HEADER TOXIN 20-JUN-08 SMS20025 TITLE NMR SOLUTION STRUCTURE OF MU-CONOTOXIN SIIIA CAVEAT 1 CHIRALITY ERROR AT CA CENTER OF PCA A 1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MU-CONOTOXIN SIIIA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: CONUS STRIATUS; SOURCE 4 ORGANISM_COMMON: STRIATED CONE; SOURCE 5 ORGANISM_TAXID: 6493; SOURCE 6 OTHER_DETAILS: SYNTHESIZED USING BOC CHEMISTRY KEYWDS CONOTOXIN, CYSTEINE KNOT, TOXIN, SODIUM CHANNEL EXPDTA SOLUTION NMR NUMMDL 17 AUTHOR R.J.LEWIS,C.I.SCHROEDER JRNL AUTH C.I.SCHROEDER,J.EKBERG,K.J.NIELSEN,D.ADAMS,M.L.LOUGHNAN, JRNL AUTH 2 L.THOMAS,D.J.ADAMS,P.F.ALEWOOD,R.J.LEWIS JRNL TITL NEURONALLY MU-CONOTOXINS FROM CONUS STRIATUS UTILIZE AN JRNL TITL 2 ALPHA-HELICAL MOTIF TO TARGET MAMMALIAN SODIUM CHANNELS JRNL REF J.BIOL.CHEM. V. 283 21621 2008 JRNL REFN ISSN 0021-9258 JRNL PMID 18522941 JRNL DOI 10.1074/JBC.M802852200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20025. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 275-298; 260-293 REMARK 210 PH : 3; 3 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : NULL; NULL REMARK 210 SAMPLE CONTENTS : 2MM SIIIA; 95% H2O/5% D2O; 2MM REMARK 210 SIIIA; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY; REMARK 210 2D DQF-COSY; 2D 1H-1H COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 750 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX; DMX; AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : UXNMR, SPARKY, DYANA REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 17 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HB2 ASN A 2 HA CYS A 20 1.20 REMARK 500 HB3 CYS A 3 HB2 SER A 9 1.43 REMARK 500 HA CYS A 3 HB2 CYS A 8 1.43 REMARK 500 HB2 CYS A 4 H CYS A 19 1.58 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 1 ASN A 5 -37.96 -152.83 REMARK 500 1 HIS A 16 10.97 -144.51 REMARK 500 2 ASN A 5 -41.23 -150.68 REMARK 500 2 HIS A 16 -29.71 -150.39 REMARK 500 3 ASN A 5 -36.96 -152.18 REMARK 500 4 ASN A 5 -36.36 -151.72 REMARK 500 4 HIS A 16 6.12 -150.33 REMARK 500 5 HIS A 16 -38.43 -150.55 REMARK 500 5 ARG A 18 41.47 -96.04 REMARK 500 6 ASN A 5 -36.97 -152.72 REMARK 500 7 CYS A 4 73.14 -117.28 REMARK 500 7 ASN A 5 28.87 -150.29 REMARK 500 7 HIS A 16 -33.83 -145.76 REMARK 500 7 ARG A 18 38.92 -98.30 REMARK 500 8 ASN A 2 90.43 34.65 REMARK 500 8 ASN A 5 -37.91 -152.81 REMARK 500 8 HIS A 16 11.00 -140.85 REMARK 500 9 ASN A 5 -34.92 -152.30 REMARK 500 9 HIS A 16 -30.07 -150.48 REMARK 500 10 ASN A 5 -37.63 -152.73 REMARK 500 10 HIS A 16 -30.26 -151.55 REMARK 500 11 ASN A 5 -37.09 -153.20 REMARK 500 11 HIS A 16 -31.07 -150.54 REMARK 500 12 ASN A 5 -43.74 -152.22 REMARK 500 13 ASN A 5 21.33 -142.50 REMARK 500 13 HIS A 16 -36.27 -150.90 REMARK 500 14 ASN A 5 -41.42 -150.50 REMARK 500 14 HIS A 16 -33.09 -151.08 REMARK 500 15 ASN A 5 -33.70 -151.45 REMARK 500 15 HIS A 16 -34.54 -151.36 REMARK 500 16 ASN A 5 -36.01 -152.25 REMARK 500 16 HIS A 16 -20.94 -140.57 REMARK 500 17 ASN A 5 -34.28 -151.84 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 1 PCA A 1 -28.2 L D WRONG HAND REMARK 500 2 PCA A 1 -28.2 L D WRONG HAND REMARK 500 3 PCA A 1 -28.2 L D WRONG HAND REMARK 500 4 PCA A 1 -28.4 L D WRONG HAND REMARK 500 5 PCA A 1 -28.2 L D WRONG HAND REMARK 500 6 PCA A 1 -28.3 L D WRONG HAND REMARK 500 7 PCA A 1 -28.4 L D WRONG HAND REMARK 500 8 PCA A 1 -28.6 L D WRONG HAND REMARK 500 9 PCA A 1 -28.2 L D WRONG HAND REMARK 500 10 PCA A 1 -28.2 L D WRONG HAND REMARK 500 11 PCA A 1 -28.3 L D WRONG HAND REMARK 500 12 PCA A 1 -28.6 L D WRONG HAND REMARK 500 13 PCA A 1 -28.2 L D WRONG HAND REMARK 500 14 PCA A 1 -28.2 L D WRONG HAND REMARK 500 15 PCA A 1 -28.3 L D WRONG HAND REMARK 500 16 PCA A 1 -28.3 L D WRONG HAND REMARK 500 17 PCA A 1 -28.2 L D WRONG HAND REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1R9I RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF PIIIA TOXIN REMARK 900 RELATED ID: 1Q2J RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR TETRODOTOXIN-RESISTANT SODIUM CHANNEL REMARK 900 BINDING BY MU-CONOTOXIN SMIIIA REMARK 900 RELATED ID: 20024 RELATED DB: BMRB REMARK 900 SOLUTION STRUCTURE OF MU-CONOTOXIN TIIIA REMARK 900 RELATED ID: 20025 RELATED DB: BMRB REMARK 999 REMARK 999 SEQUENCE REMARK 999 ACCORDING TO UNIPROT ENTRY Q86DU6, THE RESIDUE AT THIS POSITION IS REMARK 999 NATURALLY PYRROLIDONE CARBOXYLIC ACID. DBREF A 1 20 UNP Q86DU6 CM3A_CONST 52 71 SEQADV PCA A 1 UNP Q86DU6 GLN 52 SEE REMARK 999 SEQADV NH2 A 21 UNP Q86DU6 AMIDATION SEQRES 1 A 21 PCA ASN CYS CYS ASN GLY GLY CYS SER SER LYS TRP CYS SEQRES 2 A 21 ARG ASP HIS ALA ARG CYS CYS NH2 MODRES PCA A 1 GLU PYROGLUTAMIC ACID HET PCA A 1 16 HET NH2 A 21 3 HETNAM PCA PYROGLUTAMIC ACID HETNAM NH2 AMINO GROUP FORMUL 1 PCA C5 H7 N O3 FORMUL 1 NH2 H2 N HELIX 1 1 SER A 10 ALA A 17 1 8 SSBOND 1 CYS A 3 CYS A 13 1555 1555 2.02 SSBOND 2 CYS A 4 CYS A 19 1555 1555 2.03 SSBOND 3 CYS A 8 CYS A 20 1555 1555 2.05 LINK C PCA A 1 N ASN A 2 1555 1555 1.33 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 MODEL 1 HETATM 1 N PCA A 1 -11.386 1.016 -0.809 1.00 0.00 N HETATM 2 CA PCA A 1 -10.363 1.912 -1.419 1.00 0.00 C HETATM 3 CB PCA A 1 -10.588 1.718 -2.935 1.00 0.00 C HETATM 4 CG PCA A 1 -11.732 0.720 -3.086 1.00 0.00 C HETATM 5 CD PCA A 1 -12.136 0.364 -1.671 1.00 0.00 C HETATM 6 OE PCA A 1 -13.036 -0.412 -1.387 1.00 0.00 O HETATM 7 C PCA A 1 -8.965 1.948 -0.873 1.00 0.00 C HETATM 8 O PCA A 1 -7.995 1.876 -1.622 1.00 0.00 O HETATM 9 H1 PCA A 1 -12.120 0.775 -1.505 1.00 0.00 H HETATM 10 H2 PCA A 1 -11.835 1.483 0.002 1.00 0.00 H HETATM 11 H3 PCA A 1 -10.937 0.137 -0.481 1.00 0.00 H HETATM 12 HA PCA A 1 -10.736 2.906 -1.216 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.694 1.319 -3.395 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.859 2.656 -3.397 1.00 0.00 H HETATM 15 HG2 PCA A 1 -12.563 1.178 -3.606 1.00 0.00 H HETATM 16 HG3 PCA A 1 -11.391 -0.164 -3.609 1.00 0.00 H ATOM 17 N ASN A 2 -8.855 2.044 0.444 1.00 0.00 N ATOM 18 CA ASN A 2 -7.559 2.072 1.107 1.00 0.00 C ATOM 19 C ASN A 2 -6.893 0.701 1.024 1.00 0.00 C ATOM 20 O ASN A 2 -7.257 -0.221 1.738 1.00 0.00 O ATOM 21 CB ASN A 2 -7.719 2.511 2.573 1.00 0.00 C ATOM 22 CG ASN A 2 -8.783 1.725 3.323 1.00 0.00 C ATOM 23 OD1 ASN A 2 -9.938 1.649 2.893 1.00 0.00 O ATOM 24 ND2 ASN A 2 -8.405 1.147 4.454 1.00 0.00 N ATOM 25 H ASN A 2 -9.665 2.085 0.997 1.00 0.00 H ATOM 26 HA ASN A 2 -6.939 2.790 0.590 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.776 2.370 3.086 1.00 0.00 H ATOM 28 HB3 ASN A 2 -7.982 3.556 2.600 1.00 0.00 H ATOM 29 HD21 ASN A 2 -7.473 1.257 4.743 1.00 0.00 H ATOM 30 HD22 ASN A 2 -9.066 0.630 4.954 1.00 0.00 H ATOM 31 N CYS A 3 -5.950 0.558 0.107 1.00 0.00 N ATOM 32 CA CYS A 3 -5.253 -0.709 -0.091 1.00 0.00 C ATOM 33 C CYS A 3 -3.828 -0.731 0.505 1.00 0.00 C ATOM 34 O CYS A 3 -3.301 -1.778 0.881 1.00 0.00 O ATOM 35 CB CYS A 3 -5.207 -1.022 -1.581 1.00 0.00 C ATOM 36 SG CYS A 3 -4.418 0.255 -2.596 1.00 0.00 S ATOM 37 H CYS A 3 -5.729 1.320 -0.472 1.00 0.00 H ATOM 38 HA CYS A 3 -5.835 -1.475 0.398 1.00 0.00 H ATOM 39 HB2 CYS A 3 -4.660 -1.940 -1.730 1.00 0.00 H ATOM 40 HB3 CYS A 3 -6.217 -1.151 -1.942 1.00 0.00 H ATOM 41 N CYS A 4 -3.193 0.426 0.485 1.00 0.00 N ATOM 42 CA CYS A 4 -1.804 0.614 0.903 1.00 0.00 C ATOM 43 C CYS A 4 -1.569 0.682 2.414 1.00 0.00 C ATOM 44 O CYS A 4 -1.346 1.755 2.963 1.00 0.00 O ATOM 45 CB CYS A 4 -1.293 1.901 0.284 1.00 0.00 C ATOM 46 SG CYS A 4 -1.975 2.307 -1.345 1.00 0.00 S ATOM 47 H CYS A 4 -3.652 1.177 0.116 1.00 0.00 H ATOM 48 HA CYS A 4 -1.228 -0.203 0.502 1.00 0.00 H ATOM 49 HB2 CYS A 4 -1.529 2.722 0.944 1.00 0.00 H ATOM 50 HB3 CYS A 4 -0.219 1.834 0.180 1.00 0.00 H ATOM 51 N ASN A 5 -1.587 -0.455 3.067 1.00 0.00 N ATOM 52 CA ASN A 5 -1.327 -0.533 4.507 1.00 0.00 C ATOM 53 C ASN A 5 -0.773 -1.900 4.782 1.00 0.00 C ATOM 54 O ASN A 5 0.133 -2.094 5.584 1.00 0.00 O ATOM 55 CB ASN A 5 -2.592 -0.300 5.332 1.00 0.00 C ATOM 56 CG ASN A 5 -2.331 -0.223 6.822 1.00 0.00 C ATOM 57 OD1 ASN A 5 -1.457 0.512 7.274 1.00 0.00 O ATOM 58 ND2 ASN A 5 -3.112 -0.959 7.595 1.00 0.00 N ATOM 59 H ASN A 5 -1.743 -1.280 2.571 1.00 0.00 H ATOM 60 HA ASN A 5 -0.583 0.210 4.759 1.00 0.00 H ATOM 61 HB2 ASN A 5 -3.047 0.629 5.022 1.00 0.00 H ATOM 62 HB3 ASN A 5 -3.287 -1.108 5.149 1.00 0.00 H ATOM 63 HD21 ASN A 5 -3.803 -1.506 7.170 1.00 0.00 H ATOM 64 HD22 ASN A 5 -2.975 -0.913 8.560 1.00 0.00 H ATOM 65 N GLY A 6 -1.338 -2.845 4.062 1.00 0.00 N ATOM 66 CA GLY A 6 -0.920 -4.216 4.175 1.00 0.00 C ATOM 67 C GLY A 6 -1.443 -5.025 3.025 1.00 0.00 C ATOM 68 O GLY A 6 -1.691 -6.218 3.157 1.00 0.00 O ATOM 69 H GLY A 6 -2.051 -2.598 3.429 1.00 0.00 H ATOM 70 HA2 GLY A 6 0.156 -4.256 4.173 1.00 0.00 H ATOM 71 HA3 GLY A 6 -1.293 -4.629 5.099 1.00 0.00 H ATOM 72 N GLY A 7 -1.624 -4.362 1.886 1.00 0.00 N ATOM 73 CA GLY A 7 -2.138 -5.047 0.729 1.00 0.00 C ATOM 74 C GLY A 7 -3.611 -5.274 0.877 1.00 0.00 C ATOM 75 O GLY A 7 -4.139 -6.287 0.432 1.00 0.00 O ATOM 76 H GLY A 7 -1.423 -3.398 1.838 1.00 0.00 H ATOM 77 HA2 GLY A 7 -1.953 -4.448 -0.152 1.00 0.00 H ATOM 78 HA3 GLY A 7 -1.640 -5.999 0.626 1.00 0.00 H ATOM 79 N CYS A 8 -4.257 -4.304 1.524 1.00 0.00 N ATOM 80 CA CYS A 8 -5.686 -4.343 1.775 1.00 0.00 C ATOM 81 C CYS A 8 -6.419 -4.717 0.480 1.00 0.00 C ATOM 82 O CYS A 8 -7.109 -5.731 0.416 1.00 0.00 O ATOM 83 CB CYS A 8 -6.139 -2.971 2.333 1.00 0.00 C ATOM 84 SG CYS A 8 -4.975 -2.255 3.573 1.00 0.00 S ATOM 85 H CYS A 8 -3.744 -3.538 1.851 1.00 0.00 H ATOM 86 HA CYS A 8 -5.873 -5.105 2.512 1.00 0.00 H ATOM 87 HB2 CYS A 8 -6.226 -2.268 1.518 1.00 0.00 H ATOM 88 HB3 CYS A 8 -7.100 -3.084 2.811 1.00 0.00 H ATOM 89 N SER A 9 -6.229 -3.915 -0.559 1.00 0.00 N ATOM 90 CA SER A 9 -6.827 -4.197 -1.861 1.00 0.00 C ATOM 91 C SER A 9 -5.805 -4.774 -2.866 1.00 0.00 C ATOM 92 O SER A 9 -6.160 -5.600 -3.704 1.00 0.00 O ATOM 93 CB SER A 9 -7.510 -2.953 -2.429 1.00 0.00 C ATOM 94 OG SER A 9 -8.379 -2.376 -1.466 1.00 0.00 O ATOM 95 H SER A 9 -5.646 -3.145 -0.458 1.00 0.00 H ATOM 96 HA SER A 9 -7.585 -4.949 -1.696 1.00 0.00 H ATOM 97 HB2 SER A 9 -6.760 -2.226 -2.704 1.00 0.00 H ATOM 98 HB3 SER A 9 -8.086 -3.226 -3.300 1.00 0.00 H ATOM 99 HG SER A 9 -8.797 -3.079 -0.957 1.00 0.00 H ATOM 100 N SER A 10 -4.542 -4.305 -2.820 1.00 0.00 N ATOM 101 CA SER A 10 -3.522 -4.769 -3.778 1.00 0.00 C ATOM 102 C SER A 10 -2.088 -4.741 -3.210 1.00 0.00 C ATOM 103 O SER A 10 -1.820 -4.131 -2.171 1.00 0.00 O ATOM 104 CB SER A 10 -3.587 -3.921 -5.051 1.00 0.00 C ATOM 105 OG SER A 10 -4.867 -4.005 -5.654 1.00 0.00 O ATOM 106 H SER A 10 -4.305 -3.625 -2.163 1.00 0.00 H ATOM 107 HA SER A 10 -3.764 -5.788 -4.035 1.00 0.00 H ATOM 108 HB2 SER A 10 -3.386 -2.890 -4.805 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.847 -4.275 -5.754 1.00 0.00 H ATOM 110 HG SER A 10 -5.401 -4.663 -5.187 1.00 0.00 H ATOM 111 N LYS A 11 -1.182 -5.439 -3.914 1.00 0.00 N ATOM 112 CA LYS A 11 0.233 -5.570 -3.533 1.00 0.00 C ATOM 113 C LYS A 11 1.005 -4.252 -3.610 1.00 0.00 C ATOM 114 O LYS A 11 1.700 -3.904 -2.657 1.00 0.00 O ATOM 115 CB LYS A 11 0.914 -6.629 -4.418 1.00 0.00 C ATOM 116 CG LYS A 11 2.336 -7.006 -3.990 1.00 0.00 C ATOM 117 CD LYS A 11 3.397 -6.102 -4.615 1.00 0.00 C ATOM 118 CE LYS A 11 4.804 -6.524 -4.207 1.00 0.00 C ATOM 119 NZ LYS A 11 5.855 -5.654 -4.810 1.00 0.00 N ATOM 120 H LYS A 11 -1.485 -5.903 -4.714 1.00 0.00 H ATOM 121 HA LYS A 11 0.258 -5.916 -2.511 1.00 0.00 H ATOM 122 HB2 LYS A 11 0.314 -7.526 -4.404 1.00 0.00 H ATOM 123 HB3 LYS A 11 0.957 -6.256 -5.431 1.00 0.00 H ATOM 124 HG2 LYS A 11 2.406 -6.929 -2.916 1.00 0.00 H ATOM 125 HG3 LYS A 11 2.527 -8.027 -4.289 1.00 0.00 H ATOM 126 HD2 LYS A 11 3.314 -6.155 -5.690 1.00 0.00 H ATOM 127 HD3 LYS A 11 3.227 -5.086 -4.289 1.00 0.00 H ATOM 128 HE2 LYS A 11 4.883 -6.472 -3.131 1.00 0.00 H ATOM 129 HE3 LYS A 11 4.965 -7.543 -4.528 1.00 0.00 H ATOM 130 HZ1 LYS A 11 6.602 -6.236 -5.237 1.00 0.00 H ATOM 131 HZ2 LYS A 11 6.287 -5.044 -4.073 1.00 0.00 H ATOM 132 HZ3 LYS A 11 5.442 -5.044 -5.543 1.00 0.00 H ATOM 133 N TRP A 12 0.903 -3.529 -4.737 1.00 0.00 N ATOM 134 CA TRP A 12 1.624 -2.253 -4.901 1.00 0.00 C ATOM 135 C TRP A 12 1.357 -1.363 -3.719 1.00 0.00 C ATOM 136 O TRP A 12 2.230 -0.648 -3.239 1.00 0.00 O ATOM 137 CB TRP A 12 1.203 -1.520 -6.197 1.00 0.00 C ATOM 138 CG TRP A 12 1.716 -0.096 -6.304 1.00 0.00 C ATOM 139 CD1 TRP A 12 2.783 0.361 -7.027 1.00 0.00 C ATOM 140 CD2 TRP A 12 1.176 1.052 -5.638 1.00 0.00 C ATOM 141 NE1 TRP A 12 2.924 1.725 -6.851 1.00 0.00 N ATOM 142 CE2 TRP A 12 1.945 2.168 -5.994 1.00 0.00 C ATOM 143 CE3 TRP A 12 0.109 1.223 -4.773 1.00 0.00 C ATOM 144 CZ2 TRP A 12 1.667 3.450 -5.500 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -0.171 2.477 -4.277 1.00 0.00 C ATOM 146 CH2 TRP A 12 0.600 3.581 -4.638 1.00 0.00 C ATOM 147 H TRP A 12 0.344 -3.859 -5.469 1.00 0.00 H ATOM 148 HA TRP A 12 2.671 -2.462 -4.933 1.00 0.00 H ATOM 149 HB2 TRP A 12 1.573 -2.067 -7.045 1.00 0.00 H ATOM 150 HB3 TRP A 12 0.124 -1.487 -6.244 1.00 0.00 H ATOM 151 HD1 TRP A 12 3.410 -0.262 -7.647 1.00 0.00 H ATOM 152 HE1 TRP A 12 3.612 2.283 -7.269 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.483 0.374 -4.478 1.00 0.00 H ATOM 154 HZ2 TRP A 12 2.259 4.311 -5.775 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -1.000 2.614 -3.599 1.00 0.00 H ATOM 156 HH2 TRP A 12 0.344 4.547 -4.210 1.00 0.00 H ATOM 157 N CYS A 13 0.131 -1.412 -3.279 1.00 0.00 N ATOM 158 CA CYS A 13 -0.325 -0.620 -2.179 1.00 0.00 C ATOM 159 C CYS A 13 0.523 -0.820 -0.930 1.00 0.00 C ATOM 160 O CYS A 13 0.939 0.143 -0.299 1.00 0.00 O ATOM 161 CB CYS A 13 -1.769 -0.980 -1.922 1.00 0.00 C ATOM 162 SG CYS A 13 -2.839 -0.743 -3.371 1.00 0.00 S ATOM 163 H CYS A 13 -0.507 -2.000 -3.729 1.00 0.00 H ATOM 164 HA CYS A 13 -0.274 0.417 -2.472 1.00 0.00 H ATOM 165 HB2 CYS A 13 -1.829 -2.019 -1.632 1.00 0.00 H ATOM 166 HB3 CYS A 13 -2.152 -0.363 -1.124 1.00 0.00 H ATOM 167 N ARG A 14 0.808 -2.060 -0.581 1.00 0.00 N ATOM 168 CA ARG A 14 1.631 -2.314 0.603 1.00 0.00 C ATOM 169 C ARG A 14 3.095 -2.235 0.255 1.00 0.00 C ATOM 170 O ARG A 14 3.969 -2.362 1.108 1.00 0.00 O ATOM 171 CB ARG A 14 1.308 -3.670 1.225 1.00 0.00 C ATOM 172 CG ARG A 14 1.428 -4.865 0.288 1.00 0.00 C ATOM 173 CD ARG A 14 2.674 -5.685 0.580 1.00 0.00 C ATOM 174 NE ARG A 14 3.875 -5.075 0.020 1.00 0.00 N ATOM 175 CZ ARG A 14 5.115 -5.449 0.333 1.00 0.00 C ATOM 176 NH1 ARG A 14 5.306 -6.321 1.315 1.00 0.00 N ATOM 177 NH2 ARG A 14 6.162 -4.923 -0.299 1.00 0.00 N ATOM 178 H ARG A 14 0.485 -2.811 -1.138 1.00 0.00 H ATOM 179 HA ARG A 14 1.409 -1.543 1.323 1.00 0.00 H ATOM 180 HB2 ARG A 14 1.974 -3.832 2.058 1.00 0.00 H ATOM 181 HB3 ARG A 14 0.303 -3.634 1.590 1.00 0.00 H ATOM 182 HG2 ARG A 14 0.559 -5.495 0.411 1.00 0.00 H ATOM 183 HG3 ARG A 14 1.474 -4.508 -0.731 1.00 0.00 H ATOM 184 HD2 ARG A 14 2.791 -5.769 1.650 1.00 0.00 H ATOM 185 HD3 ARG A 14 2.549 -6.670 0.154 1.00 0.00 H ATOM 186 HE ARG A 14 3.743 -4.361 -0.643 1.00 0.00 H ATOM 187 HH11 ARG A 14 4.520 -6.687 1.816 1.00 0.00 H ATOM 188 HH12 ARG A 14 6.232 -6.611 1.562 1.00 0.00 H ATOM 189 HH21 ARG A 14 6.030 -4.237 -1.025 1.00 0.00 H ATOM 190 HH22 ARG A 14 7.093 -5.198 -0.053 1.00 0.00 H ATOM 191 N ASP A 15 3.343 -2.069 -1.017 1.00 0.00 N ATOM 192 CA ASP A 15 4.682 -2.014 -1.538 1.00 0.00 C ATOM 193 C ASP A 15 5.200 -0.592 -1.652 1.00 0.00 C ATOM 194 O ASP A 15 6.409 -0.373 -1.653 1.00 0.00 O ATOM 195 CB ASP A 15 4.693 -2.661 -2.919 1.00 0.00 C ATOM 196 CG ASP A 15 6.082 -2.945 -3.422 1.00 0.00 C ATOM 197 OD1 ASP A 15 6.683 -3.935 -2.953 1.00 0.00 O ATOM 198 OD2 ASP A 15 6.558 -2.204 -4.302 1.00 0.00 O ATOM 199 H ASP A 15 2.589 -2.004 -1.642 1.00 0.00 H ATOM 200 HA ASP A 15 5.325 -2.575 -0.882 1.00 0.00 H ATOM 201 HB2 ASP A 15 4.152 -3.594 -2.875 1.00 0.00 H ATOM 202 HB3 ASP A 15 4.204 -2.001 -3.620 1.00 0.00 H ATOM 203 N HIS A 16 4.305 0.373 -1.838 1.00 0.00 N ATOM 204 CA HIS A 16 4.759 1.734 -2.054 1.00 0.00 C ATOM 205 C HIS A 16 3.894 2.849 -1.458 1.00 0.00 C ATOM 206 O HIS A 16 4.127 4.007 -1.807 1.00 0.00 O ATOM 207 CB HIS A 16 4.830 1.965 -3.560 1.00 0.00 C ATOM 208 CG HIS A 16 6.202 1.812 -4.150 1.00 0.00 C ATOM 209 ND1 HIS A 16 6.858 0.599 -4.263 1.00 0.00 N ATOM 210 CD2 HIS A 16 7.048 2.738 -4.660 1.00 0.00 C ATOM 211 CE1 HIS A 16 8.040 0.788 -4.813 1.00 0.00 C ATOM 212 NE2 HIS A 16 8.181 2.077 -5.065 1.00 0.00 N ATOM 213 H HIS A 16 3.350 0.156 -1.903 1.00 0.00 H ATOM 214 HA HIS A 16 5.756 1.817 -1.656 1.00 0.00 H ATOM 215 HB2 HIS A 16 4.181 1.253 -4.047 1.00 0.00 H ATOM 216 HB3 HIS A 16 4.473 2.957 -3.773 1.00 0.00 H ATOM 217 HD1 HIS A 16 6.510 -0.280 -3.975 1.00 0.00 H ATOM 218 HD2 HIS A 16 6.865 3.800 -4.735 1.00 0.00 H ATOM 219 HE1 HIS A 16 8.769 0.020 -5.024 1.00 0.00 H ATOM 220 N ALA A 17 2.909 2.580 -0.600 1.00 0.00 N ATOM 221 CA ALA A 17 2.119 3.704 -0.096 1.00 0.00 C ATOM 222 C ALA A 17 1.373 3.431 1.189 1.00 0.00 C ATOM 223 O ALA A 17 1.114 2.293 1.557 1.00 0.00 O ATOM 224 CB ALA A 17 1.152 4.174 -1.167 1.00 0.00 C ATOM 225 H ALA A 17 2.700 1.655 -0.323 1.00 0.00 H ATOM 226 HA ALA A 17 2.789 4.514 0.095 1.00 0.00 H ATOM 227 HB1 ALA A 17 0.138 4.059 -0.813 1.00 0.00 H ATOM 228 HB2 ALA A 17 1.290 3.584 -2.061 1.00 0.00 H ATOM 229 HB3 ALA A 17 1.339 5.214 -1.390 1.00 0.00 H ATOM 230 N ARG A 18 1.031 4.525 1.862 1.00 0.00 N ATOM 231 CA ARG A 18 0.277 4.482 3.102 1.00 0.00 C ATOM 232 C ARG A 18 -1.197 4.846 2.849 1.00 0.00 C ATOM 233 O ARG A 18 -1.873 5.348 3.745 1.00 0.00 O ATOM 234 CB ARG A 18 0.915 5.411 4.152 1.00 0.00 C ATOM 235 CG ARG A 18 1.114 6.856 3.699 1.00 0.00 C ATOM 236 CD ARG A 18 -0.122 7.706 3.952 1.00 0.00 C ATOM 237 NE ARG A 18 0.053 9.092 3.516 1.00 0.00 N ATOM 238 CZ ARG A 18 -0.907 10.016 3.587 1.00 0.00 C ATOM 239 NH1 ARG A 18 -2.109 9.694 4.059 1.00 0.00 N ATOM 240 NH2 ARG A 18 -0.666 11.260 3.183 1.00 0.00 N ATOM 241 H ARG A 18 1.278 5.396 1.492 1.00 0.00 H ATOM 242 HA ARG A 18 0.317 3.466 3.468 1.00 0.00 H ATOM 243 HB2 ARG A 18 0.286 5.422 5.029 1.00 0.00 H ATOM 244 HB3 ARG A 18 1.881 5.009 4.424 1.00 0.00 H ATOM 245 HG2 ARG A 18 1.945 7.281 4.242 1.00 0.00 H ATOM 246 HG3 ARG A 18 1.334 6.862 2.641 1.00 0.00 H ATOM 247 HD2 ARG A 18 -0.954 7.275 3.416 1.00 0.00 H ATOM 248 HD3 ARG A 18 -0.336 7.697 5.011 1.00 0.00 H ATOM 249 HE ARG A 18 0.933 9.343 3.160 1.00 0.00 H ATOM 250 HH11 ARG A 18 -2.296 8.756 4.362 1.00 0.00 H ATOM 251 HH12 ARG A 18 -2.833 10.385 4.115 1.00 0.00 H ATOM 252 HH21 ARG A 18 0.237 11.508 2.824 1.00 0.00 H ATOM 253 HH22 ARG A 18 -1.385 11.956 3.234 1.00 0.00 H ATOM 254 N CYS A 19 -1.687 4.623 1.620 1.00 0.00 N ATOM 255 CA CYS A 19 -3.076 4.968 1.277 1.00 0.00 C ATOM 256 C CYS A 19 -4.075 4.248 2.183 1.00 0.00 C ATOM 257 O CYS A 19 -5.161 4.757 2.447 1.00 0.00 O ATOM 258 CB CYS A 19 -3.438 4.635 -0.177 1.00 0.00 C ATOM 259 SG CYS A 19 -2.034 4.330 -1.280 1.00 0.00 S ATOM 260 H CYS A 19 -1.102 4.244 0.930 1.00 0.00 H ATOM 261 HA CYS A 19 -3.176 6.030 1.410 1.00 0.00 H ATOM 262 HB2 CYS A 19 -4.052 3.748 -0.187 1.00 0.00 H ATOM 263 HB3 CYS A 19 -4.005 5.457 -0.590 1.00 0.00 H ATOM 264 N CYS A 20 -3.713 3.052 2.642 1.00 0.00 N ATOM 265 CA CYS A 20 -4.616 2.268 3.513 1.00 0.00 C ATOM 266 C CYS A 20 -4.302 2.518 4.983 1.00 0.00 C ATOM 267 O CYS A 20 -5.088 2.176 5.863 1.00 0.00 O ATOM 268 CB CYS A 20 -4.524 0.767 3.172 1.00 0.00 C ATOM 269 SG CYS A 20 -5.662 -0.379 4.046 1.00 0.00 S ATOM 270 H CYS A 20 -2.809 2.687 2.392 1.00 0.00 H ATOM 271 HA CYS A 20 -5.623 2.606 3.319 1.00 0.00 H ATOM 272 HB2 CYS A 20 -4.714 0.647 2.118 1.00 0.00 H ATOM 273 HB3 CYS A 20 -3.515 0.435 3.377 1.00 0.00 H HETATM 274 N NH2 A 21 -3.153 3.126 5.247 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -2.324 2.615 5.144 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -3.181 4.061 5.534 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 2 HETATM 1 N PCA A 1 -9.282 -0.615 -2.123 1.00 0.00 N HETATM 2 CA PCA A 1 -8.941 0.322 -1.018 1.00 0.00 C HETATM 3 CB PCA A 1 -10.022 1.419 -1.139 1.00 0.00 C HETATM 4 CG PCA A 1 -10.917 1.025 -2.311 1.00 0.00 C HETATM 5 CD PCA A 1 -10.333 -0.271 -2.835 1.00 0.00 C HETATM 6 OE PCA A 1 -10.791 -0.899 -3.778 1.00 0.00 O HETATM 7 C PCA A 1 -7.512 0.705 -0.770 1.00 0.00 C HETATM 8 O PCA A 1 -6.746 0.894 -1.713 1.00 0.00 O HETATM 9 H1 PCA A 1 -10.252 -0.448 -2.459 1.00 0.00 H HETATM 10 H2 PCA A 1 -9.207 -1.598 -1.796 1.00 0.00 H HETATM 11 H3 PCA A 1 -8.625 -0.478 -2.918 1.00 0.00 H HETATM 12 HA PCA A 1 -9.211 -0.225 -0.126 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.561 2.376 -1.339 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.609 1.467 -0.233 1.00 0.00 H HETATM 15 HG2 PCA A 1 -11.931 0.866 -1.971 1.00 0.00 H HETATM 16 HG3 PCA A 1 -10.882 1.785 -3.080 1.00 0.00 H ATOM 17 N ASN A 2 -7.142 0.809 0.499 1.00 0.00 N ATOM 18 CA ASN A 2 -5.780 1.162 0.883 1.00 0.00 C ATOM 19 C ASN A 2 -4.809 0.043 0.508 1.00 0.00 C ATOM 20 O ASN A 2 -4.801 -1.022 1.112 1.00 0.00 O ATOM 21 CB ASN A 2 -5.716 1.465 2.386 1.00 0.00 C ATOM 22 CG ASN A 2 -6.417 0.421 3.243 1.00 0.00 C ATOM 23 OD1 ASN A 2 -7.612 0.165 3.080 1.00 0.00 O ATOM 24 ND2 ASN A 2 -5.680 -0.183 4.160 1.00 0.00 N ATOM 25 H ASN A 2 -7.801 0.632 1.209 1.00 0.00 H ATOM 26 HA ASN A 2 -5.507 2.052 0.335 1.00 0.00 H ATOM 27 HB2 ASN A 2 -4.680 1.508 2.689 1.00 0.00 H ATOM 28 HB3 ASN A 2 -6.174 2.424 2.567 1.00 0.00 H ATOM 29 HD21 ASN A 2 -4.735 0.070 4.236 1.00 0.00 H ATOM 30 HD22 ASN A 2 -6.103 -0.861 4.722 1.00 0.00 H ATOM 31 N CYS A 3 -4.033 0.281 -0.539 1.00 0.00 N ATOM 32 CA CYS A 3 -3.083 -0.705 -1.049 1.00 0.00 C ATOM 33 C CYS A 3 -1.606 -0.444 -0.660 1.00 0.00 C ATOM 34 O CYS A 3 -0.821 -1.373 -0.470 1.00 0.00 O ATOM 35 CB CYS A 3 -3.215 -0.750 -2.572 1.00 0.00 C ATOM 36 SG CYS A 3 -2.144 -1.971 -3.381 1.00 0.00 S ATOM 37 H CYS A 3 -4.126 1.137 -1.007 1.00 0.00 H ATOM 38 HA CYS A 3 -3.373 -1.667 -0.658 1.00 0.00 H ATOM 39 HB2 CYS A 3 -4.236 -0.990 -2.830 1.00 0.00 H ATOM 40 HB3 CYS A 3 -2.969 0.222 -2.975 1.00 0.00 H ATOM 41 N CYS A 4 -1.223 0.825 -0.649 1.00 0.00 N ATOM 42 CA CYS A 4 0.155 1.261 -0.424 1.00 0.00 C ATOM 43 C CYS A 4 0.529 1.565 1.028 1.00 0.00 C ATOM 44 O CYS A 4 0.458 2.705 1.471 1.00 0.00 O ATOM 45 CB CYS A 4 0.384 2.520 -1.240 1.00 0.00 C ATOM 46 SG CYS A 4 -0.511 2.605 -2.815 1.00 0.00 S ATOM 47 H CYS A 4 -1.867 1.486 -0.861 1.00 0.00 H ATOM 48 HA CYS A 4 0.811 0.493 -0.798 1.00 0.00 H ATOM 49 HB2 CYS A 4 0.083 3.374 -0.653 1.00 0.00 H ATOM 50 HB3 CYS A 4 1.437 2.601 -1.459 1.00 0.00 H ATOM 51 N ASN A 5 0.972 0.559 1.733 1.00 0.00 N ATOM 52 CA ASN A 5 1.424 0.698 3.118 1.00 0.00 C ATOM 53 C ASN A 5 2.460 -0.366 3.305 1.00 0.00 C ATOM 54 O ASN A 5 3.524 -0.166 3.882 1.00 0.00 O ATOM 55 CB ASN A 5 0.277 0.502 4.122 1.00 0.00 C ATOM 56 CG ASN A 5 0.681 0.747 5.569 1.00 0.00 C ATOM 57 OD1 ASN A 5 1.645 0.176 6.070 1.00 0.00 O ATOM 58 ND2 ASN A 5 -0.083 1.578 6.263 1.00 0.00 N ATOM 59 H ASN A 5 1.042 -0.313 1.305 1.00 0.00 H ATOM 60 HA ASN A 5 1.873 1.673 3.244 1.00 0.00 H ATOM 61 HB2 ASN A 5 -0.520 1.188 3.878 1.00 0.00 H ATOM 62 HB3 ASN A 5 -0.096 -0.510 4.040 1.00 0.00 H ATOM 63 HD21 ASN A 5 -0.860 1.980 5.816 1.00 0.00 H ATOM 64 HD22 ASN A 5 0.157 1.753 7.196 1.00 0.00 H ATOM 65 N GLY A 6 2.125 -1.503 2.742 1.00 0.00 N ATOM 66 CA GLY A 6 3.004 -2.636 2.778 1.00 0.00 C ATOM 67 C GLY A 6 2.599 -3.647 1.753 1.00 0.00 C ATOM 68 O GLY A 6 2.826 -4.842 1.919 1.00 0.00 O ATOM 69 H GLY A 6 1.260 -1.560 2.268 1.00 0.00 H ATOM 70 HA2 GLY A 6 4.006 -2.308 2.571 1.00 0.00 H ATOM 71 HA3 GLY A 6 2.968 -3.089 3.758 1.00 0.00 H ATOM 72 N GLY A 7 1.984 -3.162 0.679 1.00 0.00 N ATOM 73 CA GLY A 7 1.540 -4.055 -0.353 1.00 0.00 C ATOM 74 C GLY A 7 0.245 -4.693 0.049 1.00 0.00 C ATOM 75 O GLY A 7 0.002 -5.858 -0.244 1.00 0.00 O ATOM 76 H GLY A 7 1.815 -2.192 0.599 1.00 0.00 H ATOM 77 HA2 GLY A 7 1.400 -3.500 -1.270 1.00 0.00 H ATOM 78 HA3 GLY A 7 2.282 -4.823 -0.507 1.00 0.00 H ATOM 79 N CYS A 8 -0.573 -3.895 0.738 1.00 0.00 N ATOM 80 CA CYS A 8 -1.874 -4.325 1.226 1.00 0.00 C ATOM 81 C CYS A 8 -2.620 -5.066 0.113 1.00 0.00 C ATOM 82 O CYS A 8 -3.028 -6.213 0.284 1.00 0.00 O ATOM 83 CB CYS A 8 -2.658 -3.093 1.731 1.00 0.00 C ATOM 84 SG CYS A 8 -1.655 -1.960 2.780 1.00 0.00 S ATOM 85 H CYS A 8 -0.279 -2.983 0.933 1.00 0.00 H ATOM 86 HA CYS A 8 -1.713 -5.003 2.047 1.00 0.00 H ATOM 87 HB2 CYS A 8 -3.015 -2.527 0.883 1.00 0.00 H ATOM 88 HB3 CYS A 8 -3.500 -3.426 2.317 1.00 0.00 H ATOM 89 N SER A 9 -2.746 -4.424 -1.040 1.00 0.00 N ATOM 90 CA SER A 9 -3.379 -5.051 -2.192 1.00 0.00 C ATOM 91 C SER A 9 -2.327 -5.555 -3.203 1.00 0.00 C ATOM 92 O SER A 9 -2.494 -6.616 -3.803 1.00 0.00 O ATOM 93 CB SER A 9 -4.367 -4.091 -2.855 1.00 0.00 C ATOM 94 OG SER A 9 -5.246 -3.531 -1.889 1.00 0.00 O ATOM 95 H SER A 9 -2.368 -3.532 -1.131 1.00 0.00 H ATOM 96 HA SER A 9 -3.928 -5.906 -1.825 1.00 0.00 H ATOM 97 HB2 SER A 9 -3.824 -3.292 -3.337 1.00 0.00 H ATOM 98 HB3 SER A 9 -4.951 -4.625 -3.589 1.00 0.00 H ATOM 99 HG SER A 9 -5.285 -4.115 -1.124 1.00 0.00 H ATOM 100 N SER A 10 -1.255 -4.770 -3.413 1.00 0.00 N ATOM 101 CA SER A 10 -0.205 -5.128 -4.377 1.00 0.00 C ATOM 102 C SER A 10 1.155 -4.486 -4.036 1.00 0.00 C ATOM 103 O SER A 10 1.239 -3.544 -3.245 1.00 0.00 O ATOM 104 CB SER A 10 -0.625 -4.715 -5.790 1.00 0.00 C ATOM 105 OG SER A 10 -1.833 -5.348 -6.173 1.00 0.00 O ATOM 106 H SER A 10 -1.184 -3.924 -2.930 1.00 0.00 H ATOM 107 HA SER A 10 -0.093 -6.202 -4.351 1.00 0.00 H ATOM 108 HB2 SER A 10 -0.768 -3.646 -5.822 1.00 0.00 H ATOM 109 HB3 SER A 10 0.150 -4.994 -6.489 1.00 0.00 H ATOM 110 HG SER A 10 -2.133 -5.929 -5.460 1.00 0.00 H ATOM 111 N LYS A 11 2.213 -5.036 -4.642 1.00 0.00 N ATOM 112 CA LYS A 11 3.599 -4.595 -4.436 1.00 0.00 C ATOM 113 C LYS A 11 3.839 -3.149 -4.864 1.00 0.00 C ATOM 114 O LYS A 11 4.494 -2.405 -4.138 1.00 0.00 O ATOM 115 CB LYS A 11 4.560 -5.532 -5.193 1.00 0.00 C ATOM 116 CG LYS A 11 6.046 -5.212 -5.014 1.00 0.00 C ATOM 117 CD LYS A 11 6.575 -4.277 -6.102 1.00 0.00 C ATOM 118 CE LYS A 11 8.066 -4.004 -5.932 1.00 0.00 C ATOM 119 NZ LYS A 11 8.607 -3.121 -7.006 1.00 0.00 N ATOM 120 H LYS A 11 2.056 -5.783 -5.240 1.00 0.00 H ATOM 121 HA LYS A 11 3.809 -4.675 -3.381 1.00 0.00 H ATOM 122 HB2 LYS A 11 4.393 -6.543 -4.851 1.00 0.00 H ATOM 123 HB3 LYS A 11 4.330 -5.481 -6.247 1.00 0.00 H ATOM 124 HG2 LYS A 11 6.187 -4.740 -4.054 1.00 0.00 H ATOM 125 HG3 LYS A 11 6.606 -6.136 -5.045 1.00 0.00 H ATOM 126 HD2 LYS A 11 6.411 -4.734 -7.066 1.00 0.00 H ATOM 127 HD3 LYS A 11 6.038 -3.341 -6.049 1.00 0.00 H ATOM 128 HE2 LYS A 11 8.223 -3.526 -4.976 1.00 0.00 H ATOM 129 HE3 LYS A 11 8.595 -4.946 -5.952 1.00 0.00 H ATOM 130 HZ1 LYS A 11 8.440 -2.111 -6.768 1.00 0.00 H ATOM 131 HZ2 LYS A 11 8.147 -3.327 -7.911 1.00 0.00 H ATOM 132 HZ3 LYS A 11 9.631 -3.267 -7.108 1.00 0.00 H ATOM 133 N TRP A 12 3.330 -2.759 -6.038 1.00 0.00 N ATOM 134 CA TRP A 12 3.517 -1.391 -6.548 1.00 0.00 C ATOM 135 C TRP A 12 3.198 -0.381 -5.480 1.00 0.00 C ATOM 136 O TRP A 12 3.871 0.630 -5.333 1.00 0.00 O ATOM 137 CB TRP A 12 2.632 -1.135 -7.792 1.00 0.00 C ATOM 138 CG TRP A 12 2.496 0.324 -8.186 1.00 0.00 C ATOM 139 CD1 TRP A 12 3.164 0.995 -9.172 1.00 0.00 C ATOM 140 CD2 TRP A 12 1.633 1.286 -7.573 1.00 0.00 C ATOM 141 NE1 TRP A 12 2.754 2.315 -9.205 1.00 0.00 N ATOM 142 CE2 TRP A 12 1.814 2.515 -8.221 1.00 0.00 C ATOM 143 CE3 TRP A 12 0.728 1.205 -6.531 1.00 0.00 C ATOM 144 CZ2 TRP A 12 1.105 3.666 -7.845 1.00 0.00 C ATOM 145 CZ3 TRP A 12 0.029 2.331 -6.148 1.00 0.00 C ATOM 146 CH2 TRP A 12 0.214 3.551 -6.799 1.00 0.00 C ATOM 147 H TRP A 12 2.825 -3.401 -6.574 1.00 0.00 H ATOM 148 HA TRP A 12 4.541 -1.276 -6.810 1.00 0.00 H ATOM 149 HB2 TRP A 12 3.049 -1.663 -8.631 1.00 0.00 H ATOM 150 HB3 TRP A 12 1.640 -1.518 -7.596 1.00 0.00 H ATOM 151 HD1 TRP A 12 3.895 0.546 -9.827 1.00 0.00 H ATOM 152 HE1 TRP A 12 3.082 2.996 -9.828 1.00 0.00 H ATOM 153 HE3 TRP A 12 0.587 0.268 -6.012 1.00 0.00 H ATOM 154 HZ2 TRP A 12 1.244 4.613 -8.345 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -0.676 2.273 -5.331 1.00 0.00 H ATOM 156 HH2 TRP A 12 -0.353 4.413 -6.450 1.00 0.00 H ATOM 157 N CYS A 13 2.148 -0.664 -4.767 1.00 0.00 N ATOM 158 CA CYS A 13 1.665 0.198 -3.730 1.00 0.00 C ATOM 159 C CYS A 13 2.686 0.447 -2.630 1.00 0.00 C ATOM 160 O CYS A 13 2.887 1.581 -2.208 1.00 0.00 O ATOM 161 CB CYS A 13 0.419 -0.432 -3.159 1.00 0.00 C ATOM 162 SG CYS A 13 -0.823 -0.848 -4.414 1.00 0.00 S ATOM 163 H CYS A 13 1.651 -1.484 -4.965 1.00 0.00 H ATOM 164 HA CYS A 13 1.398 1.142 -4.179 1.00 0.00 H ATOM 165 HB2 CYS A 13 0.687 -1.344 -2.644 1.00 0.00 H ATOM 166 HB3 CYS A 13 -0.036 0.252 -2.458 1.00 0.00 H ATOM 167 N ARG A 14 3.333 -0.598 -2.162 1.00 0.00 N ATOM 168 CA ARG A 14 4.315 -0.433 -1.088 1.00 0.00 C ATOM 169 C ARG A 14 5.617 0.112 -1.622 1.00 0.00 C ATOM 170 O ARG A 14 6.468 0.596 -0.882 1.00 0.00 O ATOM 171 CB ARG A 14 4.575 -1.747 -0.392 1.00 0.00 C ATOM 172 CG ARG A 14 5.406 -2.721 -1.200 1.00 0.00 C ATOM 173 CD ARG A 14 5.817 -3.873 -0.329 1.00 0.00 C ATOM 174 NE ARG A 14 6.547 -3.405 0.849 1.00 0.00 N ATOM 175 CZ ARG A 14 6.566 -4.044 2.016 1.00 0.00 C ATOM 176 NH1 ARG A 14 5.756 -5.076 2.212 1.00 0.00 N ATOM 177 NH2 ARG A 14 7.341 -3.610 3.004 1.00 0.00 N ATOM 178 H ARG A 14 3.158 -1.497 -2.551 1.00 0.00 H ATOM 179 HA ARG A 14 3.911 0.261 -0.369 1.00 0.00 H ATOM 180 HB2 ARG A 14 5.090 -1.552 0.537 1.00 0.00 H ATOM 181 HB3 ARG A 14 3.626 -2.211 -0.176 1.00 0.00 H ATOM 182 HG2 ARG A 14 4.820 -3.089 -2.029 1.00 0.00 H ATOM 183 HG3 ARG A 14 6.289 -2.218 -1.565 1.00 0.00 H ATOM 184 HD2 ARG A 14 4.928 -4.391 -0.017 1.00 0.00 H ATOM 185 HD3 ARG A 14 6.448 -4.539 -0.898 1.00 0.00 H ATOM 186 HE ARG A 14 7.077 -2.580 0.746 1.00 0.00 H ATOM 187 HH11 ARG A 14 5.128 -5.365 1.484 1.00 0.00 H ATOM 188 HH12 ARG A 14 5.763 -5.570 3.084 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.916 -2.798 2.875 1.00 0.00 H ATOM 190 HH22 ARG A 14 7.355 -4.089 3.884 1.00 0.00 H ATOM 191 N ASP A 15 5.757 -0.026 -2.911 1.00 0.00 N ATOM 192 CA ASP A 15 6.947 0.386 -3.621 1.00 0.00 C ATOM 193 C ASP A 15 6.728 1.725 -4.316 1.00 0.00 C ATOM 194 O ASP A 15 7.497 2.114 -5.191 1.00 0.00 O ATOM 195 CB ASP A 15 7.277 -0.720 -4.632 1.00 0.00 C ATOM 196 CG ASP A 15 8.522 -0.478 -5.456 1.00 0.00 C ATOM 197 OD1 ASP A 15 9.606 -0.325 -4.874 1.00 0.00 O ATOM 198 OD2 ASP A 15 8.412 -0.515 -6.703 1.00 0.00 O ATOM 199 H ASP A 15 5.033 -0.451 -3.410 1.00 0.00 H ATOM 200 HA ASP A 15 7.753 0.476 -2.913 1.00 0.00 H ATOM 201 HB2 ASP A 15 7.411 -1.647 -4.097 1.00 0.00 H ATOM 202 HB3 ASP A 15 6.441 -0.828 -5.308 1.00 0.00 H ATOM 203 N HIS A 16 5.664 2.438 -3.950 1.00 0.00 N ATOM 204 CA HIS A 16 5.393 3.707 -4.601 1.00 0.00 C ATOM 205 C HIS A 16 4.674 4.737 -3.738 1.00 0.00 C ATOM 206 O HIS A 16 4.850 5.931 -3.977 1.00 0.00 O ATOM 207 CB HIS A 16 4.587 3.481 -5.878 1.00 0.00 C ATOM 208 CG HIS A 16 5.369 3.708 -7.136 1.00 0.00 C ATOM 209 ND1 HIS A 16 6.537 3.039 -7.432 1.00 0.00 N ATOM 210 CD2 HIS A 16 5.134 4.528 -8.186 1.00 0.00 C ATOM 211 CE1 HIS A 16 6.987 3.434 -8.606 1.00 0.00 C ATOM 212 NE2 HIS A 16 6.153 4.339 -9.086 1.00 0.00 N ATOM 213 H HIS A 16 5.055 2.096 -3.266 1.00 0.00 H ATOM 214 HA HIS A 16 6.343 4.122 -4.882 1.00 0.00 H ATOM 215 HB2 HIS A 16 4.228 2.463 -5.891 1.00 0.00 H ATOM 216 HB3 HIS A 16 3.744 4.152 -5.881 1.00 0.00 H ATOM 217 HD1 HIS A 16 6.992 2.384 -6.844 1.00 0.00 H ATOM 218 HD2 HIS A 16 4.300 5.207 -8.295 1.00 0.00 H ATOM 219 HE1 HIS A 16 7.883 3.078 -9.092 1.00 0.00 H ATOM 220 N ALA A 17 3.838 4.336 -2.776 1.00 0.00 N ATOM 221 CA ALA A 17 3.125 5.368 -2.005 1.00 0.00 C ATOM 222 C ALA A 17 2.538 4.916 -0.688 1.00 0.00 C ATOM 223 O ALA A 17 2.618 3.758 -0.301 1.00 0.00 O ATOM 224 CB ALA A 17 2.024 5.977 -2.863 1.00 0.00 C ATOM 225 H ALA A 17 3.680 3.368 -2.608 1.00 0.00 H ATOM 226 HA ALA A 17 3.815 6.147 -1.784 1.00 0.00 H ATOM 227 HB1 ALA A 17 2.037 7.052 -2.756 1.00 0.00 H ATOM 228 HB2 ALA A 17 1.065 5.596 -2.545 1.00 0.00 H ATOM 229 HB3 ALA A 17 2.189 5.717 -3.899 1.00 0.00 H ATOM 230 N ARG A 18 1.950 5.895 -0.006 1.00 0.00 N ATOM 231 CA ARG A 18 1.300 5.693 1.276 1.00 0.00 C ATOM 232 C ARG A 18 -0.228 5.638 1.117 1.00 