 14 2.001 5.919 8.329 1.00 0.00 C ATOM 216 O CYS A 14 2.723 6.923 8.382 1.00 0.00 O ATOM 217 CB CYS A 14 2.955 4.902 6.311 1.00 0.00 C ATOM 218 SG CYS A 14 3.590 6.194 5.181 1.00 0.00 S ATOM 0 H CYS A 14 1.236 6.271 5.178 1.00 0.00 H new ATOM 0 HA CYS A 14 1.001 4.451 7.110 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.706 4.687 7.072 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.795 3.980 5.752 1.00 0.00 H new ATOM 223 N PRO A 15 1.518 5.348 9.428 1.00 0.00 N ATOM 224 CA PRO A 15 1.816 5.897 10.742 1.00 0.00 C ATOM 225 C PRO A 15 3.294 5.723 11.106 1.00 0.00 C ATOM 226 O PRO A 15 3.834 6.483 11.903 1.00 0.00 O ATOM 227 CB PRO A 15 0.879 5.126 11.666 1.00 0.00 C ATOM 228 CG PRO A 15 0.652 3.828 10.973 1.00 0.00 C ATOM 229 CD PRO A 15 0.672 4.137 9.498 1.00 0.00 C ATOM 0 HA PRO A 15 1.659 6.974 10.807 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.325 4.978 12.649 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.057 5.663 11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.427 3.107 11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.302 3.390 11.267 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.093 3.315 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.330 4.321 9.110 1.00 0.00 H new ATOM 237 N ASN A 16 3.950 4.748 10.471 1.00 0.00 N ATOM 238 CA ASN A 16 5.377 4.500 10.679 1.00 0.00 C ATOM 239 C ASN A 16 6.118 4.708 9.345 1.00 0.00 C ATOM 240 O ASN A 16 5.941 3.926 8.413 1.00 0.00 O ATOM 241 CB ASN A 16 5.590 3.073 11.233 1.00 0.00 C ATOM 242 CG ASN A 16 6.880 2.932 12.025 1.00 0.00 C ATOM 243 OD1 ASN A 16 7.416 3.909 12.530 1.00 0.00 O ATOM 244 ND2 ASN A 16 7.387 1.711 12.135 1.00 0.00 N ATOM 0 H ASN A 16 3.510 4.114 9.804 1.00 0.00 H new ATOM 0 HA ASN A 16 5.779 5.199 11.413 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.747 2.807 11.871 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.599 2.365 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.252 1.563 12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.912 0.920 11.700 1.00 0.00 H new ATOM 251 N GLY A 17 6.906 5.794 9.231 1.00 0.00 N ATOM 252 CA GLY A 17 7.604 6.077 7.964 1.00 0.00 C ATOM 253 C GLY A 17 8.830 6.993 8.066 1.00 0.00 C ATOM 254 O GLY A 17 8.914 7.843 8.948 1.00 0.00 O ATOM 0 H GLY A 17 7.072 6.471 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.917 5.130 7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.893 6.529 7.273 1.00 0.00 H new ATOM 258 N HIS A 18 9.763 6.808 7.118 1.00 0.00 N ATOM 259 CA HIS A 18 11.012 7.596 7.025 1.00 0.00 C ATOM 260 C HIS A 18 11.563 7.590 5.589 1.00 0.00 C ATOM 261 O HIS A 18 11.955 8.625 5.053 1.00 0.00 O ATOM 262 CB HIS A 18 12.069 7.030 7.964 1.00 0.00 C ATOM 263 CG HIS A 18 12.798 8.080 8.726 1.00 0.00 C ATOM 264 ND1 HIS A 18 14.161 8.069 8.887 1.00 0.00 N ATOM 265 CD2 HIS A 18 12.348 9.168 9.390 1.00 0.00 C ATOM 266 CE1 HIS A 18 14.526 9.100 9.627 1.00 0.00 C ATOM 267 NE2 HIS A 18 13.443 9.785 9.943 1.00 0.00 N ATOM 0 H HIS A 18 9.675 6.103 6.387 1.00 0.00 H new ATOM 0 HA HIS A 18 10.777 8.621 7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.593 6.345 8.666 1.00 0.00 H new ATOM 0 HB3 HIS A 18 12.785 6.447 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 18 11.321 9.491 9.470 1.00 0.00 H new ATOM 0 HE1 HIS A 18 15.536 9.341 9.923 1.00 0.00 H new ATOM 0 HE2 HIS A 18 13.423 10.635 10.507 1.00 0.00 H new ATOM 276 N VAL A 19 11.574 6.400 4.988 1.00 0.00 N ATOM 277 CA VAL A 19 12.044 6.192 3.614 1.00 0.00 C ATOM 278 C VAL A 19 10.933 5.545 2.801 1.00 0.00 C ATOM 279 O VAL A 19 10.238 4.655 3.308 1.00 0.00 O ATOM 280 CB VAL A 19 13.263 5.231 3.541 1.00 0.00 C ATOM 281 CG1 VAL A 19 14.385 5.808 2.699 1.00 0.00 C ATOM 282 CG2 VAL A 19 13.773 4.867 4.921 1.00 0.00 C ATOM 0 H VAL A 19 11.255 5.545 5.443 1.00 0.00 H new ATOM 0 HA VAL A 19 12.333 7.170 3.229 1.00 0.00 H new ATOM 0 HB VAL A 19 12.912 4.319 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.218 5.106 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.026 5.983 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.718 6.751 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.625 4.194 4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.081 5.772 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.980 4.373 5.483 1.00 0.00 H new ATOM 292 N CYS A 20 10.770 5.933 1.543 1.00 0.00 N ATOM 293 CA CYS A 20 9.747 5.294 0.719 1.00 0.00 C ATOM 294 C CYS A 20 10.214 3.872 0.407 1.00 0.00 C ATOM 295 O CYS A 20 10.930 3.607 -0.555 1.00 0.00 O ATOM 296 CB CYS A 20 9.444 6.112 -0.528 1.00 0.00 C ATOM 297 SG CYS A 20 8.371 7.551 -0.178 1.00 0.00 S ATOM 0 H CYS A 20 11.312 6.663 1.080 1.00 0.00 H new ATOM 0 HA CYS A 20 8.801 5.241 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.379 6.459 -0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.961 5.474 -1.268 1.00 0.00 H new ATOM 302 N TYR A 21 9.869 3.000 1.336 1.00 0.00 N ATOM 303 CA TYR A 21 10.264 1.594 1.357 1.00 0.00 C ATOM 304 C TYR A 21 9.398 0.680 0.446 1.00 0.00 C ATOM 305 O TYR A 21 8.695 -0.203 0.930 1.00 0.00 O ATOM 306 CB TYR A 21 10.180 1.212 2.837 1.00 0.00 C ATOM 307 CG TYR A 21 10.801 -0.074 3.264 1.00 0.00 C ATOM 308 CD1 TYR A 21 12.175 -0.256 3.288 1.00 0.00 C ATOM 309 CD2 TYR A 21 9.993 -1.087 3.723 1.00 0.00 C ATOM 310 CE1 TYR A 21 12.718 -1.437 3.750 1.00 0.00 C ATOM 311 CE2 TYR A 21 10.523 -2.255 4.197 1.00 0.00 C ATOM 312 CZ TYR A 21 11.882 -2.430 4.206 1.00 0.00 C ATOM 313 OH TYR A 21 12.406 -3.592 4.692 1.00 0.00 O ATOM 0 H TYR A 21 9.283 3.257 2.130 1.00 0.00 H new ATOM 0 HA TYR A 21 11.262 1.453 0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.640 2.013 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.126 1.183 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.826 0.533 2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.921 -0.958 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.788 -1.581 3.754 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.873 -3.036 4.563 1.00 0.00 H new ATOM 0 HH TYR A 21 11.679 -4.186 4.973 1.00 0.00 H new ATOM 323 N THR A 22 9.518 0.907 -0.869 1.00 0.00 N ATOM 324 CA THR A 22 8.839 0.156 -1.963 1.00 0.00 C ATOM 325 C THR A 22 8.953 -1.394 -1.744 1.00 0.00 C ATOM 326 O THR A 22 9.685 -2.079 -2.453 1.00 0.00 O ATOM 327 CB THR A 22 9.588 0.650 -3.226 1.00 0.00 C ATOM 328 OG1 THR A 22 9.736 2.073 -3.151 1.00 0.00 O ATOM 329 CG2 THR A 22 8.990 0.374 -4.594 1.00 0.00 C ATOM 0 H THR A 22 10.116 1.651 -1.228 1.00 0.00 H new ATOM 0 HA THR A 22 7.765 0.331 -2.025 1.00 0.00 H new ATOM 0 HB THR A 22 10.507 0.065 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.687 2.300 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.640 0.787 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.893 -0.702 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.006 0.839 -4.662 1.00 0.00 H new ATOM 337 N LYS A 23 8.276 -1.912 -0.685 1.00 0.00 N ATOM 338 CA LYS A 23 8.357 -3.344 -0.277 1.00 0.00 C ATOM 339 C LYS A 23 7.387 -4.308 -0.990 1.00 0.00 C ATOM 340 O LYS A 23 6.272 -4.556 -0.521 1.00 0.00 O ATOM 341 CB LYS A 23 8.150 -3.474 1.250 1.00 0.00 C ATOM 342 CG LYS A 23 8.595 -4.821 1.820 1.00 0.00 C ATOM 343 CD LYS A 23 9.209 -4.687 3.205 1.00 0.00 C ATOM 344 CE LYS A 23 9.350 -6.039 3.878 1.00 0.00 C ATOM 345 NZ LYS A 23 9.036 -5.978 5.336 1.00 0.00 N ATOM 0 H LYS A 23 7.662 -1.354 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 23 9.357 -3.651 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.701 -2.678 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.095 -3.324 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.739 -5.493 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.320 -5.277 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.188 -4.213 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.587 -4.036 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.685 -6.755 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.367 -6.406 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.145 -6.924 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.687 -5.315 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.057 -5.653 5.467 1.00 0.00 H new ATOM 359 N THR A 24 7.870 -4.911 -2.072 1.00 0.00 N ATOM 360 CA THR A 24 7.120 -5.922 -2.846 1.00 0.00 C ATOM 361 C THR A 24 7.277 -7.318 -2.210 1.00 0.00 C ATOM 362 O THR A 24 7.627 -8.287 -2.879 1.00 0.00 O ATOM 363 CB THR A 24 7.657 -5.948 -4.285 1.00 0.00 C ATOM 364 OG1 THR A 24 7.533 -4.675 -4.877 1.00 0.00 O ATOM 365 CG2 THR A 24 6.977 -6.944 -5.204 1.00 0.00 C ATOM 0 H THR A 24 8.798 -4.718 -2.447 1.00 0.00 H new ATOM 0 HA THR A 24 6.062 -5.659 -2.845 1.00 0.00 H new ATOM 0 HB THR A 24 8.697 -6.257 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.880 -4.705 -5.793 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.425 -6.888 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.102 -7.951 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.915 -6.710 -5.272 1.00 0.00 H new ATOM 373 N TRP A 25 7.041 -7.412 -0.902 1.00 0.00 N ATOM 374 CA TRP A 25 7.189 -8.680 -0.178 1.00 0.00 C ATOM 375 C TRP A 25 5.878 -9.470 -0.102 1.00 0.00 C ATOM 376 O TRP A 25 4.799 -8.905 0.112 1.00 0.00 O ATOM 377 CB TRP A 25 7.774 -8.387 1.221 1.00 0.00 C ATOM 378 CG TRP A 25 7.110 -9.081 2.380 1.00 0.00 C ATOM 379 CD1 TRP A 25 5.814 -8.946 2.796 1.00 0.00 C ATOM 380 CD2 TRP A 25 7.723 -9.998 3.296 1.00 0.00 C ATOM 381 NE1 TRP A 25 5.583 -9.748 3.886 1.00 0.00 N ATOM 382 CE2 TRP A 25 6.733 -10.400 4.208 1.00 0.00 C ATOM 383 CE3 TRP A 25 9.002 -10.538 3.429 1.00 0.00 C ATOM 384 CZ2 TRP A 25 6.977 -11.299 5.232 1.00 0.00 C ATOM 385 CZ3 TRP A 25 9.244 -11.436 4.454 1.00 0.00 C ATOM 386 CH2 TRP A 25 8.231 -11.811 5.339 1.00 0.00 C ATOM 0 H TRP A 25 6.747 -6.628 -0.320 1.00 0.00 H new ATOM 0 HA TRP A 25 7.877 -9.321 -0.729 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.828 -8.663 1.216 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.727 -7.312 1.393 1.00 0.00 H new ATOM 0 HD1 TRP A 25 5.080 -8.302 2.334 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.693 -9.840 4.375 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.790 -10.260 2.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.197 -11.584 5.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 10.233 -11.854 4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.448 -12.521 6.123 1.00 0.00 H new ATOM 397 N CYS A 26 5.994 -10.781 -0.278 1.00 0.00 N ATOM 398 CA CYS A 26 4.839 -11.675 -0.235 1.00 0.00 C ATOM 399 C CYS A 26 4.832 -12.552 1.008 1.00 0.00 C ATOM 400 O CYS A 26 3.821 -13.209 1.277 1.00 0.00 O ATOM 401 CB CYS A 26 4.802 -12.573 -1.477 1.00 0.00 C ATOM 402 SG CYS A 26 3.463 -12.166 -2.648 1.00 0.00 S ATOM 0 H CYS A 26 6.881 -11.252 -0.453 1.00 0.00 H new ATOM 0 HA CYS A 26 3.956 -11.037 -0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 26 5.758 -12.499 -1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.691 -13.610 -1.160 1.00 0.00 H new ATOM 407 N ASP A 27 5.952 -12.585 1.747 1.00 0.00 N ATOM 408 CA ASP A 27 6.052 -13.418 2.943 1.00 0.00 C ATOM 409 C ASP A 27 6.087 -14.888 2.518 1.00 0.00 C ATOM 410 O ASP A 27 7.101 -15.578 2.654 1.00 0.00 O ATOM 411 CB ASP A 27 4.853 -13.118 3.859 1.00 0.00 C ATOM 412 CG ASP A 27 4.972 -13.693 5.254 1.00 0.00 C ATOM 413 OD1 ASP A 27 5.993 -14.336 5.560 1.00 0.00 O ATOM 414 OD2 ASP A 27 4.031 -13.484 6.044 1.00 0.00 O ATOM 0 H ASP A 27 6.792 -12.047 1.535 1.00 0.00 H new ATOM 0 HA ASP A 27 6.965 -13.202 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.730 -12.038 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.949 -13.510 3.394 1.00 0.00 H new ATOM 419 N ALA A 28 4.975 -15.319 1.952 1.00 0.00 N ATOM 420 CA ALA A 28 4.812 -16.662 1.439 1.00 0.00 C ATOM 421 C ALA A 28 3.582 -16.724 0.516 1.00 0.00 C ATOM 422 O ALA A 28 3.639 -17.295 -0.574 1.00 0.00 O ATOM 423 CB ALA A 28 4.686 -17.645 2.597 1.00 0.00 C ATOM 0 H ALA A 28 4.147 -14.734 1.835 1.00 0.00 H new ATOM 0 HA ALA A 28 5.688 -16.939 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.563 -18.655 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.585 -17.601 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.819 -17.383 3.204 1.00 0.00 H new ATOM 429 N PHE A 29 2.472 -16.123 0.981 1.00 0.00 N ATOM 430 CA PHE A 29 1.197 -16.098 0.234 1.00 0.00 C ATOM 431 C PHE A 29 0.847 -14.760 -0.391 1.00 0.00 C ATOM 432 O PHE A 29 0.444 -14.701 -1.546 1.00 0.00 O ATOM 433 CB PHE A 29 0.006 -16.317 1.160 1.00 0.00 C ATOM 434 CG PHE A 29 -0.122 -17.633 1.833 1.00 0.00 C ATOM 435 CD1 PHE A 29 -0.038 -18.818 1.128 1.00 0.00 C ATOM 436 CD2 PHE A 29 -0.385 -17.668 3.191 1.00 0.00 C ATOM 437 CE1 PHE A 29 -0.204 -20.026 1.776 1.00 0.00 C ATOM 438 CE2 PHE A 29 -0.560 -18.865 3.843 1.00 0.00 C ATOM 439 CZ PHE A 29 -0.469 -20.050 3.137 1.00 0.00 C ATOM 0 H PHE A 29 2.431 -15.643 1.880 1.00 0.00 H new ATOM 0 HA PHE A 29 1.357 -16.871 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.039 -15.549 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.902 -16.149 0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.158 -18.800 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.454 -16.744 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.128 -20.951 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.768 -18.880 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.604 -20.994 3.645 1.00 0.00 H new ATOM 449 N CYS A 30 0.827 -13.722 0.459 1.00 0.00 N ATOM 450 CA CYS A 30 0.334 -12.396 0.073 1.00 0.00 C ATOM 451 C CYS A 30 -1.197 -12.438 0.283 1.00 0.00 C ATOM 452 O CYS A 30 -1.966 -12.656 -0.657 1.00 0.00 O ATOM 453 CB CYS A 30 0.699 -12.046 -1.383 1.00 0.00 C ATOM 454 SG CYS A 30 2.189 -11.010 -1.554 1.00 0.00 S ATOM 0 H CYS A 30 1.150 -13.779 1.425 1.00 0.00 H new ATOM 0 HA CYS A 30 0.796 -11.616 0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.848 -12.971 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.144 -11.529 -1.842 1.00 0.00 H new ATOM 459 N SER A 31 -1.601 -12.331 1.565 1.00 0.00 N ATOM 460 CA SER A 31 -3.011 -12.462 1.994 1.00 0.00 C ATOM 461 C SER A 31 -3.897 -11.209 1.906 1.00 0.00 C ATOM 462 O SER A 31 -5.063 -11.286 2.301 1.00 0.00 O ATOM 463 CB SER A 31 -3.055 -12.977 3.439 1.00 0.00 C ATOM 464 OG SER A 31 -4.281 -13.641 3.706 1.00 0.00 O ATOM 0 H SER A 31 -0.957 -12.151 2.336 1.00 0.00 H new ATOM 0 HA SER A 31 -3.436 -13.156 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.223 -13.660 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.931 -12.143 4.130 1.00 0.00 H new ATOM 0 HG SER A 31 -5.024 -13.115 3.343 1.00 0.00 H new ATOM 470 N ILE A 32 -3.431 -10.075 1.395 1.00 0.00 N ATOM 471 CA ILE A 32 -4.337 -8.915 1.311 1.00 0.00 C ATOM 472 C ILE A 32 -4.851 -8.739 -0.120 1.00 0.00 C ATOM 473 O ILE A 32 -4.050 -8.726 -1.044 1.00 0.00 O ATOM 474 CB ILE A 32 -3.718 -7.589 1.838 1.00 0.00 C ATOM 475 CG1 ILE A 32 -3.776 -7.520 3.377 1.00 0.00 C ATOM 476 CG2 ILE A 32 -4.500 -6.398 1.290 1.00 0.00 C ATOM 477 CD1 ILE A 32 -3.872 -8.852 4.101 1.00 0.00 C ATOM 0 H ILE A 32 -2.484 -9.926 1.047 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.172 -9.138 1.976 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.679 -7.559 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.886 -7.000 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.635 -6.912 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.062 -5.472 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.459 -6.406 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.538 -6.464 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.906 -8.680 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.777 -9.372 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.001 -9.461 3.859 1.00 0.00 H new ATOM 489 N ARG A 33 -6.191 -8.616 -0.258 1.00 0.00 N ATOM 490 CA ARG A 33 -6.916 -8.440 -1.557 1.00 0.00 C ATOM 491 C ARG A 33 -6.052 -8.705 -2.797 1.00 0.00 C ATOM 492 O ARG A 33 -6.301 -9.632 -3.571 1.00 0.00 O ATOM 493 CB ARG A 33 -7.492 -7.011 -1.643 1.00 0.00 C ATOM 494 CG ARG A 33 -7.659 -6.318 -0.287 1.00 0.00 C ATOM 495 CD ARG A 33 -8.844 -6.850 0.525 1.00 0.00 C ATOM 496 NE ARG A 33 -8.903 -8.324 0.555 1.00 0.00 N ATOM 497 CZ ARG A 33 -8.861 -9.094 1.646 1.00 0.00 C ATOM 498 NH1 ARG A 33 -8.766 -8.588 2.861 1.00 0.00 N ATOM 499 NH2 ARG A 33 -8.941 -10.393 1.503 1.00 0.00 N ATOM 0 H ARG A 33 -6.821 -8.636 0.544 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.709 -9.188 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.838 -6.405 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.462 -7.051 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.745 -6.445 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.789 -5.248 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.777 -6.473 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.771 -6.463 0.102 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.984 -8.801 -0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.722 -7.577 2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.737 -9.208 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.033 -10.799 0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.911 -10.999 2.323 1.00 0.00 H new ATOM 513 N GLY A 34 -5.055 -7.863 -2.960 1.00 0.00 N ATOM 514 CA GLY A 34 -4.134 -7.948 -4.068 1.00 0.00 C ATOM 515 C GLY A 34 -3.274 -6.723 -4.125 1.00 0.00 C ATOM 516 O GLY A 34 -3.418 -5.882 -5.016 1.00 0.00 O ATOM 0 H GLY A 34 -4.861 -7.093 