HEADER TOXIN 28-MAY-08 SMS20023 TITLE STRUCTURE, DYNAMICS AND SELECTIVITY OF THE SODIUM CHANNEL BLOCKER MU- TITLE 2 CONOTOXIN SIIIA 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: CHEMICAL SYNTHESIZED KEYWDS MU-CONOTOXIN, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR S.YAO,M.-M.ZHANG,D.YOSHIKAMI,L.AZAM,B.M.OLIVERA,G.BULAJ,R.S.NORTON JRNL AUTH S.YAO,M.-M.ZHANG,D.YOSHIKAMI,L.AZAM,B.M.OLIVERA,G.BULAJ, JRNL AUTH 2 R.S.NORTON JRNL TITL STRUCTURE, DYNAMICS, AND SELECTIVITY OF THE SODIUM CHANNEL JRNL TITL 2 BLOCKER MU-CONOTOXIN SIIIA JRNL REF BIOCHEMISTRY V. 47 10940 2008 JRNL REFN ISSN 0006-2960 JRNL PMID 18798648 JRNL DOI 10.1021/BI801010U REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA, X-PLOR_NIH REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH (CYANA), REMARK 3 SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE (X-PLOR_ REMARK 3 NIH) 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 13-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20023. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 283; 310 REMARK 210 PH : 4.2; 4.2; 4.2 REMARK 210 IONIC STRENGTH : NULL; NULL; NULL REMARK 210 PRESSURE : NULL; NULL; NULL REMARK 210 SAMPLE CONTENTS : 0.9MM SIIIA; 95% H2O/5% D2O; REMARK 210 0.9MM SIIIA; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D REMARK 210 1H-1H NOESY; 2D 1H-15N HSQC; 2D REMARK 210 1H-13C HSQC; 2D 1H-13C HMQC; 2D REMARK 210 1H-13C HMQC-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE; DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 1.3, XEASY 1.3, CYANA, X REMARK 210 -PLOR_NIH REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 400 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 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 O HIS A 16 HH21 ARG A 18 1.59 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 6 ARG A 18 27.62 -77.55 REMARK 500 8 ASN A 2 46.43 -77.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 1 ARG A 14 0.27 SIDE CHAIN REMARK 500 1 ARG A 18 0.30 SIDE CHAIN REMARK 500 2 ARG A 14 0.31 SIDE CHAIN REMARK 500 2 ARG A 18 0.31 SIDE CHAIN REMARK 500 3 ARG A 14 0.28 SIDE CHAIN REMARK 500 3 ARG A 18 0.31 SIDE CHAIN REMARK 500 4 ARG A 14 0.24 SIDE CHAIN REMARK 500 4 ARG A 18 0.31 SIDE CHAIN REMARK 500 5 ARG A 14 0.28 SIDE CHAIN REMARK 500 5 ARG A 18 0.31 SIDE CHAIN REMARK 500 6 ARG A 14 0.28 SIDE CHAIN REMARK 500 6 ARG A 18 0.31 SIDE CHAIN REMARK 500 7 ARG A 14 0.25 SIDE CHAIN REMARK 500 7 ARG A 18 0.31 SIDE CHAIN REMARK 500 8 ARG A 14 0.28 SIDE CHAIN REMARK 500 8 ARG A 18 0.31 SIDE CHAIN REMARK 500 9 ARG A 14 0.31 SIDE CHAIN REMARK 500 9 ARG A 18 0.28 SIDE CHAIN REMARK 500 10 ARG A 14 0.30 SIDE CHAIN REMARK 500 10 ARG A 18 0.30 SIDE CHAIN REMARK 500 11 ARG A 14 0.31 SIDE CHAIN REMARK 500 11 ARG A 18 0.31 SIDE CHAIN REMARK 500 12 ARG A 14 0.31 SIDE CHAIN REMARK 500 12 ARG A 18 0.22 SIDE CHAIN REMARK 500 13 ARG A 14 0.30 SIDE CHAIN REMARK 500 13 ARG A 18 0.28 SIDE CHAIN REMARK 500 14 ARG A 14 0.31 SIDE CHAIN REMARK 500 14 ARG A 18 0.30 SIDE CHAIN REMARK 500 15 ARG A 14 0.31 SIDE CHAIN REMARK 500 15 ARG A 18 0.30 SIDE CHAIN REMARK 500 16 ARG A 14 0.30 SIDE CHAIN REMARK 500 16 ARG A 18 0.27 SIDE CHAIN REMARK 500 17 ARG A 14 0.28 SIDE CHAIN REMARK 500 17 ARG A 18 0.30 SIDE CHAIN REMARK 500 18 ARG A 14 0.31 SIDE CHAIN REMARK 500 18 ARG A 18 0.24 SIDE CHAIN REMARK 500 19 ARG A 14 0.31 SIDE CHAIN REMARK 500 19 ARG A 18 0.27 SIDE CHAIN REMARK 500 20 ARG A 14 0.32 SIDE CHAIN REMARK 500 20 ARG A 18 0.30 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES 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: 5881 RELATED DB: BMRB REMARK 900 RELATED ID: 20023 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 15 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 ASN A 2 GLY A 6 5 5 HELIX 2 2 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 2.02 SSBOND 3 CYS A 8 CYS A 20 1555 1555 2.02 LINK C PCA A 1 N ASN A 2 1555 1555 1.30 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 3.595 6.210 8.359 1.00 0.00 N HETATM 2 CA PCA A 1 2.711 5.205 7.632 1.00 0.00 C HETATM 3 CB PCA A 1 1.934 4.475 8.739 1.00 0.00 C HETATM 4 CG PCA A 1 2.399 5.072 10.045 1.00 0.00 C HETATM 5 CD PCA A 1 3.409 6.117 9.644 1.00 0.00 C HETATM 6 OE PCA A 1 4.099 6.672 10.476 1.00 0.00 O HETATM 7 C PCA A 1 1.752 5.934 6.679 1.00 0.00 C HETATM 8 O PCA A 1 0.609 6.207 7.000 1.00 0.00 O HETATM 9 H1 PCA A 1 4.592 6.007 8.166 1.00 0.00 H HETATM 10 H2 PCA A 1 3.364 7.180 8.032 1.00 0.00 H HETATM 11 HA PCA A 1 3.319 4.498 7.083 1.00 0.00 H HETATM 12 HB2 PCA A 1 2.162 3.422 8.722 1.00 0.00 H HETATM 13 HB3 PCA A 1 0.869 4.628 8.613 1.00 0.00 H HETATM 14 HG2 PCA A 1 2.871 4.325 10.657 1.00 0.00 H HETATM 15 HG3 PCA A 1 1.567 5.529 10.574 1.00 0.00 H ATOM 16 N ASN A 2 2.222 6.273 5.512 1.00 0.00 N ATOM 17 CA ASN A 2 1.366 7.015 4.531 1.00 0.00 C ATOM 18 C ASN A 2 1.399 6.339 3.147 1.00 0.00 C ATOM 19 O ASN A 2 1.741 6.949 2.152 1.00 0.00 O ATOM 20 CB ASN A 2 1.986 8.417 4.472 1.00 0.00 C ATOM 21 CG ASN A 2 2.122 9.001 5.878 1.00 0.00 C ATOM 22 OD1 ASN A 2 2.934 8.546 6.658 1.00 0.00 O ATOM 23 ND2 ASN A 2 1.375 10.005 6.231 1.00 0.00 N ATOM 24 H ASN A 2 3.150 6.062 5.286 1.00 0.00 H ATOM 25 HA ASN A 2 0.351 7.077 4.890 1.00 0.00 H ATOM 26 HB2 ASN A 2 2.961 8.350 4.021 1.00 0.00 H ATOM 27 HB3 ASN A 2 1.357 9.058 3.880 1.00 0.00 H ATOM 28 HD21 ASN A 2 0.726 10.385 5.598 1.00 0.00 H ATOM 29 HD22 ASN A 2 1.459 10.384 7.130 1.00 0.00 H ATOM 30 N CYS A 3 1.028 5.084 3.081 1.00 0.00 N ATOM 31 CA CYS A 3 1.030 4.336 1.767 1.00 0.00 C ATOM 32 C CYS A 3 0.265 5.107 0.679 1.00 0.00 C ATOM 33 O CYS A 3 0.669 5.140 -0.467 1.00 0.00 O ATOM 34 CB CYS A 3 0.350 2.990 2.055 1.00 0.00 C ATOM 35 SG CYS A 3 0.088 2.089 0.500 1.00 0.00 S ATOM 36 H CYS A 3 0.749 4.627 3.899 1.00 0.00 H ATOM 37 HA CYS A 3 2.043 4.163 1.444 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.979 2.402 2.706 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.601 3.162 2.533 1.00 0.00 H ATOM 40 N CYS A 4 -0.826 5.737 1.024 1.00 0.00 N ATOM 41 CA CYS A 4 -1.609 6.519 0.003 1.00 0.00 C ATOM 42 C CYS A 4 -1.046 7.937 -0.183 1.00 0.00 C ATOM 43 O CYS A 4 -1.465 8.664 -1.059 1.00 0.00 O ATOM 44 CB CYS A 4 -3.022 6.590 0.555 1.00 0.00 C ATOM 45 SG CYS A 4 -3.837 5.000 0.286 1.00 0.00 S ATOM 46 H CYS A 4 -1.128 5.703 1.953 1.00 0.00 H ATOM 47 HA CYS A 4 -1.613 5.998 -0.942 1.00 0.00 H ATOM 48 HB2 CYS A 4 -2.981 6.807 1.612 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.565 7.366 0.043 1.00 0.00 H ATOM 50 N ASN A 5 -0.081 8.328 0.609 1.00 0.00 N ATOM 51 CA ASN A 5 0.524 9.690 0.447 1.00 0.00 C ATOM 52 C ASN A 5 1.759 9.604 -0.470 1.00 0.00 C ATOM 53 O ASN A 5 2.599 10.482 -0.492 1.00 0.00 O ATOM 54 CB ASN A 5 0.915 10.116 1.869 1.00 0.00 C ATOM 55 CG ASN A 5 1.141 11.628 1.929 1.00 0.00 C ATOM 56 OD1 ASN A 5 2.177 12.075 2.361 1.00 0.00 O ATOM 57 ND2 ASN A 5 0.206 12.436 1.528 1.00 0.00 N ATOM 58 H ASN A 5 0.264 7.720 1.288 1.00 0.00 H ATOM 59 HA ASN A 5 -0.198 10.372 0.038 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.124 9.849 2.557 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.822 9.612 2.152 1.00 0.00 H ATOM 62 HD21 ASN A 5 -0.640 12.079 1.190 1.00 0.00 H ATOM 63 HD22 ASN A 5 0.349 13.405 1.565 1.00 0.00 H ATOM 64 N GLY A 6 1.853 8.547 -1.232 1.00 0.00 N ATOM 65 CA GLY A 6 3.013 8.368 -2.162 1.00 0.00 C ATOM 66 C GLY A 6 3.677 7.002 -1.943 1.00 0.00 C ATOM 67 O GLY A 6 4.872 6.853 -2.129 1.00 0.00 O ATOM 68 H GLY A 6 1.156 7.871 -1.188 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.671 8.439 -3.183 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.735 9.145 -1.974 1.00 0.00 H ATOM 71 N GLY A 7 2.924 5.997 -1.549 1.00 0.00 N ATOM 72 CA GLY A 7 3.533 4.647 -1.318 1.00 0.00 C ATOM 73 C GLY A 7 2.704 3.555 -2.003 1.00 0.00 C ATOM 74 O GLY A 7 2.438 2.524 -1.432 1.00 0.00 O ATOM 75 H GLY A 7 1.961 6.130 -1.393 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.538 4.626 -1.710 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.559 4.449 -0.262 1.00 0.00 H ATOM 78 N CYS A 8 2.300 3.772 -3.225 1.00 0.00 N ATOM 79 CA CYS A 8 1.491 2.728 -3.947 1.00 0.00 C ATOM 80 C CYS A 8 2.341 1.988 -4.988 1.00 0.00 C ATOM 81 O CYS A 8 1.837 1.221 -5.777 1.00 0.00 O ATOM 82 CB CYS A 8 0.355 3.489 -4.628 1.00 0.00 C ATOM 83 SG CYS A 8 -1.181 2.529 -4.513 1.00 0.00 S ATOM 84 H CYS A 8 2.533 4.611 -3.666 1.00 0.00 H ATOM 85 HA CYS A 8 1.084 2.030 -3.238 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.232 4.436 -4.138 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.597 3.652 -5.668 1.00 0.00 H ATOM 88 N SER A 9 3.634 2.201 -4.985 1.00 0.00 N ATOM 89 CA SER A 9 4.520 1.487 -5.965 1.00 0.00 C ATOM 90 C SER A 9 4.664 0.012 -5.572 1.00 0.00 C ATOM 91 O SER A 9 4.938 -0.841 -6.399 1.00 0.00 O ATOM 92 CB SER A 9 5.871 2.200 -5.870 1.00 0.00 C ATOM 93 OG SER A 9 6.407 2.378 -7.182 1.00 0.00 O ATOM 94 H SER A 9 4.024 2.815 -4.330 1.00 0.00 H ATOM 95 HA SER A 9 4.135 1.571 -6.965 1.00 0.00 H ATOM 96 HB2 SER A 9 5.737 3.162 -5.404 1.00 0.00 H ATOM 97 HB3 SER A 9 6.544 1.605 -5.270 1.00 0.00 H ATOM 98 HG SER A 9 7.067 3.080 -7.142 1.00 0.00 H ATOM 99 N SER A 10 4.474 -0.296 -4.312 1.00 0.00 N ATOM 100 CA SER A 10 4.595 -1.708 -3.845 1.00 0.00 C ATOM 101 C SER A 10 3.252 -2.432 -3.956 1.00 0.00 C ATOM 102 O SER A 10 2.228 -1.983 -3.455 1.00 0.00 O ATOM 103 CB SER A 10 5.040 -1.632 -2.388 1.00 0.00 C ATOM 104 OG SER A 10 4.658 -0.385 -1.817 1.00 0.00 O ATOM 105 H SER A 10 4.244 0.404 -3.667 1.00 0.00 H ATOM 106 HA SER A 10 5.340 -2.227 -4.421 1.00 0.00 H ATOM 107 HB2 SER A 10 4.567 -2.411 -1.837 1.00 0.00 H ATOM 108 HB3 SER A 10 6.110 -1.756 -2.343 1.00 0.00 H ATOM 109 HG SER A 10 5.196 -0.225 -1.027 1.00 0.00 H ATOM 110 N LYS A 11 3.250 -3.558 -4.603 1.00 0.00 N ATOM 111 CA LYS A 11 1.981 -4.343 -4.772 1.00 0.00 C ATOM 112 C LYS A 11 1.329 -4.673 -3.416 1.00 0.00 C ATOM 113 O LYS A 11 0.122 -4.606 -3.269 1.00 0.00 O ATOM 114 CB LYS A 11 2.409 -5.628 -5.488 1.00 0.00 C ATOM 115 CG LYS A 11 1.173 -6.473 -5.812 1.00 0.00 C ATOM 116 CD LYS A 11 1.462 -7.364 -7.024 1.00 0.00 C ATOM 117 CE LYS A 11 0.410 -8.480 -7.110 1.00 0.00 C ATOM 118 NZ LYS A 11 1.184 -9.737 -7.349 1.00 0.00 N ATOM 119 H LYS A 11 4.085 -3.896 -4.983 1.00 0.00 H ATOM 120 HA LYS A 11 1.285 -3.801 -5.395 1.00 0.00 H ATOM 121 HB2 LYS A 11 2.921 -5.372 -6.406 1.00 0.00 H ATOM 122 HB3 LYS A 11 3.070 -6.198 -4.853 1.00 0.00 H ATOM 123 HG2 LYS A 11 0.933 -7.092 -4.959 1.00 0.00 H ATOM 124 HG3 LYS A 11 0.338 -5.825 -6.036 1.00 0.00 H ATOM 125 HD2 LYS A 11 1.425 -6.766 -7.923 1.00 0.00 H ATOM 126 HD3 LYS A 11 2.444 -7.802 -6.921 1.00 0.00 H ATOM 127 HE2 LYS A 11 -0.144 -8.550 -6.177 1.00 0.00 H ATOM 128 HE3 LYS A 11 -0.265 -8.298 -7.933 1.00 0.00 H ATOM 129 HZ1 LYS A 11 0.620 -10.558 -7.046 1.00 0.00 H ATOM 130 HZ2 LYS A 11 2.068 -9.715 -6.805 1.00 0.00 H ATOM 131 HZ3 LYS A 11 1.403 -9.828 -8.364 1.00 0.00 H ATOM 132 N TRP A 12 2.121 -5.029 -2.430 1.00 0.00 N ATOM 133 CA TRP A 12 1.555 -5.372 -1.079 1.00 0.00 C ATOM 134 C TRP A 12 0.669 -4.235 -0.548 1.00 0.00 C ATOM 135 O TRP A 12 -0.376 -4.478 0.001 1.00 0.00 O ATOM 136 CB TRP A 12 2.776 -5.591 -0.177 1.00 0.00 C ATOM 137 CG TRP A 12 2.339 -5.986 1.204 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.371 -5.176 2.291 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.798 -7.266 1.665 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.894 -5.873 3.384 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.527 -7.161 3.050 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.520 -8.496 1.027 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.004 -8.228 3.773 1.00 0.00 C ATOM 144 CZ3 TRP A 12 0.990 -9.572 1.758 1.00 0.00 C ATOM 145 CH2 TRP A 12 0.732 -9.437 3.126 1.00 0.00 C ATOM 146 H TRP A 12 3.086 -5.075 -2.579 1.00 0.00 H ATOM 147 HA TRP A 12 0.984 -6.277 -1.138 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.378 -6.382 -0.593 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.355 -4.679 -0.128 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.699 -4.152 2.304 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.820 -5.512 4.297 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.718 -8.608 -0.029 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.807 -8.122 4.829 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.780 -10.511 1.260 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.327 -10.272 3.684 1.00 0.00 H ATOM 156 N CYS A 13 1.071 -2.997 -0.709 1.00 0.00 N ATOM 157 CA CYS A 13 0.223 -1.858 -0.194 1.00 0.00 C ATOM 158 C CYS A 13 -1.236 -1.993 -0.652 1.00 0.00 C ATOM 159 O CYS A 13 -2.148 -1.760 0.115 1.00 0.00 O ATOM 160 CB CYS A 13 0.846 -0.571 -0.751 1.00 0.00 C ATOM 161 SG CYS A 13 1.327 0.504 0.629 1.00 0.00 S ATOM 162 H CYS A 13 1.920 -2.819 -1.157 1.00 0.00 H ATOM 163 HA CYS A 13 0.259 -1.828 0.880 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.721 -0.815 -1.333 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.130 -0.056 -1.377 1.00 0.00 H ATOM 166 N ARG A 14 -1.462 -2.378 -1.876 1.00 0.00 N ATOM 167 CA ARG A 14 -2.873 -2.543 -2.362 1.00 0.00 C ATOM 168 C ARG A 14 -3.455 -3.901 -1.917 1.00 0.00 C ATOM 169 O ARG A 14 -4.663 -4.089 -1.882 1.00 0.00 O ATOM 170 CB ARG A 14 -2.789 -2.456 -3.891 1.00 0.00 C ATOM 171 CG ARG A 14 -4.006 -1.682 -4.421 1.00 0.00 C ATOM 172 CD ARG A 14 -5.077 -2.657 -4.923 1.00 0.00 C ATOM 173 NE ARG A 14 -5.944 -2.923 -3.731 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.208 -2.695 -3.778 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.632 -1.507 -4.033 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.038 -3.650 -3.555 1.00 0.00 N ATOM 177 H ARG A 14 -0.712 -2.567 -2.471 1.00 0.00 H ATOM 178 HA ARG A 14 -3.493 -1.746 -1.981 1.00 0.00 H ATOM 179 HB2 ARG A 14 -1.879 -1.943 -4.177 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.789 -3.452 -4.306 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.420 -1.083 -3.621 1.00 0.00 H ATOM 182 HG3 ARG A 14 -3.700 -1.035 -5.231 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.656 -2.203 -5.718 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.618 -3.572 -5.265 1.00 0.00 H ATOM 185 HE ARG A 14 -5.546 -3.274 -2.898 1.00 0.00 H ATOM 186 HH11 ARG A 14 -6.968 -0.771 -4.199 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.611 -1.318 -4.065 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.693 -4.568 -3.350 1.00 0.00 H ATOM 189 HH22 ARG A 14 -9.019 -3.475 -3.580 1.00 0.00 H ATOM 190 N ASP A 15 -2.617 -4.844 -1.600 1.00 0.00 N ATOM 191 CA ASP A 15 -3.092 -6.193 -1.174 1.00 0.00 C ATOM 192 C ASP A 15 -3.857 -6.121 0.163 1.00 0.00 C ATOM 193 O ASP A 15 -5.017 -6.496 0.268 1.00 0.00 O ATOM 194 CB ASP A 15 -1.789 -6.989 -0.996 1.00 0.00 C ATOM 195 CG ASP A 15 -1.922 -8.362 -1.650 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.613 -8.477 -2.823 1.00 0.00 O ATOM 197 OD2 ASP A 15 -2.333 -9.279 -0.967 1.00 0.00 O ATOM 198 H ASP A 15 -1.658 -4.671 -1.644 1.00 0.00 H ATOM 199 HA ASP A 15 -3.702 -6.646 -1.940 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.969 -6.444 -1.447 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.590 -7.111 0.059 1.00 0.00 H ATOM 202 N HIS A 16 -3.191 -5.664 1.180 1.00 0.00 N ATOM 203 CA HIS A 16 -3.823 -5.574 2.532 1.00 0.00 C ATOM 204 C HIS A 16 -4.432 -4.182 2.772 1.00 0.00 C ATOM 205 O HIS A 16 -5.439 -4.041 3.446 1.00 0.00 O ATOM 206 CB HIS A 16 -2.661 -5.856 3.515 1.00 0.00 C ATOM 207 CG HIS A 16 -1.636 -4.773 3.385 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.753 -3.535 3.993 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.492 -4.716 2.641 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.699 -2.800 3.597 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.098 -3.470 2.778 1.00 0.00 N ATOM 212 H HIS A 16 -2.259 -5.388 1.057 1.00 0.00 H ATOM 213 HA HIS A 16 -4.578 -6.331 2.632 1.00 0.00 H ATOM 214 HB2 HIS A 16 -3.024 -5.903 4.529 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.200 -6.799 3.260 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.473 -3.244 4.601 1.00 0.00 H ATOM 217 HD2 HIS A 16 -0.111 -5.520 2.031 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.536 -1.786 3.873 1.00 0.00 H ATOM 219 N ALA A 17 -3.833 -3.148 2.235 1.00 0.00 N ATOM 220 CA ALA A 17 -4.374 -1.770 2.455 1.00 0.00 C ATOM 221 C ALA A 17 -5.339 -1.358 1.323 1.00 0.00 C ATOM 222 O ALA A 17 -4.934 -0.979 0.238 1.00 0.00 O ATOM 223 CB ALA A 17 -3.134 -0.859 2.474 1.00 0.00 C ATOM 224 H ALA A 17 -3.020 -3.277 1.700 1.00 0.00 H ATOM 225 HA ALA A 17 -4.880 -1.718 3.409 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.238 -1.458 2.408 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.120 -0.292 3.393 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.170 -0.183 1.633 1.00 0.00 H ATOM 229 N ARG A 18 -6.616 -1.407 1.592 1.00 0.00 N ATOM 230 CA ARG A 18 -7.628 -1.008 0.553 1.00 0.00 C ATOM 231 C ARG A 18 -7.549 0.504 0.245 1.00 0.00 C ATOM 232 O ARG A 18 -8.138 0.974 -0.710 1.00 0.00 O ATOM 233 CB ARG A 18 -8.995 -1.381 1.154 1.00 0.00 C ATOM 234 CG ARG A 18 -9.150 -0.779 2.557 1.00 0.00 C ATOM 235 CD ARG A 18 -9.611 -1.870 3.534 1.00 0.00 C ATOM 236 NE ARG A 18 -8.468 -2.070 4.483 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.384 -3.158 5.178 1.00 0.00 C ATOM 238 NH1 ARG A 18 -9.178 -3.339 6.178 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.508 -4.046 4.881 1.00 0.00 N ATOM 240 H ARG A 18 -6.908 -1.705 2.475 1.00 0.00 H ATOM 241 HA ARG A 18 -7.468 -1.571 -0.352 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.783 -0.997 0.516 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.076 -2.456 1.220 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.203 -0.371 2.882 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.894 0.009 2.530 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.503 -1.541 4.064 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.813 -2.785 3.000 1.00 0.00 H ATOM 248 HE ARG A 18 -7.792 -1.369 4.594 1.00 0.00 H ATOM 249 HH11 ARG A 18 -9.853 -2.635 6.414 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.123 -4.179 6.714 1.00 0.00 H ATOM 251 HH21 ARG A 18 -6.878 -3.897 4.106 1.00 0.00 H ATOM 252 HH22 ARG A 18 -7.451 -4.886 5.419 1.00 0.00 H ATOM 253 N CYS A 19 -6.825 1.260 1.044 1.00 0.00 N ATOM 254 CA CYS A 19 -6.703 2.733 0.806 1.00 0.00 C ATOM 255 C CYS A 19 -6.162 3.026 -0.604 1.00 0.00 C ATOM 256 O CYS A 19 -6.595 3.952 -1.256 1.00 0.00 O ATOM 257 CB CYS A 19 -5.722 3.235 1.873 1.00 0.00 C ATOM 258 SG CYS A 19 -5.370 4.985 1.599 1.00 0.00 S ATOM 259 H CYS A 19 -6.362 0.850 1.805 1.00 0.00 H ATOM 260 HA CYS A 19 -7.659 3.206 0.934 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.161 3.108 2.853 1.00 0.00 H ATOM 262 HB3 CYS A 19 -4.802 2.673 1.814 1.00 0.00 H ATOM 263 N CYS A 20 -5.229 2.236 -1.075 1.00 0.00 N ATOM 264 CA CYS A 20 -4.659 2.460 -2.450 1.00 0.00 C ATOM 265 C CYS A 20 -5.539 1.775 -3.504 1.00 0.00 C ATOM 266 O CYS A 20 -5.137 0.825 -4.133 1.00 0.00 O ATOM 267 CB CYS A 20 -3.254 1.842 -2.426 1.00 0.00 C ATOM 268 SG CYS A 20 -2.024 3.126 -2.779 1.00 0.00 S ATOM 269 H CYS A 20 -4.906 1.492 -0.530 1.00 0.00 H ATOM 270 HA CYS A 20 -4.586 3.513 -2.659 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.057 1.422 -1.451 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.189 1.064 -3.171 1.00 0.00 H HETATM 273 N NH2 A 21 -6.735 2.227 -3.723 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.298 1.798 -4.392 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.072 3.000 -3.216 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 2 HETATM 1 N PCA A 1 5.140 7.404 7.144 1.00 0.00 N HETATM 2 CA PCA A 1 4.161 7.948 6.114 1.00 0.00 C HETATM 3 CB PCA A 1 4.983 8.102 4.824 1.00 0.00 C HETATM 4 CG PCA A 1 6.383 7.643 5.151 1.00 0.00 C HETATM 5 CD PCA A 1 6.317 7.241 6.599 1.00 0.00 C HETATM 6 OE PCA A 1 7.243 6.670 7.132 1.00 0.00 O HETATM 7 C PCA A 1 3.000 6.962 5.901 1.00 0.00 C HETATM 8 O PCA A 1 3.006 5.859 6.418 1.00 0.00 O HETATM 9 H1 PCA A 1 5.239 8.075 7.925 1.00 0.00 H HETATM 10 H2 PCA A 1 4.789 6.489 7.505 1.00 0.00 H HETATM 11 HA PCA A 1 3.781 8.908 6.428 1.00 0.00 H HETATM 12 HB2 PCA A 1 4.999 9.136 4.512 1.00 0.00 H HETATM 13 HB3 PCA A 1 4.563 7.485 4.044 1.00 0.00 H HETATM 14 HG2 PCA A 1 7.090 8.447 5.025 1.00 0.00 H HETATM 15 HG3 PCA A 1 6.653 6.797 4.534 1.00 0.00 H ATOM 16 N ASN A 2 2.005 7.354 5.146 1.00 0.00 N ATOM 17 CA ASN A 2 0.831 6.453 4.889 1.00 0.00 C ATOM 18 C ASN A 2 0.957 5.771 3.516 1.00 0.00 C ATOM 19 O ASN A 2 1.463 6.350 2.576 1.00 0.00 O ATOM 20 CB ASN A 2 -0.389 7.386 4.922 1.00 0.00 C ATOM 21 CG ASN A 2 -1.420 6.838 5.899 1.00 0.00 C ATOM 22 OD1 ASN A 2 -2.287 6.081 5.519 1.00 0.00 O ATOM 23 ND2 ASN A 2 -1.362 7.184 7.148 1.00 0.00 N ATOM 24 H ASN A 2 2.029 8.247 4.742 1.00 0.00 H ATOM 25 HA ASN A 2 0.748 5.714 5.670 1.00 0.00 H ATOM 26 HB2 ASN A 2 -0.083 8.372 5.237 1.00 0.00 H ATOM 27 HB3 ASN A 2 -0.827 7.444 3.936 1.00 