0.00 C ATOM 233 O ARG A 18 -0.958 6.029 2.026 1.00 0.00 O ATOM 234 CB ARG A 18 1.723 6.791 2.271 1.00 0.00 C ATOM 235 CG ARG A 18 1.585 8.220 1.749 1.00 0.00 C ATOM 236 CD ARG A 18 0.173 8.759 1.924 1.00 0.00 C ATOM 237 NE ARG A 18 0.029 10.123 1.416 1.00 0.00 N ATOM 238 CZ ARG A 18 -1.118 10.804 1.434 1.00 0.00 C ATOM 239 NH1 ARG A 18 -2.218 10.243 1.930 1.00 0.00 N ATOM 240 NH2 ARG A 18 -1.165 12.044 0.957 1.00 0.00 N ATOM 241 H ARG A 18 1.946 6.793 -0.395 1.00 0.00 H ATOM 242 HA ARG A 18 1.634 4.738 1.657 1.00 0.00 H ATOM 243 HB2 ARG A 18 1.116 6.701 3.159 1.00 0.00 H ATOM 244 HB3 ARG A 18 2.757 6.631 2.540 1.00 0.00 H ATOM 245 HG2 ARG A 18 2.268 8.856 2.290 1.00 0.00 H ATOM 246 HG3 ARG A 18 1.837 8.232 0.698 1.00 0.00 H ATOM 247 HD2 ARG A 18 -0.511 8.115 1.391 1.00 0.00 H ATOM 248 HD3 ARG A 18 -0.073 8.749 2.976 1.00 0.00 H ATOM 249 HE ARG A 18 0.832 10.551 1.045 1.00 0.00 H ATOM 250 HH11 ARG A 18 -2.187 9.307 2.291 1.00 0.00 H ATOM 251 HH12 ARG A 18 -3.082 10.750 1.948 1.00 0.00 H ATOM 252 HH21 ARG A 18 -0.340 12.472 0.583 1.00 0.00 H ATOM 253 HH22 ARG A 18 -2.025 12.558 0.970 1.00 0.00 H ATOM 254 N CYS A 19 -0.714 5.166 -0.040 1.00 0.00 N ATOM 255 CA CYS A 19 -2.164 5.088 -0.289 1.00 0.00 C ATOM 256 C CYS A 19 -2.856 4.221 0.770 1.00 0.00 C ATOM 257 O CYS A 19 -4.055 4.337 0.998 1.00 0.00 O ATOM 258 CB CYS A 19 -2.488 4.515 -1.671 1.00 0.00 C ATOM 259 SG CYS A 19 -1.112 4.535 -2.851 1.00 0.00 S ATOM 260 H CYS A 19 -0.092 4.879 -0.741 1.00 0.00 H ATOM 261 HA CYS A 19 -2.554 6.089 -0.242 1.00 0.00 H ATOM 262 HB2 CYS A 19 -2.801 3.488 -1.559 1.00 0.00 H ATOM 263 HB3 CYS A 19 -3.299 5.083 -2.104 1.00 0.00 H ATOM 264 N CYS A 20 -2.083 3.343 1.404 1.00 0.00 N ATOM 265 CA CYS A 20 -2.619 2.439 2.444 1.00 0.00 C ATOM 266 C CYS A 20 -2.133 2.870 3.826 1.00 0.00 C ATOM 267 O CYS A 20 -2.543 2.316 4.842 1.00 0.00 O ATOM 268 CB CYS A 20 -2.198 0.987 2.138 1.00 0.00 C ATOM 269 SG CYS A 20 -2.836 -0.344 3.221 1.00 0.00 S ATOM 270 H CYS A 20 -1.105 3.303 1.168 1.00 0.00 H ATOM 271 HA CYS A 20 -3.697 2.507 2.417 1.00 0.00 H ATOM 272 HB2 CYS A 20 -2.517 0.747 1.137 1.00 0.00 H ATOM 273 HB3 CYS A 20 -1.118 0.936 2.171 1.00 0.00 H HETATM 274 N NH2 A 21 -1.256 3.863 3.861 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -1.417 4.643 3.287 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -0.485 3.779 4.460 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 3 HETATM 1 N PCA A 1 -13.230 -0.194 -2.128 1.00 0.00 N HETATM 2 CA PCA A 1 -12.377 1.021 -2.262 1.00 0.00 C HETATM 3 CB PCA A 1 -12.434 1.322 -3.777 1.00 0.00 C HETATM 4 CG PCA A 1 -13.329 0.257 -4.404 1.00 0.00 C HETATM 5 CD PCA A 1 -13.755 -0.629 -3.253 1.00 0.00 C HETATM 6 OE PCA A 1 -14.492 -1.597 -3.367 1.00 0.00 O HETATM 7 C PCA A 1 -11.069 1.113 -1.532 1.00 0.00 C HETATM 8 O PCA A 1 -10.049 1.486 -2.108 1.00 0.00 O HETATM 9 H1 PCA A 1 -12.632 -1.042 -2.060 1.00 0.00 H HETATM 10 H2 PCA A 1 -13.854 -0.295 -2.954 1.00 0.00 H HETATM 11 H3 PCA A 1 -13.815 -0.129 -1.272 1.00 0.00 H HETATM 12 HA PCA A 1 -12.970 1.803 -1.810 1.00 0.00 H HETATM 13 HB2 PCA A 1 -11.443 1.264 -4.205 1.00 0.00 H HETATM 14 HB3 PCA A 1 -12.858 2.301 -3.947 1.00 0.00 H HETATM 15 HG2 PCA A 1 -14.194 0.717 -4.861 1.00 0.00 H HETATM 16 HG3 PCA A 1 -12.771 -0.320 -5.129 1.00 0.00 H ATOM 17 N ASN A 2 -11.090 0.757 -0.256 1.00 0.00 N ATOM 18 CA ASN A 2 -9.894 0.781 0.572 1.00 0.00 C ATOM 19 C ASN A 2 -8.915 -0.304 0.126 1.00 0.00 C ATOM 20 O ASN A 2 -9.151 -1.491 0.315 1.00 0.00 O ATOM 21 CB ASN A 2 -10.276 0.614 2.048 1.00 0.00 C ATOM 22 CG ASN A 2 -11.249 -0.528 2.295 1.00 0.00 C ATOM 23 OD1 ASN A 2 -12.331 -0.584 1.701 1.00 0.00 O ATOM 24 ND2 ASN A 2 -10.874 -1.439 3.178 1.00 0.00 N ATOM 25 H ASN A 2 -11.934 0.456 0.148 1.00 0.00 H ATOM 26 HA ASN A 2 -9.424 1.745 0.440 1.00 0.00 H ATOM 27 HB2 ASN A 2 -9.380 0.422 2.620 1.00 0.00 H ATOM 28 HB3 ASN A 2 -10.724 1.530 2.398 1.00 0.00 H ATOM 29 HD21 ASN A 2 -10.001 -1.328 3.616 1.00 0.00 H ATOM 30 HD22 ASN A 2 -11.477 -2.186 3.359 1.00 0.00 H ATOM 31 N CYS A 3 -7.846 0.124 -0.526 1.00 0.00 N ATOM 32 CA CYS A 3 -6.837 -0.786 -1.065 1.00 0.00 C ATOM 33 C CYS A 3 -5.550 -0.898 -0.218 1.00 0.00 C ATOM 34 O CYS A 3 -4.917 -1.953 -0.149 1.00 0.00 O ATOM 35 CB CYS A 3 -6.473 -0.308 -2.475 1.00 0.00 C ATOM 36 SG CYS A 3 -5.216 -1.319 -3.315 1.00 0.00 S ATOM 37 H CYS A 3 -7.749 1.086 -0.688 1.00 0.00 H ATOM 38 HA CYS A 3 -7.285 -1.764 -1.144 1.00 0.00 H ATOM 39 HB2 CYS A 3 -7.361 -0.317 -3.089 1.00 0.00 H ATOM 40 HB3 CYS A 3 -6.095 0.703 -2.416 1.00 0.00 H ATOM 41 N CYS A 4 -5.120 0.229 0.324 1.00 0.00 N ATOM 42 CA CYS A 4 -3.856 0.359 1.046 1.00 0.00 C ATOM 43 C CYS A 4 -3.919 0.190 2.564 1.00 0.00 C ATOM 44 O CYS A 4 -4.022 1.161 3.298 1.00 0.00 O ATOM 45 CB CYS A 4 -3.303 1.739 0.739 1.00 0.00 C ATOM 46 SG CYS A 4 -3.803 2.426 -0.865 1.00 0.00 S ATOM 47 H CYS A 4 -5.627 1.017 0.174 1.00 0.00 H ATOM 48 HA CYS A 4 -3.172 -0.371 0.645 1.00 0.00 H ATOM 49 HB2 CYS A 4 -3.635 2.425 1.503 1.00 0.00 H ATOM 50 HB3 CYS A 4 -2.224 1.693 0.753 1.00 0.00 H ATOM 51 N ASN A 5 -3.801 -1.031 3.020 1.00 0.00 N ATOM 52 CA ASN A 5 -3.777 -1.337 4.451 1.00 0.00 C ATOM 53 C ASN A 5 -2.980 -2.596 4.597 1.00 0.00 C ATOM 54 O ASN A 5 -2.204 -2.787 5.526 1.00 0.00 O ATOM 55 CB ASN A 5 -5.176 -1.546 5.036 1.00 0.00 C ATOM 56 CG ASN A 5 -5.166 -1.638 6.550 1.00 0.00 C ATOM 57 OD1 ASN A 5 -4.750 -0.706 7.233 1.00 0.00 O ATOM 58 ND2 ASN A 5 -5.633 -2.756 7.083 1.00 0.00 N ATOM 59 H ASN A 5 -3.677 -1.757 2.383 1.00 0.00 H ATOM 60 HA ASN A 5 -3.275 -0.531 4.968 1.00 0.00 H ATOM 61 HB2 ASN A 5 -5.806 -0.717 4.749 1.00 0.00 H ATOM 62 HB3 ASN A 5 -5.593 -2.461 4.640 1.00 0.00 H ATOM 63 HD21 ASN A 5 -5.958 -3.457 6.482 1.00 0.00 H ATOM 64 HD22 ASN A 5 -5.635 -2.834 8.059 1.00 0.00 H ATOM 65 N GLY A 6 -3.184 -3.444 3.614 1.00 0.00 N ATOM 66 CA GLY A 6 -2.492 -4.700 3.562 1.00 0.00 C ATOM 67 C GLY A 6 -2.562 -5.288 2.186 1.00 0.00 C ATOM 68 O GLY A 6 -2.484 -6.501 2.015 1.00 0.00 O ATOM 69 H GLY A 6 -3.817 -3.197 2.898 1.00 0.00 H ATOM 70 HA2 GLY A 6 -1.460 -4.542 3.824 1.00 0.00 H ATOM 71 HA3 GLY A 6 -2.939 -5.386 4.265 1.00 0.00 H ATOM 72 N GLY A 7 -2.715 -4.417 1.191 1.00 0.00 N ATOM 73 CA GLY A 7 -2.807 -4.891 -0.163 1.00 0.00 C ATOM 74 C GLY A 7 -4.186 -5.413 -0.427 1.00 0.00 C ATOM 75 O GLY A 7 -4.365 -6.379 -1.160 1.00 0.00 O ATOM 76 H GLY A 7 -2.782 -3.450 1.381 1.00 0.00 H ATOM 77 HA2 GLY A 7 -2.593 -4.077 -0.842 1.00 0.00 H ATOM 78 HA3 GLY A 7 -2.092 -5.684 -0.315 1.00 0.00 H ATOM 79 N CYS A 8 -5.152 -4.750 0.205 1.00 0.00 N ATOM 80 CA CYS A 8 -6.556 -5.099 0.092 1.00 0.00 C ATOM 81 C CYS A 8 -6.921 -5.307 -1.381 1.00 0.00 C ATOM 82 O CYS A 8 -7.399 -6.371 -1.768 1.00 0.00 O ATOM 83 CB CYS A 8 -7.404 -3.989 0.752 1.00 0.00 C ATOM 84 SG CYS A 8 -6.740 -3.424 2.375 1.00 0.00 S ATOM 85 H CYS A 8 -4.902 -4.000 0.780 1.00 0.00 H ATOM 86 HA CYS A 8 -6.711 -6.024 0.621 1.00 0.00 H ATOM 87 HB2 CYS A 8 -7.442 -3.133 0.095 1.00 0.00 H ATOM 88 HB3 CYS A 8 -8.405 -4.358 0.916 1.00 0.00 H ATOM 89 N SER A 9 -6.655 -4.301 -2.203 1.00 0.00 N ATOM 90 CA SER A 9 -6.910 -4.402 -3.633 1.00 0.00 C ATOM 91 C SER A 9 -5.615 -4.670 -4.431 1.00 0.00 C ATOM 92 O SER A 9 -5.634 -5.385 -5.432 1.00 0.00 O ATOM 93 CB SER A 9 -7.623 -3.149 -4.140 1.00 0.00 C ATOM 94 OG SER A 9 -8.743 -2.847 -3.321 1.00 0.00 O ATOM 95 H SER A 9 -6.247 -3.492 -1.846 1.00 0.00 H ATOM 96 HA SER A 9 -7.568 -5.247 -3.776 1.00 0.00 H ATOM 97 HB2 SER A 9 -6.939 -2.313 -4.120 1.00 0.00 H ATOM 98 HB3 SER A 9 -7.965 -3.314 -5.151 1.00 0.00 H ATOM 99 HG SER A 9 -9.105 -3.666 -2.969 1.00 0.00 H ATOM 100 N SER A 10 -4.494 -4.057 -4.010 1.00 0.00 N ATOM 101 CA SER A 10 -3.217 -4.207 -4.721 1.00 0.00 C ATOM 102 C SER A 10 -1.997 -4.045 -3.793 1.00 0.00 C ATOM 103 O SER A 10 -2.107 -3.551 -2.669 1.00 0.00 O ATOM 104 CB SER A 10 -3.132 -3.193 -5.864 1.00 0.00 C ATOM 105 OG SER A 10 -4.188 -3.377 -6.791 1.00 0.00 O ATOM 106 H SER A 10 -4.536 -3.472 -3.229 1.00 0.00 H ATOM 107 HA SER A 10 -3.195 -5.201 -5.141 1.00 0.00 H ATOM 108 HB2 SER A 10 -3.194 -2.194 -5.461 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.191 -3.314 -6.380 1.00 0.00 H ATOM 110 HG SER A 10 -4.740 -4.119 -6.505 1.00 0.00 H ATOM 111 N LYS A 11 -0.840 -4.497 -4.289 1.00 0.00 N ATOM 112 CA LYS A 11 0.432 -4.471 -3.557 1.00 0.00 C ATOM 113 C LYS A 11 0.922 -3.059 -3.232 1.00 0.00 C ATOM 114 O LYS A 11 1.296 -2.802 -2.090 1.00 0.00 O ATOM 115 CB LYS A 11 1.504 -5.229 -4.359 1.00 0.00 C ATOM 116 CG LYS A 11 2.833 -5.421 -3.628 1.00 0.00 C ATOM 117 CD LYS A 11 3.817 -4.288 -3.906 1.00 0.00 C ATOM 118 CE LYS A 11 5.143 -4.511 -3.190 1.00 0.00 C ATOM 119 NZ LYS A 11 6.134 -3.443 -3.497 1.00 0.00 N ATOM 120 H LYS A 11 -0.848 -4.885 -5.177 1.00 0.00 H ATOM 121 HA LYS A 11 0.276 -4.995 -2.627 1.00 0.00 H ATOM 122 HB2 LYS A 11 1.119 -6.205 -4.612 1.00 0.00 H ATOM 123 HB3 LYS A 11 1.699 -4.685 -5.272 1.00 0.00 H ATOM 124 HG2 LYS A 11 2.643 -5.462 -2.566 1.00 0.00 H ATOM 125 HG3 LYS A 11 3.274 -6.354 -3.949 1.00 0.00 H ATOM 126 HD2 LYS A 11 3.998 -4.234 -4.968 1.00 0.00 H ATOM 127 HD3 LYS A 11 3.385 -3.359 -3.564 1.00 0.00 H ATOM 128 HE2 LYS A 11 4.964 -4.526 -2.125 1.00 0.00 H ATOM 129 HE3 LYS A 11 5.547 -5.465 -3.498 1.00 0.00 H ATOM 130 HZ1 LYS A 11 6.240 -2.800 -2.672 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.822 -2.883 -4.312 1.00 0.00 H ATOM 132 HZ3 LYS A 11 7.060 -3.861 -3.710 1.00 0.00 H ATOM 133 N TRP A 12 0.936 -2.154 -4.222 1.00 0.00 N ATOM 134 CA TRP A 12 1.405 -0.775 -3.995 1.00 0.00 C ATOM 135 C TRP A 12 0.723 -0.188 -2.789 1.00 0.00 C ATOM 136 O TRP A 12 1.321 0.537 -2.001 1.00 0.00 O ATOM 137 CB TRP A 12 1.139 0.132 -5.219 1.00 0.00 C ATOM 138 CG TRP A 12 1.380 1.607 -4.956 1.00 0.00 C ATOM 139 CD1 TRP A 12 2.477 2.352 -5.286 1.00 0.00 C ATOM 140 CD2 TRP A 12 0.493 2.499 -4.271 1.00 0.00 C ATOM 141 NE1 TRP A 12 2.312 3.654 -4.852 1.00 0.00 N ATOM 142 CE2 TRP A 12 1.097 3.762 -4.219 1.00 0.00 C ATOM 143 CE3 TRP A 12 -0.757 2.329 -3.701 1.00 0.00 C ATOM 144 CZ2 TRP A 12 0.474 4.858 -3.604 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -1.376 3.397 -3.090 1.00 0.00 C ATOM 146 CH2 TRP A 12 -0.767 4.650 -3.043 1.00 0.00 C ATOM 147 H TRP A 12 0.635 -2.416 -5.114 1.00 0.00 H ATOM 148 HA TRP A 12 2.455 -0.809 -3.800 1.00 0.00 H ATOM 149 HB2 TRP A 12 1.783 -0.168 -6.027 1.00 0.00 H ATOM 150 HB3 TRP A 12 0.110 0.013 -5.526 1.00 0.00 H ATOM 151 HD1 TRP A 12 3.336 1.969 -5.816 1.00 0.00 H ATOM 152 HE1 TRP A 12 2.958 4.379 -4.972 1.00 0.00 H ATOM 153 HE3 TRP A 12 -1.230 1.362 -3.722 1.00 0.00 H ATOM 154 HZ2 TRP A 12 0.938 5.832 -3.564 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -2.349 3.268 -2.639 1.00 0.00 H ATOM 156 HH2 TRP A 12 -1.291 5.456 -2.536 1.00 0.00 H ATOM 157 N CYS A 13 -0.541 -0.496 -2.679 1.00 0.00 N ATOM 158 CA CYS A 13 -1.361 -0.003 -1.613 1.00 0.00 C ATOM 159 C CYS A 13 -0.782 -0.312 -0.240 1.00 0.00 C ATOM 160 O CYS A 13 -0.724 0.556 0.620 1.00 0.00 O ATOM 161 CB CYS A 13 -2.740 -0.603 -1.765 1.00 0.00 C ATOM 162 SG CYS A 13 -3.558 -0.162 -3.325 1.00 0.00 S ATOM 163 H CYS A 13 -0.948 -1.067 -3.360 1.00 0.00 H ATOM 164 HA CYS A 13 -1.438 1.067 -1.724 1.00 0.00 H ATOM 165 HB2 CYS A 13 -2.664 -1.680 -1.725 1.00 0.00 H ATOM 166 HB3 CYS A 13 -3.367 -0.260 -0.956 1.00 0.00 H ATOM 167 N ARG A 14 -0.339 -1.531 -0.028 1.00 0.00 N ATOM 168 CA ARG A 14 0.228 -1.880 1.276 1.00 0.00 C ATOM 169 C ARG A 14 1.663 -1.410 1.379 1.00 0.00 C ATOM 170 O ARG A 14 2.237 -1.319 2.460 1.00 0.00 O ATOM 171 CB ARG A 14 0.174 -3.371 1.508 1.00 0.00 C ATOM 172 CG ARG A 14 1.170 -4.168 0.692 1.00 0.00 C ATOM 173 CD ARG A 14 1.164 -5.598 1.153 1.00 0.00 C ATOM 174 NE ARG A 14 1.452 -5.687 2.586 1.00 0.00 N ATOM 175 CZ ARG A 14 1.028 -6.677 3.368 1.00 0.00 C ATOM 176 NH1 ARG A 14 0.139 -7.544 2.903 1.00 0.00 N ATOM 177 NH2 ARG A 14 1.436 -6.755 4.631 1.00 0.00 N ATOM 178 H ARG A 14 -0.374 -2.201 -0.761 1.00 0.00 H ATOM 179 HA ARG A 14 -0.359 -1.393 2.036 1.00 0.00 H ATOM 180 HB2 ARG A 14 0.363 -3.567 2.553 1.00 0.00 H ATOM 181 HB3 ARG A 14 -0.817 -3.717 1.262 1.00 0.00 H ATOM 182 HG2 ARG A 14 0.892 -4.126 -0.351 1.00 0.00 H ATOM 183 HG3 ARG A 14 2.157 -3.753 0.829 1.00 0.00 H ATOM 184 HD2 ARG A 14 0.191 -6.011 0.957 1.00 0.00 H ATOM 185 HD3 ARG A 14 1.913 -6.149 0.605 1.00 0.00 H ATOM 186 HE ARG A 14 2.024 -4.983 2.970 1.00 0.00 H ATOM 187 HH11 ARG A 14 -0.216 -7.443 1.969 1.00 0.00 H ATOM 188 HH12 ARG A 14 -0.185 -8.299 3.476 1.00 0.00 H ATOM 189 HH21 ARG A 14 2.066 -6.068 5.001 1.00 0.00 H ATOM 190 HH22 ARG A 14 1.118 -7.501 5.220 1.00 0.00 H ATOM 191 N ASP A 15 2.225 -1.169 0.224 1.00 0.00 N ATOM 192 CA ASP A 15 3.604 -0.754 0.086 1.00 0.00 C ATOM 193 C ASP A 15 3.796 0.741 0.330 1.00 0.00 C ATOM 194 O ASP A 15 4.873 1.167 0.746 1.00 0.00 O ATOM 195 CB ASP A 15 4.083 -1.142 -1.320 1.00 0.00 C ATOM 196 CG ASP A 15 5.516 -0.751 -1.622 1.00 0.00 C ATOM 197 OD1 ASP A 15 5.780 0.446 -1.840 1.00 0.00 O ATOM 198 OD2 ASP A 15 6.372 -1.658 -1.681 1.00 0.00 O ATOM 199 H ASP A 15 1.692 -1.304 -0.584 1.00 0.00 H ATOM 200 HA ASP A 15 4.186 -1.299 0.811 1.00 0.00 H ATOM 201 HB2 ASP A 15 4.000 -2.212 -1.432 1.00 0.00 H ATOM 202 HB3 ASP A 15 3.442 -0.664 -2.048 1.00 0.00 H ATOM 203 N HIS A 16 2.793 1.557 0.020 1.00 0.00 N ATOM 204 CA HIS A 16 2.976 2.993 0.168 1.00 0.00 C ATOM 205 C HIS A 16 1.790 3.787 0.710 1.00 0.00 C ATOM 206 O HIS A 16 1.863 5.017 0.687 1.00 0.00 O ATOM 207 CB HIS A 16 3.335 3.582 -1.192 1.00 0.00 C ATOM 208 CG HIS A 16 4.788 3.916 -1.347 1.00 0.00 C ATOM 209 ND1 HIS A 16 5.786 2.968 -1.400 1.00 0.00 N ATOM 210 CD2 HIS A 16 5.410 5.114 -1.446 1.00 0.00 C ATOM 211 CE1 HIS A 16 6.955 3.562 -1.521 1.00 0.00 C ATOM 212 NE2 HIS A 16 6.756 4.867 -1.553 1.00 0.00 N ATOM 213 H HIS A 16 1.961 1.199 -0.358 1.00 0.00 H ATOM 214 HA HIS A 16 3.816 3.146 0.824 1.00 0.00 H ATOM 215 HB2 HIS A 16 3.068 2.873 -1.960 1.00 0.00 H ATOM 216 HB3 HIS A 16 2.763 4.485 -1.342 1.00 0.00 H ATOM 217 HD1 HIS A 16 5.657 1.979 -1.361 1.00 0.00 H ATOM 218 HD2 HIS A 16 4.935 6.085 -1.442 1.00 0.00 H ATOM 219 HE1 HIS A 16 7.912 3.067 -1.585 1.00 0.00 H ATOM 220 N ALA A 17 0.700 3.182 1.178 1.00 0.00 N ATOM 221 CA ALA A 17 -0.389 4.040 1.649 1.00 0.00 C ATOM 222 C ALA A 17 -1.329 3.404 2.646 1.00 0.00 C ATOM 223 O ALA A 17 -1.452 2.190 2.741 1.00 0.00 O ATOM 224 CB ALA A 17 -1.170 4.573 0.463 1.00 0.00 C ATOM 225 H ALA A 17 0.612 2.192 1.186 1.00 0.00 H ATOM 226 HA ALA A 17 0.055 4.885 2.131 1.00 0.00 H ATOM 227 HB1 ALA A 17 -1.644 5.505 0.733 1.00 0.00 H ATOM 228 HB2 ALA A 17 -1.925 3.855 0.177 1.00 0.00 H ATOM 229 HB3 ALA A 17 -0.498 4.738 -0.366 1.00 0.00 H ATOM 230 N ARG A 18 -2.000 4.278 3.389 1.00 0.00 N ATOM 231 CA ARG A 18 -2.982 3.879 4.380 1.00 0.00 C ATOM 232 C ARG A 18 -4.408 4.078 3.837 1.00 0.00 C ATOM 233 O ARG A 18 -5.345 4.274 4.611 1.00 0.00 O ATOM 234 CB ARG A 18 -2.767 4.656 5.693 1.00 0.00 C ATOM 235 CG ARG A 18 -2.725 6.176 5.543 1.00 0.00 C ATOM 236 CD ARG A 18 -4.117 6.790 5.571 1.00 0.00 C ATOM 237 NE ARG A 18 -4.090 8.244 5.411 1.00 0.00 N ATOM 238 CZ ARG A 18 -5.186 9.003 5.358 1.00 0.00 C ATOM 239 NH1 ARG A 18 -6.390 8.443 5.441 1.00 0.00 N ATOM 240 NH2 ARG A 18 -5.078 10.321 5.220 1.00 0.00 N ATOM 241 H ARG A 18 -1.841 5.232 3.242 1.00 0.00 H ATOM 242 HA ARG A 18 -2.837 2.826 4.573 1.00 0.00 H ATOM 243 HB2 ARG A 18 -3.569 4.411 6.373 1.00 0.00 H ATOM 244 HB3 ARG A 18 -1.833 4.336 6.132 1.00 0.00 H ATOM 245 HG2 ARG A 18 -2.146 6.590 6.354 1.00 0.00 H ATOM 246 HG3 ARG A 18 -2.253 6.419 4.602 1.00 0.00 H ATOM 247 HD2 ARG A 18 -4.700 6.362 4.769 1.00 0.00 H ATOM 248 HD3 ARG A 18 -4.581 6.550 6.517 1.00 0.00 H ATOM 249 HE ARG A 18 -3.209 8.672 5.345 1.00 0.00 H ATOM 250 HH11 ARG A 18 -6.477 7.448 5.544 1.00 0.00 H ATOM 251 HH12 ARG A 18 -7.216 9.009 5.402 1.00 0.00 H ATOM 252 HH21 ARG A 18 -4.174 10.750 5.156 1.00 0.00 H ATOM 253 HH22 ARG A 18 -5.899 10.894 5.180 1.00 0.00 H ATOM 254 N CYS A 19 -4.572 4.057 2.504 1.00 0.00 N ATOM 255 CA CYS A 19 -5.896 4.268 1.894 1.00 0.00 C ATOM 256 C CYS A 19 -6.914 3.238 2.387 1.00 0.00 C ATOM 257 O CYS A 19 -8.113 3.500 2.410 1.00 0.00 O ATOM 258 CB CYS A 19 -5.868 4.200 0.363 1.00 0.00 C ATOM 259 SG CYS A 19 -4.230 4.347 -0.392 1.00 0.00 S ATOM 260 H CYS A 19 -3.793 3.920 1.926 1.00 0.00 H ATOM 261 HA CYS A 19 -6.218 5.254 2.177 1.00 0.00 H ATOM 262 HB2 CYS A 19 -6.281 3.254 0.050 1.00 0.00 H ATOM 263 HB3 CYS A 19 -6.483 4.997 -0.031 1.00 0.00 H ATOM 264 N CYS A 20 -6.431 2.055 2.757 1.00 0.00 N ATOM 265 CA CYS A 20 -7.323 0.977 3.229 1.00 0.00 C ATOM 266 C CYS A 20 -7.370 0.936 4.754 1.00 0.00 C ATOM 267 O CYS A 20 -8.238 0.295 5.340 1.00 0.00 O ATOM 268 CB CYS A 20 -6.863 -0.376 2.652 1.00 0.00 C ATOM 269 SG CYS A 20 -7.901 -1.848 2.978 1.00 0.00 S ATOM 270 H CYS A 20 -5.436 1.898 2.710 1.00 0.00 H ATOM 271 HA CYS A 20 -8.316 1.192 2.862 1.00 0.00 H ATOM 272 HB2 CYS A 20 -6.793 -0.280 1.580 1.00 0.00 H ATOM 273 HB3 CYS A 20 -5.875 -0.589 3.038 1.00 0.00 H HETATM 274 N NH2 A 21 -6.436 1.627 5.394 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -6.287 2.560 5.130 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -5.934 1.177 6.106 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 4 HETATM 1 N PCA A 1 -11.281 -3.274 -0.466 1.00 0.00 N HETATM 2 CA PCA A 1 -10.417 -3.601 0.701 1.00 0.00 C HETATM 3 CB PCA A 1 -11.431 -3.735 1.860 1.00 0.00 C HETATM 4 CG PCA A 1 -12.813 -3.477 1.266 1.00 0.00 C HETATM 5 CD PCA A 1 -12.566 -3.199 -0.201 1.00 0.00 C HETATM 6 OE PCA A 1 -13.445 -2.942 -1.009 1.00 0.00 O HETATM 7 C PCA A 1 -9.130 -2.860 0.912 1.00 0.00 C HETATM 8 O PCA A 1 -8.433 -2.539 -0.048 1.00 0.00 O HETATM 9 H1 PCA A 1 -10.782 -2.622 -1.104 1.00 0.00 H HETATM 10 H2 PCA A 1 -12.164 -2.824 -0.150 1.00 0.00 H HETATM 11 H3 PCA A 1 -11.518 -4.139 -0.990 1.00 0.00 H HETATM 12 HA PCA A 1 -10.093 -4.613 0.506 1.00 0.00 H HETATM 13 HB2 PCA A 1 -11.222 -3.001 2.626 1.00 0.00 H HETATM 14 HB3 PCA A 1 -11.393 -4.732 2.276 1.00 0.00 H HETATM 15 HG2 PCA A 1 -13.437 -4.353 1.379 1.00 0.00 H HETATM 16 HG3 PCA A 1 -13.267 -2.616 1.737 1.00 0.00 H ATOM 17 N ASN A 2 -8.810 -2.582 2.167 1.00 0.00 N ATOM 18 CA ASN A 2 -7.587 -1.870 2.514 1.00 0.00 C ATOM 19 C ASN A 2 -6.362 -2.744 2.242 1.00 0.00 C ATOM 20 O ASN A 2 -6.133 -3.745 2.910 1.00 0.00 O ATOM 21 CB ASN A 2 -7.636 -1.420 3.980 1.00 0.00 C ATOM 22 CG ASN A 2 -8.086 -2.516 4.934 1.00 0.00 C ATOM 23 OD1 ASN A 2 -9.171 -3.083 4.785 1.00 0.00 O ATOM 24 ND2 ASN A 2 -7.262 -2.810 5.925 1.00 0.00 N ATOM 25 H ASN A 2 -9.410 -2.868 2.893 1.00 0.00 H ATOM 26 HA ASN A 2 -7.530 -0.995 1.883 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.649 -1.100 4.280 1.00 0.00 H ATOM 28 HB3 ASN A 2 -8.316 -0.589 4.066 1.00 0.00 H ATOM 29 HD21 ASN A 2 -6.417 -2.313 5.989 1.00 0.00 H ATOM 30 HD22 ASN A 2 -7.525 -3.511 6.553 1.00 0.00 H ATOM 31 N CYS A 3 -5.619 -2.382 1.208 1.00 0.00 N ATOM 32 CA CYS A 3 -4.440 -3.135 0.783 1.00 0.00 C ATOM 33 C CYS A 3 -3.086 -2.500 1.187 1.00 0.00 C ATOM 34 O CYS A 3 -2.107 -3.189 1.471 1.00 0.00 O ATOM 35 CB CYS A 3 -4.501 -3.281 -0.739 1.00 0.00 C ATOM 36 SG CYS A 3 -3.114 -4.202 -1.464 1.00 0.00 S ATOM 37 H CYS A 3 -5.890 -1.597 0.686 1.00 0.00 H ATOM 38 HA CYS A 3 -4.503 -4.118 1.221 1.00 0.00 H ATOM 39 HB2 CYS A 3 -5.410 -3.798 -1.006 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.511 -2.297 -1.185 1.00 0.00 H ATOM 41 N CYS A 4 -3.031 -1.186 1.082 1.00 0.00 N ATOM 42 CA CYS A 4 -1.824 -0.383 1.275 1.00 0.00 C ATOM 43 C CYS A 4 -1.555 0.114 2.696 1.00 0.00 C ATOM 44 O CYS A 4 -1.858 1.248 3.031 1.00 0.00 O ATOM 45 CB CYS A 4 -1.947 0.812 0.342 1.00 0.00 C ATOM 46 SG CYS A 4 -3.116 0.556 -1.026 1.00 0.00 S ATOM 47 H CYS A 4 -3.815 -0.733 0.784 1.00 0.00 H ATOM 48 HA CYS A 4 -0.982 -0.972 0.952 1.00 0.00 H ATOM 49 HB2 CYS A 4 -2.284 1.669 0.906 1.00 0.00 H ATOM 50 HB3 CYS A 4 -0.979 1.027 -0.087 1.00 0.00 H ATOM 51 N ASN A 5 -0.945 -0.718 3.503 1.00 0.00 N ATOM 52 CA ASN A 5 -0.573 -0.350 4.871 1.00 0.00 C ATOM 53 C ASN A 5 0.630 -1.170 5.218 1.00 0.00 C ATOM 54 O ASN A 5 1.557 -0.732 5.888 1.00 0.00 O ATOM 55 CB ASN A 5 -1.689 -0.625 5.880 1.00 0.00 C ATOM 56 CG ASN A 5 -1.409 -0.014 7.240 1.00 0.00 C ATOM 57 OD1 ASN A 5 -1.275 1.200 7.368 1.00 0.00 O ATOM 58 ND2 ASN A 5 -1.333 -0.850 8.264 1.00 0.00 N ATOM 59 H ASN A 5 -0.693 -1.596 3.166 1.00 0.00 H ATOM 60 HA ASN A 5 -0.310 0.698 4.885 1.00 0.00 H ATOM 61 HB2 ASN A 5 -2.613 -0.210 5.505 1.00 0.00 H ATOM 62 HB3 ASN A 5 -1.804 -1.693 6.000 1.00 0.00 H ATOM 63 HD21 ASN A 5 -1.459 -1.805 8.095 1.00 0.00 H ATOM 64 HD22 ASN A 5 -1.154 -0.474 9.151 1.00 0.00 H ATOM 65 N GLY A 6 0.589 -2.381 4.710 1.00 0.00 N ATOM 66 CA GLY A 6 1.664 -3.310 4.914 1.00 0.00 C ATOM 67 C GLY A 6 1.595 -4.427 3.918 1.00 0.00 C ATOM 68 O GLY A 6 2.039 -5.537 4.186 1.00 0.00 O ATOM 69 H GLY A 6 -0.193 -2.644 4.170 1.00 0.00 H ATOM 70 HA2 GLY A 6 2.601 -2.793 4.798 1.00 0.00 H ATOM 71 HA3 GLY A 6 1.600 -3.719 5.911 1.00 0.00 H ATOM 72 N GLY A 7 1.020 -4.131 2.753 1.00 0.00 N ATOM 73 CA GLY A 7 0.896 -5.146 1.740 1.00 0.00 C ATOM 74 C GLY A 7 -0.209 -6.090 2.097 1.00 0.00 C ATOM 75 O GLY A 7 -0.125 -7.286 1.842 1.00 0.00 O ATOM 76 H GLY A 7 0.664 -3.224 2.589 1.00 0.00 H ATOM 77 HA2 GLY A 7 0.679 -4.678 0.790 1.00 0.00 H ATOM 78 HA3 GLY A 7 1.823 -5.695 1.667 1.00 0.00 H ATOM 79 N CYS A 8 -1.242 -5.513 2.706 1.00 0.00 N ATOM 80 CA CYS A 8 -2.414 -6.247 3.144 1.00 0.00 C ATOM 81 C CYS A 8 -2.885 -7.183 2.025 1.00 0.00 C ATOM 82 O CYS A 8 -2.984 -8.393 2.218 1.00 0.00 O ATOM 83 CB CYS A 8 -3.504 -5.238 3.572 1.00 0.00 C ATOM 84 SG CYS A 8 -2.853 -3.851 4.599 1.00 0.00 S ATOM 85 H CYS A 8 -1.205 -4.551 2.874 1.00 0.00 H ATOM 86 HA CYS A 8 -2.130 -6.843 3.995 1.00 0.00 H ATOM 87 HB2 CYS A 8 -3.960 -4.812 2.690 1.00 0.00 H ATOM 88 HB3 CYS A 8 -4.256 -5.752 4.150 1.00 0.00 H ATOM 89 N SER A 9 -3.129 -6.625 0.845 1.00 0.00 N ATOM 90 CA SER A 9 -3.527 -7.428 -0.304 1.00 0.00 C ATOM 91 C SER A 9 -2.352 -7.652 -1.286 1.00 0.00 C ATOM 92 O SER A 9 -2.243 -8.721 -1.887 1.00 0.00 O ATOM 93 CB SER A 9 -4.734 -6.808 -1.016 1.00 0.00 C ATOM 94 OG SER A 9 -5.270 -7.684 -1.992 1.00 0.00 O ATOM 95 H SER A 9 -2.999 -5.666 0.738 1.00 0.00 H ATOM 96 HA SER A 9 -3.822 -8.394 0.080 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.502 -6.589 -0.290 1.00 0.00 H ATOM 98 HB3 SER A 9 -4.428 -5.893 -1.502 1.00 0.00 H ATOM 99 HG SER A 9 -4.643 -8.394 -2.165 1.00 0.00 H ATOM 100 N SER A 10 -1.502 -6.627 -1.487 1.00 0.00 N ATOM 101 CA SER A 10 -0.382 -6.724 -2.439 1.00 0.00 C ATOM 102 C SER A 10 0.798 -5.791 -2.087 1.00 0.00 C ATOM 103 O SER A 10 0.696 -4.932 -1.210 1.00 0.00 O ATOM 104 CB SER A 10 -0.877 -6.412 -3.855 1.00 0.00 C ATOM 105 OG SER A 10 -1.849 -7.351 -4.277 1.00 0.00 O ATOM 106 H SER A 10 -1.650 -5.784 -1.015 1.00 0.00 H ATOM 107 HA SER A 10 -0.027 -7.743 -2.418 1.00 0.00 H ATOM 108 HB2 SER A 10 -1.317 -5.426 -3.870 1.00 0.00 H ATOM 109 HB3 SER A 10 -0.042 -6.443 -4.540 1.00 0.00 H ATOM 110 HG SER A 10 -2.032 -7.970 -3.557 1.00 0.00 H ATOM 111 N LYS A 11 1.926 -6.004 -2.784 1.00 0.00 N ATOM 112 CA LYS A 11 3.173 -5.253 -2.580 1.00 0.00 C ATOM 113 C LYS A 11 3.038 -3.756 -2.842 1.00 0.00 C ATOM 114 O LYS A 11 3.371 -2.958 -1.972 1.00 0.00 O ATOM 115 CB LYS A 11 4.278 -5.799 -3.489 1.00 0.00 C ATOM 116 CG LYS A 11 5.660 -5.256 -3.147 1.00 0.00 C ATOM 117 CD LYS A 11 6.414 -4.750 -4.373 1.00 0.00 C ATOM 118 CE LYS A 11 5.874 -3.418 -4.874 1.00 0.00 C ATOM 119 NZ LYS A 11 6.886 -2.660 -5.666 1.00 0.00 N ATOM 120 H LYS A 11 1.924 -6.714 -3.445 1.00 0.00 H ATOM 121 HA LYS A 11 3.475 -5.395 -1.554 1.00 0.00 H ATOM 122 HB2 LYS A 11 4.305 -6.876 -3.400 1.00 0.00 H ATOM 123 HB3 LYS A 11 4.053 -5.535 -4.512 1.00 0.00 H ATOM 124 HG2 LYS A 11 5.547 -4.438 -2.451 1.00 0.00 H ATOM 125 HG3 LYS A 11 6.236 -6.043 -2.683 1.00 0.00 H ATOM 126 HD2 LYS A 11 7.447 -4.623 -4.113 1.00 0.00 H ATOM 127 HD3 LYS A 11 6.328 -5.482 -5.163 1.00 0.00 H ATOM 128 HE2 LYS A 11 5.012 -3.606 -5.496 1.00 0.00 H ATOM 129 HE3 LYS A 11 5.577 -2.823 -4.022 1.00 0.00 H ATOM 130 HZ1 LYS A 11 6.631 -2.659 -6.672 1.00 0.00 H ATOM 131 HZ2 LYS A 11 7.825 -3.091 -5.557 1.00 0.00 H ATOM 132 HZ3 LYS A 11 6.935 -1.664 -5.330 1.00 0.00 H ATOM 133 N TRP A 12 2.588 -3.383 -4.050 1.00 0.00 N ATOM 134 CA TRP A 12 2.440 -1.964 -4.436 1.00 0.00 C ATOM 135 C TRP A 12 1.796 -1.179 -3.327 1.00 0.00 C ATOM 136 O TRP A 12 2.159 -0.041 -3.057 1.00 0.00 O ATOM 137 CB TRP A 12 1.596 -1.810 -5.722 1.00 0.00 C ATOM 138 CG TRP A 12 1.229 -0.376 -6.060 1.00 0.00 C ATOM 139 CD1 TRP A 12 1.818 0.446 -6.980 1.00 0.00 C ATOM 140 CD2 TRP A 12 0.188 0.400 -5.451 1.00 0.00 C ATOM 141 NE1 TRP A 12 1.195 1.680 -6.978 1.00 0.00 N ATOM 142 CE2 TRP A 12 0.191 1.672 -6.040 1.00 0.00 C ATOM 143 CE3 TRP A 12 -0.738 0.122 -4.461 1.00 0.00 C ATOM 144 CZ2 TRP A 12 -0.715 2.671 -5.656 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -1.632 1.097 -4.073 1.00 0.00 C ATOM 146 CH2 TRP A 12 -1.621 2.361 -4.666 1.00 0.00 C ATOM 147 H TRP A 12 2.374 -4.075 -4.702 1.00 0.00 H ATOM 148 HA TRP A 12 3.416 -1.564 -4.604 1.00 0.00 H ATOM 149 HB2 TRP A 12 2.146 -2.213 -6.553 1.00 0.00 H ATOM 150 HB3 TRP A 12 0.677 -2.368 -5.605 1.00 0.00 H ATOM 151 HD1 TRP A 12 2.644 0.159 -7.613 1.00 0.00 H ATOM 152 HE1 TRP A 12 1.432 2.437 -7.553 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.746 -0.846 -3.990 1.00 0.00 H ATOM 154 HZ2 TRP A 12 -0.714 3.650 -6.111 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -2.355 0.887 -3.298 1.00 0.00 H ATOM 156 HH2 TRP A 12 -2.339 3.100 -4.317 1.00 0.00 H ATOM 157 N CYS A 13 0.830 -1.798 -2.709 1.00 0.00 N ATOM 158 CA CYS A 13 0.093 -1.191 -1.644 1.00 0.00 C ATOM 159 C CYS A 13 0.996 -0.712 -0.516 1.00 0.00 C ATOM 160 O CYS A 13 0.867 0.412 -0.051 1.00 0.00 O ATOM 161 CB CYS A 13 -0.911 -2.198 -1.142 1.00 0.00 C ATOM 162 SG CYS A 13 -2.036 -2.796 -2.432 1.00 0.00 S ATOM 163 H CYS A 13 0.590 -2.703 -2.992 1.00 0.00 H ATOM 164 HA CYS A 13 -0.439 -0.344 -2.048 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.386 -3.051 -0.738 1.00 0.00 H ATOM 166 HB3 CYS A 13 -1.509 -1.746 -0.365 1.00 0.00 H ATOM 167 N ARG A 14 1.931 -1.537 -0.091 1.00 0.00 N ATOM 168 CA ARG A 14 2.834 -1.117 0.982 1.00 0.00 C ATOM 169 C ARG A 14 4.010 -0.362 0.413 1.00 0.00 C ATOM 170 O ARG A 14 4.862 0.147 1.134 1.00 0.00 O ATOM 171 CB ARG A 14 3.323 -2.309 1.802 1.00 0.00 C ATOM 172 CG ARG A 14 4.006 -3.412 1.005 1.00 0.00 C ATOM 173 CD ARG A 14 5.505 -3.429 1.246 1.00 0.00 C ATOM 174 NE ARG A 14 6.198 -2.403 0.474 1.00 0.00 N ATOM 175 CZ ARG A 14 7.470 -2.056 0.674 1.00 0.00 C ATOM 176 NH1 ARG A 14 8.111 -2.522 1.738 1.00 0.00 N ATOM 177 NH2 ARG A 14 8.085 -1.215 -0.153 1.00 0.00 N ATOM 178 H ARG A 14 2.036 -2.428 -0.522 1.00 0.00 H ATOM 179 HA ARG A 14 2.278 -0.455 1.631 1.00 0.00 H ATOM 180 HB2 ARG A 14 4.022 -1.954 2.543 1.00 0.00 H ATOM 181 HB3 ARG A 14 2.479 -2.737 2.302 1.00 0.00 H ATOM 182 HG2 ARG A 14 3.593 -4.364 1.301 1.00 0.00 H ATOM 183 HG3 ARG A 14 3.821 -3.248 -0.047 1.00 0.00 H ATOM 184 HD2 ARG A 14 5.689 -3.260 2.296 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.890 -4.399 0.966 1.00 0.00 H ATOM 186 HE ARG A 14 5.695 -1.978 -0.255 1.00 0.00 H ATOM 187 HH11 ARG A 14 7.636 -3.124 2.382 1.00 0.00 H ATOM 188 HH12 ARG A 14 9.067 -2.273 1.902 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.599 -0.829 -0.953 1.00 0.00 H ATOM 190 HH22 ARG A 14 9.036 -0.953 0.008 1.00 0.00 H ATOM 191 N ASP A 15 4.061 -0.351 -0.894 1.00 0.00 N ATOM 192 CA ASP A 15 5.136 0.272 -1.623 1.00 0.00 C ATOM 193 C ASP A 15 4.794 1.690 -2.060 1.00 0.00 C ATOM 194 O ASP A 15 5.682 2.445 -2.454 1.00 0.00 O ATOM 195 CB ASP A 15 5.431 -0.599 -2.843 1.00 0.00 C ATOM 196 CG ASP A 15 6.786 -0.350 -3.453 1.00 0.00 C ATOM 197 OD1 ASP A 15 7.781 -0.400 -2.710 1.00 0.00 O ATOM 198 OD2 ASP A 15 6.856 -0.190 -4.691 1.00 0.00 O ATOM 199 H ASP A 15 3.357 -0.812 -1.396 1.00 0.00 H ATOM 200 HA ASP A 15 6.005 0.296 -0.989 1.00 0.00 H ATOM 201 HB2 ASP A 15 5.381 -1.636 -2.551 1.00 0.00 H ATOM 202 HB3 ASP A 15 4.680 -0.409 -3.596 1.00 0.00 H ATOM 203 N HIS A 16 3.509 2.047 -2.070 1.00 0.00 N ATOM 204 CA HIS A 16 3.140 3.361 -2.559 1.00 0.00 C ATOM 205 C HIS A 16 1.885 3.994 -1.949 1.00 0.00 C ATOM 206 O HIS A 16 1.475 5.048 -2.435 1.00 0.00 O ATOM 207 CB HIS A 16 2.930 3.255 -4.062 1.00 0.00 C ATOM 208 CG HIS A 16 4.157 3.544 -4.869 1.00 0.00 C ATOM 209 ND1 HIS A 16 4.817 4.755 -4.834 1.00 0.00 N ATOM 210 CD2 HIS A 16 4.856 2.762 -5.725 1.00 0.00 C ATOM 211 CE1 HIS A 16 5.867 4.705 -5.633 1.00 0.00 C ATOM 212 NE2 HIS A 16 5.913 3.508 -6.185 1.00 0.00 N ATOM 213 H HIS A 16 2.816 1.409 -1.811 1.00 0.00 H ATOM 214 HA HIS A 16 3.975 4.020 -2.388 1.00 0.00 H ATOM 215 HB2 HIS A 16 2.612 2.249 -4.297 1.00 0.00 H ATOM 216 HB3 HIS A 16 2.156 3.938 -4.351 1.00 0.00 H ATOM 217 HD1 HIS A 16 4.559 5.532 -4.295 1.00 0.00 H ATOM 218 HD2 HIS A 16 4.625 1.741 -5.996 1.00 0.00 H ATOM 219 HE1 HIS A 16 6.570 5.507 -5.803 1.00 0.00 H ATOM 220 N ALA A 17 1.245 3.415 -0.933 1.00 0.00 N ATOM 221 CA ALA A 17 0.039 4.065 -0.415 1.00 0.00 C ATOM 222 C ALA A 17 -0.340 3.647 0.988 1.00 0.00 C ATOM 223 O ALA A 17 -0.049 2.547 1.429 1.00 0.00 O ATOM 224 CB ALA A 17 -1.133 3.812 -1.354 1.00 0.00 C ATOM 225 H ALA A 17 1.557 2.563 -0.546 1.00 0.00 H ATOM 226 HA ALA A 17 0.214 5.122 -0.404 1.00 0.00 H ATOM 227 HB1 ALA A 17 -0.928 4.261 -2.314 1.00 0.00 H ATOM 228 HB2 ALA A 17 -2.029 4.247 -0.937 1.00 0.00 H ATOM 229 HB3 ALA A 17 -1.273 2.748 -1.476 1.00 0.00 H ATOM 230 N ARG A 18 -1.029 4.555 1.668 1.00 0.00 N ATOM 231 CA ARG A 18 -1.533 4.309 3.008 1.00 0.00 C ATOM 232 C ARG A 18 -3.027 3.962 2.924 1.00 0.00 C ATOM 233 O ARG A 18 -3.791 4.213 3.854 1.00 0.00 O ATOM 234 CB ARG A 18 -1.278 5.526 3.919 1.00 0.00 C ATOM 235 CG ARG A 18 -1.816 6.853 3.387 1.00 0.00 C ATOM 236 CD ARG A 18 -3.259 7.091 3.809 1.00 0.00 C ATOM 237 NE ARG A 18 -3.797 8.346 3.284 1.00 0.00 N ATOM 238 CZ ARG A 18 -5.061 8.738 3.455 1.00 0.00 C ATOM 239 NH1 ARG A 18 -5.914 7.964 4.121 1.00 0.00 N ATOM 240 NH2 ARG A 18 -5.471 9.901 2.958 1.00 0.00 N ATOM 241 H ARG A 18 -1.239 5.406 1.233 1.00 0.00 H ATOM 242 HA ARG A 18 -1.004 3.454 3.405 1.00 0.00 H ATOM 243 HB2 ARG A 18 -1.739 5.341 4.877 1.00 0.00 H ATOM 244 HB3 ARG A 18 -0.212 5.630 4.062 1.00 0.00 H ATOM 245 HG2 ARG A 18 -1.205 7.657 3.771 1.00 0.00 H ATOM 246 HG3 ARG A 18 -1.763 6.844 2.308 1.00 0.00 H ATOM 247 HD2 ARG A 18 -3.864 6.274 3.445 1.00 0.00 H ATOM 248 HD3 ARG A 18 -3.303 7.115 4.888 1.00 0.00 H ATOM 249 HE ARG A 18 -3.180 8.926 2.785 1.00 0.00 H ATOM 250 HH11 ARG A 18 -5.608 7.084 4.495 1.00 0.00 H ATOM 251 HH12 ARG A 18 -6.864 8.254 4.253 1.00 0.00 H ATOM 252 HH21 ARG A 18 -4.834 10.488 2.453 1.00 0.00 H ATOM 253 HH22 ARG A 18 -6.420 10.198 3.085 1.00 0.00 H ATOM 254 N CYS A 19 -3.439 3.413 1.775 1.00 0.00 N ATOM 255 CA CYS A 19 -4.844 3.068 1.536 1.00 0.00 C ATOM 256 C CYS A 19 -5.363 2.029 2.541 1.00 0.00 C ATOM 257 O CYS A 19 -6.557 1.979 2.824 1.00 0.00 O ATOM 258 CB CYS A 19 -5.064 2.573 0.099 1.00 0.00 C ATOM 259 SG CYS A 19 -4.916 0.771 -0.127 1.00 0.00 S ATOM 260 H CYS A 19 -2.785 3.262 1.063 1.00 0.00 H ATOM 261 HA CYS A 19 -5.408 3.976 1.657 1.00 0.00 H ATOM 262 HB2 CYS A 19 -6.055 2.857 -0.220 1.00 0.00 H ATOM 263 HB3 CYS A 19 -4.338 3.044 -0.548 1.00 0.00 H ATOM 264 N CYS A 20 -4.466 1.202 3.079 1.00 0.00 N ATOM 265 CA CYS A 20 -4.868 0.170 4.059 1.00 0.00 C ATOM 266 C CYS A 20 -4.725 0.695 5.483 1.00 0.00 C ATOM 267 O CYS A 20 -5.243 0.105 6.429 1.00 0.00 O ATOM 268 CB CYS A 20 -4.037 -1.113 3.858 1.00 0.00 C ATOM 269 SG CYS A 20 -4.406 -2.555 4.928 1.00 0.00 S ATOM 270 H CYS A 20 -3.499 1.295 2.817 1.00 0.00 H ATOM 271 HA CYS A 20 -5.909 -0.058 3.882 1.00 0.00 H ATOM 272 HB2 CYS A 20 -4.167 -1.444 2.840 1.00 0.00 H ATOM 273 HB3 CYS A 20 -2.994 -0.865 4.003 1.00 0.00 H HETATM 274 N NH2 A 21 -4.021 1.810 5.634 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -4.262 2.587 5.086 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -3.289 1.812 6.287 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 5 HETATM 1 N PCA A 1 -8.280 1.948 -2.068 1.00 0.00 N