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.509 -8.835 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.686 -8.056 -5.001 1.00 0.00 H new ATOM 520 N LYS A 35 -2.397 -6.629 -3.131 1.00 0.00 N ATOM 521 CA LYS A 35 -1.483 -5.504 -3.005 1.00 0.00 C ATOM 522 C LYS A 35 -1.032 -5.018 -4.360 1.00 0.00 C ATOM 523 O LYS A 35 -0.830 -5.804 -5.284 1.00 0.00 O ATOM 524 CB LYS A 35 -0.232 -5.841 -2.206 1.00 0.00 C ATOM 525 CG LYS A 35 -0.327 -6.969 -1.215 1.00 0.00 C ATOM 526 CD LYS A 35 0.089 -6.346 0.091 1.00 0.00 C ATOM 527 CE LYS A 35 1.084 -7.169 0.890 1.00 0.00 C ATOM 528 NZ LYS A 35 0.819 -7.016 2.358 1.00 0.00 N ATOM 0 H LYS A 35 -2.301 -7.328 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.047 -4.734 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.564 -6.078 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.076 -4.945 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.340 -7.368 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.328 -7.796 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.524 -5.367 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.800 -6.181 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.010 -8.219 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.100 -6.848 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.505 -7.583 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.912 -6.015 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.144 -7.343 2.573 1.00 0.00 H new ATOM 542 N ARG A 36 -0.816 -3.721 -4.466 1.00 0.00 N ATOM 543 CA ARG A 36 -0.343 -3.145 -5.697 1.00 0.00 C ATOM 544 C ARG A 36 1.125 -2.857 -5.565 1.00 0.00 C ATOM 545 O ARG A 36 1.648 -1.890 -6.068 1.00 0.00 O ATOM 546 CB ARG A 36 -1.208 -1.966 -6.020 1.00 0.00 C ATOM 547 CG ARG A 36 -2.496 -2.432 -6.654 1.00 0.00 C ATOM 548 CD ARG A 36 -2.400 -2.335 -8.156 1.00 0.00 C ATOM 549 NE ARG A 36 -2.013 -3.606 -8.766 1.00 0.00 N ATOM 550 CZ ARG A 36 -1.110 -3.729 -9.726 1.00 0.00 C ATOM 551 NH1 ARG A 36 -0.393 -2.688 -10.126 1.00 0.00 N ATOM 552 NH2 ARG A 36 -0.908 -4.905 -10.262 1.00 0.00 N ATOM 0 H ARG A 36 -0.962 -3.051 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.426 -3.822 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.423 -1.402 -5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.682 -1.293 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.703 -3.461 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.327 -1.825 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.361 -2.017 -8.560 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.672 -1.569 -8.424 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.469 -4.454 -8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.533 -1.775 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.299 -2.800 -10.867 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.443 -5.711 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.216 -5.016 -11.003 1.00 0.00 H new ATOM 566 N VAL A 37 1.738 -3.816 -4.913 1.00 0.00 N ATOM 567 CA VAL A 37 3.149 -3.847 -4.703 1.00 0.00 C ATOM 568 C VAL A 37 3.673 -2.629 -3.943 1.00 0.00 C ATOM 569 O VAL A 37 2.915 -1.765 -3.524 1.00 0.00 O ATOM 570 CB VAL A 37 3.850 -4.045 -6.063 1.00 0.00 C ATOM 571 CG1 VAL A 37 5.006 -4.991 -5.971 1.00 0.00 C ATOM 572 CG2 VAL A 37 2.888 -4.622 -7.096 1.00 0.00 C ATOM 0 H VAL A 37 1.248 -4.613 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 37 3.383 -4.691 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 37 4.200 -3.057 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.467 -5.098 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.740 -4.601 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.654 -5.964 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.408 -4.751 -8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.519 -5.587 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.049 -3.940 -7.232 1.00 0.00 H new ATOM 582 N ASP A 38 4.976 -2.646 -3.771 1.00 0.00 N ATOM 583 CA ASP A 38 5.769 -1.665 -3.065 1.00 0.00 C ATOM 584 C ASP A 38 5.120 -0.306 -2.715 1.00 0.00 C ATOM 585 O ASP A 38 4.785 0.462 -3.558 1.00 0.00 O ATOM 586 CB ASP A 38 6.953 -1.364 -3.968 1.00 0.00 C ATOM 587 CG ASP A 38 6.576 -1.408 -5.502 1.00 0.00 C ATOM 588 OD1 ASP A 38 5.450 -0.971 -5.855 1.00 0.00 O ATOM 589 OD2 ASP A 38 7.399 -1.852 -6.365 1.00 0.00 O ATOM 0 H ASP A 38 5.550 -3.400 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 38 5.983 -2.116 -2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.350 -0.379 -3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.747 -2.085 -3.772 1.00 0.00 H new ATOM 594 N LEU A 39 5.171 0.096 -1.435 1.00 0.00 N ATOM 595 CA LEU A 39 4.788 1.461 -1.043 1.00 0.00 C ATOM 596 C LEU A 39 5.772 1.949 0.005 1.00 0.00 C ATOM 597 O LEU A 39 6.427 2.989 -0.186 1.00 0.00 O ATOM 598 CB LEU A 39 3.327 1.725 -0.616 1.00 0.00 C ATOM 599 CG LEU A 39 2.306 0.599 -0.692 1.00 0.00 C ATOM 600 CD1 LEU A 39 1.673 0.417 0.662 1.00 0.00 C ATOM 601 CD2 LEU A 39 1.200 0.947 -1.666 1.00 0.00 C ATOM 0 H LEU A 39 5.470 -0.498 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 39 4.837 2.036 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.347 2.078 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.952 2.547 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 39 2.818 -0.306 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.940 -0.388 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.442 0.166 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.178 1.341 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.480 0.130 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.698 1.857 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.625 1.106 -2.657 1.00 0.00 H new ATOM 613 N GLY A 40 5.943 1.188 1.070 1.00 0.00 N ATOM 614 CA GLY A 40 6.926 1.567 2.043 1.00 0.00 C ATOM 615 C GLY A 40 6.392 2.213 3.284 1.00 0.00 C ATOM 616 O GLY A 40 5.219 2.092 3.623 1.00 0.00 O ATOM 0 H GLY A 40 5.427 0.331 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.488 0.678 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.631 2.252 1.573 1.00 0.00 H new ATOM 620 N CYS A 41 7.310 2.869 3.980 1.00 0.00 N ATOM 621 CA CYS A 41 7.059 3.538 5.248 1.00 0.00 C ATOM 622 C CYS A 41 7.445 2.585 6.345 1.00 0.00 C ATOM 623 O CYS A 41 6.628 1.864 6.907 1.00 0.00 O ATOM 624 CB CYS A 41 5.631 4.025 5.424 1.00 0.00 C ATOM 625 SG CYS A 41 5.161 5.330 4.259 1.00 0.00 S ATOM 0 H CYS A 41 8.278 2.953 3.669 1.00 0.00 H new ATOM 0 HA CYS A 41 7.660 4.447 5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.951 3.181 5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.505 4.395 6.441 1.00 0.00 H new ATOM 630 N ALA A 42 8.732 2.590 6.586 1.00 0.00 N ATOM 631 CA ALA A 42 9.394 1.760 7.566 1.00 0.00 C ATOM 632 C ALA A 42 10.812 2.316 7.687 1.00 0.00 C ATOM 633 O ALA A 42 11.065 3.419 7.192 1.00 0.00 O ATOM 634 CB ALA A 42 9.367 0.286 7.133 1.00 0.00 C ATOM 0 H ALA A 42 9.377 3.199 6.083 1.00 0.00 H new ATOM 0 HA ALA A 42 8.896 1.783 8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.870 -0.323 7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.333 -0.044 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.878 0.178 6.176 1.00 0.00 H new ATOM 640 N ALA A 43 11.733 1.617 8.319 1.00 0.00 N ATOM 641 CA ALA A 43 13.079 2.165 8.439 1.00 0.00 C ATOM 642 C ALA A 43 14.155 1.340 7.726 1.00 0.00 C ATOM 643 O ALA A 43 14.071 0.119 7.639 1.00 0.00 O ATOM 644 CB ALA A 43 13.448 2.327 9.906 1.00 0.00 C ATOM 0 H ALA A 43 11.589 0.701 8.745 1.00 0.00 H new ATOM 0 HA ALA A 43 13.053 3.134 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.455 2.737 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.742 3.004 10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.412 1.356 10.400 1.00 0.00 H new ATOM 650 N THR A 44 15.197 2.059 7.283 1.00 0.00 N ATOM 651 CA THR A 44 16.404 1.496 6.629 1.00 0.00 C ATOM 652 C THR A 44 16.184 0.638 5.370 1.00 0.00 C ATOM 653 O THR A 44 15.071 0.368 4.922 1.00 0.00 O ATOM 654 CB THR A 44 17.220 0.631 7.622 1.00 0.00 C ATOM 655 OG1 THR A 44 16.447 -0.423 8.168 1.00 0.00 O ATOM 656 CG2 THR A 44 17.846 1.391 8.771 1.00 0.00 C ATOM 0 H THR A 44 15.232 3.075 7.368 1.00 0.00 H new ATOM 0 HA THR A 44 16.929 2.395 6.307 1.00 0.00 H new ATOM 0 HB THR A 44 18.029 0.242 7.003 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.613 -0.514 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.395 0.699 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.530 2.144 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.064 1.879 9.353 1.00 0.00 H new ATOM 664 N CYS A 45 17.336 0.163 4.872 1.00 0.00 N ATOM 665 CA CYS A 45 17.458 -0.751 3.736 1.00 0.00 C ATOM 666 C CYS A 45 18.301 -1.920 4.252 