0.00 H ATOM 28 HD21 ASN A 2 -0.658 7.789 7.456 1.00 0.00 H ATOM 29 HD22 ASN A 2 -2.021 6.836 7.782 1.00 0.00 H ATOM 30 N CYS A 3 0.490 4.549 3.391 1.00 0.00 N ATOM 31 CA CYS A 3 0.585 3.824 2.069 1.00 0.00 C ATOM 32 C CYS A 3 -0.007 4.663 0.929 1.00 0.00 C ATOM 33 O CYS A 3 0.490 4.656 -0.177 1.00 0.00 O ATOM 34 CB CYS A 3 -0.221 2.530 2.248 1.00 0.00 C ATOM 35 SG CYS A 3 0.613 1.169 1.390 1.00 0.00 S ATOM 36 H CYS A 3 0.078 4.108 4.163 1.00 0.00 H ATOM 37 HA CYS A 3 1.612 3.585 1.849 1.00 0.00 H ATOM 38 HB2 CYS A 3 -0.294 2.295 3.298 1.00 0.00 H ATOM 39 HB3 CYS A 3 -1.211 2.660 1.838 1.00 0.00 H ATOM 40 N CYS A 4 -1.056 5.396 1.187 1.00 0.00 N ATOM 41 CA CYS A 4 -1.668 6.240 0.105 1.00 0.00 C ATOM 42 C CYS A 4 -0.991 7.619 0.026 1.00 0.00 C ATOM 43 O CYS A 4 -1.246 8.393 -0.874 1.00 0.00 O ATOM 44 CB CYS A 4 -3.132 6.405 0.509 1.00 0.00 C ATOM 45 SG CYS A 4 -4.038 4.868 0.184 1.00 0.00 S ATOM 46 H CYS A 4 -1.440 5.394 2.087 1.00 0.00 H ATOM 47 HA CYS A 4 -1.597 5.739 -0.847 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.189 6.640 1.562 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.569 7.211 -0.058 1.00 0.00 H ATOM 50 N ASN A 5 -0.119 7.918 0.949 1.00 0.00 N ATOM 51 CA ASN A 5 0.589 9.238 0.925 1.00 0.00 C ATOM 52 C ASN A 5 2.012 9.057 0.376 1.00 0.00 C ATOM 53 O ASN A 5 2.895 9.855 0.622 1.00 0.00 O ATOM 54 CB ASN A 5 0.610 9.703 2.386 1.00 0.00 C ATOM 55 CG ASN A 5 0.636 11.233 2.464 1.00 0.00 C ATOM 56 OD1 ASN A 5 1.379 11.789 3.238 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.149 11.944 1.711 1.00 0.00 N ATOM 58 H ASN A 5 0.084 7.270 1.649 1.00 0.00 H ATOM 59 HA ASN A 5 0.046 9.940 0.316 1.00 0.00 H ATOM 60 HB2 ASN A 5 -0.269 9.338 2.892 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.491 9.313 2.871 1.00 0.00 H ATOM 62 HD21 ASN A 5 -0.765 11.509 1.086 1.00 0.00 H ATOM 63 HD22 ASN A 5 -0.126 12.921 1.773 1.00 0.00 H ATOM 64 N GLY A 6 2.216 8.011 -0.376 1.00 0.00 N ATOM 65 CA GLY A 6 3.558 7.738 -0.976 1.00 0.00 C ATOM 66 C GLY A 6 3.947 6.258 -0.817 1.00 0.00 C ATOM 67 O GLY A 6 5.114 5.933 -0.764 1.00 0.00 O ATOM 68 H GLY A 6 1.476 7.403 -0.554 1.00 0.00 H ATOM 69 HA2 GLY A 6 3.536 7.988 -2.026 1.00 0.00 H ATOM 70 HA3 GLY A 6 4.296 8.347 -0.483 1.00 0.00 H ATOM 71 N GLY A 7 2.995 5.352 -0.736 1.00 0.00 N ATOM 72 CA GLY A 7 3.362 3.903 -0.573 1.00 0.00 C ATOM 73 C GLY A 7 2.539 3.021 -1.524 1.00 0.00 C ATOM 74 O GLY A 7 2.251 1.880 -1.222 1.00 0.00 O ATOM 75 H GLY A 7 2.045 5.616 -0.773 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.415 3.776 -0.783 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.166 3.601 0.443 1.00 0.00 H ATOM 78 N CYS A 8 2.165 3.530 -2.670 1.00 0.00 N ATOM 79 CA CYS A 8 1.355 2.706 -3.632 1.00 0.00 C ATOM 80 C CYS A 8 2.199 2.202 -4.804 1.00 0.00 C ATOM 81 O CYS A 8 1.694 1.570 -5.709 1.00 0.00 O ATOM 82 CB CYS A 8 0.265 3.639 -4.139 1.00 0.00 C ATOM 83 SG CYS A 8 -1.283 2.717 -4.288 1.00 0.00 S ATOM 84 H CYS A 8 2.409 4.449 -2.895 1.00 0.00 H ATOM 85 HA CYS A 8 0.905 1.869 -3.119 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.138 4.455 -3.442 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.546 4.032 -5.106 1.00 0.00 H ATOM 88 N SER A 9 3.481 2.461 -4.791 1.00 0.00 N ATOM 89 CA SER A 9 4.365 1.979 -5.898 1.00 0.00 C ATOM 90 C SER A 9 4.574 0.462 -5.787 1.00 0.00 C ATOM 91 O SER A 9 4.916 -0.196 -6.747 1.00 0.00 O ATOM 92 CB SER A 9 5.688 2.707 -5.695 1.00 0.00 C ATOM 93 OG SER A 9 6.122 3.227 -6.945 1.00 0.00 O ATOM 94 H SER A 9 3.868 2.962 -4.050 1.00 0.00 H ATOM 95 HA SER A 9 3.948 2.231 -6.860 1.00 0.00 H ATOM 96 HB2 SER A 9 5.556 3.512 -4.993 1.00 0.00 H ATOM 97 HB3 SER A 9 6.422 2.014 -5.305 1.00 0.00 H ATOM 98 HG SER A 9 7.036 3.522 -6.846 1.00 0.00 H ATOM 99 N SER A 10 4.372 -0.094 -4.617 1.00 0.00 N ATOM 100 CA SER A 10 4.561 -1.571 -4.441 1.00 0.00 C ATOM 101 C SER A 10 3.231 -2.319 -4.538 1.00 0.00 C ATOM 102 O SER A 10 2.162 -1.743 -4.462 1.00 0.00 O ATOM 103 CB SER A 10 5.154 -1.751 -3.048 1.00 0.00 C ATOM 104 OG SER A 10 5.342 -3.143 -2.802 1.00 0.00 O ATOM 105 H SER A 10 4.093 0.457 -3.857 1.00 0.00 H ATOM 106 HA SER A 10 5.250 -1.950 -5.175 1.00 0.00 H ATOM 107 HB2 SER A 10 6.105 -1.250 -2.993 1.00 0.00 H ATOM 108 HB3 SER A 10 4.481 -1.333 -2.311 1.00 0.00 H ATOM 109 HG SER A 10 6.277 -3.289 -2.623 1.00 0.00 H ATOM 110 N LYS A 11 3.301 -3.610 -4.694 1.00 0.00 N ATOM 111 CA LYS A 11 2.054 -4.438 -4.792 1.00 0.00 C ATOM 112 C LYS A 11 1.457 -4.711 -3.399 1.00 0.00 C ATOM 113 O LYS A 11 0.253 -4.806 -3.248 1.00 0.00 O ATOM 114 CB LYS A 11 2.497 -5.752 -5.460 1.00 0.00 C ATOM 115 CG LYS A 11 1.275 -6.615 -5.790 1.00 0.00 C ATOM 116 CD LYS A 11 1.619 -7.527 -6.970 1.00 0.00 C ATOM 117 CE LYS A 11 0.541 -8.600 -7.113 1.00 0.00 C ATOM 118 NZ LYS A 11 0.907 -9.360 -8.341 1.00 0.00 N ATOM 119 H LYS A 11 4.184 -4.037 -4.735 1.00 0.00 H ATOM 120 HA LYS A 11 1.325 -3.941 -5.415 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.033 -5.531 -6.369 1.00 0.00 H ATOM 122 HB3 LYS A 11 3.141 -6.297 -4.785 1.00 0.00 H ATOM 123 HG2 LYS A 11 1.016 -7.218 -4.929 1.00 0.00 H ATOM 124 HG3 LYS A 11 0.440 -5.982 -6.053 1.00 0.00 H ATOM 125 HD2 LYS A 11 1.672 -6.937 -7.877 1.00 0.00 H ATOM 126 HD3 LYS A 11 2.574 -7.999 -6.793 1.00 0.00 H ATOM 127 HE2 LYS A 11 0.549 -9.250 -6.247 1.00 0.00 H ATOM 128 HE3 LYS A 11 -0.432 -8.144 -7.232 1.00 0.00 H ATOM 129 HZ1 LYS A 11 0.975 -8.710 -9.153 1.00 0.00 H ATOM 130 HZ2 LYS A 11 0.174 -10.073 -8.535 1.00 0.00 H ATOM 131 HZ3 LYS A 11 1.819 -9.837 -8.199 1.00 0.00 H ATOM 132 N TRP A 12 2.284 -4.839 -2.388 1.00 0.00 N ATOM 133 CA TRP A 12 1.752 -5.119 -1.010 1.00 0.00 C ATOM 134 C TRP A 12 0.722 -4.070 -0.578 1.00 0.00 C ATOM 135 O TRP A 12 -0.273 -4.397 0.034 1.00 0.00 O ATOM 136 CB TRP A 12 2.966 -5.097 -0.081 1.00 0.00 C ATOM 137 CG TRP A 12 2.523 -5.432 1.312 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.472 -4.554 2.340 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.038 -6.704 1.838 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.025 -5.216 3.469 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.734 -6.535 3.208 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.843 -7.976 1.266 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.252 -7.587 3.988 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.350 -9.040 2.046 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.054 -8.844 3.406 1.00 0.00 C ATOM 146 H TRP A 12 3.253 -4.757 -2.535 1.00 0.00 H ATOM 147 HA TRP A 12 1.298 -6.095 -0.985 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.686 -5.828 -0.415 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.414 -4.117 -0.088 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.752 -3.510 2.292 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.913 -4.811 4.351 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.067 -8.134 0.220 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.024 -7.431 5.032 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.196 -10.010 1.595 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.670 -9.662 4.002 1.00 0.00 H ATOM 156 N CYS A 13 0.941 -2.814 -0.889 1.00 0.00 N ATOM 157 CA CYS A 13 -0.058 -1.764 -0.484 1.00 0.00 C ATOM 158 C CYS A 13 -1.456 -2.170 -0.961 1.00 0.00 C ATOM 159 O CYS A 13 -2.416 -2.092 -0.231 1.00 0.00 O ATOM 160 CB CYS A 13 0.385 -0.456 -1.146 1.00 0.00 C ATOM 161 SG CYS A 13 -0.430 0.939 -0.322 1.00 0.00 S ATOM 162 H CYS A 13 1.748 -2.572 -1.384 1.00 0.00 H ATOM 163 HA CYS A 13 -0.055 -1.654 0.585 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.455 -0.351 -1.057 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.111 -0.466 -2.194 1.00 0.00 H ATOM 166 N ARG A 14 -1.569 -2.642 -2.168 1.00 0.00 N ATOM 167 CA ARG A 14 -2.907 -3.089 -2.671 1.00 0.00 C ATOM 168 C ARG A 14 -3.315 -4.414 -1.988 1.00 0.00 C ATOM 169 O ARG A 14 -4.485 -4.712 -1.851 1.00 0.00 O ATOM 170 CB ARG A 14 -2.713 -3.278 -4.183 1.00 0.00 C ATOM 171 CG ARG A 14 -3.983 -3.865 -4.826 1.00 0.00 C ATOM 172 CD ARG A 14 -5.209 -3.015 -4.465 1.00 0.00 C ATOM 173 NE ARG A 14 -4.972 -1.689 -5.115 1.00 0.00 N ATOM 174 CZ ARG A 14 -5.245 -1.511 -6.362 1.00 0.00 C ATOM 175 NH1 ARG A 14 -6.433 -1.192 -6.713 1.00 0.00 N ATOM 176 NH2 ARG A 14 -4.323 -1.642 -7.245 1.00 0.00 N ATOM 177 H ARG A 14 -0.777 -2.729 -2.732 1.00 0.00 H ATOM 178 HA ARG A 14 -3.651 -2.329 -2.482 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.491 -2.325 -4.636 1.00 0.00 H ATOM 180 HB3 ARG A 14 -1.888 -3.954 -4.352 1.00 0.00 H ATOM 181 HG2 ARG A 14 -3.866 -3.883 -5.901 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.132 -4.872 -4.467 1.00 0.00 H ATOM 183 HD2 ARG A 14 -6.110 -3.478 -4.851 1.00 0.00 H ATOM 184 HD3 ARG A 14 -5.278 -2.897 -3.393 1.00 0.00 H ATOM 185 HE ARG A 14 -4.618 -0.936 -4.585 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.142 -1.085 -6.026 1.00 0.00 H ATOM 187 HH12 ARG A 14 -6.647 -1.049 -7.678 1.00 0.00 H ATOM 188 HH21 ARG A 14 -3.399 -1.881 -6.967 1.00 0.00 H ATOM 189 HH22 ARG A 14 -4.535 -1.505 -8.212 1.00 0.00 H ATOM 190 N ASP A 15 -2.358 -5.194 -1.556 1.00 0.00 N ATOM 191 CA ASP A 15 -2.651 -6.490 -0.876 1.00 0.00 C ATOM 192 C ASP A 15 -3.429 -6.263 0.433 1.00 0.00 C ATOM 193 O ASP A 15 -4.473 -6.849 0.667 1.00 0.00 O ATOM 194 CB ASP A 15 -1.257 -7.059 -0.560 1.00 0.00 C ATOM 195 CG ASP A 15 -1.202 -8.547 -0.895 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.148 -8.873 -2.068 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.202 -9.342 0.025 1.00 0.00 O ATOM 198 H ASP A 15 -1.425 -4.924 -1.674 1.00 0.00 H ATOM 199 HA ASP A 15 -3.187 -7.158 -1.528 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.515 -6.532 -1.139 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.043 -6.917 0.491 1.00 0.00 H ATOM 202 N HIS A 16 -2.898 -5.444 1.300 1.00 0.00 N ATOM 203 CA HIS A 16 -3.551 -5.200 2.628 1.00 0.00 C ATOM 204 C HIS A 16 -4.194 -3.799 2.762 1.00 0.00 C ATOM 205 O HIS A 16 -4.976 -3.560 3.669 1.00 0.00 O ATOM 206 CB HIS A 16 -2.407 -5.371 3.634 1.00 0.00 C ATOM 207 CG HIS A 16 -1.404 -4.252 3.530 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.518 -3.977 4.554 1.00 0.00 N ATOM 209 CD2 HIS A 16 -1.101 -3.364 2.529 1.00 0.00 C ATOM 210 CE1 HIS A 16 0.271 -2.968 4.142 1.00 0.00 C ATOM 211 NE2 HIS A 16 -0.049 -2.555 2.919 1.00 0.00 N ATOM 212 H HIS A 16 -2.043 -5.018 1.094 1.00 0.00 H ATOM 213 HA HIS A 16 -4.292 -5.955 2.813 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.814 -5.386 4.629 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.902 -6.304 3.439 1.00 0.00 H ATOM 216 HD1 HIS A 16 -0.478 -4.428 5.425 1.00 0.00 H ATOM 217 HD2 HIS A 16 -1.597 -3.308 1.583 1.00 0.00 H ATOM 218 HE1 HIS A 16 1.093 -2.579 4.708 1.00 0.00 H ATOM 219 N ALA A 17 -3.879 -2.878 1.895 1.00 0.00 N ATOM 220 CA ALA A 17 -4.467 -1.504 2.002 1.00 0.00 C ATOM 221 C ALA A 17 -5.547 -1.280 0.939 1.00 0.00 C ATOM 222 O ALA A 17 -5.289 -1.312 -0.251 1.00 0.00 O ATOM 223 CB ALA A 17 -3.286 -0.555 1.792 1.00 0.00 C ATOM 224 H ALA A 17 -3.255 -3.080 1.177 1.00 0.00 H ATOM 225 HA ALA A 17 -4.882 -1.350 2.983 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.387 0.297 2.445 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.268 -0.224 0.763 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.364 -1.074 2.015 1.00 0.00 H ATOM 229 N ARG A 18 -6.763 -1.053 1.369 1.00 0.00 N ATOM 230 CA ARG A 18 -7.895 -0.828 0.400 1.00 0.00 C ATOM 231 C ARG A 18 -7.906 0.630 -0.100 1.00 0.00 C ATOM 232 O ARG A 18 -8.350 0.909 -1.194 1.00 0.00 O ATOM 233 CB ARG A 18 -9.179 -1.138 1.185 1.00 0.00 C ATOM 234 CG ARG A 18 -9.073 -2.524 1.841 1.00 0.00 C ATOM 235 CD ARG A 18 -8.812 -3.604 0.780 1.00 0.00 C ATOM 236 NE ARG A 18 -7.415 -4.071 1.036 1.00 0.00 N ATOM 237 CZ ARG A 18 -7.152 -5.324 1.153 1.00 0.00 C ATOM 238 NH1 ARG A 18 -7.010 -6.044 0.103 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.015 -5.843 2.324 1.00 0.00 N ATOM 240 H ARG A 18 -6.936 -1.033 2.336 1.00 0.00 H ATOM 241 HA ARG A 18 -7.813 -1.502 -0.438 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.330 -0.387 1.951 1.00 0.00 H ATOM 243 HB3 ARG A 18 -10.021 -1.130 0.508 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.266 -2.521 2.558 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.999 -2.743 2.353 1.00 0.00 H ATOM 246 HD2 ARG A 18 -9.516 -4.420 0.900 1.00 0.00 H ATOM 247 HD3 ARG A 18 -8.887 -3.187 -0.217 1.00 0.00 H ATOM 248 HE ARG A 18 -6.689 -3.416 1.118 1.00 0.00 H ATOM 249 HH11 ARG A 18 -7.109 -5.628 -0.799 1.00 0.00 H ATOM 250 HH12 ARG A 18 -6.782 -7.011 0.186 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.115 -5.271 3.139 1.00 0.00 H ATOM 252 HH22 ARG A 18 -6.803 -6.810 2.419 1.00 0.00 H ATOM 253 N CYS A 19 -7.411 1.553 0.695 1.00 0.00 N ATOM 254 CA CYS A 19 -7.374 3.000 0.270 1.00 0.00 C ATOM 255 C CYS A 19 -6.675 3.156 -1.093 1.00 0.00 C ATOM 256 O CYS A 19 -7.030 4.003 -1.888 1.00 0.00 O ATOM 257 CB CYS A 19 -6.573 3.718 1.367 1.00 0.00 C ATOM 258 SG CYS A 19 -5.933 5.292 0.733 1.00 0.00 S ATOM 259 H CYS A 19 -7.057 1.294 1.569 1.00 0.00 H ATOM 260 HA CYS A 19 -8.370 3.402 0.223 1.00 0.00 H ATOM 261 HB2 CYS A 19 -7.216 3.908 2.214 1.00 0.00 H ATOM 262 HB3 CYS A 19 -5.748 3.093 1.677 1.00 0.00 H ATOM 263 N CYS A 20 -5.695 2.341 -1.374 1.00 0.00 N ATOM 264 CA CYS A 20 -4.981 2.441 -2.692 1.00 0.00 C ATOM 265 C CYS A 20 -5.613 1.488 -3.718 1.00 0.00 C ATOM 266 O CYS A 20 -4.924 0.753 -4.395 1.00 0.00 O ATOM 267 CB CYS A 20 -3.532 2.029 -2.396 1.00 0.00 C ATOM 268 SG CYS A 20 -2.412 3.404 -2.765 1.00 0.00 S ATOM 269 H CYS A 20 -5.431 1.656 -0.727 1.00 0.00 H ATOM 270 HA CYS A 20 -5.005 3.454 -3.062 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.439 1.765 -1.353 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.265 1.177 -3.003 1.00 0.00 H HETATM 273 N NH2 A 21 -6.905 1.464 -3.868 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.306 0.859 -4.522 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.474 2.052 -3.330 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 3 HETATM 1 N PCA A 1 0.601 6.294 8.445 1.00 0.00 N HETATM 2 CA PCA A 1 0.963 5.386 7.281 1.00 0.00 C HETATM 3 CB PCA A 1 -0.253 4.469 7.093 1.00 0.00 C HETATM 4 CG PCA A 1 -1.197 4.788 8.226 1.00 0.00 C HETATM 5 CD PCA A 1 -0.505 5.887 8.997 1.00 0.00 C HETATM 6 OE PCA A 1 -0.814 6.130 10.143 1.00 0.00 O HETATM 7 C PCA A 1 1.220 6.209 6.013 1.00 0.00 C HETATM 8 O PCA A 1 0.571 7.210 5.772 1.00 0.00 O HETATM 9 H1 PCA A 1 1.347 6.258 9.161 1.00 0.00 H HETATM 10 H2 PCA A 1 0.487 7.276 8.100 1.00 0.00 H HETATM 11 HA PCA A 1 1.831 4.794 7.523 1.00 0.00 H HETATM 12 HB2 PCA A 1 0.050 3.435 7.147 1.00 0.00 H HETATM 13 HB3 PCA A 1 -0.729 4.669 6.142 1.00 0.00 H HETATM 14 HG2 PCA A 1 -1.336 3.926 8.859 1.00 0.00 H HETATM 15 HG3 PCA A 1 -2.146 5.133 7.836 1.00 0.00 H ATOM 16 N ASN A 2 2.164 5.799 5.201 1.00 0.00 N ATOM 17 CA ASN A 2 2.468 6.565 3.946 1.00 0.00 C ATOM 18 C ASN A 2 2.186 5.720 2.682 1.00 0.00 C ATOM 19 O ASN A 2 2.884 5.821 1.692 1.00 0.00 O ATOM 20 CB ASN A 2 3.961 6.896 4.050 1.00 0.00 C ATOM 21 CG ASN A 2 4.269 8.145 3.221 1.00 0.00 C ATOM 22 OD1 ASN A 2 4.074 9.250 3.671 1.00 0.00 O ATOM 23 ND2 ASN A 2 4.749 8.013 2.022 1.00 0.00 N ATOM 24 H ASN A 2 2.678 4.991 5.419 1.00 0.00 H ATOM 25 HA ASN A 2 1.898 7.480 3.917 1.00 0.00 H ATOM 26 HB2 ASN A 2 4.214 7.080 5.081 1.00 0.00 H ATOM 27 HB3 ASN A 2 4.541 6.068 3.675 1.00 0.00 H ATOM 28 HD21 ASN A 2 4.915 7.123 1.653 1.00 0.00 H ATOM 29 HD22 ASN A 2 4.940 8.811 1.485 1.00 0.00 H ATOM 30 N CYS A 3 1.159 4.899 2.698 1.00 0.00 N ATOM 31 CA CYS A 3 0.840 4.063 1.485 1.00 0.00 C ATOM 32 C CYS A 3 0.215 4.935 0.393 1.00 0.00 C ATOM 33 O CYS A 3 0.655 4.947 -0.740 1.00 0.00 O ATOM 34 CB CYS A 3 -0.145 2.986 1.953 1.00 0.00 C ATOM 35 SG CYS A 3 0.397 1.376 1.331 1.00 0.00 S ATOM 36 H CYS A 3 0.598 4.840 3.500 1.00 0.00 H ATOM 37 HA CYS A 3 1.733 3.598 1.108 1.00 0.00 H ATOM 38 HB2 CYS A 3 -0.173 2.960 3.032 1.00 0.00 H ATOM 39 HB3 CYS A 3 -1.133 3.204 1.572 1.00 0.00 H ATOM 40 N CYS A 4 -0.798 5.682 0.727 1.00 0.00 N ATOM 41 CA CYS A 4 -1.438 6.568 -0.293 1.00 0.00 C ATOM 42 C CYS A 4 -0.746 7.939 -0.355 1.00 0.00 C ATOM 43 O CYS A 4 -0.969 8.705 -1.265 1.00 0.00 O ATOM 44 CB CYS A 4 -2.887 6.724 0.159 1.00 0.00 C ATOM 45 SG CYS A 4 -3.788 5.194 -0.190 1.00 0.00 S ATOM 46 H CYS A 4 -1.133 5.667 1.644 1.00 0.00 H ATOM 47 HA CYS A 4 -1.403 6.096 -1.263 1.00 0.00 H ATOM 48 HB2 CYS A 4 -2.915 6.928 1.221 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.343 7.544 -0.375 1.00 0.00 H ATOM 50 N ASN A 5 0.116 8.241 0.580 1.00 0.00 N ATOM 51 CA ASN A 5 0.840 9.555 0.541 1.00 0.00 C ATOM 52 C ASN A 5 2.223 9.358 -0.105 1.00 0.00 C ATOM 53 O ASN A 5 3.130 10.147 0.075 1.00 0.00 O ATOM 54 CB ASN A 5 0.962 9.986 2.010 1.00 0.00 C ATOM 55 CG ASN A 5 0.298 11.350 2.204 1.00 0.00 C ATOM 56 OD1 ASN A 5 0.906 12.372 1.974 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.929 11.409 2.620 1.00 0.00 N ATOM 58 H ASN A 5 0.310 7.600 1.290 1.00 0.00 H ATOM 59 HA ASN A 5 0.268 10.279 -0.017 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.471 9.262 2.641 1.00 0.00 H ATOM 61 HB3 ASN A 5 2.004 10.055 2.285 1.00 0.00 H ATOM 62 HD21 ASN A 5 -1.420 10.587 2.816 1.00 0.00 H ATOM 63 HD22 ASN A 5 -1.361 12.282 2.741 1.00 0.00 H ATOM 64 N GLY A 6 2.370 8.296 -0.857 1.00 0.00 N ATOM 65 CA GLY A 6 3.674 7.994 -1.532 1.00 0.00 C ATOM 66 C GLY A 6 4.112 6.553 -1.226 1.00 0.00 C ATOM 67 O GLY A 6 5.288 6.279 -1.103 1.00 0.00 O ATOM 68 H GLY A 6 1.619 7.691 -0.974 1.00 0.00 H ATOM 69 HA2 GLY A 6 3.568 8.115 -2.600 1.00 0.00 H ATOM 70 HA3 GLY A 6 4.427 8.675 -1.169 1.00 0.00 H ATOM 71 N GLY A 7 3.190 5.625 -1.094 1.00 0.00 N ATOM 72 CA GLY A 7 3.598 4.207 -0.789 1.00 0.00 C ATOM 73 C GLY A 7 2.819 3.207 -1.656 1.00 0.00 C ATOM 74 O GLY A 7 2.607 2.076 -1.271 1.00 0.00 O ATOM 75 H GLY A 7 2.232 5.855 -1.185 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.655 4.088 -0.984 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.404 3.993 0.251 1.00 0.00 H ATOM 78 N CYS A 8 2.413 3.603 -2.831 1.00 0.00 N ATOM 79 CA CYS A 8 1.662 2.660 -3.728 1.00 0.00 C ATOM 80 C CYS A 8 2.557 2.152 -4.868 1.00 0.00 C ATOM 81 O CYS A 8 2.097 1.490 -5.775 1.00 0.00 O ATOM 82 CB CYS A 8 0.501 3.476 -4.297 1.00 0.00 C ATOM 83 SG CYS A 8 -0.971 2.430 -4.423 1.00 0.00 S ATOM 84 H CYS A 8 2.607 4.514 -3.129 1.00 0.00 H ATOM 85 HA CYS A 8 1.285 1.826 -3.158 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.302 4.311 -3.646 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.764 3.843 -5.276 1.00 0.00 H ATOM 88 N SER A 9 3.829 2.444 -4.825 1.00 0.00 N ATOM 89 CA SER A 9 4.764 1.959 -5.901 1.00 0.00 C ATOM 90 C SER A 9 4.798 0.417 -5.930 1.00 0.00 C ATOM 91 O SER A 9 5.024 -0.189 -6.962 1.00 0.00 O ATOM 92 CB SER A 9 6.131 2.517 -5.496 1.00 0.00 C ATOM 93 OG SER A 9 6.825 3.005 -6.644 1.00 0.00 O ATOM 94 H SER A 9 4.176 2.975 -4.083 1.00 0.00 H ATOM 95 HA SER A 9 4.477 2.344 -6.866 1.00 0.00 H ATOM 96 HB2 SER A 9 5.993 3.323 -4.794 1.00 0.00 H ATOM 97 HB3 SER A 9 6.710 1.735 -5.020 1.00 0.00 H ATOM 98 HG SER A 9 6.180 3.331 -7.286 1.00 0.00 H ATOM 99 N SER A 10 4.558 -0.223 -4.812 1.00 0.00 N ATOM 100 CA SER A 10 4.561 -1.722 -4.788 1.00 0.00 C ATOM 101 C SER A 10 3.130 -2.266 -4.734 1.00 0.00 C ATOM 102 O SER A 10 2.187 -1.562 -4.415 1.00 0.00 O ATOM 103 CB SER A 10 5.327 -2.116 -3.530 1.00 0.00 C ATOM 104 OG SER A 10 5.624 -3.510 -3.578 1.00 0.00 O ATOM 105 H SER A 10 4.363 0.277 -3.995 1.00 0.00 H ATOM 106 HA SER A 10 5.067 -2.113 -5.656 1.00 0.00 H ATOM 107 HB2 SER A 10 6.247 -1.555 -3.479 1.00 0.00 H ATOM 108 HB3 SER A 10 4.722 -1.900 -2.661 1.00 0.00 H ATOM 109 HG SER A 10 6.495 -3.650 -3.170 1.00 0.00 H ATOM 110 N LYS A 11 2.970 -3.520 -5.037 1.00 0.00 N ATOM 111 CA LYS A 11 1.607 -4.150 -5.014 1.00 0.00 C ATOM 112 C LYS A 11 1.128 -4.399 -3.572 1.00 0.00 C ATOM 113 O LYS A 11 -0.056 -4.397 -3.301 1.00 0.00 O ATOM 114 CB LYS A 11 1.767 -5.474 -5.791 1.00 0.00 C ATOM 115 CG LYS A 11 2.555 -6.499 -4.956 1.00 0.00 C ATOM 116 CD LYS A 11 2.814 -7.752 -5.803 1.00 0.00 C ATOM 117 CE LYS A 11 3.272 -8.901 -4.904 1.00 0.00 C ATOM 118 NZ LYS A 11 3.013 -10.132 -5.703 1.00 0.00 N ATOM 119 H LYS A 11 3.754 -4.052 -5.277 1.00 0.00 H ATOM 120 HA LYS A 11 0.897 -3.516 -5.526 1.00 0.00 H ATOM 121 HB2 LYS A 11 0.789 -5.874 -6.016 1.00 0.00 H ATOM 122 HB3 LYS A 11 2.295 -5.285 -6.714 1.00 0.00 H ATOM 123 HG2 LYS A 11 3.499 -6.066 -4.656 1.00 0.00 H ATOM 124 HG3 LYS A 11 1.985 -6.767 -4.079 1.00 0.00 H ATOM 125 HD2 LYS A 11 1.906 -8.037 -6.313 1.00 0.00 H ATOM 126 HD3 LYS A 11 3.584 -7.540 -6.531 1.00 0.00 H ATOM 127 HE2 LYS A 11 4.331 -8.803 -4.681 1.00 0.00 H ATOM 128 HE3 LYS A 11 2.691 -8.920 -3.992 1.00 0.00 H ATOM 129 HZ1 LYS A 11 3.475 -10.055 -6.633 1.00 0.00 H ATOM 130 HZ2 LYS A 11 1.988 -10.249 -5.839 1.00 0.00 H ATOM 131 HZ3 LYS A 11 3.390 -10.960 -5.200 1.00 0.00 H ATOM 132 N TRP A 12 2.031 -4.618 -2.647 1.00 0.00 N ATOM 133 CA TRP A 