HETATM 2 CA PCA A 1 -8.388 1.684 -0.606 1.00 0.00 C HETATM 3 CB PCA A 1 -9.211 2.885 -0.092 1.00 0.00 C HETATM 4 CG PCA A 1 -9.528 3.752 -1.307 1.00 0.00 C HETATM 5 CD PCA A 1 -8.877 3.045 -2.478 1.00 0.00 C HETATM 6 OE PCA A 1 -8.910 3.448 -3.630 1.00 0.00 O HETATM 7 C PCA A 1 -7.191 1.212 0.166 1.00 0.00 C HETATM 8 O PCA A 1 -6.071 1.650 -0.097 1.00 0.00 O HETATM 9 H1 PCA A 1 -8.514 2.940 -2.278 1.00 0.00 H HETATM 10 H2 PCA A 1 -8.930 1.334 -2.594 1.00 0.00 H HETATM 11 H3 PCA A 1 -7.308 1.760 -2.390 1.00 0.00 H HETATM 12 HA PCA A 1 -9.069 0.847 -0.547 1.00 0.00 H HETATM 13 HB2 PCA A 1 -8.632 3.456 0.621 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.131 2.543 0.361 1.00 0.00 H HETATM 15 HG2 PCA A 1 -10.597 3.811 -1.457 1.00 0.00 H HETATM 16 HG3 PCA A 1 -9.102 4.739 -1.184 1.00 0.00 H ATOM 17 N ASN A 2 -7.419 0.314 1.117 1.00 0.00 N ATOM 18 CA ASN A 2 -6.346 -0.234 1.946 1.00 0.00 C ATOM 19 C ASN A 2 -5.442 -1.170 1.159 1.00 0.00 C ATOM 20 O ASN A 2 -5.515 -2.383 1.298 1.00 0.00 O ATOM 21 CB ASN A 2 -6.917 -0.985 3.142 1.00 0.00 C ATOM 22 CG ASN A 2 -7.254 -0.076 4.303 1.00 0.00 C ATOM 23 OD1 ASN A 2 -8.087 0.820 4.186 1.00 0.00 O ATOM 24 ND2 ASN A 2 -6.598 -0.306 5.432 1.00 0.00 N ATOM 25 H ASN A 2 -8.336 0.007 1.274 1.00 0.00 H ATOM 26 HA ASN A 2 -5.755 0.594 2.307 1.00 0.00 H ATOM 27 HB2 ASN A 2 -7.805 -1.494 2.833 1.00 0.00 H ATOM 28 HB3 ASN A 2 -6.192 -1.712 3.478 1.00 0.00 H ATOM 29 HD21 ASN A 2 -5.947 -1.039 5.448 1.00 0.00 H ATOM 30 HD22 ASN A 2 -6.781 0.268 6.200 1.00 0.00 H ATOM 31 N CYS A 3 -4.603 -0.598 0.324 1.00 0.00 N ATOM 32 CA CYS A 3 -3.682 -1.370 -0.492 1.00 0.00 C ATOM 33 C CYS A 3 -2.253 -1.398 0.080 1.00 0.00 C ATOM 34 O CYS A 3 -1.434 -2.224 -0.321 1.00 0.00 O ATOM 35 CB CYS A 3 -3.659 -0.777 -1.907 1.00 0.00 C ATOM 36 SG CYS A 3 -2.527 -1.615 -3.063 1.00 0.00 S ATOM 37 H CYS A 3 -4.604 0.382 0.246 1.00 0.00 H ATOM 38 HA CYS A 3 -4.055 -2.380 -0.547 1.00 0.00 H ATOM 39 HB2 CYS A 3 -4.651 -0.834 -2.327 1.00 0.00 H ATOM 40 HB3 CYS A 3 -3.360 0.259 -1.848 1.00 0.00 H ATOM 41 N CYS A 4 -1.923 -0.434 0.936 1.00 0.00 N ATOM 42 CA CYS A 4 -0.552 -0.284 1.427 1.00 0.00 C ATOM 43 C CYS A 4 -0.313 -0.244 2.950 1.00 0.00 C ATOM 44 O CYS A 4 0.162 0.759 3.465 1.00 0.00 O ATOM 45 CB CYS A 4 -0.048 1.021 0.860 1.00 0.00 C ATOM 46 SG CYS A 4 -1.196 1.824 -0.302 1.00 0.00 S ATOM 47 H CYS A 4 -2.584 0.232 1.175 1.00 0.00 H ATOM 48 HA CYS A 4 0.040 -1.076 1.003 1.00 0.00 H ATOM 49 HB2 CYS A 4 0.136 1.711 1.669 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.871 0.838 0.334 1.00 0.00 H ATOM 51 N ASN A 5 -0.567 -1.326 3.659 1.00 0.00 N ATOM 52 CA ASN A 5 -0.266 -1.370 5.097 1.00 0.00 C ATOM 53 C ASN A 5 0.970 -2.223 5.212 1.00 0.00 C ATOM 54 O ASN A 5 1.864 -1.997 6.020 1.00 0.00 O ATOM 55 CB ASN A 5 -1.423 -1.958 5.924 1.00 0.00 C ATOM 56 CG ASN A 5 -1.144 -2.003 7.417 1.00 0.00 C ATOM 57 OD1 ASN A 5 -0.237 -2.687 7.878 1.00 0.00 O ATOM 58 ND2 ASN A 5 -1.945 -1.280 8.186 1.00 0.00 N ATOM 59 H ASN A 5 -0.907 -2.128 3.215 1.00 0.00 H ATOM 60 HA ASN A 5 -0.042 -0.365 5.431 1.00 0.00 H ATOM 61 HB2 ASN A 5 -2.301 -1.350 5.768 1.00 0.00 H ATOM 62 HB3 ASN A 5 -1.631 -2.960 5.583 1.00 0.00 H ATOM 63 HD21 ASN A 5 -2.664 -0.766 7.756 1.00 0.00 H ATOM 64 HD22 ASN A 5 -1.787 -1.290 9.152 1.00 0.00 H ATOM 65 N GLY A 6 0.995 -3.187 4.313 1.00 0.00 N ATOM 66 CA GLY A 6 2.088 -4.109 4.187 1.00 0.00 C ATOM 67 C GLY A 6 1.931 -4.885 2.910 1.00 0.00 C ATOM 68 O GLY A 6 2.180 -6.085 2.858 1.00 0.00 O ATOM 69 H GLY A 6 0.244 -3.255 3.692 1.00 0.00 H ATOM 70 HA2 GLY A 6 3.014 -3.561 4.162 1.00 0.00 H ATOM 71 HA3 GLY A 6 2.086 -4.791 5.021 1.00 0.00 H ATOM 72 N GLY A 7 1.476 -4.182 1.876 1.00 0.00 N ATOM 73 CA GLY A 7 1.243 -4.815 0.599 1.00 0.00 C ATOM 74 C GLY A 7 -0.110 -5.476 0.584 1.00 0.00 C ATOM 75 O GLY A 7 -0.273 -6.561 0.039 1.00 0.00 O ATOM 76 H GLY A 7 1.273 -3.228 1.992 1.00 0.00 H ATOM 77 HA2 GLY A 7 1.288 -4.070 -0.183 1.00 0.00 H ATOM 78 HA3 GLY A 7 2.004 -5.562 0.427 1.00 0.00 H ATOM 79 N CYS A 8 -1.072 -4.803 1.218 1.00 0.00 N ATOM 80 CA CYS A 8 -2.439 -5.298 1.325 1.00 0.00 C ATOM 81 C CYS A 8 -2.972 -5.734 -0.042 1.00 0.00 C ATOM 82 O CYS A 8 -3.343 -6.889 -0.232 1.00 0.00 O ATOM 83 CB CYS A 8 -3.349 -4.212 1.941 1.00 0.00 C ATOM 84 SG CYS A 8 -2.659 -3.404 3.437 1.00 0.00 S ATOM 85 H CYS A 8 -0.846 -3.956 1.643 1.00 0.00 H ATOM 86 HA CYS A 8 -2.428 -6.154 1.977 1.00 0.00 H ATOM 87 HB2 CYS A 8 -3.524 -3.441 1.206 1.00 0.00 H ATOM 88 HB3 CYS A 8 -4.290 -4.659 2.215 1.00 0.00 H ATOM 89 N SER A 9 -3.010 -4.807 -0.988 1.00 0.00 N ATOM 90 CA SER A 9 -3.496 -5.118 -2.328 1.00 0.00 C ATOM 91 C SER A 9 -2.365 -5.326 -3.354 1.00 0.00 C ATOM 92 O SER A 9 -2.447 -6.225 -4.189 1.00 0.00 O ATOM 93 CB SER A 9 -4.466 -4.041 -2.807 1.00 0.00 C ATOM 94 OG SER A 9 -5.436 -3.754 -1.810 1.00 0.00 O ATOM 95 H SER A 9 -2.699 -3.905 -0.785 1.00 0.00 H ATOM 96 HA SER A 9 -4.041 -6.046 -2.251 1.00 0.00 H ATOM 97 HB2 SER A 9 -3.918 -3.137 -3.029 1.00 0.00 H ATOM 98 HB3 SER A 9 -4.973 -4.384 -3.697 1.00 0.00 H ATOM 99 HG SER A 9 -5.703 -4.574 -1.382 1.00 0.00 H ATOM 100 N SER A 10 -1.332 -4.469 -3.336 1.00 0.00 N ATOM 101 CA SER A 10 -0.250 -4.578 -4.324 1.00 0.00 C ATOM 102 C SER A 10 1.114 -4.091 -3.805 1.00 0.00 C ATOM 103 O SER A 10 1.230 -3.544 -2.703 1.00 0.00 O ATOM 104 CB SER A 10 -0.626 -3.800 -5.588 1.00 0.00 C ATOM 105 OG SER A 10 -1.801 -4.325 -6.180 1.00 0.00 O ATOM 106 H SER A 10 -1.318 -3.739 -2.684 1.00 0.00 H ATOM 107 HA SER A 10 -0.158 -5.621 -4.584 1.00 0.00 H ATOM 108 HB2 SER A 10 -0.798 -2.765 -5.334 1.00 0.00 H ATOM 109 HB3 SER A 10 0.182 -3.866 -6.302 1.00 0.00 H ATOM 110 HG SER A 10 -2.127 -5.064 -5.647 1.00 0.00 H ATOM 111 N LYS A 11 2.146 -4.330 -4.626 1.00 0.00 N ATOM 112 CA LYS A 11 3.534 -3.978 -4.313 1.00 0.00 C ATOM 113 C LYS A 11 3.772 -2.468 -4.259 1.00 0.00 C ATOM 114 O LYS A 11 4.399 -1.992 -3.318 1.00 0.00 O ATOM 115 CB LYS A 11 4.477 -4.626 -5.342 1.00 0.00 C ATOM 116 CG LYS A 11 5.966 -4.488 -5.021 1.00 0.00 C ATOM 117 CD LYS A 11 6.575 -3.223 -5.619 1.00 0.00 C ATOM 118 CE LYS A 11 8.063 -3.116 -5.310 1.00 0.00 C ATOM 119 NZ LYS A 11 8.677 -1.900 -5.915 1.00 0.00 N ATOM 120 H LYS A 11 1.964 -4.786 -5.471 1.00 0.00 H ATOM 121 HA LYS A 11 3.759 -4.390 -3.342 1.00 0.00 H ATOM 122 HB2 LYS A 11 4.245 -5.678 -5.406 1.00 0.00 H ATOM 123 HB3 LYS A 11 4.298 -4.172 -6.306 1.00 0.00 H ATOM 124 HG2 LYS A 11 6.089 -4.457 -3.949 1.00 0.00 H ATOM 125 HG3 LYS A 11 6.488 -5.348 -5.418 1.00 0.00 H ATOM 126 HD2 LYS A 11 6.441 -3.242 -6.690 1.00 0.00 H ATOM 127 HD3 LYS A 11 6.067 -2.363 -5.206 1.00 0.00 H ATOM 128 HE2 LYS A 11 8.192 -3.076 -4.239 1.00 0.00 H ATOM 129 HE3 LYS A 11 8.561 -3.991 -5.699 1.00 0.00 H ATOM 130 HZ1 LYS A 11 8.901 -1.196 -5.167 1.00 0.00 H ATOM 131 HZ2 LYS A 11 8.023 -1.463 -6.592 1.00 0.00 H ATOM 132 HZ3 LYS A 11 9.556 -2.148 -6.408 1.00 0.00 H ATOM 133 N TRP A 12 3.293 -1.721 -5.263 1.00 0.00 N ATOM 134 CA TRP A 12 3.490 -0.261 -5.295 1.00 0.00 C ATOM 135 C TRP A 12 3.068 0.346 -3.991 1.00 0.00 C ATOM 136 O TRP A 12 3.717 1.238 -3.457 1.00 0.00 O ATOM 137 CB TRP A 12 2.690 0.398 -6.447 1.00 0.00 C ATOM 138 CG TRP A 12 2.595 1.915 -6.370 1.00 0.00 C ATOM 139 CD1 TRP A 12 3.312 2.838 -7.081 1.00 0.00 C ATOM 140 CD2 TRP A 12 1.730 2.673 -5.511 1.00 0.00 C ATOM 141 NE1 TRP A 12 2.934 4.117 -6.714 1.00 0.00 N ATOM 142 CE2 TRP A 12 1.963 4.035 -5.743 1.00 0.00 C ATOM 143 CE3 TRP A 12 0.785 2.309 -4.570 1.00 0.00 C ATOM 144 CZ2 TRP A 12 1.268 5.037 -5.048 1.00 0.00 C ATOM 145 CZ3 TRP A 12 0.100 3.284 -3.875 1.00 0.00 C ATOM 146 CH2 TRP A 12 0.338 4.637 -4.112 1.00 0.00 C ATOM 147 H TRP A 12 2.809 -2.154 -5.996 1.00 0.00 H ATOM 148 HA TRP A 12 4.529 -0.072 -5.424 1.00 0.00 H ATOM 149 HB2 TRP A 12 3.154 0.147 -7.383 1.00 0.00 H ATOM 150 HB3 TRP A 12 1.683 0.004 -6.440 1.00 0.00 H ATOM 151 HD1 TRP A 12 4.057 2.590 -7.822 1.00 0.00 H ATOM 152 HE1 TRP A 12 3.301 4.945 -7.085 1.00 0.00 H ATOM 153 HE3 TRP A 12 0.603 1.264 -4.367 1.00 0.00 H ATOM 154 HZ2 TRP A 12 1.446 6.087 -5.227 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -0.634 3.002 -3.135 1.00 0.00 H ATOM 156 HH2 TRP A 12 -0.218 5.368 -3.526 1.00 0.00 H ATOM 157 N CYS A 13 1.953 -0.130 -3.518 1.00 0.00 N ATOM 158 CA CYS A 13 1.366 0.356 -2.309 1.00 0.00 C ATOM 159 C CYS A 13 2.302 0.236 -1.117 1.00 0.00 C ATOM 160 O CYS A 13 2.495 1.195 -0.374 1.00 0.00 O ATOM 161 CB CYS A 13 0.077 -0.409 -2.089 1.00 0.00 C ATOM 162 SG CYS A 13 -1.109 -0.228 -3.458 1.00 0.00 S ATOM 163 H CYS A 13 1.484 -0.823 -4.023 1.00 0.00 H ATOM 164 HA CYS A 13 1.126 1.397 -2.456 1.00 0.00 H ATOM 165 HB2 CYS A 13 0.301 -1.460 -1.981 1.00 0.00 H ATOM 166 HB3 CYS A 13 -0.401 -0.050 -1.189 1.00 0.00 H ATOM 167 N ARG A 14 2.899 -0.923 -0.940 1.00 0.00 N ATOM 168 CA ARG A 14 3.808 -1.119 0.188 1.00 0.00 C ATOM 169 C ARG A 14 5.164 -0.514 -0.093 1.00 0.00 C ATOM 170 O ARG A 14 6.028 -0.449 0.776 1.00 0.00 O ATOM 171 CB ARG A 14 3.955 -2.595 0.518 1.00 0.00 C ATOM 172 CG ARG A 14 4.456 -3.454 -0.628 1.00 0.00 C ATOM 173 CD ARG A 14 5.798 -4.067 -0.295 1.00 0.00 C ATOM 174 NE ARG A 14 6.890 -3.108 -0.420 1.00 0.00 N ATOM 175 CZ ARG A 14 8.106 -3.305 0.087 1.00 0.00 C ATOM 176 NH1 ARG A 14 8.315 -4.326 0.909 1.00 0.00 N ATOM 177 NH2 ARG A 14 9.098 -2.467 -0.191 1.00 0.00 N ATOM 178 H ARG A 14 2.743 -1.652 -1.587 1.00 0.00 H ATOM 179 HA ARG A 14 3.376 -0.615 1.042 1.00 0.00 H ATOM 180 HB2 ARG A 14 4.648 -2.695 1.339 1.00 0.00 H ATOM 181 HB3 ARG A 14 3.000 -2.969 0.824 1.00 0.00 H ATOM 182 HG2 ARG A 14 3.744 -4.244 -0.814 1.00 0.00 H ATOM 183 HG3 ARG A 14 4.557 -2.840 -1.511 1.00 0.00 H ATOM 184 HD2 ARG A 14 5.766 -4.420 0.719 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.979 -4.897 -0.962 1.00 0.00 H ATOM 186 HE ARG A 14 6.716 -2.295 -0.945 1.00 0.00 H ATOM 187 HH11 ARG A 14 7.559 -4.939 1.146 1.00 0.00 H ATOM 188 HH12 ARG A 14 9.225 -4.488 1.295 1.00 0.00 H ATOM 189 HH21 ARG A 14 8.942 -1.669 -0.804 1.00 0.00 H ATOM 190 HH22 ARG A 14 10.007 -2.611 0.197 1.00 0.00 H ATOM 191 N ASP A 15 5.338 -0.096 -1.321 1.00 0.00 N ATOM 192 CA ASP A 15 6.580 0.491 -1.762 1.00 0.00 C ATOM 193 C ASP A 15 6.397 1.979 -1.994 1.00 0.00 C ATOM 194 O ASP A 15 7.140 2.600 -2.756 1.00 0.00 O ATOM 195 CB ASP A 15 7.027 -0.196 -3.050 1.00 0.00 C ATOM 196 CG ASP A 15 8.527 -0.326 -3.158 1.00 0.00 C ATOM 197 OD1 ASP A 15 9.142 -0.837 -2.204 1.00 0.00 O ATOM 198 OD2 ASP A 15 9.078 0.010 -4.226 1.00 0.00 O ATOM 199 H ASP A 15 4.605 -0.190 -1.958 1.00 0.00 H ATOM 200 HA ASP A 15 7.322 0.334 -0.996 1.00 0.00 H ATOM 201 HB2 ASP A 15 6.598 -1.186 -3.089 1.00 0.00 H ATOM 202 HB3 ASP A 15 6.673 0.377 -3.895 1.00 0.00 H ATOM 203 N HIS A 16 5.391 2.561 -1.351 1.00 0.00 N ATOM 204 CA HIS A 16 5.146 3.976 -1.534 1.00 0.00 C ATOM 205 C HIS A 16 4.519 4.649 -0.323 1.00 0.00 C ATOM 206 O HIS A 16 4.852 5.800 -0.039 1.00 0.00 O ATOM 207 CB HIS A 16 4.267 4.229 -2.755 1.00 0.00 C ATOM 208 CG HIS A 16 4.528 5.560 -3.383 1.00 0.00 C ATOM 209 ND1 HIS A 16 5.726 5.878 -3.988 1.00 0.00 N ATOM 210 CD2 HIS A 16 3.753 6.666 -3.482 1.00 0.00 C ATOM 211 CE1 HIS A 16 5.677 7.119 -4.432 1.00 0.00 C ATOM 212 NE2 HIS A 16 4.491 7.620 -4.139 1.00 0.00 N ATOM 213 H HIS A 16 4.809 2.030 -0.768 1.00 0.00 H ATOM 214 HA HIS A 16 6.101 4.438 -1.710 1.00 0.00 H ATOM 215 HB2 HIS A 16 4.452 3.465 -3.495 1.00 0.00 H ATOM 216 HB3 HIS A 16 3.229 4.196 -2.459 1.00 0.00 H ATOM 217 HD1 HIS A 16 6.501 5.278 -4.073 1.00 0.00 H ATOM 218 HD2 HIS A 16 2.743 6.777 -3.114 1.00 0.00 H ATOM 219 HE1 HIS A 16 6.472 7.638 -4.948 1.00 0.00 H ATOM 220 N ALA A 17 3.596 3.985 0.374 1.00 0.00 N ATOM 221 CA ALA A 17 2.952 4.641 1.515 1.00 0.00 C ATOM 222 C ALA A 17 2.161 3.712 2.387 1.00 0.00 C ATOM 223 O ALA A 17 1.938 2.559 2.062 1.00 0.00 O ATOM 224 CB ALA A 17 2.040 5.762 1.032 1.00 0.00 C ATOM 225 H ALA A 17 3.327 3.065 0.109 1.00 0.00 H ATOM 226 HA ALA A 17 3.709 5.080 2.122 1.00 0.00 H ATOM 227 HB1 ALA A 17 2.294 6.679 1.542 1.00 0.00 H ATOM 228 HB2 ALA A 17 1.011 5.503 1.245 1.00 0.00 H ATOM 229 HB3 ALA A 17 2.165 5.895 -0.032 1.00 0.00 H ATOM 230 N ARG A 18 1.722 4.264 3.504 1.00 0.00 N ATOM 231 CA ARG A 18 0.911 3.545 4.455 1.00 0.00 C ATOM 232 C ARG A 18 -0.560 3.854 4.193 1.00 0.00 C ATOM 233 O ARG A 18 -1.341 4.054 5.123 1.00 0.00 O ATOM 234 CB ARG A 18 1.323 3.893 5.899 1.00 0.00 C ATOM 235 CG ARG A 18 1.567 5.379 6.163 1.00 0.00 C ATOM 236 CD ARG A 18 0.272 6.147 6.387 1.00 0.00 C ATOM 237 NE ARG A 18 0.505 7.565 6.667 1.00 0.00 N ATOM 238 CZ ARG A 18 -0.472 8.450 6.879 1.00 0.00 C ATOM 239 NH1 ARG A 18 -1.743 8.062 6.833 1.00 0.00 N ATOM 240 NH2 ARG A 18 -0.176 9.720 7.136 1.00 0.00 N ATOM 241 H ARG A 18 1.934 5.203 3.678 1.00 0.00 H ATOM 242 HA ARG A 18 1.074 2.489 4.289 1.00 0.00 H ATOM 243 HB2 ARG A 18 0.543 3.561 6.568 1.00 0.00 H ATOM 244 HB3 ARG A 18 2.232 3.357 6.134 1.00 0.00 H ATOM 245 HG2 ARG A 18 2.185 5.479 7.042 1.00 0.00 H ATOM 246 HG3 ARG A 18 2.082 5.803 5.312 1.00 0.00 H ATOM 247 HD2 ARG A 18 -0.338 6.062 5.500 1.00 0.00 H ATOM 248 HD3 ARG A 18 -0.250 5.706 7.224 1.00 0.00 H ATOM 249 HE ARG A 18 1.439 7.868 6.703 1.00 0.00 H ATOM 250 HH11 ARG A 18 -1.971 7.104 6.640 1.00 0.00 H ATOM 251 HH12 ARG A 18 -2.480 8.722 6.993 1.00 0.00 H ATOM 252 HH21 ARG A 18 0.780 10.019 7.172 1.00 0.00 H ATOM 253 HH22 ARG A 18 -0.908 10.387 7.295 1.00 0.00 H ATOM 254 N CYS A 19 -0.930 3.894 2.908 1.00 0.00 N ATOM 255 CA CYS A 19 -2.307 4.180 2.508 1.00 0.00 C ATOM 256 C CYS A 19 -3.261 3.146 3.109 1.00 0.00 C ATOM 257 O CYS A 19 -4.460 3.380 3.224 1.00 0.00 O ATOM 258 CB CYS A 19 -2.454 4.213 0.987 1.00 0.00 C ATOM 259 SG CYS A 19 -0.941 3.791 0.079 1.00 0.00 S ATOM 260 H CYS A 19 -0.257 3.727 2.212 1.00 0.00 H ATOM 261 HA CYS A 19 -2.556 5.155 2.886 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.217 3.509 0.692 1.00 0.00 H ATOM 263 HB3 CYS A 19 -2.752 5.206 0.685 1.00 0.00 H ATOM 264 N CYS A 20 -2.705 2.001 3.505 1.00 0.00 N ATOM 265 CA CYS A 20 -3.515 0.925 4.125 1.00 0.00 C ATOM 266 C CYS A 20 -3.150 0.773 5.599 1.00 0.00 C ATOM 267 O CYS A 20 -3.820 0.067 6.351 1.00 0.00 O ATOM 268 CB CYS A 20 -3.316 -0.390 3.347 1.00 0.00 C ATOM 269 SG CYS A 20 -3.991 -1.954 4.035 1.00 0.00 S ATOM 270 H CYS A 20 -1.708 1.888 3.393 1.00 0.00 H ATOM 271 HA CYS A 20 -4.553 1.218 4.058 1.00 0.00 H ATOM 272 HB2 CYS A 20 -3.763 -0.272 2.374 1.00 0.00 H ATOM 273 HB3 CYS A 20 -2.254 -0.536 3.211 1.00 0.00 H HETATM 274 N NH2 A 21 -2.088 1.447 6.017 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -2.017 2.396 5.773 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -1.420 0.973 6.554 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 6 HETATM 1 N PCA A 1 -8.529 2.114 -1.716 1.00 0.00 N HETATM 2 CA PCA A 1 -7.519 1.098 -2.127 1.00 0.00 C HETATM 3 CB PCA A 1 -8.383 -0.139 -2.460 1.00 0.00 C HETATM 4 CG PCA A 1 -9.834 0.257 -2.205 1.00 0.00 C HETATM 5 CD PCA A 1 -9.775 1.698 -1.744 1.00 0.00 C HETATM 6 OE PCA A 1 -10.754 2.363 -1.440 1.00 0.00 O HETATM 7 C PCA A 1 -6.254 0.932 -1.342 1.00 0.00 C HETATM 8 O PCA A 1 -5.163 1.020 -1.890 1.00 0.00 O HETATM 9 H1 PCA A 1 -8.723 2.764 -2.503 1.00 0.00 H HETATM 10 H2 PCA A 1 -8.171 2.665 -0.910 1.00 0.00 H HETATM 11 H3 PCA A 1 -9.418 1.652 -1.436 1.00 0.00 H HETATM 12 HA PCA A 1 -7.172 1.453 -3.087 1.00 0.00 H HETATM 13 HB2 PCA A 1 -8.113 -0.966 -1.819 1.00 0.00 H HETATM 14 HB3 PCA A 1 -8.257 -0.413 -3.498 1.00 0.00 H HETATM 15 HG2 PCA A 1 -10.409 0.182 -3.118 1.00 0.00 H HETATM 16 HG3 PCA A 1 -10.261 -0.365 -1.429 1.00 0.00 H ATOM 17 N ASN A 2 -6.400 0.701 -0.043 1.00 0.00 N ATOM 18 CA ASN A 2 -5.256 0.528 0.850 1.00 0.00 C ATOM 19 C ASN A 2 -4.563 -0.805 0.640 1.00 0.00 C ATOM 20 O ASN A 2 -4.677 -1.698 1.463 1.00 0.00 O ATOM 21 CB ASN A 2 -5.689 0.622 2.307 1.00 0.00 C ATOM 22 CG ASN A 2 -5.618 2.027 2.856 1.00 0.00 C ATOM 23 OD1 ASN A 2 -6.258 2.943 2.338 1.00 0.00 O ATOM 24 ND2 ASN A 2 -4.842 2.198 3.917 1.00 0.00 N ATOM 25 H ASN A 2 -7.301 0.648 0.335 1.00 0.00 H ATOM 26 HA ASN A 2 -4.553 1.322 0.644 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.697 0.273 2.385 1.00 0.00 H ATOM 28 HB3 ASN A 2 -5.048 -0.010 2.905 1.00 0.00 H ATOM 29 HD21 ASN A 2 -4.371 1.415 4.282 1.00 0.00 H ATOM 30 HD22 ASN A 2 -4.751 3.095 4.286 1.00 0.00 H ATOM 31 N CYS A 3 -3.857 -0.946 -0.455 1.00 0.00 N ATOM 32 CA CYS A 3 -3.142 -2.177 -0.735 1.00 0.00 C ATOM 33 C CYS A 3 -1.636 -2.042 -0.458 1.00 0.00 C ATOM 34 O CYS A 3 -0.909 -3.031 -0.363 1.00 0.00 O ATOM 35 CB CYS A 3 -3.379 -2.583 -2.189 1.00 0.00 C ATOM 36 SG CYS A 3 -2.899 -1.334 -3.414 1.00 0.00 S ATOM 37 H CYS A 3 -3.805 -0.199 -1.096 1.00 0.00 H ATOM 38 HA CYS A 3 -3.545 -2.944 -0.091 1.00 0.00 H ATOM 39 HB2 CYS A 3 -2.812 -3.478 -2.399 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.430 -2.792 -2.328 1.00 0.00 H ATOM 41 N CYS A 4 -1.176 -0.802 -0.442 1.00 0.00 N ATOM 42 CA CYS A 4 0.246 -0.457 -0.325 1.00 0.00 C ATOM 43 C CYS A 4 0.757 -0.140 1.084 1.00 0.00 C ATOM 44 O CYS A 4 0.993 1.016 1.418 1.00 0.00 O ATOM 45 CB CYS A 4 0.498 0.749 -1.215 1.00 0.00 C ATOM 46 SG CYS A 4 -0.717 0.972 -2.541 1.00 0.00 S ATOM 47 H CYS A 4 -1.809 -0.086 -0.587 1.00 0.00 H ATOM 48 HA CYS A 4 0.814 -1.284 -0.717 1.00 0.00 H ATOM 49 HB2 CYS A 4 0.486 1.641 -0.608 1.00 0.00 H ATOM 50 HB3 CYS A 4 1.470 0.647 -1.674 1.00 0.00 H ATOM 51 N ASN A 5 0.967 -1.161 1.878 1.00 0.00 N ATOM 52 CA ASN A 5 1.511 -1.007 3.230 1.00 0.00 C ATOM 53 C ASN A 5 2.227 -2.287 3.565 1.00 0.00 C ATOM 54 O ASN A 5 3.287 -2.305 4.181 1.00 0.00 O ATOM 55 CB ASN A 5 0.421 -0.685 4.263 1.00 0.00 C ATOM 56 CG ASN A 5 0.874 -0.875 5.698 1.00 0.00 C ATOM 57 OD1 ASN A 5 1.831 -0.251 6.148 1.00 0.00 O ATOM 58 ND2 ASN A 5 0.174 -1.728 6.430 1.00 0.00 N ATOM 59 H ASN A 5 0.795 -2.058 1.540 1.00 0.00 H ATOM 60 HA ASN A 5 2.233 -0.202 3.205 1.00 0.00 H ATOM 61 HB2 ASN A 5 0.130 0.347 4.142 1.00 0.00 H ATOM 62 HB3 ASN A 5 -0.443 -1.311 4.086 1.00 0.00 H ATOM 63 HD21 ASN A 5 -0.586 -2.183 6.013 1.00 0.00 H ATOM 64 HD22 ASN A 5 0.442 -1.862 7.361 1.00 0.00 H ATOM 65 N GLY A 6 1.631 -3.362 3.096 1.00 0.00 N ATOM 66 CA GLY A 6 2.196 -4.671 3.288 1.00 0.00 C ATOM 67 C GLY A 6 1.584 -5.653 2.333 1.00 0.00 C ATOM 68 O GLY A 6 1.458 -6.833 2.639 1.00 0.00 O ATOM 69 H GLY A 6 0.798 -3.261 2.590 1.00 0.00 H ATOM 70 HA2 GLY A 6 3.258 -4.624 3.116 1.00 0.00 H ATOM 71 HA3 GLY A 6 2.010 -4.997 4.300 1.00 0.00 H ATOM 72 N GLY A 7 1.179 -5.152 1.165 1.00 0.00 N ATOM 73 CA GLY A 7 0.556 -6.011 0.188 1.00 0.00 C ATOM 74 C GLY A 7 -0.835 -6.351 0.631 1.00 0.00 C ATOM 75 O GLY A 7 -1.311 -7.462 0.429 1.00 0.00 O ATOM 76 H GLY A 7 1.285 -4.190 0.977 1.00 0.00 H ATOM 77 HA2 GLY A 7 0.519 -5.503 -0.766 1.00 0.00 H ATOM 78 HA3 GLY A 7 1.130 -6.920 0.091 1.00 0.00 H ATOM 79 N CYS A 8 -1.465 -5.362 1.261 1.00 0.00 N ATOM 80 CA CYS A 8 -2.810 -5.492 1.786 1.00 0.00 C ATOM 81 C CYS A 8 -3.733 -6.075 0.712 1.00 0.00 C ATOM 82 O CYS A 8 -4.268 -7.170 0.867 1.00 0.00 O ATOM 83 CB CYS A 8 -3.295 -4.108 2.276 1.00 0.00 C ATOM 84 SG CYS A 8 -1.993 -3.115 3.125 1.00 0.00 S ATOM 85 H CYS A 8 -0.994 -4.516 1.386 1.00 0.00 H ATOM 86 HA CYS A 8 -2.776 -6.171 2.621 1.00 0.00 H ATOM 87 HB2 CYS A 8 -3.643 -3.536 1.428 1.00 0.00 H ATOM 88 HB3 CYS A 8 -4.110 -4.245 2.971 1.00 0.00 H ATOM 89 N SER A 9 -3.895 -5.351 -0.384 1.00 0.00 N ATOM 90 CA SER A 9 -4.722 -5.822 -1.490 1.00 0.00 C ATOM 91 C SER A 9 -3.888 -6.370 -2.667 1.00 0.00 C ATOM 92 O SER A 9 -4.338 -7.264 -3.381 1.00 0.00 O ATOM 93 CB SER A 9 -5.668 -4.719 -1.967 1.00 0.00 C ATOM 94 OG SER A 9 -6.340 -4.120 -0.871 1.00 0.00 O ATOM 95 H SER A 9 -3.431 -4.502 -0.459 1.00 0.00 H ATOM 96 HA SER A 9 -5.321 -6.634 -1.107 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.101 -3.960 -2.485 1.00 0.00 H ATOM 98 HB3 SER A 9 -6.402 -5.142 -2.638 1.00 0.00 H ATOM 99 HG SER A 9 -6.697 -4.811 -0.302 1.00 0.00 H ATOM 100 N SER A 10 -2.693 -5.803 -2.910 1.00 0.00 N ATOM 101 CA SER A 10 -1.868 -6.237 -4.048 1.00 0.00 C ATOM 102 C SER A 10 -0.356 -6.107 -3.788 1.00 0.00 C ATOM 103 O SER A 10 0.078 -5.449 -2.839 1.00 0.00 O ATOM 104 CB SER A 10 -2.251 -5.439 -5.296 1.00 0.00 C ATOM 105 OG SER A 10 -3.624 -5.603 -5.603 1.00 0.00 O ATOM 106 H SER A 10 -2.382 -5.072 -2.345 1.00 0.00 H ATOM 107 HA SER A 10 -2.091 -7.277 -4.228 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.057 -4.390 -5.124 1.00 0.00 H ATOM 109 HB3 SER A 10 -1.663 -5.781 -6.134 1.00 0.00 H ATOM 110 HG SER A 10 -3.999 -6.296 -5.042 1.00 0.00 H ATOM 111 N LYS A 11 0.429 -6.778 -4.643 1.00 0.00 N ATOM 112 CA LYS A 11 1.889 -6.818 -4.551 1.00 0.00 C ATOM 113 C LYS A 11 2.571 -5.492 -4.913 1.00 0.00 C ATOM 114 O LYS A 11 3.400 -5.013 -4.142 1.00 0.00 O ATOM 115 CB LYS A 11 2.418 -7.935 -5.451 1.00 0.00 C ATOM 116 CG LYS A 11 3.924 -8.116 -5.385 1.00 0.00 C ATOM 117 CD LYS A 11 4.391 -9.226 -6.311 1.00 0.00 C ATOM 118 CE LYS A 11 3.877 -10.588 -5.867 1.00 0.00 C ATOM 119 NZ LYS A 11 4.354 -11.681 -6.759 1.00 0.00 N ATOM 120 H LYS A 11 0.004 -7.289 -5.353 1.00 0.00 H ATOM 121 HA LYS A 11 2.141 -7.060 -3.530 1.00 0.00 H ATOM 122 HB2 LYS A 11 1.954 -8.865 -5.160 1.00 0.00 H ATOM 123 HB3 LYS A 11 2.149 -7.714 -6.473 1.00 0.00 H ATOM 124 HG2 LYS A 11 4.401 -7.193 -5.676 1.00 0.00 H ATOM 125 HG3 LYS A 11 4.203 -8.364 -4.371 1.00 0.00 H ATOM 126 HD2 LYS A 11 4.030 -9.025 -7.308 1.00 0.00 H ATOM 127 HD3 LYS A 11 5.467 -9.241 -6.315 1.00 0.00 H ATOM 128 HE2 LYS A 11 4.223 -10.779 -4.862 1.00 0.00 H ATOM 129 HE3 LYS A 11 2.797 -10.571 -5.878 1.00 0.00 H ATOM 130 HZ1 LYS A 11 4.480 -12.558 -6.214 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.265 -11.421 -7.188 1.00 0.00 H ATOM 132 HZ3 LYS A 11 3.663 -11.853 -7.517 1.00 0.00 H ATOM 133 N TRP A 12 2.238 -4.906 -6.077 1.00 0.00 N ATOM 134 CA TRP A 12 2.853 -3.631 -6.503 1.00 0.00 C ATOM 135 C TRP A 12 2.761 -2.626 -5.388 1.00 0.00 C ATOM 136 O TRP A 12 3.664 -1.828 -5.153 1.00 0.00 O ATOM 137 CB TRP A 12 2.162 -3.052 -7.763 1.00 0.00 C ATOM 138 CG TRP A 12 2.511 -1.601 -8.054 1.00 0.00 C ATOM 139 CD1 TRP A 12 3.414 -1.118 -8.960 1.00 0.00 C ATOM 140 CD2 TRP A 12 1.965 -0.451 -7.396 1.00 0.00 C ATOM 141 NE1 TRP A 12 3.448 0.264 -8.902 1.00 0.00 N ATOM 142 CE2 TRP A 12 2.565 0.692 -7.939 1.00 0.00 C ATOM 143 CE3 TRP A 12 1.023 -0.302 -6.395 1.00 0.00 C ATOM 144 CZ2 TRP A 12 2.239 1.984 -7.496 1.00 0.00 C ATOM 145 CZ3 TRP A 12 0.698 0.960 -5.947 1.00 0.00 C ATOM 146 CH2 TRP A 12 1.299 2.094 -6.494 1.00 0.00 C ATOM 147 H TRP A 12 1.577 -5.334 -6.657 1.00 0.00 H ATOM 148 HA TRP A 12 3.885 -3.809 -6.712 1.00 0.00 H ATOM 149 HB2 TRP A 12 2.447 -3.637 -8.619 1.00 0.00 H ATOM 150 HB3 TRP A 12 1.091 -3.115 -7.634 1.00 0.00 H ATOM 151 HD1 TRP A 12 4.002 -1.735 -9.622 1.00 0.00 H ATOM 152 HE1 TRP A 12 4.012 0.841 -9.455 1.00 0.00 H ATOM 153 HE3 TRP A 12 0.564 -1.172 -5.959 1.00 0.00 H ATOM 154 HZ2 TRP A 12 2.700 2.866 -7.915 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -0.035 1.080 -5.163 1.00 0.00 H ATOM 156 HH2 TRP A 12 1.018 3.068 -6.094 1.00 0.00 H ATOM 157 N CYS A 13 1.635 -2.670 -4.730 1.00 0.00 N ATOM 158 CA CYS A 13 1.330 -1.777 -3.655 1.00 0.00 C ATOM 159 C CYS A 13 2.394 -1.790 -2.565 1.00 0.00 C ATOM 160 O CYS A 13 2.818 -0.740 -2.099 1.00 0.00 O ATOM 161 CB CYS A 13 -0.020 -2.170 -3.105 1.00 0.00 C ATOM 162 SG CYS A 13 -1.337 -2.212 -4.358 1.00 0.00 S ATOM 163 H CYS A 13 0.962 -3.325 -4.997 1.00 0.00 H ATOM 164 HA CYS A 13 1.260 -0.780 -4.061 1.00 0.00 H ATOM 165 HB2 CYS A 13 0.050 -3.155 -2.668 1.00 0.00 H ATOM 166 HB3 CYS A 13 -0.312 -1.462 -2.344 1.00 0.00 H ATOM 167 N ARG A 14 2.845 -2.964 -2.167 1.00 0.00 N ATOM 168 CA ARG A 14 3.871 -3.037 -1.125 1.00 0.00 C ATOM 169 C ARG A 14 5.254 -2.831 -1.699 1.00 0.00 C ATOM 170 O ARG A 14 6.243 -2.785 -0.974 1.00 0.00 O ATOM 171 CB ARG A 14 3.801 -4.357 -0.364 1.00 0.00 C ATOM 172 CG ARG A 14 3.894 -5.614 -1.216 1.00 0.00 C ATOM 173 CD ARG A 14 5.269 -6.254 -1.131 1.00 0.00 C ATOM 174 NE ARG A 14 6.219 -5.646 -2.056 1.00 0.00 N ATOM 175 CZ ARG A 14 7.531 -5.897 -2.042 1.00 0.00 C ATOM 176 NH1 ARG A 14 8.052 -6.587 -1.035 1.00 0.00 N ATOM 177 NH2 ARG A 14 8.326 -5.427 -3.000 1.00 0.00 N ATOM 178 H ARG A 14 2.499 -3.790 -2.587 1.00 0.00 H ATOM 179 HA ARG A 14 3.675 -2.235 -0.429 1.00 0.00 H ATOM 180 HB2 ARG A 14 4.605 -4.381 0.354 1.00 0.00 H ATOM 181 HB3 ARG A 14 2.871 -4.382 0.160 1.00 0.00 H ATOM 182 HG2 ARG A 14 3.158 -6.325 -0.872 1.00 0.00 H ATOM 183 HG3 ARG A 14 3.691 -5.354 -2.245 1.00 0.00 H ATOM 184 HD2 ARG A 14 5.642 -6.144 -0.125 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.175 -7.302 -1.367 1.00 0.00 H ATOM 186 HE ARG A 14 5.850 -5.051 -2.745 1.00 0.00 H ATOM 187 HH11 ARG A 14 7.462 -6.909 -0.293 1.00 0.00 H ATOM 188 HH12 ARG A 14 9.033 -6.785 -1.012 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.951 -4.875 -3.756 1.00 0.00 H ATOM 190 HH22 ARG A 14 9.308 -5.617 -2.981 1.00 0.00 H ATOM 191 N ASP A 15 5.309 -2.741 -3.005 1.00 0.00 N ATOM 192 CA ASP A 15 6.560 -2.573 -3.704 1.00 0.00 C ATOM 193 C ASP A 15 6.826 -1.116 -4.055 1.00 0.00 C ATOM 194 O ASP A 15 7.977 -0.712 -4.211 1.00 0.00 O ATOM 195 CB ASP A 15 6.538 -3.428 -4.972 1.00 0.00 C ATOM 196 CG ASP A 15 7.842 -3.388 -5.733 1.00 0.00 C ATOM 197 OD1 ASP A 15 8.069 -2.416 -6.483 1.00 0.00 O ATOM 198 OD2 ASP A 15 8.644 -4.325 -5.558 1.00 0.00 O ATOM 199 H ASP A 15 4.480 -2.809 -3.523 1.00 0.00 H ATOM 200 HA ASP A 15 7.349 -2.927 -3.060 1.00 0.00 H ATOM 201 HB2 ASP A 15 6.334 -4.453 -4.702 1.00 0.00 H ATOM 202 HB3 ASP A 15 5.752 -3.071 -5.623 1.00 0.00 H ATOM 203 N HIS A 16 5.774 -0.330 -4.248 1.00 0.00 N ATOM 204 CA HIS A 16 5.980 1.045 -4.667 1.00 0.00 C ATOM 205 C HIS A 16 5.079 2.097 -4.021 1.00 0.00 C ATOM 206 O HIS A 16 5.045 3.221 -4.522 1.00 0.00 O ATOM 207 CB HIS A 16 5.768 1.116 -6.172 1.00 0.00 C ATOM 208 CG HIS A 16 7.038 1.165 -6.969 1.00 0.00 C ATOM 209 ND1 HIS A 16 7.943 0.124 -7.033 1.00 0.00 N ATOM 210 CD2 HIS A 16 7.557 2.153 -7.734 1.00 0.00 C ATOM 211 CE1 HIS A 16 8.959 0.470 -7.798 1.00 0.00 C ATOM 212 NE2 HIS A 16 8.749 1.696 -8.238 1.00 0.00 N ATOM 213 H HIS A 16 4.865 -0.693 -4.168 1.00 0.00 H ATOM 214 HA HIS A 16 7.006 1.299 -4.465 1.00 0.00 H ATOM 215 HB2 HIS A 16 5.211 0.245 -6.481 1.00 0.00 H ATOM 216 HB3 HIS A 16 5.187 1.996 -6.399 1.00 0.00 H ATOM 217 HD1 HIS A 16 7.856 -0.761 -6.581 1.00 0.00 H ATOM 218 HD2 HIS A 16 7.113 3.122 -7.917 1.00 0.00 H ATOM 219 HE1 HIS A 16 9.816 -0.146 -8.027 1.00 0.00 H ATOM 220 N ALA A 17 4.347 1.806 -2.952 1.00 0.00 N ATOM 221 CA ALA A 17 3.502 2.858 -2.396 1.00 0.00 C ATOM 222 C ALA A 17 3.146 2.669 -0.939 1.00 0.00 C ATOM 223 O ALA A 17 3.019 1.558 -0.448 1.00 0.00 O ATOM 224 CB ALA A 17 2.230 2.998 -3.219 1.00 0.00 C ATOM 225 H ALA A 17 4.355 0.904 -2.549 1.00 0.00 H ATOM 226 HA ALA A 17 4.035 3.784 -2.482 1.00 0.00 H ATOM 227 HB1 ALA A 17 2.313 2.400 -4.115 1.00 0.00 H ATOM 228 HB2 ALA A 17 2.088 4.033 -3.490 1.00 0.00 H ATOM 229 HB3 ALA A 17 1.385 2.659 -2.638 1.00 0.00 H ATOM 230 N ARG A 18 2.947 3.796 -0.271 1.00 0.00 N ATOM 231 CA ARG A 18 2.526 3.814 1.119 1.00 0.00 C ATOM 232 C ARG A 18 1.021 4.105 1.161 1.00 0.00 C ATOM 233 O ARG A 18 0.511 4.682 2.121 1.00 0.00 O ATOM 234 CB ARG A 18 3.334 4.851 1.926 1.00 0.00 C ATOM 235 CG ARG A 18 3.351 6.261 1.337 1.00 0.00 C ATOM 236 CD ARG A 18 2.155 7.085 1.796 1.00 0.00 C ATOM 237 NE ARG A 18 2.156 8.434 1.230 1.00 0.00 N ATOM 238 CZ ARG A 18 1.180 9.322 1.429 1.00 0.00 C ATOM 239 NH1 ARG A 18 0.114 8.989 2.151 1.00 0.00 N ATOM 240 NH2 ARG A 18 1.268 10.539 0.899 1.00 0.00 N ATOM 241 H ARG A 18 3.043 4.646 -0.746 1.00 0.00 H ATOM 242 HA ARG A 18 2.700 2.829 1.529 1.00 0.00 H ATOM 243 HB2 ARG A 18 2.917 4.912 2.920 1.00 0.00 H ATOM 244 HB3 ARG A 18 4.356 4.507 2.001 1.00 0.00 H ATOM 245 HG2 ARG A 18 4.256 6.759 1.651 1.00 0.00 H ATOM 246 HG3 ARG A 18 3.334 6.189 0.259 1.00 0.00 H ATOM 247 HD2 ARG A 18 1.250 6.580 1.492 1.00 0.00 H ATOM 248 HD3 ARG A 18 2.179 7.158 2.873 1.00 0.00 H ATOM 249 HE ARG A 18 2.931 8.691 0.682 1.00 0.00 H ATOM 250 HH11 ARG A 18 0.041 8.071 2.548 1.00 0.00 H ATOM 251 HH12 ARG A 18 -0.621 9.654 2.305 1.00 0.00 H ATOM 252 HH21 ARG A 18 2.067 10.793 0.349 1.00 0.00 H ATOM 253 HH22 ARG A 18 0.537 11.208 1.048 1.00 0.00 H ATOM 254 N CYS A 19 0.325 3.741 0.077 1.00 0.00 N ATOM 255 CA CYS A 19 -1.111 4.004 -0.050 1.00 0.00 C ATOM 256 C CYS A 19 -1.927 3.296 1.038 1.00 0.00 C ATOM 257 O CYS A 19 -2.962 3.798 1.466 1.00 0.00 O ATOM 258 CB CYS A 19 -1.636 3.619 -1.440 1.00 0.00 C ATOM 259 SG CYS A 19 -2.233 1.907 -1.587 1.00 0.00 S ATOM 260 H CYS A 19 0.797 3.318 -0.668 1.00 0.00 H ATOM 261 HA CYS A 19 -1.235 5.064 0.060 1.00 0.00 H ATOM 262 HB2 CYS A 19 -2.457 4.271 -1.697 1.00 0.00 H ATOM 263 HB3 CYS A 19 -0.843 3.753 -2.162 1.00 0.00 H ATOM 264 N CYS A 20 -1.455 2.134 1.488 1.00 0.00 N ATOM 265 CA CYS A 20 -2.164 1.378 2.542 1.00 0.00 C ATOM 266 C CYS A 20 -1.666 1.807 3.920 1.00 0.00 C ATOM 267 O CYS A 20 -2.207 1.397 4.945 1.00 0.00 O ATOM 268 CB CYS A 20 -1.986 -0.141 2.333 1.00 0.00 C ATOM 269 SG CYS A 20 -2.804 -1.272 3.527 1.00 0.00 S ATOM 270 H CYS A 20 -0.597 1.782 1.113 1.00 0.00 H ATOM 271 HA CYS A 20 -3.214 1.622 2.467 1.00 0.00 H ATOM 272 HB2 CYS A 20 -2.367 -0.395 1.357 1.00 0.00 H ATOM 273 HB3 CYS A 20 -0.928 -0.363 2.354 1.00 0.00 H HETATM 274 N NH2 A 21 -0.640 2.646 3.940 1.00 0.00 N HETATM 275 HN1 NH2 A 21 0.249 2.287 4.135 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -0.813 3.593 3.753 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 7 HETATM 1 N PCA A 1 -10.592 -1.485 -0.337 1.00 0.00 N HETATM 2 CA PCA A 1 -9.210 -0.956 -0.175 1.00 0.00 C HETATM 3 CB PCA A 1 -8.786 -0.627 -1.624 1.00 0.00 C HETATM 4 CG PCA A 1 -9.969 -0.985 -2.518 1.00 0.00 C HETATM 5 CD PCA A 1 -11.032 -1.514 -1.576 1.00 0.00 C HETATM 6 OE PCA A 1 -12.137 -1.895 -1.930 1.00 0.00 O HETATM 7 C PCA A 1 -8.253 -1.645 0.748 1.00 0.00 C HETATM 8 O PCA A 1 -8.294 -2.865 0.868 1.00 0.00 O HETATM 9 H1 PCA A 1 -10.586 -2.521 -0.243 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.973 -1.238 -1.271 1.00 0.00 H HETATM 11 H3 PCA A 1 -11.214 -1.089 0.395 1.00 0.00 H HETATM 12 HA PCA A 1 -9.357 0.008 0.289 1.00 0.00 H HETATM 13 HB2 PCA A 1 -7.926 -1.220 -1.904 1.00 0.00 H HETATM 14 HB3 PCA A 1 -8.563 0.426 -1.719 1.00 0.00 H HETATM 15 HG2 PCA A 1 -10.331 -0.104 -3.031 1.00 0.00 H HETATM 16 HG3 PCA A 1 -9.685 -1.753 -3.225 1.00 0.00 H ATOM 17 N ASN A 2 -7.405 -0.863 1.415 1.00 0.00 N ATOM 18 CA ASN A 2 -6.426 -1.398 2.364 1.00 0.00 C ATOM 19 C ASN A 2 -5.510 -2.428 1.724 1.00 0.00 C ATOM 20 O ASN A 2 -5.524 -3.592 2.092 1.00 0.00 O ATOM 21 CB ASN A 2 -7.110 -2.022 3.582 1.00 0.00 C ATOM 22 CG ASN A 2 -7.571 -0.992 4.586 1.00 0.00 C ATOM 23 OD1 ASN A 2 -8.400 -0.134 4.281 1.00 0.00 O ATOM 24 ND2 ASN A 2 -7.027 -1.071 5.790 1.00 0.00 N ATOM 25 H ASN A 2 -7.444 0.106 1.279 1.00 0.00 H ATOM 26 HA ASN A 2 -5.820 -0.570 2.701 1.00 0.00 H ATOM 27 HB2 ASN A 2 -7.964 -2.585 3.251 1.00 0.00 H ATOM 28 HB3 ASN A 2 -6.414 -2.689 4.073 1.00 0.00 H ATOM 29 HD21 ASN A 2 -6.371 -1.783 5.958 1.00 0.00 H ATOM 30 HD22 ASN A 2 -7.289 -0.415 6.462 1.00 0.00 H ATOM 31 N CYS A 3 -4.719 -2.006 0.761 1.00 0.00 N ATOM 32 CA CYS A 3 -3.800 -2.916 0.097 1.00 0.00 C ATOM 33 C CYS A 3 -2.354 -2.767 0.604 1.00 0.00 C ATOM 34 O CYS A 3 -1.479 -3.545 0.232 1.00 0.00 O ATOM 35 CB CYS A 3 -3.853 -2.686 -1.414 1.00 0.00 C ATOM 36 SG CYS A 3 -3.345 -1.026 -1.943 1.00 0.00 S ATOM 37 H CYS A 3 -4.746 -1.065 0.489 1.00 0.00 H ATOM 38 HA CYS A 3 -4.133 -3.922 0.303 1.00 0.00 H ATOM 39 HB2 CYS A 3 -3.201 -3.396 -1.900 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.865 -2.845 -1.758 1.00 0.00 H ATOM 41 N CYS A 4 -2.094 -1.713 1.373 1.00 0.00 N ATOM 42 CA CYS A 4 -0.743 -1.378 1.826 1.00 0.00 C ATOM 43 C CYS A 4 -0.494 -1.405 3.339 1.00 0.00 C ATOM 44 O CYS A 4 -0.328 -0.361 3.958 1.00 0.00 O ATOM 45 CB CYS A 4 -0.455 0.023 1.336 1.00 0.00 C ATOM 46 SG CYS A 4 -1.779 0.748 0.329 1.00 0.00 S ATOM 47 H CYS A 4 -2.812 -1.104 1.584 1.00 0.00 H ATOM 48 HA CYS A 4 -0.053 -2.050 1.345 1.00 0.00 H ATOM 49 HB2 CYS A 4 -0.299 0.670 2.187 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.441 0.007 0.736 