1.00 0.00 C ATOM 667 O CYS A 45 19.478 -2.059 3.914 1.00 0.00 O ATOM 668 CB CYS A 45 18.155 -0.078 2.542 1.00 0.00 C ATOM 669 SG CYS A 45 17.327 -0.354 0.947 1.00 0.00 S ATOM 0 H CYS A 45 18.241 0.418 5.268 1.00 0.00 H new ATOM 0 HA CYS A 45 16.479 -1.069 3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.215 0.994 2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.178 -0.448 2.477 1.00 0.00 H new ATOM 674 N PRO A 46 17.717 -2.713 5.171 1.00 0.00 N ATOM 675 CA PRO A 46 18.420 -3.815 5.849 1.00 0.00 C ATOM 676 C PRO A 46 18.572 -5.122 5.057 1.00 0.00 C ATOM 677 O PRO A 46 19.440 -5.928 5.383 1.00 0.00 O ATOM 678 CB PRO A 46 17.586 -4.020 7.113 1.00 0.00 C ATOM 679 CG PRO A 46 16.211 -3.552 6.772 1.00 0.00 C ATOM 680 CD PRO A 46 16.345 -2.530 5.680 1.00 0.00 C ATOM 0 HA PRO A 46 19.463 -3.548 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.580 -5.068 7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.996 -3.453 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.592 -4.386 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.725 -3.119 7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.606 -2.688 4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.194 -1.520 6.061 1.00 0.00 H new ATOM 688 N THR A 47 17.772 -5.338 4.017 1.00 0.00 N ATOM 689 CA THR A 47 17.913 -6.563 3.214 1.00 0.00 C ATOM 690 C THR A 47 17.639 -6.315 1.737 1.00 0.00 C ATOM 691 O THR A 47 18.558 -6.410 0.924 1.00 0.00 O ATOM 692 CB THR A 47 17.062 -7.731 3.743 1.00 0.00 C ATOM 693 OG1 THR A 47 17.095 -8.813 2.828 1.00 0.00 O ATOM 694 CG2 THR A 47 15.607 -7.410 3.990 1.00 0.00 C ATOM 0 H THR A 47 17.035 -4.703 3.710 1.00 0.00 H new ATOM 0 HA THR A 47 18.957 -6.861 3.316 1.00 0.00 H new ATOM 0 HB THR A 47 17.513 -7.974 4.705 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.552 -9.551 3.175 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.096 -8.299 4.361 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.531 -6.613 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.143 -7.087 3.058 1.00 0.00 H new ATOM 702 N VAL A 48 16.394 -5.988 1.383 1.00 0.00 N ATOM 703 CA VAL A 48 16.049 -5.723 -0.014 1.00 0.00 C ATOM 704 C VAL A 48 16.504 -6.867 -0.938 1.00 0.00 C ATOM 705 O VAL A 48 17.410 -6.692 -1.757 1.00 0.00 O ATOM 706 CB VAL A 48 16.684 -4.398 -0.485 1.00 0.00 C ATOM 707 CG1 VAL A 48 16.015 -3.919 -1.747 1.00 0.00 C ATOM 708 CG2 VAL A 48 16.592 -3.329 0.592 1.00 0.00 C ATOM 0 H VAL A 48 15.616 -5.901 2.037 1.00 0.00 H new ATOM 0 HA VAL A 48 14.963 -5.648 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 48 17.739 -4.585 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.472 -2.983 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.134 -4.669 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.954 -3.758 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.048 -2.408 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.545 -3.145 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.117 -3.667 1.486 1.00 0.00 H new ATOM 718 N LYS A 49 15.876 -8.044 -0.786 1.00 0.00 N ATOM 719 CA LYS A 49 16.221 -9.230 -1.600 1.00 0.00 C ATOM 720 C LYS A 49 15.344 -10.453 -1.239 1.00 0.00 C ATOM 721 O LYS A 49 14.206 -10.287 -0.794 1.00 0.00 O ATOM 722 CB LYS A 49 17.715 -9.570 -1.447 1.00 0.00 C ATOM 723 CG LYS A 49 18.373 -8.921 -0.246 1.00 0.00 C ATOM 724 CD LYS A 49 19.238 -9.900 0.533 1.00 0.00 C ATOM 725 CE LYS A 49 20.555 -9.277 0.973 1.00 0.00 C ATOM 726 NZ LYS A 49 21.026 -8.206 0.040 1.00 0.00 N ATOM 0 H LYS A 49 15.129 -8.204 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 49 16.020 -8.983 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.825 -10.652 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.242 -9.260 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.985 -8.082 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.605 -8.514 0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.691 -10.248 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.440 -10.775 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.438 -8.857 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.316 -10.055 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.046 -8.053 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.845 -8.497 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.515 -7.323 0.239 1.00 0.00 H new ATOM 740 N THR A 50 15.869 -11.681 -1.463 1.00 0.00 N ATOM 741 CA THR A 50 15.116 -12.927 -1.187 1.00 0.00 C ATOM 742 C THR A 50 13.773 -12.851 -1.930 1.00 0.00 C ATOM 743 O THR A 50 13.724 -12.316 -3.031 1.00 0.00 O ATOM 744 CB THR A 50 14.910 -13.137 0.337 1.00 0.00 C ATOM 745 OG1 THR A 50 15.104 -11.943 1.051 1.00 0.00 O ATOM 746 CG2 THR A 50 15.817 -14.179 0.962 1.00 0.00 C ATOM 0 H THR A 50 16.807 -11.835 -1.833 1.00 0.00 H new ATOM 0 HA THR A 50 15.684 -13.787 -1.542 1.00 0.00 H new ATOM 0 HB THR A 50 13.881 -13.490 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.966 -12.107 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 50 15.601 -14.257 2.028 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.645 -15.144 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.858 -13.886 0.823 1.00 0.00 H new ATOM 754 N GLY A 51 12.672 -13.323 -1.335 1.00 0.00 N ATOM 755 CA GLY A 51 11.383 -13.193 -1.995 1.00 0.00 C ATOM 756 C GLY A 51 10.725 -11.865 -1.632 1.00 0.00 C ATOM 757 O GLY A 51 9.499 -11.772 -1.544 1.00 0.00 O ATOM 0 H GLY A 51 12.652 -13.784 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.513 -13.257 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.734 -14.018 -1.703 1.00 0.00 H new ATOM 761 N VAL A 52 11.564 -10.846 -1.386 1.00 0.00 N ATOM 762 CA VAL A 52 11.116 -9.513 -0.988 1.00 0.00 C ATOM 763 C VAL A 52 11.713 -8.413 -1.877 1.00 0.00 C ATOM 764 O VAL A 52 12.781 -7.876 -1.566 1.00 0.00 O ATOM 765 CB VAL A 52 11.560 -9.232 0.467 1.00 0.00 C ATOM 766 CG1 VAL A 52 10.805 -8.065 1.076 1.00 0.00 C ATOM 767 CG2 VAL A 52 11.410 -10.474 1.323 1.00 0.00 C ATOM 0 H VAL A 52 12.578 -10.930 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 52 10.031 -9.498 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 52 12.614 -8.955 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.148 -7.903 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.986 -7.167 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.738 -8.286 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.728 -10.254 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.366 -10.788 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.028 -11.274 0.915 1.00 0.00 H new ATOM 777 N ASP A 53 11.023 -8.050 -2.954 1.00 0.00 N ATOM 778 CA ASP A 53 11.511 -6.984 -3.830 1.00 0.00 C ATOM 779 C ASP A 53 11.285 -5.623 -3.158 1.00 0.00 C ATOM 780 O ASP A 53 10.157 -5.143 -3.061 1.00 0.00 O ATOM 781 CB ASP A 53 10.813 -7.053 -5.193 1.00 0.00 C ATOM 782 CG ASP A 53 11.692 -7.667 -6.262 1.00 0.00 C ATOM 783 OD1 ASP A 53 12.897 -7.342 -6.301 1.00 0.00 O ATOM 784 OD2 ASP A 53 11.175 -8.477 -7.055 1.00 0.00 O ATOM 0 H ASP A 53 10.138 -8.469 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 53 12.580 -7.114 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.897 -7.637 -5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.521 -6.049 -5.500 1.00 0.00 H new ATOM 789 N ILE A 54 12.354 -5.028 -2.641 1.00 0.00 N ATOM 790 CA ILE A 54 12.242 -3.751 -1.930 1.00 0.00 C ATOM 791 C ILE A 54 12.926 -2.583 -2.660 1.00 0.00 C ATOM 792 O ILE A 54 14.143 -2.530 -2.758 1.00 0.00 O ATOM 793 CB ILE A 54 12.862 -3.851 -0.517 1.00 0.00 C ATOM 794 CG1 ILE A 54 11.869 -4.387 0.503 1.00 0.00 C ATOM 795 CG2 ILE A 54 13.358 -2.490 -0.060 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.497 -4.586 1.866 1.00 0.00 C ATOM 0 H ILE A 54 13.301 -5.402 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 54 11.173 -3.547 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 54 13.697 -4.549 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.031 -3.696 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.465 -5.336 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.792 -2.577 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 54 14.115 -2.126 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 54 12.524 -1.789 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.748 -4.970 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.318 -5.299 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.877 -3.633 2.234 1.00 0.00 H new ATOM 808 N GLN A 55 12.157 -1.612 -3.117 1.00 0.00 N ATOM 809 CA GLN A 55 12.747 -0.441 -3.770 1.00 0.00 C ATOM 810 C GLN A 55 12.908 0.729 -2.779 1.00 0.00 C ATOM 811 O GLN A 55 12.439 1.844 -3.022 1.00 0.00 O ATOM 812 CB GLN A 55 11.894 -0.018 -4.955 1.00 0.00 C