12 1.600 -4.895 -1.231 1.00 0.00 C ATOM 134 C TRP A 12 0.673 -3.805 -0.674 1.00 0.00 C ATOM 135 O TRP A 12 -0.245 -4.095 0.065 1.00 0.00 O ATOM 136 CB TRP A 12 2.899 -4.960 -0.427 1.00 0.00 C ATOM 137 CG TRP A 12 2.597 -5.375 0.976 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.622 -4.553 2.050 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.216 -6.690 1.478 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.312 -5.285 3.182 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.038 -6.600 2.878 1.00 0.00 C ATOM 142 CE3 TRP A 12 2.009 -7.941 0.868 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.675 -7.709 3.645 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.641 -9.057 1.636 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.475 -8.941 3.021 1.00 0.00 C ATOM 146 H TRP A 12 2.983 -4.620 -2.882 1.00 0.00 H ATOM 147 HA TRP A 12 1.105 -5.846 -1.185 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.560 -5.683 -0.879 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.375 -3.989 -0.424 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.865 -3.500 2.031 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.270 -4.930 4.097 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.126 -8.041 -0.200 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.542 -7.615 4.719 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.487 -10.009 1.154 1.00 0.00 H ATOM 155 HH2 TRP A 12 1.187 -9.804 3.611 1.00 0.00 H ATOM 156 N CYS A 13 0.895 -2.559 -1.022 1.00 0.00 N ATOM 157 CA CYS A 13 0.009 -1.457 -0.498 1.00 0.00 C ATOM 158 C CYS A 13 -1.466 -1.789 -0.742 1.00 0.00 C ATOM 159 O CYS A 13 -2.298 -1.573 0.105 1.00 0.00 O ATOM 160 CB CYS A 13 0.405 -0.185 -1.260 1.00 0.00 C ATOM 161 SG CYS A 13 -0.413 1.250 -0.513 1.00 0.00 S ATOM 162 H CYS A 13 1.636 -2.350 -1.624 1.00 0.00 H ATOM 163 HA CYS A 13 0.181 -1.322 0.554 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.475 -0.053 -1.210 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.103 -0.273 -2.292 1.00 0.00 H ATOM 166 N ARG A 14 -1.785 -2.340 -1.882 1.00 0.00 N ATOM 167 CA ARG A 14 -3.204 -2.716 -2.172 1.00 0.00 C ATOM 168 C ARG A 14 -3.548 -4.072 -1.515 1.00 0.00 C ATOM 169 O ARG A 14 -4.682 -4.334 -1.163 1.00 0.00 O ATOM 170 CB ARG A 14 -3.282 -2.824 -3.705 1.00 0.00 C ATOM 171 CG ARG A 14 -4.743 -2.713 -4.157 1.00 0.00 C ATOM 172 CD ARG A 14 -5.357 -4.109 -4.288 1.00 0.00 C ATOM 173 NE ARG A 14 -6.316 -4.211 -3.147 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.516 -4.646 -3.341 1.00 0.00 C ATOM 175 NH1 ARG A 14 -8.336 -3.966 -4.067 1.00 0.00 N ATOM 176 NH2 ARG A 14 -7.894 -5.740 -2.788 1.00 0.00 N ATOM 177 H ARG A 14 -1.086 -2.529 -2.537 1.00 0.00 H ATOM 178 HA ARG A 14 -3.876 -1.945 -1.821 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.708 -2.027 -4.152 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.877 -3.777 -4.024 1.00 0.00 H ATOM 181 HG2 ARG A 14 -5.302 -2.140 -3.430 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.788 -2.214 -5.113 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.876 -4.199 -5.235 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.595 -4.871 -4.201 1.00 0.00 H ATOM 185 HE ARG A 14 -6.027 -3.962 -2.237 1.00 0.00 H ATOM 186 HH11 ARG A 14 -8.038 -3.107 -4.475 1.00 0.00 H ATOM 187 HH12 ARG A 14 -9.259 -4.304 -4.229 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.257 -6.248 -2.208 1.00 0.00 H ATOM 189 HH22 ARG A 14 -8.816 -6.087 -2.940 1.00 0.00 H ATOM 190 N ASP A 15 -2.573 -4.931 -1.359 1.00 0.00 N ATOM 191 CA ASP A 15 -2.806 -6.277 -0.751 1.00 0.00 C ATOM 192 C ASP A 15 -3.461 -6.183 0.639 1.00 0.00 C ATOM 193 O ASP A 15 -4.525 -6.729 0.888 1.00 0.00 O ATOM 194 CB ASP A 15 -1.397 -6.881 -0.627 1.00 0.00 C ATOM 195 CG ASP A 15 -1.455 -8.373 -0.947 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.224 -9.067 -0.303 1.00 0.00 O ATOM 197 OD2 ASP A 15 -0.740 -8.800 -1.836 1.00 0.00 O ATOM 198 H ASP A 15 -1.676 -4.696 -1.652 1.00 0.00 H ATOM 199 HA ASP A 15 -3.404 -6.883 -1.409 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.729 -6.383 -1.317 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.032 -6.741 0.380 1.00 0.00 H ATOM 202 N HIS A 16 -2.807 -5.516 1.540 1.00 0.00 N ATOM 203 CA HIS A 16 -3.324 -5.392 2.942 1.00 0.00 C ATOM 204 C HIS A 16 -3.962 -4.023 3.237 1.00 0.00 C ATOM 205 O HIS A 16 -4.556 -3.834 4.277 1.00 0.00 O ATOM 206 CB HIS A 16 -2.066 -5.610 3.798 1.00 0.00 C ATOM 207 CG HIS A 16 -1.107 -4.448 3.663 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.101 -4.226 4.580 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.964 -3.465 2.712 1.00 0.00 C ATOM 210 CE1 HIS A 16 0.597 -3.157 4.159 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.109 -2.654 3.031 1.00 0.00 N ATOM 212 H HIS A 16 -1.952 -5.114 1.301 1.00 0.00 H ATOM 213 HA HIS A 16 -4.037 -6.179 3.149 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.348 -5.727 4.833 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.570 -6.506 3.455 1.00 0.00 H ATOM 216 HD1 HIS A 16 0.065 -4.749 5.391 1.00 0.00 H ATOM 217 HD2 HIS A 16 -1.582 -3.352 1.839 1.00 0.00 H ATOM 218 HE1 HIS A 16 1.476 -2.786 4.645 1.00 0.00 H ATOM 219 N ALA A 17 -3.836 -3.070 2.355 1.00 0.00 N ATOM 220 CA ALA A 17 -4.426 -1.720 2.638 1.00 0.00 C ATOM 221 C ALA A 17 -5.551 -1.368 1.648 1.00 0.00 C ATOM 222 O ALA A 17 -5.353 -1.323 0.451 1.00 0.00 O ATOM 223 CB ALA A 17 -3.247 -0.749 2.500 1.00 0.00 C ATOM 224 H ALA A 17 -3.346 -3.236 1.523 1.00 0.00 H ATOM 225 HA ALA A 17 -4.802 -1.687 3.645 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.306 0.000 3.274 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.283 -0.275 1.530 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.321 -1.295 2.597 1.00 0.00 H ATOM 229 N ARG A 18 -6.728 -1.099 2.157 1.00 0.00 N ATOM 230 CA ARG A 18 -7.876 -0.735 1.264 1.00 0.00 C ATOM 231 C ARG A 18 -7.823 0.751 0.829 1.00 0.00 C ATOM 232 O ARG A 18 -8.796 1.293 0.352 1.00 0.00 O ATOM 233 CB ARG A 18 -9.125 -0.997 2.107 1.00 0.00 C ATOM 234 CG ARG A 18 -9.162 -0.031 3.306 1.00 0.00 C ATOM 235 CD ARG A 18 -9.504 -0.816 4.577 1.00 0.00 C ATOM 236 NE ARG A 18 -8.391 -0.520 5.531 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.647 -0.202 6.750 1.00 0.00 C ATOM 238 NH1 ARG A 18 -8.835 -1.125 7.614 1.00 0.00 N ATOM 239 NH2 ARG A 18 -8.686 1.029 7.105 1.00 0.00 N ATOM 240 H ARG A 18 -6.854 -1.133 3.130 1.00 0.00 H ATOM 241 HA ARG A 18 -7.885 -1.373 0.391 1.00 0.00 H ATOM 242 HB2 ARG A 18 -10.002 -0.845 1.495 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.107 -2.016 2.464 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.200 0.447 3.421 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.920 0.722 3.136 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.449 -0.479 4.983 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.542 -1.875 4.367 1.00 0.00 H ATOM 248 HE ARG A 18 -7.462 -0.590 5.239 1.00 0.00 H ATOM 249 HH11 ARG A 18 -8.779 -2.080 7.337 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.038 -0.885 8.556 1.00 0.00 H ATOM 251 HH21 ARG A 18 -8.514 1.744 6.435 1.00 0.00 H ATOM 252 HH22 ARG A 18 -8.890 1.269 8.051 1.00 0.00 H ATOM 253 N CYS A 19 -6.698 1.407 0.987 1.00 0.00 N ATOM 254 CA CYS A 19 -6.591 2.854 0.577 1.00 0.00 C ATOM 255 C CYS A 19 -6.105 2.980 -0.881 1.00 0.00 C ATOM 256 O CYS A 19 -6.501 3.875 -1.600 1.00 0.00 O ATOM 257 CB CYS A 19 -5.571 3.476 1.545 1.00 0.00 C ATOM 258 SG CYS A 19 -5.315 5.219 1.126 1.00 0.00 S ATOM 259 H CYS A 19 -5.921 0.953 1.377 1.00 0.00 H ATOM 260 HA CYS A 19 -7.543 3.342 0.688 1.00 0.00 H ATOM 261 HB2 CYS A 19 -5.938 3.404 2.562 1.00 0.00 H ATOM 262 HB3 CYS A 19 -4.633 2.949 1.469 1.00 0.00 H ATOM 263 N CYS A 20 -5.260 2.090 -1.326 1.00 0.00 N ATOM 264 CA CYS A 20 -4.754 2.169 -2.742 1.00 0.00 C ATOM 265 C CYS A 20 -5.608 1.295 -3.667 1.00 0.00 C ATOM 266 O CYS A 20 -5.185 0.252 -4.106 1.00 0.00 O ATOM 267 CB CYS A 20 -3.308 1.661 -2.683 1.00 0.00 C ATOM 268 SG CYS A 20 -2.179 3.050 -2.934 1.00 0.00 S ATOM 269 H CYS A 20 -4.959 1.369 -0.733 1.00 0.00 H ATOM 270 HA CYS A 20 -4.769 3.192 -3.085 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.121 1.214 -1.719 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.150 0.922 -3.459 1.00 0.00 H HETATM 273 N NH2 A 21 -6.802 1.684 -3.985 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.351 1.131 -4.578 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.154 2.528 -3.632 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 4 HETATM 1 N PCA A 1 -0.884 4.957 8.478 1.00 0.00 N HETATM 2 CA PCA A 1 0.310 4.695 7.571 1.00 0.00 C HETATM 3 CB PCA A 1 0.115 3.258 7.052 1.00 0.00 C HETATM 4 CG PCA A 1 -1.196 2.774 7.626 1.00 0.00 C HETATM 5 CD PCA A 1 -1.682 3.925 8.473 1.00 0.00 C HETATM 6 OE PCA A 1 -2.782 3.908 8.986 1.00 0.00 O HETATM 7 C PCA A 1 0.330 5.689 6.403 1.00 0.00 C HETATM 8 O PCA A 1 -0.630 6.394 6.164 1.00 0.00 O HETATM 9 H1 PCA A 1 -0.558 5.104 9.449 1.00 0.00 H HETATM 10 H2 PCA A 1 -1.398 5.804 8.144 1.00 0.00 H HETATM 11 HA PCA A 1 1.227 4.763 8.131 1.00 0.00 H HETATM 12 HB2 PCA A 1 0.920 2.630 7.399 1.00 0.00 H HETATM 13 HB3 PCA A 1 0.077 3.254 5.972 1.00 0.00 H HETATM 14 HG2 PCA A 1 -1.039 1.903 8.242 1.00 0.00 H HETATM 15 HG3 PCA A 1 -1.898 2.558 6.831 1.00 0.00 H ATOM 16 N ASN A 2 1.418 5.755 5.675 1.00 0.00 N ATOM 17 CA ASN A 2 1.493 6.712 4.523 1.00 0.00 C ATOM 18 C ASN A 2 1.621 5.967 3.181 1.00 0.00 C ATOM 19 O ASN A 2 2.141 6.500 2.223 1.00 0.00 O ATOM 20 CB ASN A 2 2.739 7.566 4.798 1.00 0.00 C ATOM 21 CG ASN A 2 2.327 8.886 5.442 1.00 0.00 C ATOM 22 OD1 ASN A 2 1.513 8.908 6.338 1.00 0.00 O ATOM 23 ND2 ASN A 2 2.861 9.990 5.033 1.00 0.00 N ATOM 24 H ASN A 2 2.185 5.179 5.888 1.00 0.00 H ATOM 25 HA ASN A 2 0.619 7.340 4.511 1.00 0.00 H ATOM 26 HB2 ASN A 2 3.405 7.040 5.464 1.00 0.00 H ATOM 27 HB3 ASN A 2 3.249 7.771 3.867 1.00 0.00 H ATOM 28 HD21 ASN A 2 3.528 9.977 4.316 1.00 0.00 H ATOM 29 HD22 ASN A 2 2.595 10.836 5.440 1.00 0.00 H ATOM 30 N CYS A 3 1.133 4.752 3.099 1.00 0.00 N ATOM 31 CA CYS A 3 1.222 3.978 1.805 1.00 0.00 C ATOM 32 C CYS A 3 0.535 4.734 0.657 1.00 0.00 C ATOM 33 O CYS A 3 0.948 4.667 -0.482 1.00 0.00 O ATOM 34 CB CYS A 3 0.508 2.651 2.074 1.00 0.00 C ATOM 35 SG CYS A 3 1.319 1.331 1.139 1.00 0.00 S ATOM 36 H CYS A 3 0.704 4.354 3.878 1.00 0.00 H ATOM 37 HA CYS A 3 2.252 3.792 1.552 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.559 2.423 3.129 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.525 2.724 1.770 1.00 0.00 H ATOM 40 N CYS A 4 -0.515 5.459 0.951 1.00 0.00 N ATOM 41 CA CYS A 4 -1.227 6.227 -0.128 1.00 0.00 C ATOM 42 C CYS A 4 -0.641 7.640 -0.299 1.00 0.00 C ATOM 43 O CYS A 4 -1.048 8.383 -1.165 1.00 0.00 O ATOM 44 CB CYS A 4 -2.679 6.322 0.336 1.00 0.00 C ATOM 45 SG CYS A 4 -3.638 4.967 -0.387 1.00 0.00 S ATOM 46 H CYS A 4 -0.829 5.503 1.877 1.00 0.00 H ATOM 47 HA CYS A 4 -1.174 5.692 -1.063 1.00 0.00 H ATOM 48 HB2 CYS A 4 -2.715 6.252 1.413 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.090 7.271 0.028 1.00 0.00 H ATOM 50 N ASN A 5 0.326 8.005 0.501 1.00 0.00 N ATOM 51 CA ASN A 5 0.950 9.361 0.367 1.00 0.00 C ATOM 52 C ASN A 5 2.301 9.238 -0.359 1.00 0.00 C ATOM 53 O ASN A 5 3.191 10.056 -0.205 1.00 0.00 O ATOM 54 CB ASN A 5 1.130 9.865 1.805 1.00 0.00 C ATOM 55 CG ASN A 5 -0.074 10.722 2.212 1.00 0.00 C ATOM 56 OD1 ASN A 5 -1.082 10.750 1.535 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.013 11.433 3.295 1.00 0.00 N ATOM 58 H ASN A 5 0.656 7.381 1.175 1.00 0.00 H ATOM 59 HA ASN A 5 0.296 10.023 -0.179 1.00 0.00 H ATOM 60 HB2 ASN A 5 1.214 9.022 2.472 1.00 0.00 H ATOM 61 HB3 ASN A 5 2.027 10.461 1.866 1.00 0.00 H ATOM 62 HD21 ASN A 5 0.794 11.421 3.846 1.00 0.00 H ATOM 63 HD22 ASN A 5 -0.781 11.981 3.561 1.00 0.00 H ATOM 64 N GLY A 6 2.446 8.208 -1.148 1.00 0.00 N ATOM 65 CA GLY A 6 3.718 7.989 -1.903 1.00 0.00 C ATOM 66 C GLY A 6 4.240 6.563 -1.676 1.00 0.00 C ATOM 67 O GLY A 6 5.433 6.334 -1.692 1.00 0.00 O ATOM 68 H GLY A 6 1.713 7.574 -1.244 1.00 0.00 H ATOM 69 HA2 GLY A 6 3.542 8.142 -2.959 1.00 0.00 H ATOM 70 HA3 GLY A 6 4.458 8.692 -1.561 1.00 0.00 H ATOM 71 N GLY A 7 3.371 5.602 -1.467 1.00 0.00 N ATOM 72 CA GLY A 7 3.845 4.196 -1.247 1.00 0.00 C ATOM 73 C GLY A 7 2.906 3.204 -1.943 1.00 0.00 C ATOM 74 O GLY A 7 2.706 2.103 -1.479 1.00 0.00 O ATOM 75 H GLY A 7 2.409 5.799 -1.453 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.844 4.086 -1.649 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.863 3.987 -0.190 1.00 0.00 H ATOM 78 N CYS A 8 2.330 3.586 -3.056 1.00 0.00 N ATOM 79 CA CYS A 8 1.390 2.661 -3.778 1.00 0.00 C ATOM 80 C CYS A 8 2.050 2.036 -5.013 1.00 0.00 C ATOM 81 O CYS A 8 1.448 1.247 -5.706 1.00 0.00 O ATOM 82 CB CYS A 8 0.212 3.538 -4.194 1.00 0.00 C ATOM 83 SG CYS A 8 -1.304 2.549 -4.234 1.00 0.00 S ATOM 84 H CYS A 8 2.504 4.484 -3.410 1.00 0.00 H ATOM 85 HA CYS A 8 1.051 1.884 -3.115 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.101 4.341 -3.483 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.397 3.949 -5.174 1.00 0.00 H ATOM 88 N SER A 9 3.288 2.355 -5.284 1.00 0.00 N ATOM 89 CA SER A 9 3.971 1.741 -6.466 1.00 0.00 C ATOM 90 C SER A 9 4.197 0.240 -6.227 1.00 0.00 C ATOM 91 O SER A 9 4.318 -0.536 -7.154 1.00 0.00 O ATOM 92 CB SER A 9 5.298 2.474 -6.575 1.00 0.00 C ATOM 93 OG SER A 9 5.538 2.795 -7.942 1.00 0.00 O ATOM 94 H SER A 9 3.773 2.981 -4.706 1.00 0.00 H ATOM 95 HA SER A 9 3.389 1.894 -7.360 1.00 0.00 H ATOM 96 HB2 SER A 9 5.255 3.380 -5.994 1.00 0.00 H ATOM 97 HB3 SER A 9 6.088 1.844 -6.187 1.00 0.00 H ATOM 98 HG SER A 9 6.454 2.561 -8.145 1.00 0.00 H ATOM 99 N SER A 10 4.241 -0.176 -4.986 1.00 0.00 N ATOM 100 CA SER A 10 4.443 -1.624 -4.684 1.00 0.00 C ATOM 101 C SER A 10 3.096 -2.346 -4.642 1.00 0.00 C ATOM 102 O SER A 10 2.085 -1.790 -4.253 1.00 0.00 O ATOM 103 CB SER A 10 5.106 -1.669 -3.309 1.00 0.00 C ATOM 104 OG SER A 10 6.481 -2.008 -3.450 1.00 0.00 O ATOM 105 H SER A 10 4.130 0.461 -4.254 1.00 0.00 H ATOM 106 HA SER A 10 5.087 -2.079 -5.419 1.00 0.00 H ATOM 107 HB2 SER A 10 5.024 -0.710 -2.837 1.00 0.00 H ATOM 108 HB3 SER A 10 4.604 -2.412 -2.700 1.00 0.00 H ATOM 109 HG SER A 10 6.547 -2.943 -3.684 1.00 0.00 H ATOM 110 N LYS A 11 3.089 -3.584 -5.039 1.00 0.00 N ATOM 111 CA LYS A 11 1.818 -4.380 -5.045 1.00 0.00 C ATOM 112 C LYS A 11 1.298 -4.613 -3.615 1.00 0.00 C ATOM 113 O LYS A 11 0.110 -4.559 -3.367 1.00 0.00 O ATOM 114 CB LYS A 11 2.187 -5.715 -5.717 1.00 0.00 C ATOM 115 CG LYS A 11 2.439 -5.488 -7.210 1.00 0.00 C ATOM 116 CD LYS A 11 1.108 -5.543 -7.969 1.00 0.00 C ATOM 117 CE LYS A 11 1.359 -5.324 -9.467 1.00 0.00 C ATOM 118 NZ LYS A 11 1.307 -6.691 -10.059 1.00 0.00 N ATOM 119 H LYS A 11 3.925 -3.988 -5.335 1.00 0.00 H ATOM 120 HA LYS A 11 1.066 -3.873 -5.632 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.081 -6.117 -5.258 1.00 0.00 H ATOM 122 HB3 LYS A 11 1.375 -6.416 -5.594 1.00 0.00 H ATOM 123 HG2 LYS A 11 2.898 -4.519 -7.355 1.00 0.00 H ATOM 124 HG3 LYS A 11 3.101 -6.256 -7.586 1.00 0.00 H ATOM 125 HD2 LYS A 11 0.644 -6.508 -7.818 1.00 0.00 H ATOM 126 HD3 LYS A 11 0.451 -4.769 -7.603 1.00 0.00 H ATOM 127 HE2 LYS A 11 0.584 -4.693 -9.889 1.00 0.00 H ATOM 128 HE3 LYS A 11 2.332 -4.885 -9.627 1.00 0.00 H ATOM 129 HZ1 LYS A 11 1.786 -7.366 -9.430 1.00 0.00 H ATOM 130 HZ2 LYS A 11 1.784 -6.692 -10.983 1.00 0.00 H ATOM 131 HZ3 LYS A 11 0.316 -6.980 -10.184 1.00 0.00 H ATOM 132 N TRP A 12 2.180 -4.873 -2.677 1.00 0.00 N ATOM 133 CA TRP A 12 1.737 -5.127 -1.263 1.00 0.00 C ATOM 134 C TRP A 12 0.862 -3.980 -0.731 1.00 0.00 C ATOM 135 O TRP A 12 -0.095 -4.214 -0.026 1.00 0.00 O ATOM 136 CB TRP A 12 3.033 -5.245 -0.456 1.00 0.00 C ATOM 137 CG TRP A 12 2.725 -5.488 0.988 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.919 -4.589 1.981 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.188 -6.690 1.622 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.539 -5.163 3.184 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.081 -6.453 3.013 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.783 -7.948 1.137 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.598 -7.426 3.886 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.295 -8.926 2.017 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.201 -8.664 3.388 1.00 0.00 C ATOM 146 H TRP A 12 3.134 -4.916 -2.905 1.00 0.00 H ATOM 147 HA TRP A 12 1.194 -6.054 -1.207 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.617 -6.071 -0.836 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.604 -4.332 -0.551 1.00 0.00 H ATOM 150 HD1 TRP A 12 3.287 -3.583 1.857 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.581 -4.725 4.061 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.844 -8.167 0.083 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.526 -7.218 4.941 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.986 -9.888 1.631 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.825 -9.421 4.055 1.00 0.00 H ATOM 156 N CYS A 13 1.176 -2.755 -1.066 1.00 0.00 N ATOM 157 CA CYS A 13 0.352 -1.601 -0.563 1.00 0.00 C ATOM 158 C CYS A 13 -1.142 -1.833 -0.815 1.00 0.00 C ATOM 159 O CYS A 13 -1.960 -1.645 0.056 1.00 0.00 O ATOM 160 CB CYS A 13 0.832 -0.357 -1.321 1.00 0.00 C ATOM 161 SG CYS A 13 0.172 1.119 -0.505 1.00 0.00 S ATOM 162 H CYS A 13 1.952 -2.596 -1.637 1.00 0.00 H ATOM 163 HA CYS A 13 0.519 -1.466 0.489 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.915 -0.318 -1.316 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.478 -0.394 -2.339 1.00 0.00 H ATOM 166 N ARG A 14 -1.508 -2.258 -1.991 1.00 0.00 N ATOM 167 CA ARG A 14 -2.963 -2.511 -2.279 1.00 0.00 C ATOM 168 C ARG A 14 -3.457 -3.765 -1.532 1.00 0.00 C ATOM 169 O ARG A 14 -4.637 -3.910 -1.263 1.00 0.00 O ATOM 170 CB ARG A 14 -3.030 -2.725 -3.797 1.00 0.00 C ATOM 171 CG ARG A 14 -4.418 -2.332 -4.312 1.00 0.00 C ATOM 172 CD ARG A 14 -5.291 -3.586 -4.447 1.00 0.00 C ATOM 173 NE ARG A 14 -6.158 -3.575 -3.228 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.433 -3.748 -3.328 1.00 0.00 C ATOM 175 NH1 ARG A 14 -8.120 -3.041 -4.155 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.014 -4.637 -2.599 1.00 0.00 N ATOM 177 H ARG A 14 -0.836 -2.423 -2.679 1.00 0.00 H ATOM 178 HA ARG A 14 -3.557 -1.655 -2.004 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.282 -2.111 -4.276 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.842 -3.764 -4.024 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.878 -1.640 -3.620 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.320 -1.858 -5.279 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.896 -3.529 -5.347 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.681 -4.477 -4.460 1.00 0.00 H ATOM 185 HE ARG A 14 -5.749 -3.452 -2.339 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.659 -2.362 -4.724 1.00 0.00 H ATOM 187 HH12 ARG A 14 -9.109 -3.169 -4.224 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.475 -5.193 -1.968 1.00 0.00 H ATOM 189 HH22 ARG A 14 -8.999 -4.774 -2.669 1.00 0.00 H ATOM 190 N ASP A 15 -2.564 -4.666 -1.209 1.00 0.00 N ATOM 191 CA ASP A 15 -2.945 -5.923 -0.499 1.00 0.00 C ATOM 192 C ASP A 15 -3.499 -5.641 0.913 1.00 0.00 C ATOM 193 O ASP A 15 -4.620 -5.996 1.241 1.00 0.00 O ATOM 194 CB ASP A 15 -1.620 -6.685 -0.393 1.00 0.00 C ATOM 195 CG ASP A 15 -1.831 -8.152 -0.744 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.665 -8.775 -0.116 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.163 -8.630 -1.642 1.00 0.00 O ATOM 198 H ASP A 15 -1.628 -4.521 -1.442 1.00 0.00 H ATOM 199 HA ASP A 15 -3.648 -6.490 -1.080 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.900 -6.250 -1.071 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.246 -6.605 0.618 1.00 0.00 H ATOM 202 N HIS A 16 -2.705 -5.034 1.745 1.00 0.00 N ATOM 203 CA HIS A 16 -3.136 -4.745 3.151 1.00 0.00 C ATOM 204 C HIS A 16 -3.717 -3.320 3.284 1.00 0.00 C ATOM 205 O HIS A 16 -4.517 -3.042 4.160 1.00 0.00 O ATOM 206 CB HIS A 16 -1.845 -4.893 3.974 1.00 0.00 C ATOM 207 CG HIS A 16 -0.856 -3.860 3.524 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.902 -2.547 3.941 1.00 0.00 N ATOM 209 CD2 HIS A 16 0.170 -3.932 2.636 1.00 0.00 C ATOM 210 CE1 HIS A 16 0.073 -1.886 3.298 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.761 -2.682 2.492 1.00 0.00 N ATOM 212 H HIS A 16 -1.807 -4.781 1.451 1.00 0.00 H ATOM 213 HA HIS A 16 -3.858 -5.474 3.475 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.061 -4.763 5.022 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.423 -5.872 3.814 1.00 0.00 H ATOM 216 HD1 HIS A 16 -1.537 -2.166 4.583 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.470 -4.827 2.111 1.00 0.00 H ATOM 218 HE1 HIS A 16 0.249 -0.839 3.385 1.00 0.00 H ATOM 219 N ALA A 17 -3.303 -2.411 2.442 1.00 0.00 N ATOM 220 CA ALA A 17 -3.814 -1.012 2.537 1.00 0.00 C ATOM 221 C ALA A 17 -4.998 -0.791 1.584 1.00 0.00 C ATOM 222 O ALA A 17 -4.834 -0.625 0.388 1.00 0.00 O ATOM 223 CB ALA A 17 -2.610 -0.149 2.142 1.00 0.00 C ATOM 224 H ALA A 17 -2.647 -2.646 1.750 1.00 0.00 H ATOM 225 HA ALA A 17 -4.107 -0.792 3.553 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.505 0.672 2.831 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.755 0.232 1.141 1.00 0.00 H ATOM 228 HB3 ALA A 17 -1.712 -0.754 2.162 1.00 0.00 H ATOM 229 N ARG A 18 -6.193 -0.785 2.118 1.00 0.00 N ATOM 230 CA ARG A 18 -7.416 -0.575 1.264 1.00 0.00 C ATOM 231 C ARG A 18 -7.409 0.806 0.578 1.00 0.00 C ATOM 232 O ARG A 18 -8.019 0.985 -0.461 1.00 0.00 O ATOM 233 CB ARG A 18 -8.623 -0.712 2.212 1.00 0.00 C ATOM 234 CG ARG A 18 -8.402 0.076 3.515 1.00 0.00 C ATOM 235 CD ARG A 18 -8.327 -0.904 4.687 1.00 0.00 C ATOM 236 NE ARG A 18 -7.455 -0.229 5.698 1.00 0.00 N ATOM 237 CZ ARG A 18 -7.945 0.692 6.469 1.00 0.00 C ATOM 238 NH1 ARG A 18 -8.628 0.363 7.509 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.748 1.934 6.193 1.00 0.00 N ATOM 240 H ARG A 18 -6.285 -0.917 3.083 1.00 0.00 H ATOM 241 HA ARG A 18 -7.466 -1.352 0.515 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.508 -0.336 1.717 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.766 -1.756 2.448 1.00 0.00 H ATOM 244 HG2 ARG A 18 -7.481 0.635 3.450 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.227 0.755 3.673 1.00 0.00 H ATOM 246 HD2 ARG A 18 -9.319 -1.077 5.091 1.00 0.00 H ATOM 247 HD3 ARG A 18 -7.885 -1.841 4.372 1.00 0.00 H ATOM 248 HE ARG A 18 -6.510 -0.491 5.790 1.00 0.00 H ATOM 249 HH11 ARG A 18 -8.773 -0.599 7.725 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.009 1.070 8.098 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.218 2.190 5.388 1.00 0.00 H ATOM 252 HH22 ARG A 18 -8.127 2.640 6.785 1.00 0.00 H ATOM 253 N CYS A 19 -6.729 1.783 1.138 1.00 0.00 N ATOM 254 CA CYS A 19 -6.697 3.144 0.492 1.00 0.00 C ATOM 255 C CYS A 19 -6.059 3.078 -0.907 1.00 0.00 C ATOM 256 O CYS A 19 -6.281 3.936 -1.736 1.00 0.00 O ATOM 257 CB CYS A 19 -5.869 4.037 1.433 1.00 0.00 C ATOM 258 SG CYS A 19 -4.096 3.768 1.172 1.00 0.00 S ATOM 259 H CYS A 19 -6.237 1.623 1.967 1.00 0.00 H ATOM 260 HA CYS A 19 -7.702 3.540 0.417 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.105 5.073 1.232 1.00 0.00 H ATOM 262 HB3 CYS A 19 -6.119 3.806 2.458 1.00 0.00 H ATOM 263 N CYS A 20 -5.283 2.054 -1.182 1.00 0.00 N ATOM 264 CA CYS A 20 -4.643 1.930 -2.535 1.00 0.00 C ATOM 265 C CYS A 20 -5.467 1.011 -3.452 1.00 0.00 C ATOM 266 O CYS A 20 -4.977 0.529 -4.448 1.00 0.00 O ATOM 267 CB CYS A 20 -3.260 1.329 -2.282 1.00 0.00 C ATOM 268 SG CYS A 20 -2.019 2.646 -2.348 1.00 0.00 S ATOM 269 H CYS A 20 -5.129 1.360 -0.505 1.00 0.00 H ATOM 270 HA CYS A 20 -4.537 2.904 -2.986 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.236 0.858 -1.309 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.043 0.595 -3.044 1.00 0.00 H HETATM 273 N NH2 A 21 -6.703 0.741 -3.162 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.218 0.150 -3.742 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.113 1.117 -2.360 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 5 HETATM 1 N PCA A 1 -0.098 5.015 8.430 1.00 0.00 N HETATM 2 CA PCA A 1 0.581 4.493 7.174 1.00 0.00 C HETATM 3 CB PCA A 1 -0.247 3.264 6.779 1.00 0.00 C HETATM 4 CG PCA A 1 -1.113 2.950 7.979 1.00 0.00 C HETATM 5 CD PCA A 1 -0.803 4.054 8.961 1.00 0.00 C HETATM 6 OE PCA A 1 -0.836 3.836 10.154 1.00 0.00 O HETATM 7 C PCA A 1 0.575 5.539 6.055 1.00 0.00 C HETATM 8 O PCA A 1 -0.366 6.292 5.897 1.00 0.00 O HETATM 9 H1 PCA A 1 0.612 5.315 9.120 1.00 0.00 H HETATM 10 H2 PCA A 1 -0.723 5.820 8.187 1.00 0.00 H HETATM 11 HA PCA A 1 1.594 4.190 7.395 1.00 0.00 H HETATM 12 HB2 PCA A 1 0.405 2.428 6.574 1.00 0.00 H HETATM 13 HB3 PCA A 1 -0.859 3.484 5.916 1.00 0.00 H HETATM 14 HG2 PCA A 1 -0.843 1.996 8.402 1.00 0.00 H HETATM 15 HG3 PCA A 1 -2.160 2.967 7.711 1.00 0.00 H ATOM 16 N ASN A 2 1.626 5.594 5.275 1.00 0.00 N ATOM 17 CA ASN A 2 1.687 6.600 4.166 1.00 0.00 C ATOM 18 C ASN A 2 1.560 5.915 2.794 1.00 0.00 C ATOM 19 O ASN A 2 2.077 6.394 1.805 1.00 0.00 O ATOM 20 CB ASN A 2 3.064 7.265 4.314 1.00 0.00 C ATOM 21 CG ASN A 2 3.154 8.015 5.647 1.00 0.00 C ATOM 22 OD1 ASN A 2 2.804 7.488 6.680 1.00 0.00 O ATOM 23 ND2 ASN A 2 3.637 9.220 5.676 1.00 0.00 N ATOM 24 H ASN A 2 2.377 4.981 5.419 1.00 0.00 H ATOM 25 HA ASN A 2 0.907 7.336 4.288 1.00 0.00 H ATOM 26 HB2 ASN A 2 3.833 6.505 4.286 1.00 0.00 H ATOM 27 HB3 ASN A 2 3.218 7.959 3.502 1.00 0.00 H ATOM 28 HD21 ASN A 2 3.946 9.643 4.851 1.00 0.00 H ATOM 29 HD22 ASN A 2 3.701 9.700 6.531 1.00 0.00 H ATOM 30 N CYS A 3 0.878 4.798 2.731 1.00 0.00 N ATOM 31 CA CYS A 3 0.717 4.064 1.422 1.00 0.00 C ATOM 32 C CYS A 3 0.165 4.984 0.318 1.00 0.00 C ATOM 33 O CYS A 3 0.619 4.952 -0.807 1.00 0.00 O ATOM 34 CB CYS A 3 -0.276 2.926 1.704 1.00 0.00 C ATOM 35 SG CYS A 3 0.395 1.356 1.102 1.00 0.00 S ATOM 36 H CYS A 3 0.475 4.435 3.547 1.00 0.00 H ATOM 37 HA CYS A 3 1.661 3.654 1.116 1.00 0.00 H ATOM 38 HB2 CYS A 3 -0.456 2.852 2.764 1.00 0.00 H ATOM 39 HB3 CYS A 3 -1.209 3.131 1.198 1.00 0.00 H ATOM 40 N CYS A 4 -0.813 5.797 0.618 1.00 0.00 N ATOM 41 CA CYS A 4 -1.381 6.703 -0.439 1.00 0.00 C ATOM 42 C CYS A 4 -0.633 8.045 -0.504 1.00 0.00 C ATOM 43 O CYS A 4 -0.818 8.817 -1.424 1.00 0.00 O ATOM 44 CB CYS A 4 -2.837 6.918 -0.030 1.00 0.00 C ATOM 45 SG CYS A 4 -3.782 5.418 -0.393 1.00 0.00 S ATOM 46 H CYS A 4 -1.176 5.810 1.526 1.00 0.00 H ATOM 47 HA CYS A 4 -1.340 6.216 -1.404 1.00 0.00 H ATOM 48 HB2 CYS A 4 -2.885 7.130 1.030 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.246 7.749 -0.581 1.00 0.00 H ATOM 50 N ASN A 5 0.230 8.310 0.440 1.00 0.00 N ATOM 51 CA ASN A 5 1.012 9.586 0.417 1.00 0.00 C ATOM 52 C ASN A 5 2.414 9.320 -0.155 1.00 0.00 C ATOM 53 O ASN A 5 3.353 10.061 0.078 1.00 0.00 O ATOM 54 CB ASN A 5 1.087 10.035 1.885 1.00 0.00 C ATOM 55 CG ASN A 5 0.267 11.315 2.067 1.00 0.00 C ATOM 56 OD1 ASN A 5 0.617 12.351 1.553 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.816 11.291 2.782 1.00 0.00 N ATOM 58 H ASN A 5 0.389 7.659 1.144 1.00 0.00 H ATOM 59 HA ASN A 5 0.505 10.332 -0.175 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.691 9.261 2.526 1.00 0.00 H ATOM 61 HB3 ASN A 5 2.115 10.228 2.150 1.00 0.00 H ATOM 62 HD21 ASN A 5 -1.110 10.459 3.206 1.00 0.00 H ATOM 63 HD22 ASN A 5 -1.341 12.111 2.896 1.00 0.00 H ATOM 64 N GLY A 6 2.548 8.258 -0.908 1.00 0.00 N ATOM 65 CA GLY A 6 3.868 7.902 -1.512 1.00 0.00 C ATOM 66 C GLY A 6 4.211 6.427 -1.249 1.00 0.00 C ATOM 67 O GLY A 6 5.367 6.074 -1.119 1.00 0.00 O ATOM 68 H GLY A 6 1.773 7.690 -1.071 1.00 0.00 H ATOM 69 HA2 GLY A 6 3.832 8.075 -2.580 1.00 0.00 H ATOM 70 HA3 GLY A 6 4.632 8.523 -1.078 1.00 0.00 H ATOM 71 N GLY A 7 3.228 5.560 -1.168 1.00 0.00 N ATOM 72 CA GLY A 7 3.526 4.109 -0.910 1.00 0.00 C ATOM 73 C GLY A 7 2.705 3.210 -1.846 1.00 0.00 C ATOM 74 O GLY A 7 2.389 2.084 -1.517 1.00 0.00 O ATOM 75 H GLY A 7 2.294 5.857 -1.269 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.580 3.923 -1.075 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.277 3.871 0.109 1.00 0.00 H ATOM 78 N CYS A 8 2.363 3.689 -3.015 1.00 0.00 N ATOM 79 CA CYS A 8 1.563 2.849 -3.969 1.00 0.00 C ATOM 80 C CYS A 8 2.446 2.320 -5.111 1.00 0.00 C ATOM 81 O CYS A 8 1.959 1.746 -6.068 1.00 0.00 O ATOM 82 CB CYS A 8 0.482 3.785 -4.520 1.00 0.00 C ATOM 83 SG CYS A 8 -1.074 2.874 -4.706 1.00 0.00 S ATOM 84 H CYS A 8 2.636 4.594 -3.269 1.00 0.00 H ATOM 85 HA CYS A 8 1.106 2.025 -3.445 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.341 4.608 -3.840 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.792 4.164 -5.481 1.00 0.00 H ATOM 88 N SER A 9 3.738 2.501 -5.013 1.00 0.00 N ATOM 89 CA SER A 9 4.661 1.994 -6.082 1.00 0.00 C ATOM 90 C SER A 9 4.732 0.459 -6.039 1.00 0.00 C ATOM 91 O SER A 9 5.057 -0.182 -7.019 1.00 0.00 O ATOM 92 CB SER A 9 6.022 2.591 -5.737 1.00 0.00 C ATOM 93 OG SER A 9 6.658 3.049 -6.929 1.00 0.00 O ATOM 94 H SER A 9 4.105 2.961 -4.231 1.00 0.00 H ATOM 95 HA SER A 9 4.342 2.335 -7.058 1.00 0.00 H ATOM 96 HB2 SER A 9 5.889 3.416 -5.058 1.00 0.00 H ATOM 97 HB3 SER A 9 6.628 1.834 -5.256 1.00 0.00 H ATOM 98 HG SER A 9 6.497 3.995 -7.014 1.00 0.00 H ATOM 99 N SER A 10 4.437 -0.136 -4.909 1.00 0.00 N ATOM 100 CA SER A 10 4.490 -1.629 -4.807 1.00 0.00 C ATOM 101 C SER A 10 3.076 -2.222 -4.697 1.00 0.00 C ATOM 102 O SER A 10 2.142 -1.578 -4.247 1.00 0.00 O ATOM 103 CB SER A 10 5.297 -1.915 -3.549 1.00 0.00 C ATOM 104 OG SER A 10 6.586 -2.402 -3.926 1.00 0.00 O ATOM 105 H SER A 10 4.185 0.397 -4.127 1.00 0.00 H ATOM 106 HA SER A 10 4.996 -2.044 -5.662 1.00 0.00 H ATOM 107 HB2 SER A 10 5.405 -1.008 -2.973 1.00 0.00 H ATOM 108 HB3 SER A 10 4.775 -2.651 -2.952 1.00 0.00 H ATOM 109 HG SER A 10 7.245 -1.871 -3.471 1.00 0.00 H ATOM 110 N LYS A 11 2.923 -3.448 -5.112 1.00 0.00 N ATOM 111 CA LYS A 11 1.581 -4.127 -5.066 1.00 0.00 C ATOM 112 C LYS A 11 1.128 -4.416 -3.621 1.00 0.00 C ATOM 113 O LYS A 11 -0.056 -4.406 -3.327 1.00 0.00 O ATOM 114 CB LYS A 11 1.783 -5.438 -5.833 1.00 0.00 C ATOM 115 CG LYS A 11 1.765 -5.163 -7.342 1.00 0.00 C ATOM 116 CD LYS A 11 2.989 -5.807 -7.999 1.00 0.00 C ATOM 117 CE LYS A 11 2.949 -5.563 -9.510 1.00 0.00 C ATOM 118 NZ LYS A 11 4.378 -5.404 -9.908 1.00 0.00 N ATOM 119 H LYS A 11 3.698 -3.930 -5.465 1.00 0.00 H ATOM 120 HA LYS A 11 0.842 -3.525 -5.570 1.00 0.00 H ATOM 121 HB2 LYS A 11 2.732 -5.872 -5.553 1.00 0.00 H ATOM 122 HB3 LYS A 11 0.988 -6.124 -5.582 1.00 0.00 H ATOM 123 HG2 LYS A 11 0.861 -5.578 -7.772 1.00 0.00 H ATOM 124 HG3 LYS A 11 1.787 -4.095 -7.515 1.00 0.00 H ATOM 125 HD2 LYS A 11 3.887 -5.370 -7.586 1.00 0.00 H ATOM 126 HD3 LYS A 11 2.986 -6.872 -7.808 1.00 0.00 H ATOM 127 HE2 LYS A 11 2.502 -6.411 -10.018 1.00 0.00 H ATOM 128 HE3 LYS A 11 2.399 -4.661 -9.731 1.00 0.00 H ATOM 129 HZ1 LYS A 11 4.899 -6.282 -9.705 1.00 0.00 H ATOM 130 HZ2 LYS A 11 4.802 -4.621 -9.371 1.00 0.00 H ATOM 131 HZ3 LYS A 11 4.435 -5.193 -10.925 1.00 0.00 H ATOM 132 N TRP A 12 2.047 -4.681 -2.720 1.00 0.00 N ATOM 133 CA TRP A 12 1.657 -4.982 -1.297 1.00 0.00 C ATOM 134 C TRP A 12 0.753 -3.882 -0.721 1.00 0.00 C ATOM 135 O TRP A 12 -0.131 -4.159 0.055 1.00 0.00 O ATOM 136 CB TRP A 12 2.980 -5.066 -0.527 1.00 0.00 C ATOM 137 CG TRP A 12 2.721 -5.372 0.921 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.836 -4.478 1.935 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.294 -6.629 1.535 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.546 -5.114 3.128 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.196 -6.434 2.932 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.991 -7.906 1.019 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.812 -7.462 3.789 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.599 -8.945 1.883 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.510 -8.724 3.265 1.00 0.00 C ATOM 146 H TRP A 12 2.992 -4.688 -2.979 1.00 0.00 H ATOM 147 HA TRP A 12 1.150 -5.930 -1.248 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.591 -5.847 -0.953 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.498 -4.124 -0.607 1.00 0.00 H ATOM 150 HD1 TRP A 12 3.120 -3.442 1.831 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.568 -4.693 4.013 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.055 -8.082 -0.043 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.750 -7.284 4.854 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.358 -9.917 1.480 1.00 0.00 H ATOM 155 HH2 TRP A 12 1.202 -9.526 3.926 1.00 0.00 H ATOM 156 N CYS A 13 0.953 -2.640 -1.105 1.00 0.00 N ATOM 157 CA CYS A 13 0.080 -1.539 -0.572 1.00 0.00 C ATOM 158 C CYS A 13 -1.410 -1.903 -0.703 1.00 0.00 C ATOM 159 O CYS A 13 -2.197 -1.666 0.185 1.00 0.00 O ATOM 160 CB CYS A 13 0.407 -0.308 -1.418 1.00 0.00 C ATOM 161 SG CYS A 13 -0.445 1.128 -0.721 1.00 0.00 S ATOM 162 H CYS A 13 1.669 -2.440 -1.746 1.00 0.00 H ATOM 163 HA CYS A 13 0.321 -1.345 0.459 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.473 -0.136 -1.405 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.080 -0.467 -2.438 1.00 0.00 H ATOM 166 N ARG A 14 -1.793 -2.492 -1.803 1.00 0.00 N ATOM 167 CA ARG A 14 -3.227 -2.900 -1.992 1.00 0.00 C ATOM 168 C ARG A 14 -3.509 -4.242 -1.277 1.00 0.00 C ATOM 169 O ARG A 14 -4.636 -4.547 -0.937 1.00 0.00 O ATOM 170 CB ARG A 14 -3.398 -3.037 -3.515 1.00 0.00 C ATOM 171 CG ARG A 14 -4.829 -3.487 -3.852 1.00 0.00 C ATOM 172 CD ARG A 14 -5.816 -2.387 -3.467 1.00 0.00 C ATOM 173 NE ARG A 14 -6.526 -2.919 -2.260 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.808 -3.104 -2.286 1.00 0.00 C ATOM 175 NH1 ARG A 14 -8.604 -2.102 -2.474 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.286 -4.293 -2.125 1.00 0.00 N ATOM 177 H ARG A 14 -1.135 -2.682 -2.501 1.00 0.00 H ATOM 178 HA ARG A 14 -3.886 -2.132 -1.615 1.00 0.00 H ATOM 179 HB2 ARG A 14 -3.203 -2.083 -3.986 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.697 -3.769 -3.892 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.907 -3.683 -4.913 1.00 0.00 H ATOM 182 HG3 ARG A 14 -5.064 -4.386 -3.303 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.282 -1.472 -3.232 1.00 0.00 H ATOM 184 HD3 ARG A 14 -6.517 -2.215 -4.269 1.00 0.00 H ATOM 185 HE ARG A 14 -6.013 -3.148 -1.448 1.00 0.00 H ATOM 186 HH11 ARG A 14 -8.230 -1.186 -2.598 1.00 0.00 H ATOM 187 HH12 ARG A 14 -9.592 -2.244 -2.503 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.662 -5.061 -1.985 1.00 0.00 H ATOM 189 HH22 ARG A 14 -9.271 -4.448 -2.146 1.00 0.00 H ATOM 190 N ASP A 15 -2.486 -5.030 -1.062 1.00 0.00 N ATOM 191 CA ASP A 15 -2.636 -6.360 -0.386 1.00 0.00 C ATOM 192 C ASP A 15 -3.252 -6.220 1.010 1.00 0.00 C ATOM 193 O ASP A 15 -4.204 -6.899 1.364 1.00 0.00 O ATOM 194 CB ASP A 15 -1.186 -6.856 -0.261 1.00 0.00 C ATOM 195 CG ASP A 15 -1.129 -8.361 -0.482 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.046 -8.769 -1.623 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.163 -9.083 0.492 1.00 0.00 O ATOM 198 H ASP A 15 -1.597 -4.746 -1.356 1.00 0.00 H ATOM 199 HA ASP A 15 -3.209 -7.040 -0.991 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.573 -6.358 -0.995 1.00 0.00 H ATOM 201 HB3 ASP A 15 -0.812 -6.622 0.730 1.00 0.00 H ATOM 202 N HIS A 16 -2.678 -5.377 1.815 1.00 0.00 N ATOM 203 CA HIS A 16 -3.156 -5.191 3.215 1.00 0.00 C ATOM 204 C HIS A 16 -3.855 -3.825 3.393 1.00 0.00 C ATOM 205 O HIS A 16 -4.805 -3.694 4.145 1.00 0.00 O ATOM 206 CB HIS A 16 -1.863 -5.279 4.045 1.00 0.00 C ATOM 207 CG HIS A 16 -0.949 -4.142 3.680 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.020 -2.896 4.266 1.00 0.00 N ATOM 209 CD2 HIS A 16 0.032 -4.055 2.743 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.102 -2.118 3.665 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.567 -2.776 2.730 1.00 0.00 N ATOM 212 H HIS A 16 -1.896 -4.877 1.505 1.00 0.00 H ATOM 213 HA HIS A 16 -3.823 -5.988 3.495 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.100 -5.237 5.092 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.360 -6.213 3.822 1.00 0.00 H ATOM 216 HD1 HIS A 16 -1.628 -2.631 4.984 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.347 -4.868 2.106 1.00 0.00 H ATOM 218 HE1 HIS A 16 0.051 -1.084 3.886 1.00 0.00 H ATOM 219 N ALA A 17 -3.389 -2.811 2.709 1.00 0.00 N ATOM 220 CA ALA A 17 -4.014 -1.458 2.838 1.00 0.00 C ATOM 221 C ALA A 17 -5.135 -1.270 1.800 1.00 0.00 C ATOM 222 O ALA A 17 -4.959 -1.494 0.617 1.00 0.00 O ATOM 223 CB ALA A 17 -2.864 -0.477 2.597 1.00 0.00 C ATOM 224 H ALA A 17 -2.626 -2.942 2.109 1.00 0.00 H ATOM 225 HA ALA A 17 -4.404 -1.324 3.833 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.813 0.225 3.413 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.029 0.053 1.674 1.00 0.00 H ATOM 228 HB3 ALA A 17 -1.932 -1.028 2.533 1.00 0.00 H ATOM 229 N ARG A 18 -6.293 -0.851 2.241 1.00 0.00 N ATOM 230 CA ARG A 18 -7.429 -0.648 1.284 1.00 0.00 C ATOM 231 C ARG A 18 -7.535 0.830 0.844 1.00 0.00 C ATOM 232 O ARG A 18 -8.572 1.275 0.399 1.00 0.00 O ATOM 233 CB ARG A 18 -8.675 -1.082 2.068 1.00 0.00 C ATOM 234 CG ARG A 18 -9.035 -2.536 1.713 1.00 0.00 C ATOM 235 CD ARG A 18 -7.940 -3.494 2.205 1.00 0.00 C ATOM 236 NE ARG A 18 -7.950 -3.367 3.698 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.822 -4.007 4.410 1.00 0.00 C ATOM 238 NH1 ARG A 18 -10.003 -3.524 4.574 1.00 0.00 N ATOM 239 NH2 ARG A 18 -8.498 -5.126 4.964 1.00 0.00 N ATOM 240 H ARG A 18 -6.415 -0.672 3.195 1.00 0.00 H ATOM 241 HA ARG A 18 -7.304 -1.280 0.420 1.00 0.00 H ATOM 242 HB2 ARG A 18 -8.479 -1.006 3.130 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.502 -0.436 1.811 1.00 0.00 H ATOM 244 HG2 ARG A 18 -9.976 -2.797 2.178 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.130 -2.625 0.643 1.00 0.00 H ATOM 246 HD2 ARG A 18 -8.169 -4.510 1.907 1.00 0.00 H ATOM 247 HD3 ARG A 18 -6.975 -3.201 1.812 1.00 0.00 H ATOM 248 HE ARG A 18 -7.279 -2.808 4.146 1.00 0.00 H ATOM 249 HH11 ARG A 18 -10.244 -2.651 4.158 1.00 0.00 H ATOM 250 HH12 ARG A 18 -10.678 -4.022 5.120 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.576 -5.492 4.847 1.00 0.00 H ATOM 252 HH22 ARG A 18 -9.164 -5.623 5.519 1.00 0.00 H ATOM 253 N CYS A 19 -6.469 1.587 0.954 1.00 0.00 N ATOM 254 CA CYS A 19 -6.511 3.033 0.534 1.00 0.00 C ATOM 255 C CYS A 19 -6.110 3.191 -0.945 1.00 0.00 C ATOM 256 O CYS A 19 -6.649 4.014 -1.658 1.00 0.00 O ATOM 257 CB CYS A 19 -5.506 3.740 1.447 1.00 0.00 C ATOM 258 SG CYS A 19 -5.306 5.463 0.927 1.00 0.00 S ATOM 259 H CYS A 19 -5.638 1.208 1.307 1.00 0.00 H ATOM 260 HA CYS A 19 -7.495 3.441 0.692 1.00 0.00 H ATOM 261 HB2 CYS A 19 -5.869 3.715 2.464 1.00 0.00 H ATOM 262 HB3 CYS A 19 -4.552 3.234 1.394 1.00 0.00 H ATOM 263 N CYS A 20 -5.171 2.408 -1.410 1.00 0.00 N ATOM 264 CA CYS A 20 -4.737 2.519 -2.849 1.00 0.00 C ATOM 265 C CYS A 20 -5.668 1.699 -3.753 1.00 0.00 C ATOM 266 O CYS A 20 -5.413 0.544 -4.028 1.00 0.00 O ATOM 267 CB CYS A 20 -3.310 1.960 -2.896 1.00 0.00 C ATOM 268 SG CYS A 20 -2.127 3.326 -3.044 1.00 0.00 S ATOM 269 H CYS A 20 -4.754 1.750 -0.820 1.00 0.00 H ATOM 270 HA CYS A 20 -4.736 3.552 -3.159 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.106 1.405 -1.992 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.207 1.305 -3.749 1.00 0.00 H HETATM 273 N NH2 A 21 -6.742 2.249 -4.233 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.337 1.732 -4.816 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.957 3.180 -4.015 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 6 HETATM 1 N PCA A 1 2.317 6.431 9.696 1.00 0.00 N HETATM 2 CA PCA A 1 2.591 5.758 8.359 1.00 0.00 C HETATM 3 CB PCA A 1 2.404 4.256 8.623 1.00 0.00 C HETATM 4 CG PCA A 1 1.931 4.128 10.049 1.00 0.00 C HETATM 5 CD PCA A 1 1.930 5.543 10.571 1.00 0.00 C HETATM 6 OE PCA A 1 1.481 5.810 11.666 1.00 0.00 O HETATM 7 C PCA A 1 1.595 6.238 7.299 1.00 0.00 C HETATM 8 O PCA A 1 0.511 6.679 7.621 1.00 0.00 O HETATM 9 H1 PCA A 1 3.182 6.872 10.046 1.00 0.00 H HETATM 10 H2 PCA A 1 1.573 7.154 9.576 1.00 0.00 H HETATM 11 HA PCA A 1 3.601 5.951 8.037 1.00 0.00 H HETATM 12 HB2 PCA A 1 3.343 3.745 8.504 1.00 0.00 H HETATM 13 HB3 PCA A 1 1.666 3.848 7.947 1.00 0.00 H HETATM 14 HG2 PCA A 1 2.618 3.524 10.618 1.00 0.00 H HETATM 15 HG3 PCA A 1 0.934 3.707 10.081 1.00 0.00 H ATOM 16 N ASN A 2 1.953 6.157 6.039 1.00 0.00 N ATOM 17 CA ASN A 2 1.023 6.606 4.951 1.00 0.00 C ATOM 18 C ASN A 2 1.338 5.876 3.628 1.00 0.00 C ATOM 19 O ASN A 2 2.425 5.972 3.095 1.00 0.00 O ATOM 20 CB ASN A 2 1.245 8.124 4.832 1.00 0.00 C ATOM 21 CG ASN A 2 2.579 8.436 4.135 1.00 0.00 C ATOM 22 OD1 ASN A 2 2.602 8.818 2.987 1.00 0.00 O ATOM 23 ND2 ASN A 2 3.693 8.303 4.783 1.00 0.00 N ATOM 24 H ASN A 2 2.834 5.800 5.804 1.00 0.00 H ATOM 25 HA ASN A 2 0.001 6.413 5.238 1.00 0.00 H ATOM 26 HB2 ASN A 2 0.439 8.553 4.257 1.00 0.00 H ATOM 27 HB3 ASN A 2 1.247 8.560 5.820 1.00 0.00 H ATOM 28 HD21 ASN A 2 3.689 8.008 5.712 1.00 0.00 H ATOM 29 HD22 ASN A 2 4.541 8.496 4.333 1.00 0.00 H ATOM 30 N CYS A 3 0.398 5.129 3.107 1.00 0.00 N ATOM 31 CA CYS A 3 0.653 4.377 1.825 1.00 0.00 C ATOM 32 C CYS A 3 0.030 5.083 0.607 1.00 0.00 C ATOM 33 O CYS A 3 0.435 4.859 -0.516 1.00 0.00 O ATOM 34 CB CYS A 3 0.018 2.991 2.023 1.00 0.00 C ATOM 35 SG CYS A 3 1.023 1.735 1.190 1.00 0.00 S ATOM 36 H CYS A 3 -0.470 5.053 3.558 1.00 0.00 H ATOM 37 HA CYS A 3 1.715 4.264 1.672 1.00 0.00 H ATOM 38 HB2 CYS A 3 -0.028 2.766 3.078 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.980 2.981 1.609 1.00 0.00 H ATOM 40 N CYS A 4 -0.954 5.925 0.806 1.00 0.00 N ATOM 41 CA CYS A 4 -1.592 6.624 -0.367 1.00 0.00 C ATOM 42 C CYS A 4 -0.890 7.946 -0.709 1.00 0.00 C ATOM 43 O CYS A 4 -1.166 8.549 -1.724 1.00 0.00 O ATOM 44 CB CYS A 4 -3.039 6.888 0.048 1.00 0.00 C ATOM 45 SG CYS A 4 -4.071 5.491 -0.463 1.00 0.00 S ATOM 46 H CYS A 4 -1.278 6.091 1.715 1.00 0.00 H ATOM 47 HA CYS A 4 -1.578 5.978 -1.230 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.094 7.004 1.122 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.390 7.791 -0.430 