1.00 0.00 H ATOM 51 N ASN A 5 -0.429 -2.583 3.919 1.00 0.00 N ATOM 52 CA ASN A 5 -0.136 -2.734 5.349 1.00 0.00 C ATOM 53 C ASN A 5 0.562 -4.059 5.481 1.00 0.00 C ATOM 54 O ASN A 5 0.490 -4.763 6.483 1.00 0.00 O ATOM 55 CB ASN A 5 -1.397 -2.665 6.221 1.00 0.00 C ATOM 56 CG ASN A 5 -1.095 -2.597 7.706 1.00 0.00 C ATOM 57 OD1 ASN A 5 -0.413 -1.685 8.169 1.00 0.00 O ATOM 58 ND2 ASN A 5 -1.617 -3.550 8.461 1.00 0.00 N ATOM 59 H ASN A 5 -0.547 -3.388 3.378 1.00 0.00 H ATOM 60 HA ASN A 5 0.550 -1.946 5.634 1.00 0.00 H ATOM 61 HB2 ASN A 5 -1.952 -1.778 5.955 1.00 0.00 H ATOM 62 HB3 ASN A 5 -2.015 -3.531 6.035 1.00 0.00 H ATOM 63 HD21 ASN A 5 -2.160 -4.239 8.026 1.00 0.00 H ATOM 64 HD22 ASN A 5 -1.439 -3.526 9.421 1.00 0.00 H ATOM 65 N GLY A 6 1.228 -4.376 4.390 1.00 0.00 N ATOM 66 CA GLY A 6 1.960 -5.608 4.268 1.00 0.00 C ATOM 67 C GLY A 6 1.621 -6.300 2.978 1.00 0.00 C ATOM 68 O GLY A 6 1.722 -7.517 2.869 1.00 0.00 O ATOM 69 H GLY A 6 1.205 -3.748 3.636 1.00 0.00 H ATOM 70 HA2 GLY A 6 3.011 -5.391 4.281 1.00 0.00 H ATOM 71 HA3 GLY A 6 1.715 -6.256 5.095 1.00 0.00 H ATOM 72 N GLY A 7 1.202 -5.509 1.992 1.00 0.00 N ATOM 73 CA GLY A 7 0.834 -6.066 0.714 1.00 0.00 C ATOM 74 C GLY A 7 -0.490 -6.770 0.809 1.00 0.00 C ATOM 75 O GLY A 7 -0.690 -7.809 0.191 1.00 0.00 O ATOM 76 H GLY A 7 1.129 -4.545 2.141 1.00 0.00 H ATOM 77 HA2 GLY A 7 0.765 -5.271 -0.014 1.00 0.00 H ATOM 78 HA3 GLY A 7 1.588 -6.772 0.402 1.00 0.00 H ATOM 79 N CYS A 8 -1.382 -6.185 1.614 1.00 0.00 N ATOM 80 CA CYS A 8 -2.712 -6.732 1.841 1.00 0.00 C ATOM 81 C CYS A 8 -3.350 -7.142 0.512 1.00 0.00 C ATOM 82 O CYS A 8 -3.634 -8.315 0.282 1.00 0.00 O ATOM 83 CB CYS A 8 -3.597 -5.691 2.565 1.00 0.00 C ATOM 84 SG CYS A 8 -2.777 -4.803 3.951 1.00 0.00 S ATOM 85 H CYS A 8 -1.125 -5.368 2.079 1.00 0.00 H ATOM 86 HA CYS A 8 -2.612 -7.604 2.464 1.00 0.00 H ATOM 87 HB2 CYS A 8 -3.918 -4.948 1.850 1.00 0.00 H ATOM 88 HB3 CYS A 8 -4.464 -6.191 2.965 1.00 0.00 H ATOM 89 N SER A 9 -3.562 -6.169 -0.360 1.00 0.00 N ATOM 90 CA SER A 9 -4.148 -6.438 -1.669 1.00 0.00 C ATOM 91 C SER A 9 -3.113 -6.449 -2.810 1.00 0.00 C ATOM 92 O SER A 9 -3.264 -7.199 -3.772 1.00 0.00 O ATOM 93 CB SER A 9 -5.261 -5.439 -1.976 1.00 0.00 C ATOM 94 OG SER A 9 -6.089 -5.241 -0.842 1.00 0.00 O ATOM 95 H SER A 9 -3.306 -5.260 -0.123 1.00 0.00 H ATOM 96 HA SER A 9 -4.589 -7.421 -1.616 1.00 0.00 H ATOM 97 HB2 SER A 9 -4.825 -4.492 -2.258 1.00 0.00 H ATOM 98 HB3 SER A 9 -5.866 -5.814 -2.788 1.00 0.00 H ATOM 99 HG SER A 9 -6.229 -6.085 -0.399 1.00 0.00 H ATOM 100 N SER A 10 -2.093 -5.577 -2.747 1.00 0.00 N ATOM 101 CA SER A 10 -1.114 -5.498 -3.840 1.00 0.00 C ATOM 102 C SER A 10 0.306 -5.127 -3.380 1.00 0.00 C ATOM 103 O SER A 10 0.525 -4.682 -2.249 1.00 0.00 O ATOM 104 CB SER A 10 -1.597 -4.488 -4.883 1.00 0.00 C ATOM 105 OG SER A 10 -2.872 -4.847 -5.385 1.00 0.00 O ATOM 106 H SER A 10 -2.023 -4.962 -1.992 1.00 0.00 H ATOM 107 HA SER A 10 -1.075 -6.470 -4.305 1.00 0.00 H ATOM 108 HB2 SER A 10 -1.664 -3.510 -4.431 1.00 0.00 H ATOM 109 HB3 SER A 10 -0.895 -4.458 -5.704 1.00 0.00 H ATOM 110 HG SER A 10 -3.098 -5.737 -5.083 1.00 0.00 H ATOM 111 N LYS A 11 1.264 -5.344 -4.291 1.00 0.00 N ATOM 112 CA LYS A 11 2.685 -5.088 -4.061 1.00 0.00 C ATOM 113 C LYS A 11 3.026 -3.596 -3.964 1.00 0.00 C ATOM 114 O LYS A 11 3.710 -3.192 -3.026 1.00 0.00 O ATOM 115 CB LYS A 11 3.498 -5.731 -5.188 1.00 0.00 C ATOM 116 CG LYS A 11 5.001 -5.549 -5.053 1.00 0.00 C ATOM 117 CD LYS A 11 5.732 -6.009 -6.306 1.00 0.00 C ATOM 118 CE LYS A 11 5.662 -7.520 -6.491 1.00 0.00 C ATOM 119 NZ LYS A 11 6.445 -8.248 -5.455 1.00 0.00 N ATOM 120 H LYS A 11 1.001 -5.711 -5.156 1.00 0.00 H ATOM 121 HA LYS A 11 2.956 -5.563 -3.131 1.00 0.00 H ATOM 122 HB2 LYS A 11 3.289 -6.790 -5.206 1.00 0.00 H ATOM 123 HB3 LYS A 11 3.189 -5.298 -6.128 1.00 0.00 H ATOM 124 HG2 LYS A 11 5.214 -4.503 -4.888 1.00 0.00 H ATOM 125 HG3 LYS A 11 5.350 -6.127 -4.210 1.00 0.00 H ATOM 126 HD2 LYS A 11 5.284 -5.534 -7.165 1.00 0.00 H ATOM 127 HD3 LYS A 11 6.764 -5.714 -6.231 1.00 0.00 H ATOM 128 HE2 LYS A 11 4.629 -7.829 -6.430 1.00 0.00 H ATOM 129 HE3 LYS A 11 6.053 -7.768 -7.467 1.00 0.00 H ATOM 130 HZ1 LYS A 11 7.080 -8.937 -5.907 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.805 -8.755 -4.812 1.00 0.00 H ATOM 132 HZ3 LYS A 11 7.017 -7.578 -4.902 1.00 0.00 H ATOM 133 N TRP A 12 2.564 -2.787 -4.930 1.00 0.00 N ATOM 134 CA TRP A 12 2.846 -1.338 -4.931 1.00 0.00 C ATOM 135 C TRP A 12 2.525 -0.746 -3.590 1.00 0.00 C ATOM 136 O TRP A 12 3.239 0.109 -3.070 1.00 0.00 O ATOM 137 CB TRP A 12 2.024 -0.607 -6.025 1.00 0.00 C ATOM 138 CG TRP A 12 1.951 0.906 -5.868 1.00 0.00 C ATOM 139 CD1 TRP A 12 2.672 1.856 -6.537 1.00 0.00 C ATOM 140 CD2 TRP A 12 1.102 1.627 -4.963 1.00 0.00 C ATOM 141 NE1 TRP A 12 2.312 3.118 -6.099 1.00 0.00 N ATOM 142 CE2 TRP A 12 1.350 2.996 -5.123 1.00 0.00 C ATOM 143 CE3 TRP A 12 0.162 1.222 -4.035 1.00 0.00 C ATOM 144 CZ2 TRP A 12 0.674 3.969 -4.368 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -0.506 2.166 -3.281 1.00 0.00 C ATOM 146 CH2 TRP A 12 -0.254 3.529 -3.446 1.00 0.00 C ATOM 147 H TRP A 12 2.031 -3.167 -5.656 1.00 0.00 H ATOM 148 HA TRP A 12 3.884 -1.203 -5.112 1.00 0.00 H ATOM 149 HB2 TRP A 12 2.460 -0.813 -6.985 1.00 0.00 H ATOM 150 HB3 TRP A 12 1.013 -0.988 -6.011 1.00 0.00 H ATOM 151 HD1 TRP A 12 3.406 1.639 -7.298 1.00 0.00 H ATOM 152 HE1 TRP A 12 2.685 3.961 -6.430 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.030 0.169 -3.890 1.00 0.00 H ATOM 154 HZ2 TRP A 12 0.864 5.025 -4.492 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -1.237 1.852 -2.551 1.00 0.00 H ATOM 156 HH2 TRP A 12 -0.799 4.234 -2.816 1.00 0.00 H ATOM 157 N CYS A 13 1.420 -1.193 -3.069 1.00 0.00 N ATOM 158 CA CYS A 13 0.911 -0.723 -1.820 1.00 0.00 C ATOM 159 C CYS A 13 1.896 -0.900 -0.676 1.00 0.00 C ATOM 160 O CYS A 13 2.122 0.020 0.104 1.00 0.00 O ATOM 161 CB CYS A 13 -0.379 -1.468 -1.545 1.00 0.00 C ATOM 162 SG CYS A 13 -1.591 -1.377 -2.899 1.00 0.00 S ATOM 163 H CYS A 13 0.900 -1.853 -3.568 1.00 0.00 H ATOM 164 HA CYS A 13 0.686 0.326 -1.926 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.155 -2.510 -1.375 1.00 0.00 H ATOM 166 HB3 CYS A 13 -0.842 -1.056 -0.660 1.00 0.00 H ATOM 167 N ARG A 14 2.488 -2.072 -0.569 1.00 0.00 N ATOM 168 CA ARG A 14 3.430 -2.320 0.522 1.00 0.00 C ATOM 169 C ARG A 14 4.781 -1.700 0.256 1.00 0.00 C ATOM 170 O ARG A 14 5.641 -1.665 1.130 1.00 0.00 O ATOM 171 CB ARG A 14 3.585 -3.811 0.789 1.00 0.00 C ATOM 172 CG ARG A 14 4.110 -4.628 -0.380 1.00 0.00 C ATOM 173 CD ARG A 14 5.508 -5.146 -0.105 1.00 0.00 C ATOM 174 NE ARG A 14 6.529 -4.131 -0.338 1.00 0.00 N ATOM 175 CZ ARG A 14 7.800 -4.255 0.049 1.00 0.00 C ATOM 176 NH1 ARG A 14 8.145 -5.258 0.847 1.00 0.00 N ATOM 177 NH2 ARG A 14 8.714 -3.362 -0.320 1.00 0.00 N ATOM 178 H ARG A 14 2.295 -2.777 -1.235 1.00 0.00 H ATOM 179 HA ARG A 14 3.015 -1.860 1.409 1.00 0.00 H ATOM 180 HB2 ARG A 14 4.263 -3.941 1.617 1.00 0.00 H ATOM 181 HB3 ARG A 14 2.628 -4.201 1.063 1.00 0.00 H ATOM 182 HG2 ARG A 14 3.451 -5.467 -0.547 1.00 0.00 H ATOM 183 HG3 ARG A 14 4.133 -4.004 -1.262 1.00 0.00 H ATOM 184 HD2 ARG A 14 5.561 -5.461 0.925 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.699 -5.991 -0.750 1.00 0.00 H ATOM 186 HE ARG A 14 6.258 -3.332 -0.845 1.00 0.00 H ATOM 187 HH11 ARG A 14 7.453 -5.911 1.156 1.00 0.00 H ATOM 188 HH12 ARG A 14 9.096 -5.363 1.143 1.00 0.00 H ATOM 189 HH21 ARG A 14 8.461 -2.572 -0.908 1.00 0.00 H ATOM 190 HH22 ARG A 14 9.663 -3.459 -0.024 1.00 0.00 H ATOM 191 N ASP A 15 4.966 -1.232 -0.954 1.00 0.00 N ATOM 192 CA ASP A 15 6.220 -0.633 -1.344 1.00 0.00 C ATOM 193 C ASP A 15 6.057 0.867 -1.511 1.00 0.00 C ATOM 194 O ASP A 15 6.880 1.525 -2.140 1.00 0.00 O ATOM 195 CB ASP A 15 6.697 -1.262 -2.654 1.00 0.00 C ATOM 196 CG ASP A 15 8.161 -1.001 -2.922 1.00 0.00 C ATOM 197 OD1 ASP A 15 8.993 -1.450 -2.106 1.00 0.00 O ATOM 198 OD2 ASP A 15 8.473 -0.360 -3.945 1.00 0.00 O ATOM 199 H ASP A 15 4.242 -1.296 -1.608 1.00 0.00 H ATOM 200 HA ASP A 15 6.944 -0.829 -0.569 1.00 0.00 H ATOM 201 HB2 ASP A 15 6.545 -2.330 -2.609 1.00 0.00 H ATOM 202 HB3 ASP A 15 6.121 -0.854 -3.472 1.00 0.00 H ATOM 203 N HIS A 16 4.975 1.419 -0.975 1.00 0.00 N ATOM 204 CA HIS A 16 4.741 2.840 -1.126 1.00 0.00 C ATOM 205 C HIS A 16 4.064 3.497 0.069 1.00 0.00 C ATOM 206 O HIS A 16 4.336 4.665 0.337 1.00 0.00 O ATOM 207 CB HIS A 16 3.923 3.104 -2.388 1.00 0.00 C ATOM 208 CG HIS A 16 4.732 3.649 -3.527 1.00 0.00 C ATOM 209 ND1 HIS A 16 5.847 3.015 -4.038 1.00 0.00 N ATOM 210 CD2 HIS A 16 4.574 4.772 -4.265 1.00 0.00 C ATOM 211 CE1 HIS A 16 6.336 3.719 -5.038 1.00 0.00 C ATOM 212 NE2 HIS A 16 5.582 4.792 -5.198 1.00 0.00 N ATOM 213 H HIS A 16 4.323 0.863 -0.502 1.00 0.00 H ATOM 214 HA HIS A 16 5.702 3.303 -1.253 1.00 0.00 H ATOM 215 HB2 HIS A 16 3.473 2.178 -2.715 1.00 0.00 H ATOM 216 HB3 HIS A 16 3.146 3.813 -2.158 1.00 0.00 H ATOM 217 HD1 HIS A 16 6.246 2.179 -3.689 1.00 0.00 H ATOM 218 HD2 HIS A 16 3.798 5.514 -4.143 1.00 0.00 H ATOM 219 HE1 HIS A 16 7.204 3.463 -5.627 1.00 0.00 H ATOM 220 N ALA A 17 3.169 2.803 0.777 1.00 0.00 N ATOM 221 CA ALA A 17 2.496 3.459 1.901 1.00 0.00 C ATOM 222 C ALA A 17 1.776 2.519 2.826 1.00 0.00 C ATOM 223 O ALA A 17 1.613 1.345 2.550 1.00 0.00 O ATOM 224 CB ALA A 17 1.515 4.505 1.384 1.00 0.00 C ATOM 225 H ALA A 17 2.946 1.866 0.536 1.00 0.00 H ATOM 226 HA ALA A 17 3.230 3.968 2.479 1.00 0.00 H ATOM 227 HB1 ALA A 17 1.667 5.434 1.914 1.00 0.00 H ATOM 228 HB2 ALA A 17 0.504 4.160 1.545 1.00 0.00 H ATOM 229 HB3 ALA A 17 1.678 4.662 0.328 1.00 0.00 H ATOM 230 N ARG A 18 1.336 3.086 3.936 1.00 0.00 N ATOM 231 CA ARG A 18 0.586 2.361 4.936 1.00 0.00 C ATOM 232 C ARG A 18 -0.904 2.629 4.740 1.00 0.00 C ATOM 233 O ARG A 18 -1.648 2.791 5.705 1.00 0.00 O ATOM 234 CB ARG A 18 1.052 2.736 6.355 1.00 0.00 C ATOM 235 CG ARG A 18 1.349 4.221 6.569 1.00 0.00 C ATOM 236 CD ARG A 18 0.084 5.049 6.755 1.00 0.00 C ATOM 237 NE ARG A 18 -0.714 4.588 7.892 1.00 0.00 N ATOM 238 CZ ARG A 18 -1.858 5.154 8.283 1.00 0.00 C ATOM 239 NH1 ARG A 18 -2.324 6.228 7.651 1.00 0.00 N ATOM 240 NH2 ARG A 18 -2.534 4.645 9.309 1.00 0.00 N ATOM 241 H ARG A 18 1.504 4.040 4.072 1.00 0.00 H ATOM 242 HA ARG A 18 0.767 1.307 4.776 1.00 0.00 H ATOM 243 HB2 ARG A 18 0.284 2.448 7.056 1.00 0.00 H ATOM 244 HB3 ARG A 18 1.951 2.180 6.579 1.00 0.00 H ATOM 245 HG2 ARG A 18 1.964 4.329 7.449 1.00 0.00 H ATOM 246 HG3 ARG A 18 1.887 4.593 5.709 1.00 0.00 H ATOM 247 HD2 ARG A 18 0.365 6.079 6.919 1.00 0.00 H ATOM 248 HD3 ARG A 18 -0.512 4.978 5.856 1.00 0.00 H ATOM 249 HE ARG A 18 -0.383 3.802 8.381 1.00 0.00 H ATOM 250 HH11 ARG A 18 -1.818 6.617 6.880 1.00 0.00 H ATOM 251 HH12 ARG A 18 -3.183 6.654 7.943 1.00 0.00 H ATOM 252 HH21 ARG A 18 -2.187 3.837 9.790 1.00 0.00 H ATOM 253 HH22 ARG A 18 -3.394 5.065 9.605 1.00 0.00 H ATOM 254 N CYS A 19 -1.334 2.694 3.477 1.00 0.00 N ATOM 255 CA CYS A 19 -2.736 2.959 3.162 1.00 0.00 C ATOM 256 C CYS A 19 -3.641 1.851 3.703 1.00 0.00 C ATOM 257 O CYS A 19 -4.834 2.058 3.905 1.00 0.00 O ATOM 258 CB CYS A 19 -2.959 3.155 1.661 1.00 0.00 C ATOM 259 SG CYS A 19 -1.535 2.730 0.622 1.00 0.00 S ATOM 260 H CYS A 19 -0.694 2.569 2.743 1.00 0.00 H ATOM 261 HA CYS A 19 -2.992 3.878 3.653 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.786 2.538 1.347 1.00 0.00 H ATOM 263 HB3 CYS A 19 -3.203 4.192 1.476 1.00 0.00 H ATOM 264 N CYS A 20 -3.062 0.679 3.963 1.00 0.00 N ATOM 265 CA CYS A 20 -3.848 -0.451 4.521 1.00 0.00 C ATOM 266 C CYS A 20 -3.753 -0.450 6.044 1.00 0.00 C ATOM 267 O CYS A 20 -4.394 -1.251 6.721 1.00 0.00 O ATOM 268 CB CYS A 20 -3.364 -1.788 3.930 1.00 0.00 C ATOM 269 SG CYS A 20 -4.089 -3.347 4.572 1.00 0.00 S ATOM 270 H CYS A 20 -2.070 0.581 3.800 1.00 0.00 H ATOM 271 HA CYS A 20 -4.881 -0.297 4.242 1.00 0.00 H ATOM 272 HB2 CYS A 20 -3.557 -1.776 2.870 1.00 0.00 H ATOM 273 HB3 CYS A 20 -2.295 -1.850 4.078 1.00 0.00 H HETATM 274 N NH2 A 21 -2.953 0.459 6.582 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -2.228 0.153 7.161 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -3.119 1.402 6.371 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 8 HETATM 1 N PCA A 1 -10.764 -0.489 -2.294 1.00 0.00 N HETATM 2 CA PCA A 1 -9.494 0.233 -2.577 1.00 0.00 C HETATM 3 CB PCA A 1 -9.143 -0.218 -4.012 1.00 0.00 C HETATM 4 CG PCA A 1 -10.253 -1.166 -4.457 1.00 0.00 C HETATM 5 CD PCA A 1 -11.201 -1.245 -3.277 1.00 0.00 C HETATM 6 OE PCA A 1 -12.226 -1.910 -3.263 1.00 0.00 O HETATM 7 C PCA A 1 -8.427 0.293 -1.529 1.00 0.00 C HETATM 8 O PCA A 1 -8.221 -0.691 -0.831 1.00 0.00 O HETATM 9 H1 PCA A 1 -11.423 0.134 -1.788 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.571 -1.319 -1.699 1.00 0.00 H HETATM 11 H3 PCA A 1 -11.210 -0.808 -3.177 1.00 0.00 H HETATM 12 HA PCA A 1 -9.800 1.263 -2.683 1.00 0.00 H HETATM 13 HB2 PCA A 1 -8.196 -0.740 -4.018 1.00 0.00 H HETATM 14 HB3 PCA A 1 -9.106 0.635 -4.675 1.00 0.00 H HETATM 15 HG2 PCA A 1 -10.766 -0.765 -5.320 1.00 0.00 H HETATM 16 HG3 PCA A 1 -9.846 -2.145 -4.671 1.00 0.00 H ATOM 17 N ASN A 2 -7.774 1.462 -1.416 1.00 0.00 N ATOM 18 CA ASN A 2 -6.705 1.719 -0.429 1.00 0.00 C ATOM 19 C ASN A 2 -5.836 0.491 -0.148 1.00 0.00 C ATOM 20 O ASN A 2 -6.132 -0.311 0.721 1.00 0.00 O ATOM 21 CB ASN A 2 -7.268 2.301 0.889 1.00 0.00 C ATOM 22 CG ASN A 2 -8.331 1.445 1.564 1.00 0.00 C ATOM 23 OD1 ASN A 2 -9.431 1.256 1.037 1.00 0.00 O ATOM 24 ND2 ASN A 2 -8.010 0.935 2.744 1.00 0.00 N ATOM 25 H ASN A 2 -8.028 2.193 -2.014 1.00 0.00 H ATOM 26 HA ASN A 2 -6.063 2.469 -0.869 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.452 2.422 1.589 1.00 0.00 H ATOM 28 HB3 ASN A 2 -7.693 3.272 0.683 1.00 0.00 H ATOM 29 HD21 ASN A 2 -7.122 1.136 3.110 1.00 0.00 H ATOM 30 HD22 ASN A 2 -8.665 0.375 3.202 1.00 0.00 H ATOM 31 N CYS A 3 -4.766 0.339 -0.907 1.00 0.00 N ATOM 32 CA CYS A 3 -3.864 -0.797 -0.739 1.00 0.00 C ATOM 33 C CYS A 3 -2.583 -0.452 0.046 1.00 0.00 C ATOM 34 O CYS A 3 -1.963 -1.308 0.679 1.00 0.00 O ATOM 35 CB CYS A 3 -3.499 -1.343 -2.113 1.00 0.00 C ATOM 36 SG CYS A 3 -2.771 -0.119 -3.236 1.00 0.00 S ATOM 37 H CYS A 3 -4.577 1.000 -1.607 1.00 0.00 H ATOM 38 HA CYS A 3 -4.401 -1.561 -0.200 1.00 0.00 H ATOM 39 HB2 CYS A 3 -2.784 -2.143 -1.995 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.390 -1.731 -2.585 1.00 0.00 H ATOM 41 N CYS A 4 -2.155 0.787 -0.092 1.00 0.00 N ATOM 42 CA CYS A 4 -0.909 1.297 0.480 1.00 0.00 C ATOM 43 C CYS A 4 -0.960 1.647 1.968 1.00 0.00 C ATOM 44 O CYS A 4 -1.005 2.817 2.331 1.00 0.00 O ATOM 45 CB CYS A 4 -0.506 2.539 -0.293 1.00 0.00 C ATOM 46 SG CYS A 4 -0.916 2.524 -2.059 1.00 0.00 S ATOM 47 H CYS A 4 -2.661 1.372 -0.652 1.00 0.00 H ATOM 48 HA CYS A 4 -0.150 0.547 0.329 1.00 0.00 H ATOM 49 HB2 CYS A 4 -0.998 3.395 0.143 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.563 2.669 -0.207 1.00 0.00 H ATOM 51 N ASN A 5 -0.916 0.643 2.813 1.00 0.00 N ATOM 52 CA ASN A 5 -0.906 0.842 4.264 1.00 0.00 C ATOM 53 C ASN A 5 -0.203 -0.339 4.865 1.00 0.00 C ATOM 54 O ASN A 5 0.566 -0.235 5.814 1.00 0.00 O ATOM 55 CB ASN A 5 -2.318 0.960 4.839 1.00 0.00 C ATOM 56 CG ASN A 5 -2.338 1.378 6.294 1.00 0.00 C ATOM 57 OD1 ASN A 5 -1.723 2.369 6.677 1.00 0.00 O ATOM 58 ND2 ASN A 5 -3.075 0.640 7.109 1.00 0.00 N ATOM 59 H ASN A 5 -0.852 -0.263 2.460 1.00 0.00 H ATOM 60 HA ASN A 5 -0.345 1.741 4.481 1.00 0.00 H ATOM 61 HB2 ASN A 5 -2.869 1.694 4.271 1.00 0.00 H ATOM 62 HB3 ASN A 5 -2.816 0.004 4.752 1.00 0.00 H ATOM 63 HD21 ASN A 5 -3.556 -0.125 6.734 1.00 0.00 H ATOM 64 HD22 ASN A 5 -3.119 0.900 8.048 1.00 0.00 H ATOM 65 N GLY A 6 -0.477 -1.473 4.256 1.00 0.00 N ATOM 66 CA GLY A 6 0.122 -2.710 4.678 1.00 0.00 C ATOM 67 C GLY A 6 -0.102 -3.786 3.657 1.00 0.00 C ATOM 68 O GLY A 6 -0.205 -4.960 3.992 1.00 0.00 O ATOM 69 H GLY A 6 -1.097 -1.464 3.491 1.00 0.00 H ATOM 70 HA2 GLY A 6 1.180 -2.561 4.806 1.00 0.00 H ATOM 71 HA3 GLY A 6 -0.313 -3.016 5.617 1.00 0.00 H ATOM 72 N GLY A 7 -0.191 -3.376 2.394 1.00 0.00 N ATOM 73 CA GLY A 7 -0.422 -4.332 1.342 1.00 0.00 C ATOM 74 C GLY A 7 -1.858 -4.765 1.338 1.00 0.00 C ATOM 75 O GLY A 7 -2.168 -5.914 1.045 1.00 0.00 O ATOM 76 H GLY A 7 -0.117 -2.417 2.179 1.00 0.00 H ATOM 77 HA2 GLY A 7 -0.181 -3.880 0.390 1.00 0.00 H ATOM 78 HA3 GLY A 7 0.208 -5.194 1.499 1.00 0.00 H ATOM 79 N CYS A 8 -2.725 -3.813 1.682 1.00 0.00 N ATOM 80 CA CYS A 8 -4.158 -4.042 1.744 1.00 0.00 C ATOM 81 C CYS A 8 -4.620 -4.734 0.454 1.00 0.00 C ATOM 82 O CYS A 8 -5.122 -5.855 0.484 1.00 0.00 O ATOM 83 CB CYS A 8 -4.877 -2.692 1.976 1.00 0.00 C ATOM 84 SG CYS A 8 -4.022 -1.599 3.192 1.00 0.00 S ATOM 85 H CYS A 8 -2.381 -2.927 1.910 1.00 0.00 H ATOM 86 HA CYS A 8 -4.354 -4.696 2.577 1.00 0.00 H ATOM 87 HB2 CYS A 8 -4.939 -2.157 1.040 1.00 0.00 H ATOM 88 HB3 CYS A 8 -5.873 -2.880 2.346 1.00 0.00 H ATOM 89 N SER A 9 -4.404 -4.079 -0.679 1.00 0.00 N ATOM 90 CA SER A 9 -4.748 -4.659 -1.975 1.00 0.00 C ATOM 91 C SER A 9 -3.505 -5.199 -2.715 1.00 0.00 C ATOM 92 O SER A 9 -3.594 -6.189 -3.438 1.00 0.00 O ATOM 93 CB SER A 9 -5.494 -3.648 -2.846 1.00 0.00 C ATOM 94 OG SER A 9 -6.524 -3.010 -2.109 1.00 0.00 O ATOM 95 H SER A 9 -3.974 -3.210 -0.643 1.00 0.00 H ATOM 96 HA SER A 9 -5.407 -5.492 -1.781 1.00 0.00 H ATOM 97 HB2 SER A 9 -4.802 -2.898 -3.199 1.00 0.00 H ATOM 98 HB3 SER A 9 -5.934 -4.158 -3.690 1.00 0.00 H ATOM 99 HG SER A 9 -6.862 -3.619 -1.442 1.00 0.00 H ATOM 100 N SER A 10 -2.353 -4.518 -2.576 1.00 0.00 N ATOM 101 CA SER A 10 -1.131 -4.931 -3.284 1.00 0.00 C ATOM 102 C SER A 10 0.157 -4.598 -2.506 1.00 0.00 C ATOM 103 O SER A 10 0.147 -3.805 -1.562 1.00 0.00 O ATOM 104 CB SER A 10 -1.087 -4.274 -4.665 1.00 0.00 C ATOM 105 OG SER A 10 -2.247 -4.589 -5.415 1.00 0.00 O ATOM 106 H SER A 10 -2.332 -3.718 -2.019 1.00 0.00 H ATOM 107 HA SER A 10 -1.181 -6.001 -3.416 1.00 0.00 H ATOM 108 HB2 SER A 10 -1.028 -3.202 -4.550 1.00 0.00 H ATOM 109 HB3 SER A 10 -0.219 -4.627 -5.202 1.00 0.00 H ATOM 110 HG SER A 10 -2.736 -5.295 -4.971 1.00 0.00 H ATOM 111 N LYS A 11 1.256 -5.247 -2.915 1.00 0.00 N ATOM 112 CA LYS A 11 2.572 -5.103 -2.289 1.00 0.00 C ATOM 113 C LYS A 11 3.218 -3.729 -2.506 1.00 0.00 C ATOM 114 O LYS A 11 3.672 -3.120 -1.538 1.00 0.00 O ATOM 115 CB LYS A 11 3.502 -6.199 -2.812 1.00 0.00 C ATOM 116 CG LYS A 11 4.893 -6.167 -2.203 1.00 0.00 C ATOM 117 CD LYS A 11 5.785 -7.251 -2.785 1.00 0.00 C ATOM 118 CE LYS A 11 5.320 -8.644 -2.387 1.00 0.00 C ATOM 119 NZ LYS A 11 6.226 -9.703 -2.911 1.00 0.00 N ATOM 120 H LYS A 11 1.173 -5.868 -3.656 1.00 0.00 H ATOM 121 HA LYS A 11 2.441 -5.251 -1.228 1.00 0.00 H ATOM 122 HB2 LYS A 11 3.062 -7.161 -2.596 1.00 0.00 H ATOM 123 HB3 LYS A 11 3.599 -6.091 -3.883 1.00 0.00 H ATOM 124 HG2 LYS A 11 5.339 -5.204 -2.401 1.00 0.00 H ATOM 125 HG3 LYS A 11 4.811 -6.315 -1.136 1.00 0.00 H ATOM 126 HD2 LYS A 11 5.771 -7.174 -3.862 1.00 0.00 H ATOM 127 HD3 LYS A 11 6.788 -7.101 -2.427 1.00 0.00 H ATOM 128 HE2 LYS A 11 5.293 -8.707 -1.309 1.00 0.00 H ATOM 129 HE3 LYS A 11 4.326 -8.804 -2.780 1.00 0.00 H ATOM 130 HZ1 LYS A 11 5.778 -10.194 -3.712 1.00 0.00 H ATOM 131 HZ2 LYS A 11 6.433 -10.399 -2.166 1.00 0.00 H ATOM 132 HZ3 LYS A 11 7.121 -9.281 -3.233 1.00 0.00 H ATOM 133 N TRP A 12 3.272 -3.245 -3.759 1.00 0.00 N ATOM 134 CA TRP A 12 3.883 -1.931 -4.054 1.00 0.00 C ATOM 135 C TRP A 12 3.316 -0.890 -3.126 1.00 0.00 C ATOM 136 O TRP A 12 4.006 0.017 -2.666 1.00 0.00 O ATOM 137 CB TRP A 12 3.626 -1.500 -5.519 1.00 0.00 C ATOM 138 CG TRP A 12 3.943 -0.042 -5.806 1.00 0.00 C ATOM 139 CD1 TRP A 12 5.059 0.475 -6.403 1.00 0.00 C ATOM 140 CD2 TRP A 12 3.120 1.083 -5.478 1.00 0.00 C ATOM 141 NE1 TRP A 12 4.965 1.852 -6.468 1.00 0.00 N ATOM 142 CE2 TRP A 12 3.778 2.246 -5.897 1.00 0.00 C ATOM 143 CE3 TRP A 12 1.886 1.197 -4.864 1.00 0.00 C ATOM 144 CZ2 TRP A 12 3.223 3.522 -5.713 1.00 0.00 C ATOM 145 CZ3 TRP A 12 1.332 2.444 -4.672 1.00 0.00 C ATOM 146 CH2 TRP A 12 1.994 3.597 -5.094 1.00 0.00 C ATOM 147 H TRP A 12 2.901 -3.774 -4.493 1.00 0.00 H ATOM 148 HA TRP A 12 4.935 -2.002 -3.882 1.00 0.00 H ATOM 149 HB2 TRP A 12 4.231 -2.102 -6.173 1.00 0.00 H ATOM 150 HB3 TRP A 12 2.584 -1.664 -5.753 1.00 0.00 H ATOM 151 HD1 TRP A 12 5.882 -0.119 -6.772 1.00 0.00 H ATOM 152 HE1 TRP A 12 5.637 2.449 -6.855 1.00 0.00 H ATOM 153 HE3 TRP A 12 1.375 0.314 -4.523 1.00 0.00 H ATOM 154 HZ2 TRP A 12 3.729 4.419 -6.037 1.00 0.00 H ATOM 155 HZ3 TRP A 12 0.371 2.537 -4.189 1.00 0.00 H ATOM 156 HH2 TRP A 12 1.520 4.558 -4.907 1.00 0.00 H ATOM 157 N CYS A 13 2.042 -1.035 -2.886 1.00 0.00 N ATOM 158 CA CYS A 13 1.301 -0.137 -2.054 1.00 0.00 C ATOM 159 C CYS A 13 1.925 0.031 -0.675 1.00 0.00 C ATOM 160 O CYS A 13 2.059 1.145 -0.185 1.00 0.00 O ATOM 161 CB CYS A 13 -0.110 -0.667 -1.951 1.00 0.00 C ATOM 162 SG CYS A 13 -0.925 -0.880 -3.561 1.00 0.00 S ATOM 163 H CYS A 13 1.568 -1.777 -3.308 1.00 0.00 H ATOM 164 HA CYS A 13 1.274 0.824 -2.543 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.092 -1.629 -1.460 1.00 0.00 H ATOM 166 HB3 CYS A 13 -0.705 0.020 -1.368 1.00 0.00 H ATOM 167 N ARG A 14 2.323 -1.061 -0.051 1.00 0.00 N ATOM 168 CA ARG A 14 2.932 -0.960 1.276 1.00 0.00 C ATOM 169 C ARG A 14 4.406 -0.646 1.180 1.00 0.00 C ATOM 170 O ARG A 14 5.086 -0.465 2.186 1.00 0.00 O ATOM 171 CB ARG A 14 2.712 -2.231 2.087 1.00 0.00 C ATOM 172 CG ARG A 14 3.177 -3.521 1.427 1.00 0.00 C ATOM 173 CD ARG A 14 4.493 -4.010 2.006 1.00 0.00 C ATOM 174 NE ARG A 14 5.643 -3.362 1.387 1.00 0.00 N ATOM 175 CZ ARG A 14 6.893 -3.479 1.841 1.00 0.00 C ATOM 176 NH1 ARG A 14 7.107 -4.062 3.014 1.00 0.00 N ATOM 177 NH2 ARG A 14 7.919 -2.982 1.155 1.00 0.00 N ATOM 178 H ARG A 14 2.222 -1.943 -0.492 1.00 0.00 H ATOM 179 HA ARG A 14 2.448 -0.143 1.787 1.00 0.00 H ATOM 180 HB2 ARG A 14 3.230 -2.131 3.026 1.00 0.00 H ATOM 181 HB3 ARG A 14 1.664 -2.317 2.280 1.00 0.00 H ATOM 182 HG2 ARG A 14 2.426 -4.282 1.580 1.00 0.00 H ATOM 183 HG3 ARG A 14 3.303 -3.346 0.368 1.00 0.00 H ATOM 184 HD2 ARG A 14 4.504 -3.804 3.066 1.00 0.00 H ATOM 185 HD3 ARG A 14 4.564 -5.075 1.847 1.00 0.00 H ATOM 186 HE ARG A 14 5.474 -2.843 0.569 1.00 0.00 H ATOM 187 HH11 ARG A 14 6.332 -4.402 3.550 1.00 0.00 H ATOM 188 HH12 ARG A 14 8.038 -4.159 3.368 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.769 -2.509 0.277 1.00 0.00 H ATOM 190 HH22 ARG A 14 8.852 -3.070 1.504 1.00 0.00 H ATOM 191 N ASP A 15 4.892 -0.620 -0.035 1.00 0.00 N ATOM 192 CA ASP A 15 6.288 -0.365 -0.291 1.00 0.00 C ATOM 193 C ASP A 15 6.549 1.094 -0.638 1.00 0.00 C ATOM 194 O ASP A 15 7.656 1.592 -0.443 1.00 0.00 O ATOM 195 CB ASP A 15 6.755 -1.275 -1.430 1.00 0.00 C ATOM 196 CG ASP A 15 8.231 -1.138 -1.729 1.00 0.00 C ATOM 197 OD1 ASP A 15 8.613 -0.182 -2.436 1.00 0.00 O ATOM 198 OD2 ASP A 15 9.002 -1.984 -1.237 1.00 0.00 O ATOM 199 H ASP A 15 4.295 -0.796 -0.791 1.00 0.00 H ATOM 200 HA ASP A 15 6.840 -0.616 0.601 1.00 0.00 H ATOM 201 HB2 ASP A 15 6.558 -2.302 -1.164 1.00 0.00 H ATOM 202 HB3 ASP A 15 6.202 -1.029 -2.325 1.00 0.00 H ATOM 203 N HIS A 16 5.563 1.776 -1.212 1.00 0.00 N ATOM 204 CA HIS A 16 5.805 3.145 -1.634 1.00 0.00 C ATOM 205 C HIS A 16 4.671 4.147 -1.414 1.00 0.00 C ATOM 206 O HIS A 16 4.766 5.251 -1.952 1.00 0.00 O ATOM 207 CB HIS A 16 6.123 3.129 -3.123 1.00 0.00 C ATOM 208 CG HIS A 16 7.582 3.272 -3.440 1.00 0.00 C ATOM 209 ND1 HIS A 16 8.527 2.309 -3.146 1.00 0.00 N ATOM 210 CD2 HIS A 16 8.259 4.288 -4.024 1.00 0.00 C ATOM 211 CE1 HIS A 16 9.716 2.725 -3.532 1.00 0.00 C ATOM 212 NE2 HIS A 16 9.582 3.924 -4.069 1.00 0.00 N ATOM 213 H HIS A 16 4.705 1.340 -1.404 1.00 0.00 H ATOM 214 HA HIS A 16 6.679 3.497 -1.114 1.00 0.00 H ATOM 215 HB2 HIS A 16 5.782 2.192 -3.536 1.00 0.00 H ATOM 216 HB3 HIS A 16 5.588 3.933 -3.603 1.00 0.00 H ATOM 217 HD1 HIS A 16 8.354 1.427 -2.712 1.00 0.00 H ATOM 218 HD2 HIS A 16 7.837 5.214 -4.387 1.00 0.00 H ATOM 219 HE1 HIS A 16 10.641 2.179 -3.428 1.00 0.00 H ATOM 220 N ALA A 17 3.607 3.841 -0.673 1.00 0.00 N ATOM 221 CA ALA A 17 2.566 4.856 -0.532 1.00 0.00 C ATOM 222 C ALA A 17 1.664 4.676 0.666 1.00 0.00 C ATOM 223 O ALA A 17 1.537 3.592 1.221 1.00 0.00 O ATOM 224 CB ALA A 17 1.739 4.926 -1.802 1.00 0.00 C ATOM 225 H ALA A 17 3.508 2.954 -0.245 1.00 0.00 H ATOM 226 HA ALA A 17 3.049 5.804 -0.423 1.00 0.00 H ATOM 227 HB1 ALA A 17 2.161 4.264 -2.543 1.00 0.00 H ATOM 228 HB2 ALA A 17 1.742 5.938 -2.179 1.00 0.00 H ATOM 229 HB3 ALA A 17 0.724 4.625 -1.587 1.00 0.00 H ATOM 230 N ARG A 18 1.036 5.782 1.046 1.00 0.00 N ATOM 231 CA ARG A 18 0.097 5.812 2.152 1.00 0.00 C ATOM 232 C ARG A 18 -1.348 5.823 1.629 1.00 0.00 C ATOM 233 O ARG A 18 -2.251 6.303 2.313 1.00 0.00 O ATOM 234 CB ARG A 18 0.376 7.024 3.062 1.00 0.00 C ATOM 235 CG ARG A 18 0.406 8.373 2.346 1.00 0.00 C ATOM 236 CD ARG A 18 -0.984 8.978 2.213 1.00 0.00 C ATOM 237 NE ARG A 18 -0.970 10.266 1.520 1.00 0.00 N ATOM 238 CZ ARG A 18 -2.069 10.971 1.242 1.00 0.00 C ATOM 239 NH1 ARG A 18 -3.265 10.503 1.588 1.00 0.00 N ATOM 240 NH2 ARG A 18 -1.972 12.140 0.616 1.00 0.00 N ATOM 241 H ARG A 18 1.197 6.606 0.542 1.00 0.00 H ATOM 242 HA ARG A 18 0.244 4.908 2.724 1.00 0.00 H ATOM 243 HB2 ARG A 18 -0.391 7.067 3.820 1.00 0.00 H ATOM 244 HB3 ARG A 18 1.332 6.878 3.543 1.00 0.00 H ATOM 245 HG2 ARG A 18 1.028 9.053 2.908 1.00 0.00 H ATOM 246 HG3 ARG A 18 0.823 8.235 1.359 1.00 0.00 H ATOM 247 HD2 ARG A 18 -1.609 8.292 1.661 1.00 0.00 H ATOM 248 HD3 ARG A 18 -1.396 9.118 3.202 1.00 0.00 H ATOM 249 HE ARG A 18 -0.094 10.624 1.254 1.00 0.00 H ATOM 250 HH11 ARG A 18 -3.344 9.620 2.059 1.00 0.00 H ATOM 251 HH12 ARG A 18 -4.094 11.028 1.382 1.00 0.00 H ATOM 252 HH21 ARG A 18 -1.073 12.498 0.351 1.00 0.00 H ATOM 253 HH22 ARG A 18 -2.796 12.671 0.406 1.00 0.00 H ATOM 254 N CYS A 19 -1.565 5.323 0.401 1.00 0.00 N ATOM 255 CA CYS A 19 -2.908 5.320 -0.201 1.00 0.00 C ATOM 256 C CYS A 19 -3.922 4.601 0.691 1.00 0.00 C ATOM 257 O CYS A 19 -5.108 4.918 0.671 1.00 0.00 O ATOM 258 CB CYS A 19 -2.949 4.651 -1.580 1.00 0.00 C ATOM 259 SG CYS A 19 -1.350 4.470 -2.406 1.00 0.00 S ATOM 260 H CYS A 19 -0.808 4.976 -0.116 1.00 0.00 H ATOM 261 HA CYS A 19 -3.201 6.347 -0.321 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.369 3.663 -1.474 1.00 0.00 H ATOM 263 HB3 CYS A 19 -3.588 5.234 -2.228 1.00 0.00 H ATOM 264 N CYS A 20 -3.454 3.615 1.455 1.00 0.00 N ATOM 265 CA CYS A 20 -4.354 2.844 2.338 1.00 0.00 C ATOM 266 C CYS A 20 -4.298 3.374 3.768 1.00 0.00 C ATOM 267 O CYS A 20 -5.166 3.077 4.584 1.00 0.00 O ATOM 268 CB CYS A 20 -3.994 1.344 2.284 1.00 0.00 C ATOM 269 SG CYS A 20 -5.045 0.180 3.240 1.00 0.00 S ATOM 270 H CYS A 20 -2.471 3.399 1.425 1.00 0.00 H ATOM 271 HA CYS A 20 -5.360 2.973 1.967 1.00 0.00 H ATOM 272 HB2 CYS A 20 -4.033 1.024 1.255 1.00 0.00 H ATOM 273 HB3 CYS A 20 -2.979 1.227 2.640 1.00 0.00 H HETATM 274 N NH2 A 21 -3.278 4.166 4.067 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -3.090 4.925 3.474 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -2.754 3.963 4.871 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 9 HETATM 1 N PCA A 1 -11.262 0.899 -2.723 1.00 0.00 N HETATM 2 CA PCA A 1 -10.555 0.753 -1.422 1.00 0.00 C HETATM 3 CB PCA A 1 -11.592 1.270 -0.399 1.00 0.00 C HETATM 4 CG PCA A 1 -12.832 1.667 -1.195 1.00 0.00 C HETATM 5 CD PCA A 1 -12.481 1.383 -2.640 1.00 0.00 C HETATM 6 OE PCA A 1 -13.235 1.575 -3.581 1.00 0.00 O HETATM 7 C PCA A 1 -9.115 1.156 -1.299 1.00 0.00 C HETATM 8 O PCA A 1 -8.323 0.922 -2.210 1.00 0.00 O HETATM 9 H1 PCA A 1 -11.007 0.116 -3.357 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.993 1.794 -3.176 1.00 0.00 H HETATM 11 H3 PCA A 1 -12.293 0.894 -2.580 1.00 0.00 H HETATM 12 HA PCA A 1 -10.528 -0.316 -1.263 1.00 0.00 H HETATM 13 HB2 PCA A 1 -11.203 2.133 0.123 1.00 0.00 H HETATM 14 HB3 PCA A 1 -11.845 0.489 0.304 1.00 0.00 H HETATM 15 HG2 PCA A 1 -13.679 1.067 -0.893 1.00 0.00 H HETATM 16 HG3 PCA A 1 -13.039 2.720 -1.063 1.00 0.00 H ATOM 17 N ASN A 2 -8.769 1.764 -0.176 1.00 0.00 N ATOM 18 CA ASN A 2 -7.403 2.203 0.075 1.00 0.00 C ATOM 19 C ASN A 2 -6.492 1.000 0.312 1.00 0.00 C ATOM 20 O ASN A 2 -6.583 0.324 1.329 1.00 0.00 O ATOM 21 CB ASN A 2 -7.369 3.168 1.266 1.00 0.00 C ATOM 22 CG ASN A 2 -8.186 2.690 2.456 1.00 0.00 C ATOM 23 OD1 ASN A 2 -9.394 2.465 2.349 1.00 0.00 O ATOM 24 ND2 ASN A 2 -7.534 2.538 3.596 1.00 0.00 N ATOM 25 H ASN A 2 -9.450 1.921 0.518 1.00 0.00 H ATOM 26 HA ASN A 2 -7.061 2.725 -0.806 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.345 3.287 1.589 1.00 0.00 H ATOM 28 HB3 ASN A 2 -7.749 4.125 0.949 1.00 0.00 H ATOM 29 HD21 ASN A 2 -6.572 2.739 3.609 1.00 0.00 H ATOM 30 HD22 ASN A 2 -8.032 2.231 4.378 1.00 0.00 H ATOM 31 N CYS A 3 -5.658 0.708 -0.674 1.00 0.00 N ATOM 32 CA CYS A 3 -4.758 -0.444 -0.622 1.00 0.00 C ATOM 33 C CYS A 3 -3.287 -0.111 -0.270 1.00 0.00 C ATOM 34 O CYS A 3 -2.599 -0.887 0.394 1.00 0.00 O ATOM 35 CB CYS A 3 -4.813 -1.153 -1.976 1.00 0.00 C ATOM 36 SG CYS A 3 -3.808 -2.663 -2.070 1.00 0.00 S ATOM 37 H CYS A 3 -5.673 1.260 -1.482 1.00 0.00 H ATOM 38 HA CYS A 3 -5.142 -1.119 0.126 1.00 0.00 H ATOM 39 HB2 CYS A 3 -5.835 -1.428 -2.188 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.463 -0.476 -2.741 1.00 0.00 H ATOM 41 N CYS A 4 -2.791 0.995 -0.806 1.00 0.00 N ATOM 42 CA CYS A 4 -1.391 1.400 -0.676 1.00 0.00 C ATOM 43 C CYS A 4 -1.072 2.325 0.497 1.00 0.00 C ATOM 44 O CYS A 4 -1.060 3.539 0.352 1.00 0.00 O ATOM 45 CB CYS A 4 -0.980 2.114 -1.950 1.00 0.00 C ATOM 46 SG CYS A 4 -1.752 1.516 -3.476 1.00 0.00 S ATOM 47 H CYS A 4 -3.358 1.523 -1.355 1.00 0.00 H ATOM 48 HA CYS A 4 -0.796 0.506 -0.585 1.00 0.00 H ATOM 49 HB2 CYS A 4 -1.227 3.160 -1.856 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.088 2.019 -2.067 1.00 0.00 H ATOM 51 N ASN A 5 -0.760 1.744 1.626 1.00 0.00 N ATOM 52 CA ASN A 5 -0.363 2.498 2.817 1.00 0.00 C ATOM 53 C ASN A 5 0.528 1.587 3.601 1.00 0.00 C ATOM 54 O ASN A 5 1.504 1.988 4.225 1.00 0.00 O ATOM 55 CB ASN A 5 -1.557 2.925 3.674 1.00 0.00 C ATOM 56 CG ASN A 5 -1.165 3.894 4.774 1.00 0.00 C ATOM 57 OD1 ASN A 5 -0.660 4.981 4.503 1.00 0.00 O ATOM 58 ND2 ASN A 5 -1.404 3.513 6.019 1.00 0.00 N ATOM 59 H ASN A 5 -0.744 0.772 1.661 1.00 0.00 H ATOM 60 HA ASN A 5 0.198 3.367 2.502 1.00 0.00 H ATOM 61 HB2 ASN A 5 -2.291 3.406 3.044 1.00 0.00 H ATOM 62 HB3 ASN A 5 -2.000 2.050 4.130 1.00 0.00 H ATOM 63 HD21 ASN A 5 -1.816 2.638 6.166 1.00 0.00 H ATOM 64 HD22 ASN A 5 -1.159 4.126 6.743 1.00 0.00 H ATOM 65 N GLY A 6 0.165 0.326 3.514 1.00 0.00 N ATOM 66 CA GLY A 6 0.904 -0.715 4.170 1.00 0.00 C ATOM 67 C GLY A 6 0.456 -2.061 3.687 1.00 0.00 C ATOM 68 O GLY A 6 0.511 -3.042 4.420 1.00 0.00 O ATOM 69 H GLY A 6 -0.626 0.099 2.973 1.00 0.00 H ATOM 70 HA2 GLY A 6 1.950 -0.593 3.951 1.00 0.00 H ATOM 71 HA3 GLY A 6 0.749 -0.650 5.236 1.00 0.00 H ATOM 72 N GLY A 7 -0.007 -2.105 2.438 1.00 0.00 N ATOM 73 CA GLY A 7 -0.477 -3.351 1.893 1.00 0.00 C ATOM 74 C GLY A 7 -1.839 -3.676 2.437 1.00 0.00 C ATOM 75 O GLY A 7 -2.162 -4.835 2.673 1.00 0.00 O ATOM 76 H GLY A 7 -0.046 -1.284 1.893 1.00 0.00 H ATOM 77 HA2 GLY A 7 -0.530 -3.272 0.816 1.00 0.00 H ATOM 78 HA3 GLY A 7 0.208 -4.141 2.161 1.00 0.00 H ATOM 79 N CYS A 8 -2.622 -2.616 2.637 1.00 0.00 N ATOM 80 CA CYS A 8 -3.973 -2.719 3.166 1.00 0.00 C ATOM 81 C CYS A 8 -4.742 -3.823 2.434 1.00 0.00 C ATOM 82 O CYS A 8 -5.256 -4.750 3.056 1.00 0.00 O ATOM 83 CB CYS A 8 -4.673 -1.351 3.033 1.00 0.00 C ATOM 84 SG CYS A 8 -3.624 0.067 3.555 1.00 0.00 S ATOM 85 H CYS A 8 -2.268 -1.729 2.429 1.00 0.00 H ATOM 86 HA CYS A 8 -3.902 -2.979 4.209 1.00 0.00 H ATOM 87 HB2 CYS A 8 -4.951 -1.193 2.001 1.00 0.00 H ATOM 88 HB3 CYS A 8 -5.560 -1.347 3.646 1.00 0.00 H ATOM 89 N SER A 9 -4.782 -3.737 1.112 1.00 0.00 N ATOM 90 CA SER A 9 -5.441 -4.755 0.306 1.00 0.00 C ATOM 91 C SER A 9 -4.418 -5.732 -0.305 1.00 0.00 C ATOM 92 O SER A 9 -4.677 -6.930 -0.405 1.00 0.00 O ATOM 93 CB SER A 9 -6.299 -4.108 -0.782 1.00 0.00 C ATOM 94 OG SER A 9 -7.112 -3.080 -0.235 1.00 0.00 O ATOM 95 H SER A 9 -4.332 -2.995 0.670 1.00 0.00 H ATOM 96 HA SER A 9 -6.088 -5.314 0.966 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.657 -3.681 -1.538 1.00 0.00 H ATOM 98 HB3 SER A 9 -6.936 -4.856 -1.229 1.00 0.00 