ATOM 813 CG GLN A 55 12.674 0.711 -6.012 1.00 0.00 C ATOM 814 CD GLN A 55 13.015 -0.168 -7.182 1.00 0.00 C ATOM 815 OE1 GLN A 55 12.767 -1.367 -7.173 1.00 0.00 O ATOM 816 NE2 GLN A 55 13.593 0.430 -8.193 1.00 0.00 N ATOM 0 H GLN A 55 11.139 -1.602 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 55 13.740 -0.716 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.433 -0.901 -5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.085 0.622 -4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.096 1.567 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.593 1.103 -5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.779 1.432 -8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.857 -0.106 -9.020 1.00 0.00 H new ATOM 825 N CYS A 56 13.570 0.461 -1.654 1.00 0.00 N ATOM 826 CA CYS A 56 13.784 1.479 -0.612 1.00 0.00 C ATOM 827 C CYS A 56 14.444 2.756 -1.163 1.00 0.00 C ATOM 828 O CYS A 56 15.598 2.753 -1.588 1.00 0.00 O ATOM 829 CB CYS A 56 14.594 0.881 0.550 1.00 0.00 C ATOM 830 SG CYS A 56 16.340 1.389 0.621 1.00 0.00 S ATOM 0 H CYS A 56 13.970 -0.452 -1.436 1.00 0.00 H new ATOM 0 HA CYS A 56 12.806 1.782 -0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.113 1.159 1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 56 14.551 -0.206 0.480 1.00 0.00 H new ATOM 835 N CYS A 57 13.675 3.849 -1.161 1.00 0.00 N ATOM 836 CA CYS A 57 14.144 5.150 -1.667 1.00 0.00 C ATOM 837 C CYS A 57 13.868 6.290 -0.681 1.00 0.00 C ATOM 838 O CYS A 57 12.735 6.474 -0.236 1.00 0.00 O ATOM 839 CB CYS A 57 13.437 5.488 -2.978 1.00 0.00 C ATOM 840 SG CYS A 57 11.617 5.554 -2.823 1.00 0.00 S ATOM 0 H CYS A 57 12.717 3.861 -0.812 1.00 0.00 H new ATOM 0 HA CYS A 57 15.221 5.058 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.799 6.450 -3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.704 4.744 -3.729 1.00 0.00 H new ATOM 845 N SER A 58 14.896 7.072 -0.367 1.00 0.00 N ATOM 846 CA SER A 58 14.747 8.212 0.548 1.00 0.00 C ATOM 847 C SER A 58 14.561 9.536 -0.205 1.00 0.00 C ATOM 848 O SER A 58 15.131 10.556 0.170 1.00 0.00 O ATOM 849 CB SER A 58 15.960 8.309 1.473 1.00 0.00 C ATOM 850 OG SER A 58 15.561 8.544 2.817 1.00 0.00 O ATOM 0 H SER A 58 15.841 6.943 -0.728 1.00 0.00 H new ATOM 0 HA SER A 58 13.848 8.037 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.538 7.386 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.613 9.115 1.138 1.00 0.00 H new ATOM 0 HG SER A 58 16.355 8.600 3.389 1.00 0.00 H new ATOM 856 N THR A 59 13.736 9.525 -1.249 1.00 0.00 N ATOM 857 CA THR A 59 13.460 10.748 -2.012 1.00 0.00 C ATOM 858 C THR A 59 12.264 11.489 -1.390 1.00 0.00 C ATOM 859 O THR A 59 11.619 10.966 -0.477 1.00 0.00 O ATOM 860 CB THR A 59 13.147 10.431 -3.483 1.00 0.00 C ATOM 861 OG1 THR A 59 13.549 11.497 -4.326 1.00 0.00 O ATOM 862 CG2 THR A 59 11.676 10.186 -3.730 1.00 0.00 C ATOM 0 H THR A 59 13.250 8.694 -1.587 1.00 0.00 H new ATOM 0 HA THR A 59 14.351 11.375 -1.975 1.00 0.00 H new ATOM 0 HB THR A 59 13.702 9.521 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.342 11.273 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.516 9.967 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.342 9.340 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.108 11.074 -3.453 1.00 0.00 H new ATOM 870 N ASP A 60 11.965 12.681 -1.915 1.00 0.00 N ATOM 871 CA ASP A 60 10.831 13.498 -1.448 1.00 0.00 C ATOM 872 C ASP A 60 9.496 12.970 -1.996 1.00 0.00 C ATOM 873 O ASP A 60 8.530 12.785 -1.248 1.00 0.00 O ATOM 874 CB ASP A 60 11.005 14.962 -1.906 1.00 0.00 C ATOM 875 CG ASP A 60 11.874 15.787 -0.984 1.00 0.00 C ATOM 876 OD1 ASP A 60 13.085 15.508 -0.907 1.00 0.00 O ATOM 877 OD2 ASP A 60 11.344 16.725 -0.353 1.00 0.00 O ATOM 0 H ASP A 60 12.497 13.109 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 60 10.816 13.442 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.439 14.972 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.023 15.429 -1.981 1.00 0.00 H new ATOM 882 N ASN A 61 9.430 12.769 -3.315 1.00 0.00 N ATOM 883 CA ASN A 61 8.193 12.315 -3.953 1.00 0.00 C ATOM 884 C ASN A 61 8.256 10.878 -4.455 1.00 0.00 C ATOM 885 O ASN A 61 7.892 10.587 -5.599 1.00 0.00 O ATOM 886 CB ASN A 61 7.771 13.265 -5.093 1.00 0.00 C ATOM 887 CG ASN A 61 8.859 14.239 -5.503 1.00 0.00 C ATOM 888 OD1 ASN A 61 10.041 13.904 -5.482 1.00 0.00 O ATOM 889 ND2 ASN A 61 8.474 15.445 -5.891 1.00 0.00 N ATOM 0 H ASN A 61 10.211 12.912 -3.956 1.00 0.00 H new ATOM 0 HA ASN A 61 7.435 12.336 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.479 12.672 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.891 13.827 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.168 16.132 -6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.483 15.687 -5.895 1.00 0.00 H new ATOM 896 N CYS A 62 8.631 9.957 -3.583 1.00 0.00 N ATOM 897 CA CYS A 62 8.614 8.565 -3.963 1.00 0.00 C ATOM 898 C CYS A 62 7.143 8.154 -3.987 1.00 0.00 C ATOM 899 O CYS A 62 6.592 7.794 -2.955 1.00 0.00 O ATOM 900 CB CYS A 62 9.448 7.711 -3.004 1.00 0.00 C ATOM 901 SG CYS A 62 11.119 7.339 -3.649 1.00 0.00 S ATOM 0 H CYS A 62 8.943 10.146 -2.630 1.00 0.00 H new ATOM 0 HA CYS A 62 9.069 8.411 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.540 8.230 -2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.923 6.776 -2.809 1.00 0.00 H new ATOM 906 N ASN A 63 6.542 8.316 -5.192 1.00 0.00 N ATOM 907 CA ASN A 63 5.111 8.058 -5.538 1.00 0.00 C ATOM 908 C ASN A 63 4.829 8.796 -6.878 1.00 0.00 C ATOM 909 O ASN A 63 4.405 9.957 -6.906 1.00 0.00 O ATOM 910 CB ASN A 63 4.121 8.438 -4.387 1.00 0.00 C ATOM 911 CG ASN A 63 3.020 9.408 -4.763 1.00 0.00 C ATOM 912 OD1 ASN A 63 2.267 9.177 -5.704 1.00 0.00 O ATOM 913 ND2 ASN A 63 2.882 10.476 -3.991 1.00 0.00 N ATOM 0 H ASN A 63 7.069 8.649 -5.999 1.00 0.00 H new ATOM 0 HA ASN A 63 4.939 6.989 -5.665 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.662 7.524 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.695 8.868 -3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.129 11.141 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.528 10.633 -3.218 1.00 0.00 H new ATOM 920 N PRO A 64 5.203 8.138 -8.017 1.00 0.00 N ATOM 921 CA PRO A 64 5.123 8.724 -9.383 1.00 0.00 C ATOM 922 C PRO A 64 3.770 8.574 -10.111 1.00 0.00 C ATOM 923 O PRO A 64 3.518 7.593 -10.823 1.00 0.00 O ATOM 924 CB PRO A 64 6.235 7.968 -10.109 1.00 0.00 C ATOM 925 CG PRO A 64 6.253 6.617 -9.479 1.00 0.00 C ATOM 926 CD PRO A 64 5.851 6.808 -8.040 1.00 0.00 C ATOM 0 HA PRO A 64 5.228 9.809 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.036 7.903 -11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.195 8.471 -9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.564 5.943 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.245 6.170 -9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.167 6.026 -7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.716 6.775 -7.377 1.00 0.00 H new ATOM 934 N PHE A 65 2.928 9.589 -9.927 1.00 0.00 N ATOM 935 CA PHE A 65 1.591 9.663 -10.519 1.00 0.00 C ATOM 936 C PHE A 65 0.583 8.927 -9.643 1.00 0.00 C ATOM 937 O PHE A 65 0.774 7.776 -9.258 1.00 0.00 O ATOM 938 CB PHE A 65 1.571 9.233 -11.982 1.00 0.00 C ATOM 939 CG PHE A 65 2.101 10.355 -12.802 1.00 0.00 C ATOM 940 CD1 PHE A 65 1.268 11.338 -13.303 1.00 0.00 C ATOM 941 CD2 PHE A 65 3.461 10.471 -12.985 1.00 0.00 C ATOM 942 CE1 PHE A 65 1.796 12.423 -13.981 1.00 0.00 C ATOM 943 CE2 PHE A 65 3.997 11.538 -13.670 1.00 0.00 C ATOM 944 CZ PHE A 65 3.166 12.520 -14.168 1.00 0.00 C ATOM 0 H PHE A 65 3.159 10.399 -9.352 1.00 0.00 H new ATOM 0 HA PHE A 65 1.284 10.709 -10.544 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.178 8.339 -12.124 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.556 8.982 -12.291 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.200 11.259 -13.165 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.118 9.713 -12.585 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.142 13.193 -14.364 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.065 11.606 -13.817 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.582 13.362 -14.702 1.00 0.00 H new ATOM 954 N PRO A 66 -0.480 9.647 -9.266 1.00 0.00 N ATOM 955 CA PRO A 66 -1.529 9.160 -8.346 1.00 0.00 C ATOM 956 C PRO A 66 -2.418 8.027 -8.856 1.00 0.00 C ATOM 957 O PRO A 66 -3.613 7.981 -8.531 1.00 0.00 O ATOM 958 CB PRO A 66 -2.384 10.398 -8.078 1.00 0.00 C ATOM 959 CG PRO A 66 -2.003 11.419 -9.092 1.00 0.00 C ATOM 960 CD PRO A 66 -0.686 11.033 -9.678 1.00 0.00 C ATOM 0 HA PRO A 66 -1.048 8.716 -7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.445 10.158 -8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.213 10.774 -7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.762 11.480 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.939 12.405 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.695 11.125 -10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.113 11.677 -9.311 1.00 0.00 H new ATOM 968 N THR A 67 -1.848 7.106 -9.616 1.00 0.00 N ATOM 969 CA THR A 67 -2.601 5.969 -10.133 1.00 0.00 C ATOM 970 C THR A 67 -2.486 4.754 -9.198 1.00 0.00 C ATOM 971 O THR A 67 -1.402 4.354 -8.803 1.00 0.00 O ATOM 972 CB THR A 67 -2.154 5.631 -11.568 1.00 0.00 C ATOM 973 OG1 THR A 67 -0.741 5.708 -11.723 1.00 0.00 O ATOM 974 CG2 THR A 67 -2.760 6.569 -12.581 1.00 0.00 C ATOM 0 H THR A 67 -0.866 7.121 -9.890 1.00 0.00 H new ATOM 0 HA THR A 67 -3.655 6.244 -10.170 1.00 0.00 H new ATOM 0 HB THR A 67 -2.496 4.611 -11.740 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.501 5.485 -12.646 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.419 6.296 -13.580 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.847 6.499 -12.537 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.453 7.591 -12.360 1.00 0.00 H new ATOM 982 N ARG A 68 -3.635 4.167 -8.879 1.00 0.00 N ATOM 983 CA ARG A 68 -3.721 2.980 -8.010 1.00 0.00 C ATOM 984 C ARG A 68 -4.285 1.901 -8.904 1.00 0.00 C ATOM 985 O ARG A 68 -3.571 1.478 -9.814 1.00 0.00 O ATOM 986 CB ARG A 68 -4.560 3.229 -6.723 1.00 0.00 C ATOM 987 CG ARG A 68 -4.449 4.660 -6.163 1.00 0.00 C ATOM 988 CD ARG A 68 -4.661 5.697 -7.248 1.00 0.00 C ATOM 989 NE ARG A 68 -5.461 6.842 -6.871 1.00 0.00 N ATOM 990 CZ ARG A 68 -6.771 6.807 -6.793 1.00 0.00 C ATOM 991 NH1 ARG A 68 -7.387 5.643 -6.898 1.00 0.00 N ATOM 992 NH2 ARG A 68 -7.445 7.926 -6.615 1.00 0.00 N ATOM 0 H ARG A 68 -4.541 4.496 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.750 2.694 -7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.607 3.016 -6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.243 2.524 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.187 4.801 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.467 4.800 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.686 6.052 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.133 5.212 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.985 7.718 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.845 4.790 -7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.404 5.597 -6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.949 8.814 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.463 7.904 -6.554 1.00 0.00 H new ATOM 1006 N LYS A 69 -5.573 1.530 -8.799 1.00 0.00 N ATOM 1007 CA LYS A 69 -6.083 0.637 -9.827 1.00 0.00 C ATOM 1008 C LYS A 69 -6.122 1.593 -11.030 1.00 0.00 C ATOM 1009 O LYS A 69 -5.574 2.692 -10.915 1.00 0.00 O ATOM 1010 CB LYS A 69 -7.443 -0.033 -9.468 1.00 0.00 C ATOM 1011 CG LYS A 69 -7.714 -0.006 -7.962 1.00 0.00 C ATOM 1012 CD LYS A 69 -8.906 -0.841 -7.455 1.00 0.00 C ATOM 1013 CE LYS A 69 -8.969 -2.288 -7.940 1.00 0.00 C ATOM 1014 NZ LYS A 69 -9.919 -3.078 -7.085 1.00 0.00 N ATOM 0 H LYS A 69 -6.228 1.813 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.478 -0.253 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.250 0.481 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.443 -1.065 -9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.816 -0.350 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.874 1.030 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.883 -0.845 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.827 -0.339 -7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.293 -2.317 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.976 -2.736 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.955 -4.061 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.592 -3.063 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.869 -2.658 -7.142 1.00 0.00 H new ATOM 1028 N ARG A 70 -6.679 1.292 -12.160 1.00 0.00 N ATOM 1029 CA ARG A 70 -6.568 2.313 -13.188 1.00 0.00 C ATOM 1030 C ARG A 70 -7.687 2.351 -14.210 1.00 0.00 C ATOM 1031 O ARG A 70 -8.297 3.407 -14.387 1.00 0.00 O ATOM 1032 CB ARG A 70 -5.195 2.218 -13.864 1.00 0.00 C ATOM 1033 CG ARG A 70 -4.699 3.562 -14.378 1.00 0.00 C ATOM 1034 CD ARG A 70 -5.200 3.823 -15.791 1.00 0.00 C ATOM 1035 NE ARG A 70 -6.226 4.856 -15.826 1.00 0.00 N ATOM 1036 CZ ARG A 70 -7.262 4.842 -16.642 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -7.383 3.907 -17.563 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -8.170 5.785 -16.541 1.00 0.00 N ATOM 0 H ARG A 70 -7.176 0.433 -12.397 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.672 3.263 -12.664 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.472 1.816 -13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.251 1.514 -14.695 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.039 4.357 -13.715 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.609 3.581 -14.365 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.363 4.122 -16.422 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.601 2.900 -16.209 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.138 5.639 -15.179 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.670 3.183 -17.651 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.189 3.908 -18.188 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.069 6.517 -15.838 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.976 5.786 -17.166 1.00 0.00 H new ATOM 1052 N PRO A 71 -7.970 1.241 -14.896 1.00 0.00 N ATOM 1053 CA PRO A 71 -9.025 1.208 -15.907 1.00 0.00 C ATOM 1054 C PRO A 71 -10.381 1.554 -15.313 1.00 0.00 C ATOM 1055 O PRO A 71 -11.011 2.496 -15.824 1.00 0.00 O ATOM 1056 CB PRO A 71 -8.985 -0.235 -16.429 1.00 0.00 C ATOM 1057 CG PRO A 71 -7.637 -0.749 -16.037 1.00 0.00 C ATOM 1058 CD PRO A 71 -7.311 -0.065 -14.747 1.00 0.00 C ATOM 1059 OXT PRO A 71 -10.788 0.895 -14.326 1.00 0.00 O ATOM 0 HA PRO A 71 -8.872 1.943 -16.698 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.780 -0.836 -15.989 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.121 -0.268 -17.510 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.650 -1.832 -15.915 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.893 -0.523 -16.801 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.695 -0.616 -13.889 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.235 0.038 -14.604 1.00 0.00 H new TER 1067 PRO A 71 ATOM 1068 N TYR B 181 -28.676 -8.008 -0.303 1.00 0.00 N ATOM 1069 CA TYR B 181 -28.452 -6.502 -0.169 1.00 0.00 C ATOM 1070 C TYR B 181 -27.857 -6.034 1.157 1.00 0.00 C ATOM 1071 O TYR B 181 -27.557 -6.815 2.042 1.00 0.00 O ATOM 1072 CB TYR B 181 -29.772 -5.744 -0.310 1.00 0.00 C ATOM 1073 CG TYR B 181 -30.873 -6.406 0.463 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -30.919 -6.390 1.858 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -31.835 -7.107 -0.213 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -31.920 -7.061 2.539 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -32.833 -7.769 0.460 1.00 0.00 C ATOM 1078 CZ TYR B 181 -32.868 -7.746 1.835 1.00 0.00 C ATOM 1079 OH TYR B 181 -33.860 -8.406 2.511 1.00 0.00 O ATOM 0 HA TYR B 181 -27.736 -6.291 -0.963 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -29.644 -4.720 0.042 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -30.049 -5.687 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -30.166 -5.849 2.412 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -31.809 -7.140 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -31.951 -7.043 3.618 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -33.590 -8.308 -0.090 1.00 0.00 H new ATOM 0 HH TYR B 181 -34.457 -8.844 1.869 1.00 0.00 H new ATOM 1091 N ARG B 182 -27.697 -4.696 1.242 1.00 0.00 N ATOM 1092 CA ARG B 182 -27.112 -4.069 2.417 1.00 0.00 C ATOM 1093 C ARG B 182 -25.620 -4.552 2.353 1.00 0.00 C ATOM 1094 O ARG B 182 -24.987 -4.151 1.368 1.00 0.00 O ATOM 1095 CB ARG B 182 -28.088 -4.291 3.668 1.00 0.00 C ATOM 1096 CG ARG B 182 -27.626 -5.018 4.953 1.00 0.00 C ATOM 1097 CD ARG B 182 -28.615 -6.137 5.236 1.00 0.00 C ATOM 1098 NE ARG B 182 -28.153 -7.287 6.060 1.00 0.00 N ATOM 1099 CZ ARG B 182 -29.041 -8.089 6.651 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -30.253 -7.617 6.849 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -28.728 -9.291 7.145 1.00 0.00 N ATOM 0 H ARG B 182 -27.968 -4.043 0.507 1.00 0.00 H new ATOM 0 HA ARG B 182 -27.037 -2.985 2.501 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -28.436 -3.304 3.974 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -28.957 -4.834 3.296 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -26.621 -5.420 4.824 