1.00 0.00 H ATOM 50 N ASN A 5 0.030 8.393 0.103 1.00 0.00 N ATOM 51 CA ASN A 5 0.756 9.664 -0.216 1.00 0.00 C ATOM 52 C ASN A 5 2.155 9.332 -0.763 1.00 0.00 C ATOM 53 O ASN A 5 3.081 10.114 -0.661 1.00 0.00 O ATOM 54 CB ASN A 5 0.843 10.426 1.112 1.00 0.00 C ATOM 55 CG ASN A 5 0.427 11.886 0.895 1.00 0.00 C ATOM 56 OD1 ASN A 5 0.830 12.505 -0.067 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.359 12.470 1.750 1.00 0.00 N ATOM 58 H ASN A 5 0.265 7.887 0.903 1.00 0.00 H ATOM 59 HA ASN A 5 0.201 10.243 -0.941 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.184 9.965 1.833 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.856 10.393 1.478 1.00 0.00 H ATOM 62 HD21 ASN A 5 -0.683 11.983 2.533 1.00 0.00 H ATOM 63 HD22 ASN A 5 -0.632 13.400 1.603 1.00 0.00 H ATOM 64 N GLY A 6 2.295 8.169 -1.344 1.00 0.00 N ATOM 65 CA GLY A 6 3.614 7.746 -1.915 1.00 0.00 C ATOM 66 C GLY A 6 3.930 6.275 -1.564 1.00 0.00 C ATOM 67 O GLY A 6 5.078 5.877 -1.555 1.00 0.00 O ATOM 68 H GLY A 6 1.525 7.577 -1.407 1.00 0.00 H ATOM 69 HA2 GLY A 6 3.590 7.856 -2.989 1.00 0.00 H ATOM 70 HA3 GLY A 6 4.388 8.377 -1.512 1.00 0.00 H ATOM 71 N GLY A 7 2.933 5.461 -1.285 1.00 0.00 N ATOM 72 CA GLY A 7 3.207 4.024 -0.940 1.00 0.00 C ATOM 73 C GLY A 7 2.504 3.080 -1.930 1.00 0.00 C ATOM 74 O GLY A 7 2.278 1.924 -1.635 1.00 0.00 O ATOM 75 H GLY A 7 2.006 5.787 -1.301 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.273 3.846 -0.978 1.00 0.00 H ATOM 77 HA3 GLY A 7 2.851 3.818 0.060 1.00 0.00 H ATOM 78 N CYS A 8 2.172 3.547 -3.108 1.00 0.00 N ATOM 79 CA CYS A 8 1.495 2.649 -4.108 1.00 0.00 C ATOM 80 C CYS A 8 2.480 2.187 -5.191 1.00 0.00 C ATOM 81 O CYS A 8 2.092 1.654 -6.214 1.00 0.00 O ATOM 82 CB CYS A 8 0.385 3.497 -4.721 1.00 0.00 C ATOM 83 SG CYS A 8 -1.114 2.491 -4.896 1.00 0.00 S ATOM 84 H CYS A 8 2.374 4.475 -3.339 1.00 0.00 H ATOM 85 HA CYS A 8 1.067 1.791 -3.613 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.188 4.338 -4.079 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.696 3.851 -5.694 1.00 0.00 H ATOM 88 N SER A 9 3.753 2.368 -4.962 1.00 0.00 N ATOM 89 CA SER A 9 4.774 1.915 -5.961 1.00 0.00 C ATOM 90 C SER A 9 4.818 0.382 -6.009 1.00 0.00 C ATOM 91 O SER A 9 5.138 -0.202 -7.022 1.00 0.00 O ATOM 92 CB SER A 9 6.106 2.465 -5.453 1.00 0.00 C ATOM 93 OG SER A 9 6.881 2.926 -6.559 1.00 0.00 O ATOM 94 H SER A 9 4.037 2.786 -4.125 1.00 0.00 H ATOM 95 HA SER A 9 4.556 2.318 -6.937 1.00 0.00 H ATOM 96 HB2 SER A 9 5.924 3.286 -4.780 1.00 0.00 H ATOM 97 HB3 SER A 9 6.636 1.687 -4.923 1.00 0.00 H ATOM 98 HG SER A 9 6.880 2.239 -7.242 1.00 0.00 H ATOM 99 N SER A 10 4.485 -0.268 -4.917 1.00 0.00 N ATOM 100 CA SER A 10 4.495 -1.765 -4.902 1.00 0.00 C ATOM 101 C SER A 10 3.065 -2.306 -4.855 1.00 0.00 C ATOM 102 O SER A 10 2.120 -1.593 -4.570 1.00 0.00 O ATOM 103 CB SER A 10 5.252 -2.168 -3.640 1.00 0.00 C ATOM 104 OG SER A 10 5.399 -3.588 -3.623 1.00 0.00 O ATOM 105 H SER A 10 4.218 0.228 -4.118 1.00 0.00 H ATOM 106 HA SER A 10 5.006 -2.150 -5.770 1.00 0.00 H ATOM 107 HB2 SER A 10 6.226 -1.706 -3.640 1.00 0.00 H ATOM 108 HB3 SER A 10 4.695 -1.842 -2.771 1.00 0.00 H ATOM 109 HG SER A 10 6.303 -3.797 -3.887 1.00 0.00 H ATOM 110 N LYS A 11 2.912 -3.567 -5.128 1.00 0.00 N ATOM 111 CA LYS A 11 1.551 -4.193 -5.109 1.00 0.00 C ATOM 112 C LYS A 11 1.110 -4.537 -3.672 1.00 0.00 C ATOM 113 O LYS A 11 -0.067 -4.552 -3.366 1.00 0.00 O ATOM 114 CB LYS A 11 1.685 -5.460 -5.969 1.00 0.00 C ATOM 115 CG LYS A 11 0.490 -5.561 -6.919 1.00 0.00 C ATOM 116 CD LYS A 11 0.712 -4.643 -8.128 1.00 0.00 C ATOM 117 CE LYS A 11 -0.603 -4.483 -8.901 1.00 0.00 C ATOM 118 NZ LYS A 11 -0.194 -4.212 -10.313 1.00 0.00 N ATOM 119 H LYS A 11 3.701 -4.108 -5.340 1.00 0.00 H ATOM 120 HA LYS A 11 0.831 -3.526 -5.562 1.00 0.00 H ATOM 121 HB2 LYS A 11 2.600 -5.413 -6.546 1.00 0.00 H ATOM 122 HB3 LYS A 11 1.709 -6.333 -5.332 1.00 0.00 H ATOM 123 HG2 LYS A 11 0.386 -6.584 -7.255 1.00 0.00 H ATOM 124 HG3 LYS A 11 -0.408 -5.261 -6.399 1.00 0.00 H ATOM 125 HD2 LYS A 11 1.051 -3.676 -7.782 1.00 0.00 H ATOM 126 HD3 LYS A 11 1.460 -5.078 -8.775 1.00 0.00 H ATOM 127 HE2 LYS A 11 -1.187 -5.395 -8.839 1.00 0.00 H ATOM 128 HE3 LYS A 11 -1.170 -3.649 -8.509 1.00 0.00 H ATOM 129 HZ1 LYS A 11 0.289 -5.045 -10.704 1.00 0.00 H ATOM 130 HZ2 LYS A 11 0.446 -3.395 -10.347 1.00 0.00 H ATOM 131 HZ3 LYS A 11 -1.043 -4.008 -10.884 1.00 0.00 H ATOM 132 N TRP A 12 2.042 -4.812 -2.794 1.00 0.00 N ATOM 133 CA TRP A 12 1.679 -5.170 -1.376 1.00 0.00 C ATOM 134 C TRP A 12 0.759 -4.107 -0.754 1.00 0.00 C ATOM 135 O TRP A 12 -0.245 -4.431 -0.154 1.00 0.00 O ATOM 136 CB TRP A 12 3.023 -5.246 -0.632 1.00 0.00 C ATOM 137 CG TRP A 12 2.810 -5.577 0.816 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.937 -4.700 1.837 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.428 -6.847 1.424 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.686 -5.354 3.029 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.360 -6.673 2.826 1.00 0.00 C ATOM 142 CE3 TRP A 12 2.140 -8.126 0.903 1.00 0.00 C ATOM 143 CZ2 TRP A 12 2.024 -7.719 3.679 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.795 -9.186 1.761 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.737 -8.979 3.149 1.00 0.00 C ATOM 146 H TRP A 12 2.985 -4.790 -3.068 1.00 0.00 H ATOM 147 HA TRP A 12 1.196 -6.130 -1.351 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.639 -6.012 -1.086 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.526 -4.293 -0.708 1.00 0.00 H ATOM 150 HD1 TRP A 12 3.197 -3.659 1.742 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.717 -4.944 3.920 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.176 -8.290 -0.160 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.978 -7.557 4.746 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.571 -10.165 1.354 1.00 0.00 H ATOM 155 HH2 TRP A 12 1.465 -9.791 3.810 1.00 0.00 H ATOM 156 N CYS A 13 1.087 -2.846 -0.898 1.00 0.00 N ATOM 157 CA CYS A 13 0.222 -1.759 -0.312 1.00 0.00 C ATOM 158 C CYS A 13 -1.260 -1.943 -0.694 1.00 0.00 C ATOM 159 O CYS A 13 -2.142 -1.611 0.066 1.00 0.00 O ATOM 160 CB CYS A 13 0.754 -0.444 -0.885 1.00 0.00 C ATOM 161 SG CYS A 13 -0.204 0.935 -0.202 1.00 0.00 S ATOM 162 H CYS A 13 1.899 -2.615 -1.388 1.00 0.00 H ATOM 163 HA CYS A 13 0.322 -1.749 0.758 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.795 -0.326 -0.617 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.657 -0.452 -1.961 1.00 0.00 H ATOM 166 N ARG A 14 -1.539 -2.456 -1.864 1.00 0.00 N ATOM 167 CA ARG A 14 -2.971 -2.657 -2.280 1.00 0.00 C ATOM 168 C ARG A 14 -3.565 -3.944 -1.667 1.00 0.00 C ATOM 169 O ARG A 14 -4.772 -4.102 -1.596 1.00 0.00 O ATOM 170 CB ARG A 14 -2.939 -2.756 -3.810 1.00 0.00 C ATOM 171 CG ARG A 14 -4.160 -2.042 -4.408 1.00 0.00 C ATOM 172 CD ARG A 14 -5.270 -3.065 -4.652 1.00 0.00 C ATOM 173 NE ARG A 14 -6.135 -2.989 -3.434 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.383 -2.665 -3.531 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.720 -1.490 -3.947 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.290 -3.519 -3.207 1.00 0.00 N ATOM 177 H ARG A 14 -0.811 -2.718 -2.465 1.00 0.00 H ATOM 178 HA ARG A 14 -3.563 -1.806 -1.984 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.034 -2.301 -4.184 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.962 -3.798 -4.100 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.509 -1.278 -3.727 1.00 0.00 H ATOM 182 HG3 ARG A 14 -3.882 -1.587 -5.347 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.831 -2.808 -5.540 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.850 -4.060 -4.746 1.00 0.00 H ATOM 185 HE ARG A 14 -5.753 -3.195 -2.547 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.010 -0.826 -4.194 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.686 -1.243 -4.021 1.00 0.00 H ATOM 188 HH21 ARG A 14 -8.024 -4.426 -2.883 1.00 0.00 H ATOM 189 HH22 ARG A 14 -9.256 -3.275 -3.275 1.00 0.00 H ATOM 190 N ASP A 15 -2.731 -4.857 -1.244 1.00 0.00 N ATOM 191 CA ASP A 15 -3.221 -6.144 -0.648 1.00 0.00 C ATOM 192 C ASP A 15 -3.719 -5.958 0.796 1.00 0.00 C ATOM 193 O ASP A 15 -4.869 -6.204 1.111 1.00 0.00 O ATOM 194 CB ASP A 15 -1.973 -7.031 -0.647 1.00 0.00 C ATOM 195 CG ASP A 15 -2.350 -8.437 -1.092 1.00 0.00 C ATOM 196 OD1 ASP A 15 -3.270 -8.995 -0.519 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.724 -8.933 -2.006 1.00 0.00 O ATOM 198 H ASP A 15 -1.770 -4.706 -1.325 1.00 0.00 H ATOM 199 HA ASP A 15 -3.986 -6.593 -1.262 1.00 0.00 H ATOM 200 HB2 ASP A 15 -1.243 -6.613 -1.323 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.553 -7.067 0.352 1.00 0.00 H ATOM 202 N HIS A 16 -2.840 -5.540 1.665 1.00 0.00 N ATOM 203 CA HIS A 16 -3.191 -5.345 3.109 1.00 0.00 C ATOM 204 C HIS A 16 -3.786 -3.945 3.363 1.00 0.00 C ATOM 205 O HIS A 16 -4.410 -3.701 4.380 1.00 0.00 O ATOM 206 CB HIS A 16 -1.839 -5.517 3.829 1.00 0.00 C ATOM 207 CG HIS A 16 -0.915 -4.424 3.399 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.061 -3.116 3.815 1.00 0.00 N ATOM 209 CD2 HIS A 16 0.139 -4.427 2.536 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.117 -2.396 3.194 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.645 -3.149 2.407 1.00 0.00 N ATOM 212 H HIS A 16 -1.922 -5.365 1.363 1.00 0.00 H ATOM 213 HA HIS A 16 -3.876 -6.110 3.437 1.00 0.00 H ATOM 214 HB2 HIS A 16 -1.978 -5.482 4.894 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.402 -6.467 3.551 1.00 0.00 H ATOM 216 HD1 HIS A 16 -1.729 -2.778 4.448 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.513 -5.294 2.018 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.022 -1.334 3.272 1.00 0.00 H ATOM 219 N ALA A 17 -3.579 -3.022 2.463 1.00 0.00 N ATOM 220 CA ALA A 17 -4.112 -1.640 2.663 1.00 0.00 C ATOM 221 C ALA A 17 -5.170 -1.299 1.601 1.00 0.00 C ATOM 222 O ALA A 17 -4.872 -1.104 0.435 1.00 0.00 O ATOM 223 CB ALA A 17 -2.883 -0.742 2.529 1.00 0.00 C ATOM 224 H ALA A 17 -3.055 -3.230 1.661 1.00 0.00 H ATOM 225 HA ALA A 17 -4.537 -1.539 3.649 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.051 -0.020 1.748 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.025 -1.348 2.270 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.698 -0.235 3.463 1.00 0.00 H ATOM 229 N ARG A 18 -6.411 -1.210 2.002 1.00 0.00 N ATOM 230 CA ARG A 18 -7.502 -0.878 1.026 1.00 0.00 C ATOM 231 C ARG A 18 -7.539 0.628 0.677 1.00 0.00 C ATOM 232 O ARG A 18 -8.573 1.163 0.329 1.00 0.00 O ATOM 233 CB ARG A 18 -8.799 -1.304 1.721 1.00 0.00 C ATOM 234 CG ARG A 18 -8.997 -0.501 3.018 1.00 0.00 C ATOM 235 CD ARG A 18 -9.261 -1.465 4.180 1.00 0.00 C ATOM 236 NE ARG A 18 -8.283 -1.062 5.231 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.610 -0.202 6.131 1.00 0.00 C ATOM 238 NH1 ARG A 18 -9.241 -0.582 7.183 1.00 0.00 N ATOM 239 NH2 ARG A 18 -8.292 1.029 5.979 1.00 0.00 N ATOM 240 H ARG A 18 -6.624 -1.365 2.945 1.00 0.00 H ATOM 241 HA ARG A 18 -7.373 -1.458 0.128 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.633 -1.123 1.059 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.749 -2.356 1.956 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.107 0.079 3.224 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.840 0.163 2.905 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.279 -1.355 4.538 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.078 -2.487 3.875 1.00 0.00 H ATOM 248 HE ARG A 18 -7.383 -1.449 5.241 1.00 0.00 H ATOM 249 HH11 ARG A 18 -9.469 -1.543 7.302 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.498 0.084 7.877 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.786 1.310 5.168 1.00 0.00 H ATOM 252 HH22 ARG A 18 -8.548 1.702 6.666 1.00 0.00 H ATOM 253 N CYS A 19 -6.422 1.310 0.755 1.00 0.00 N ATOM 254 CA CYS A 19 -6.396 2.772 0.419 1.00 0.00 C ATOM 255 C CYS A 19 -6.068 2.985 -1.068 1.00 0.00 C ATOM 256 O CYS A 19 -6.592 3.880 -1.706 1.00 0.00 O ATOM 257 CB CYS A 19 -5.302 3.368 1.312 1.00 0.00 C ATOM 258 SG CYS A 19 -5.278 5.169 1.118 1.00 0.00 S ATOM 259 H CYS A 19 -5.600 0.862 1.026 1.00 0.00 H ATOM 260 HA CYS A 19 -7.346 3.222 0.654 1.00 0.00 H ATOM 261 HB2 CYS A 19 -5.507 3.122 2.346 1.00 0.00 H ATOM 262 HB3 CYS A 19 -4.341 2.962 1.032 1.00 0.00 H ATOM 263 N CYS A 20 -5.211 2.168 -1.625 1.00 0.00 N ATOM 264 CA CYS A 20 -4.854 2.324 -3.073 1.00 0.00 C ATOM 265 C CYS A 20 -5.925 1.671 -3.959 1.00 0.00 C ATOM 266 O CYS A 20 -5.873 0.489 -4.234 1.00 0.00 O ATOM 267 CB CYS A 20 -3.503 1.619 -3.250 1.00 0.00 C ATOM 268 SG CYS A 20 -2.168 2.845 -3.210 1.00 0.00 S ATOM 269 H CYS A 20 -4.804 1.452 -1.093 1.00 0.00 H ATOM 270 HA CYS A 20 -4.754 3.369 -3.322 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.361 0.905 -2.452 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.488 1.103 -4.199 1.00 0.00 H HETATM 273 N NH2 A 21 -6.904 2.394 -4.414 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.593 1.984 -4.977 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.954 3.348 -4.196 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 7 HETATM 1 N PCA A 1 5.755 7.858 6.349 1.00 0.00 N HETATM 2 CA PCA A 1 4.453 8.269 5.676 1.00 0.00 C HETATM 3 CB PCA A 1 4.870 8.816 4.300 1.00 0.00 C HETATM 4 CG PCA A 1 6.379 8.766 4.263 1.00 0.00 C HETATM 5 CD PCA A 1 6.771 8.193 5.602 1.00 0.00 C HETATM 6 OE PCA A 1 7.901 8.317 6.022 1.00 0.00 O HETATM 7 C PCA A 1 3.517 7.063 5.515 1.00 0.00 C HETATM 8 O PCA A 1 3.924 5.930 5.683 1.00 0.00 O HETATM 9 H1 PCA A 1 5.851 8.346 7.254 1.00 0.00 H HETATM 10 H2 PCA A 1 5.755 6.823 6.505 1.00 0.00 H HETATM 11 HA PCA A 1 3.968 9.042 6.246 1.00 0.00 H HETATM 12 HB2 PCA A 1 4.536 9.836 4.189 1.00 0.00 H HETATM 13 HB3 PCA A 1 4.458 8.198 3.513 1.00 0.00 H HETATM 14 HG2 PCA A 1 6.792 9.757 4.150 1.00 0.00 H HETATM 15 HG3 PCA A 1 6.713 8.121 3.459 1.00 0.00 H ATOM 16 N ASN A 2 2.267 7.302 5.198 1.00 0.00 N ATOM 17 CA ASN A 2 1.297 6.169 5.028 1.00 0.00 C ATOM 18 C ASN A 2 1.389 5.578 3.609 1.00 0.00 C ATOM 19 O ASN A 2 1.665 6.278 2.654 1.00 0.00 O ATOM 20 CB ASN A 2 -0.086 6.789 5.268 1.00 0.00 C ATOM 21 CG ASN A 2 -0.999 5.770 5.953 1.00 0.00 C ATOM 22 OD1 ASN A 2 -1.213 4.688 5.446 1.00 0.00 O ATOM 23 ND2 ASN A 2 -1.559 6.072 7.084 1.00 0.00 N ATOM 24 H ASN A 2 1.967 8.225 5.070 1.00 0.00 H ATOM 25 HA ASN A 2 1.489 5.403 5.765 1.00 0.00 H ATOM 26 HB2 ASN A 2 0.014 7.660 5.898 1.00 0.00 H ATOM 27 HB3 ASN A 2 -0.521 7.076 4.323 1.00 0.00 H ATOM 28 HD21 ASN A 2 -1.399 6.948 7.494 1.00 0.00 H ATOM 29 HD22 ASN A 2 -2.132 5.420 7.535 1.00 0.00 H ATOM 30 N CYS A 3 1.156 4.293 3.471 1.00 0.00 N ATOM 31 CA CYS A 3 1.230 3.623 2.117 1.00 0.00 C ATOM 32 C CYS A 3 0.434 4.398 1.056 1.00 0.00 C ATOM 33 O CYS A 3 0.894 4.607 -0.048 1.00 0.00 O ATOM 34 CB CYS A 3 0.621 2.230 2.324 1.00 0.00 C ATOM 35 SG CYS A 3 1.336 1.071 1.131 1.00 0.00 S ATOM 36 H CYS A 3 0.934 3.763 4.261 1.00 0.00 H ATOM 37 HA CYS A 3 2.255 3.527 1.806 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.832 1.887 3.325 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.447 2.279 2.177 1.00 0.00 H ATOM 40 N CYS A 4 -0.757 4.820 1.375 1.00 0.00 N ATOM 41 CA CYS A 4 -1.575 5.578 0.364 1.00 0.00 C ATOM 42 C CYS A 4 -1.272 7.082 0.387 1.00 0.00 C ATOM 43 O CYS A 4 -1.795 7.832 -0.414 1.00 0.00 O ATOM 44 CB CYS A 4 -3.032 5.343 0.761 1.00 0.00 C ATOM 45 SG CYS A 4 -3.715 3.966 -0.196 1.00 0.00 S ATOM 46 H CYS A 4 -1.114 4.639 2.269 1.00 0.00 H ATOM 47 HA CYS A 4 -1.393 5.184 -0.626 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.081 5.109 1.815 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.603 6.237 0.564 1.00 0.00 H ATOM 50 N ASN A 5 -0.422 7.531 1.268 1.00 0.00 N ATOM 51 CA ASN A 5 -0.085 8.991 1.310 1.00 0.00 C ATOM 52 C ASN A 5 1.275 9.237 0.630 1.00 0.00 C ATOM 53 O ASN A 5 1.934 10.233 0.866 1.00 0.00 O ATOM 54 CB ASN A 5 -0.036 9.344 2.801 1.00 0.00 C ATOM 55 CG ASN A 5 -1.448 9.615 3.308 1.00 0.00 C ATOM 56 OD1 ASN A 5 -1.986 8.856 4.085 1.00 0.00 O ATOM 57 ND2 ASN A 5 -2.083 10.668 2.899 1.00 0.00 N ATOM 58 H ASN A 5 0.010 6.913 1.888 1.00 0.00 H ATOM 59 HA ASN A 5 -0.852 9.566 0.819 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.390 8.519 3.351 1.00 0.00 H ATOM 61 HB3 ASN A 5 0.573 10.223 2.944 1.00 0.00 H ATOM 62 HD21 ASN A 5 -1.654 11.285 2.273 1.00 0.00 H ATOM 63 HD22 ASN A 5 -2.993 10.843 3.216 1.00 0.00 H ATOM 64 N GLY A 6 1.682 8.329 -0.223 1.00 0.00 N ATOM 65 CA GLY A 6 2.988 8.482 -0.944 1.00 0.00 C ATOM 66 C GLY A 6 3.807 7.180 -0.893 1.00 0.00 C ATOM 67 O GLY A 6 5.023 7.214 -0.918 1.00 0.00 O ATOM 68 H GLY A 6 1.120 7.553 -0.395 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.800 8.740 -1.973 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.553 9.272 -0.477 1.00 0.00 H ATOM 71 N GLY A 7 3.167 6.030 -0.818 1.00 0.00 N ATOM 72 CA GLY A 7 3.946 4.743 -0.764 1.00 0.00 C ATOM 73 C GLY A 7 3.119 3.601 -1.362 1.00 0.00 C ATOM 74 O GLY A 7 3.114 2.499 -0.854 1.00 0.00 O ATOM 75 H GLY A 7 2.180 6.008 -0.788 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.862 4.853 -1.327 1.00 0.00 H ATOM 77 HA3 GLY A 7 4.181 4.508 0.258 1.00 0.00 H ATOM 78 N CYS A 8 2.417 3.854 -2.432 1.00 0.00 N ATOM 79 CA CYS A 8 1.579 2.784 -3.054 1.00 0.00 C ATOM 80 C CYS A 8 2.231 2.223 -4.320 1.00 0.00 C ATOM 81 O CYS A 8 1.587 1.573 -5.114 1.00 0.00 O ATOM 82 CB CYS A 8 0.273 3.486 -3.400 1.00 0.00 C ATOM 83 SG CYS A 8 -1.090 2.687 -2.523 1.00 0.00 S ATOM 84 H CYS A 8 2.430 4.749 -2.826 1.00 0.00 H ATOM 85 HA CYS A 8 1.393 1.988 -2.351 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.338 4.523 -3.103 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.109 3.429 -4.462 1.00 0.00 H ATOM 88 N SER A 9 3.504 2.456 -4.511 1.00 0.00 N ATOM 89 CA SER A 9 4.196 1.914 -5.727 1.00 0.00 C ATOM 90 C SER A 9 4.366 0.388 -5.618 1.00 0.00 C ATOM 91 O SER A 9 4.463 -0.308 -6.613 1.00 0.00 O ATOM 92 CB SER A 9 5.565 2.586 -5.744 1.00 0.00 C ATOM 93 OG SER A 9 5.886 2.961 -7.083 1.00 0.00 O ATOM 94 H SER A 9 4.007 2.977 -3.853 1.00 0.00 H ATOM 95 HA SER A 9 3.649 2.169 -6.622 1.00 0.00 H ATOM 96 HB2 SER A 9 5.546 3.462 -5.115 1.00 0.00 H ATOM 97 HB3 SER A 9 6.300 1.896 -5.360 1.00 0.00 H ATOM 98 HG SER A 9 5.985 3.923 -7.113 1.00 0.00 H ATOM 99 N SER A 10 4.411 -0.133 -4.413 1.00 0.00 N ATOM 100 CA SER A 10 4.577 -1.610 -4.226 1.00 0.00 C ATOM 101 C SER A 10 3.252 -2.339 -4.432 1.00 0.00 C ATOM 102 O SER A 10 2.182 -1.758 -4.398 1.00 0.00 O ATOM 103 CB SER A 10 5.060 -1.793 -2.788 1.00 0.00 C ATOM 104 OG SER A 10 5.441 -3.151 -2.588 1.00 0.00 O ATOM 105 H SER A 10 4.333 0.448 -3.631 1.00 0.00 H ATOM 106 HA SER A 10 5.319 -1.996 -4.903 1.00 0.00 H ATOM 107 HB2 SER A 10 5.908 -1.157 -2.605 1.00 0.00 H ATOM 108 HB3 SER A 10 4.260 -1.530 -2.111 1.00 0.00 H ATOM 109 HG SER A 10 6.384 -3.229 -2.790 1.00 0.00 H ATOM 110 N LYS A 11 3.327 -3.618 -4.642 1.00 0.00 N ATOM 111 CA LYS A 11 2.091 -4.442 -4.854 1.00 0.00 C ATOM 112 C LYS A 11 1.416 -4.772 -3.511 1.00 0.00 C ATOM 113 O LYS A 11 0.209 -4.823 -3.415 1.00 0.00 O ATOM 114 CB LYS A 11 2.590 -5.719 -5.545 1.00 0.00 C ATOM 115 CG LYS A 11 1.413 -6.459 -6.196 1.00 0.00 C ATOM 116 CD LYS A 11 1.944 -7.629 -7.034 1.00 0.00 C ATOM 117 CE LYS A 11 1.003 -8.827 -6.892 1.00 0.00 C ATOM 118 NZ LYS A 11 0.491 -9.083 -8.272 1.00 0.00 N ATOM 119 H LYS A 11 4.208 -4.043 -4.651 1.00 0.00 H ATOM 120 HA LYS A 11 1.400 -3.922 -5.497 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.311 -5.452 -6.303 1.00 0.00 H ATOM 122 HB3 LYS A 11 3.055 -6.363 -4.813 1.00 0.00 H ATOM 123 HG2 LYS A 11 0.753 -6.836 -5.422 1.00 0.00 H ATOM 124 HG3 LYS A 11 0.868 -5.780 -6.837 1.00 0.00 H ATOM 125 HD2 LYS A 11 2.000 -7.331 -8.068 1.00 0.00 H ATOM 126 HD3 LYS A 11 2.928 -7.906 -6.681 1.00 0.00 H ATOM 127 HE2 LYS A 11 1.548 -9.686 -6.520 1.00 0.00 H ATOM 128 HE3 LYS A 11 0.185 -8.585 -6.230 1.00 0.00 H ATOM 129 HZ1 LYS A 11 -0.315 -9.737 -8.227 1.00 0.00 H ATOM 130 HZ2 LYS A 11 1.240 -9.512 -8.849 1.00 0.00 H ATOM 131 HZ3 LYS A 11 0.188 -8.184 -8.707 1.00 0.00 H ATOM 132 N TRP A 12 2.191 -5.003 -2.479 1.00 0.00 N ATOM 133 CA TRP A 12 1.598 -5.337 -1.139 1.00 0.00 C ATOM 134 C TRP A 12 0.600 -4.264 -0.682 1.00 0.00 C ATOM 135 O TRP A 12 -0.399 -4.565 -0.065 1.00 0.00 O ATOM 136 CB TRP A 12 2.793 -5.410 -0.186 1.00 0.00 C ATOM 137 CG TRP A 12 2.328 -5.702 1.209 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.354 -4.816 2.236 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.773 -6.938 1.749 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.875 -5.442 3.369 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.494 -6.745 3.119 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.493 -8.201 1.186 1.00 0.00 C ATOM 143 CZ2 TRP A 12 0.958 -7.759 3.908 1.00 0.00 C ATOM 144 CZ3 TRP A 12 0.952 -9.229 1.977 1.00 0.00 C ATOM 145 CH2 TRP A 12 0.683 -9.007 3.338 1.00 0.00 C ATOM 146 H TRP A 12 3.167 -4.959 -2.589 1.00 0.00 H ATOM 147 HA TRP A 12 1.109 -6.295 -1.182 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.463 -6.197 -0.508 