H ATOM 99 HG SER A 9 -7.314 -3.291 0.682 1.00 0.00 H ATOM 100 N SER A 10 -3.265 -5.206 -0.744 1.00 0.00 N ATOM 101 CA SER A 10 -2.225 -6.025 -1.375 1.00 0.00 C ATOM 102 C SER A 10 -0.824 -5.410 -1.215 1.00 0.00 C ATOM 103 O SER A 10 -0.676 -4.223 -0.919 1.00 0.00 O ATOM 104 CB SER A 10 -2.533 -6.220 -2.862 1.00 0.00 C ATOM 105 OG SER A 10 -3.794 -6.836 -3.050 1.00 0.00 O ATOM 106 H SER A 10 -3.121 -4.242 -0.664 1.00 0.00 H ATOM 107 HA SER A 10 -2.233 -6.990 -0.891 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.537 -5.261 -3.354 1.00 0.00 H ATOM 109 HB3 SER A 10 -1.771 -6.846 -3.304 1.00 0.00 H ATOM 110 HG SER A 10 -4.194 -7.020 -2.187 1.00 0.00 H ATOM 111 N LYS A 11 0.192 -6.254 -1.401 1.00 0.00 N ATOM 112 CA LYS A 11 1.601 -5.882 -1.269 1.00 0.00 C ATOM 113 C LYS A 11 2.050 -4.830 -2.287 1.00 0.00 C ATOM 114 O LYS A 11 2.760 -3.897 -1.921 1.00 0.00 O ATOM 115 CB LYS A 11 2.467 -7.137 -1.403 1.00 0.00 C ATOM 116 CG LYS A 11 3.954 -6.879 -1.239 1.00 0.00 C ATOM 117 CD LYS A 11 4.767 -8.147 -1.445 1.00 0.00 C ATOM 118 CE LYS A 11 4.499 -9.178 -0.358 1.00 0.00 C ATOM 119 NZ LYS A 11 5.322 -10.406 -0.540 1.00 0.00 N ATOM 120 H LYS A 11 -0.014 -7.174 -1.621 1.00 0.00 H ATOM 121 HA LYS A 11 1.738 -5.478 -0.279 1.00 0.00 H ATOM 122 HB2 LYS A 11 2.163 -7.850 -0.651 1.00 0.00 H ATOM 123 HB3 LYS A 11 2.304 -7.568 -2.380 1.00 0.00 H ATOM 124 HG2 LYS A 11 4.265 -6.144 -1.966 1.00 0.00 H ATOM 125 HG3 LYS A 11 4.137 -6.503 -0.243 1.00 0.00 H ATOM 126 HD2 LYS A 11 4.510 -8.576 -2.402 1.00 0.00 H ATOM 127 HD3 LYS A 11 5.812 -7.891 -1.435 1.00 0.00 H ATOM 128 HE2 LYS A 11 4.731 -8.740 0.601 1.00 0.00 H ATOM 129 HE3 LYS A 11 3.453 -9.448 -0.386 1.00 0.00 H ATOM 130 HZ1 LYS A 11 4.734 -11.181 -0.909 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.732 -10.701 0.369 1.00 0.00 H ATOM 132 HZ3 LYS A 11 6.095 -10.222 -1.212 1.00 0.00 H ATOM 133 N TRP A 12 1.645 -4.982 -3.554 1.00 0.00 N ATOM 134 CA TRP A 12 2.021 -4.028 -4.614 1.00 0.00 C ATOM 135 C TRP A 12 1.780 -2.613 -4.152 1.00 0.00 C ATOM 136 O TRP A 12 2.553 -1.700 -4.425 1.00 0.00 O ATOM 137 CB TRP A 12 1.205 -4.304 -5.903 1.00 0.00 C ATOM 138 CG TRP A 12 1.232 -3.197 -6.944 1.00 0.00 C ATOM 139 CD1 TRP A 12 1.954 -3.154 -8.104 1.00 0.00 C ATOM 140 CD2 TRP A 12 0.491 -1.972 -6.900 1.00 0.00 C ATOM 141 NE1 TRP A 12 1.695 -1.976 -8.779 1.00 0.00 N ATOM 142 CE2 TRP A 12 0.800 -1.230 -8.048 1.00 0.00 C ATOM 143 CE3 TRP A 12 -0.399 -1.445 -5.985 1.00 0.00 C ATOM 144 CZ2 TRP A 12 0.232 0.030 -8.294 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -0.959 -0.207 -6.212 1.00 0.00 C ATOM 146 CH2 TRP A 12 -0.649 0.524 -7.356 1.00 0.00 C ATOM 147 H TRP A 12 1.083 -5.749 -3.785 1.00 0.00 H ATOM 148 HA TRP A 12 3.061 -4.144 -4.815 1.00 0.00 H ATOM 149 HB2 TRP A 12 1.584 -5.195 -6.369 1.00 0.00 H ATOM 150 HB3 TRP A 12 0.173 -4.470 -5.628 1.00 0.00 H ATOM 151 HD1 TRP A 12 2.619 -3.937 -8.437 1.00 0.00 H ATOM 152 HE1 TRP A 12 2.088 -1.716 -9.638 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.637 -1.997 -5.087 1.00 0.00 H ATOM 154 HZ2 TRP A 12 0.468 0.602 -9.179 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -1.652 0.209 -5.495 1.00 0.00 H ATOM 156 HH2 TRP A 12 -1.108 1.503 -7.479 1.00 0.00 H ATOM 157 N CYS A 13 0.674 -2.456 -3.479 1.00 0.00 N ATOM 158 CA CYS A 13 0.235 -1.182 -2.991 1.00 0.00 C ATOM 159 C CYS A 13 1.217 -0.524 -2.037 1.00 0.00 C ATOM 160 O CYS A 13 1.457 0.678 -2.121 1.00 0.00 O ATOM 161 CB CYS A 13 -1.099 -1.386 -2.310 1.00 0.00 C ATOM 162 SG CYS A 13 -2.337 -2.189 -3.368 1.00 0.00 S ATOM 163 H CYS A 13 0.103 -3.235 -3.330 1.00 0.00 H ATOM 164 HA CYS A 13 0.089 -0.534 -3.840 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.960 -2.006 -1.436 1.00 0.00 H ATOM 166 HB3 CYS A 13 -1.495 -0.427 -2.010 1.00 0.00 H ATOM 167 N ARG A 14 1.781 -1.284 -1.125 1.00 0.00 N ATOM 168 CA ARG A 14 2.705 -0.687 -0.164 1.00 0.00 C ATOM 169 C ARG A 14 4.066 -0.429 -0.765 1.00 0.00 C ATOM 170 O ARG A 14 4.899 0.246 -0.169 1.00 0.00 O ATOM 171 CB ARG A 14 2.839 -1.544 1.078 1.00 0.00 C ATOM 172 CG ARG A 14 3.379 -2.942 0.839 1.00 0.00 C ATOM 173 CD ARG A 14 4.721 -3.128 1.514 1.00 0.00 C ATOM 174 NE ARG A 14 5.807 -2.496 0.774 1.00 0.00 N ATOM 175 CZ ARG A 14 7.021 -2.282 1.281 1.00 0.00 C ATOM 176 NH1 ARG A 14 7.233 -2.484 2.576 1.00 0.00 N ATOM 177 NH2 ARG A 14 8.007 -1.834 0.514 1.00 0.00 N ATOM 178 H ARG A 14 1.574 -2.257 -1.093 1.00 0.00 H ATOM 179 HA ARG A 14 2.281 0.265 0.128 1.00 0.00 H ATOM 180 HB2 ARG A 14 3.499 -1.042 1.767 1.00 0.00 H ATOM 181 HB3 ARG A 14 1.872 -1.629 1.525 1.00 0.00 H ATOM 182 HG2 ARG A 14 2.681 -3.662 1.239 1.00 0.00 H ATOM 183 HG3 ARG A 14 3.493 -3.098 -0.224 1.00 0.00 H ATOM 184 HD2 ARG A 14 4.671 -2.687 2.494 1.00 0.00 H ATOM 185 HD3 ARG A 14 4.924 -4.185 1.604 1.00 0.00 H ATOM 186 HE ARG A 14 5.630 -2.255 -0.165 1.00 0.00 H ATOM 187 HH11 ARG A 14 6.482 -2.789 3.163 1.00 0.00 H ATOM 188 HH12 ARG A 14 8.141 -2.331 2.968 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.853 -1.651 -0.477 1.00 0.00 H ATOM 190 HH22 ARG A 14 8.914 -1.674 0.899 1.00 0.00 H ATOM 191 N ASP A 15 4.289 -0.974 -1.934 1.00 0.00 N ATOM 192 CA ASP A 15 5.556 -0.806 -2.605 1.00 0.00 C ATOM 193 C ASP A 15 5.356 -0.030 -3.892 1.00 0.00 C ATOM 194 O ASP A 15 6.107 -0.180 -4.854 1.00 0.00 O ATOM 195 CB ASP A 15 6.182 -2.172 -2.888 1.00 0.00 C ATOM 196 CG ASP A 15 7.690 -2.100 -2.998 1.00 0.00 C ATOM 197 OD1 ASP A 15 8.322 -1.606 -2.037 1.00 0.00 O ATOM 198 OD2 ASP A 15 8.241 -2.556 -4.016 1.00 0.00 O ATOM 199 H ASP A 15 3.587 -1.502 -2.358 1.00 0.00 H ATOM 200 HA ASP A 15 6.207 -0.245 -1.953 1.00 0.00 H ATOM 201 HB2 ASP A 15 5.930 -2.850 -2.086 1.00 0.00 H ATOM 202 HB3 ASP A 15 5.787 -2.557 -3.817 1.00 0.00 H ATOM 203 N HIS A 16 4.322 0.806 -3.926 1.00 0.00 N ATOM 204 CA HIS A 16 4.067 1.571 -5.126 1.00 0.00 C ATOM 205 C HIS A 16 3.398 2.915 -4.874 1.00 0.00 C ATOM 206 O HIS A 16 3.600 3.834 -5.671 1.00 0.00 O ATOM 207 CB HIS A 16 3.228 0.771 -6.118 1.00 0.00 C ATOM 208 CG HIS A 16 3.554 1.088 -7.543 1.00 0.00 C ATOM 209 ND1 HIS A 16 3.380 2.340 -8.098 1.00 0.00 N ATOM 210 CD2 HIS A 16 4.059 0.310 -8.528 1.00 0.00 C ATOM 211 CE1 HIS A 16 3.759 2.316 -9.361 1.00 0.00 C ATOM 212 NE2 HIS A 16 4.177 1.097 -9.648 1.00 0.00 N ATOM 213 H HIS A 16 3.734 0.890 -3.148 1.00 0.00 H ATOM 214 HA HIS A 16 5.022 1.763 -5.580 1.00 0.00 H ATOM 215 HB2 HIS A 16 3.393 -0.283 -5.962 1.00 0.00 H ATOM 216 HB3 HIS A 16 2.183 0.994 -5.958 1.00 0.00 H ATOM 217 HD1 HIS A 16 3.044 3.134 -7.625 1.00 0.00 H ATOM 218 HD2 HIS A 16 4.322 -0.736 -8.448 1.00 0.00 H ATOM 219 HE1 HIS A 16 3.735 3.152 -10.044 1.00 0.00 H ATOM 220 N ALA A 17 2.581 3.060 -3.824 1.00 0.00 N ATOM 221 CA ALA A 17 1.917 4.360 -3.633 1.00 0.00 C ATOM 222 C ALA A 17 1.224 4.539 -2.307 1.00 0.00 C ATOM 223 O ALA A 17 1.209 3.660 -1.457 1.00 0.00 O ATOM 224 CB ALA A 17 0.913 4.600 -4.755 1.00 0.00 C ATOM 225 H ALA A 17 2.409 2.299 -3.200 1.00 0.00 H ATOM 226 HA ALA A 17 2.655 5.122 -3.704 1.00 0.00 H ATOM 227 HB1 ALA A 17 0.755 5.662 -4.875 1.00 0.00 H ATOM 228 HB2 ALA A 17 -0.024 4.122 -4.509 1.00 0.00 H ATOM 229 HB3 ALA A 17 1.297 4.186 -5.676 1.00 0.00 H ATOM 230 N ARG A 18 0.651 5.729 -2.167 1.00 0.00 N ATOM 231 CA ARG A 18 -0.095 6.117 -0.987 1.00 0.00 C ATOM 232 C ARG A 18 -1.603 6.015 -1.250 1.00 0.00 C ATOM 233 O ARG A 18 -2.384 6.780 -0.687 1.00 0.00 O ATOM 234 CB ARG A 18 0.306 7.535 -0.538 1.00 0.00 C ATOM 235 CG ARG A 18 0.256 8.596 -1.637 1.00 0.00 C ATOM 236 CD ARG A 18 -1.135 9.196 -1.789 1.00 0.00 C ATOM 237 NE ARG A 18 -1.200 10.191 -2.860 1.00 0.00 N ATOM 238 CZ ARG A 18 -2.319 10.828 -3.213 1.00 0.00 C ATOM 239 NH1 ARG A 18 -3.462 10.564 -2.586 1.00 0.00 N ATOM 240 NH2 ARG A 18 -2.294 11.727 -4.193 1.00 0.00 N ATOM 241 H ARG A 18 0.724 6.367 -2.905 1.00 0.00 H ATOM 242 HA ARG A 18 0.160 5.421 -0.201 1.00 0.00 H ATOM 243 HB2 ARG A 18 -0.359 7.846 0.254 1.00 0.00 H ATOM 244 HB3 ARG A 18 1.314 7.501 -0.150 1.00 0.00 H ATOM 245 HG2 ARG A 18 0.950 9.386 -1.391 1.00 0.00 H ATOM 246 HG3 ARG A 18 0.546 8.142 -2.573 1.00 0.00 H ATOM 247 HD2 ARG A 18 -1.832 8.401 -2.009 1.00 0.00 H ATOM 248 HD3 ARG A 18 -1.412 9.666 -0.857 1.00 0.00 H ATOM 249 HE ARG A 18 -0.365 10.395 -3.335 1.00 0.00 H ATOM 250 HH11 ARG A 18 -3.486 9.885 -1.847 1.00 0.00 H ATOM 251 HH12 ARG A 18 -4.304 11.040 -2.846 1.00 0.00 H ATOM 252 HH21 ARG A 18 -1.437 11.929 -4.671 1.00 0.00 H ATOM 253 HH22 ARG A 18 -3.133 12.207 -4.459 1.00 0.00 H ATOM 254 N CYS A 19 -2.015 5.077 -2.118 1.00 0.00 N ATOM 255 CA CYS A 19 -3.439 4.910 -2.446 1.00 0.00 C ATOM 256 C CYS A 19 -4.258 4.637 -1.180 1.00 0.00 C ATOM 257 O CYS A 19 -5.465 4.859 -1.150 1.00 0.00 O ATOM 258 CB CYS A 19 -3.688 3.767 -3.434 1.00 0.00 C ATOM 259 SG CYS A 19 -2.240 3.248 -4.393 1.00 0.00 S ATOM 260 H CYS A 19 -1.352 4.500 -2.551 1.00 0.00 H ATOM 261 HA CYS A 19 -3.774 5.824 -2.902 1.00 0.00 H ATOM 262 HB2 CYS A 19 -4.038 2.904 -2.889 1.00 0.00 H ATOM 263 HB3 CYS A 19 -4.452 4.073 -4.135 1.00 0.00 H ATOM 264 N CYS A 20 -3.589 4.137 -0.141 1.00 0.00 N ATOM 265 CA CYS A 20 -4.267 3.822 1.132 1.00 0.00 C ATOM 266 C CYS A 20 -3.931 4.858 2.201 1.00 0.00 C ATOM 267 O CYS A 20 -4.601 4.944 3.226 1.00 0.00 O ATOM 268 CB CYS A 20 -3.880 2.406 1.598 1.00 0.00 C ATOM 269 SG CYS A 20 -4.679 1.764 3.113 1.00 0.00 S ATOM 270 H CYS A 20 -2.599 3.975 -0.232 1.00 0.00 H ATOM 271 HA CYS A 20 -5.331 3.850 0.950 1.00 0.00 H ATOM 272 HB2 CYS A 20 -4.115 1.713 0.806 1.00 0.00 H ATOM 273 HB3 CYS A 20 -2.812 2.385 1.764 1.00 0.00 H HETATM 274 N NH2 A 21 -2.894 5.648 1.957 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -2.851 6.100 1.088 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -2.215 5.750 2.658 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 10 HETATM 1 N PCA A 1 -8.931 1.637 -3.509 1.00 0.00 N HETATM 2 CA PCA A 1 -9.074 0.823 -2.271 1.00 0.00 C HETATM 3 CB PCA A 1 -10.605 0.767 -2.063 1.00 0.00 C HETATM 4 CG PCA A 1 -11.232 1.544 -3.217 1.00 0.00 C HETATM 5 CD PCA A 1 -10.064 2.038 -4.043 1.00 0.00 C HETATM 6 OE PCA A 1 -10.174 2.704 -5.060 1.00 0.00 O HETATM 7 C PCA A 1 -8.165 1.066 -1.101 1.00 0.00 C HETATM 8 O PCA A 1 -6.977 1.328 -1.282 1.00 0.00 O HETATM 9 H1 PCA A 1 -8.731 2.627 -3.262 1.00 0.00 H HETATM 10 H2 PCA A 1 -9.805 1.605 -4.071 1.00 0.00 H HETATM 11 H3 PCA A 1 -8.148 1.273 -4.087 1.00 0.00 H HETATM 12 HA PCA A 1 -8.808 -0.175 -2.589 1.00 0.00 H HETATM 13 HB2 PCA A 1 -10.872 1.231 -1.125 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.948 -0.258 -2.086 1.00 0.00 H HETATM 15 HG2 PCA A 1 -11.859 0.892 -3.811 1.00 0.00 H HETATM 16 HG3 PCA A 1 -11.800 2.383 -2.837 1.00 0.00 H ATOM 17 N ASN A 2 -8.713 0.989 0.105 1.00 0.00 N ATOM 18 CA ASN A 2 -7.933 1.208 1.321 1.00 0.00 C ATOM 19 C ASN A 2 -7.068 0.010 1.657 1.00 0.00 C ATOM 20 O ASN A 2 -7.254 -0.624 2.681 1.00 0.00 O ATOM 21 CB ASN A 2 -8.833 1.508 2.512 1.00 0.00 C ATOM 22 CG ASN A 2 -9.017 2.989 2.750 1.00 0.00 C ATOM 23 OD1 ASN A 2 -9.547 3.706 1.903 1.00 0.00 O ATOM 24 ND2 ASN A 2 -8.573 3.453 3.910 1.00 0.00 N ATOM 25 H ASN A 2 -9.668 0.782 0.186 1.00 0.00 H ATOM 26 HA ASN A 2 -7.292 2.059 1.149 1.00 0.00 H ATOM 27 HB2 ASN A 2 -9.791 1.066 2.335 1.00 0.00 H ATOM 28 HB3 ASN A 2 -8.398 1.071 3.401 1.00 0.00 H ATOM 29 HD21 ASN A 2 -8.164 2.820 4.538 1.00 0.00 H ATOM 30 HD22 ASN A 2 -8.656 4.409 4.089 1.00 0.00 H ATOM 31 N CYS A 3 -6.135 -0.307 0.795 1.00 0.00 N ATOM 32 CA CYS A 3 -5.238 -1.422 1.028 1.00 0.00 C ATOM 33 C CYS A 3 -3.845 -0.950 1.478 1.00 0.00 C ATOM 34 O CYS A 3 -3.023 -1.733 1.955 1.00 0.00 O ATOM 35 CB CYS A 3 -5.138 -2.258 -0.239 1.00 0.00 C ATOM 36 SG CYS A 3 -4.732 -1.314 -1.732 1.00 0.00 S ATOM 37 H CYS A 3 -6.035 0.229 -0.024 1.00 0.00 H ATOM 38 HA CYS A 3 -5.666 -2.030 1.811 1.00 0.00 H ATOM 39 HB2 CYS A 3 -4.370 -3.005 -0.108 1.00 0.00 H ATOM 40 HB3 CYS A 3 -6.084 -2.750 -0.410 1.00 0.00 H ATOM 41 N CYS A 4 -3.576 0.321 1.231 1.00 0.00 N ATOM 42 CA CYS A 4 -2.273 0.942 1.480 1.00 0.00 C ATOM 43 C CYS A 4 -2.115 1.639 2.834 1.00 0.00 C ATOM 44 O CYS A 4 -2.127 2.863 2.907 1.00 0.00 O ATOM 45 CB CYS A 4 -2.030 1.985 0.408 1.00 0.00 C ATOM 46 SG CYS A 4 -2.607 1.571 -1.257 1.00 0.00 S ATOM 47 H CYS A 4 -4.261 0.852 0.813 1.00 0.00 H ATOM 48 HA CYS A 4 -1.517 0.180 1.388 1.00 0.00 H ATOM 49 HB2 CYS A 4 -2.524 2.899 0.698 1.00 0.00 H ATOM 50 HB3 CYS A 4 -0.970 2.170 0.347 1.00 0.00 H ATOM 51 N ASN A 5 -1.937 0.878 3.883 1.00 0.00 N ATOM 52 CA ASN A 5 -1.727 1.435 5.222 1.00 0.00 C ATOM 53 C ASN A 5 -0.923 0.432 6.003 1.00 0.00 C ATOM 54 O ASN A 5 -0.022 0.763 6.765 1.00 0.00 O ATOM 55 CB ASN A 5 -3.057 1.766 5.916 1.00 0.00 C ATOM 56 CG ASN A 5 -2.962 1.848 7.426 1.00 0.00 C ATOM 57 OD1 ASN A 5 -2.193 2.633 7.974 1.00 0.00 O ATOM 58 ND2 ASN A 5 -3.767 1.046 8.106 1.00 0.00 N ATOM 59 H ASN A 5 -1.909 -0.089 3.763 1.00 0.00 H ATOM 60 HA ASN A 5 -1.143 2.339 5.115 1.00 0.00 H ATOM 61 HB2 ASN A 5 -3.401 2.724 5.555 1.00 0.00 H ATOM 62 HB3 ASN A 5 -3.793 1.017 5.657 1.00 0.00 H ATOM 63 HD21 ASN A 5 -4.366 0.456 7.604 1.00 0.00 H ATOM 64 HD22 ASN A 5 -3.737 1.083 9.081 1.00 0.00 H ATOM 65 N GLY A 6 -1.248 -0.815 5.747 1.00 0.00 N ATOM 66 CA GLY A 6 -0.555 -1.908 6.371 1.00 0.00 C ATOM 67 C GLY A 6 -0.819 -3.182 5.627 1.00 0.00 C ATOM 68 O GLY A 6 -0.843 -4.259 6.211 1.00 0.00 O ATOM 69 H GLY A 6 -1.963 -0.996 5.100 1.00 0.00 H ATOM 70 HA2 GLY A 6 0.503 -1.706 6.364 1.00 0.00 H ATOM 71 HA3 GLY A 6 -0.894 -2.014 7.390 1.00 0.00 H ATOM 72 N GLY A 7 -1.047 -3.051 4.321 1.00 0.00 N ATOM 73 CA GLY A 7 -1.341 -4.213 3.522 1.00 0.00 C ATOM 74 C GLY A 7 -2.743 -4.668 3.798 1.00 0.00 C ATOM 75 O GLY A 7 -3.026 -5.860 3.829 1.00 0.00 O ATOM 76 H GLY A 7 -1.040 -2.157 3.905 1.00 0.00 H ATOM 77 HA2 GLY A 7 -1.241 -3.964 2.475 1.00 0.00 H ATOM 78 HA3 GLY A 7 -0.654 -5.006 3.772 1.00 0.00 H ATOM 79 N CYS A 8 -3.607 -3.677 4.019 1.00 0.00 N ATOM 80 CA CYS A 8 -5.009 -3.903 4.323 1.00 0.00 C ATOM 81 C CYS A 8 -5.596 -4.924 3.341 1.00 0.00 C ATOM 82 O CYS A 8 -6.082 -5.977 3.747 1.00 0.00 O ATOM 83 CB CYS A 8 -5.758 -2.550 4.286 1.00 0.00 C ATOM 84 SG CYS A 8 -4.830 -1.165 5.079 1.00 0.00 S ATOM 85 H CYS A 8 -3.279 -2.759 3.989 1.00 0.00 H ATOM 86 HA CYS A 8 -5.067 -4.310 5.319 1.00 0.00 H ATOM 87 HB2 CYS A 8 -5.943 -2.276 3.257 1.00 0.00 H ATOM 88 HB3 CYS A 8 -6.700 -2.653 4.802 1.00 0.00 H ATOM 89 N SER A 9 -5.508 -4.628 2.051 1.00 0.00 N ATOM 90 CA SER A 9 -5.984 -5.553 1.026 1.00 0.00 C ATOM 91 C SER A 9 -4.827 -6.313 0.347 1.00 0.00 C ATOM 92 O SER A 9 -4.973 -7.482 0.000 1.00 0.00 O ATOM 93 CB SER A 9 -6.836 -4.831 -0.017 1.00 0.00 C ATOM 94 OG SER A 9 -7.769 -3.962 0.607 1.00 0.00 O ATOM 95 H SER A 9 -5.083 -3.796 1.787 1.00 0.00 H ATOM 96 HA SER A 9 -6.607 -6.279 1.526 1.00 0.00 H ATOM 97 HB2 SER A 9 -6.196 -4.250 -0.664 1.00 0.00 H ATOM 98 HB3 SER A 9 -7.377 -5.559 -0.604 1.00 0.00 H ATOM 99 HG SER A 9 -8.258 -4.450 1.279 1.00 0.00 H ATOM 100 N SER A 10 -3.685 -5.636 0.122 1.00 0.00 N ATOM 101 CA SER A 10 -2.548 -6.274 -0.555 1.00 0.00 C ATOM 102 C SER A 10 -1.203 -5.605 -0.219 1.00 0.00 C ATOM 103 O SER A 10 -1.152 -4.556 0.432 1.00 0.00 O ATOM 104 CB SER A 10 -2.775 -6.261 -2.073 1.00 0.00 C ATOM 105 OG SER A 10 -1.756 -6.969 -2.763 1.00 0.00 O ATOM 106 H SER A 10 -3.616 -4.702 0.391 1.00 0.00 H ATOM 107 HA SER A 10 -2.508 -7.300 -0.224 1.00 0.00 H ATOM 108 HB2 SER A 10 -3.720 -6.726 -2.291 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.787 -5.239 -2.424 1.00 0.00 H ATOM 110 HG SER A 10 -2.161 -7.624 -3.342 1.00 0.00 H ATOM 111 N LYS A 11 -0.123 -6.250 -0.675 1.00 0.00 N ATOM 112 CA LYS A 11 1.254 -5.797 -0.452 1.00 0.00 C ATOM 113 C LYS A 11 1.588 -4.504 -1.188 1.00 0.00 C ATOM 114 O LYS A 11 2.051 -3.559 -0.562 1.00 0.00 O ATOM 115 CB LYS A 11 2.248 -6.876 -0.886 1.00 0.00 C ATOM 116 CG LYS A 11 3.682 -6.368 -0.967 1.00 0.00 C ATOM 117 CD LYS A 11 4.609 -7.393 -1.592 1.00 0.00 C ATOM 118 CE LYS A 11 5.996 -6.814 -1.848 1.00 0.00 C ATOM 119 NZ LYS A 11 6.584 -6.184 -0.633 1.00 0.00 N ATOM 120 H LYS A 11 -0.266 -7.074 -1.181 1.00 0.00 H ATOM 121 HA LYS A 11 1.373 -5.628 0.607 1.00 0.00 H ATOM 122 HB2 LYS A 11 2.214 -7.689 -0.176 1.00 0.00 H ATOM 123 HB3 LYS A 11 1.963 -7.244 -1.860 1.00 0.00 H ATOM 124 HG2 LYS A 11 3.702 -5.470 -1.566 1.00 0.00 H ATOM 125 HG3 LYS A 11 4.030 -6.143 0.031 1.00 0.00 H ATOM 126 HD2 LYS A 11 4.692 -8.233 -0.927 1.00 0.00 H ATOM 127 HD3 LYS A 11 4.186 -7.717 -2.532 1.00 0.00 H ATOM 128 HE2 LYS A 11 6.647 -7.611 -2.177 1.00 0.00 H ATOM 129 HE3 LYS A 11 5.921 -6.070 -2.627 1.00 0.00 H ATOM 130 HZ1 LYS A 11 7.420 -6.713 -0.320 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.888 -6.164 0.137 1.00 0.00 H ATOM 132 HZ3 LYS A 11 6.871 -5.195 -0.845 1.00 0.00 H ATOM 133 N TRP A 12 1.379 -4.484 -2.514 1.00 0.00 N ATOM 134 CA TRP A 12 1.681 -3.300 -3.348 1.00 0.00 C ATOM 135 C TRP A 12 1.254 -2.034 -2.652 1.00 0.00 C ATOM 136 O TRP A 12 1.930 -1.010 -2.697 1.00 0.00 O ATOM 137 CB TRP A 12 0.968 -3.399 -4.723 1.00 0.00 C ATOM 138 CG TRP A 12 0.956 -2.115 -5.537 1.00 0.00 C ATOM 139 CD1 TRP A 12 1.750 -1.788 -6.602 1.00 0.00 C ATOM 140 CD2 TRP A 12 0.094 -0.988 -5.333 1.00 0.00 C ATOM 141 NE1 TRP A 12 1.426 -0.524 -7.064 1.00 0.00 N ATOM 142 CE2 TRP A 12 0.410 -0.013 -6.289 1.00 0.00 C ATOM 143 CE3 TRP A 12 -0.911 -0.727 -4.419 1.00 0.00 C ATOM 144 CZ2 TRP A 12 -0.261 1.219 -6.345 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -1.575 0.482 -4.461 1.00 0.00 C ATOM 146 CH2 TRP A 12 -1.253 1.447 -5.416 1.00 0.00 C ATOM 147 H TRP A 12 1.030 -5.291 -2.945 1.00 0.00 H ATOM 148 HA TRP A 12 2.735 -3.259 -3.497 1.00 0.00 H ATOM 149 HB2 TRP A 12 1.455 -4.153 -5.313 1.00 0.00 H ATOM 150 HB3 TRP A 12 -0.058 -3.694 -4.559 1.00 0.00 H ATOM 151 HD1 TRP A 12 2.512 -2.432 -7.014 1.00 0.00 H ATOM 152 HE1 TRP A 12 1.849 -0.068 -7.823 1.00 0.00 H ATOM 153 HE3 TRP A 12 -1.161 -1.464 -3.670 1.00 0.00 H ATOM 154 HZ2 TRP A 12 -0.017 1.971 -7.082 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -2.357 0.691 -3.746 1.00 0.00 H ATOM 156 HH2 TRP A 12 -1.799 2.389 -5.399 1.00 0.00 H ATOM 157 N CYS A 13 0.108 -2.124 -2.042 1.00 0.00 N ATOM 158 CA CYS A 13 -0.496 -1.023 -1.353 1.00 0.00 C ATOM 159 C CYS A 13 0.326 -0.510 -0.175 1.00 0.00 C ATOM 160 O CYS A 13 0.455 0.693 0.015 1.00 0.00 O ATOM 161 CB CYS A 13 -1.859 -1.476 -0.888 1.00 0.00 C ATOM 162 SG CYS A 13 -2.930 -2.083 -2.227 1.00 0.00 S ATOM 163 H CYS A 13 -0.376 -2.975 -2.079 1.00 0.00 H ATOM 164 HA CYS A 13 -0.626 -0.221 -2.062 1.00 0.00 H ATOM 165 HB2 CYS A 13 -1.741 -2.277 -0.174 1.00 0.00 H ATOM 166 HB3 CYS A 13 -2.364 -0.648 -0.413 1.00 0.00 H ATOM 167 N ARG A 14 0.901 -1.400 0.607 1.00 0.00 N ATOM 168 CA ARG A 14 1.695 -0.966 1.755 1.00 0.00 C ATOM 169 C ARG A 14 3.119 -0.729 1.335 1.00 0.00 C ATOM 170 O ARG A 14 3.947 -0.215 2.082 1.00 0.00 O ATOM 171 CB ARG A 14 1.625 -1.980 2.890 1.00 0.00 C ATOM 172 CG ARG A 14 1.994 -3.396 2.497 1.00 0.00 C ATOM 173 CD ARG A 14 3.134 -3.889 3.349 1.00 0.00 C ATOM 174 NE ARG A 14 4.394 -3.291 2.945 1.00 0.00 N ATOM 175 CZ ARG A 14 5.464 -3.191 3.724 1.00 0.00 C ATOM 176 NH1 ARG A 14 5.385 -3.518 5.010 1.00 0.00 N ATOM 177 NH2 ARG A 14 6.604 -2.739 3.219 1.00 0.00 N ATOM 178 H ARG A 14 0.820 -2.363 0.396 1.00 0.00 H ATOM 179 HA ARG A 14 1.281 -0.032 2.100 1.00 0.00 H ATOM 180 HB2 ARG A 14 2.297 -1.666 3.673 1.00 0.00 H ATOM 181 HB3 ARG A 14 0.625 -1.992 3.278 1.00 0.00 H ATOM 182 HG2 ARG A 14 1.138 -4.039 2.641 1.00 0.00 H ATOM 183 HG3 ARG A 14 2.293 -3.410 1.459 1.00 0.00 H ATOM 184 HD2 ARG A 14 2.935 -3.620 4.368 1.00 0.00 H ATOM 185 HD3 ARG A 14 3.205 -4.962 3.259 1.00 0.00 H ATOM 186 HE ARG A 14 4.459 -2.981 2.008 1.00 0.00 H ATOM 187 HH11 ARG A 14 4.517 -3.838 5.391 1.00 0.00 H ATOM 188 HH12 ARG A 14 6.189 -3.444 5.600 1.00 0.00 H ATOM 189 HH21 ARG A 14 6.651 -2.479 2.246 1.00 0.00 H ATOM 190 HH22 ARG A 14 7.416 -2.650 3.794 1.00 0.00 H ATOM 191 N ASP A 15 3.373 -1.136 0.126 1.00 0.00 N ATOM 192 CA ASP A 15 4.671 -1.024 -0.483 1.00 0.00 C ATOM 193 C ASP A 15 4.723 0.146 -1.450 1.00 0.00 C ATOM 194 O ASP A 15 5.662 0.256 -2.237 1.00 0.00 O ATOM 195 CB ASP A 15 4.962 -2.319 -1.239 1.00 0.00 C ATOM 196 CG ASP A 15 5.921 -3.241 -0.521 1.00 0.00 C ATOM 197 OD1 ASP A 15 5.630 -3.630 0.626 1.00 0.00 O ATOM 198 OD2 ASP A 15 6.944 -3.630 -1.116 1.00 0.00 O ATOM 199 H ASP A 15 2.649 -1.546 -0.382 1.00 0.00 H ATOM 200 HA ASP A 15 5.401 -0.884 0.291 1.00 0.00 H ATOM 201 HB2 ASP A 15 4.033 -2.851 -1.379 1.00 0.00 H ATOM 202 HB3 ASP A 15 5.366 -2.076 -2.201 1.00 0.00 H ATOM 203 N HIS A 16 3.702 1.004 -1.439 1.00 0.00 N ATOM 204 CA HIS A 16 3.684 2.109 -2.379 1.00 0.00 C ATOM 205 C HIS A 16 2.938 3.357 -1.916 1.00 0.00 C ATOM 206 O HIS A 16 3.284 4.450 -2.362 1.00 0.00 O ATOM 207 CB HIS A 16 3.092 1.641 -3.703 1.00 0.00 C ATOM 208 CG HIS A 16 4.118 1.385 -4.761 1.00 0.00 C ATOM 209 ND1 HIS A 16 3.847 0.681 -5.913 1.00 0.00 N ATOM 210 CD2 HIS A 16 5.419 1.756 -4.847 1.00 0.00 C ATOM 211 CE1 HIS A 16 4.934 0.628 -6.661 1.00 0.00 C ATOM 212 NE2 HIS A 16 5.901 1.273 -6.038 1.00 0.00 N ATOM 213 H HIS A 16 2.952 0.868 -0.828 1.00 0.00 H ATOM 214 HA HIS A 16 4.707 2.385 -2.557 1.00 0.00 H ATOM 215 HB2 HIS A 16 2.548 0.722 -3.540 1.00 0.00 H ATOM 216 HB3 HIS A 16 2.414 2.393 -4.065 1.00 0.00 H ATOM 217 HD1 HIS A 16 2.986 0.266 -6.139 1.00 0.00 H ATOM 218 HD2 HIS A 16 5.972 2.327 -4.114 1.00 0.00 H ATOM 219 HE1 HIS A 16 5.016 0.140 -7.621 1.00 0.00 H ATOM 220 N ALA A 17 1.902 3.239 -1.086 1.00 0.00 N ATOM 221 CA ALA A 17 1.167 4.457 -0.712 1.00 0.00 C ATOM 222 C ALA A 17 0.322 4.350 0.532 1.00 0.00 C ATOM 223 O ALA A 17 0.238 3.313 1.174 1.00 0.00 O ATOM 224 CB ALA A 17 0.294 4.908 -1.876 1.00 0.00 C ATOM 225 H ALA A 17 1.613 2.350 -0.759 1.00 0.00 H ATOM 226 HA ALA A 17 1.877 5.229 -0.536 1.00 0.00 H ATOM 227 HB1 ALA A 17 0.563 4.355 -2.763 1.00 0.00 H ATOM 228 HB2 ALA A 17 0.444 5.963 -2.051 1.00 0.00 H ATOM 229 HB3 ALA A 17 -0.744 4.726 -1.639 1.00 0.00 H ATOM 230 N ARG A 18 -0.290 5.486 0.856 1.00 0.00 N ATOM 231 CA ARG A 18 -1.164 5.619 2.005 1.00 0.00 C ATOM 232 C ARG A 18 -2.641 5.577 1.585 1.00 0.00 C ATOM 233 O ARG A 18 -3.480 6.218 2.217 1.00 0.00 O ATOM 234 CB ARG A 18 -0.837 6.910 2.779 1.00 0.00 C ATOM 235 CG ARG A 18 -0.760 8.173 1.922 1.00 0.00 C ATOM 236 CD ARG A 18 -2.134 8.775 1.664 1.00 0.00 C ATOM 237 NE ARG A 18 -2.072 9.968 0.819 1.00 0.00 N ATOM 238 CZ ARG A 18 -3.148 10.647 0.417 1.00 0.00 C ATOM 239 NH1 ARG A 18 -4.364 10.244 0.777 1.00 0.00 N ATOM 240 NH2 ARG A 18 -3.008 11.727 -0.346 1.00 0.00 N ATOM 241 H ARG A 18 -0.147 6.267 0.284 1.00 0.00 H ATOM 242 HA ARG A 18 -0.974 4.774 2.651 1.00 0.00 H ATOM 243 HB2 ARG A 18 -1.598 7.063 3.529 1.00 0.00 H ATOM 244 HB3 ARG A 18 0.115 6.781 3.273 1.00 0.00 H ATOM 245 HG2 ARG A 18 -0.151 8.904 2.432 1.00 0.00 H ATOM 246 HG3 ARG A 18 -0.304 7.923 0.975 1.00 0.00 H ATOM 247 HD2 ARG A 18 -2.749 8.034 1.176 1.00 0.00 H ATOM 248 HD3 ARG A 18 -2.578 9.040 2.612 1.00 0.00 H ATOM 249 HE ARG A 18 -1.182 10.278 0.544 1.00 0.00 H ATOM 250 HH11 ARG A 18 -4.476 9.429 1.352 1.00 0.00 H ATOM 251 HH12 ARG A 18 -5.175 10.751 0.478 1.00 0.00 H ATOM 252 HH21 ARG A 18 -2.095 12.036 -0.621 1.00 0.00 H ATOM 253 HH22 ARG A 18 -3.814 12.239 -0.650 1.00 0.00 H ATOM 254 N CYS A 19 -2.965 4.835 0.516 1.00 0.00 N ATOM 255 CA CYS A 19 -4.355 4.745 0.043 1.00 0.00 C ATOM 256 C CYS A 19 -5.273 4.201 1.144 1.00 0.00 C ATOM 257 O CYS A 19 -6.481 4.404 1.108 1.00 0.00 O ATOM 258 CB CYS A 19 -4.504 3.861 -1.202 1.00 0.00 C ATOM 259 SG CYS A 19 -2.953 3.408 -2.024 1.00 0.00 S ATOM 260 H CYS A 19 -2.261 4.348 0.036 1.00 0.00 H ATOM 261 HA CYS A 19 -4.667 5.741 -0.219 1.00 0.00 H ATOM 262 HB2 CYS A 19 -4.997 2.944 -0.920 1.00 0.00 H ATOM 263 HB3 CYS A 19 -5.118 4.380 -1.925 1.00 0.00 H ATOM 264 N CYS A 20 -4.687 3.503 2.120 1.00 0.00 N ATOM 265 CA CYS A 20 -5.474 2.931 3.239 1.00 0.00 C ATOM 266 C CYS A 20 -5.322 3.786 4.494 1.00 0.00 C ATOM 267 O CYS A 20 -6.076 3.640 5.453 1.00 0.00 O ATOM 268 CB CYS A 20 -5.043 1.475 3.513 1.00 0.00 C ATOM 269 SG CYS A 20 -5.937 0.547 4.822 1.00 0.00 S ATOM 270 H CYS A 20 -3.689 3.381 2.094 1.00 0.00 H ATOM 271 HA CYS A 20 -6.513 2.938 2.943 1.00 0.00 H ATOM 272 HB2 CYS A 20 -5.158 0.911 2.601 1.00 0.00 H ATOM 273 HB3 CYS A 20 -3.996 1.479 3.781 1.00 0.00 H HETATM 274 N NH2 A 21 -4.347 4.683 4.485 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -4.220 5.222 3.674 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -3.794 4.774 5.289 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 11 HETATM 1 N PCA A 1 -10.640 -1.432 0.254 1.00 0.00 N HETATM 2 CA PCA A 1 -9.982 -0.198 -0.259 1.00 0.00 C HETATM 3 CB PCA A 1 -10.331 -0.217 -1.764 1.00 0.00 C HETATM 4 CG PCA A 1 -11.176 -1.465 -2.004 1.00 0.00 C HETATM 5 CD PCA A 1 -11.288 -2.133 -0.650 1.00 0.00 C HETATM 6 OE PCA A 1 -11.903 -3.168 -0.443 1.00 0.00 O HETATM 7 C PCA A 1 -8.590 0.153 0.179 1.00 0.00 C HETATM 8 O PCA A 1 -7.717 0.412 -0.644 1.00 0.00 O HETATM 9 H1 PCA A 1 -11.418 -1.718 -0.375 1.00 0.00 H HETATM 10 H2 PCA A 1 -11.023 -1.267 1.205 1.00 0.00 H HETATM 11 H3 PCA A 1 -9.950 -2.209 0.303 1.00 0.00 H HETATM 12 HA PCA A 1 -10.582 0.603 0.147 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.427 -0.270 -2.355 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.899 0.664 -2.027 1.00 0.00 H HETATM 15 HG2 PCA A 1 -12.158 -1.189 -2.365 1.00 0.00 H HETATM 16 HG3 PCA A 1 -10.679 -2.124 -2.703 1.00 0.00 H ATOM 17 N ASN A 2 -8.371 0.144 1.486 1.00 0.00 N ATOM 18 CA ASN A 2 -7.063 0.446 2.048 1.00 0.00 C ATOM 19 C ASN A 2 -6.091 -0.693 1.760 1.00 0.00 C ATOM 20 O ASN A 2 -6.144 -1.739 2.387 1.00 0.00 O ATOM 21 CB ASN A 2 -7.175 0.693 3.561 1.00 0.00 C ATOM 22 CG ASN A 2 -7.945 -0.397 4.293 1.00 0.00 C ATOM 23 OD1 ASN A 2 -9.088 -0.711 3.946 1.00 0.00 O ATOM 24 ND2 ASN A 2 -7.327 -0.971 5.314 1.00 0.00 N ATOM 25 H ASN A 2 -9.104 -0.085 2.099 1.00 0.00 H ATOM 26 HA ASN A 2 -6.698 1.344 1.571 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.180 0.738 3.984 1.00 0.00 H ATOM 28 HB3 ASN A 2 -7.672 1.635 3.728 1.00 0.00 H ATOM 29 HD21 ASN A 2 -6.421 -0.667 5.539 1.00 0.00 H ATOM 30 HD22 ASN A 2 -7.795 -1.678 5.801 1.00 0.00 H ATOM 31 N CYS A 3 -5.237 -0.504 0.768 1.00 0.00 N ATOM 32 CA CYS A 3 -4.274 -1.529 0.377 1.00 0.00 C ATOM 33 C CYS A 3 -2.831 -1.250 0.859 1.00 0.00 C ATOM 34 O CYS A 3 -2.042 -2.170 1.083 1.00 0.00 O ATOM 35 CB CYS A 3 -4.312 -1.689 -1.136 1.00 0.00 C ATOM 36 SG CYS A 3 -4.021 -0.154 -2.053 1.00 0.00 S ATOM 37 H CYS A 3 -5.269 0.339 0.265 1.00 0.00 H ATOM 38 HA CYS A 3 -4.601 -2.457 0.821 1.00 0.00 H ATOM 39 HB2 CYS A 3 -3.554 -2.397 -1.434 1.00 0.00 H ATOM 40 HB3 CYS A 3 -5.282 -2.066 -1.425 1.00 0.00 H ATOM 41 N CYS A 4 -2.480 0.027 0.931 1.00 0.00 N ATOM 42 CA CYS A 4 -1.131 0.487 1.281 1.00 0.00 C ATOM 43 C CYS A 4 -0.786 0.423 2.770 1.00 0.00 C ATOM 44 O CYS A 4 -0.781 1.441 3.455 1.00 0.00 O ATOM 45 CB CYS A 4 -0.957 1.926 0.832 1.00 0.00 C ATOM 46 SG CYS A 4 -1.571 2.344 -0.821 1.00 0.00 S ATOM 47 H CYS A 4 -3.130 0.687 0.689 1.00 0.00 H ATOM 48 HA CYS A 4 -0.427 -0.123 0.738 1.00 0.00 H ATOM 49 HB2 CYS A 4 -1.471 2.567 1.530 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.094 2.164 0.856 1.00 0.00 H ATOM 51 N ASN A 5 -0.470 -0.753 3.250 1.00 0.00 N ATOM 52 CA ASN A 5 -0.070 -0.948 4.645 1.00 0.00 C ATOM 53 C ASN A 5 0.813 -2.163 4.678 1.00 0.00 C ATOM 54 O ASN A 5 1.807 -2.238 5.392 1.00 0.00 O ATOM 55 CB ASN A 5 -1.279 -1.133 5.562 1.00 0.00 C ATOM 56 CG ASN A 5 -0.915 -1.206 7.029 1.00 0.00 C ATOM 57 OD1 ASN A 5 -0.184 -0.364 7.544 1.00 0.00 O ATOM 58 ND2 ASN A 5 -1.452 -2.198 7.718 1.00 0.00 N ATOM 59 H ASN A 5 -0.466 -1.519 2.648 1.00 0.00 H ATOM 60 HA ASN A 5 0.500 -0.084 4.958 1.00 0.00 H ATOM 61 HB2 ASN A 5 -1.953 -0.300 5.425 1.00 0.00 H ATOM 62 HB3 ASN A 5 -1.790 -2.046 5.292 1.00 0.00 H ATOM 63 HD21 ASN A 5 -2.043 -2.822 7.250 1.00 0.00 H ATOM 64 HD22 ASN A 5 -1.249 -2.258 8.671 1.00 0.00 H ATOM 65 N GLY A 6 0.427 -3.104 3.844 1.00 0.00 N ATOM 66 CA GLY A 6 1.158 -4.336 3.705 1.00 0.00 C ATOM 67 C GLY A 6 0.660 -5.102 2.516 1.00 0.00 C ATOM 68 O GLY A 6 0.686 -6.330 2.490 1.00 0.00 O ATOM 69 H GLY A 6 -0.375 -2.948 3.295 1.00 0.00 H ATOM 70 HA2 GLY A 6 2.201 -4.111 3.569 1.00 0.00 H ATOM 71 HA3 GLY A 6 1.029 -4.934 4.594 1.00 0.00 H ATOM 72 N GLY A 7 0.180 -4.364 1.521 1.00 0.00 N ATOM 73 CA GLY A 7 -0.348 -4.998 0.346 1.00 0.00 C ATOM 74 C GLY A 7 -1.685 -5.613 0.651 1.00 0.00 C ATOM 75 O GLY A 7 -2.000 -6.697 0.158 1.00 0.00 O ATOM 76 H GLY A 7 0.164 -3.382 1.599 1.00 0.00 H ATOM 77 HA2 GLY A 7 -0.460 -4.262 -0.438 1.00 0.00 H ATOM 78 HA3 GLY A 7 0.331 -5.771 0.020 1.00 0.00 H ATOM 79 N CYS A 8 -2.446 -4.899 1.486 1.00 0.00 N ATOM 80 CA CYS A 8 -3.770 -5.321 1.925 1.00 0.00 C ATOM 81 C CYS A 8 -4.607 -5.746 0.715 1.00 0.00 C ATOM 82 O CYS A 8 -4.984 -6.908 0.584 1.00 0.00 O ATOM 83 CB CYS A 8 -4.444 -4.165 2.703 1.00 0.00 C ATOM 84 SG CYS A 8 -3.312 -3.261 3.842 1.00 0.00 S ATOM 85 H CYS A 8 -2.090 -4.054 1.833 1.00 0.00 H ATOM 86 HA CYS A 8 -3.650 -6.167 2.580 1.00 0.00 H ATOM 87 HB2 CYS A 8 -4.840 -3.449 1.998 1.00 0.00 H ATOM 88 HB3 CYS A 8 -5.254 -4.564 3.294 1.00 0.00 H ATOM 89 N SER A 9 -4.856 -4.808 -0.184 1.00 0.00 N ATOM 90 CA SER A 9 -5.602 -5.095 -1.405 1.00 0.00 C ATOM 91 C SER A 9 -4.645 -5.310 -2.589 1.00 0.00 C ATOM 92 O SER A 9 -4.861 -6.179 -3.429 1.00 0.00 O ATOM 93 CB SER A 9 -6.597 -3.970 -1.702 1.00 0.00 C ATOM 94 OG SER A 9 -7.402 -3.697 -0.564 1.00 0.00 O ATOM 95 H SER A 9 -4.504 -3.913 -0.038 1.00 0.00 H ATOM 96 HA SER A 9 -6.151 -6.010 -1.240 1.00 0.00 H ATOM 97 HB2 SER A 9 -6.058 -3.074 -1.971 1.00 0.00 H ATOM 98 HB3 SER A 9 -7.238 -4.265 -2.520 1.00 0.00 H ATOM 99 HG SER A 9 -7.475 -4.497 -0.030 1.00 0.00 H ATOM 100 N SER A 10 -3.584 -4.502 -2.648 1.00 0.00 N ATOM 101 CA SER A 10 -2.598 -4.590 -3.723 1.00 0.00 C ATOM 102 C SER A 10 -1.194 -4.329 -3.173 1.00 0.00 C ATOM 103 O SER A 10 -1.036 -3.679 -2.141 1.00 0.00 O ATOM 104 CB SER A 10 -2.923 -3.593 -4.833 1.00 0.00 C ATOM 105 OG SER A 10 -4.286 -3.682 -5.212 1.00 0.00 O ATOM 106 H SER A 10 -3.464 -3.826 -1.956 1.00 0.00 H ATOM 107 HA SER A 10 -2.634 -5.592 -4.124 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.719 -2.594 -4.486 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.308 -3.806 -5.695 1.00 0.00 H ATOM 110 HG SER A 10 -4.627 -4.556 -4.989 1.00 0.00 H ATOM 111 N LYS A 11 -0.185 -4.868 -3.848 1.00 0.00 N ATOM 112 CA LYS A 11 1.204 -4.734 -3.414 1.00 0.00 C ATOM 113 C LYS A 11 1.804 -3.382 -3.753 1.00 0.00 C ATOM 114 O LYS A 11 2.640 -2.888 -3.003 1.00 0.00 O ATOM 115 CB LYS A 11 2.061 -5.865 -3.971 1.00 0.00 C ATOM 116 CG LYS A 11 1.874 -7.163 -3.206 1.00 0.00 C ATOM 117 CD LYS A 11 0.495 -7.757 -3.458 1.00 0.00 C ATOM 118 CE LYS A 11 0.203 -8.955 -2.559 1.00 0.00 C ATOM 119 NZ LYS A 11 -0.037 -8.562 -1.138 1.00 0.00 N ATOM 120 H LYS A 11 -0.378 -5.388 -4.647 1.00 0.00 H ATOM 121 HA LYS A 11 1.199 -4.824 -2.338 1.00 0.00 H ATOM 122 HB2 LYS A 11 1.793 -6.033 -5.004 1.00 0.00 H ATOM 123 HB3 LYS A 11 3.098 -5.581 -3.915 1.00 0.00 H ATOM 124 HG2 LYS A 11 2.629 -7.867 -3.519 1.00 0.00 H ATOM 125 HG3 LYS A 11 1.983 -6.955 -2.150 1.00 0.00 H ATOM 126 HD2 LYS A 11 -0.246 -6.992 -3.276 1.00 0.00 H ATOM 127 HD3 LYS A 11 0.439 -8.068 -4.492 1.00 0.00 H ATOM 128 HE2 LYS A 11 -0.675 -9.461 -2.933 1.00 0.00 H ATOM 129 HE3 LYS A 11 1.046 -9.630 -2.599 1.00 0.00 H ATOM 130 HZ1 LYS A 11 0.802 -8.091 -0.748 1.00 0.00 H ATOM 131 HZ2 LYS A 11 -0.242 -9.405 -0.564 1.00 0.00 H ATOM 132 HZ3 LYS A 11 -0.851 -7.913 -1.074 1.00 0.00 H ATOM 133 N TRP A 12 1.353 -2.771 -4.849 1.00 0.00 N ATOM 134 CA TRP A 12 1.830 -1.438 -5.238 1.00 0.00 C ATOM 135 C TRP A 12 1.720 -0.529 -4.042 1.00 0.00 C ATOM 136 O TRP A 12 2.545 0.343 -3.792 1.00 0.00 O ATOM 137 CB TRP A 12 0.964 -0.892 -6.399 1.00 0.00 C ATOM 138 CG TRP A 12 1.005 0.609 -6.591 1.00 0.00 C ATOM 139 CD1 TRP A 12 1.690 1.302 -7.539 1.00 0.00 C ATOM 140 CD2 TRP A 12 0.323 1.589 -5.801 1.00 0.00 C ATOM 141 NE1 TRP A 12 1.465 2.660 -7.389 1.00 0.00 N ATOM 142 CE2 TRP A 12 0.627 2.856 -6.313 1.00 0.00 C ATOM 143 CE3 TRP A 12 -0.512 1.493 -4.708 1.00 0.00 C ATOM 144 CZ2 TRP A 12 0.106 4.032 -5.743 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -1.025 2.635 -4.134 1.00 0.00 C ATOM 146 CH2 TRP A 12 -0.722 3.894 -4.646 1.00 0.00 C ATOM 147 H TRP A 12 0.664 -3.205 -5.390 1.00 0.00 H ATOM 148 HA TRP A 12 2.851 -1.506 -5.535 1.00 0.00 H ATOM 149 HB2 TRP A 12 1.291 -1.344 -7.317 1.00 0.00 H ATOM 150 HB3 TRP A 12 -0.065 -1.172 -6.222 1.00 0.00 H ATOM 151 HD1 TRP A 12 2.306 0.838 -8.293 1.00 0.00 H ATOM 152 HE1 TRP A 12 1.845 3.363 -7.955 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.740 0.522 -4.291 1.00 0.00 H ATOM 154 HZ2 TRP A 12 0.337 5.011 -6.136 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -1.674 2.560 -3.275 1.00 0.00 H ATOM 156 HH2 TRP A 12 -1.144 4.764 -4.143 1.00 0.00 H ATOM 157 N CYS A 13 0.646 -0.759 -3.340 1.00 0.00 N ATOM 158 CA CYS A 13 0.274 -0.016 -2.177 1.00 0.00 C ATOM 159 C CYS A 13 1.284 -0.090 -1.041 1.00 0.00 C ATOM 160 O CYS A 13 1.552 0.914 -0.385 1.00 0.00 O ATOM 161 CB CYS A 13 -1.063 -0.559 -1.732 1.00 0.00 C ATOM 162 SG CYS A 13 -2.316 -0.583 -3.048 1.00 0.00 S ATOM 163 H CYS A 13 0.043 -1.464 -3.645 1.00 0.00 H ATOM 164 HA CYS A 13 0.145 1.014 -2.465 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.934 -1.572 -1.380 1.00 0.00 H ATOM 166 HB3 CYS A 13 -1.443 0.052 -0.926 1.00 0.00 H ATOM 167 N ARG A 14 1.839 -1.262 -0.790 1.00 0.00 N ATOM 168 CA ARG A 14 2.796 -1.395 0.307 1.00 0.00 C ATOM 169 C ARG A 14 4.134 -0.805 -0.055 1.00 0.00 C ATOM 170 O ARG A 14 4.961 -0.534 0.809 1.00 0.00 O ATOM 171 CB ARG A 14 2.959 -2.845 0.744 1.00 0.00 C ATOM 172 CG ARG A 14 3.548 -3.777 -0.300 1.00 0.00 C ATOM 173 CD ARG A 14 4.896 -4.315 0.143 1.00 0.00 C ATOM 174 NE ARG A 14 5.965 -3.342 -0.049 1.00 0.00 N ATOM 175 CZ ARG A 14 7.183 -3.463 0.478 1.00 0.00 C ATOM 176 NH1 ARG A 14 7.416 -4.405 1.385 1.00 0.00 N ATOM 177 NH2 ARG A 14 8.155 -2.629 0.130 1.00 0.00 N ATOM 178 H ARG A 14 1.606 -2.044 -1.348 1.00 0.00 H ATOM 179 HA ARG A 14 2.401 -0.835 1.142 1.00 0.00 H ATOM 180 HB2 ARG A 14 3.598 -2.869 1.611 1.00 0.00 H ATOM 181 HB3 ARG A 14 1.995 -3.218 1.017 1.00 0.00 H ATOM 182 HG2 ARG A 14 2.873 -4.606 -0.453 1.00 0.00 H ATOM 183 HG3 ARG A 14 3.673 -3.234 -1.226 1.00 0.00 H ATOM 184 HD2 ARG A 14 4.839 -4.568 1.190 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.122 -5.202 -0.429 1.00 0.00 H ATOM 186 HE ARG A 14 5.775 -2.581 -0.646 1.00 0.00 H ATOM 187 HH11 ARG A 14 6.677 -5.015 1.672 1.00 0.00 H ATOM 188 HH12 ARG A 14 8.328 -4.506 1.784 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.985 -1.889 -0.551 1.00 0.00 H ATOM 190 HH22 ARG A 14 9.066 -2.720 0.527 1.00 0.00 H ATOM 191 N ASP A 15 4.342 -0.616 -1.335 1.00 0.00 N ATOM 192 CA ASP A 15 5.587 -0.061 -1.811 1.00 0.00 C ATOM 193 C ASP A 15 5.353 1.331 -2.372 1.00 0.00 C ATOM 194 O ASP A 15 6.066 1.789 -3.261 1.00 0.00 O ATOM 195 CB ASP A 15 6.198 -0.978 -2.869 1.00 0.00 C ATOM 196 CG ASP A 15 7.705 -0.843 -2.937 1.00 0.00 C ATOM 197 OD1 ASP A 15 8.354 -1.017 -1.880 1.00 0.00 O ATOM 198 OD2 ASP A 15 8.237 -0.595 -4.034 1.00 0.00 O ATOM 199 H ASP A 15 3.641 -0.852 -1.976 1.00 0.00 H ATOM 200 HA ASP A 15 6.260 0.009 -0.971 1.00 0.00 H ATOM 201 HB2 ASP A 15 5.957 -2.004 -2.631 1.00 0.00 H ATOM 202 HB3 ASP A 15 5.785 -0.729 -3.835 1.00 0.00 H ATOM 203 N HIS A 16 4.335 2.015 -1.857 1.00 0.00 N ATOM 204 CA HIS A 16 4.050 3.346 -2.348 1.00 0.00 C ATOM 205 C HIS A 16 3.415 4.262 -1.310 1.00 0.00 C ATOM 206 O HIS A 16 3.615 5.476 -1.388 1.00 0.00 O ATOM 207 CB HIS A 16 3.155 3.296 -3.584 1.00 0.00 C ATOM 208 CG HIS A 16 3.392 4.436 -4.525 1.00 0.00 C ATOM 209 ND1 HIS A 16 3.193 5.757 -4.178 1.00 0.00 N ATOM 210 CD2 HIS A 16 3.822 4.447 -5.808 1.00 0.00 C ATOM 211 CE1 HIS A 16 3.486 6.529 -5.206 1.00 0.00 C ATOM 212 NE2 HIS A 16 3.871 5.760 -6.208 1.00 0.00 N ATOM 213 H HIS A 16 3.778 1.615 -1.158 1.00 0.00 H ATOM 214 HA HIS A 16 4.990 3.781 -2.637 1.00 0.00 H ATOM 215 HB2 HIS A 16 3.332 2.378 -4.120 1.00 0.00 H ATOM 216 HB3 HIS A 16 2.121 3.333 -3.273 1.00 0.00 H ATOM 217 HD1 HIS A 16 2.899 6.080 -3.297 1.00 0.00 H ATOM 218 HD2 HIS A 16 4.078 3.584 -6.406 1.00 0.00 H ATOM 219 HE1 HIS A 16 3.424 7.607 -5.225 1.00 0.00 H ATOM 220 N ALA A 17 2.626 3.737 -0.366 1.00 0.00 N ATOM 221 CA ALA A 17 1.988 4.651 0.599 1.00 0.00 C ATOM 222 C ALA A 17 1.346 3.992 1.793 1.00 0.00 C ATOM 223 O ALA A 17 1.374 2.780 1.961 1.00 0.00 O ATOM 224 CB ALA A 17 0.951 5.513 -0.112 1.00 0.00 C ATOM 225 H ALA A 17 2.455 2.753 -0.334 1.00 0.00 H ATOM 226 HA ALA A 17 2.735 5.308 0.974 1.00 0.00 H ATOM 227 HB1 ALA A 17 1.303 5.755 -1.104 1.00 0.00 H ATOM 228 HB2 ALA A 17 0.795 6.423 0.447 1.00 0.00 H ATOM 229 HB3 ALA A 17 0.020 4.970 -0.184 1.00 0.00 H ATOM 230 N ARG A 18 0.769 4.854 2.625 1.00 0.00 N ATOM 231 CA ARG A 18 0.068 4.455 3.831 1.00 0.00 C ATOM 232 C ARG A 18 -1.452 4.489 3.613 1.00 0.00 C ATOM 233 O ARG A 18 -2.208 4.728 4.552 1.00 0.00 O ATOM 234 CB ARG A 18 0.485 5.348 5.016 1.00 0.00 C ATOM 235 CG ARG A 18 0.413 6.851 4.746 1.00 0.00 C ATOM 236 CD ARG A 18 -0.995 7.399 4.928 1.00 0.00 C ATOM 237 NE ARG A 18 -1.077 8.833 4.649 1.00 0.00 N ATOM 238 CZ ARG A 18 -2.212 9.533 4.699 1.00 0.00 C ATOM 239 NH1 ARG A 18 -3.355 8.928 5.009 1.00 0.00 N ATOM 240 NH2 ARG A 18 -2.202 10.837 4.439 1.00 0.00 N ATOM 241 H ARG A 18 0.811 5.806 2.403 1.00 0.00 H ATOM 242 HA ARG A 18 0.356 3.437 4.049 1.00 0.00 H ATOM 243 HB2 ARG A 18 -0.159 5.130 5.854 1.00 0.00 H ATOM 244 HB3 ARG A 18 1.502 5.104 5.288 1.00 0.00 H ATOM 245 HG2 ARG A 18 1.075 7.360 5.430 1.00 0.00 H ATOM 246 HG3 ARG A 18 0.733 7.037 3.731 1.00 0.00 H ATOM 247 HD2 ARG A 18 -1.659 6.875 4.257 1.00 0.00 H ATOM 248 HD3 ARG A 18 -1.305 7.222 5.947 1.00 0.00 H ATOM 249 HE ARG A 18 -0.241 9.294 4.417 1.00 0.00 H ATOM 250 HH11 ARG A 18 -3.368 7.944 5.206 1.00 0.00 H ATOM 251 HH12 ARG A 18 -4.210 9.450 5.049 1.00 0.00 H ATOM 252 HH21 ARG A 18 -1.344 11.299 4.205 1.00 0.00 H ATOM 253 HH22 ARG A 18 -3.053 11.366 4.476 1.00 0.00 H ATOM 254 N CYS A 19 -1.899 4.268 2.368 1.00 0.00 N ATOM 255 CA CYS A 19 -3.335 4.292 2.048 1.00 0.00 C ATOM 256 C CYS A 19 -4.105 3.283 2.911 1.00 0.00 C ATOM 257 O CYS A 19 -5.304 3.429 3.131 1.00 0.00 O ATOM 258 CB CYS A 19 -3.613 3.973 0.575 1.00 0.00 C ATOM 259 SG CYS A 19 -2.213 4.238 -0.545 1.00 0.00 S ATOM 260 H CYS A 19 -1.253 4.099 1.651 1.00 0.00 H ATOM 261 HA CYS A 19 -3.692 5.286 2.244 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.901 2.937 0.491 1.00 0.00 H ATOM 263 HB3 CYS A 19 -4.429 4.593 0.232 1.00 0.00 H ATOM 264 N CYS A 20 -3.403 2.250 3.385 1.00 0.00 N ATOM 265 CA CYS A 20 -4.034 1.204 4.221 1.00 0.00 C ATOM 266 C CYS A 20 -3.661 1.382 5.688 1.00 0.00 C ATOM 267 O CYS A 20 -4.369 0.917 6.578 1.00 0.00 O ATOM 268 CB CYS A 20 -3.628 -0.197 3.720 1.00 0.00 C ATOM 269 SG CYS A 20 -4.356 -1.652 4.574 1.00 0.00 S ATOM 270 H CYS A 20 -2.427 2.192 3.170 1.00 0.00 H ATOM 271 HA CYS A 20 -5.104 1.312 4.125 1.00 0.00 H ATOM 272 HB2 CYS A 20 -3.904 -0.278 2.681 1.00 0.00 H ATOM 273 HB3 CYS A 20 -2.553 -0.285 3.796 1.00 0.00 H HETATM 274 N NH2 A 21 -2.550 2.060 5.940 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -1.737 1.820 5.447 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -2.586 2.772 6.611 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 12 HETATM 1 N PCA A 1 -9.381 -3.601 -1.981 1.00 0.00 N HETATM 2 CA PCA A 1 -9.355 -2.175 -1.550 1.00 0.00 C HETATM 3 CB PCA A 1 -10.356 -1.501 -2.514 1.00 0.00 C HETATM 4 CG PCA A 1 -10.890 -2.599 -3.430 1.00 0.00 C HETATM 5 CD PCA A 1 -10.190 -3.863 -2.983 1.00 0.00 C HETATM 6 OE PCA A 1 -10.366 -4.962 -3.488 1.00 0.00 O HETATM 7 C PCA A 1 -8.046 -1.512 -1.247 1.00 0.00 C HETATM 8 O PCA A 1 -7.110 -1.603 -2.038 1.00 0.00 O HETATM 9 H1 PCA A 1 -8.450 -4.041 -1.808 1.00 0.00 H HETATM 10 H2 PCA A 1 -9.600 -3.669 -2.995 1.00 0.00 H HETATM 11 H3 PCA A 1 -10.103 -4.124 -1.449 1.00 0.00 H HETATM 12 HA PCA A 1 -9.861 -2.184 -0.596 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.854 -0.747 -3.104 1.00 0.00 H HETATM 14 HB3 PCA A 1 -11.171 -1.060 -1.958 1.00 0.00 H HETATM 15 HG2 PCA A 1 -11.960 -2.702 -3.305 1.00 0.00 H HETATM 16 HG3 PCA A 1 -10.642 -2.381 -4.460 1.00 0.00 H ATOM 17 N ASN A 2 -7.962 -0.863 -0.092 1.00 0.00 N ATOM 18 CA ASN A 2 -6.732 -0.201 0.328 1.00 0.00 C ATOM 19 C ASN A 2 -5.631 -1.244 0.500 1.00 0.00 C ATOM 20 O ASN A 2 -5.643 -2.023 1.438 1.00 0.00 O ATOM 21 CB ASN A 2 -6.960 0.580 1.635 1.00 0.00 C ATOM 22 CG ASN A 2 -7.600 -0.259 2.732 1.00 0.00 C ATOM 23 OD1 ASN A 2 -8.678 -0.828 2.545 1.00 0.00 O ATOM 24 ND2 ASN A 2 -6.948 -0.332 3.883 1.00 0.00 N ATOM 25 H ASN A 2 -8.740 -0.843 0.510 1.00 0.00 H ATOM 26 HA ASN A 2 -6.443 0.487 -0.452 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.009 0.940 1.999 1.00 0.00 H ATOM 28 HB3 ASN A 2 -7.603 1.425 1.433 1.00 0.00 H ATOM 29 HD21 ASN A 2 -6.102 0.152 3.969 1.00 0.00 H ATOM 30 HD22 ASN A 2 -7.334 -0.876 4.599 1.00 0.00 H ATOM 31 N CYS A 3 -4.722 -1.302 -0.460 1.00 0.00 N ATOM 32 CA CYS A 3 -3.643 -2.287 -0.454 1.00 0.00 C ATOM 33 C CYS A 3 -2.280 -1.732 0.001 1.00 0.00 C ATOM 34 O CYS A 3 -1.430 -2.459 0.520 1.00 0.00 O ATOM 35 CB CYS A 3 -3.529 -2.876 -1.851 1.00 0.00 C ATOM 36 SG CYS A 3 -3.625 -1.651 -3.186 1.00 0.00 S ATOM 37 H CYS A 3 -4.802 -0.690 -1.225 1.00 0.00 H ATOM 38 HA CYS A 3 -3.931 -3.076 0.222 1.00 0.00 H ATOM 39 HB2 CYS A 3 -2.581 -3.385 -1.943 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.328 -3.587 -1.999 1.00 0.00 H ATOM 41 N CYS A 4 -2.065 -0.467 -0.292 1.00 0.00 N ATOM 42 CA CYS A 4 -0.808 0.239 -0.042 1.00 0.00 C ATOM 43 C CYS A 4 -0.488 0.516 1.430 1.00 0.00 C ATOM 44 O CYS A 4 -0.572 1.653 1.887 1.00 0.00 O ATOM 45 CB CYS A 4 -0.846 1.558 -0.783 1.00 0.00 C ATOM 46 SG CYS A 4 -1.552 1.506 -2.452 1.00 0.00 S ATOM 47 H CYS A 4 -2.757 0.005 -0.756 1.00 0.00 H ATOM 48 HA CYS A 4 -0.013 -0.357 -0.458 1.00 0.00 H ATOM 49 HB2 CYS A 4 -1.433 2.260 -0.211 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.163 1.936 -0.869 1.00 0.00 H ATOM 51 N ASN A 5 -0.090 -0.508 2.145 1.00 0.00 N ATOM 52 CA ASN A 5 0.299 -0.387 3.550 1.00 0.00 C ATOM 53 C ASN A 5 1.290 -1.488 3.810 1.00 0.00 C ATOM 54 O ASN A 5 2.340 -1.299 4.417 1.00 0.00 O ATOM 55 CB ASN A 5 -0.907 -0.522 4.490 1.00 0.00 C ATOM 56 CG ASN A 5 -0.578 -0.259 5.952 1.00 0.00 C ATOM 57 OD1 ASN A 5 0.316 -0.871 6.528 1.00 0.00 O ATOM 58 ND2 ASN A 5 -1.329 0.642 6.570 1.00 0.00 N ATOM 59 H ASN A 5 -0.017 -1.380 1.712 1.00 0.00 H ATOM 60 HA ASN A 5 0.777 0.571 3.694 1.00 0.00 H ATOM 61 HB2 ASN A 5 -1.664 0.185 4.187 1.00 0.00 H ATOM 62 HB3 ASN A 5 -1.310 -1.522 4.406 1.00 0.00 H ATOM 63 HD21 ASN A 5 -2.045 1.081 6.060 1.00 0.00 H ATOM 64 HD22 ASN A 5 -1.142 0.828 7.511 1.00 0.00 H ATOM 65 N GLY A 6 0.937 -2.644 3.288 1.00 0.00 N ATOM 66 CA GLY A 6 1.780 -3.802 3.413 1.00 0.00 C ATOM 67 C GLY A 6 1.321 -4.905 2.506 1.00 0.00 C ATOM 68 O GLY A 6 1.487 -6.083 2.808 1.00 0.00 O ATOM 69 H GLY A 6 0.087 -2.701 2.791 1.00 0.00 H ATOM 70 HA2 GLY A 6 2.786 -3.531 3.148 1.00 0.00 H ATOM 71 HA3 GLY A 6 1.761 -4.152 4.434 1.00 0.00 H ATOM 72 N GLY A 7 0.737 -4.515 1.380 1.00 0.00 N ATOM 73 CA GLY A 7 0.249 -5.492 0.444 1.00 0.00 C ATOM 74 C GLY A 7 -1.092 -6.016 0.875 1.00 0.00 C ATOM 75 O GLY A 7 -1.400 -7.184 0.671 1.00 0.00 O ATOM 76 H GLY A 7 0.626 -3.556 1.191 1.00 0.00 H ATOM 77 HA2 GLY A 7 0.159 -5.034 -0.531 1.00 0.00 H ATOM 78 HA3 GLY A 7 0.948 -6.313 0.389 1.00 0.00 H ATOM 79 N CYS A 8 -1.879 -5.125 1.481 1.00 0.00 N ATOM 80 CA CYS A 8 -3.211 -5.461 1.969 1.00 0.00 C ATOM 81 C CYS A 8 -3.995 -6.181 0.862 1.00 0.00 C ATOM 82 O CYS A 8 -4.369 -7.342 1.002 1.00 0.00 O ATOM 83 CB CYS A 8 -3.934 -4.174 2.429 1.00 0.00 C ATOM 84 SG CYS A 8 -2.845 -2.960 3.283 1.00 0.00 S ATOM 85 H CYS A 8 -1.544 -4.213 1.611 1.00 0.00 H ATOM 86 HA CYS A 8 -3.101 -6.128 2.809 1.00 0.00 H ATOM 87 HB2 CYS A 8 -4.359 -3.682 1.567 1.00 0.00 H ATOM 88 HB3 CYS A 8 -4.727 -4.441 3.110 1.00 0.00 H ATOM 89 N SER A 9 -4.201 -5.491 -0.252 1.00 0.00 N ATOM 90 CA SER A 9 -4.885 -6.071 -1.405 1.00 0.00 C ATOM 91 C SER A 9 -3.890 -6.502 -2.505 1.00 0.00 C ATOM 92 O SER A 9 -4.142 -7.459 -3.233 1.00 0.00 O ATOM 93 CB SER A 9 -5.924 -5.096 -1.972 1.00 0.00 C ATOM 94 OG SER A 9 -6.888 -4.745 -0.987 1.00 0.00 O ATOM 95 H SER A 9 -3.853 -4.587 -0.310 1.00 0.00 H ATOM 96 HA SER A 9 -5.401 -6.953 -1.057 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.426 -4.197 -2.306 1.00 0.00 H ATOM 98 HB3 SER A 9 -6.431 -5.558 -2.806 1.00 0.00 H ATOM 99 HG SER A 9 -6.728 -5.267 -0.189 1.00 0.00 H ATOM 100 N SER A 10 -2.777 -5.764 -2.649 1.00 0.00 N ATOM 101 CA SER A 10 -1.782 -6.057 -3.690 1.00 0.00 C ATOM 102 C SER A 10 -0.368 -5.604 -3.284 1.00 0.00 C ATOM 103 O SER A 10 -0.200 -4.767 -2.394 1.00 0.00 O ATOM 104 CB SER A 10 -2.179 -5.381 -5.004 1.00 0.00 C ATOM 105 OG SER A 10 -3.495 -5.740 -5.386 1.00 0.00 O ATOM 106 H SER A 10 -2.633 -4.999 -2.065 1.00 0.00 H ATOM 107 HA SER A 10 -1.771 -7.127 -3.841 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.131 -4.311 -4.882 1.00 0.00 H ATOM 109 HB3 SER A 10 -1.495 -5.685 -5.783 1.00 0.00 H ATOM 110 HG SER A 10 -3.769 -6.526 -4.894 1.00 0.00 H ATOM 111 N LYS A 11 0.635 -6.193 -3.942 1.00 0.00 N ATOM 112 CA LYS A 11 2.050 -5.926 -3.681 1.00 0.00 C ATOM 113 C LYS A 11 2.505 -4.529 -4.117 1.00 0.00 C ATOM 114 O LYS A 11 3.144 -3.835 -3.332 1.00 0.00 O ATOM 115 CB LYS A 11 2.901 -6.987 -4.383 1.00 0.00 C ATOM 116 CG LYS A 11 4.391 -6.851 -4.124 1.00 0.00 C ATOM 117 CD LYS A 11 5.187 -7.898 -4.884 1.00 0.00 C ATOM 118 CE LYS A 11 4.929 -9.301 -4.354 1.00 0.00 C ATOM 119 NZ LYS A 11 5.711 -10.330 -5.097 1.00 0.00 N ATOM 120 H LYS A 11 0.415 -6.851 -4.619 1.00 0.00 H ATOM 121 HA LYS A 11 2.205 -6.017 -2.618 1.00 0.00 H ATOM 122 HB2 LYS A 11 2.588 -7.964 -4.045 1.00 0.00 H ATOM 123 HB3 LYS A 11 2.736 -6.915 -5.447 1.00 0.00 H ATOM 124 HG2 LYS A 11 4.713 -5.870 -4.439 1.00 0.00 H ATOM 125 HG3 LYS A 11 4.575 -6.970 -3.066 1.00 0.00 H ATOM 126 HD2 LYS A 11 4.906 -7.863 -5.926 1.00 0.00 H ATOM 127 HD3 LYS A 11 6.235 -7.674 -4.787 1.00 0.00 H ATOM 128 HE2 LYS A 11 5.207 -9.335 -3.311 1.00 0.00 H ATOM 129 HE3 LYS A 11 3.876 -9.521 -4.453 1.00 0.00 H ATOM 130 HZ1 LYS A 11 5.067 -10.982 -5.588 1.00 0.00 H ATOM 131 HZ2 LYS A 11 6.302 -10.876 -4.437 1.00 0.00 H ATOM 132 HZ3 LYS A 11 6.327 -9.873 -5.799 1.00 0.00 H ATOM 133 N TRP A 12 2.190 -4.127 -5.361 1.00 0.00 N ATOM 134 CA TRP A 12 2.592 -2.802 -5.881 1.00 0.00 C ATOM 135 C TRP A 12 2.290 -1.725 -4.869 1.00 0.00 C ATOM 136 O TRP A 12 3.043 -0.773 -4.684 1.00 0.00 O ATOM 137 CB TRP A 12 1.866 -2.487 -7.216 1.00 0.00 C ATOM 138 CG TRP A 12 1.837 -1.014 -7.587 1.00 0.00 C ATOM 139 CD1 TRP A 12 2.658 -0.342 -8.450 1.00 0.00 C ATOM 140 CD2 TRP A 12 0.932 -0.036 -7.068 1.00 0.00 C ATOM 141 NE1 TRP A 12 2.304 0.995 -8.493 1.00 0.00 N ATOM 142 CE2 TRP A 12 1.245 1.203 -7.640 1.00 0.00 C ATOM 143 CE3 TRP A 12 -0.110 -0.114 -6.165 1.00 0.00 C ATOM 144 CZ2 TRP A 12 0.533 2.371 -7.322 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -0.815 1.027 -5.838 1.00 0.00 C ATOM 146 CH2 TRP A 12 -0.496 2.259 -6.412 1.00 0.00 C ATOM 147 H TRP A 12 1.686 -4.730 -5.941 1.00 0.00 H ATOM 148 HA TRP A 12 3.642 -2.816 -6.048 1.00 0.00 H ATOM 149 HB2 TRP A 12 2.358 -3.015 -8.015 1.00 0.00 H ATOM 150 HB3 TRP A 12 0.844 -2.830 -7.146 1.00 0.00 H ATOM 151 HD1 TRP A 12 3.456 -0.800 -9.014 1.00 0.00 H ATOM 152 HE1 TRP A 12 2.740 1.681 -9.039 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.355 -1.063 -5.708 1.00 0.00 H ATOM 154 HZ2 TRP A 12 0.774 3.326 -7.763 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -1.626 0.973 -5.128 1.00 0.00 H ATOM 156 HH2 TRP A 12 -1.073 3.133 -6.108 1.00 0.00 H ATOM 157 N CYS A 13 1.157 -1.891 -4.252 1.00 0.00 N ATOM 158 CA CYS A 13 0.651 -0.968 -3.281 1.00 0.00 C ATOM 159 C CYS A 13 1.586 -0.742 -2.102 1.00 0.00 C ATOM 160 O CYS A 13 1.740 0.383 -1.641 1.00 0.00 O ATOM 161 CB CYS A 13 -0.670 -1.512 -2.792 1.00 0.00 C ATOM 162 SG CYS A 13 -1.850 -1.908 -4.113 1.00 0.00 S ATOM 163 H CYS A 13 0.611 -2.668 -4.483 1.00 0.00 H ATOM 164 HA CYS A 13 0.472 -0.027 -3.775 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.492 -2.417 -2.231 1.00 0.00 H ATOM 166 HB3 CYS A 13 -1.133 -0.781 -2.146 1.00 0.00 H ATOM 167 N ARG A 14 2.181 -1.800 -1.589 1.00 0.00 N ATOM 168 CA ARG A 14 3.053 -1.663 -0.419 1.00 0.00 C ATOM 169 C ARG A 14 4.384 -1.004 -0.740 1.00 0.00 C ATOM 170 O ARG A 14 5.017 -0.415 0.131 1.00 0.00 O ATOM 171 CB ARG A 14 3.303 -3.008 0.225 1.00 0.00 C ATOM 172 CG ARG A 14 4.286 -3.893 -0.514 1.00 0.00 C ATOM 173 CD ARG A 14 4.720 -5.028 0.377 1.00 0.00 C ATOM 174 NE ARG A 14 5.314 -4.528 1.618 1.00 0.00 N ATOM 175 CZ ARG A 14 5.272 -5.181 2.777 1.00 0.00 C ATOM 176 NH1 ARG A 14 4.543 -6.285 2.882 1.00 0.00 N ATOM 177 NH2 ARG A 14 5.910 -4.701 3.840 1.00 0.00 N ATOM 178 H ARG A 14 2.019 -2.695 -1.990 1.00 0.00 H ATOM 179 HA ARG A 14 2.538 -1.047 0.297 1.00 0.00 H ATOM 180 HB2 ARG A 14 3.681 -2.846 1.223 1.00 0.00 H ATOM 181 HB3 ARG A 14 2.362 -3.529 0.290 1.00 0.00 H ATOM 182 HG2 ARG A 14 3.811 -4.294 -1.397 1.00 0.00 H ATOM 183 HG3 ARG A 14 5.151 -3.309 -0.792 1.00 0.00 H ATOM 184 HD2 ARG A 14 3.857 -5.627 0.612 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.448 -5.629 -0.147 1.00 0.00 H ATOM 186 HE ARG A 14 5.790 -3.666 1.570 1.00 0.00 H ATOM 187 HH11 ARG A 14 4.023 -6.617 2.092 1.00 0.00 H ATOM 188 HH12 ARG A 14 4.503 -6.789 3.748 1.00 0.00 H ATOM 189 HH21 ARG A 14 6.425 -3.843 3.774 1.00 0.00 H ATOM 190 HH22 ARG A 14 5.878 -5.192 4.714 1.00 0.00 H ATOM 191 N ASP A 15 4.812 -1.150 -1.969 1.00 0.00 N ATOM 192 CA ASP A 15 6.089 -0.613 -2.409 1.00 0.00 C ATOM 193 C ASP A 15 5.940 0.767 -3.042 1.00 0.00 C ATOM 194 O ASP A 15 6.910 1.511 -3.175 1.00 0.00 O ATOM 195 CB ASP A 15 6.733 -1.620 -3.380 1.00 0.00 C ATOM 196 CG ASP A 15 7.757 -1.017 -4.322 1.00 0.00 C ATOM 197 OD1 ASP A 15 7.345 -0.464 -5.365 1.00 0.00 O ATOM 198 OD2 ASP A 15 8.964 -1.105 -4.028 1.00 0.00 O ATOM 199 H ASP A 15 4.267 -1.658 -2.600 1.00 0.00 H ATOM 200 HA ASP A 15 6.721 -0.522 -1.539 1.00 0.00 H ATOM 201 HB2 ASP A 15 7.222 -2.391 -2.808 1.00 0.00 H ATOM 202 HB3 ASP A 15 5.952 -2.071 -3.976 1.00 0.00 H ATOM 203 N HIS A 16 4.736 1.102 -3.476 1.00 0.00 N ATOM 204 CA HIS A 16 4.539 2.375 -4.144 1.00 0.00 C ATOM 205 C HIS A 16 3.652 3.395 -3.429 1.00 0.00 C ATOM 206 O HIS A 16 3.694 4.564 -3.815 1.00 0.00 O ATOM 207 CB HIS A 16 4.005 2.146 -5.553 1.00 0.00 C ATOM 208 CG HIS A 16 5.067 2.195 -6.610 1.00 0.00 C ATOM 209 ND1 HIS A 16 6.155 1.349 -6.645 1.00 0.00 N ATOM 210 CD2 HIS A 16 5.196 3.005 -7.685 1.00 0.00 C ATOM 211 CE1 HIS A 16 6.903 1.633 -7.689 1.00 0.00 C ATOM 212 NE2 HIS A 16 6.344 2.635 -8.340 1.00 0.00 N ATOM 213 H HIS A 16 3.991 0.473 -3.386 1.00 0.00 H ATOM 214 HA HIS A 16 5.516 2.818 -4.243 1.00 0.00 H ATOM 215 HB2 HIS A 16 3.532 1.176 -5.600 1.00 0.00 H ATOM 216 HB3 HIS A 16 3.274 2.908 -5.781 1.00 0.00 H ATOM 217 HD1 HIS A 16 6.373 0.639 -5.976 1.00 0.00 H ATOM 218 HD2 HIS A 16 4.523 3.801 -7.970 1.00 0.00 H ATOM 219 HE1 HIS A 16 7.817 1.130 -7.968 1.00 0.00 H ATOM 220 N ALA A 17 2.828 3.031 -2.440 1.00 0.00 N ATOM 221 CA ALA A 17 1.983 4.079 -1.844 1.00 0.00 C ATOM 222 C ALA A 17 1.422 3.781 -0.473 1.00 0.00 C ATOM 223 O ALA A 17 1.525 2.678 0.049 1.00 0.00 O ATOM 224 CB ALA A 17 0.844 4.423 -2.792 1.00 0.00 C ATOM 225 H ALA A 17 2.767 2.084 -2.135 1.00 0.00 H ATOM 226 HA ALA A 17 2.579 4.957 -1.750 1.00 0.00 H ATOM 227 HB1 ALA A 17 -0.039 3.869 -2.509 1.00 0.00 H ATOM 228 HB2 ALA A 17 1.125 4.164 -3.802 1.00 0.00 H ATOM 229 HB3 ALA A 17 0.637 5.481 -2.735 1.00 0.00 H ATOM 230 N ARG A 18 0.819 4.826 0.094 1.00 0.00 N ATOM 231 CA ARG A 18 0.181 4.767 1.397 1.00 0.00 C ATOM 232 C ARG A 18 -1.348 4.672 1.266 1.00 0.00 C ATOM 233 O ARG A 18 -2.068 5.081 2.174 1.00 0.00 O ATOM 234 CB ARG A 18 0.592 5.980 2.253 1.00 0.00 C ATOM 235 CG ARG A 18 0.464 7.334 1.556 1.00 0.00 C ATOM 236 CD ARG A 18 -0.970 7.854 1.552 1.00 0.00 C ATOM 237 NE ARG A 18 -1.083 9.180 0.936 1.00 0.00 N ATOM 238 CZ ARG A 18 -0.635 10.314 1.491 1.00 0.00 C ATOM 239 NH1 ARG A 18 -0.094 10.300 2.707 1.00 0.00 N ATOM 240 NH2 ARG A 18 -0.749 11.465 0.835 1.00 0.00 N ATOM 241 H ARG A 18 0.791 5.669 -0.403 1.00 0.00 H ATOM 242 HA ARG A 18 0.533 3.870 1.884 1.00 0.00 H ATOM 243 HB2 ARG A 18 -0.026 6.001 3.138 1.00 0.00 H ATOM 244 HB3 ARG A 18 1.622 5.853 2.553 1.00 0.00 H ATOM 245 HG2 ARG A 18 1.090 8.049 2.068 1.00 0.00 H ATOM 246 HG3 ARG A 18 0.801 7.231 0.534 1.00 0.00 H ATOM 247 HD2 ARG A 18 -1.587 7.161 1.001 1.00 0.00 H ATOM 248 HD3 ARG A 18 -1.319 7.911 2.573 1.00 0.00 H ATOM 249 HE ARG A 18 -1.508 9.223 0.052 1.00 0.00 H ATOM 250 HH11 ARG A 18 -0.020 9.439 3.215 1.00 0.00 H ATOM 251 HH12 ARG A 18 0.242 11.148 3.121 1.00 0.00 H ATOM 252 HH21 ARG A 18 -1.171 11.489 -0.075 1.00 0.00 H ATOM 253 HH22 ARG A 18 -0.415 12.317 1.245 1.00 0.00 H ATOM 254 N CYS A 19 -1.844 4.156 0.132 1.00 0.00 N ATOM 255 CA CYS A 19 -3.296 4.040 -0.095 1.00 0.00 C ATOM 256 C CYS A 19 -3.969 3.221 1.013 1.00 0.00 C ATOM 257 O CYS A 19 -5.143 3.413 1.314 1.00 0.00 O ATOM 258 CB CYS A 19 -3.631 3.387 -1.443 1.00 0.00 C ATOM 259 SG CYS A 19 -2.281 3.381 -2.653 1.00 0.00 S ATOM 260 H CYS A 19 -1.226 3.862 -0.571 1.00 0.00 H ATOM 261 HA CYS A 19 -3.698 5.036 -0.099 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.915 2.360 -1.273 1.00 0.00 H ATOM 263 HB3 CYS A 19 -4.465 3.913 -1.886 1.00 0.00 H ATOM 264 N CYS A 20 -3.213 2.299 1.610 1.00 0.00 N ATOM 265 CA CYS A 20 -3.747 1.441 2.690 1.00 0.00 C ATOM 266 C CYS A 20 -3.244 1.923 4.048 1.00 0.00 C ATOM 267 O CYS A 20 -3.738 1.503 5.091 1.00 0.00 O ATOM 268 CB CYS A 20 -3.351 -0.032 2.448 1.00 0.00 C ATOM 269 SG CYS A 20 -3.979 -1.285 3.636 1.00 0.00 S ATOM 270 H CYS A 20 -2.262 2.200 1.322 1.00 0.00 H ATOM 271 HA CYS A 20 -4.824 1.523 2.672 1.00 0.00 H ATOM 272 HB2 CYS A 20 -3.707 -0.324 1.472 1.00 0.00 H ATOM 273 HB3 CYS A 20 -2.272 -0.098 2.452 1.00 0.00 H HETATM 274 N NH2 A 21 -2.260 2.810 4.033 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -1.378 2.520 3.715 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -2.455 3.721 4.336 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 13 HETATM 1 N PCA A 1 -10.076 1.402 3.564 1.00 0.00 N HETATM 2 CA PCA A 1 -9.363 2.336 2.647 1.00 0.00 C HETATM 3 CB PCA A 1 -10.085 2.120 1.298 1.00 0.00 C HETATM 4 CG PCA A 1 -11.173 1.079 1.543 1.00 0.00 C HETATM 5 CD PCA A 1 -11.049 0.715 3.007 1.00 0.00 C HETATM 6 OE PCA A 1 -11.766 -0.093 3.578 1.00 0.00 O HETATM 7 C PCA A 1 -7.866 2.439 2.683 1.00 0.00 C HETATM 8 O PCA A 1 -7.206 2.422 1.647 1.00 0.00 O HETATM 9 H1 PCA A 1 -11.004 1.144 3.172 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.217 1.846 4.491 1.00 0.00 H HETATM 11 H3 PCA A 1 -9.516 0.534 3.692 1.00 0.00 H HETATM 12 HA PCA A 1 -9.688 3.314 2.972 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.387 1.752 0.558 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.533 3.044 0.962 1.00 0.00 H HETATM 15 HG2 PCA A 1 -12.148 1.503 1.346 1.00 0.00 H HETATM 16 HG3 PCA A 1 -11.001 0.206 0.927 1.00 0.00 H ATOM 17 N ASN A 2 -7.320 2.535 3.887 1.00 0.00 N ATOM 18 CA ASN A 2 -5.880 2.628 4.079 1.00 0.00 C ATOM 19 C ASN A 2 -5.206 1.308 3.709 1.00 0.00 C ATOM 20 O ASN A 2 -5.259 0.333 4.449 1.00 0.00 O ATOM 21 CB ASN A 2 -5.569 3.019 5.529 1.00 0.00 C ATOM 22 CG ASN A 2 -6.330 2.186 6.551 1.00 0.00 C ATOM 23 OD1 ASN A 2 -7.565 2.136 6.538 1.00 0.00 O ATOM 24 ND2 ASN A 2 -5.601 1.531 7.439 1.00 0.00 N ATOM 25 H ASN A 2 -7.899 2.533 4.681 1.00 0.00 H ATOM 26 HA ASN A 2 -5.511 3.401 3.422 1.00 0.00 H ATOM 27 HB2 ASN A 2 -4.513 2.888 5.708 1.00 0.00 H ATOM 28 HB3 ASN A 2 -5.824 4.056 5.673 1.00 0.00 H ATOM 29 HD21 ASN A 2 -4.622 1.617 7.388 1.00 0.00 H ATOM 30 HD22 ASN A 2 -6.063 0.990 8.110 1.00 0.00 H ATOM 31 N CYS A 3 -4.622 1.276 2.522 1.00 0.00 N ATOM 32 CA CYS A 3 -3.974 0.075 2.005 1.00 0.00 C ATOM 33 C CYS A 3 -2.430 0.081 2.113 1.00 0.00 C ATOM 34 O CYS A 3 -1.799 -0.967 2.236 1.00 0.00 O ATOM 35 CB CYS A 3 -4.391 -0.103 0.544 1.00 0.00 C ATOM 36 SG CYS A 3 -3.725 -1.596 -0.245 1.00 0.00 S ATOM 37 H CYS A 3 -4.659 2.076 1.957 1.00 0.00 H ATOM 38 HA CYS A 3 -4.351 -0.764 2.568 1.00 0.00 H ATOM 39 HB2 CYS A 3 -5.468 -0.158 0.490 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.051 0.750 -0.025 1.00 0.00 H ATOM 41 N CYS A 4 -1.828 1.252 1.961 1.00 0.00 N ATOM 42 CA CYS A 4 -0.377 1.412 1.916 1.00 0.00 C ATOM 43 C CYS A 4 0.328 1.765 3.235 1.00 0.00 C ATOM 44 O CYS A 4 0.789 2.888 3.398 1.00 0.00 O ATOM 45 CB CYS A 4 -0.071 2.524 0.938 1.00 0.00 C ATOM 46 SG CYS A 4 -1.177 2.640 -0.493 1.00 0.00 S ATOM 47 H CYS A 4 -2.367 2.025 1.804 1.00 0.00 H ATOM 48 HA CYS A 4 0.046 0.501 1.528 1.00 0.00 H ATOM 49 HB2 CYS A 4 -0.123 3.468 1.459 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.931 2.388 0.564 1.00 0.00 H ATOM 51 N ASN A 5 0.462 0.821 4.142 1.00 0.00 N ATOM 52 CA ASN A 5 1.191 1.064 5.396 1.00 0.00 C ATOM 53 C ASN A 5 1.933 -0.203 5.697 1.00 0.00 C ATOM 54 O ASN A 5 2.315 -0.503 6.824 1.00 0.00 O ATOM 55 CB ASN A 5 0.281 1.433 6.568 1.00 0.00 C ATOM 56 CG ASN A 5 1.032 2.122 7.693 1.00 0.00 C ATOM 57 OD1 ASN A 5 1.595 3.199 7.505 1.00 0.00 O ATOM 58 ND2 ASN A 5 1.044 1.510 8.867 1.00 0.00 N ATOM 59 H ASN A 5 0.108 -0.073 3.963 1.00 0.00 H ATOM 60 HA ASN A 5 1.905 1.858 5.221 1.00 0.00 H ATOM 61 HB2 ASN A 5 -0.493 2.100 6.218 1.00 0.00 H ATOM 62 HB3 ASN A 5 -0.175 0.535 6.960 1.00 0.00 H ATOM 63 HD21 ASN A 5 0.574 0.655 8.948 1.00 0.00 H ATOM 64 HD22 ASN A 5 1.523 1.939 9.605 1.00 0.00 H ATOM 65 N GLY A 6 2.106 -0.949 4.630 1.00 0.00 N ATOM 66 CA GLY A 6 2.781 -2.214 4.700 1.00 0.00 C ATOM 67 C GLY A 6 1.983 -3.293 4.030 1.00 0.00 C ATOM 68 O GLY A 6 2.113 -4.467 4.355 1.00 0.00 O ATOM 69 H GLY A 6 1.752 -0.627 3.771 1.00 0.00 H ATOM 70 HA2 GLY A 6 3.726 -2.127 4.203 1.00 0.00 H ATOM 71 HA3 GLY A 6 2.941 -2.481 5.734 1.00 0.00 H ATOM 72 N GLY A 7 1.150 -2.888 3.078 1.00 0.00 N ATOM 73 CA GLY A 7 0.343 -3.847 2.377 1.00 0.00 C ATOM 74 C GLY A 7 -0.897 -4.186 3.153 1.00 0.00 C ATOM 75 O GLY A 7 -1.358 -5.321 3.118 1.00 0.00 O ATOM 76 H GLY A 7 1.082 -1.933 2.855 1.00 0.00 H ATOM 77 HA2 GLY A 7 0.060 -3.437 1.418 1.00 0.00 H ATOM 78 HA3 GLY A 7 0.917 -4.748 2.222 1.00 0.00 H ATOM 79 N CYS A 8 -1.427 -3.175 3.849 1.00 0.00 N ATOM 80 CA CYS A 8 -2.638 -3.326 4.651 1.00 0.00 C ATOM 81 C CYS A 8 -3.688 -4.102 3.852 1.00 0.00 C ATOM 82 O CYS A 8 -4.171 -5.145 4.287 1.00 0.00 O ATOM 83 CB CYS A 8 -3.185 -1.939 5.058 1.00 0.00 C ATOM 84 SG CYS A 8 -1.946 -0.826 5.830 1.00 0.00 S ATOM 85 H CYS A 8 -0.984 -2.304 3.822 1.00 0.00 H ATOM 86 HA CYS A 8 -2.387 -3.885 5.536 1.00 0.00 H ATOM 87 HB2 CYS A 8 -3.569 -1.441 4.181 1.00 0.00 H ATOM 88 HB3 CYS A 8 -3.986 -2.076 5.764 1.00 0.00 H ATOM 89 N SER A 9 -4.008 -3.598 2.668 1.00 0.00 N ATOM 90 CA SER A 9 -4.960 -4.261 1.790 1.00 0.00 C ATOM 91 C SER A 9 -4.254 -5.039 0.661 1.00 0.00 C ATOM 92 O SER A 9 -4.698 -6.121 0.277 1.00 0.00 O ATOM 93 CB SER A 9 -5.954 -3.248 1.222 1.00 0.00 C ATOM 94 OG SER A 9 -6.488 -2.436 2.256 1.00 0.00 O ATOM 95 H SER A 9 -3.572 -2.780 2.367 1.00 0.00 H ATOM 96 HA SER A 9 -5.506 -4.970 2.394 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.452 -2.616 0.504 1.00 0.00 H ATOM 98 HB3 SER A 9 -6.764 -3.773 0.737 1.00 0.00 H ATOM 99 HG SER A 9 -6.505 -2.940 3.076 1.00 0.00 H ATOM 100 N SER A 10 -3.175 -4.468 0.097 1.00 0.00 N ATOM 101 CA SER A 10 -2.458 -5.105 -1.015 1.00 0.00 C ATOM 102 C SER A 10 -0.975 -4.689 -1.096 1.00 0.00 C ATOM 103 O SER A 10 -0.542 -3.722 -0.465 1.00 0.00 O ATOM 104 CB SER A 10 -3.153 -4.776 -2.339 1.00 0.00 C ATOM 105 OG SER A 10 -4.481 -5.269 -2.357 1.00 0.00 O ATOM 106 H SER A 10 -2.878 -3.592 0.414 1.00 0.00 H ATOM 107 HA SER A 10 -2.504 -6.172 -0.861 1.00 0.00 H ATOM 108 HB2 SER A 10 -3.179 -3.705 -2.473 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.604 -5.227 -3.153 1.00 0.00 H ATOM 110 HG SER A 10 -4.680 -5.688 -1.508 1.00 0.00 H ATOM 111 N LYS A 11 -0.215 -5.462 -1.881 1.00 0.00 N ATOM 112 CA LYS A 11 1.226 -5.271 -2.090 1.00 0.00 C ATOM 113 C LYS A 11 1.569 -3.923 -2.723 1.00 0.00 C ATOM 114 O LYS A 11 2.417 -3.208 -2.203 1.00 0.00 O ATOM 115 CB LYS A 11 1.759 -6.397 -2.979 1.00 0.00 C ATOM 116 CG LYS A 11 3.267 -6.378 -3.184 1.00 0.00 C ATOM 117 CD LYS A 11 3.689 -7.454 -4.171 1.00 0.00 C ATOM 118 CE LYS A 11 5.194 -7.696 -4.151 1.00 0.00 C ATOM 119 NZ LYS A 11 5.959 -6.581 -4.773 1.00 0.00 N ATOM 120 H LYS A 11 -0.642 -6.208 -2.330 1.00 0.00 H ATOM 121 HA LYS A 11 1.710 -5.334 -1.128 1.00 0.00 H ATOM 122 HB2 LYS A 11 1.495 -7.344 -2.532 1.00 0.00 H ATOM 123 HB3 LYS A 11 1.287 -6.325 -3.948 1.00 0.00 H ATOM 124 HG2 LYS A 11 3.559 -5.412 -3.569 1.00 0.00 H ATOM 125 HG3 LYS A 11 3.755 -6.556 -2.237 1.00 0.00 H ATOM 126 HD2 LYS A 11 3.182 -8.370 -3.919 1.00 0.00 H ATOM 127 HD3 LYS A 11 3.399 -7.145 -5.165 1.00 0.00 H ATOM 128 HE2 LYS A 11 5.512 -7.807 -3.125 1.00 0.00 H ATOM 129 HE3 LYS A 11 5.403 -8.609 -4.690 1.00 0.00 H ATOM 130 HZ1 LYS A 11 5.688 -5.664 -4.338 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.763 -6.533 -5.790 1.00 0.00 H ATOM 132 HZ3 LYS A 11 6.977 -6.722 -4.634 1.00 0.00 H ATOM 133 N TRP A 12 0.916 -3.593 -3.845 1.00 0.00 N ATOM 134 CA TRP A 12 1.161 -2.321 -4.557 1.00 0.00 C ATOM 135 C TRP A 12 1.221 -1.166 -3.585 1.00 0.00 C ATOM 136 O TRP A 12 2.004 -0.235 -3.737 1.00 0.00 O ATOM 137 CB TRP A 12 0.046 -2.057 -5.599 1.00 0.00 C ATOM 138 CG TRP A 12 0.012 -0.647 -6.158 1.00 0.00 C ATOM 139 CD1 TRP A 12 0.483 -0.211 -7.366 1.00 0.00 C ATOM 140 CD2 TRP A 12 -0.525 0.511 -5.507 1.00 0.00 C ATOM 141 NE1 TRP A 12 0.258 1.147 -7.499 1.00 0.00 N ATOM 142 CE2 TRP A 12 -0.357 1.610 -6.360 1.00 0.00 C ATOM 143 CE3 TRP A 12 -1.128 0.703 -4.278 1.00 0.00 C ATOM 144 CZ2 TRP A 12 -0.784 2.899 -6.004 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -1.546 1.966 -3.913 1.00 0.00 C ATOM 146 CH2 TRP A 12 -1.377 3.055 -4.770 1.00 0.00 C ATOM 147 H TRP A 12 0.261 -4.221 -4.209 1.00 0.00 H ATOM 148 HA TRP A 12 2.102 -2.392 -5.056 1.00 0.00 H ATOM 149 HB2 TRP A 12 0.175 -2.732 -6.425 1.00 0.00 H ATOM 150 HB3 TRP A 12 -0.911 -2.251 -5.137 1.00 0.00 H ATOM 151 HD1 TRP A 12 0.952 -0.846 -8.102 1.00 0.00 H ATOM 152 HE1 TRP A 12 0.501 1.688 -8.277 1.00 0.00 H ATOM 153 HE3 TRP A 12 -1.249 -0.131 -3.602 1.00 0.00 H ATOM 154 HZ2 TRP A 12 -0.657 3.746 -6.662 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -2.014 2.122 -2.953 1.00 0.00 H ATOM 156 HH2 TRP A 12 -1.712 4.034 -4.432 1.00 0.00 H ATOM 157 N CYS A 13 0.353 -1.232 -2.612 1.00 0.00 N ATOM 158 CA CYS A 13 0.227 -0.204 -1.617 1.00 0.00 C ATOM 159 C CYS A 13 1.489 -0.001 -0.790 1.00 0.00 C ATOM 160 O CYS A 13 1.865 1.128 -0.502 1.00 0.00 O ATOM 161 CB CYS A 13 -0.942 -0.564 -0.728 1.00 0.00 C ATOM 162 SG CYS A 13 -2.472 -0.879 -1.654 1.00 0.00 S ATOM 163 H CYS A 13 -0.258 -1.995 -2.579 1.00 0.00 H ATOM 164 HA CYS A 13 -0.003 0.718 -2.126 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.702 -1.456 -0.169 1.00 0.00 H ATOM 166 HB3 CYS A 13 -1.131 0.249 -0.043 1.00 0.00 H ATOM 167 N ARG A 14 2.168 -1.067 -0.427 1.00 0.00 N ATOM 168 CA ARG A 14 3.386 -0.912 0.362 1.00 0.00 C ATOM 169 C ARG A 14 4.553 -0.694 -0.558 1.00 0.00 C ATOM 170 O ARG A 14 5.671 -0.401 -0.145 1.00 0.00 O ATOM 171 CB ARG A 14 3.628 -2.121 1.249 1.00 0.00 C ATOM 172 CG ARG A 14 3.614 -3.448 0.518 1.00 0.00 C ATOM 173 CD ARG A 14 4.903 -4.189 0.760 1.00 0.00 C ATOM 174 NE ARG A 14 6.009 -3.599 0.023 1.00 0.00 N ATOM 175 CZ ARG A 14 7.288 -3.757 0.343 1.00 0.00 C ATOM 176 NH1 ARG A 14 7.620 -4.344 1.487 1.00 0.00 N ATOM 177 NH2 ARG A 14 8.228 -3.298 -0.469 1.00 0.00 N ATOM 178 H ARG A 14 1.874 -1.968 -0.724 1.00 0.00 H ATOM 179 HA ARG A 14 3.260 -0.037 0.986 1.00 0.00 H ATOM 180 HB2 ARG A 14 4.589 -2.011 1.726 1.00 0.00 H ATOM 181 HB3 ARG A 14 2.867 -2.148 2.004 1.00 0.00 H ATOM 182 HG2 ARG A 14 2.789 -4.043 0.879 1.00 0.00 H ATOM 183 HG3 ARG A 14 3.502 -3.268 -0.541 1.00 0.00 H ATOM 184 HD2 ARG A 14 5.125 -4.142 1.809 1.00 0.00 H ATOM 185 HD3 ARG A 14 4.782 -5.217 0.457 1.00 0.00 H ATOM 186 