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -27.586 -4.323 5.792 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -29.482 -5.699 5.731 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -28.958 -6.529 4.279 1.00 0.00 H new ATOM 0 HE ARG B 182 -27.155 -7.463 6.173 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -30.486 -6.669 6.554 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -30.960 -8.199 7.298 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -27.770 -9.636 7.080 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -29.447 -9.864 7.587 1.00 0.00 H new ATOM 1115 N GLY B 183 -25.026 -5.415 3.219 1.00 0.00 N ATOM 1116 CA GLY B 183 -23.604 -5.866 3.018 1.00 0.00 C ATOM 1117 C GLY B 183 -22.913 -5.444 1.739 1.00 0.00 C ATOM 1118 O GLY B 183 -22.690 -6.247 0.825 1.00 0.00 O ATOM 0 H GLY B 183 -25.484 -5.808 4.041 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -23.013 -5.499 3.857 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -23.586 -6.955 3.067 1.00 0.00 H new ATOM 1122 N TRP B 184 -22.490 -4.202 1.730 1.00 0.00 N ATOM 1123 CA TRP B 184 -21.723 -3.666 0.641 1.00 0.00 C ATOM 1124 C TRP B 184 -20.318 -4.253 0.850 1.00 0.00 C ATOM 1125 O TRP B 184 -20.185 -5.466 1.075 1.00 0.00 O ATOM 1126 CB TRP B 184 -21.740 -2.122 0.746 1.00 0.00 C ATOM 1127 CG TRP B 184 -22.978 -1.484 1.395 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -23.060 -0.864 2.625 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -24.287 -1.347 0.816 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -24.330 -0.360 2.823 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -25.094 -0.641 1.731 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -24.850 -1.753 -0.389 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -26.419 -0.331 1.480 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -26.173 -1.446 -0.639 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -26.942 -0.729 0.287 1.00 0.00 C ATOM 0 H TRP B 184 -22.671 -3.537 2.482 1.00 0.00 H new ATOM 0 HA TRP B 184 -22.103 -3.916 -0.350 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -20.862 -1.811 1.312 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -21.634 -1.712 -0.258 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -22.247 -0.784 3.332 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -24.645 0.142 3.653 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -24.264 -2.298 -1.115 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -27.016 0.206 2.202 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -26.624 -1.765 -1.567 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -27.968 -0.488 0.051 1.00 0.00 H new ATOM 1146 N LYS B 185 -19.291 -3.431 0.902 1.00 0.00 N ATOM 1147 CA LYS B 185 -17.992 -3.955 1.251 1.00 0.00 C ATOM 1148 C LYS B 185 -17.243 -3.070 2.211 1.00 0.00 C ATOM 1149 O LYS B 185 -17.393 -1.854 2.263 1.00 0.00 O ATOM 1150 CB LYS B 185 -17.011 -4.286 0.110 1.00 0.00 C ATOM 1151 CG LYS B 185 -17.018 -3.398 -1.103 1.00 0.00 C ATOM 1152 CD LYS B 185 -17.384 -1.964 -0.808 1.00 0.00 C ATOM 1153 CE LYS B 185 -16.283 -1.007 -1.234 1.00 0.00 C ATOM 1154 NZ LYS B 185 -16.707 0.407 -1.056 1.00 0.00 N ATOM 0 H LYS B 185 -19.327 -2.429 0.713 1.00 0.00 H new ATOM 0 HA LYS B 185 -18.294 -4.904 1.695 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -16.003 -4.279 0.524 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -17.213 -5.305 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -16.031 -3.423 -1.566 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -17.722 -3.800 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -18.309 -1.710 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -17.575 -1.849 0.259 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -15.384 -1.197 -0.648 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -16.026 -1.185 -2.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -15.938 1.040 -1.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -17.551 0.592 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -16.929 0.579 -0.055 1.00 0.00 H new ATOM 1168 N HIS B 186 -16.350 -3.795 2.837 1.00 0.00 N ATOM 1169 CA HIS B 186 -15.326 -3.331 3.755 1.00 0.00 C ATOM 1170 C HIS B 186 -14.067 -3.767 2.987 1.00 0.00 C ATOM 1171 O HIS B 186 -13.160 -4.433 3.466 1.00 0.00 O ATOM 1172 CB HIS B 186 -15.545 -4.001 5.119 1.00 0.00 C ATOM 1173 CG HIS B 186 -16.261 -5.269 4.921 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -15.782 -6.186 4.039 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -17.486 -5.670 5.294 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -16.686 -7.115 3.856 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -17.744 -6.824 4.610 1.00 0.00 N ATOM 0 H HIS B 186 -16.313 -4.807 2.711 1.00 0.00 H new ATOM 0 HA HIS B 186 -15.296 -2.270 4.003 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -14.587 -4.182 5.607 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -16.118 -3.344 5.773 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -18.140 -5.177 5.998 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -16.590 -7.971 3.205 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -18.603 -7.371 4.667 1.00 0.00 H new ATOM 1186 N TRP B 187 -14.169 -3.440 1.668 1.00 0.00 N ATOM 1187 CA TRP B 187 -13.213 -3.788 0.643 1.00 0.00 C ATOM 1188 C TRP B 187 -12.923 -2.630 -0.304 1.00 0.00 C ATOM 1189 O TRP B 187 -13.772 -2.176 -1.062 1.00 0.00 O ATOM 1190 CB TRP B 187 -13.760 -4.967 -0.161 1.00 0.00 C ATOM 1191 CG TRP B 187 -13.069 -6.220 0.155 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -12.125 -6.378 1.112 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -13.244 -7.489 -0.474 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -11.639 -7.644 1.076 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -12.312 -8.351 0.122 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -14.081 -7.978 -1.486 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -12.172 -9.667 -0.265 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -13.952 -9.300 -1.863 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -13.000 -10.130 -1.252 1.00 0.00 C ATOM 0 H TRP B 187 -14.958 -2.907 1.303 1.00 0.00 H new ATOM 0 HA TRP B 187 -12.277 -4.047 1.137 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -14.825 -5.080 0.042 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -13.659 -4.757 -1.226 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -11.806 -5.610 1.802 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -10.891 -8.009 1.666 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -14.809 -7.336 -1.960 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -11.435 -10.310 0.194 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -14.591 -9.700 -2.637 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -12.918 -11.159 -1.568 1.00 0.00 H new ATOM 1210 N VAL B 188 -11.683 -2.233 -0.292 1.00 0.00 N ATOM 1211 CA VAL B 188 -11.201 -1.206 -1.172 1.00 0.00 C ATOM 1212 C VAL B 188 -9.719 -1.404 -1.364 1.00 0.00 C ATOM 1213 O VAL B 188 -9.299 -1.793 -2.447 1.00 0.00 O ATOM 1214 CB VAL B 188 -11.451 0.258 -0.717 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -10.918 1.173 -1.802 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -12.926 0.565 -0.480 1.00 0.00 C ATOM 0 H VAL B 188 -10.973 -2.615 0.333 1.00 0.00 H new ATOM 0 HA VAL B 188 -11.776 -1.319 -2.091 1.00 0.00 H new ATOM 0 HB VAL B 188 -10.944 0.412 0.235 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.078 2.212 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -9.851 0.994 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -11.441 0.972 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -13.036 1.603 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -13.484 0.406 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -13.314 -0.094 0.297 1.00 0.00 H new ATOM 1226 N TYR B 189 -8.961 -1.142 -0.288 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.504 -1.273 -0.266 1.00 0.00 C ATOM 1228 C TYR B 189 -6.849 -0.884 -1.596 1.00 0.00 C ATOM 1229 O TYR B 189 -6.992 -1.582 -2.598 1.00 0.00 O ATOM 1230 CB TYR B 189 -7.081 -2.682 0.132 1.00 0.00 C ATOM 1231 CG TYR B 189 -5.581 -2.863 0.068 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -4.732 -1.840 0.462 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -5.008 -4.034 -0.395 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -3.356 -1.977 0.403 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -3.629 -4.180 -0.457 1.00 0.00 C ATOM 1236 CZ TYR B 189 -2.812 -3.151 -0.057 1.00 0.00 C ATOM 1237 OH TYR B 189 -1.455 -3.301 -0.116 1.00 0.00 O ATOM 0 H TYR B 189 -9.352 -0.829 0.601 1.00 0.00 H new ATOM 0 HA TYR B 189 -7.151 -0.569 0.487 