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.322 -4.470 -0.201 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.701 -3.791 2.182 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.796 -5.024 4.252 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.693 -8.379 0.141 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.754 -7.578 4.952 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.736 -10.190 1.534 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.265 -9.797 3.945 1.00 0.00 H ATOM 156 N CYS A 13 0.863 -3.013 -0.976 1.00 0.00 N ATOM 157 CA CYS A 13 -0.077 -1.927 -0.541 1.00 0.00 C ATOM 158 C CYS A 13 -1.512 -2.233 -0.986 1.00 0.00 C ATOM 159 O CYS A 13 -2.450 -2.017 -0.250 1.00 0.00 O ATOM 160 CB CYS A 13 0.433 -0.640 -1.199 1.00 0.00 C ATOM 161 SG CYS A 13 -0.119 0.794 -0.240 1.00 0.00 S ATOM 162 H CYS A 13 1.676 -2.791 -1.474 1.00 0.00 H ATOM 163 HA CYS A 13 -0.044 -1.825 0.529 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.512 -0.652 -1.230 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.043 -0.566 -2.204 1.00 0.00 H ATOM 166 N ARG A 14 -1.700 -2.733 -2.174 1.00 0.00 N ATOM 167 CA ARG A 14 -3.098 -3.043 -2.631 1.00 0.00 C ATOM 168 C ARG A 14 -3.650 -4.309 -1.939 1.00 0.00 C ATOM 169 O ARG A 14 -4.851 -4.523 -1.893 1.00 0.00 O ATOM 170 CB ARG A 14 -2.986 -3.256 -4.142 1.00 0.00 C ATOM 171 CG ARG A 14 -4.369 -3.567 -4.735 1.00 0.00 C ATOM 172 CD ARG A 14 -5.299 -2.360 -4.573 1.00 0.00 C ATOM 173 NE ARG A 14 -6.138 -2.685 -3.374 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.406 -2.418 -3.366 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.817 -1.228 -3.634 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.254 -3.348 -3.082 1.00 0.00 N ATOM 177 H ARG A 14 -0.936 -2.910 -2.761 1.00 0.00 H ATOM 178 HA ARG A 14 -3.743 -2.202 -2.431 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.590 -2.360 -4.602 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.319 -4.083 -4.338 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.263 -3.795 -5.787 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.795 -4.417 -4.226 1.00 0.00 H ATOM 183 HD2 ARG A 14 -4.720 -1.461 -4.407 1.00 0.00 H ATOM 184 HD3 ARG A 14 -5.925 -2.246 -5.453 1.00 0.00 H ATOM 185 HE ARG A 14 -5.727 -3.125 -2.597 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.152 -0.508 -3.858 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.793 -1.023 -3.629 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.936 -4.271 -2.878 1.00 0.00 H ATOM 189 HH22 ARG A 14 -9.232 -3.150 -3.080 1.00 0.00 H ATOM 190 N ASP A 15 -2.787 -5.139 -1.407 1.00 0.00 N ATOM 191 CA ASP A 15 -3.237 -6.390 -0.721 1.00 0.00 C ATOM 192 C ASP A 15 -3.911 -6.069 0.621 1.00 0.00 C ATOM 193 O ASP A 15 -5.067 -6.389 0.855 1.00 0.00 O ATOM 194 CB ASP A 15 -1.936 -7.167 -0.471 1.00 0.00 C ATOM 195 CG ASP A 15 -2.165 -8.645 -0.770 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.010 -9.026 -1.913 1.00 0.00 O ATOM 197 OD2 ASP A 15 -2.502 -9.368 0.150 1.00 0.00 O ATOM 198 H ASP A 15 -1.831 -4.945 -1.461 1.00 0.00 H ATOM 199 HA ASP A 15 -3.894 -6.959 -1.354 1.00 0.00 H ATOM 200 HB2 ASP A 15 -1.145 -6.782 -1.104 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.642 -7.053 0.568 1.00 0.00 H ATOM 202 N HIS A 16 -3.166 -5.472 1.507 1.00 0.00 N ATOM 203 CA HIS A 16 -3.695 -5.139 2.867 1.00 0.00 C ATOM 204 C HIS A 16 -4.252 -3.699 2.956 1.00 0.00 C ATOM 205 O HIS A 16 -4.898 -3.338 3.926 1.00 0.00 O ATOM 206 CB HIS A 16 -2.477 -5.313 3.782 1.00 0.00 C ATOM 207 CG HIS A 16 -1.436 -4.256 3.504 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.451 -3.954 4.421 1.00 0.00 N ATOM 209 CD2 HIS A 16 -1.186 -3.459 2.415 1.00 0.00 C ATOM 210 CE1 HIS A 16 0.347 -3.028 3.863 1.00 0.00 C ATOM 211 NE2 HIS A 16 -0.060 -2.686 2.646 1.00 0.00 N ATOM 212 H HIS A 16 -2.242 -5.258 1.277 1.00 0.00 H ATOM 213 HA HIS A 16 -4.458 -5.848 3.151 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.787 -5.245 4.810 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.040 -6.283 3.602 1.00 0.00 H ATOM 216 HD1 HIS A 16 -0.358 -4.342 5.317 1.00 0.00 H ATOM 217 HD2 HIS A 16 -1.761 -3.453 1.506 1.00 0.00 H ATOM 218 HE1 HIS A 16 1.237 -2.651 4.321 1.00 0.00 H ATOM 219 N ALA A 17 -4.009 -2.875 1.967 1.00 0.00 N ATOM 220 CA ALA A 17 -4.527 -1.470 2.011 1.00 0.00 C ATOM 221 C ALA A 17 -5.533 -1.239 0.860 1.00 0.00 C ATOM 222 O ALA A 17 -5.170 -1.104 -0.294 1.00 0.00 O ATOM 223 CB ALA A 17 -3.276 -0.596 1.868 1.00 0.00 C ATOM 224 H ALA A 17 -3.487 -3.175 1.200 1.00 0.00 H ATOM 225 HA ALA A 17 -5.005 -1.276 2.960 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.241 -0.171 0.877 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.394 -1.201 2.027 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.305 0.196 2.602 1.00 0.00 H ATOM 229 N ARG A 18 -6.803 -1.209 1.176 1.00 0.00 N ATOM 230 CA ARG A 18 -7.856 -1.007 0.126 1.00 0.00 C ATOM 231 C ARG A 18 -7.911 0.456 -0.369 1.00 0.00 C ATOM 232 O ARG A 18 -8.574 0.747 -1.349 1.00 0.00 O ATOM 233 CB ARG A 18 -9.173 -1.408 0.812 1.00 0.00 C ATOM 234 CG ARG A 18 -9.422 -0.539 2.056 1.00 0.00 C ATOM 235 CD ARG A 18 -10.020 -1.407 3.167 1.00 0.00 C ATOM 236 NE ARG A 18 -8.938 -1.544 4.188 1.00 0.00 N ATOM 237 CZ ARG A 18 -9.143 -1.166 5.410 1.00 0.00 C ATOM 238 NH1 ARG A 18 -9.101 0.082 5.708 1.00 0.00 N ATOM 239 NH2 ARG A 18 -9.380 -2.041 6.322 1.00 0.00 N ATOM 240 H ARG A 18 -7.068 -1.334 2.110 1.00 0.00 H ATOM 241 HA ARG A 18 -7.678 -1.665 -0.710 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.989 -1.276 0.115 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.122 -2.446 1.107 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.489 -0.110 2.397 1.00 0.00 H ATOM 245 HG3 ARG A 18 -10.114 0.252 1.808 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.889 -0.921 3.591 1.00 0.00 H ATOM 247 HD3 ARG A 18 -10.287 -2.382 2.778 1.00 0.00 H ATOM 248 HE ARG A 18 -8.070 -1.923 3.936 1.00 0.00 H ATOM 249 HH11 ARG A 18 -8.910 0.758 5.002 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.261 0.378 6.646 1.00 0.00 H ATOM 251 HH21 ARG A 18 -9.405 -3.011 6.091 1.00 0.00 H ATOM 252 HH22 ARG A 18 -9.536 -1.751 7.259 1.00 0.00 H ATOM 253 N CYS A 19 -7.231 1.378 0.278 1.00 0.00 N ATOM 254 CA CYS A 19 -7.274 2.809 -0.196 1.00 0.00 C ATOM 255 C CYS A 19 -6.585 2.971 -1.562 1.00 0.00 C ATOM 256 O CYS A 19 -6.907 3.861 -2.325 1.00 0.00 O ATOM 257 CB CYS A 19 -6.534 3.627 0.869 1.00 0.00 C ATOM 258 SG CYS A 19 -4.865 2.958 1.122 1.00 0.00 S ATOM 259 H CYS A 19 -6.697 1.135 1.060 1.00 0.00 H ATOM 260 HA CYS A 19 -8.297 3.147 -0.261 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.466 4.652 0.545 1.00 0.00 H ATOM 262 HB3 CYS A 19 -7.082 3.581 1.800 1.00 0.00 H ATOM 263 N CYS A 20 -5.635 2.120 -1.876 1.00 0.00 N ATOM 264 CA CYS A 20 -4.926 2.232 -3.200 1.00 0.00 C ATOM 265 C CYS A 20 -5.843 1.770 -4.343 1.00 0.00 C ATOM 266 O CYS A 20 -6.289 0.642 -4.366 1.00 0.00 O ATOM 267 CB CYS A 20 -3.712 1.305 -3.091 1.00 0.00 C ATOM 268 SG CYS A 20 -2.320 2.040 -3.986 1.00 0.00 S ATOM 269 H CYS A 20 -5.392 1.412 -1.245 1.00 0.00 H ATOM 270 HA CYS A 20 -4.601 3.244 -3.365 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.442 1.175 -2.053 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.948 0.346 -3.525 1.00 0.00 H HETATM 273 N NH2 A 21 -6.154 2.592 -5.301 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -6.747 2.295 -6.022 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -5.802 3.509 -5.303 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 8 HETATM 1 N PCA A 1 -0.475 4.470 7.327 1.00 0.00 N HETATM 2 CA PCA A 1 1.009 4.351 7.015 1.00 0.00 C HETATM 3 CB PCA A 1 1.241 2.856 6.721 1.00 0.00 C HETATM 4 CG PCA A 1 -0.121 2.205 6.752 1.00 0.00 C HETATM 5 CD PCA A 1 -1.064 3.324 7.117 1.00 0.00 C HETATM 6 OE PCA A 1 -2.227 3.108 7.358 1.00 0.00 O HETATM 7 C PCA A 1 1.370 5.202 5.793 1.00 0.00 C HETATM 8 O PCA A 1 0.509 5.691 5.085 1.00 0.00 O HETATM 9 H1 PCA A 1 -0.605 4.723 8.324 1.00 0.00 H HETATM 10 H2 PCA A 1 -0.903 5.201 6.719 1.00 0.00 H HETATM 11 HA PCA A 1 1.599 4.652 7.870 1.00 0.00 H HETATM 12 HB2 PCA A 1 1.874 2.419 7.481 1.00 0.00 H HETATM 13 HB3 PCA A 1 1.692 2.734 5.747 1.00 0.00 H HETATM 14 HG2 PCA A 1 -0.152 1.433 7.506 1.00 0.00 H HETATM 15 HG3 PCA A 1 -0.369 1.803 5.782 1.00 0.00 H ATOM 16 N ASN A 2 2.636 5.385 5.538 1.00 0.00 N ATOM 17 CA ASN A 2 3.059 6.219 4.360 1.00 0.00 C ATOM 18 C ASN A 2 2.922 5.447 3.025 1.00 0.00 C ATOM 19 O ASN A 2 3.807 5.472 2.193 1.00 0.00 O ATOM 20 CB ASN A 2 4.529 6.570 4.633 1.00 0.00 C ATOM 21 CG ASN A 2 4.626 7.480 5.858 1.00 0.00 C ATOM 22 OD1 ASN A 2 4.571 7.022 6.978 1.00 0.00 O ATOM 23 ND2 ASN A 2 4.773 8.758 5.697 1.00 0.00 N ATOM 24 H ASN A 2 3.314 4.981 6.124 1.00 0.00 H ATOM 25 HA ASN A 2 2.477 7.125 4.324 1.00 0.00 H ATOM 26 HB2 ASN A 2 5.092 5.667 4.809 1.00 0.00 H ATOM 27 HB3 ASN A 2 4.936 7.084 3.774 1.00 0.00 H ATOM 28 HD21 ASN A 2 4.817 9.138 4.794 1.00 0.00 H ATOM 29 HD22 ASN A 2 4.836 9.345 6.477 1.00 0.00 H ATOM 30 N CYS A 3 1.812 4.782 2.803 1.00 0.00 N ATOM 31 CA CYS A 3 1.618 4.036 1.509 1.00 0.00 C ATOM 32 C CYS A 3 0.717 4.849 0.563 1.00 0.00 C ATOM 33 O CYS A 3 1.065 5.125 -0.565 1.00 0.00 O ATOM 34 CB CYS A 3 0.950 2.704 1.882 1.00 0.00 C ATOM 35 SG CYS A 3 1.613 1.372 0.843 1.00 0.00 S ATOM 36 H CYS A 3 1.101 4.789 3.474 1.00 0.00 H ATOM 37 HA CYS A 3 2.570 3.853 1.038 1.00 0.00 H ATOM 38 HB2 CYS A 3 1.150 2.483 2.918 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.117 2.781 1.730 1.00 0.00 H ATOM 40 N CYS A 4 -0.439 5.245 1.022 1.00 0.00 N ATOM 41 CA CYS A 4 -1.362 6.046 0.144 1.00 0.00 C ATOM 42 C CYS A 4 -1.017 7.539 0.165 1.00 0.00 C ATOM 43 O CYS A 4 -1.613 8.321 -0.543 1.00 0.00 O ATOM 44 CB CYS A 4 -2.755 5.830 0.729 1.00 0.00 C ATOM 45 SG CYS A 4 -3.617 4.545 -0.212 1.00 0.00 S ATOM 46 H CYS A 4 -0.699 5.021 1.940 1.00 0.00 H ATOM 47 HA CYS A 4 -1.322 5.675 -0.868 1.00 0.00 H ATOM 48 HB2 CYS A 4 -2.667 5.527 1.760 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.311 6.755 0.673 1.00 0.00 H ATOM 50 N ASN A 5 -0.053 7.944 0.951 1.00 0.00 N ATOM 51 CA ASN A 5 0.329 9.394 0.984 1.00 0.00 C ATOM 52 C ASN A 5 1.589 9.627 0.137 1.00 0.00 C ATOM 53 O ASN A 5 2.269 10.626 0.269 1.00 0.00 O ATOM 54 CB ASN A 5 0.576 9.719 2.464 1.00 0.00 C ATOM 55 CG ASN A 5 -0.352 10.846 2.899 1.00 0.00 C ATOM 56 OD1 ASN A 5 0.045 11.989 2.947 1.00 0.00 O ATOM 57 ND2 ASN A 5 -1.578 10.578 3.228 1.00 0.00 N ATOM 58 H ASN A 5 0.430 7.300 1.501 1.00 0.00 H ATOM 59 HA ASN A 5 -0.479 9.999 0.605 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.384 8.844 3.066 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.600 10.031 2.602 1.00 0.00 H ATOM 62 HD21 ASN A 5 -1.905 9.657 3.197 1.00 0.00 H ATOM 63 HD22 ASN A 5 -2.175 11.300 3.504 1.00 0.00 H ATOM 64 N GLY A 6 1.888 8.704 -0.745 1.00 0.00 N ATOM 65 CA GLY A 6 3.092 8.846 -1.627 1.00 0.00 C ATOM 66 C GLY A 6 3.861 7.517 -1.750 1.00 0.00 C ATOM 67 O GLY A 6 5.059 7.518 -1.958 1.00 0.00 O ATOM 68 H GLY A 6 1.311 7.926 -0.834 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.782 9.170 -2.609 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.748 9.587 -1.202 1.00 0.00 H ATOM 71 N GLY A 7 3.202 6.382 -1.637 1.00 0.00 N ATOM 72 CA GLY A 7 3.951 5.082 -1.763 1.00 0.00 C ATOM 73 C GLY A 7 2.994 3.929 -2.062 1.00 0.00 C ATOM 74 O GLY A 7 2.929 2.964 -1.332 1.00 0.00 O ATOM 75 H GLY A 7 2.228 6.378 -1.472 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.673 5.156 -2.563 1.00 0.00 H ATOM 77 HA3 GLY A 7 4.464 4.878 -0.840 1.00 0.00 H ATOM 78 N CYS A 8 2.251 4.018 -3.132 1.00 0.00 N ATOM 79 CA CYS A 8 1.291 2.918 -3.473 1.00 0.00 C ATOM 80 C CYS A 8 1.794 2.065 -4.647 1.00 0.00 C ATOM 81 O CYS A 8 1.065 1.250 -5.179 1.00 0.00 O ATOM 82 CB CYS A 8 -0.004 3.636 -3.848 1.00 0.00 C ATOM 83 SG CYS A 8 -1.344 3.082 -2.763 1.00 0.00 S ATOM 84 H CYS A 8 2.317 4.807 -3.706 1.00 0.00 H ATOM 85 HA CYS A 8 1.123 2.292 -2.615 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.131 4.701 -3.729 1.00 0.00 H ATOM 87 HB3 CYS A 8 -0.254 3.423 -4.873 1.00 0.00 H ATOM 88 N SER A 9 3.032 2.222 -5.040 1.00 0.00 N ATOM 89 CA SER A 9 3.581 1.392 -6.165 1.00 0.00 C ATOM 90 C SER A 9 3.934 -0.014 -5.665 1.00 0.00 C ATOM 91 O SER A 9 4.006 -0.959 -6.427 1.00 0.00 O ATOM 92 CB SER A 9 4.844 2.121 -6.615 1.00 0.00 C ATOM 93 OG SER A 9 4.884 2.144 -8.037 1.00 0.00 O ATOM 94 H SER A 9 3.609 2.868 -4.587 1.00 0.00 H ATOM 95 HA SER A 9 2.876 1.336 -6.980 1.00 0.00 H ATOM 96 HB2 SER A 9 4.827 3.131 -6.237 1.00 0.00 H ATOM 97 HB3 SER A 9 5.714 1.611 -6.224 1.00 0.00 H ATOM 98 HG SER A 9 5.198 3.013 -8.309 1.00 0.00 H ATOM 99 N SER A 10 4.160 -0.158 -4.383 1.00 0.00 N ATOM 100 CA SER A 10 4.516 -1.503 -3.821 1.00 0.00 C ATOM 101 C SER A 10 3.315 -2.449 -3.880 1.00 0.00 C ATOM 102 O SER A 10 2.247 -2.151 -3.375 1.00 0.00 O ATOM 103 CB SER A 10 4.938 -1.267 -2.364 1.00 0.00 C ATOM 104 OG SER A 10 4.768 0.110 -2.012 1.00 0.00 O ATOM 105 H SER A 10 4.098 0.619 -3.786 1.00 0.00 H ATOM 106 HA SER A 10 5.343 -1.922 -4.373 1.00 0.00 H ATOM 107 HB2 SER A 10 4.334 -1.877 -1.715 1.00 0.00 H ATOM 108 HB3 SER A 10 5.977 -1.552 -2.255 1.00 0.00 H ATOM 109 HG SER A 10 3.995 0.180 -1.439 1.00 0.00 H ATOM 110 N LYS A 11 3.501 -3.589 -4.490 1.00 0.00 N ATOM 111 CA LYS A 11 2.395 -4.604 -4.614 1.00 0.00 C ATOM 112 C LYS A 11 1.709 -4.850 -3.262 1.00 0.00 C ATOM 113 O LYS A 11 0.498 -4.836 -3.170 1.00 0.00 O ATOM 114 CB LYS A 11 3.083 -5.888 -5.104 1.00 0.00 C ATOM 115 CG LYS A 11 3.103 -5.917 -6.637 1.00 0.00 C ATOM 116 CD LYS A 11 4.142 -6.938 -7.114 1.00 0.00 C ATOM 117 CE LYS A 11 3.568 -7.769 -8.271 1.00 0.00 C ATOM 118 NZ LYS A 11 3.015 -8.998 -7.629 1.00 0.00 N ATOM 119 H LYS A 11 4.380 -3.781 -4.871 1.00 0.00 H ATOM 120 HA LYS A 11 1.670 -4.280 -5.343 1.00 0.00 H ATOM 121 HB2 LYS A 11 4.098 -5.918 -4.729 1.00 0.00 H ATOM 122 HB3 LYS A 11 2.541 -6.747 -4.738 1.00 0.00 H ATOM 123 HG2 LYS A 11 2.124 -6.191 -7.005 1.00 0.00 H ATOM 124 HG3 LYS A 11 3.365 -4.936 -7.012 1.00 0.00 H ATOM 125 HD2 LYS A 11 5.026 -6.415 -7.456 1.00 0.00 H ATOM 126 HD3 LYS A 11 4.407 -7.594 -6.300 1.00 0.00 H ATOM 127 HE2 LYS A 11 2.785 -7.217 -8.779 1.00 0.00 H ATOM 128 HE3 LYS A 11 4.352 -8.035 -8.966 1.00 0.00 H ATOM 129 HZ1 LYS A 11 2.354 -9.462 -8.286 1.00 0.00 H ATOM 130 HZ2 LYS A 11 2.512 -8.745 -6.754 1.00 0.00 H ATOM 131 HZ3 LYS A 11 3.790 -9.656 -7.406 1.00 0.00 H ATOM 132 N TRP A 12 2.471 -5.075 -2.220 1.00 0.00 N ATOM 133 CA TRP A 12 1.869 -5.330 -0.865 1.00 0.00 C ATOM 134 C TRP A 12 0.895 -4.213 -0.457 1.00 0.00 C ATOM 135 O TRP A 12 -0.070 -4.463 0.228 1.00 0.00 O ATOM 136 CB TRP A 12 3.066 -5.380 0.087 1.00 0.00 C ATOM 137 CG TRP A 12 2.598 -5.543 1.499 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.648 -4.579 2.447 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.008 -6.715 2.141 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.163 -5.096 3.633 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.745 -6.403 3.492 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.690 -8.007 1.686 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.180 -7.333 4.360 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.119 -8.948 2.557 1.00 0.00 C ATOM 145 CH2 TRP A 12 0.866 -8.609 3.895 1.00 0.00 C ATOM 146 H TRP A 12 3.447 -5.085 -2.327 1.00 0.00 H ATOM 147 HA TRP A 12 1.358 -6.277 -0.857 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.695 -6.214 -0.175 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.633 -4.464 0.002 1.00 0.00 H ATOM 150 HD1 TRP A 12 3.021 -3.571 2.305 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.104 -4.606 4.477 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.880 -8.269 0.660 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.987 -7.066 5.386 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.869 -9.937 2.198 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.424 -9.335 4.563 1.00 0.00 H ATOM 156 N CYS A 13 1.123 -2.993 -0.882 1.00 0.00 N ATOM 157 CA CYS A 13 0.176 -1.889 -0.510 1.00 0.00 C ATOM 158 C CYS A 13 -1.245 -2.257 -0.961 1.00 0.00 C ATOM 159 O CYS A 13 -2.192 -2.095 -0.231 1.00 0.00 O ATOM 160 CB CYS A 13 0.670 -0.631 -1.235 1.00 0.00 C ATOM 161 SG CYS A 13 0.080 0.844 -0.357 1.00 0.00 S ATOM 162 H CYS A 13 1.901 -2.809 -1.450 1.00 0.00 H ATOM 163 HA CYS A 13 0.195 -1.733 0.556 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.749 -0.630 -1.255 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.292 -0.625 -2.248 1.00 0.00 H ATOM 166 N ARG A 14 -1.393 -2.781 -2.148 1.00 0.00 N ATOM 167 CA ARG A 14 -2.761 -3.187 -2.623 1.00 0.00 C ATOM 168 C ARG A 14 -3.296 -4.380 -1.800 1.00 0.00 C ATOM 169 O ARG A 14 -4.491 -4.620 -1.741 1.00 0.00 O ATOM 170 CB ARG A 14 -2.562 -3.588 -4.090 1.00 0.00 C ATOM 171 CG ARG A 14 -3.907 -4.002 -4.708 1.00 0.00 C ATOM 172 CD ARG A 14 -4.278 -3.020 -5.826 1.00 0.00 C ATOM 173 NE ARG A 14 -5.161 -2.006 -5.172 1.00 0.00 N ATOM 174 CZ ARG A 14 -5.922 -1.243 -5.892 1.00 0.00 C ATOM 175 NH1 ARG A 14 -5.394 -0.421 -6.733 1.00 0.00 N ATOM 176 NH2 ARG A 14 -7.203 -1.320 -5.783 1.00 0.00 N ATOM 177 H ARG A 14 -0.607 -2.928 -2.716 1.00 0.00 H ATOM 178 HA ARG A 14 -3.439 -2.351 -2.558 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.156 -2.748 -4.638 1.00 0.00 H ATOM 180 HB3 ARG A 14 -1.871 -4.418 -4.145 1.00 0.00 H ATOM 181 HG2 ARG A 14 -3.827 -5.000 -5.114 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.676 -3.986 -3.946 1.00 0.00 H ATOM 183 HD2 ARG A 14 -3.384 -2.552 -6.222 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.817 -3.528 -6.614 1.00 0.00 H ATOM 185 HE ARG A 14 -5.162 -1.914 -4.195 1.00 0.00 H ATOM 186 HH11 ARG A 14 -4.401 -0.372 -6.822 1.00 0.00 H ATOM 187 HH12 ARG A 14 -5.974 0.162 -7.291 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.614 -1.965 -5.142 1.00 0.00 H ATOM 189 HH22 ARG A 14 -7.785 -0.735 -6.342 1.00 0.00 H ATOM 190 N ASP A 15 -2.416 -5.120 -1.166 1.00 0.00 N ATOM 191 CA ASP A 15 -2.834 -6.295 -0.346 1.00 0.00 C ATOM 192 C ASP A 15 -3.507 -5.840 0.965 1.00 0.00 C ATOM 193 O ASP A 15 -4.632 -6.202 1.265 1.00 0.00 O ATOM 194 CB ASP A 15 -1.511 -7.012 -0.034 1.00 0.00 C ATOM 195 CG ASP A 15 -1.636 -8.500 -0.358 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.033 -9.244 0.516 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.336 -8.874 -1.482 1.00 0.00 O ATOM 198 H ASP A 15 -1.464 -4.904 -1.230 1.00 0.00 H ATOM 199 HA ASP A 15 -3.486 -6.945 -0.903 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.714 -6.577 -0.622 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.276 -6.890 1.013 1.00 0.00 H ATOM 202 N HIS A 16 -2.797 -5.084 1.752 1.00 0.00 N ATOM 203 CA HIS A 16 -3.337 -4.627 3.069 1.00 0.00 C ATOM 204 C HIS A 16 -3.829 -3.157 3.057 1.00 0.00 C ATOM 205 O HIS A 16 -4.551 -2.742 3.946 1.00 0.00 O ATOM 206 CB HIS A 16 -2.152 -4.802 4.030 1.00 0.00 C ATOM 207 CG HIS A 16 -1.055 -3.811 3.731 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.111 -3.470 4.678 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.716 -3.106 2.600 1.00 0.00 C ATOM 210 CE1 HIS A 16 0.740 -2.607 4.098 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.413 -2.350 2.835 1.00 0.00 N ATOM 212 H HIS A 16 -1.884 -4.846 1.489 1.00 0.00 H ATOM 213 HA HIS A 16 -4.140 -5.274 3.378 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.487 -4.657 5.041 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.756 -5.803 3.926 1.00 0.00 H ATOM 216 HD1 HIS A 16 -0.080 -3.785 5.609 1.00 0.00 H ATOM 217 HD2 HIS A 16 -1.232 -3.152 1.660 1.00 0.00 H ATOM 218 HE1 HIS A 16 1.614 -2.218 4.577 1.00 0.00 H ATOM 219 N ALA A 17 -3.461 -2.372 2.075 1.00 0.00 N ATOM 220 CA ALA A 17 -3.922 -0.943 2.041 1.00 0.00 C ATOM 221 C ALA A 17 -5.132 -0.802 1.104 1.00 0.00 C ATOM 222 O ALA A 17 -5.008 -0.812 -0.108 1.00 0.00 O ATOM 223 CB ALA A 17 -2.718 -0.153 1.525 1.00 0.00 C ATOM 224 H ALA A 17 -2.889 -2.715 1.360 1.00 0.00 H ATOM 225 HA ALA A 17 -4.176 -0.607 3.034 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.719 0.832 1.967 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.774 -0.066 0.451 1.00 0.00 H ATOM 228 HB3 ALA A 17 -1.810 -0.671 1.800 1.00 0.00 H ATOM 229 N ARG A 18 -6.303 -0.676 1.670 1.00 0.00 N ATOM 230 CA ARG A 18 -7.547 -0.540 0.841 1.00 0.00 C ATOM 231 C ARG A 18 -7.679 0.885 0.272 1.00 0.00 C ATOM 232 O ARG A 18 -8.341 1.096 -0.727 1.00 0.00 O ATOM 233 CB ARG A 18 -8.698 -0.861 1.805 1.00 0.00 C ATOM 234 CG ARG A 18 -8.670 -2.357 2.148 1.00 0.00 C ATOM 235 CD ARG A 18 -8.476 -2.549 3.663 1.00 0.00 C ATOM 236 NE ARG A 18 -7.140 -3.205 3.805 1.00 0.00 N ATOM 237 CZ ARG A 18 -7.049 -4.468 4.057 1.00 0.00 C ATOM 238 NH1 ARG A 18 -7.096 -4.875 5.275 1.00 0.00 N ATOM 239 NH2 ARG A 18 -6.900 -5.309 3.095 1.00 0.00 N ATOM 240 H ARG A 18 -6.368 -0.675 2.645 1.00 0.00 H ATOM 241 HA ARG A 18 -7.539 -1.259 0.036 1.00 0.00 H ATOM 242 HB2 ARG A 18 -8.591 -0.275 2.706 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.640 -0.618 1.328 1.00 0.00 H ATOM 244 HG2 ARG A 18 -9.602 -2.814 1.840 1.00 0.00 H ATOM 245 HG3 ARG A 18 -7.853 -2.826 1.623 1.00 0.00 H ATOM 246 HD2 ARG A 18 -8.482 -1.588 4.171 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.250 -3.188 4.061 1.00 0.00 H ATOM 248 HE ARG A 18 -6.315 -2.672 3.724 1.00 0.00 H ATOM 249 HH11 ARG A 18 -7.200 -4.212 6.015 1.00 0.00 H ATOM 250 HH12 ARG A 18 -7.017 -5.844 5.478 1.00 0.00 H ATOM 251 HH21 ARG A 18 -6.852 -4.983 2.152 1.00 0.00 H ATOM 252 HH22 ARG A 18 -6.823 -6.283 3.292 1.00 0.00 H ATOM 253 N CYS A 19 -7.051 1.863 0.888 1.00 0.00 N ATOM 254 CA CYS A 19 -7.138 3.274 0.370 1.00 0.00 C ATOM 255 C CYS A 19 -6.677 3.371 -1.099 1.00 0.00 C ATOM 256 O CYS A 19 -7.060 4.278 -1.814 1.00 0.00 O ATOM 257 CB CYS A 19 -6.212 4.099 1.271 1.00 0.00 C ATOM 258 SG CYS A 19 -4.529 3.430 1.198 1.00 0.00 S ATOM 259 H CYS A 19 -6.519 1.674 1.690 1.00 0.00 H ATOM 260 HA CYS A 19 -8.149 3.638 0.460 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.204 5.123 0.934 1.00 0.00 H ATOM 262 HB3 CYS A 19 -6.571 4.058 2.287 1.00 0.00 H ATOM 263 N CYS A 20 -5.862 2.448 -1.554 1.00 0.00 N ATOM 264 CA CYS A 20 -5.383 2.497 -2.979 1.00 0.00 C ATOM 265 C CYS A 20 -6.379 1.806 -3.924 1.00 0.00 C ATOM 266 O CYS A 20 -6.120 1.663 -5.099 1.00 0.00 O ATOM 267 CB CYS A 20 -4.041 1.755 -2.981 1.00 0.00 C ATOM 268 SG CYS A 20 -2.857 2.640 -4.025 1.00 0.00 S ATOM 269 H CYS A 20 -5.565 1.725 -0.966 1.00 0.00 H ATOM 270 HA CYS A 20 -5.233 3.519 -3.285 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.660 1.704 -1.972 1.00 0.00 H ATOM 272 HB3 CYS A 20 -4.182 0.754 -3.363 1.00 0.00 H HETATM 273 N NH2 A 21 -7.513 1.365 -3.464 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -8.144 0.925 -4.069 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.740 1.473 -2.516 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 9 HETATM 1 N PCA A 1 1.466 5.601 8.880 1.00 0.00 N HETATM 2 CA PCA A 1 2.140 5.066 7.619 1.00 0.00 C HETATM 3 CB PCA A 1 1.474 3.704 7.358 1.00 0.00 C HETATM 4 CG PCA A 1 0.565 3.445 8.541 1.00 0.00 C HETATM 5 CD PCA A 1 0.697 4.682 9.398 1.00 0.00 C HETATM 6 OE PCA A 1 0.340 4.675 10.560 1.00 0.00 O HETATM 7 C PCA A 1 1.915 6.016 6.429 1.00 0.00 C HETATM 8 O PCA A 1 1.134 6.944 6.514 1.00 0.00 O HETATM 9 H1 PCA A 1 2.184 5.857 9.581 1.00 0.00 H HETATM 10 H2 PCA A 1 0.896 6.446 8.637 1.00 0.00 H HETATM 11 HA PCA A 1 3.197 4.931 7.790 1.00 0.00 H HETATM 12 HB2 PCA A 1 2.226 2.929 7.298 1.00 0.00 H HETATM 13 HB3 PCA A 1 0.901 3.739 6.443 1.00 0.00 H HETATM 14 HG2 PCA A 1 0.895 2.577 9.091 1.00 0.00 H HETATM 15 HG3 PCA A 1 -0.457 3.319 8.211 1.00 0.00 H ATOM 16 N ASN A 2 2.591 5.804 5.328 1.00 0.00 N ATOM 17 CA ASN A 2 2.407 6.719 4.156 1.00 0.00 C ATOM 18 C ASN A 2 2.226 5.936 2.838 1.00 0.00 C ATOM 19 O ASN A 2 2.615 6.398 1.788 1.00 0.00 O ATOM 20 CB ASN A 2 3.700 7.544 4.118 1.00 0.00 C ATOM 21 CG ASN A 2 3.424 8.907 3.488 1.00 0.00 C ATOM 22 OD1 ASN A 2 2.896 9.788 4.126 1.00 0.00 O ATOM 23 ND2 ASN A 2 3.761 9.120 2.252 1.00 0.00 N ATOM 24 H ASN A 2 3.224 5.057 5.279 1.00 0.00 H ATOM 25 HA ASN A 2 1.565 7.369 4.321 1.00 0.00 H ATOM 26 HB2 ASN A 2 4.067 7.686 5.124 1.00 0.00 H ATOM 27 HB3 ASN A 2 4.445 7.027 3.534 1.00 0.00 H ATOM 28 HD21 ASN A 2 4.187 8.409 1.732 1.00 0.00 H ATOM 29 HD22 ASN A 2 3.585 9.992 1.840 1.00 0.00 H ATOM 30 N CYS A 3 1.625 4.766 2.879 1.00 0.00 N ATOM 31 CA CYS A 3 1.425 3.981 1.605 1.00 0.00 C ATOM 32 C CYS A 3 0.520 4.747 0.630 1.00 0.00 C ATOM 33 O CYS A 3 0.825 4.890 -0.536 1.00 0.00 O ATOM 34 CB CYS A 3 0.763 2.654 2.021 1.00 0.00 C ATOM 35 SG CYS A 3 1.475 1.293 1.063 1.00 0.00 S ATOM 36 H CYS A 3 1.306 4.412 3.735 1.00 0.00 H ATOM 37 HA CYS A 3 2.373 3.780 1.138 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.931 2.476 3.073 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.300 2.705 1.830 1.00 0.00 H ATOM 40 N CYS A 4 -0.589 5.253 1.100 1.00 0.00 N ATOM 41 CA CYS A 4 -1.516 6.019 0.192 1.00 0.00 C ATOM 42 C CYS A 4 -1.154 7.509 0.135 1.00 0.00 C ATOM 43 O CYS A 4 -1.766 8.267 -0.585 1.00 0.00 O ATOM 44 CB CYS A 4 -2.907 5.850 0.798 1.00 0.00 C ATOM 45 SG CYS A 4 -3.826 4.593 -0.130 1.00 0.00 S ATOM 46 H CYS A 4 -0.810 5.133 2.045 1.00 0.00 H ATOM 47 HA CYS A 4 -1.490 5.599 -0.800 1.00 0.00 H ATOM 48 HB2 CYS A 4 -2.819 5.546 1.829 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.434 6.792 0.745 1.00 0.00 H ATOM 50 N ASN A 5 -0.154 7.925 0.861 1.00 0.00 N ATOM 51 CA ASN A 5 0.261 9.362 0.824 1.00 0.00 C ATOM 52 C ASN A 5 1.477 9.521 -0.105 1.00 0.00 C ATOM 53 O ASN A 5 2.258 10.445 0.019 1.00 0.00 O ATOM 54 CB ASN A 5 0.617 9.723 2.274 1.00 0.00 C ATOM 55 CG ASN A 5 -0.590 10.361 2.966 1.00 0.00 C ATOM 56 OD1 ASN A 5 -1.267 11.187 2.395 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.889 10.015 4.183 1.00 0.00 N ATOM 58 H ASN A 5 0.337 7.293 1.407 1.00 0.00 H ATOM 59 HA ASN A 5 -0.552 9.981 0.475 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.905 8.831 2.809 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.437 10.424 2.278 1.00 0.00 H ATOM 62 HD21 ASN A 5 -0.344 9.352 4.655 1.00 0.00 H ATOM 63 HD22 ASN A 5 -1.661 10.419 4.630 1.00 0.00 H ATOM 64 N GLY A 6 1.629 8.609 -1.032 1.00 0.00 N ATOM 65 CA GLY A 6 2.774 8.667 -1.991 1.00 0.00 C ATOM 66 C GLY A 6 3.620 7.388 -1.907 1.00 0.00 C ATOM 67 O GLY A 6 4.819 7.436 -2.081 1.00 0.00 O ATOM 68 H GLY A 6 0.983 7.885 -1.096 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.395 8.773 -2.999 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.393 9.516 -1.755 1.00 0.00 H ATOM 71 N GLY A 7 3.022 6.245 -1.648 1.00 0.00 N ATOM 72 CA GLY A 7 3.843 4.990 -1.572 1.00 0.00 C ATOM 73 C GLY A 7 3.002 3.761 -1.933 1.00 0.00 C ATOM 74 O GLY A 7 2.910 2.823 -1.171 1.00 0.00 O ATOM 75 H GLY A 7 2.043 6.212 -1.509 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.672 5.068 -2.260 1.00 0.00 H ATOM 77 HA3 GLY A 7 4.223 4.875 -0.573 1.00 0.00 H ATOM 78 N CYS A 8 2.387 3.754 -3.086 1.00 0.00 N ATOM 79 CA CYS A 8 1.546 2.572 -3.491 1.00 0.00 C ATOM 80 C CYS A 8 2.182 1.787 -4.649 1.00 0.00 C ATOM 81 O CYS A 8 1.560 0.916 -5.222 1.00 0.00 O ATOM 82 CB CYS A 8 0.222 3.178 -3.941 1.00 0.00 C ATOM 83 SG CYS A 8 -1.155 2.294 -3.156 1.00 0.00 S ATOM 84 H CYS A 8 2.476 4.522 -3.687 1.00 0.00 H ATOM 85 HA CYS A 8 1.380 1.918 -2.649 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.197 4.218 -3.653 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.141 3.102 -5.013 1.00 0.00 H ATOM 88 N SER A 9 3.406 2.075 -4.995 1.00 0.00 N ATOM 89 CA SER A 9 4.067 1.331 -6.118 1.00 0.00 C ATOM 90 C SER A 9 4.310 -0.140 -5.735 1.00 0.00 C ATOM 91 O SER A 9 4.395 -1.003 -6.586 1.00 0.00 O ATOM 92 CB SER A 9 5.402 2.034 -6.336 1.00 0.00 C ATOM 93 OG SER A 9 5.641 2.162 -7.735 1.00 0.00 O ATOM 94 H SER A 9 3.896 2.775 -4.519 1.00 0.00 H ATOM 95 HA SER A 9 3.473 1.392 -7.016 1.00 0.00 H ATOM 96 HB2 SER A 9 5.375 3.009 -5.882 1.00 0.00 H ATOM 97 HB3 SER A 9 6.189 1.452 -5.875 1.00 0.00 H ATOM 98 HG SER A 9 6.196 2.938 -7.873 1.00 0.00 H ATOM 99 N SER A 10 4.420 -0.431 -4.459 1.00 0.00 N ATOM 100 CA SER A 10 4.651 -1.846 -4.027 1.00 0.00 C ATOM 101 C SER A 10 3.327 -2.610 -4.029 1.00 0.00 C ATOM 102 O SER A 10 2.351 -2.191 -3.433 1.00 0.00 O ATOM 103 CB SER A 10 5.234 -1.787 -2.610 1.00 0.00 C ATOM 104 OG SER A 10 5.073 -0.480 -2.059 1.00 0.00 O ATOM 105 H SER A 10 4.345 0.278 -3.787 1.00 0.00 H ATOM 106 HA SER A 10 5.351 -2.329 -4.691 1.00 0.00 H ATOM 107 HB2 SER A 10 4.718 -2.497 -1.987 1.00 0.00 H ATOM 108 HB3 SER A 10 6.283 -2.048 -2.652 1.00 0.00 H ATOM 109 HG SER A 10 5.910 -0.006 -2.158 1.00 0.00 H ATOM 110 N LYS A 11 3.297 -3.729 -4.700 1.00 0.00 N ATOM 111 CA LYS A 11 2.038 -4.549 -4.771 1.00 0.00 C ATOM 112 C LYS A 11 1.473 -4.839 -3.367 1.00 0.00 C ATOM 113 O LYS A 11 0.273 -4.930 -3.187 1.00 0.00 O ATOM 114 CB LYS A 11 2.430 -5.850 -5.496 1.00 0.00 C ATOM 115 CG LYS A 11 3.538 -6.572 -4.729 1.00 0.00 C ATOM 116 CD LYS A 11 3.880 -7.881 -5.450 1.00 0.00 C ATOM 117 CE LYS A 11 4.578 -7.577 -6.781 1.00 0.00 C ATOM 118 NZ LYS A 11 5.271 -8.844 -7.143 1.00 0.00 N ATOM 119 H LYS A 11 4.106 -4.026 -5.162 1.00 0.00 H ATOM 120 HA LYS A 11 1.295 -4.025 -5.356 1.00 0.00 H ATOM 121 HB2 LYS A 11 1.565 -6.496 -5.563 1.00 0.00 H ATOM 122 HB3 LYS A 11 2.778 -5.616 -6.492 1.00 0.00 H ATOM 123 HG2 LYS A 11 4.415 -5.939 -4.679 1.00 0.00 H ATOM 124 HG3 LYS A 11 3.195 -6.791 -3.728 1.00 0.00 H ATOM 125 HD2 LYS A 11 4.536 -8.470 -4.825 1.00 0.00 H ATOM 126 HD3 LYS A 11 2.973 -8.435 -5.639 1.00 0.00 H ATOM 127 HE2 LYS A 11 3.849 -7.310 -7.534 1.00 0.00 H ATOM 128 HE3 LYS A 11 5.300 -6.781 -6.654 1.00 0.00 H ATOM 129 HZ1 LYS A 11 6.026 -9.036 -6.454 1.00 0.00 H ATOM 130 HZ2 LYS A 11 5.687 -8.754 -8.091 1.00 0.00 H ATOM 131 HZ3 LYS A 11 4.587 -9.630 -7.135 1.00 0.00 H ATOM 132 N TRP A 12 2.319 -4.975 -2.374 1.00 0.00 N ATOM 133 CA TRP A 12 1.819 -5.254 -0.990 1.00 0.00 C ATOM 134 C TRP A 12 0.894 -4.129 -0.500 1.00 0.00 C ATOM 135 O TRP A 12 -0.057 -4.373 0.217 1.00 0.00 O ATOM 136 CB TRP A 12 3.072 -5.337 -0.118 1.00 0.00 C ATOM 137 CG TRP A 12 2.671 -5.609 1.300 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.663 -4.687 2.290 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.211 -6.855 1.901 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.251 -5.296 3.464 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.949 -6.624 3.273 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.988 -8.145 1.395 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.502 -7.643 4.119 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.536 -9.171 2.240 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.285 -8.918 3.598 1.00 0.00 C ATOM 146 H TRP A 12 3.281 -4.892 -2.538 1.00 0.00 H ATOM 147 HA TRP A 12 1.298 -6.195 -0.963 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.706 -6.136 -0.474 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.612 -4.402 -0.167 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.940 -3.647 2.186 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.171 -4.852 4.330 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.173 -8.352 0.354 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.310 -7.440 5.162 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.366 -10.157 1.839 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.931 -9.710 4.237 1.00 0.00 H ATOM 156 N CYS A 13 1.154 -2.905 -0.889 1.00 0.00 N ATOM 157 CA CYS A 13 0.268 -1.773 -0.448 1.00 0.00 C ATOM 158 C CYS A 13 -1.196 -2.100 -0.760 1.00 0.00 C ATOM 159 O CYS A 13 -2.050 -2.001 0.088 1.00 0.00 O ATOM 160 CB CYS A 13 0.735 -0.537 -1.233 1.00 0.00 C ATOM 161 SG CYS A 13 0.133 0.958 -0.406 1.00 0.00 S ATOM 162 H CYS A 13 1.919 -2.732 -1.475 1.00 0.00 H ATOM 163 HA CYS A 13 0.387 -1.601 0.606 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.815 -0.517 -1.268 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.343 -0.573 -2.240 1.00 0.00 H ATOM 166 N ARG A 14 -1.491 -2.518 -1.959 1.00 0.00 N ATOM 167 CA ARG A 14 -2.910 -2.873 -2.291 1.00 0.00 C ATOM 168 C ARG A 14 -3.297 -4.211 -1.632 1.00 0.00 C ATOM 169 O ARG A 14 -4.459 -4.481 -1.391 1.00 0.00 O ATOM 170 CB ARG A 14 -2.961 -2.979 -3.826 1.00 0.00 C ATOM 171 CG ARG A 14 -4.305 -2.447 -4.337 1.00 0.00 C ATOM 172 CD ARG A 14 -5.248 -3.621 -4.612 1.00 0.00 C ATOM 173 NE ARG A 14 -6.234 -3.601 -3.485 1.00 0.00 N ATOM 174 CZ ARG A 14 -6.948 -4.649 -3.227 1.00 0.00 C ATOM 175 NH1 ARG A 14 -8.072 -4.822 -3.827 1.00 0.00 N ATOM 176 NH2 ARG A 14 -6.540 -5.502 -2.354 1.00 0.00 N ATOM 177 H ARG A 14 -0.783 -2.619 -2.628 1.00 0.00 H ATOM 178 HA ARG A 14 -3.578 -2.094 -1.954 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.159 -2.399 -4.252 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.852 -4.015 -4.118 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.745 -1.797 -3.592 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.149 -1.894 -5.250 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.750 -3.479 -5.560 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.699 -4.551 -4.613 1.00 0.00 H ATOM 185 HE ARG A 14 -6.338 -2.798 -2.932 1.00 0.00 H ATOM 186 HH11 ARG A 14 -8.390 -4.148 -4.490 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.628 -5.627 -3.630 1.00 0.00 H ATOM 188 HH21 ARG A 14 -5.670 -5.349 -1.875 1.00 0.00 H ATOM 189 HH22 ARG A 14 -7.083 -6.314 -2.155 1.00 0.00 H ATOM 190 N ASP A 15 -2.334 -5.040 -1.336 1.00 0.00 N ATOM 191 CA ASP A 15 -2.630 -6.356 -0.698 1.00 0.00 C ATOM 192 C ASP A 15 -3.348 -6.163 0.645 1.00 0.00 C ATOM 193 O ASP A 15 -4.422 -6.693 0.875 1.00 0.00 O ATOM 194 CB ASP A 15 -1.244 -6.973 -0.479 1.00 0.00 C ATOM 195 CG ASP A 15 -1.234 -8.419 -0.973 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.005 -8.616 -2.151 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.466 -9.304 -0.176 1.00 0.00 O ATOM 198 H ASP A 15 -1.406 -4.800 -1.528 1.00 0.00 H ATOM 199 HA ASP A 15 -3.215 -6.977 -1.354 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.515 -6.400 -1.027 1.00 0.00 H ATOM 201 HB3 ASP A 15 -0.998 -6.942 0.572 1.00 0.00 H ATOM 202 N HIS A 16 -2.738 -5.425 1.533 1.00 0.00 N ATOM 203 CA HIS A 16 -3.330 -5.198 2.888 1.00 0.00 C ATOM 204 C HIS A 16 -3.940 -3.791 3.045 1.00 0.00 C ATOM 205 O HIS A 16 -4.631 -3.520 4.013 1.00 0.00 O ATOM 206 CB HIS A 16 -2.145 -5.400 3.844 1.00 0.00 C ATOM 207 CG HIS A 16 -1.134 -4.286 3.709 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.193 -4.029 4.687 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.883 -3.376 2.712 1.00 0.00 C ATOM 210 CE1 HIS A 16 0.575 -3.012 4.252 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.191 -2.574 3.056 1.00 0.00 N ATOM 212 H HIS A 16 -1.867 -5.038 1.310 1.00 0.00 H ATOM 213 HA HIS A 16 -4.082 -5.945 3.091 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.505 -5.437 4.855 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.664 -6.338 3.599 1.00 0.00 H ATOM 216 HD1 HIS A 16 -0.102 -4.500 5.542 1.00 0.00 H ATOM 217 HD2 HIS A 16 -1.427 -3.307 1.788 1.00 0.00 H ATOM 218 HE1 HIS A 16 1.432 -2.639 4.778 1.00 0.00 H ATOM 219 N ALA A 17 -3.699 -2.900 2.126 1.00 0.00 N ATOM 220 CA ALA A 17 -4.273 -1.525 2.258 1.00 0.00 C ATOM 221 C ALA A 17 -5.364 -1.287 1.200 1.00 0.00 C ATOM 222 O ALA A 17 -5.139 -1.417 0.014 1.00 0.00 O ATOM 223 CB ALA A 17 -3.079 -0.585 2.052 1.00 0.00 C ATOM 224 H ALA A 17 -3.140 -3.128 1.353 1.00 0.00 H ATOM 225 HA ALA A 17 -4.679 -1.387 3.250 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.067 -0.230 1.030 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.161 -1.123 2.251 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.155 0.252 2.725 1.00 0.00 H ATOM 229 N ARG A 18 -6.547 -0.943 1.634 1.00 0.00 N ATOM 230 CA ARG A 18 -7.672 -0.706 0.675 1.00 0.00 C ATOM 231 C ARG A 18 -7.906 0.799 0.409 1.00 0.00 C ATOM 232 O ARG A 18 -8.964 1.193 -0.033 1.00 0.00 O ATOM 233 CB ARG A 18 -8.897 -1.335 1.357 1.00 0.00 C ATOM 234 CG ARG A 18 -9.224 -0.595 2.663 1.00 0.00 C ATOM 235 CD ARG A 18 -9.842 -1.580 3.664 1.00 0.00 C ATOM 236 NE ARG A 18 -8.702 -2.065 4.508 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.913 -2.533 5.696 1.00 0.00 C ATOM 238 NH1 ARG A 18 -9.643 -3.586 5.860 1.00 0.00 N ATOM 239 NH2 ARG A 18 -8.407 -1.945 6.723 1.00 0.00 N ATOM 240 H ARG A 18 -6.702 -0.851 2.592 1.00 0.00 H ATOM 241 HA ARG A 18 -7.475 -1.221 -0.250 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.745 -1.269 0.689 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.696 -2.374 1.575 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.324 -0.168 3.081 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.932 0.195 2.453 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.587 -1.079 4.275 1.00 0.00 H ATOM 247 HD3 ARG A 18 -10.290 -2.409 3.140 1.00 0.00 H ATOM 248 HE ARG A 18 -7.783 -2.048 4.155 1.00 0.00 H ATOM 249 HH11 ARG A 18 -10.044 -4.040 5.068 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.797 -3.949 6.775 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.849 -1.126 6.598 1.00 0.00 H ATOM 252 HH22 ARG A 18 -8.554 -2.317 7.634 1.00 0.00 H ATOM 253 N CYS A 19 -6.940 1.648 0.673 1.00 0.00 N ATOM 254 CA CYS A 19 -7.139 3.121 0.431 1.00 0.00 C ATOM 255 C CYS A 19 -6.706 3.541 -0.988 1.00 0.00 C ATOM 256 O CYS A 19 -7.103 4.583 -1.472 1.00 0.00 O ATOM 257 CB CYS A 19 -6.270 3.821 1.485 1.00 0.00 C ATOM 258 SG CYS A 19 -4.533 3.341 1.286 1.00 0.00 S ATOM 259 H CYS A 19 -6.093 1.325 1.033 1.00 0.00 H ATOM 260 HA CYS A 19 -8.174 3.387 0.584 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.358 4.887 1.372 1.00 0.00 H ATOM 262 HB3 CYS A 19 -6.609 3.539 2.472 1.00 0.00 H ATOM 263 N CYS A 20 -5.896 2.755 -1.651 1.00 0.00 N ATOM 264 CA CYS A 20 -5.438 3.139 -3.035 1.00 0.00 C ATOM 265 C CYS A 20 -6.521 2.839 -4.076 1.00 0.00 C ATOM 266 O CYS A 20 -6.976 1.723 -4.207 1.00 0.00 O ATOM 267 CB CYS A 20 -4.186 2.302 -3.312 1.00 0.00 C ATOM 268 SG CYS A 20 -2.775 3.413 -3.592 1.00 0.00 S ATOM 269 H CYS A 20 -5.583 1.924 -1.245 1.00 0.00 H ATOM 270 HA CYS A 20 -5.185 4.188 -3.061 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.981 1.660 -2.470 1.00 0.00 H ATOM 272 HB3 CYS A 20 -4.348 1.699 -4.194 1.00 0.00 H HETATM 273 N NH2 A 21 -6.958 3.802 -4.825 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.658 3.628 -5.482 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.593 4.705 -4.724 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 10 HETATM 1 N PCA A 1 -2.477 5.540 6.694 1.00 0.00 N HETATM 2 CA PCA A 1 -0.995 5.203 6.673 1.00 0.00 C HETATM 3 CB PCA A 1 -0.954 3.702 6.359 1.00 0.00 C HETATM 4 CG PCA A 1 -2.341 3.343 5.876 1.00 0.00 C HETATM 5 CD PCA A 1 -3.141 4.615 6.061 1.00 0.00 C HETATM 6 OE PCA A 1 -4.087 4.857 5.345 1.00 0.00 O HETATM 7 C PCA A 1 -0.287 6.001 5.564 1.00 0.00 C HETATM 8 O PCA A 1 -0.918 6.732 4.824 1.00 0.00 O HETATM 9 H1 PCA A 1 -2.819 5.571 7.668 1.00 0.00 H HETATM 10 H2 PCA A 1 -2.633 6.465 6.230 1.00 0.00 H HETATM 11 HA PCA A 1 -0.544 5.396 7.631 1.00 0.00 H HETATM 12 HB2 PCA A 1 -0.719 3.140 7.247 1.00 0.00 H HETATM 13 HB3 PCA A 1 -0.222 3.503 5.585 1.00 0.00 H HETATM 14 HG2 PCA A 1 -2.758 2.556 6.479 1.00 0.00 H HETATM 15 HG3 PCA A 1 -2.311 3.056 4.832 1.00 0.00 H ATOM 16 N ASN A 2 1.009 5.863 5.427 1.00 0.00 N ATOM 17 CA ASN A 2 1.723 6.622 4.347 1.00 0.00 C ATOM 18 C ASN A 2 1.763 5.829 3.029 1.00 0.00 C ATOM 19 O ASN A 2 2.546 6.116 2.147 1.00 0.00 O ATOM 20 CB ASN A 2 3.138 6.868 4.885 1.00 0.00 C ATOM 21 CG ASN A 2 3.681 8.170 4.293 1.00 0.00 C ATOM 22 OD1 ASN A 2 3.021 9.183 4.323 1.00 0.00 O ATOM 23 ND2 ASN A 2 4.858 8.184 3.747 1.00 0.00 N ATOM 24 H ASN A 2 1.506 5.262 6.023 1.00 0.00 H ATOM 25 HA ASN A 2 1.232 7.564 4.181 1.00 0.00 H ATOM 26 HB2 ASN A 2 3.109 6.945 5.962 1.00 0.00 H ATOM 27 HB3 ASN A 2 3.783 6.050 4.599 1.00 0.00 H ATOM 28 HD21 ASN A 2 5.391 7.363 3.707 1.00 0.00 H ATOM 29 HD22 ASN A 2 5.208 9.015 3.370 1.00 0.00 H ATOM 30 N CYS A 3 0.906 4.855 2.874 1.00 0.00 N ATOM 31 CA CYS A 3 0.888 4.062 1.596 1.00 0.00 C ATOM 32 C CYS A 3 0.330 4.907 0.442 1.00 0.00 C ATOM 33 O CYS A 3 0.710 4.746 -0.700 1.00 0.00 O ATOM 34 CB CYS A 3 -0.017 2.851 1.858 1.00 0.00 C ATOM 35 SG CYS A 3 0.699 1.390 1.066 1.00 0.00 S ATOM 36 H CYS A 3 0.269 4.657 3.585 1.00 0.00 H ATOM 37 HA CYS A 3 1.881 3.726 1.354 1.00 0.00 H ATOM 38 HB2 CYS A 3 -0.095 2.681 2.925 1.00 0.00 H ATOM 39 HB3 CYS A 3 -1.000 3.038 1.451 1.00 0.00 H ATOM 40 N CYS A 4 -0.570 5.810 0.730 1.00 0.00 N ATOM 41 CA CYS A 4 -1.157 6.664 -0.355 1.00 0.00 C ATOM 42 C CYS A 4 -0.368 7.967 -0.550 1.00 0.00 C ATOM 43 O CYS A 4 -0.539 8.648 -1.536 1.00 0.00 O ATOM 44 CB CYS A 4 -2.581 6.967 0.107 1.00 0.00 C ATOM 45 SG CYS A 4 -3.562 5.444 0.049 1.00 0.00 S ATOM 46 H CYS A 4 -0.865 5.927 1.656 1.00 0.00 H ATOM 47 HA CYS A 4 -1.185 6.112 -1.282 1.00 0.00 H ATOM 48 HB2 CYS A 4 -2.558 7.347 1.121 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.014 7.706 -0.543 1.00 0.00 H ATOM 50 N ASN A 5 0.513 8.301 0.359 1.00 0.00 N ATOM 51 CA ASN A 5 1.330 9.547 0.198 1.00 0.00 C ATOM 52 C ASN A 5 2.712 9.182 -0.376 1.00 0.00 C ATOM 53 O ASN A 5 3.679 9.909 -0.243 1.00 0.00 O ATOM 54 CB ASN A 5 1.448 10.143 1.610 1.00 0.00 C ATOM 55 CG ASN A 5 1.519 11.670 1.518 1.00 0.00 C ATOM 56 OD1 ASN A 5 2.587 12.243 1.540 1.00 0.00 O ATOM 57 ND2 ASN A 5 0.423 12.359 1.413 1.00 0.00 N ATOM 58 H ASN A 5 0.658 7.722 1.130 1.00 0.00 H ATOM 59 HA ASN A 5 0.831 10.241 -0.459 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.589 9.859 2.199 1.00 0.00 H ATOM 61 HB3 ASN A 5 2.346 9.774 2.082 1.00 0.00 H ATOM 62 HD21 ASN A 5 -0.444 11.903 1.389 1.00 0.00 H ATOM 63 HD22 ASN A 5 0.465 13.334 1.356 1.00 0.00 H ATOM 64 N GLY A 6 2.796 8.045 -1.012 1.00 0.00 N ATOM 65 CA GLY A 6 4.087 7.587 -1.605 1.00 0.00 C ATOM 66 C GLY A 6 4.368 6.128 -1.211 1.00 0.00 C ATOM 67 O GLY A 6 5.511 5.735 -1.076 1.00 0.00 O ATOM 68 H GLY A 6 2.002 7.492 -1.099 1.00 0.00 H ATOM 69 HA2 GLY A 6 4.033 7.667 -2.684 1.00 0.00 H