HE ARG A 14 5.784 -3.087 -0.792 1.00 0.00 H ATOM 187 HH11 ARG A 14 6.905 -4.665 2.109 1.00 0.00 H ATOM 188 HH12 ARG A 14 8.583 -4.466 1.730 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.960 -2.836 -1.335 1.00 0.00 H ATOM 190 HH22 ARG A 14 9.195 -3.399 -0.241 1.00 0.00 H ATOM 191 N ASP A 15 4.247 -0.868 -1.810 1.00 0.00 N ATOM 192 CA ASP A 15 5.193 -0.737 -2.882 1.00 0.00 C ATOM 193 C ASP A 15 4.984 0.566 -3.632 1.00 0.00 C ATOM 194 O ASP A 15 5.429 0.716 -4.773 1.00 0.00 O ATOM 195 CB ASP A 15 5.005 -1.918 -3.826 1.00 0.00 C ATOM 196 CG ASP A 15 5.889 -3.095 -3.485 1.00 0.00 C ATOM 197 OD1 ASP A 15 6.770 -2.952 -2.615 1.00 0.00 O ATOM 198 OD2 ASP A 15 5.699 -4.175 -4.081 1.00 0.00 O ATOM 199 H ASP A 15 3.329 -1.112 -2.026 1.00 0.00 H ATOM 200 HA ASP A 15 6.186 -0.760 -2.469 1.00 0.00 H ATOM 201 HB2 ASP A 15 3.978 -2.246 -3.770 1.00 0.00 H ATOM 202 HB3 ASP A 15 5.213 -1.605 -4.825 1.00 0.00 H ATOM 203 N HIS A 16 4.288 1.515 -3.015 1.00 0.00 N ATOM 204 CA HIS A 16 4.042 2.770 -3.695 1.00 0.00 C ATOM 205 C HIS A 16 3.894 3.966 -2.766 1.00 0.00 C ATOM 206 O HIS A 16 4.309 5.064 -3.137 1.00 0.00 O ATOM 207 CB HIS A 16 2.805 2.668 -4.583 1.00 0.00 C ATOM 208 CG HIS A 16 2.902 3.522 -5.805 1.00 0.00 C ATOM 209 ND1 HIS A 16 3.844 3.310 -6.790 1.00 0.00 N ATOM 210 CD2 HIS A 16 2.184 4.600 -6.198 1.00 0.00 C ATOM 211 CE1 HIS A 16 3.703 4.220 -7.735 1.00 0.00 C ATOM 212 NE2 HIS A 16 2.702 5.015 -7.401 1.00 0.00 N ATOM 213 H HIS A 16 3.929 1.357 -2.117 1.00 0.00 H ATOM 214 HA HIS A 16 4.890 2.952 -4.330 1.00 0.00 H ATOM 215 HB2 HIS A 16 2.675 1.644 -4.899 1.00 0.00 H ATOM 216 HB3 HIS A 16 1.938 2.983 -4.023 1.00 0.00 H ATOM 217 HD1 HIS A 16 4.521 2.597 -6.790 1.00 0.00 H ATOM 218 HD2 HIS A 16 1.358 5.050 -5.665 1.00 0.00 H ATOM 219 HE1 HIS A 16 4.302 4.301 -8.629 1.00 0.00 H ATOM 220 N ALA A 17 3.285 3.799 -1.591 1.00 0.00 N ATOM 221 CA ALA A 17 3.099 4.962 -0.710 1.00 0.00 C ATOM 222 C ALA A 17 2.630 4.631 0.678 1.00 0.00 C ATOM 223 O ALA A 17 2.472 3.480 1.051 1.00 0.00 O ATOM 224 CB ALA A 17 2.116 5.942 -1.341 1.00 0.00 C ATOM 225 H ALA A 17 2.941 2.906 -1.328 1.00 0.00 H ATOM 226 HA ALA A 17 4.029 5.464 -0.612 1.00 0.00 H ATOM 227 HB1 ALA A 17 1.195 5.941 -0.774 1.00 0.00 H ATOM 228 HB2 ALA A 17 1.913 5.644 -2.359 1.00 0.00 H ATOM 229 HB3 ALA A 17 2.541 6.935 -1.334 1.00 0.00 H ATOM 230 N ARG A 18 2.418 5.699 1.432 1.00 0.00 N ATOM 231 CA ARG A 18 1.940 5.623 2.795 1.00 0.00 C ATOM 232 C ARG A 18 0.437 5.922 2.844 1.00 0.00 C ATOM 233 O ARG A 18 -0.048 6.526 3.799 1.00 0.00 O ATOM 234 CB ARG A 18 2.741 6.575 3.704 1.00 0.00 C ATOM 235 CG ARG A 18 2.864 8.007 3.187 1.00 0.00 C ATOM 236 CD ARG A 18 1.685 8.869 3.610 1.00 0.00 C ATOM 237 NE ARG A 18 1.780 10.236 3.099 1.00 0.00 N ATOM 238 CZ ARG A 18 0.847 11.169 3.301 1.00 0.00 C ATOM 239 NH1 ARG A 18 -0.250 10.874 3.994 1.00 0.00 N ATOM 240 NH2 ARG A 18 1.011 12.393 2.810 1.00 0.00 N ATOM 241 H ARG A 18 2.581 6.581 1.040 1.00 0.00 H ATOM 242 HA ARG A 18 2.094 4.608 3.134 1.00 0.00 H ATOM 243 HB2 ARG A 18 2.263 6.610 4.671 1.00 0.00 H ATOM 244 HB3 ARG A 18 3.738 6.175 3.825 1.00 0.00 H ATOM 245 HG2 ARG A 18 3.771 8.443 3.579 1.00 0.00 H ATOM 246 HG3 ARG A 18 2.913 7.985 2.108 1.00 0.00 H ATOM 247 HD2 ARG A 18 0.777 8.420 3.236 1.00 0.00 H ATOM 248 HD3 ARG A 18 1.649 8.900 4.689 1.00 0.00 H ATOM 249 HE ARG A 18 2.583 10.469 2.584 1.00 0.00 H ATOM 250 HH11 ARG A 18 -0.378 9.950 4.366 1.00 0.00 H ATOM 251 HH12 ARG A 18 -0.954 11.570 4.148 1.00 0.00 H ATOM 252 HH21 ARG A 18 1.835 12.622 2.287 1.00 0.00 H ATOM 253 HH22 ARG A 18 0.312 13.096 2.960 1.00 0.00 H ATOM 254 N CYS A 19 -0.302 5.506 1.804 1.00 0.00 N ATOM 255 CA CYS A 19 -1.751 5.749 1.746 1.00 0.00 C ATOM 256 C CYS A 19 -2.452 5.143 2.965 1.00 0.00 C ATOM 257 O CYS A 19 -3.565 5.530 3.307 1.00 0.00 O ATOM 258 CB CYS A 19 -2.392 5.187 0.471 1.00 0.00 C ATOM 259 SG CYS A 19 -1.223 4.637 -0.803 1.00 0.00 S ATOM 260 H CYS A 19 0.135 5.037 1.062 1.00 0.00 H ATOM 261 HA CYS A 19 -1.897 6.815 1.750 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.004 4.338 0.734 1.00 0.00 H ATOM 263 HB3 CYS A 19 -3.020 5.949 0.032 1.00 0.00 H ATOM 264 N CYS A 20 -1.791 4.185 3.618 1.00 0.00 N ATOM 265 CA CYS A 20 -2.379 3.537 4.815 1.00 0.00 C ATOM 266 C CYS A 20 -1.729 4.061 6.091 1.00 0.00 C ATOM 267 O CYS A 20 -2.274 3.915 7.181 1.00 0.00 O ATOM 268 CB CYS A 20 -2.244 2.008 4.713 1.00 0.00 C ATOM 269 SG CYS A 20 -2.875 0.983 6.092 1.00 0.00 S ATOM 270 H CYS A 20 -0.873 3.915 3.291 1.00 0.00 H ATOM 271 HA CYS A 20 -3.429 3.793 4.838 1.00 0.00 H ATOM 272 HB2 CYS A 20 -2.765 1.683 3.827 1.00 0.00 H ATOM 273 HB3 CYS A 20 -1.196 1.772 4.594 1.00 0.00 H HETATM 274 N NH2 A 21 -0.565 4.680 5.951 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -0.503 5.409 5.297 1.00 0.00 H HETATM 276 HN2 NH2 A 21 0.187 4.386 6.511 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 14 HETATM 1 N PCA A 1 -10.178 1.727 -4.075 1.00 0.00 N HETATM 2 CA PCA A 1 -9.841 2.700 -2.999 1.00 0.00 C HETATM 3 CB PCA A 1 -10.378 4.038 -3.554 1.00 0.00 C HETATM 4 CG PCA A 1 -10.996 3.732 -4.916 1.00 0.00 C HETATM 5 CD PCA A 1 -10.797 2.243 -5.114 1.00 0.00 C HETATM 6 OE PCA A 1 -11.171 1.626 -6.099 1.00 0.00 O HETATM 7 C PCA A 1 -8.498 2.652 -2.333 1.00 0.00 C HETATM 8 O PCA A 1 -7.487 2.402 -2.989 1.00 0.00 O HETATM 9 H1 PCA A 1 -9.324 1.495 -4.621 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.888 2.126 -4.721 1.00 0.00 H HETATM 11 H3 PCA A 1 -10.557 0.853 -3.661 1.00 0.00 H HETATM 12 HA PCA A 1 -10.524 2.446 -2.201 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.568 4.744 -3.673 1.00 0.00 H HETATM 14 HB3 PCA A 1 -11.133 4.441 -2.894 1.00 0.00 H HETATM 15 HG2 PCA A 1 -12.051 3.969 -4.910 1.00 0.00 H HETATM 16 HG3 PCA A 1 -10.482 4.283 -5.692 1.00 0.00 H ATOM 17 N ASN A 2 -8.480 2.876 -1.027 1.00 0.00 N ATOM 18 CA ASN A 2 -7.245 2.848 -0.254 1.00 0.00 C ATOM 19 C ASN A 2 -6.679 1.430 -0.194 1.00 0.00 C ATOM 20 O ASN A 2 -7.226 0.554 0.464 1.00 0.00 O ATOM 21 CB ASN A 2 -7.491 3.401 1.157 1.00 0.00 C ATOM 22 CG ASN A 2 -8.726 2.814 1.826 1.00 0.00 C ATOM 23 OD1 ASN A 2 -9.839 2.914 1.305 1.00 0.00 O ATOM 24 ND2 ASN A 2 -8.538 2.205 2.986 1.00 0.00 N ATOM 25 H ASN A 2 -9.326 3.059 -0.557 1.00 0.00 H ATOM 26 HA ASN A 2 -6.529 3.482 -0.756 1.00 0.00 H ATOM 27 HB2 ASN A 2 -6.635 3.175 1.775 1.00 0.00 H ATOM 28 HB3 ASN A 2 -7.608 4.470 1.096 1.00 0.00 H ATOM 29 HD21 ASN A 2 -7.626 2.165 3.347 1.00 0.00 H ATOM 30 HD22 ASN A 2 -9.313 1.816 3.436 1.00 0.00 H ATOM 31 N CYS A 3 -5.609 1.203 -0.942 1.00 0.00 N ATOM 32 CA CYS A 3 -4.977 -0.113 -1.024 1.00 0.00 C ATOM 33 C CYS A 3 -3.662 -0.255 -0.207 1.00 0.00 C ATOM 34 O CYS A 3 -3.340 -1.327 0.304 1.00 0.00 O ATOM 35 CB CYS A 3 -4.721 -0.423 -2.498 1.00 0.00 C ATOM 36 SG CYS A 3 -3.982 -2.050 -2.802 1.00 0.00 S ATOM 37 H CYS A 3 -5.251 1.936 -1.484 1.00 0.00 H ATOM 38 HA CYS A 3 -5.687 -0.833 -0.649 1.00 0.00 H ATOM 39 HB2 CYS A 3 -5.657 -0.385 -3.034 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.051 0.323 -2.902 1.00 0.00 H ATOM 41 N CYS A 4 -2.872 0.812 -0.177 1.00 0.00 N ATOM 42 CA CYS A 4 -1.545 0.836 0.451 1.00 0.00 C ATOM 43 C CYS A 4 -1.519 1.193 1.939 1.00 0.00 C ATOM 44 O CYS A 4 -1.287 2.338 2.303 1.00 0.00 O ATOM 45 CB CYS A 4 -0.689 1.854 -0.281 1.00 0.00 C ATOM 46 SG CYS A 4 -0.950 1.962 -2.073 1.00 0.00 S ATOM 47 H CYS A 4 -3.156 1.590 -0.636 1.00 0.00 H ATOM 48 HA CYS A 4 -1.099 -0.136 0.319 1.00 0.00 H ATOM 49 HB2 CYS A 4 -0.886 2.832 0.130 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.350 1.612 -0.118 1.00 0.00 H ATOM 51 N ASN A 5 -1.707 0.211 2.780 1.00 0.00 N ATOM 52 CA ASN A 5 -1.655 0.397 4.232 1.00 0.00 C ATOM 53 C ASN A 5 -1.187 -0.912 4.787 1.00 0.00 C ATOM 54 O ASN A 5 -0.336 -0.996 5.667 1.00 0.00 O ATOM 55 CB ASN A 5 -3.030 0.755 4.817 1.00 0.00 C ATOM 56 CG ASN A 5 -2.995 1.103 6.299 1.00 0.00 C ATOM 57 OD1 ASN A 5 -2.459 0.364 7.117 1.00 0.00 O ATOM 58 ND2 ASN A 5 -3.606 2.224 6.657 1.00 0.00 N ATOM 59 H ASN A 5 -1.849 -0.686 2.427 1.00 0.00 H ATOM 60 HA ASN A 5 -0.935 1.170 4.461 1.00 0.00 H ATOM 61 HB2 ASN A 5 -3.422 1.608 4.284 1.00 0.00 H ATOM 62 HB3 ASN A 5 -3.702 -0.081 4.679 1.00 0.00 H ATOM 63 HD21 ASN A 5 -4.046 2.759 5.961 1.00 0.00 H ATOM 64 HD22 ASN A 5 -3.597 2.469 7.605 1.00 0.00 H ATOM 65 N GLY A 6 -1.743 -1.940 4.193 1.00 0.00 N ATOM 66 CA GLY A 6 -1.400 -3.286 4.554 1.00 0.00 C ATOM 67 C GLY A 6 -1.828 -4.235 3.479 1.00 0.00 C ATOM 68 O GLY A 6 -2.176 -5.379 3.748 1.00 0.00 O ATOM 69 H GLY A 6 -2.394 -1.774 3.469 1.00 0.00 H ATOM 70 HA2 GLY A 6 -0.333 -3.355 4.682 1.00 0.00 H ATOM 71 HA3 GLY A 6 -1.893 -3.549 5.477 1.00 0.00 H ATOM 72 N GLY A 7 -1.823 -3.743 2.241 1.00 0.00 N ATOM 73 CA GLY A 7 -2.245 -4.569 1.144 1.00 0.00 C ATOM 74 C GLY A 7 -3.738 -4.703 1.158 1.00 0.00 C ATOM 75 O GLY A 7 -4.278 -5.762 0.855 1.00 0.00 O ATOM 76 H GLY A 7 -1.555 -2.807 2.079 1.00 0.00 H ATOM 77 HA2 GLY A 7 -1.930 -4.118 0.214 1.00 0.00 H ATOM 78 HA3 GLY A 7 -1.799 -5.548 1.239 1.00 0.00 H ATOM 79 N CYS A 8 -4.386 -3.597 1.533 1.00 0.00 N ATOM 80 CA CYS A 8 -5.836 -3.514 1.624 1.00 0.00 C ATOM 81 C CYS A 8 -6.469 -4.164 0.391 1.00 0.00 C ATOM 82 O CYS A 8 -7.299 -5.063 0.509 1.00 0.00 O ATOM 83 CB CYS A 8 -6.248 -2.033 1.788 1.00 0.00 C ATOM 84 SG CYS A 8 -5.245 -1.130 3.043 1.00 0.00 S ATOM 85 H CYS A 8 -3.860 -2.808 1.769 1.00 0.00 H ATOM 86 HA CYS A 8 -6.143 -4.064 2.499 1.00 0.00 H ATOM 87 HB2 CYS A 8 -6.131 -1.524 0.842 1.00 0.00 H ATOM 88 HB3 CYS A 8 -7.281 -1.984 2.094 1.00 0.00 H ATOM 89 N SER A 9 -6.029 -3.745 -0.788 1.00 0.00 N ATOM 90 CA SER A 9 -6.505 -4.340 -2.029 1.00 0.00 C ATOM 91 C SER A 9 -5.473 -5.340 -2.593 1.00 0.00 C ATOM 92 O SER A 9 -5.840 -6.404 -3.090 1.00 0.00 O ATOM 93 CB SER A 9 -6.847 -3.258 -3.054 1.00 0.00 C ATOM 94 OG SER A 9 -7.716 -2.287 -2.486 1.00 0.00 O ATOM 95 H SER A 9 -5.338 -3.061 -0.821 1.00 0.00 H ATOM 96 HA SER A 9 -7.406 -4.886 -1.793 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.940 -2.768 -3.377 1.00 0.00 H ATOM 98 HB3 SER A 9 -7.337 -3.710 -3.904 1.00 0.00 H ATOM 99 HG SER A 9 -8.206 -2.690 -1.762 1.00 0.00 H ATOM 100 N SER A 10 -4.179 -4.978 -2.536 1.00 0.00 N ATOM 101 CA SER A 10 -3.104 -5.830 -3.065 1.00 0.00 C ATOM 102 C SER A 10 -1.739 -5.525 -2.414 1.00 0.00 C ATOM 103 O SER A 10 -1.549 -4.482 -1.782 1.00 0.00 O ATOM 104 CB SER A 10 -2.993 -5.657 -4.583 1.00 0.00 C ATOM 105 OG SER A 10 -4.201 -6.006 -5.235 1.00 0.00 O ATOM 106 H SER A 10 -3.944 -4.111 -2.149 1.00 0.00 H ATOM 107 HA SER A 10 -3.365 -6.855 -2.852 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.762 -4.628 -4.809 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.201 -6.291 -4.956 1.00 0.00 H ATOM 110 HG SER A 10 -4.853 -6.287 -4.576 1.00 0.00 H ATOM 111 N LYS A 11 -0.801 -6.467 -2.579 1.00 0.00 N ATOM 112 CA LYS A 11 0.558 -6.377 -2.025 1.00 0.00 C ATOM 113 C LYS A 11 1.332 -5.154 -2.510 1.00 0.00 C ATOM 114 O LYS A 11 2.038 -4.531 -1.718 1.00 0.00 O ATOM 115 CB LYS A 11 1.358 -7.654 -2.357 1.00 0.00 C ATOM 116 CG LYS A 11 2.881 -7.479 -2.302 1.00 0.00 C ATOM 117 CD LYS A 11 3.482 -7.353 -3.702 1.00 0.00 C ATOM 118 CE LYS A 11 4.706 -6.436 -3.734 1.00 0.00 C ATOM 119 NZ LYS A 11 5.867 -6.985 -2.978 1.00 0.00 N ATOM 120 H LYS A 11 -1.038 -7.262 -3.085 1.00 0.00 H ATOM 121 HA LYS A 11 0.461 -6.310 -0.952 1.00 0.00 H ATOM 122 HB2 LYS A 11 1.084 -8.426 -1.654 1.00 0.00 H ATOM 123 HB3 LYS A 11 1.092 -7.979 -3.352 1.00 0.00 H ATOM 124 HG2 LYS A 11 3.110 -6.585 -1.742 1.00 0.00 H ATOM 125 HG3 LYS A 11 3.315 -8.336 -1.809 1.00 0.00 H ATOM 126 HD2 LYS A 11 3.777 -8.334 -4.042 1.00 0.00 H ATOM 127 HD3 LYS A 11 2.730 -6.954 -4.367 1.00 0.00 H ATOM 128 HE2 LYS A 11 5.000 -6.292 -4.762 1.00 0.00 H ATOM 129 HE3 LYS A 11 4.431 -5.482 -3.307 1.00 0.00 H ATOM 130 HZ1 LYS A 11 6.516 -6.202 -2.701 1.00 0.00 H ATOM 131 HZ2 LYS A 11 6.395 -7.657 -3.567 1.00 0.00 H ATOM 132 HZ3 LYS A 11 5.545 -7.467 -2.120 1.00 0.00 H ATOM 133 N TRP A 12 1.226 -4.837 -3.803 1.00 0.00 N ATOM 134 CA TRP A 12 1.951 -3.698 -4.382 1.00 0.00 C ATOM 135 C TRP A 12 1.789 -2.463 -3.538 1.00 0.00 C ATOM 136 O TRP A 12 2.715 -1.686 -3.370 1.00 0.00 O ATOM 137 CB TRP A 12 1.462 -3.395 -5.822 1.00 0.00 C ATOM 138 CG TRP A 12 1.959 -2.077 -6.392 1.00 0.00 C ATOM 139 CD1 TRP A 12 2.974 -1.877 -7.286 1.00 0.00 C ATOM 140 CD2 TRP A 12 1.460 -0.771 -6.072 1.00 0.00 C ATOM 141 NE1 TRP A 12 3.127 -0.526 -7.535 1.00 0.00 N ATOM 142 CE2 TRP A 12 2.206 0.172 -6.790 1.00 0.00 C ATOM 143 CE3 TRP A 12 0.451 -0.330 -5.235 1.00 0.00 C ATOM 144 CZ2 TRP A 12 1.960 1.550 -6.682 1.00 0.00 C ATOM 145 CZ3 TRP A 12 0.205 1.020 -5.116 1.00 0.00 C ATOM 146 CH2 TRP A 12 0.951 1.952 -5.832 1.00 0.00 C ATOM 147 H TRP A 12 0.663 -5.387 -4.385 1.00 0.00 H ATOM 148 HA TRP A 12 2.986 -3.947 -4.406 1.00 0.00 H ATOM 149 HB2 TRP A 12 1.793 -4.181 -6.477 1.00 0.00 H ATOM 150 HB3 TRP A 12 0.382 -3.369 -5.824 1.00 0.00 H ATOM 151 HD1 TRP A 12 3.560 -2.669 -7.729 1.00 0.00 H ATOM 152 HE1 TRP A 12 3.787 -0.132 -8.143 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.127 -1.043 -4.666 1.00 0.00 H ATOM 154 HZ2 TRP A 12 2.534 2.279 -7.235 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -0.578 1.368 -4.459 1.00 0.00 H ATOM 156 HH2 TRP A 12 0.728 3.005 -5.687 1.00 0.00 H ATOM 157 N CYS A 13 0.595 -2.278 -3.054 1.00 0.00 N ATOM 158 CA CYS A 13 0.254 -1.120 -2.285 1.00 0.00 C ATOM 159 C CYS A 13 0.983 -1.066 -0.969 1.00 0.00 C ATOM 160 O CYS A 13 1.479 -0.023 -0.553 1.00 0.00 O ATOM 161 CB CYS A 13 -1.234 -1.162 -2.064 1.00 0.00 C ATOM 162 SG CYS A 13 -2.170 -1.596 -3.554 1.00 0.00 S ATOM 163 H CYS A 13 -0.102 -2.934 -3.244 1.00 0.00 H ATOM 164 HA CYS A 13 0.497 -0.243 -2.864 1.00 0.00 H ATOM 165 HB2 CYS A 13 -1.459 -1.897 -1.305 1.00 0.00 H ATOM 166 HB3 CYS A 13 -1.571 -0.191 -1.732 1.00 0.00 H ATOM 167 N ARG A 14 1.045 -2.193 -0.323 1.00 0.00 N ATOM 168 CA ARG A 14 1.703 -2.287 0.958 1.00 0.00 C ATOM 169 C ARG A 14 3.205 -2.110 0.794 1.00 0.00 C ATOM 170 O ARG A 14 3.896 -1.548 1.642 1.00 0.00 O ATOM 171 CB ARG A 14 1.371 -3.648 1.552 1.00 0.00 C ATOM 172 CG ARG A 14 1.662 -3.766 3.028 1.00 0.00 C ATOM 173 CD ARG A 14 3.151 -3.794 3.289 1.00 0.00 C ATOM 174 NE ARG A 14 3.789 -4.859 2.535 1.00 0.00 N ATOM 175 CZ ARG A 14 5.071 -4.856 2.172 1.00 0.00 C ATOM 176 NH1 ARG A 14 5.823 -3.782 2.376 1.00 0.00 N ATOM 177 NH2 ARG A 14 5.597 -5.912 1.567 1.00 0.00 N ATOM 178 H ARG A 14 0.643 -3.003 -0.729 1.00 0.00 H ATOM 179 HA ARG A 14 1.320 -1.519 1.604 1.00 0.00 H ATOM 180 HB2 ARG A 14 0.322 -3.838 1.399 1.00 0.00 H ATOM 181 HB3 ARG A 14 1.944 -4.402 1.032 1.00 0.00 H ATOM 182 HG2 ARG A 14 1.228 -2.918 3.530 1.00 0.00 H ATOM 183 HG3 ARG A 14 1.217 -4.676 3.394 1.00 0.00 H ATOM 184 HD2 ARG A 14 3.577 -2.847 2.993 1.00 0.00 H ATOM 185 HD3 ARG A 14 3.320 -3.952 4.329 1.00 0.00 H ATOM 186 HE ARG A 14 3.230 -5.623 2.304 1.00 0.00 H ATOM 187 HH11 ARG A 14 5.435 -2.966 2.809 1.00 0.00 H ATOM 188 HH12 ARG A 14 6.782 -3.773 2.066 1.00 0.00 H ATOM 189 HH21 ARG A 14 5.042 -6.721 1.388 1.00 0.00 H ATOM 190 HH22 ARG A 14 6.559 -5.884 1.259 1.00 0.00 H ATOM 191 N ASP A 15 3.674 -2.633 -0.300 1.00 0.00 N ATOM 192 CA ASP A 15 5.080 -2.631 -0.651 1.00 0.00 C ATOM 193 C ASP A 15 5.427 -1.452 -1.547 1.00 0.00 C ATOM 194 O ASP A 15 6.393 -1.503 -2.306 1.00 0.00 O ATOM 195 CB ASP A 15 5.381 -3.954 -1.360 1.00 0.00 C ATOM 196 CG ASP A 15 6.792 -4.466 -1.152 1.00 0.00 C ATOM 197 OD1 ASP A 15 7.280 -4.432 -0.003 1.00 0.00 O ATOM 198 OD2 ASP A 15 7.368 -5.000 -2.123 1.00 0.00 O ATOM 199 H ASP A 15 3.046 -3.056 -0.895 1.00 0.00 H ATOM 200 HA ASP A 15 5.659 -2.575 0.257 1.00 0.00 H ATOM 201 HB2 ASP A 15 4.698 -4.706 -0.997 1.00 0.00 H ATOM 202 HB3 ASP A 15 5.223 -3.821 -2.421 1.00 0.00 H ATOM 203 N HIS A 16 4.643 -0.382 -1.470 1.00 0.00 N ATOM 204 CA HIS A 16 4.924 0.776 -2.298 1.00 0.00 C ATOM 205 C HIS A 16 4.472 2.086 -1.682 1.00 0.00 C ATOM 206 O HIS A 16 5.098 3.115 -1.945 1.00 0.00 O ATOM 207 CB HIS A 16 4.290 0.658 -3.684 1.00 0.00 C ATOM 208 CG HIS A 16 5.079 1.348 -4.752 1.00 0.00 C ATOM 209 ND1 HIS A 16 5.350 2.700 -4.736 1.00 0.00 N ATOM 210 CD2 HIS A 16 5.664 0.863 -5.872 1.00 0.00 C ATOM 211 CE1 HIS A 16 6.062 3.018 -5.800 1.00 0.00 C ATOM 212 NE2 HIS A 16 6.267 1.921 -6.505 1.00 0.00 N ATOM 213 H HIS A 16 3.878 -0.379 -0.859 1.00 0.00 H ATOM 214 HA HIS A 16 5.991 0.821 -2.423 1.00 0.00 H ATOM 215 HB2 HIS A 16 4.193 -0.379 -3.954 1.00 0.00 H ATOM 216 HB3 HIS A 16 3.308 1.108 -3.658 1.00 0.00 H ATOM 217 HD1 HIS A 16 5.075 3.331 -4.032 1.00 0.00 H ATOM 218 HD2 HIS A 16 5.656 -0.165 -6.205 1.00 0.00 H ATOM 219 HE1 HIS A 16 6.418 4.006 -6.050 1.00 0.00 H ATOM 220 N ALA A 17 3.378 2.104 -0.918 1.00 0.00 N ATOM 221 CA ALA A 17 2.936 3.406 -0.390 1.00 0.00 C ATOM 222 C ALA A 17 1.937 3.378 0.746 1.00 0.00 C ATOM 223 O ALA A 17 1.552 2.336 1.265 1.00 0.00 O ATOM 224 CB ALA A 17 2.376 4.253 -1.526 1.00 0.00 C ATOM 225 H ALA A 17 2.860 1.261 -0.746 1.00 0.00 H ATOM 226 HA ALA A 17 3.796 3.915 -0.026 1.00 0.00 H ATOM 227 HB1 ALA A 17 2.730 3.867 -2.471 1.00 0.00 H ATOM 228 HB2 ALA A 17 2.705 5.275 -1.409 1.00 0.00 H ATOM 229 HB3 ALA A 17 1.297 4.217 -1.503 1.00 0.00 H ATOM 230 N ARG A 18 1.561 4.599 1.119 1.00 0.00 N ATOM 231 CA ARG A 18 0.612 4.880 2.185 1.00 0.00 C ATOM 232 C ARG A 18 -0.772 5.211 1.620 1.00 0.00 C ATOM 233 O ARG A 18 -1.600 5.786 2.322 1.00 0.00 O ATOM 234 CB ARG A 18 1.117 6.069 2.990 1.00 0.00 C ATOM 235 CG ARG A 18 1.159 7.341 2.165 1.00 0.00 C ATOM 236 CD ARG A 18 2.086 8.370 2.763 1.00 0.00 C ATOM 237 NE ARG A 18 1.639 8.825 4.081 1.00 0.00 N ATOM 238 CZ ARG A 18 2.300 9.708 4.833 1.00 0.00 C ATOM 239 NH1 ARG A 18 3.443 10.233 4.399 1.00 0.00 N ATOM 240 NH2 ARG A 18 1.817 10.066 6.019 1.00 0.00 N ATOM 241 H ARG A 18 1.952 5.359 0.642 1.00 0.00 H ATOM 242 HA ARG A 18 0.546 4.015 2.824 1.00 0.00 H ATOM 243 HB2 ARG A 18 0.462 6.227 3.835 1.00 0.00 H ATOM 244 HB3 ARG A 18 2.114 5.859 3.345 1.00 0.00 H ATOM 245 HG2 ARG A 18 1.502 7.101 1.170 1.00 0.00 H ATOM 246 HG3 ARG A 18 0.162 7.755 2.112 1.00 0.00 H ATOM 247 HD2 ARG A 18 3.067 7.931 2.854 1.00 0.00 H ATOM 248 HD3 ARG A 18 2.129 9.211 2.092 1.00 0.00 H ATOM 249 HE ARG A 18 0.796 8.450 4.421 1.00 0.00 H ATOM 250 HH11 ARG A 18 3.812 9.968 3.506 1.00 0.00 H ATOM 251 HH12 ARG A 18 3.941 10.896 4.962 1.00 0.00 H ATOM 252 HH21 ARG A 18 0.956 9.674 6.352 1.00 0.00 H ATOM 253 HH22 ARG A 18 2.310 10.728 6.588 1.00 0.00 H ATOM 254 N CYS A 19 -0.999 4.892 0.342 1.00 0.00 N ATOM 255 CA CYS A 19 -2.281 5.195 -0.331 1.00 0.00 C ATOM 256 C CYS A 19 -3.499 4.748 0.501 1.00 0.00 C ATOM 257 O CYS A 19 -4.587 5.296 0.358 1.00 0.00 O ATOM 258 CB CYS A 19 -2.382 4.541 -1.712 1.00 0.00 C ATOM 259 SG CYS A 19 -0.814 3.951 -2.399 1.00 0.00 S ATOM 260 H CYS A 19 -0.274 4.483 -0.171 1.00 0.00 H ATOM 261 HA CYS A 19 -2.319 6.260 -0.473 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.046 3.693 -1.648 1.00 0.00 H ATOM 263 HB3 CYS A 19 -2.796 5.258 -2.407 1.00 0.00 H ATOM 264 N CYS A 20 -3.312 3.743 1.361 1.00 0.00 N ATOM 265 CA CYS A 20 -4.418 3.230 2.206 1.00 0.00 C ATOM 266 C CYS A 20 -4.248 3.681 3.655 1.00 0.00 C ATOM 267 O CYS A 20 -5.158 3.546 4.470 1.00 0.00 O ATOM 268 CB CYS A 20 -4.479 1.693 2.120 1.00 0.00 C ATOM 269 SG CYS A 20 -5.836 0.833 3.000 1.00 0.00 S ATOM 270 H CYS A 20 -2.397 3.333 1.437 1.00 0.00 H ATOM 271 HA CYS A 20 -5.341 3.640 1.823 1.00 0.00 H ATOM 272 HB2 CYS A 20 -4.562 1.416 1.081 1.00 0.00 H ATOM 273 HB3 CYS A 20 -3.548 1.298 2.502 1.00 0.00 H HETATM 274 N NH2 A 21 -3.079 4.211 3.978 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -2.711 4.911 3.394 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -2.629 3.885 4.784 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 15 HETATM 1 N PCA A 1 -9.881 2.080 -0.616 1.00 0.00 N HETATM 2 CA PCA A 1 -9.318 2.584 0.667 1.00 0.00 C HETATM 3 CB PCA A 1 -9.949 3.987 0.801 1.00 0.00 C HETATM 4 CG PCA A 1 -10.839 4.187 -0.422 1.00 0.00 C HETATM 5 CD PCA A 1 -10.699 2.910 -1.225 1.00 0.00 C HETATM 6 OE PCA A 1 -11.277 2.695 -2.280 1.00 0.00 O HETATM 7 C PCA A 1 -7.864 2.386 0.980 1.00 0.00 C HETATM 8 O PCA A 1 -7.017 2.493 0.095 1.00 0.00 O HETATM 9 H1 PCA A 1 -10.707 2.643 -0.900 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.172 1.088 -0.514 1.00 0.00 H HETATM 11 H3 PCA A 1 -9.162 2.140 -1.365 1.00 0.00 H HETATM 12 HA PCA A 1 -9.818 1.990 1.418 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.176 4.743 0.817 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.547 4.044 1.700 1.00 0.00 H HETATM 15 HG2 PCA A 1 -11.868 4.325 -0.118 1.00 0.00 H HETATM 16 HG3 PCA A 1 -10.492 5.031 -1.003 1.00 0.00 H ATOM 17 N ASN A 2 -7.569 2.083 2.236 1.00 0.00 N ATOM 18 CA ASN A 2 -6.199 1.853 2.675 1.00 0.00 C ATOM 19 C ASN A 2 -5.642 0.572 2.055 1.00 0.00 C ATOM 20 O ASN A 2 -6.032 -0.532 2.414 1.00 0.00 O ATOM 21 CB ASN A 2 -6.137 1.796 4.207 1.00 0.00 C ATOM 22 CG ASN A 2 -7.197 0.895 4.822 1.00 0.00 C ATOM 23 OD1 ASN A 2 -8.396 1.084 4.605 1.00 0.00 O ATOM 24 ND2 ASN A 2 -6.761 -0.084 5.597 1.00 0.00 N ATOM 25 H ASN A 2 -8.295 2.000 2.896 1.00 0.00 H ATOM 26 HA ASN A 2 -5.602 2.687 2.333 1.00 0.00 H ATOM 27 HB2 ASN A 2 -5.167 1.424 4.503 1.00 0.00 H ATOM 28 HB3 ASN A 2 -6.263 2.793 4.597 1.00 0.00 H ATOM 29 HD21 ASN A 2 -5.791 -0.173 5.729 1.00 0.00 H ATOM 30 HD22 ASN A 2 -7.418 -0.681 6.004 1.00 0.00 H ATOM 31 N CYS A 3 -4.769 0.741 1.074 1.00 0.00 N ATOM 32 CA CYS A 3 -4.178 -0.382 0.350 1.00 0.00 C ATOM 33 C CYS A 3 -2.725 -0.727 0.766 1.00 0.00 C ATOM 34 O CYS A 3 -2.311 -1.887 0.743 1.00 0.00 O ATOM 35 CB CYS A 3 -4.231 -0.065 -1.145 1.00 0.00 C ATOM 36 SG CYS A 3 -3.598 -1.386 -2.215 1.00 0.00 S ATOM 37 H CYS A 3 -4.537 1.654 0.803 1.00 0.00 H ATOM 38 HA CYS A 3 -4.798 -1.246 0.533 1.00 0.00 H ATOM 39 HB2 CYS A 3 -5.256 0.121 -1.429 1.00 0.00 H ATOM 40 HB3 CYS A 3 -3.645 0.822 -1.336 1.00 0.00 H ATOM 41 N CYS A 4 -1.939 0.302 1.048 1.00 0.00 N ATOM 42 CA CYS A 4 -0.510 0.180 1.349 1.00 0.00 C ATOM 43 C CYS A 4 -0.148 -0.004 2.822 1.00 0.00 C ATOM 44 O CYS A 4 0.170 0.955 3.510 1.00 0.00 O ATOM 45 CB CYS A 4 0.184 1.439 0.870 1.00 0.00 C ATOM 46 SG CYS A 4 -0.507 2.210 -0.614 1.00 0.00 S ATOM 47 H CYS A 4 -2.307 1.175 0.993 1.00 0.00 H ATOM 48 HA CYS A 4 -0.122 -0.653 0.787 1.00 0.00 H ATOM 49 HB2 CYS A 4 0.148 2.175 1.658 1.00 0.00 H ATOM 50 HB3 CYS A 4 1.217 1.203 0.663 1.00 0.00 H ATOM 51 N ASN A 5 -0.144 -1.225 3.280 1.00 0.00 N ATOM 52 CA ASN A 5 0.248 -1.540 4.656 1.00 0.00 C ATOM 53 C ASN A 5 0.804 -2.929 4.624 1.00 0.00 C ATOM 54 O ASN A 5 1.738 -3.287 5.333 1.00 0.00 O ATOM 55 CB ASN A 5 -0.927 -1.465 5.634 1.00 0.00 C ATOM 56 CG ASN A 5 -0.485 -1.566 7.081 1.00 0.00 C ATOM 57 OD1 ASN A 5 0.289 -0.742 7.562 1.00 0.00 O ATOM 58 ND2 ASN A 5 -0.983 -2.569 7.788 1.00 0.00 N ATOM 59 H ASN A 5 -0.364 -1.954 2.674 1.00 0.00 H ATOM 60 HA ASN A 5 1.024 -0.850 4.956 1.00 0.00 H ATOM 61 HB2 ASN A 5 -1.436 -0.522 5.501 1.00 0.00 H ATOM 62 HB3 ASN A 5 -1.615 -2.272 5.428 1.00 0.00 H ATOM 63 HD21 ASN A 5 -1.602 -3.185 7.347 1.00 0.00 H ATOM 64 HD22 ASN A 5 -0.712 -2.651 8.725 1.00 0.00 H ATOM 65 N GLY A 6 0.207 -3.694 3.739 1.00 0.00 N ATOM 66 CA GLY A 6 0.610 -5.054 3.529 1.00 0.00 C ATOM 67 C GLY A 6 -0.056 -5.610 2.308 1.00 0.00 C ATOM 68 O GLY A 6 -0.325 -6.803 2.227 1.00 0.00 O ATOM 69 H GLY A 6 -0.524 -3.311 3.202 1.00 0.00 H ATOM 70 HA2 GLY A 6 1.677 -5.087 3.395 1.00 0.00 H ATOM 71 HA3 GLY A 6 0.334 -5.648 4.387 1.00 0.00 H ATOM 72 N GLY A 7 -0.341 -4.727 1.351 1.00 0.00 N ATOM 73 CA GLY A 7 -1.002 -5.165 0.151 1.00 0.00 C ATOM 74 C GLY A 7 -2.458 -5.402 0.425 1.00 0.00 C ATOM 75 O GLY A 7 -3.058 -6.323 -0.119 1.00 0.00 O ATOM 76 H GLY A 7 -0.121 -3.773 1.473 1.00 0.00 H ATOM 77 HA2 GLY A 7 -0.897 -4.406 -0.611 1.00 0.00 H ATOM 78 HA3 GLY A 7 -0.551 -6.083 -0.192 1.00 0.00 H ATOM 79 N CYS A 8 -3.002 -4.548 1.293 1.00 0.00 N ATOM 80 CA CYS A 8 -4.397 -4.611 1.699 1.00 0.00 C ATOM 81 C CYS A 8 -5.286 -4.801 0.466 1.00 0.00 C ATOM 82 O CYS A 8 -6.064 -5.749 0.390 1.00 0.00 O ATOM 83 CB CYS A 8 -4.756 -3.328 2.482 1.00 0.00 C ATOM 84 SG CYS A 8 -3.508 -2.872 3.757 1.00 0.00 S ATOM 85 H CYS A 8 -2.434 -3.854 1.682 1.00 0.00 H ATOM 86 HA CYS A 8 -4.516 -5.464 2.345 1.00 0.00 H ATOM 87 HB2 CYS A 8 -4.839 -2.502 1.791 1.00 0.00 H ATOM 88 HB3 CYS A 8 -5.700 -3.472 2.981 1.00 0.00 H ATOM 89 N SER A 9 -5.127 -3.922 -0.515 1.00 0.00 N ATOM 90 CA SER A 9 -5.871 -4.036 -1.761 1.00 0.00 C ATOM 91 C SER A 9 -4.998 -4.639 -2.881 1.00 0.00 C ATOM 92 O SER A 9 -5.479 -5.431 -3.691 1.00 0.00 O ATOM 93 CB SER A 9 -6.442 -2.679 -2.175 1.00 0.00 C ATOM 94 OG SER A 9 -7.149 -2.083 -1.097 1.00 0.00 O ATOM 95 H SER A 9 -4.469 -3.213 -0.415 1.00 0.00 H ATOM 96 HA SER A 9 -6.693 -4.711 -1.578 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.635 -2.024 -2.467 1.00 0.00 H ATOM 98 HB3 SER A 9 -7.119 -2.812 -3.006 1.00 0.00 H ATOM 99 HG SER A 9 -7.468 -2.776 -0.509 1.00 0.00 H ATOM 100 N SER A 10 -3.716 -4.234 -2.944 1.00 0.00 N ATOM 101 CA SER A 10 -2.797 -4.713 -3.986 1.00 0.00 C ATOM 102 C SER A 10 -1.317 -4.615 -3.563 1.00 0.00 C ATOM 103 O SER A 10 -0.974 -3.952 -2.581 1.00 0.00 O ATOM 104 CB SER A 10 -3.009 -3.918 -5.279 1.00 0.00 C ATOM 105 OG SER A 10 -4.327 -4.079 -5.773 1.00 0.00 O ATOM 106 H SER A 10 -3.391 -3.584 -2.291 1.00 0.00 H ATOM 107 HA SER A 10 -3.031 -5.749 -4.177 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.838 -2.869 -5.086 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.313 -4.264 -6.029 1.00 0.00 H ATOM 110 HG SER A 10 -4.834 -4.636 -5.164 1.00 0.00 H ATOM 111 N LYS A 11 -0.458 -5.304 -4.325 1.00 0.00 N ATOM 112 CA LYS A 11 0.990 -5.363 -4.087 1.00 0.00 C ATOM 113 C LYS A 11 1.670 -3.997 -4.116 1.00 0.00 C ATOM 114 O LYS A 11 2.382 -3.661 -3.178 1.00 0.00 O ATOM 115 CB LYS A 11 1.657 -6.263 -5.131 1.00 0.00 C ATOM 116 CG LYS A 11 3.169 -6.093 -5.193 1.00 0.00 C ATOM 117 CD LYS A 11 3.770 -6.834 -6.371 1.00 0.00 C ATOM 118 CE LYS A 11 5.245 -6.494 -6.555 1.00 0.00 C ATOM 119 NZ LYS A 11 6.037 -6.704 -5.312 1.00 0.00 N ATOM 120 H LYS A 11 -0.816 -5.805 -5.073 1.00 0.00 H ATOM 121 HA LYS A 11 1.142 -5.801 -3.113 1.00 0.00 H ATOM 122 HB2 LYS A 11 1.440 -7.294 -4.893 1.00 0.00 H ATOM 123 HB3 LYS A 11 1.250 -6.032 -6.104 1.00 0.00 H ATOM 124 HG2 LYS A 11 3.400 -5.042 -5.288 1.00 0.00 H ATOM 125 HG3 LYS A 11 3.602 -6.476 -4.279 1.00 0.00 H ATOM 126 HD2 LYS A 11 3.668 -7.890 -6.202 1.00 0.00 H ATOM 127 HD3 LYS A 11 3.232 -6.558 -7.266 1.00 0.00 H ATOM 128 HE2 LYS A 11 5.649 -7.121 -7.335 1.00 0.00 H ATOM 129 HE3 LYS A 11 5.325 -5.458 -6.851 1.00 0.00 H ATOM 130 HZ1 LYS A 11 6.699 -7.493 -5.433 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.407 -6.910 -4.512 1.00 0.00 H ATOM 132 HZ3 LYS A 11 6.585 -5.836 -5.085 1.00 0.00 H ATOM 133 N TRP A 12 1.472 -3.238 -5.204 1.00 0.00 N ATOM 134 CA TRP A 12 2.093 -1.905 -5.368 1.00 0.00 C ATOM 135 C TRP A 12 2.056 -1.127 -4.076 1.00 0.00 C ATOM 136 O TRP A 12 2.992 -0.418 -3.726 1.00 0.00 O ATOM 137 CB TRP A 12 1.376 -1.094 -6.475 1.00 0.00 C ATOM 138 CG TRP A 12 1.738 0.379 -6.513 1.00 0.00 C ATOM 139 CD1 TRP A 12 2.614 1.008 -7.354 1.00 0.00 C ATOM 140 CD2 TRP A 12 1.227 1.399 -5.647 1.00 0.00 C ATOM 141 NE1 TRP A 12 2.665 2.358 -7.059 1.00 0.00 N ATOM 142 CE2 TRP A 12 1.820 2.616 -6.005 1.00 0.00 C ATOM 143 CE3 TRP A 12 0.321 1.376 -4.602 1.00 0.00 C ATOM 144 CZ2 TRP A 12 1.524 3.813 -5.335 1.00 0.00 C ATOM 145 CZ3 TRP A 12 0.026 2.544 -3.932 1.00 0.00 C ATOM 146 CH2 TRP A 12 0.621 3.753 -4.296 1.00 0.00 C ATOM 147 H TRP A 12 0.913 -3.590 -5.923 1.00 0.00 H ATOM 148 HA TRP A 12 3.114 -2.047 -5.642 1.00 0.00 H ATOM 149 HB2 TRP A 12 1.623 -1.516 -7.433 1.00 0.00 H ATOM 150 HB3 TRP A 12 0.309 -1.168 -6.324 1.00 0.00 H ATOM 151 HD1 TRP A 12 3.171 0.512 -8.134 1.00 0.00 H ATOM 152 HE1 TRP A 12 3.215 3.020 -7.526 1.00 0.00 H ATOM 153 HE3 TRP A 12 -0.135 0.442 -4.305 1.00 0.00 H ATOM 154 HZ2 TRP A 12 1.980 4.752 -5.611 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -0.677 2.531 -3.112 1.00 0.00 H ATOM 156 HH2 TRP A 12 0.365 4.644 -3.727 1.00 0.00 H ATOM 157 N CYS A 13 0.949 -1.250 -3.400 1.00 0.00 N ATOM 158 CA CYS A 13 0.717 -0.555 -2.168 1.00 0.00 C ATOM 159 C CYS A 13 1.705 -0.922 -1.070 1.00 0.00 C ATOM 160 O CYS A 13 2.189 -0.054 -0.353 1.00 0.00 O ATOM 161 CB CYS A 13 -0.692 -0.863 -1.727 1.00 0.00 C ATOM 162 SG CYS A 13 -1.931 -0.590 -3.024 1.00 0.00 S ATOM 163 H CYS A 13 0.238 -1.817 -3.761 1.00 0.00 H ATOM 164 HA CYS A 13 0.792 0.503 -2.364 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.751 -1.898 -1.426 1.00 0.00 H ATOM 166 HB3 CYS A 13 -0.947 -0.232 -0.889 1.00 0.00 H ATOM 167 N ARG A 14 2.038 -2.189 -0.941 1.00 0.00 N ATOM 168 CA ARG A 14 2.986 -2.581 0.099 1.00 0.00 C ATOM 169 C ARG A 14 4.389 -2.436 -0.427 1.00 0.00 C ATOM 170 O ARG A 14 5.379 -2.568 0.287 1.00 0.00 O ATOM 171 CB ARG A 14 2.726 -4.000 0.585 1.00 0.00 C ATOM 172 CG ARG A 14 2.678 -5.045 -0.509 1.00 0.00 C ATOM 173 CD ARG A 14 3.708 -6.113 -0.251 1.00 0.00 C ATOM 174 NE ARG A 14 5.049 -5.635 -0.533 1.00 0.00 N ATOM 175 CZ ARG A 14 6.157 -6.150 -0.013 1.00 0.00 C ATOM 176 NH1 ARG A 14 6.078 -7.086 0.927 1.00 0.00 N ATOM 177 NH2 ARG A 14 7.342 -5.710 -0.418 1.00 0.00 N ATOM 178 H ARG A 14 1.678 -2.865 -1.576 1.00 0.00 H ATOM 179 HA ARG A 14 2.853 -1.897 0.928 1.00 0.00 H ATOM 180 HB2 ARG A 14 3.509 -4.276 1.275 1.00 0.00 H ATOM 181 HB3 ARG A 14 1.787 -4.018 1.105 1.00 0.00 H ATOM 182 HG2 ARG A 14 1.696 -5.495 -0.528 1.00 0.00 H ATOM 183 HG3 ARG A 14 2.885 -4.574 -1.459 1.00 0.00 H ATOM 184 HD2 ARG A 14 3.651 -6.393 0.782 1.00 0.00 H ATOM 185 HD3 ARG A 14 3.496 -6.965 -0.876 1.00 0.00 H ATOM 186 HE ARG A 14 5.130 -4.902 -1.192 1.00 0.00 H ATOM 187 HH11 ARG A 14 5.182 -7.400 1.245 1.00 0.00 H ATOM 188 HH12 ARG A 14 6.909 -7.477 1.321 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.395 -4.990 -1.120 1.00 0.00 H ATOM 190 HH22 ARG A 14 8.183 -6.086 -0.031 1.00 0.00 H ATOM 191 N ASP A 15 4.424 -2.168 -1.701 1.00 0.00 N ATOM 192 CA ASP A 15 5.644 -1.986 -2.441 1.00 0.00 C ATOM 193 C ASP A 15 5.898 -0.510 -2.706 1.00 0.00 C ATOM 194 O ASP A 15 6.700 -0.158 -3.574 1.00 0.00 O ATOM 195 CB ASP A 15 5.523 -2.725 -3.773 1.00 0.00 C ATOM 196 CG ASP A 15 6.122 -4.116 -3.758 1.00 0.00 C ATOM 197 OD1 ASP A 15 5.651 -4.961 -2.975 1.00 0.00 O ATOM 198 OD2 ASP A 15 7.036 -4.391 -4.559 1.00 0.00 O ATOM 199 H ASP A 15 3.576 -2.092 -2.173 1.00 0.00 H ATOM 200 HA ASP A 15 6.457 -2.395 -1.870 1.00 0.00 H ATOM 201 HB2 ASP A 15 4.476 -2.820 -4.019 1.00 0.00 H ATOM 202 HB3 ASP A 15 6.002 -2.149 -4.535 1.00 0.00 H ATOM 203 N HIS A 16 5.200 0.371 -1.992 1.00 0.00 N ATOM 204 CA HIS A 16 5.390 1.788 -2.241 1.00 0.00 C ATOM 205 C HIS A 16 5.142 2.691 -1.040 1.00 0.00 C ATOM 206 O HIS A 16 5.799 3.725 -0.931 1.00 0.00 O ATOM 207 CB HIS A 16 4.507 2.252 -3.397 1.00 0.00 C ATOM 208 CG HIS A 16 5.200 3.214 -4.304 1.00 0.00 C ATOM 209 ND1 HIS A 16 6.328 2.880 -5.024 1.00 0.00 N ATOM 210 CD2 HIS A 16 4.932 4.506 -4.603 1.00 0.00 C ATOM 211 CE1 HIS A 16 6.724 3.925 -5.726 1.00 0.00 C ATOM 212 NE2 HIS A 16 5.895 4.925 -5.489 1.00 0.00 N ATOM 213 H HIS A 16 4.548 0.064 -1.329 1.00 0.00 H ATOM 214 HA HIS A 16 6.414 1.916 -2.539 1.00 0.00 H ATOM 215 HB2 HIS A 16 4.204 1.397 -3.982 1.00 0.00 H ATOM 216 HB3 HIS A 16 3.630 2.740 -2.999 1.00 0.00 H ATOM 217 HD1 HIS A 16 6.774 2.003 -5.017 1.00 0.00 H ATOM 218 HD2 HIS A 16 4.114 5.098 -4.216 1.00 0.00 H ATOM 219 HE1 HIS A 16 7.581 3.957 -6.384 1.00 0.00 H ATOM 220 N ALA A 17 4.190 2.364 -0.165 1.00 0.00 N ATOM 221 CA ALA A 17 3.921 3.276 0.961 1.00 0.00 C ATOM 222 C ALA A 17 3.046 2.718 2.052 1.00 0.00 C ATOM 223 O ALA A 17 2.646 1.563 2.039 1.00 0.00 O ATOM 224 CB ALA A 17 3.295 4.566 0.441 1.00 0.00 C ATOM 225 H ALA A 17 3.656 1.537 -0.291 1.00 0.00 H ATOM 226 HA ALA A 17 4.848 3.536 1.410 1.00 0.00 H ATOM 227 HB1 ALA A 17 3.353 4.585 -0.637 1.00 0.00 H ATOM 228 HB2 ALA A 17 3.827 5.413 0.847 1.00 0.00 H ATOM 229 HB3 ALA A 17 2.259 4.610 0.747 1.00 0.00 H ATOM 230 N ARG A 18 2.779 3.596 3.011 1.00 0.00 N ATOM 231 CA ARG A 18 1.945 3.294 4.157 1.00 0.00 C ATOM 232 C ARG