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -7.429 -2.893 1.143 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -7.562 -3.405 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -5.155 -0.914 0.824 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -5.644 -4.847 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -2.715 -1.166 0.716 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -3.199 -5.102 -0.819 1.00 0.00 H new ATOM 0 HH TYR B 189 -1.167 -3.945 0.564 1.00 0.00 H new ATOM 1247 N TYR B 190 -6.124 0.237 -1.562 1.00 0.00 N ATOM 1248 CA TYR B 190 -5.419 0.791 -2.726 1.00 0.00 C ATOM 1249 C TYR B 190 -6.120 2.071 -3.219 1.00 0.00 C ATOM 1250 O TYR B 190 -5.771 2.627 -4.260 1.00 0.00 O ATOM 1251 CB TYR B 190 -5.324 -0.250 -3.834 1.00 0.00 C ATOM 1252 CG TYR B 190 -4.352 0.055 -4.935 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -3.107 0.636 -4.711 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -4.686 -0.282 -6.222 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -2.224 0.861 -5.759 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -3.819 -0.056 -7.272 1.00 0.00 C ATOM 1257 CZ TYR B 190 -2.584 0.516 -7.036 1.00 0.00 C ATOM 1258 OH TYR B 190 -1.694 0.719 -8.065 1.00 0.00 O ATOM 0 H TYR B 190 -6.007 0.794 -0.716 1.00 0.00 H new ATOM 0 HA TYR B 190 -4.405 1.058 -2.429 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -5.049 -1.205 -3.387 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -6.313 -0.377 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -2.824 0.916 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -5.647 -0.734 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -1.258 1.306 -5.569 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -4.106 -0.326 -8.277 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.181 0.765 -8.914 1.00 0.00 H new ATOM 1268 N THR B 191 -7.087 2.539 -2.411 1.00 0.00 N ATOM 1269 CA THR B 191 -7.855 3.773 -2.649 1.00 0.00 C ATOM 1270 C THR B 191 -8.914 3.673 -3.753 1.00 0.00 C ATOM 1271 O THR B 191 -8.761 2.977 -4.757 1.00 0.00 O ATOM 1272 CB THR B 191 -6.938 4.987 -2.882 1.00 0.00 C ATOM 1273 OG1 THR B 191 -7.005 5.447 -4.218 1.00 0.00 O ATOM 1274 CG2 THR B 191 -5.483 4.733 -2.560 1.00 0.00 C ATOM 0 H THR B 191 -7.362 2.058 -1.555 1.00 0.00 H new ATOM 0 HA THR B 191 -8.411 3.922 -1.723 1.00 0.00 H new ATOM 0 HB THR B 191 -7.318 5.739 -2.191 1.00 0.00 H new ATOM 0 HG1 THR B 191 -7.463 6.313 -4.243 1.00 0.00 H new ATOM 0 HG21 THR B 191 -4.905 5.637 -2.751 1.00 0.00 H new ATOM 0 HG22 THR B 191 -5.386 4.455 -1.511 1.00 0.00 H new ATOM 0 HG23 THR B 191 -5.108 3.923 -3.186 1.00 0.00 H new ATOM 1282 N CYS B 192 -9.995 4.415 -3.518 1.00 0.00 N ATOM 1283 CA CYS B 192 -11.170 4.522 -4.414 1.00 0.00 C ATOM 1284 C CYS B 192 -12.276 5.221 -3.679 1.00 0.00 C ATOM 1285 O CYS B 192 -13.032 6.015 -4.233 1.00 0.00 O ATOM 1286 CB CYS B 192 -11.757 3.166 -4.838 1.00 0.00 C ATOM 1287 SG CYS B 192 -12.943 2.426 -3.616 1.00 0.00 S ATOM 0 H CYS B 192 -10.091 4.981 -2.675 1.00 0.00 H new ATOM 0 HA CYS B 192 -10.818 5.051 -5.300 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -12.268 3.288 -5.793 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -10.939 2.465 -5.001 1.00 0.00 H new ATOM 1292 N CYS B 193 -12.388 4.827 -2.426 1.00 0.00 N ATOM 1293 CA CYS B 193 -13.413 5.292 -1.548 1.00 0.00 C ATOM 1294 C CYS B 193 -12.873 5.233 -0.104 1.00 0.00 C ATOM 1295 O CYS B 193 -11.655 5.347 0.066 1.00 0.00 O ATOM 1296 CB CYS B 193 -14.632 4.410 -1.829 1.00 0.00 C ATOM 1297 SG CYS B 193 -14.605 3.640 -3.518 1.00 0.00 S ATOM 0 H CYS B 193 -11.749 4.160 -1.992 1.00 0.00 H new ATOM 0 HA CYS B 193 -13.713 6.329 -1.699 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -14.682 3.621 -1.078 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -15.537 5.008 -1.724 1.00 0.00 H new ATOM 1302 N PRO B 194 -13.704 5.098 0.959 1.00 0.00 N ATOM 1303 CA PRO B 194 -13.170 5.093 2.331 1.00 0.00 C ATOM 1304 C PRO B 194 -12.177 3.939 2.660 1.00 0.00 C ATOM 1305 O PRO B 194 -11.428 3.485 1.789 1.00 0.00 O ATOM 1306 CB PRO B 194 -14.403 5.130 3.241 1.00 0.00 C ATOM 1307 CG PRO B 194 -15.612 5.047 2.361 1.00 0.00 C ATOM 1308 CD PRO B 194 -15.169 4.998 0.919 1.00 0.00 C ATOM 0 HA PRO B 194 -12.527 5.959 2.485 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -14.384 4.299 3.947 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -14.419 6.048 3.829 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -16.195 4.159 2.606 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -16.258 5.909 2.527 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -15.487 4.071 0.441 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -15.604 5.817 0.346 1.00 0.00 H new ATOM 1316 N ASP B 195 -12.088 3.558 3.939 1.00 0.00 N ATOM 1317 CA ASP B 195 -11.087 2.578 4.409 1.00 0.00 C ATOM 1318 C ASP B 195 -11.484 1.073 4.378 1.00 0.00 C ATOM 1319 O ASP B 195 -12.645 0.695 4.228 1.00 0.00 O ATOM 1320 CB ASP B 195 -10.691 2.933 5.862 1.00 0.00 C ATOM 1321 CG ASP B 195 -10.864 4.381 6.272 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -11.975 4.933 6.107 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -9.888 4.950 6.798 1.00 0.00 O ATOM 0 H ASP B 195 -12.698 3.913 4.675 1.00 0.00 H new ATOM 0 HA ASP B 195 -10.275 2.667 3.687 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -11.281 2.314 6.538 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -9.646 2.659 6.008 1.00 0.00 H new ATOM 1328 N THR B 196 -10.441 0.233 4.600 1.00 0.00 N ATOM 1329 CA THR B 196 -10.531 -1.237 4.691 1.00 0.00 C ATOM 1330 C THR B 196 -10.001 -1.763 6.031 1.00 0.00 C ATOM 1331 O THR B 196 -9.515 -2.898 6.105 1.00 0.00 O ATOM 1332 CB THR B 196 -9.706 -1.895 3.594 1.00 0.00 C ATOM 1333 OG1 THR B 196 -8.498 -1.199 3.345 1.00 0.00 O ATOM 1334 CG2 THR B 196 -10.442 -1.970 2.312 1.00 0.00 C ATOM 0 H THR B 196 -9.488 0.576 4.724 1.00 0.00 H new ATOM 0 HA THR B 196 -11.588 -1.483 4.589 1.00 0.00 H new ATOM 0 HB THR B 196 -9.492 -2.898 3.963 1.00 0.00 H new ATOM 0 HG1 THR B 196 -8.635 -0.554 2.620 1.00 0.00 H new ATOM 0 HG21 THR B 196 -9.814 -2.447 1.559 1.00 0.00 H new ATOM 0 HG22 THR B 196 -11.352 -2.554 2.448 1.00 0.00 H new ATOM 0 HG23 THR B 196 -10.703 -0.964 1.983 1.00 0.00 H new ATOM 1342 N PRO B 197 -10.077 -0.963 7.105 1.00 0.00 N ATOM 1343 CA PRO B 197 -9.605 -1.362 8.415 1.00 0.00 C ATOM 1344 C PRO B 197 -10.701 -1.986 9.267 1.00 0.00 C ATOM 1345 O PRO B 197 -10.428 -2.450 10.374 1.00 0.00 O ATOM 1346 CB PRO B 197 -9.202 -0.025 9.008 1.00 0.00 C ATOM 1347 CG PRO B 197 -10.257 0.896 8.510 1.00 0.00 C ATOM 1348 CD PRO B 197 -10.626 0.396 7.148 1.00 0.00 C ATOM 0 HA PRO B 197 -8.818 -2.115 8.368 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -9.177 -0.058 10.097 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -8.210 0.281 8.676 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -11.121 0.896 9.174 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -9.891 1.922 8.464 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -11.706 0.394 7.003 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -10.200 1.023 6.364 1.00 0.00 H new ATOM 1356 N TYR B 198 -11.937 -1.976 8.768 1.00 0.00 N ATOM 1357 CA TYR B 198 -13.051 -2.542 9.522 1.00 0.00 C ATOM 1358 C TYR B 198 -13.118 -4.063 9.323 1.00 0.00 C ATOM 1359 O TYR B 198 -12.475 -4.579 8.377 1.00 0.00 O ATOM 1360 CB TYR B 198 -14.389 -1.908 9.113 1.00 0.00 C ATOM 1361 CG TYR B 198 -14.878 -0.763 9.992 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -14.026 0.227 10.487 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -16.226 -0.669 10.298 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -14.518 1.272 11.261 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -16.723 0.367 11.071 1.00 0.00 C ATOM 1366 CZ TYR B 198 -15.864 1.336 11.549 1.00 0.00 C ATOM 1367 OH TYR B 198 -16.344 2.371 12.318 1.00 0.00 O ATOM 0 H TYR B 198 -12.188 -1.588 7.859 1.00 0.00 H new ATOM 0 HA TYR B 198 -12.876 -2.323 10.575 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -14.298 -1.542 8.090 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -15.151 -2.687 9.107 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -12.970 0.180 10.265 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -16.905 -1.421 9.925 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -13.847 2.031 11.635 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -17.778 0.417 11.299 1.00 0.00 H new ATOM 0 HH TYR B 198 -17.313 2.274 12.430 1.00 0.00 H new TER 1377 TYR B 198 CONECT 51 297 CONECT 218 625 CONECT 297 51 CONECT 402 454 CONECT 454 402 CONECT 625 218 CONECT 669 830 CONECT 830 669 CONECT 840 901 CONECT 901 840 CONECT 1287 1297 CONECT 1297 1287 END