A 18 0.532 3.867 3.978 1.00 0.00 C ATOM 233 O ARG A 18 -0.100 4.271 4.953 1.00 0.00 O ATOM 234 CB ARG A 18 2.602 3.810 5.452 1.00 0.00 C ATOM 235 CG ARG A 18 3.067 5.265 5.403 1.00 0.00 C ATOM 236 CD ARG A 18 1.939 6.237 5.720 1.00 0.00 C ATOM 237 NE ARG A 18 2.369 7.633 5.646 1.00 0.00 N ATOM 238 CZ ARG A 18 1.556 8.671 5.847 1.00 0.00 C ATOM 239 NH1 ARG A 18 0.272 8.466 6.131 1.00 0.00 N ATOM 240 NH2 ARG A 18 2.025 9.912 5.763 1.00 0.00 N ATOM 241 H ARG A 18 3.160 4.494 2.932 1.00 0.00 H ATOM 242 HA ARG A 18 1.866 2.218 4.220 1.00 0.00 H ATOM 243 HB2 ARG A 18 1.891 3.716 6.259 1.00 0.00 H ATOM 244 HB3 ARG A 18 3.459 3.192 5.672 1.00 0.00 H ATOM 245 HG2 ARG A 18 3.856 5.403 6.126 1.00 0.00 H ATOM 246 HG3 ARG A 18 3.444 5.477 4.413 1.00 0.00 H ATOM 247 HD2 ARG A 18 1.139 6.081 5.011 1.00 0.00 H ATOM 248 HD3 ARG A 18 1.578 6.034 6.717 1.00 0.00 H ATOM 249 HE ARG A 18 3.315 7.802 5.437 1.00 0.00 H ATOM 250 HH11 ARG A 18 -0.087 7.531 6.196 1.00 0.00 H ATOM 251 HH12 ARG A 18 -0.343 9.243 6.283 1.00 0.00 H ATOM 252 HH21 ARG A 18 2.991 10.073 5.549 1.00 0.00 H ATOM 253 HH22 ARG A 18 1.416 10.694 5.913 1.00 0.00 H ATOM 254 N CYS A 19 0.031 3.909 2.733 1.00 0.00 N ATOM 255 CA CYS A 19 -1.315 4.445 2.474 1.00 0.00 C ATOM 256 C CYS A 19 -2.369 3.653 3.256 1.00 0.00 C ATOM 257 O CYS A 19 -3.474 4.133 3.488 1.00 0.00 O ATOM 258 CB CYS A 19 -1.690 4.421 0.986 1.00 0.00 C ATOM 259 SG CYS A 19 -0.309 4.170 -0.162 1.00 0.00 S ATOM 260 H CYS A 19 0.572 3.582 1.985 1.00 0.00 H ATOM 261 HA CYS A 19 -1.322 5.469 2.804 1.00 0.00 H ATOM 262 HB2 CYS A 19 -2.395 3.621 0.819 1.00 0.00 H ATOM 263 HB3 CYS A 19 -2.160 5.360 0.732 1.00 0.00 H ATOM 264 N CYS A 20 -2.016 2.428 3.651 1.00 0.00 N ATOM 265 CA CYS A 20 -2.948 1.565 4.412 1.00 0.00 C ATOM 266 C CYS A 20 -2.569 1.526 5.889 1.00 0.00 C ATOM 267 O CYS A 20 -3.373 1.144 6.735 1.00 0.00 O ATOM 268 CB CYS A 20 -2.967 0.145 3.815 1.00 0.00 C ATOM 269 SG CYS A 20 -4.103 -1.083 4.559 1.00 0.00 S ATOM 270 H CYS A 20 -1.090 2.093 3.430 1.00 0.00 H ATOM 271 HA CYS A 20 -3.935 1.995 4.323 1.00 0.00 H ATOM 272 HB2 CYS A 20 -3.234 0.220 2.773 1.00 0.00 H ATOM 273 HB3 CYS A 20 -1.968 -0.262 3.881 1.00 0.00 H HETATM 274 N NH2 A 21 -1.343 1.928 6.198 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -1.039 2.794 5.853 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -0.792 1.342 6.761 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 16 HETATM 1 N PCA A 1 -10.045 -0.136 3.450 1.00 0.00 N HETATM 2 CA PCA A 1 -9.440 1.026 4.158 1.00 0.00 C HETATM 3 CB PCA A 1 -10.513 2.126 4.010 1.00 0.00 C HETATM 4 CG PCA A 1 -11.671 1.508 3.231 1.00 0.00 C HETATM 5 CD PCA A 1 -11.237 0.086 2.941 1.00 0.00 C HETATM 6 OE PCA A 1 -11.911 -0.726 2.325 1.00 0.00 O HETATM 7 C PCA A 1 -7.992 1.360 3.953 1.00 0.00 C HETATM 8 O PCA A 1 -7.486 1.273 2.836 1.00 0.00 O HETATM 9 H1 PCA A 1 -10.812 0.179 2.823 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.431 -0.814 4.134 1.00 0.00 H HETATM 11 H3 PCA A 1 -9.321 -0.615 2.876 1.00 0.00 H HETATM 12 HA PCA A 1 -9.486 0.743 5.199 1.00 0.00 H HETATM 13 HB2 PCA A 1 -10.113 2.966 3.460 1.00 0.00 H HETATM 14 HB3 PCA A 1 -10.858 2.445 4.983 1.00 0.00 H HETATM 15 HG2 PCA A 1 -12.569 1.507 3.833 1.00 0.00 H HETATM 16 HG3 PCA A 1 -11.828 2.045 2.305 1.00 0.00 H ATOM 17 N ASN A 2 -7.316 1.728 5.032 1.00 0.00 N ATOM 18 CA ASN A 2 -5.900 2.067 4.978 1.00 0.00 C ATOM 19 C ASN A 2 -5.068 0.833 4.630 1.00 0.00 C ATOM 20 O ASN A 2 -4.936 -0.091 5.423 1.00 0.00 O ATOM 21 CB ASN A 2 -5.451 2.679 6.311 1.00 0.00 C ATOM 22 CG ASN A 2 -5.933 1.902 7.527 1.00 0.00 C ATOM 23 OD1 ASN A 2 -7.134 1.696 7.715 1.00 0.00 O ATOM 24 ND2 ASN A 2 -5.000 1.472 8.360 1.00 0.00 N ATOM 25 H ASN A 2 -7.776 1.765 5.901 1.00 0.00 H ATOM 26 HA ASN A 2 -5.769 2.800 4.196 1.00 0.00 H ATOM 27 HB2 ASN A 2 -4.371 2.705 6.337 1.00 0.00 H ATOM 28 HB3 ASN A 2 -5.827 3.687 6.376 1.00 0.00 H ATOM 29 HD21 ASN A 2 -4.062 1.675 8.149 1.00 0.00 H ATOM 30 HD22 ASN A 2 -5.280 0.969 9.149 1.00 0.00 H ATOM 31 N CYS A 3 -4.565 0.809 3.406 1.00 0.00 N ATOM 32 CA CYS A 3 -3.789 -0.320 2.896 1.00 0.00 C ATOM 33 C CYS A 3 -2.259 -0.100 2.887 1.00 0.00 C ATOM 34 O CYS A 3 -1.475 -1.026 3.102 1.00 0.00 O ATOM 35 CB CYS A 3 -4.266 -0.617 1.471 1.00 0.00 C ATOM 36 SG CYS A 3 -3.423 -2.011 0.666 1.00 0.00 S ATOM 37 H CYS A 3 -4.755 1.560 2.806 1.00 0.00 H ATOM 38 HA CYS A 3 -4.010 -1.176 3.513 1.00 0.00 H ATOM 39 HB2 CYS A 3 -5.321 -0.845 1.494 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.109 0.260 0.859 1.00 0.00 H ATOM 41 N CYS A 4 -1.858 1.107 2.525 1.00 0.00 N ATOM 42 CA CYS A 4 -0.458 1.479 2.327 1.00 0.00 C ATOM 43 C CYS A 4 0.273 2.042 3.545 1.00 0.00 C ATOM 44 O CYS A 4 0.363 3.249 3.720 1.00 0.00 O ATOM 45 CB CYS A 4 -0.412 2.516 1.219 1.00 0.00 C ATOM 46 SG CYS A 4 -1.747 2.397 -0.003 1.00 0.00 S ATOM 47 H CYS A 4 -2.521 1.751 2.312 1.00 0.00 H ATOM 48 HA CYS A 4 0.068 0.603 1.986 1.00 0.00 H ATOM 49 HB2 CYS A 4 -0.464 3.500 1.659 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.525 2.418 0.690 1.00 0.00 H ATOM 51 N ASN A 5 0.833 1.168 4.341 1.00 0.00 N ATOM 52 CA ASN A 5 1.623 1.560 5.509 1.00 0.00 C ATOM 53 C ASN A 5 2.610 0.456 5.736 1.00 0.00 C ATOM 54 O ASN A 5 3.760 0.660 6.107 1.00 0.00 O ATOM 55 CB ASN A 5 0.768 1.754 6.763 1.00 0.00 C ATOM 56 CG ASN A 5 1.545 2.371 7.910 1.00 0.00 C ATOM 57 OD1 ASN A 5 2.067 3.477 7.793 1.00 0.00 O ATOM 58 ND2 ASN A 5 1.616 1.668 9.030 1.00 0.00 N ATOM 59 H ASN A 5 0.761 0.223 4.119 1.00 0.00 H ATOM 60 HA ASN A 5 2.152 2.473 5.276 1.00 0.00 H ATOM 61 HB2 ASN A 5 -0.062 2.403 6.527 1.00 0.00 H ATOM 62 HB3 ASN A 5 0.386 0.795 7.085 1.00 0.00 H ATOM 63 HD21 ASN A 5 1.169 0.798 9.060 1.00 0.00 H ATOM 64 HD22 ASN A 5 2.111 2.050 9.782 1.00 0.00 H ATOM 65 N GLY A 6 2.117 -0.733 5.468 1.00 0.00 N ATOM 66 CA GLY A 6 2.917 -1.917 5.600 1.00 0.00 C ATOM 67 C GLY A 6 2.246 -3.089 4.953 1.00 0.00 C ATOM 68 O GLY A 6 2.451 -4.231 5.354 1.00 0.00 O ATOM 69 H GLY A 6 1.183 -0.800 5.159 1.00 0.00 H ATOM 70 HA2 GLY A 6 3.867 -1.751 5.124 1.00 0.00 H ATOM 71 HA3 GLY A 6 3.072 -2.129 6.647 1.00 0.00 H ATOM 72 N GLY A 7 1.430 -2.805 3.941 1.00 0.00 N ATOM 73 CA GLY A 7 0.731 -3.866 3.268 1.00 0.00 C ATOM 74 C GLY A 7 -0.457 -4.296 4.076 1.00 0.00 C ATOM 75 O GLY A 7 -0.804 -5.472 4.110 1.00 0.00 O ATOM 76 H GLY A 7 1.290 -1.868 3.661 1.00 0.00 H ATOM 77 HA2 GLY A 7 0.400 -3.517 2.299 1.00 0.00 H ATOM 78 HA3 GLY A 7 1.395 -4.707 3.138 1.00 0.00 H ATOM 79 N CYS A 8 -1.061 -3.309 4.734 1.00 0.00 N ATOM 80 CA CYS A 8 -2.225 -3.521 5.578 1.00 0.00 C ATOM 81 C CYS A 8 -3.263 -4.363 4.830 1.00 0.00 C ATOM 82 O CYS A 8 -3.683 -5.416 5.304 1.00 0.00 O ATOM 83 CB CYS A 8 -2.797 -2.153 6.005 1.00 0.00 C ATOM 84 SG CYS A 8 -1.510 -0.944 6.522 1.00 0.00 S ATOM 85 H CYS A 8 -0.700 -2.404 4.653 1.00 0.00 H ATOM 86 HA CYS A 8 -1.907 -4.061 6.454 1.00 0.00 H ATOM 87 HB2 CYS A 8 -3.340 -1.722 5.177 1.00 0.00 H ATOM 88 HB3 CYS A 8 -3.469 -2.295 6.836 1.00 0.00 H ATOM 89 N SER A 9 -3.640 -3.911 3.641 1.00 0.00 N ATOM 90 CA SER A 9 -4.583 -4.649 2.811 1.00 0.00 C ATOM 91 C SER A 9 -3.860 -5.430 1.696 1.00 0.00 C ATOM 92 O SER A 9 -4.256 -6.542 1.349 1.00 0.00 O ATOM 93 CB SER A 9 -5.635 -3.707 2.227 1.00 0.00 C ATOM 94 OG SER A 9 -6.209 -2.902 3.247 1.00 0.00 O ATOM 95 H SER A 9 -3.250 -3.087 3.302 1.00 0.00 H ATOM 96 HA SER A 9 -5.080 -5.362 3.452 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.173 -3.063 1.493 1.00 0.00 H ATOM 98 HB3 SER A 9 -6.416 -4.286 1.758 1.00 0.00 H ATOM 99 HG SER A 9 -6.056 -3.321 4.101 1.00 0.00 H ATOM 100 N SER A 10 -2.817 -4.823 1.109 1.00 0.00 N ATOM 101 CA SER A 10 -2.070 -5.446 0.010 1.00 0.00 C ATOM 102 C SER A 10 -0.617 -4.946 -0.060 1.00 0.00 C ATOM 103 O SER A 10 -0.266 -3.918 0.520 1.00 0.00 O ATOM 104 CB SER A 10 -2.772 -5.177 -1.323 1.00 0.00 C ATOM 105 OG SER A 10 -4.097 -5.677 -1.316 1.00 0.00 O ATOM 106 H SER A 10 -2.561 -3.927 1.403 1.00 0.00 H ATOM 107 HA SER A 10 -2.059 -6.511 0.186 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.801 -4.114 -1.503 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.223 -5.660 -2.119 1.00 0.00 H ATOM 110 HG SER A 10 -4.271 -6.114 -0.471 1.00 0.00 H ATOM 111 N LYS A 11 0.215 -5.713 -0.768 1.00 0.00 N ATOM 112 CA LYS A 11 1.641 -5.438 -0.936 1.00 0.00 C ATOM 113 C LYS A 11 1.911 -4.105 -1.633 1.00 0.00 C ATOM 114 O LYS A 11 2.693 -3.312 -1.122 1.00 0.00 O ATOM 115 CB LYS A 11 2.286 -6.585 -1.731 1.00 0.00 C ATOM 116 CG LYS A 11 3.791 -6.742 -1.521 1.00 0.00 C ATOM 117 CD LYS A 11 4.597 -5.632 -2.182 1.00 0.00 C ATOM 118 CE LYS A 11 4.511 -5.688 -3.702 1.00 0.00 C ATOM 119 NZ LYS A 11 5.220 -4.545 -4.341 1.00 0.00 N ATOM 120 H LYS A 11 -0.141 -6.511 -1.180 1.00 0.00 H ATOM 121 HA LYS A 11 2.087 -5.409 0.046 1.00 0.00 H ATOM 122 HB2 LYS A 11 1.811 -7.511 -1.446 1.00 0.00 H ATOM 123 HB3 LYS A 11 2.110 -6.414 -2.783 1.00 0.00 H ATOM 124 HG2 LYS A 11 3.995 -6.732 -0.461 1.00 0.00 H ATOM 125 HG3 LYS A 11 4.099 -7.692 -1.935 1.00 0.00 H ATOM 126 HD2 LYS A 11 4.216 -4.679 -1.848 1.00 0.00 H ATOM 127 HD3 LYS A 11 5.627 -5.731 -1.885 1.00 0.00 H ATOM 128 HE2 LYS A 11 4.957 -6.611 -4.042 1.00 0.00 H ATOM 129 HE3 LYS A 11 3.471 -5.663 -3.992 1.00 0.00 H ATOM 130 HZ1 LYS A 11 4.938 -4.452 -5.334 1.00 0.00 H ATOM 131 HZ2 LYS A 11 6.248 -4.687 -4.297 1.00 0.00 H ATOM 132 HZ3 LYS A 11 4.988 -3.651 -3.841 1.00 0.00 H ATOM 133 N TRP A 12 1.277 -3.876 -2.796 1.00 0.00 N ATOM 134 CA TRP A 12 1.467 -2.633 -3.575 1.00 0.00 C ATOM 135 C TRP A 12 1.477 -1.422 -2.673 1.00 0.00 C ATOM 136 O TRP A 12 2.243 -0.482 -2.860 1.00 0.00 O ATOM 137 CB TRP A 12 0.346 -2.481 -4.635 1.00 0.00 C ATOM 138 CG TRP A 12 0.239 -1.103 -5.261 1.00 0.00 C ATOM 139 CD1 TRP A 12 0.717 -0.689 -6.474 1.00 0.00 C ATOM 140 CD2 TRP A 12 -0.394 0.042 -4.680 1.00 0.00 C ATOM 141 NE1 TRP A 12 0.417 0.647 -6.669 1.00 0.00 N ATOM 142 CE2 TRP A 12 -0.266 1.115 -5.572 1.00 0.00 C ATOM 143 CE3 TRP A 12 -1.050 0.241 -3.482 1.00 0.00 C ATOM 144 CZ2 TRP A 12 -0.785 2.387 -5.284 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -1.562 1.488 -3.185 1.00 0.00 C ATOM 146 CH2 TRP A 12 -1.432 2.552 -4.078 1.00 0.00 C ATOM 147 H TRP A 12 0.674 -4.561 -3.144 1.00 0.00 H ATOM 148 HA TRP A 12 2.410 -2.690 -4.068 1.00 0.00 H ATOM 149 HB2 TRP A 12 0.520 -3.187 -5.428 1.00 0.00 H ATOM 150 HB3 TRP A 12 -0.603 -2.707 -4.170 1.00 0.00 H ATOM 151 HD1 TRP A 12 1.250 -1.322 -7.167 1.00 0.00 H ATOM 152 HE1 TRP A 12 0.653 1.173 -7.461 1.00 0.00 H ATOM 153 HE3 TRP A 12 -1.144 -0.574 -2.778 1.00 0.00 H ATOM 154 HZ2 TRP A 12 -0.688 3.214 -5.971 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -2.073 1.649 -2.247 1.00 0.00 H ATOM 156 HH2 TRP A 12 -1.844 3.519 -3.790 1.00 0.00 H ATOM 157 N CYS A 13 0.586 -1.453 -1.727 1.00 0.00 N ATOM 158 CA CYS A 13 0.403 -0.376 -0.799 1.00 0.00 C ATOM 159 C CYS A 13 1.628 -0.068 0.051 1.00 0.00 C ATOM 160 O CYS A 13 1.890 1.087 0.362 1.00 0.00 O ATOM 161 CB CYS A 13 -0.759 -0.737 0.103 1.00 0.00 C ATOM 162 SG CYS A 13 -2.294 -1.149 -0.775 1.00 0.00 S ATOM 163 H CYS A 13 -0.007 -2.228 -1.667 1.00 0.00 H ATOM 164 HA CYS A 13 0.141 0.503 -1.360 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.486 -1.593 0.701 1.00 0.00 H ATOM 166 HB3 CYS A 13 -0.968 0.098 0.756 1.00 0.00 H ATOM 167 N ARG A 14 2.351 -1.077 0.475 1.00 0.00 N ATOM 168 CA ARG A 14 3.489 -0.828 1.356 1.00 0.00 C ATOM 169 C ARG A 14 4.712 -0.263 0.658 1.00 0.00 C ATOM 170 O ARG A 14 5.524 0.412 1.285 1.00 0.00 O ATOM 171 CB ARG A 14 3.873 -2.084 2.093 1.00 0.00 C ATOM 172 CG ARG A 14 4.599 -3.116 1.258 1.00 0.00 C ATOM 173 CD ARG A 14 5.110 -4.219 2.148 1.00 0.00 C ATOM 174 NE ARG A 14 5.955 -3.681 3.215 1.00 0.00 N ATOM 175 CZ ARG A 14 6.091 -4.246 4.412 1.00 0.00 C ATOM 176 NH1 ARG A 14 5.312 -5.266 4.749 1.00 0.00 N ATOM 177 NH2 ARG A 14 6.959 -3.753 5.290 1.00 0.00 N ATOM 178 H ARG A 14 2.102 -2.009 0.222 1.00 0.00 H ATOM 179 HA ARG A 14 3.165 -0.108 2.092 1.00 0.00 H ATOM 180 HB2 ARG A 14 4.509 -1.812 2.920 1.00 0.00 H ATOM 181 HB3 ARG A 14 2.973 -2.530 2.476 1.00 0.00 H ATOM 182 HG2 ARG A 14 3.917 -3.531 0.530 1.00 0.00 H ATOM 183 HG3 ARG A 14 5.434 -2.648 0.757 1.00 0.00 H ATOM 184 HD2 ARG A 14 4.265 -4.726 2.583 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.686 -4.913 1.555 1.00 0.00 H ATOM 186 HE ARG A 14 6.469 -2.867 3.008 1.00 0.00 H ATOM 187 HH11 ARG A 14 4.622 -5.602 4.105 1.00 0.00 H ATOM 188 HH12 ARG A 14 5.405 -5.702 5.647 1.00 0.00 H ATOM 189 HH21 ARG A 14 7.516 -2.952 5.055 1.00 0.00 H ATOM 190 HH22 ARG A 14 7.063 -4.178 6.192 1.00 0.00 H ATOM 191 N ASP A 15 4.876 -0.571 -0.605 1.00 0.00 N ATOM 192 CA ASP A 15 6.040 -0.116 -1.330 1.00 0.00 C ATOM 193 C ASP A 15 5.690 0.971 -2.320 1.00 0.00 C ATOM 194 O ASP A 15 6.466 1.267 -3.230 1.00 0.00 O ATOM 195 CB ASP A 15 6.695 -1.295 -2.050 1.00 0.00 C ATOM 196 CG ASP A 15 5.826 -1.898 -3.139 1.00 0.00 C ATOM 197 OD1 ASP A 15 4.721 -2.387 -2.828 1.00 0.00 O ATOM 198 OD2 ASP A 15 6.255 -1.930 -4.308 1.00 0.00 O ATOM 199 H ASP A 15 4.222 -1.137 -1.058 1.00 0.00 H ATOM 200 HA ASP A 15 6.739 0.281 -0.611 1.00 0.00 H ATOM 201 HB2 ASP A 15 7.609 -0.962 -2.496 1.00 0.00 H ATOM 202 HB3 ASP A 15 6.913 -2.067 -1.325 1.00 0.00 H ATOM 203 N HIS A 16 4.516 1.565 -2.171 1.00 0.00 N ATOM 204 CA HIS A 16 4.110 2.590 -3.092 1.00 0.00 C ATOM 205 C HIS A 16 3.386 3.759 -2.441 1.00 0.00 C ATOM 206 O HIS A 16 3.325 4.827 -3.049 1.00 0.00 O ATOM 207 CB HIS A 16 3.237 1.991 -4.184 1.00 0.00 C ATOM 208 CG HIS A 16 4.002 1.178 -5.185 1.00 0.00 C ATOM 209 ND1 HIS A 16 5.065 1.677 -5.908 1.00 0.00 N ATOM 210 CD2 HIS A 16 3.856 -0.108 -5.577 1.00 0.00 C ATOM 211 CE1 HIS A 16 5.537 0.734 -6.701 1.00 0.00 C ATOM 212 NE2 HIS A 16 4.821 -0.359 -6.520 1.00 0.00 N ATOM 213 H HIS A 16 3.913 1.293 -1.457 1.00 0.00 H ATOM 214 HA HIS A 16 5.005 2.970 -3.553 1.00 0.00 H ATOM 215 HB2 HIS A 16 2.499 1.347 -3.730 1.00 0.00 H ATOM 216 HB3 HIS A 16 2.741 2.784 -4.700 1.00 0.00 H ATOM 217 HD1 HIS A 16 5.434 2.580 -5.831 1.00 0.00 H ATOM 218 HD2 HIS A 16 3.116 -0.809 -5.215 1.00 0.00 H ATOM 219 HE1 HIS A 16 6.369 0.838 -7.381 1.00 0.00 H ATOM 220 N ALA A 17 2.810 3.607 -1.243 1.00 0.00 N ATOM 221 CA ALA A 17 2.095 4.757 -0.679 1.00 0.00 C ATOM 222 C ALA A 17 1.894 4.719 0.819 1.00 0.00 C ATOM 223 O ALA A 17 2.056 3.695 1.467 1.00 0.00 O ATOM 224 CB ALA A 17 0.754 4.920 -1.376 1.00 0.00 C ATOM 225 H ALA A 17 2.842 2.732 -0.756 1.00 0.00 H ATOM 226 HA ALA A 17 2.667 5.632 -0.896 1.00 0.00 H ATOM 227 HB1 ALA A 17 0.706 4.253 -2.224 1.00 0.00 H ATOM 228 HB2 ALA A 17 0.645 5.940 -1.713 1.00 0.00 H ATOM 229 HB3 ALA A 17 -0.042 4.682 -0.686 1.00 0.00 H ATOM 230 N ARG A 18 1.532 5.885 1.346 1.00 0.00 N ATOM 231 CA ARG A 18 1.257 6.059 2.761 1.00 0.00 C ATOM 232 C ARG A 18 -0.259 6.100 3.021 1.00 0.00 C ATOM 233 O ARG A 18 -0.705 6.717 3.987 1.00 0.00 O ATOM 234 CB ARG A 18 1.954 7.326 3.291 1.00 0.00 C ATOM 235 CG ARG A 18 1.673 8.598 2.493 1.00 0.00 C ATOM 236 CD ARG A 18 0.378 9.269 2.926 1.00 0.00 C ATOM 237 NE ARG A 18 0.097 10.485 2.163 1.00 0.00 N ATOM 238 CZ ARG A 18 -0.997 11.230 2.333 1.00 0.00 C ATOM 239 NH1 ARG A 18 -1.912 10.874 3.231 1.00 0.00 N ATOM 240 NH2 ARG A 18 -1.176 12.329 1.606 1.00 0.00 N ATOM 241 H ARG A 18 1.429 6.653 0.749 1.00 0.00 H ATOM 242 HA ARG A 18 1.665 5.201 3.275 1.00 0.00 H ATOM 243 HB2 ARG A 18 1.633 7.495 4.308 1.00 0.00 H ATOM 244 HB3 ARG A 18 3.021 7.157 3.289 1.00 0.00 H ATOM 245 HG2 ARG A 18 2.488 9.289 2.640 1.00 0.00 H ATOM 246 HG3 ARG A 18 1.602 8.342 1.445 1.00 0.00 H ATOM 247 HD2 ARG A 18 -0.436 8.573 2.785 1.00 0.00 H ATOM 248 HD3 ARG A 18 0.454 9.522 3.973 1.00 0.00 H ATOM 249 HE ARG A 18 0.762 10.760 1.494 1.00 0.00 H ATOM 250 HH11 ARG A 18 -1.782 10.046 3.782 1.00 0.00 H ATOM 251 HH12 ARG A 18 -2.735 11.431 3.364 1.00 0.00 H ATOM 252 HH21 ARG A 18 -0.491 12.602 0.927 1.00 0.00 H ATOM 253 HH22 ARG A 18 -1.997 12.890 1.732 1.00 0.00 H ATOM 254 N CYS A 19 -1.055 5.465 2.146 1.00 0.00 N ATOM 255 CA CYS A 19 -2.520 5.471 2.301 1.00 0.00 C ATOM 256 C CYS A 19 -2.942 4.884 3.649 1.00 0.00 C ATOM 257 O CYS A 19 -4.006 5.206 4.170 1.00 0.00 O ATOM 258 CB CYS A 19 -3.238 4.685 1.199 1.00 0.00 C ATOM 259 SG CYS A 19 -2.246 4.339 -0.276 1.00 0.00 S ATOM 260 H CYS A 19 -0.655 5.003 1.380 1.00 0.00 H ATOM 261 HA CYS A 19 -2.842 6.496 2.241 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.558 3.736 1.600 1.00 0.00 H ATOM 263 HB3 CYS A 19 -4.108 5.243 0.884 1.00 0.00 H ATOM 264 N CYS A 20 -2.111 4.003 4.198 1.00 0.00 N ATOM 265 CA CYS A 20 -2.421 3.358 5.489 1.00 0.00 C ATOM 266 C CYS A 20 -1.675 4.037 6.633 1.00 0.00 C ATOM 267 O CYS A 20 -1.995 3.835 7.801 1.00 0.00 O ATOM 268 CB CYS A 20 -2.082 1.856 5.419 1.00 0.00 C ATOM 269 SG CYS A 20 -2.479 0.824 6.877 1.00 0.00 S ATOM 270 H CYS A 20 -1.254 3.777 3.719 1.00 0.00 H ATOM 271 HA CYS A 20 -3.482 3.467 5.660 1.00 0.00 H ATOM 272 HB2 CYS A 20 -2.612 1.428 4.584 1.00 0.00 H ATOM 273 HB3 CYS A 20 -1.021 1.758 5.236 1.00 0.00 H HETATM 274 N NH2 A 21 -0.682 4.849 6.295 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -0.846 5.517 5.596 1.00 0.00 H HETATM 276 HN2 NH2 A 21 0.176 4.749 6.761 1.00 0.00 H TER 277 NH2 A 21 ENDMDL MODEL 17 HETATM 1 N PCA A 1 -10.570 -0.462 2.957 1.00 0.00 N HETATM 2 CA PCA A 1 -9.976 0.650 2.163 1.00 0.00 C HETATM 3 CB PCA A 1 -10.655 0.498 0.784 1.00 0.00 C HETATM 4 CG PCA A 1 -11.605 -0.691 0.891 1.00 0.00 C HETATM 5 CD PCA A 1 -11.445 -1.199 2.308 1.00 0.00 C HETATM 6 OE PCA A 1 -12.051 -2.155 2.769 1.00 0.00 O HETATM 7 C PCA A 1 -8.504 0.934 2.243 1.00 0.00 C HETATM 8 O PCA A 1 -7.836 1.089 1.224 1.00 0.00 O HETATM 9 H1 PCA A 1 -9.835 -0.922 3.531 1.00 0.00 H HETATM 10 H2 PCA A 1 -10.993 -1.174 2.327 1.00 0.00 H HETATM 11 H3 PCA A 1 -11.309 -0.098 3.589 1.00 0.00 H HETATM 12 HA PCA A 1 -10.424 1.537 2.588 1.00 0.00 H HETATM 13 HB2 PCA A 1 -9.912 0.304 0.023 1.00 0.00 H HETATM 14 HB3 PCA A 1 -11.214 1.391 0.543 1.00 0.00 H HETATM 15 HG2 PCA A 1 -12.625 -0.372 0.723 1.00 0.00 H HETATM 16 HG3 PCA A 1 -11.322 -1.460 0.186 1.00 0.00 H ATOM 17 N ASN A 2 -7.989 0.990 3.463 1.00 0.00 N ATOM 18 CA ASN A 2 -6.573 1.244 3.692 1.00 0.00 C ATOM 19 C ASN A 2 -5.736 0.058 3.218 1.00 0.00 C ATOM 20 O ASN A 2 -5.722 -1.000 3.836 1.00 0.00 O ATOM 21 CB ASN A 2 -6.325 1.534 5.177 1.00 0.00 C ATOM 22 CG ASN A 2 -6.976 0.521 6.106 1.00 0.00 C ATOM 23 OD1 ASN A 2 -8.190 0.295 6.052 1.00 0.00 O ATOM 24 ND2 ASN A 2 -6.176 -0.088 6.965 1.00 0.00 N ATOM 25 H ASN A 2 -8.571 0.848 4.241 1.00 0.00 H ATOM 26 HA ASN A 2 -6.298 2.114 3.114 1.00 0.00 H ATOM 27 HB2 ASN A 2 -5.261 1.523 5.362 1.00 0.00 H ATOM 28 HB3 ASN A 2 -6.710 2.513 5.410 1.00 0.00 H ATOM 29 HD21 ASN A 2 -5.220 0.145 6.953 1.00 0.00 H ATOM 30 HD22 ASN A 2 -6.563 -0.746 7.575 1.00 0.00 H ATOM 31 N CYS A 3 -5.089 0.232 2.077 1.00 0.00 N ATOM 32 CA CYS A 3 -4.283 -0.822 1.467 1.00 0.00 C ATOM 33 C CYS A 3 -2.757 -0.664 1.671 1.00 0.00 C ATOM 34 O CYS A 3 -2.020 -1.646 1.775 1.00 0.00 O ATOM 35 CB CYS A 3 -4.601 -0.860 -0.030 1.00 0.00 C ATOM 36 SG CYS A 3 -3.706 -2.142 -0.953 1.00 0.00 S ATOM 37 H CYS A 3 -5.185 1.087 1.608 1.00 0.00 H ATOM 38 HA CYS A 3 -4.591 -1.760 1.901 1.00 0.00 H ATOM 39 HB2 CYS A 3 -5.657 -1.041 -0.160 1.00 0.00 H ATOM 40 HB3 CYS A 3 -4.350 0.096 -0.467 1.00 0.00 H ATOM 41 N CYS A 4 -2.290 0.575 1.625 1.00 0.00 N ATOM 42 CA CYS A 4 -0.867 0.912 1.680 1.00 0.00 C ATOM 43 C CYS A 4 -0.295 1.174 3.072 1.00 0.00 C ATOM 44 O CYS A 4 -0.217 2.312 3.511 1.00 0.00 O ATOM 45 CB CYS A 4 -0.644 2.161 0.849 1.00 0.00 C ATOM 46 SG CYS A 4 -1.708 2.344 -0.606 1.00 0.00 S ATOM 47 H CYS A 4 -2.909 1.281 1.487 1.00 0.00 H ATOM 48 HA CYS A 4 -0.318 0.104 1.225 1.00 0.00 H ATOM 49 HB2 CYS A 4 -0.807 3.026 1.473 1.00 0.00 H ATOM 50 HB3 CYS A 4 0.379 2.169 0.506 1.00 0.00 H ATOM 51 N ASN A 5 0.149 0.135 3.727 1.00 0.00 N ATOM 52 CA ASN A 5 0.781 0.251 5.043 1.00 0.00 C ATOM 53 C ASN A 5 1.730 -0.901 5.151 1.00 0.00 C ATOM 54 O ASN A 5 2.812 -0.821 5.724 1.00 0.00 O ATOM 55 CB ASN A 5 -0.234 0.206 6.188 1.00 0.00 C ATOM 56 CG ASN A 5 0.386 0.540 7.532 1.00 0.00 C ATOM 57 OD1 ASN A 5 0.925 1.627 7.724 1.00 0.00 O ATOM 58 ND2 ASN A 5 0.303 -0.387 8.473 1.00 0.00 N ATOM 59 H ASN A 5 0.098 -0.739 3.305 1.00 0.00 H ATOM 60 HA ASN A 5 1.336 1.179 5.076 1.00 0.00 H ATOM 61 HB2 ASN A 5 -1.019 0.921 5.991 1.00 0.00 H ATOM 62 HB3 ASN A 5 -0.664 -0.784 6.245 1.00 0.00 H ATOM 63 HD21 ASN A 5 -0.148 -1.228 8.259 1.00 0.00 H ATOM 64 HD22 ASN A 5 0.696 -0.190 9.348 1.00 0.00 H ATOM 65 N GLY A 6 1.291 -1.980 4.544 1.00 0.00 N ATOM 66 CA GLY A 6 2.067 -3.186 4.509 1.00 0.00 C ATOM 67 C GLY A 6 1.459 -4.177 3.565 1.00 0.00 C ATOM 68 O GLY A 6 1.606 -5.383 3.739 1.00 0.00 O ATOM 69 H GLY A 6 0.415 -1.946 4.094 1.00 0.00 H ATOM 70 HA2 GLY A 6 3.062 -2.951 4.177 1.00 0.00 H ATOM 71 HA3 GLY A 6 2.110 -3.616 5.498 1.00 0.00 H ATOM 72 N GLY A 7 0.760 -3.662 2.556 1.00 0.00 N ATOM 73 CA GLY A 7 0.123 -4.536 1.609 1.00 0.00 C ATOM 74 C GLY A 7 -1.155 -5.074 2.184 1.00 0.00 C ATOM 75 O GLY A 7 -1.517 -6.220 1.946 1.00 0.00 O ATOM 76 H GLY A 7 0.661 -2.683 2.467 1.00 0.00 H ATOM 77 HA2 GLY A 7 -0.093 -3.985 0.704 1.00 0.00 H ATOM 78 HA3 GLY A 7 0.783 -5.358 1.380 1.00 0.00 H ATOM 79 N CYS A 8 -1.817 -4.214 2.958 1.00 0.00 N ATOM 80 CA CYS A 8 -3.072 -4.547 3.615 1.00 0.00 C ATOM 81 C CYS A 8 -4.021 -5.218 2.617 1.00 0.00 C ATOM 82 O CYS A 8 -4.488 -6.332 2.842 1.00 0.00 O ATOM 83 CB CYS A 8 -3.687 -3.264 4.215 1.00 0.00 C ATOM 84 SG CYS A 8 -2.478 -2.221 5.130 1.00 0.00 S ATOM 85 H CYS A 8 -1.437 -3.325 3.099 1.00 0.00 H ATOM 86 HA CYS A 8 -2.857 -5.241 4.410 1.00 0.00 H ATOM 87 HB2 CYS A 8 -4.102 -2.664 3.419 1.00 0.00 H ATOM 88 HB3 CYS A 8 -4.472 -3.537 4.902 1.00 0.00 H ATOM 89 N SER A 9 -4.266 -4.550 1.499 1.00 0.00 N ATOM 90 CA SER A 9 -5.109 -5.106 0.451 1.00 0.00 C ATOM 91 C SER A 9 -4.261 -5.683 -0.701 1.00 0.00 C ATOM 92 O SER A 9 -4.608 -6.709 -1.283 1.00 0.00 O ATOM 93 CB SER A 9 -6.090 -4.052 -0.061 1.00 0.00 C ATOM 94 OG SER A 9 -6.782 -3.446 1.022 1.00 0.00 O ATOM 95 H SER A 9 -3.842 -3.685 1.361 1.00 0.00 H ATOM 96 HA SER A 9 -5.672 -5.915 0.891 1.00 0.00 H ATOM 97 HB2 SER A 9 -5.550 -3.289 -0.601 1.00 0.00 H ATOM 98 HB3 SER A 9 -6.810 -4.519 -0.717 1.00 0.00 H ATOM 99 HG SER A 9 -6.876 -4.087 1.733 1.00 0.00 H ATOM 100 N SER A 10 -3.164 -4.994 -1.047 1.00 0.00 N ATOM 101 CA SER A 10 -2.291 -5.416 -2.147 1.00 0.00 C ATOM 102 C SER A 10 -0.849 -4.910 -1.966 1.00 0.00 C ATOM 103 O SER A 10 -0.587 -3.996 -1.182 1.00 0.00 O ATOM 104 CB SER A 10 -2.847 -4.919 -3.484 1.00 0.00 C ATOM 105 OG SER A 10 -4.156 -5.411 -3.711 1.00 0.00 O ATOM 106 H SER A 10 -2.950 -4.169 -0.567 1.00 0.00 H ATOM 107 HA SER A 10 -2.278 -6.496 -2.157 1.00 0.00 H ATOM 108 HB2 SER A 10 -2.877 -3.841 -3.479 1.00 0.00 H ATOM 109 HB3 SER A 10 -2.205 -5.257 -4.284 1.00 0.00 H ATOM 110 HG SER A 10 -4.418 -5.983 -2.975 1.00 0.00 H ATOM 111 N LYS A 11 0.073 -5.540 -2.696 1.00 0.00 N ATOM 112 CA LYS A 11 1.501 -5.232 -2.649 1.00 0.00 C ATOM 113 C LYS A 11 1.832 -3.813 -3.116 1.00 0.00 C ATOM 114 O LYS A 11 2.613 -3.131 -2.459 1.00 0.00 O ATOM 115 CB LYS A 11 2.265 -6.247 -3.501 1.00 0.00 C ATOM 116 CG LYS A 11 3.770 -6.036 -3.509 1.00 0.00 C ATOM 117 CD LYS A 11 4.463 -6.982 -4.476 1.00 0.00 C ATOM 118 CE LYS A 11 4.359 -8.432 -4.027 1.00 0.00 C ATOM 119 NZ LYS A 11 5.060 -9.353 -4.965 1.00 0.00 N ATOM 120 H LYS A 11 -0.216 -6.256 -3.279 1.00 0.00 H ATOM 121 HA LYS A 11 1.823 -5.337 -1.624 1.00 0.00 H ATOM 122 HB2 LYS A 11 2.066 -7.239 -3.122 1.00 0.00 H ATOM 123 HB3 LYS A 11 1.910 -6.184 -4.519 1.00 0.00 H ATOM 124 HG2 LYS A 11 3.979 -5.019 -3.805 1.00 0.00 H ATOM 125 HG3 LYS A 11 4.152 -6.209 -2.513 1.00 0.00 H ATOM 126 HD2 LYS A 11 4.005 -6.885 -5.448 1.00 0.00 H ATOM 127 HD3 LYS A 11 5.502 -6.708 -4.539 1.00 0.00 H ATOM 128 HE2 LYS A 11 4.803 -8.525 -3.047 1.00 0.00 H ATOM 129 HE3 LYS A 11 3.316 -8.706 -3.977 1.00 0.00 H ATOM 130 HZ1 LYS A 11 4.374 -9.798 -5.609 1.00 0.00 H ATOM 131 HZ2 LYS A 11 5.552 -10.099 -4.433 1.00 0.00 H ATOM 132 HZ3 LYS A 11 5.758 -8.827 -5.528 1.00 0.00 H ATOM 133 N TRP A 12 1.248 -3.383 -4.244 1.00 0.00 N ATOM 134 CA TRP A 12 1.497 -2.036 -4.797 1.00 0.00 C ATOM 135 C TRP A 12 1.412 -0.988 -3.713 1.00 0.00 C ATOM 136 O TRP A 12 2.151 -0.010 -3.693 1.00 0.00 O ATOM 137 CB TRP A 12 0.477 -1.716 -5.921 1.00 0.00 C ATOM 138 CG TRP A 12 0.367 -0.248 -6.290 1.00 0.00 C ATOM 139 CD1 TRP A 12 0.939 0.399 -7.350 1.00 0.00 C ATOM 140 CD2 TRP A 12 -0.366 0.749 -5.573 1.00 0.00 C ATOM 141 NE1 TRP A 12 0.598 1.739 -7.324 1.00 0.00 N ATOM 142 CE2 TRP A 12 -0.202 1.975 -6.231 1.00 0.00 C ATOM 143 CE3 TRP A 12 -1.138 0.700 -4.430 1.00 0.00 C ATOM 144 CZ2 TRP A 12 -0.799 3.157 -5.762 1.00 0.00 C ATOM 145 CZ3 TRP A 12 -1.726 1.855 -3.955 1.00 0.00 C ATOM 146 CH2 TRP A 12 -1.559 3.073 -4.615 1.00 0.00 C ATOM 147 H TRP A 12 0.640 -3.981 -4.720 1.00 0.00 H ATOM 148 HA TRP A 12 2.482 -2.019 -5.198 1.00 0.00 H ATOM 149 HB2 TRP A 12 0.758 -2.254 -6.809 1.00 0.00 H ATOM 150 HB3 TRP A 12 -0.501 -2.051 -5.606 1.00 0.00 H ATOM 151 HD1 TRP A 12 1.560 -0.078 -8.092 1.00 0.00 H ATOM 152 HE1 TRP A 12 0.882 2.411 -7.978 1.00 0.00 H ATOM 153 HE3 TRP A 12 -1.265 -0.238 -3.906 1.00 0.00 H ATOM 154 HZ2 TRP A 12 -0.673 4.102 -6.269 1.00 0.00 H ATOM 155 HZ3 TRP A 12 -2.327 1.822 -3.058 1.00 0.00 H ATOM 156 HH2 TRP A 12 -2.034 3.959 -4.191 1.00 0.00 H ATOM 157 N CYS A 13 0.471 -1.195 -2.842 1.00 0.00 N ATOM 158 CA CYS A 13 0.205 -0.284 -1.770 1.00 0.00 C ATOM 159 C CYS A 13 1.349 -0.148 -0.774 1.00 0.00 C ATOM 160 O CYS A 13 1.613 0.939 -0.278 1.00 0.00 O ATOM 161 CB CYS A 13 -1.035 -0.769 -1.051 1.00 0.00 C ATOM 162 SG CYS A 13 -2.448 -1.103 -2.143 1.00 0.00 S ATOM 163 H CYS A 13 -0.100 -1.983 -2.943 1.00 0.00 H ATOM 164 HA CYS A 13 -0.002 0.682 -2.197 1.00 0.00 H ATOM 165 HB2 CYS A 13 -0.803 -1.684 -0.527 1.00 0.00 H ATOM 166 HB3 CYS A 13 -1.342 -0.020 -0.336 1.00 0.00 H ATOM 167 N ARG A 14 1.995 -1.241 -0.437 1.00 0.00 N ATOM 168 CA ARG A 14 3.048 -1.182 0.577 1.00 0.00 C ATOM 169 C ARG A 14 4.318 -0.476 0.129 1.00 0.00 C ATOM 170 O ARG A 14 5.041 0.075 0.955 1.00 0.00 O ATOM 171 CB ARG A 14 3.387 -2.565 1.073 1.00 0.00 C ATOM 172 CG ARG A 14 4.231 -3.394 0.128 1.00 0.00 C ATOM 173 CD ARG A 14 4.679 -4.655 0.822 1.00 0.00 C ATOM 174 NE ARG A 14 5.384 -4.346 2.067 1.00 0.00 N ATOM 175 CZ ARG A 14 5.396 -5.144 3.134 1.00 0.00 C ATOM 176 NH1 ARG A 14 4.614 -6.215 3.163 1.00 0.00 N ATOM 177 NH2 ARG A 14 6.142 -4.837 4.191 1.00 0.00 N ATOM 178 H ARG A 14 1.739 -2.111 -0.847 1.00 0.00 H ATOM 179 HA ARG A 14 2.646 -0.632 1.413 1.00 0.00 H ATOM 180 HB2 ARG A 14 3.920 -2.472 2.006 1.00 0.00 H ATOM 181 HB3 ARG A 14 2.463 -3.088 1.249 1.00 0.00 H ATOM 182 HG2 ARG A 14 3.644 -3.654 -0.741 1.00 0.00 H ATOM 183 HG3 ARG A 14 5.099 -2.824 -0.170 1.00 0.00 H ATOM 184 HD2 ARG A 14 3.810 -5.252 1.044 1.00 0.00 H ATOM 185 HD3 ARG A 14 5.340 -5.203 0.167 1.00 0.00 H ATOM 186 HE ARG A 14 5.899 -3.507 2.091 1.00 0.00 H ATOM 187 HH11 ARG A 14 4.014 -6.417 2.386 1.00 0.00 H ATOM 188 HH12 ARG A 14 4.613 -6.824 3.959 1.00 0.00 H ATOM 189 HH21 ARG A 14 6.700 -4.003 4.190 1.00 0.00 H ATOM 190 HH22 ARG A 14 6.152 -5.437 4.994 1.00 0.00 H ATOM 191 N ASP A 15 4.613 -0.527 -1.148 1.00 0.00 N ATOM 192 CA ASP A 15 5.826 0.079 -1.658 1.00 0.00 C ATOM 193 C ASP A 15 5.549 1.455 -2.240 1.00 0.00 C ATOM 194 O ASP A 15 6.467 2.236 -2.483 1.00 0.00 O ATOM 195 CB ASP A 15 6.450 -0.833 -2.718 1.00 0.00 C ATOM 196 CG ASP A 15 5.809 -0.678 -4.082 1.00 0.00 C ATOM 197 OD1 ASP A 15 4.663 -1.143 -4.265 1.00 0.00 O ATOM 198 OD2 ASP A 15 6.431 -0.062 -4.967 1.00 0.00 O ATOM 199 H ASP A 15 4.022 -1.000 -1.763 1.00 0.00 H ATOM 200 HA ASP A 15 6.516 0.181 -0.836 1.00 0.00 H ATOM 201 HB2 ASP A 15 7.493 -0.601 -2.806 1.00 0.00 H ATOM 202 HB3 ASP A 15 6.341 -1.861 -2.405 1.00 0.00 H ATOM 203 N HIS A 16 4.282 1.739 -2.500 1.00 0.00 N ATOM 204 CA HIS A 16 3.917 3.004 -3.098 1.00 0.00 C ATOM 205 C HIS A 16 3.420 4.060 -2.120 1.00 0.00 C ATOM 206 O HIS A 16 3.610 5.246 -2.392 1.00 0.00 O ATOM 207 CB HIS A 16 2.883 2.803 -4.201 1.00 0.00 C ATOM 208 CG HIS A 16 3.475 2.383 -5.511 1.00 0.00 C ATOM 209 ND1 HIS A 16 4.030 1.141 -5.735 1.00 0.00 N ATOM 210 CD2 HIS A 16 3.603 3.061 -6.675 1.00 0.00 C ATOM 211 CE1 HIS A 16 4.472 1.073 -6.975 1.00 0.00 C ATOM 212 NE2 HIS A 16 4.225 2.225 -7.569 1.00 0.00 N ATOM 213 H HIS A 16 3.588 1.073 -2.317 1.00 0.00 H ATOM 214 HA HIS A 16 4.809 3.390 -3.558 1.00 0.00 H ATOM 215 HB2 HIS A 16 2.184 2.040 -3.893 1.00 0.00 H ATOM 216 HB3 HIS A 16 2.351 3.727 -4.355 1.00 0.00 H ATOM 217 HD1 HIS A 16 4.117 0.411 -5.068 1.00 0.00 H ATOM 218 HD2 HIS A 16 3.277 4.073 -6.865 1.00 0.00 H ATOM 219 HE1 HIS A 16 4.953 0.219 -7.428 1.00 0.00 H ATOM 220 N ALA A 17 2.762 3.694 -1.012 1.00 0.00 N ATOM 221 CA ALA A 17 2.263 4.761 -0.124 1.00 0.00 C ATOM 222 C ALA A 17 1.781 4.318 1.235 1.00 0.00 C ATOM 223 O ALA A 17 1.792 3.145 1.582 1.00 0.00 O ATOM 224 CB ALA A 17 1.144 5.531 -0.818 1.00 0.00 C ATOM 225 H ALA A 17 2.596 2.729 -0.808 1.00 0.00 H ATOM 226 HA ALA A 17 3.058 5.450 0.040 1.00 0.00 H ATOM 227 HB1 ALA A 17 1.242 6.584 -0.601 1.00 0.00 H ATOM 228 HB2 ALA A 17 0.188 5.177 -0.460 1.00 0.00 H ATOM 229 HB3 ALA A 17 1.208 5.376 -1.885 1.00 0.00 H ATOM 230 N ARG A 18 1.359 5.325 1.997 1.00 0.00 N ATOM 231 CA ARG A 18 0.827 5.146 3.334 1.00 0.00 C ATOM 232 C ARG A 18 -0.708 5.236 3.332 1.00 0.00 C ATOM 233 O ARG A 18 -1.302 5.678 4.315 1.00 0.00 O ATOM 234 CB ARG A 18 1.450 6.170 4.303 1.00 0.00 C ATOM 235 CG ARG A 18 1.442 7.614 3.806 1.00 0.00 C ATOM 236 CD ARG A 18 0.093 8.286 4.017 1.00 0.00 C ATOM 237 NE ARG A 18 0.071 9.659 3.511 1.00 0.00 N ATOM 238 CZ ARG A 18 -1.006 10.447 3.544 1.00 0.00 C ATOM 239 NH1 ARG A 18 -2.145 9.998 4.065 1.00 0.00 N ATOM 240 NH2 ARG A 18 -0.942 11.683 3.059 1.00 0.00 N ATOM 241 H ARG A 18 1.398 6.229 1.626 1.00 0.00 H ATOM 242 HA ARG A 18 1.105 4.154 3.658 1.00 0.00 H ATOM 243 HB2 ARG A 18 0.906 6.136 5.235 1.00 0.00 H ATOM 244 HB3 ARG A 18 2.475 5.885 4.490 1.00 0.00 H ATOM 245 HG2 ARG A 18 2.194 8.172 4.343 1.00 0.00 H ATOM 246 HG3 ARG A 18 1.675 7.620 2.751 1.00 0.00 H ATOM 247 HD2 ARG A 18 -0.664 7.713 3.502 1.00 0.00 H ATOM 248 HD3 ARG A 18 -0.126 8.299 5.074 1.00 0.00 H ATOM 249 HE ARG A 18 0.905 10.009 3.127 1.00 0.00 H ATOM 250 HH11 ARG A 18 -2.197 9.066 4.435 1.00 0.00 H ATOM 251 HH12 ARG A 18 -2.955 10.586 4.093 1.00 0.00 H ATOM 252 HH21 ARG A 18 -0.086 12.027 2.667 1.00 0.00 H ATOM 253 HH22 ARG A 18 -1.748 12.277 3.082 1.00 0.00 H ATOM 254 N CYS A 19 -1.355 4.830 2.228 1.00 0.00 N ATOM 255 CA CYS A 19 -2.824 4.890 2.135 1.00 0.00 C ATOM 256 C CYS A 19 -3.472 4.055 3.245 1.00 0.00 C ATOM 257 O CYS A 19 -4.633 4.254 3.587 1.00 0.00 O ATOM 258 CB CYS A 19 -3.354 4.392 0.786 1.00 0.00 C ATOM 259 SG CYS A 19 -2.129 4.319 -0.549 1.00 0.00 S ATOM 260 H CYS A 19 -0.839 4.496 1.464 1.00 0.00 H ATOM 261 HA CYS A 19 -3.112 5.920 2.247 1.00 0.00 H ATOM 262 HB2 CYS A 19 -3.749 3.396 0.913 1.00 0.00 H ATOM 263 HB3 CYS A 19 -4.151 5.046 0.463 1.00 0.00 H ATOM 264 N CYS A 20 -2.710 3.108 3.790 1.00 0.00 N ATOM 265 CA CYS A 20 -3.220 2.228 4.862 1.00 0.00 C ATOM 266 C CYS A 20 -2.650 2.634 6.218 1.00 0.00 C ATOM 267 O CYS A 20 -3.170 2.246 7.261 1.00 0.00 O ATOM 268 CB CYS A 20 -2.881 0.759 4.543 1.00 0.00 C ATOM 269 SG CYS A 20 -3.478 -0.527 5.701 1.00 0.00 S ATOM 270 H CYS A 20 -1.765 2.997 3.460 1.00 0.00 H ATOM 271 HA CYS A 20 -4.293 2.340 4.893 1.00 0.00 H ATOM 272 HB2 CYS A 20 -3.294 0.519 3.576 1.00 0.00 H ATOM 273 HB3 CYS A 20 -1.805 0.665 4.486 1.00 0.00 H HETATM 274 N NH2 A 21 -1.583 3.421 6.201 1.00 0.00 N HETATM 275 HN1 NH2 A 21 -1.618 4.237 5.658 1.00 0.00 H HETATM 276 HN2 NH2 A 21 -0.804 3.156 6.736 1.00 0.00 H TER 277 NH2 A 21 ENDMDL CONECT 1 2 5 CONECT 2 1 3 7 12 CONECT 3 2 4 13 14 CONECT 4 3 5 15 16 CONECT 5 1 4 6 CONECT 6 5 CONECT 7 2 8 17 CONECT 8 7 CONECT 12 2 CONECT 13 3 CONECT 14 3 CONECT 15 4 CONECT 16 4 CONECT 17 7 CONECT 36 162 CONECT 46 259 CONECT 84 269 CONECT 162 36 CONECT 259 46 CONECT 269 84 CONECT 274 275 276 CONECT 275 274 CONECT 276 274 MASTER 176 0 2 1 0 0 0 6 149 1 23 2 END