ATOM 70 HA3 GLY A 6 4.889 8.208 -1.242 1.00 0.00 H ATOM 71 N GLY A 7 3.346 5.317 -1.035 1.00 0.00 N ATOM 72 CA GLY A 7 3.584 3.881 -0.662 1.00 0.00 C ATOM 73 C GLY A 7 2.843 2.936 -1.617 1.00 0.00 C ATOM 74 O GLY A 7 2.648 1.775 -1.315 1.00 0.00 O ATOM 75 H GLY A 7 2.423 5.645 -1.152 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.642 3.667 -0.715 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.237 3.708 0.344 1.00 0.00 H ATOM 78 N CYS A 8 2.436 3.411 -2.771 1.00 0.00 N ATOM 79 CA CYS A 8 1.718 2.523 -3.744 1.00 0.00 C ATOM 80 C CYS A 8 2.654 2.089 -4.880 1.00 0.00 C ATOM 81 O CYS A 8 2.229 1.533 -5.872 1.00 0.00 O ATOM 82 CB CYS A 8 0.571 3.373 -4.289 1.00 0.00 C ATOM 83 SG CYS A 8 -0.958 2.400 -4.258 1.00 0.00 S ATOM 84 H CYS A 8 2.613 4.343 -3.004 1.00 0.00 H ATOM 85 HA CYS A 8 1.320 1.655 -3.241 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.458 4.255 -3.675 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.792 3.670 -5.304 1.00 0.00 H ATOM 88 N SER A 9 3.932 2.331 -4.732 1.00 0.00 N ATOM 89 CA SER A 9 4.916 1.922 -5.793 1.00 0.00 C ATOM 90 C SER A 9 4.883 0.403 -5.998 1.00 0.00 C ATOM 91 O SER A 9 5.121 -0.095 -7.083 1.00 0.00 O ATOM 92 CB SER A 9 6.281 2.348 -5.255 1.00 0.00 C ATOM 93 OG SER A 9 7.102 2.761 -6.340 1.00 0.00 O ATOM 94 H SER A 9 4.250 2.771 -3.918 1.00 0.00 H ATOM 95 HA SER A 9 4.708 2.432 -6.718 1.00 0.00 H ATOM 96 HB2 SER A 9 6.158 3.165 -4.567 1.00 0.00 H ATOM 97 HB3 SER A 9 6.739 1.514 -4.737 1.00 0.00 H ATOM 98 HG SER A 9 7.442 3.642 -6.139 1.00 0.00 H ATOM 99 N SER A 10 4.591 -0.338 -4.955 1.00 0.00 N ATOM 100 CA SER A 10 4.538 -1.832 -5.069 1.00 0.00 C ATOM 101 C SER A 10 3.107 -2.359 -4.892 1.00 0.00 C ATOM 102 O SER A 10 2.255 -1.729 -4.289 1.00 0.00 O ATOM 103 CB SER A 10 5.440 -2.363 -3.952 1.00 0.00 C ATOM 104 OG SER A 10 6.550 -3.031 -4.533 1.00 0.00 O ATOM 105 H SER A 10 4.400 0.091 -4.092 1.00 0.00 H ATOM 106 HA SER A 10 4.934 -2.145 -6.024 1.00 0.00 H ATOM 107 HB2 SER A 10 5.795 -1.544 -3.345 1.00 0.00 H ATOM 108 HB3 SER A 10 4.877 -3.049 -3.328 1.00 0.00 H ATOM 109 HG SER A 10 6.917 -3.631 -3.869 1.00 0.00 H ATOM 110 N LYS A 11 2.842 -3.516 -5.426 1.00 0.00 N ATOM 111 CA LYS A 11 1.468 -4.129 -5.325 1.00 0.00 C ATOM 112 C LYS A 11 1.043 -4.404 -3.862 1.00 0.00 C ATOM 113 O LYS A 11 -0.131 -4.391 -3.545 1.00 0.00 O ATOM 114 CB LYS A 11 1.569 -5.448 -6.116 1.00 0.00 C ATOM 115 CG LYS A 11 2.506 -6.427 -5.389 1.00 0.00 C ATOM 116 CD LYS A 11 2.962 -7.536 -6.351 1.00 0.00 C ATOM 117 CE LYS A 11 2.489 -8.904 -5.847 1.00 0.00 C ATOM 118 NZ LYS A 11 3.743 -9.680 -5.652 1.00 0.00 N ATOM 119 H LYS A 11 3.551 -3.993 -5.907 1.00 0.00 H ATOM 120 HA LYS A 11 0.742 -3.487 -5.799 1.00 0.00 H ATOM 121 HB2 LYS A 11 0.584 -5.884 -6.208 1.00 0.00 H ATOM 122 HB3 LYS A 11 1.961 -5.238 -7.101 1.00 0.00 H ATOM 123 HG2 LYS A 11 3.376 -5.886 -5.035 1.00 0.00 H ATOM 124 HG3 LYS A 11 1.993 -6.867 -4.545 1.00 0.00 H ATOM 125 HD2 LYS A 11 2.547 -7.352 -7.333 1.00 0.00 H ATOM 126 HD3 LYS A 11 4.040 -7.532 -6.415 1.00 0.00 H ATOM 127 HE2 LYS A 11 1.951 -8.797 -4.911 1.00 0.00 H ATOM 128 HE3 LYS A 11 1.865 -9.383 -6.586 1.00 0.00 H ATOM 129 HZ1 LYS A 11 4.207 -9.827 -6.574 1.00 0.00 H ATOM 130 HZ2 LYS A 11 3.520 -10.605 -5.234 1.00 0.00 H ATOM 131 HZ3 LYS A 11 4.387 -9.161 -5.020 1.00 0.00 H ATOM 132 N TRP A 12 1.982 -4.667 -2.984 1.00 0.00 N ATOM 133 CA TRP A 12 1.626 -4.968 -1.554 1.00 0.00 C ATOM 134 C TRP A 12 0.752 -3.866 -0.920 1.00 0.00 C ATOM 135 O TRP A 12 -0.091 -4.151 -0.098 1.00 0.00 O ATOM 136 CB TRP A 12 2.973 -5.085 -0.826 1.00 0.00 C ATOM 137 CG TRP A 12 2.749 -5.520 0.585 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.903 -4.729 1.672 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.327 -6.829 1.089 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.636 -5.473 2.806 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.269 -6.766 2.496 1.00 0.00 C ATOM 142 CE3 TRP A 12 2.000 -8.052 0.470 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.901 -7.872 3.269 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.631 -9.164 1.239 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.583 -9.076 2.638 1.00 0.00 C ATOM 146 H TRP A 12 2.914 -4.687 -3.270 1.00 0.00 H ATOM 147 HA TRP A 12 1.107 -5.909 -1.497 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.585 -5.817 -1.323 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.476 -4.127 -0.830 1.00 0.00 H ATOM 150 HD1 TRP A 12 3.194 -3.690 1.658 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.688 -5.140 3.728 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.025 -8.138 -0.605 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.858 -7.792 4.351 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.391 -10.094 0.750 1.00 0.00 H ATOM 155 HH2 TRP A 12 1.301 -9.937 3.222 1.00 0.00 H ATOM 156 N CYS A 13 0.942 -2.619 -1.281 1.00 0.00 N ATOM 157 CA CYS A 13 0.114 -1.526 -0.658 1.00 0.00 C ATOM 158 C CYS A 13 -1.379 -1.878 -0.698 1.00 0.00 C ATOM 159 O CYS A 13 -2.068 -1.779 0.297 1.00 0.00 O ATOM 160 CB CYS A 13 0.394 -0.254 -1.466 1.00 0.00 C ATOM 161 SG CYS A 13 -0.367 1.170 -0.635 1.00 0.00 S ATOM 162 H CYS A 13 1.631 -2.400 -1.945 1.00 0.00 H ATOM 163 HA CYS A 13 0.422 -1.383 0.364 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.463 -0.102 -1.535 1.00 0.00 H ATOM 165 HB3 CYS A 13 -0.020 -0.356 -2.456 1.00 0.00 H ATOM 166 N ARG A 14 -1.879 -2.293 -1.830 1.00 0.00 N ATOM 167 CA ARG A 14 -3.330 -2.664 -1.917 1.00 0.00 C ATOM 168 C ARG A 14 -3.565 -4.084 -1.361 1.00 0.00 C ATOM 169 O ARG A 14 -4.665 -4.430 -0.969 1.00 0.00 O ATOM 170 CB ARG A 14 -3.675 -2.593 -3.406 1.00 0.00 C ATOM 171 CG ARG A 14 -5.174 -2.886 -3.608 1.00 0.00 C ATOM 172 CD ARG A 14 -6.010 -1.725 -3.063 1.00 0.00 C ATOM 173 NE ARG A 14 -6.342 -2.107 -1.662 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.363 -2.858 -1.407 1.00 0.00 C ATOM 175 NH1 ARG A 14 -8.562 -2.389 -1.523 1.00 0.00 N ATOM 176 NH2 ARG A 14 -7.171 -4.073 -1.035 1.00 0.00 N ATOM 177 H ARG A 14 -1.302 -2.374 -2.615 1.00 0.00 H ATOM 178 HA ARG A 14 -3.922 -1.953 -1.368 1.00 0.00 H ATOM 179 HB2 ARG A 14 -3.436 -1.611 -3.790 1.00 0.00 H ATOM 180 HB3 ARG A 14 -3.094 -3.334 -3.944 1.00 0.00 H ATOM 181 HG2 ARG A 14 -5.376 -3.006 -4.661 1.00 0.00 H ATOM 182 HG3 ARG A 14 -5.435 -3.791 -3.085 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.434 -0.808 -3.080 1.00 0.00 H ATOM 184 HD3 ARG A 14 -6.916 -1.611 -3.637 1.00 0.00 H ATOM 185 HE ARG A 14 -5.774 -1.795 -0.921 1.00 0.00 H ATOM 186 HH11 ARG A 14 -8.705 -1.444 -1.807 1.00 0.00 H ATOM 187 HH12 ARG A 14 -9.351 -2.971 -1.326 1.00 0.00 H ATOM 188 HH21 ARG A 14 -6.235 -4.423 -0.946 1.00 0.00 H ATOM 189 HH22 ARG A 14 -7.947 -4.660 -0.824 1.00 0.00 H ATOM 190 N ASP A 15 -2.541 -4.893 -1.320 1.00 0.00 N ATOM 191 CA ASP A 15 -2.672 -6.282 -0.782 1.00 0.00 C ATOM 192 C ASP A 15 -3.257 -6.267 0.640 1.00 0.00 C ATOM 193 O ASP A 15 -4.198 -6.970 0.953 1.00 0.00 O ATOM 194 CB ASP A 15 -1.224 -6.781 -0.735 1.00 0.00 C ATOM 195 CG ASP A 15 -1.136 -8.236 -1.205 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.954 -9.031 -0.782 1.00 0.00 O ATOM 197 OD2 ASP A 15 -0.248 -8.528 -1.984 1.00 0.00 O ATOM 198 H ASP A 15 -1.665 -4.577 -1.635 1.00 0.00 H ATOM 199 HA ASP A 15 -3.259 -6.899 -1.440 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.610 -6.161 -1.371 1.00 0.00 H ATOM 201 HB3 ASP A 15 -0.864 -6.708 0.279 1.00 0.00 H ATOM 202 N HIS A 16 -2.667 -5.487 1.500 1.00 0.00 N ATOM 203 CA HIS A 16 -3.118 -5.415 2.922 1.00 0.00 C ATOM 204 C HIS A 16 -3.723 -4.035 3.269 1.00 0.00 C ATOM 205 O HIS A 16 -4.449 -3.903 4.237 1.00 0.00 O ATOM 206 CB HIS A 16 -1.825 -5.661 3.711 1.00 0.00 C ATOM 207 CG HIS A 16 -0.888 -4.514 3.477 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.979 -3.326 4.165 1.00 0.00 N ATOM 209 CD2 HIS A 16 0.127 -4.350 2.580 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.039 -2.505 3.667 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.665 -3.081 2.699 1.00 0.00 N ATOM 212 H HIS A 16 -1.893 -4.963 1.218 1.00 0.00 H ATOM 213 HA HIS A 16 -3.832 -6.189 3.129 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.038 -5.750 4.761 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.354 -6.570 3.356 1.00 0.00 H ATOM 216 HD1 HIS A 16 -1.617 -3.115 4.880 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.462 -5.097 1.880 1.00 0.00 H ATOM 218 HE1 HIS A 16 0.119 -1.498 3.996 1.00 0.00 H ATOM 219 N ALA A 17 -3.415 -3.012 2.512 1.00 0.00 N ATOM 220 CA ALA A 17 -3.956 -1.653 2.825 1.00 0.00 C ATOM 221 C ALA A 17 -5.056 -1.228 1.834 1.00 0.00 C ATOM 222 O ALA A 17 -4.860 -1.167 0.631 1.00 0.00 O ATOM 223 CB ALA A 17 -2.742 -0.719 2.731 1.00 0.00 C ATOM 224 H ALA A 17 -2.816 -3.135 1.750 1.00 0.00 H ATOM 225 HA ALA A 17 -4.344 -1.637 3.831 1.00 0.00 H ATOM 226 HB1 ALA A 17 -1.835 -1.309 2.662 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.699 -0.096 3.608 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.830 -0.102 1.849 1.00 0.00 H ATOM 229 N ARG A 18 -6.219 -0.907 2.343 1.00 0.00 N ATOM 230 CA ARG A 18 -7.347 -0.464 1.456 1.00 0.00 C ATOM 231 C ARG A 18 -7.223 1.031 1.079 1.00 0.00 C ATOM 232 O ARG A 18 -7.983 1.531 0.277 1.00 0.00 O ATOM 233 CB ARG A 18 -8.616 -0.710 2.284 1.00 0.00 C ATOM 234 CG ARG A 18 -8.622 0.201 3.526 1.00 0.00 C ATOM 235 CD ARG A 18 -8.997 -0.622 4.758 1.00 0.00 C ATOM 236 NE ARG A 18 -7.727 -0.745 5.557 1.00 0.00 N ATOM 237 CZ ARG A 18 -7.685 -1.527 6.587 1.00 0.00 C ATOM 238 NH1 ARG A 18 -7.668 -2.805 6.422 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.654 -1.022 7.772 1.00 0.00 N ATOM 240 H ARG A 18 -6.351 -0.953 3.311 1.00 0.00 H ATOM 241 HA ARG A 18 -7.372 -1.065 0.562 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.484 -0.499 1.672 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.641 -1.748 2.596 1.00 0.00 H ATOM 244 HG2 ARG A 18 -7.642 0.635 3.669 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.349 0.988 3.391 1.00 0.00 H ATOM 246 HD2 ARG A 18 -9.760 -0.099 5.327 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.354 -1.598 4.463 1.00 0.00 H ATOM 248 HE ARG A 18 -6.932 -0.229 5.313 1.00 0.00 H ATOM 249 HH11 ARG A 18 -7.686 -3.191 5.501 1.00 0.00 H ATOM 250 HH12 ARG A 18 -7.644 -3.411 7.215 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.669 -0.029 7.895 1.00 0.00 H ATOM 252 HH22 ARG A 18 -7.612 -1.620 8.569 1.00 0.00 H ATOM 253 N CYS A 19 -6.273 1.743 1.642 1.00 0.00 N ATOM 254 CA CYS A 19 -6.115 3.204 1.303 1.00 0.00 C ATOM 255 C CYS A 19 -5.847 3.409 -0.196 1.00 0.00 C ATOM 256 O CYS A 19 -6.411 4.291 -0.813 1.00 0.00 O ATOM 257 CB CYS A 19 -4.915 3.695 2.123 1.00 0.00 C ATOM 258 SG CYS A 19 -4.615 5.450 1.770 1.00 0.00 S ATOM 259 H CYS A 19 -5.673 1.327 2.290 1.00 0.00 H ATOM 260 HA CYS A 19 -6.995 3.754 1.593 1.00 0.00 H ATOM 261 HB2 CYS A 19 -5.128 3.569 3.177 1.00 0.00 H ATOM 262 HB3 CYS A 19 -4.040 3.119 1.863 1.00 0.00 H ATOM 263 N CYS A 20 -4.999 2.608 -0.785 1.00 0.00 N ATOM 264 CA CYS A 20 -4.704 2.764 -2.254 1.00 0.00 C ATOM 265 C CYS A 20 -5.829 2.131 -3.094 1.00 0.00 C ATOM 266 O CYS A 20 -5.612 1.174 -3.804 1.00 0.00 O ATOM 267 CB CYS A 20 -3.375 2.028 -2.489 1.00 0.00 C ATOM 268 SG CYS A 20 -2.056 3.235 -2.788 1.00 0.00 S ATOM 269 H CYS A 20 -4.558 1.903 -0.269 1.00 0.00 H ATOM 270 HA CYS A 20 -4.593 3.807 -2.507 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.133 1.438 -1.621 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.469 1.372 -3.349 1.00 0.00 H HETATM 273 N NH2 A 21 -7.031 2.629 -3.052 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.742 2.230 -3.595 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.224 3.405 -2.484 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 11 HETATM 1 N PCA A 1 6.536 8.528 5.682 1.00 0.00 N HETATM 2 CA PCA A 1 5.697 8.050 4.505 1.00 0.00 C HETATM 3 CB PCA A 1 6.667 7.247 3.629 1.00 0.00 C HETATM 4 CG PCA A 1 8.032 7.411 4.254 1.00 0.00 C HETATM 5 CD PCA A 1 7.803 8.343 5.419 1.00 0.00 C HETATM 6 OE PCA A 1 8.664 9.136 5.732 1.00 0.00 O HETATM 7 C PCA A 1 4.543 7.149 4.975 1.00 0.00 C HETATM 8 O PCA A 1 4.533 6.674 6.096 1.00 0.00 O HETATM 9 H1 PCA A 1 6.385 9.540 5.840 1.00 0.00 H HETATM 10 H2 PCA A 1 6.270 7.992 6.539 1.00 0.00 H HETATM 11 HA PCA A 1 5.317 8.893 3.950 1.00 0.00 H HETATM 12 HB2 PCA A 1 6.674 7.642 2.625 1.00 0.00 H HETATM 13 HB3 PCA A 1 6.381 6.203 3.619 1.00 0.00 H HETATM 14 HG2 PCA A 1 8.718 7.858 3.555 1.00 0.00 H HETATM 15 HG3 PCA A 1 8.403 6.456 4.598 1.00 0.00 H ATOM 16 N ASN A 2 3.582 6.906 4.119 1.00 0.00 N ATOM 17 CA ASN A 2 2.424 6.032 4.487 1.00 0.00 C ATOM 18 C ASN A 2 1.991 5.197 3.264 1.00 0.00 C ATOM 19 O ASN A 2 2.225 5.575 2.133 1.00 0.00 O ATOM 20 CB ASN A 2 1.326 7.013 4.911 1.00 0.00 C ATOM 21 CG ASN A 2 0.038 6.255 5.228 1.00 0.00 C ATOM 22 OD1 ASN A 2 -0.644 5.805 4.338 1.00 0.00 O ATOM 23 ND2 ASN A 2 -0.322 6.092 6.461 1.00 0.00 N ATOM 24 H ASN A 2 3.625 7.298 3.219 1.00 0.00 H ATOM 25 HA ASN A 2 2.685 5.386 5.315 1.00 0.00 H ATOM 26 HB2 ASN A 2 1.646 7.555 5.787 1.00 0.00 H ATOM 27 HB3 ASN A 2 1.140 7.710 4.110 1.00 0.00 H ATOM 28 HD21 ASN A 2 0.229 6.451 7.185 1.00 0.00 H ATOM 29 HD22 ASN A 2 -1.151 5.613 6.665 1.00 0.00 H ATOM 30 N CYS A 3 1.370 4.063 3.484 1.00 0.00 N ATOM 31 CA CYS A 3 0.933 3.198 2.333 1.00 0.00 C ATOM 32 C CYS A 3 -0.150 3.880 1.476 1.00 0.00 C ATOM 33 O CYS A 3 -0.247 3.643 0.291 1.00 0.00 O ATOM 34 CB CYS A 3 0.385 1.920 2.978 1.00 0.00 C ATOM 35 SG CYS A 3 -0.223 0.790 1.700 1.00 0.00 S ATOM 36 H CYS A 3 1.196 3.776 4.406 1.00 0.00 H ATOM 37 HA CYS A 3 1.780 2.952 1.717 1.00 0.00 H ATOM 38 HB2 CYS A 3 1.173 1.436 3.534 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.423 2.175 3.649 1.00 0.00 H ATOM 40 N CYS A 4 -0.967 4.718 2.053 1.00 0.00 N ATOM 41 CA CYS A 4 -2.042 5.392 1.245 1.00 0.00 C ATOM 42 C CYS A 4 -1.807 6.897 1.098 1.00 0.00 C ATOM 43 O CYS A 4 -2.494 7.552 0.340 1.00 0.00 O ATOM 44 CB CYS A 4 -3.332 5.139 2.020 1.00 0.00 C ATOM 45 SG CYS A 4 -4.647 4.680 0.863 1.00 0.00 S ATOM 46 H CYS A 4 -0.886 4.903 3.015 1.00 0.00 H ATOM 47 HA CYS A 4 -2.111 4.943 0.267 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.175 4.338 2.730 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.615 6.036 2.550 1.00 0.00 H ATOM 50 N ASN A 5 -0.837 7.453 1.773 1.00 0.00 N ATOM 51 CA ASN A 5 -0.575 8.917 1.618 1.00 0.00 C ATOM 52 C ASN A 5 0.565 9.141 0.617 1.00 0.00 C ATOM 53 O ASN A 5 1.231 10.157 0.630 1.00 0.00 O ATOM 54 CB ASN A 5 -0.197 9.415 3.020 1.00 0.00 C ATOM 55 CG ASN A 5 -0.816 10.793 3.258 1.00 0.00 C ATOM 56 OD1 ASN A 5 -0.356 11.784 2.735 1.00 0.00 O ATOM 57 ND2 ASN A 5 -1.843 10.907 4.031 1.00 0.00 N ATOM 58 H ASN A 5 -0.271 6.911 2.350 1.00 0.00 H ATOM 59 HA ASN A 5 -1.463 9.422 1.277 1.00 0.00 H ATOM 60 HB2 ASN A 5 -0.567 8.720 3.760 1.00 0.00 H ATOM 61 HB3 ASN A 5 0.877 9.487 3.100 1.00 0.00 H ATOM 62 HD21 ASN A 5 -2.224 10.117 4.461 1.00 0.00 H ATOM 63 HD22 ASN A 5 -2.241 11.786 4.181 1.00 0.00 H ATOM 64 N GLY A 6 0.782 8.191 -0.253 1.00 0.00 N ATOM 65 CA GLY A 6 1.868 8.318 -1.274 1.00 0.00 C ATOM 66 C GLY A 6 2.757 7.072 -1.253 1.00 0.00 C ATOM 67 O GLY A 6 3.932 7.142 -1.559 1.00 0.00 O ATOM 68 H GLY A 6 0.224 7.392 -0.237 1.00 0.00 H ATOM 69 HA2 GLY A 6 1.429 8.428 -2.253 1.00 0.00 H ATOM 70 HA3 GLY A 6 2.466 9.184 -1.049 1.00 0.00 H ATOM 71 N GLY A 7 2.212 5.930 -0.909 1.00 0.00 N ATOM 72 CA GLY A 7 3.039 4.683 -0.879 1.00 0.00 C ATOM 73 C GLY A 7 2.329 3.589 -1.660 1.00 0.00 C ATOM 74 O GLY A 7 2.045 2.532 -1.143 1.00 0.00 O ATOM 75 H GLY A 7 1.259 5.888 -0.673 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.001 4.876 -1.323 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.168 4.359 0.140 1.00 0.00 H ATOM 78 N CYS A 8 2.035 3.841 -2.907 1.00 0.00 N ATOM 79 CA CYS A 8 1.320 2.820 -3.738 1.00 0.00 C ATOM 80 C CYS A 8 2.261 2.109 -4.713 1.00 0.00 C ATOM 81 O CYS A 8 1.819 1.373 -5.572 1.00 0.00 O ATOM 82 CB CYS A 8 0.283 3.624 -4.510 1.00 0.00 C ATOM 83 SG CYS A 8 -1.351 2.899 -4.257 1.00 0.00 S ATOM 84 H CYS A 8 2.270 4.711 -3.292 1.00 0.00 H ATOM 85 HA CYS A 8 0.832 2.099 -3.111 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.284 4.642 -4.152 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.525 3.612 -5.560 1.00 0.00 H ATOM 88 N SER A 9 3.549 2.297 -4.581 1.00 0.00 N ATOM 89 CA SER A 9 4.505 1.598 -5.496 1.00 0.00 C ATOM 90 C SER A 9 4.765 0.170 -4.990 1.00 0.00 C ATOM 91 O SER A 9 5.226 -0.685 -5.725 1.00 0.00 O ATOM 92 CB SER A 9 5.781 2.424 -5.435 1.00 0.00 C ATOM 93 OG SER A 9 6.242 2.672 -6.761 1.00 0.00 O ATOM 94 H SER A 9 3.891 2.877 -3.876 1.00 0.00 H ATOM 95 HA SER A 9 4.126 1.577 -6.502 1.00 0.00 H ATOM 96 HB2 SER A 9 5.577 3.360 -4.945 1.00 0.00 H ATOM 97 HB3 SER A 9 6.530 1.888 -4.870 1.00 0.00 H ATOM 98 HG SER A 9 7.204 2.765 -6.729 1.00 0.00 H ATOM 99 N SER A 10 4.473 -0.094 -3.740 1.00 0.00 N ATOM 100 CA SER A 10 4.694 -1.460 -3.178 1.00 0.00 C ATOM 101 C SER A 10 3.496 -2.367 -3.489 1.00 0.00 C ATOM 102 O SER A 10 2.348 -2.003 -3.288 1.00 0.00 O ATOM 103 CB SER A 10 4.832 -1.265 -1.666 1.00 0.00 C ATOM 104 OG SER A 10 4.190 -0.052 -1.273 1.00 0.00 O ATOM 105 H SER A 10 4.102 0.605 -3.165 1.00 0.00 H ATOM 106 HA SER A 10 5.596 -1.889 -3.580 1.00 0.00 H ATOM 107 HB2 SER A 10 4.363 -2.087 -1.162 1.00 0.00 H ATOM 108 HB3 SER A 10 5.882 -1.235 -1.405 1.00 0.00 H ATOM 109 HG SER A 10 4.353 0.086 -0.334 1.00 0.00 H ATOM 110 N LYS A 11 3.758 -3.543 -3.983 1.00 0.00 N ATOM 111 CA LYS A 11 2.648 -4.494 -4.327 1.00 0.00 C ATOM 112 C LYS A 11 1.785 -4.827 -3.094 1.00 0.00 C ATOM 113 O LYS A 11 0.569 -4.787 -3.154 1.00 0.00 O ATOM 114 CB LYS A 11 3.352 -5.751 -4.849 1.00 0.00 C ATOM 115 CG LYS A 11 2.342 -6.638 -5.588 1.00 0.00 C ATOM 116 CD LYS A 11 2.780 -8.105 -5.498 1.00 0.00 C ATOM 117 CE LYS A 11 3.615 -8.472 -6.728 1.00 0.00 C ATOM 118 NZ LYS A 11 4.943 -8.874 -6.182 1.00 0.00 N ATOM 119 H LYS A 11 4.687 -3.803 -4.134 1.00 0.00 H ATOM 120 HA LYS A 11 2.031 -4.073 -5.104 1.00 0.00 H ATOM 121 HB2 LYS A 11 4.144 -5.462 -5.527 1.00 0.00 H ATOM 122 HB3 LYS A 11 3.772 -6.300 -4.019 1.00 0.00 H ATOM 123 HG2 LYS A 11 1.364 -6.527 -5.136 1.00 0.00 H ATOM 124 HG3 LYS A 11 2.293 -6.341 -6.625 1.00 0.00 H ATOM 125 HD2 LYS A 11 3.371 -8.252 -4.605 1.00 0.00 H ATOM 126 HD3 LYS A 11 1.907 -8.740 -5.458 1.00 0.00 H ATOM 127 HE2 LYS A 11 3.153 -9.295 -7.262 1.00 0.00 H ATOM 128 HE3 LYS A 11 3.723 -7.616 -7.377 1.00 0.00 H ATOM 129 HZ1 LYS A 11 5.264 -8.169 -5.486 1.00 0.00 H ATOM 130 HZ2 LYS A 11 5.635 -8.931 -6.955 1.00 0.00 H ATOM 131 HZ3 LYS A 11 4.862 -9.803 -5.720 1.00 0.00 H ATOM 132 N TRP A 12 2.405 -5.155 -1.983 1.00 0.00 N ATOM 133 CA TRP A 12 1.618 -5.500 -0.744 1.00 0.00 C ATOM 134 C TRP A 12 0.641 -4.371 -0.376 1.00 0.00 C ATOM 135 O TRP A 12 -0.471 -4.622 0.044 1.00 0.00 O ATOM 136 CB TRP A 12 2.675 -5.692 0.352 1.00 0.00 C ATOM 137 CG TRP A 12 2.021 -6.043 1.655 1.00 0.00 C ATOM 138 CD1 TRP A 12 1.939 -5.226 2.727 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.338 -7.270 2.038 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.282 -5.883 3.751 1.00 0.00 N ATOM 141 CE2 TRP A 12 0.888 -7.142 3.371 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.071 -8.479 1.371 1.00 0.00 C ATOM 143 CZ2 TRP A 12 0.204 -8.170 4.017 1.00 0.00 C ATOM 144 CZ3 TRP A 12 0.381 -9.516 2.019 1.00 0.00 C ATOM 145 CH2 TRP A 12 -0.052 -9.360 3.340 1.00 0.00 C ATOM 146 H TRP A 12 3.383 -5.182 -1.964 1.00 0.00 H ATOM 147 HA TRP A 12 1.072 -6.414 -0.895 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.346 -6.492 0.065 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.230 -4.774 0.465 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.320 -4.225 2.776 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.107 -5.513 4.643 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.401 -8.612 0.358 1.00 0.00 H ATOM 153 HZ2 TRP A 12 -0.121 -8.048 5.033 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.186 -10.445 1.497 1.00 0.00 H ATOM 155 HH2 TRP A 12 -0.582 -10.158 3.836 1.00 0.00 H ATOM 156 N CYS A 13 1.045 -3.136 -0.527 1.00 0.00 N ATOM 157 CA CYS A 13 0.129 -1.993 -0.172 1.00 0.00 C ATOM 158 C CYS A 13 -1.261 -2.166 -0.799 1.00 0.00 C ATOM 159 O CYS A 13 -2.260 -1.978 -0.145 1.00 0.00 O ATOM 160 CB CYS A 13 0.809 -0.730 -0.702 1.00 0.00 C ATOM 161 SG CYS A 13 1.439 0.230 0.700 1.00 0.00 S ATOM 162 H CYS A 13 1.947 -2.957 -0.865 1.00 0.00 H ATOM 163 HA CYS A 13 0.031 -1.922 0.894 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.628 -0.999 -1.356 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.094 -0.135 -1.249 1.00 0.00 H ATOM 166 N ARG A 14 -1.334 -2.537 -2.048 1.00 0.00 N ATOM 167 CA ARG A 14 -2.675 -2.732 -2.696 1.00 0.00 C ATOM 168 C ARG A 14 -3.319 -4.062 -2.231 1.00 0.00 C ATOM 169 O ARG A 14 -4.518 -4.246 -2.327 1.00 0.00 O ATOM 170 CB ARG A 14 -2.376 -2.761 -4.203 1.00 0.00 C ATOM 171 CG ARG A 14 -3.656 -3.050 -4.999 1.00 0.00 C ATOM 172 CD ARG A 14 -4.774 -2.082 -4.581 1.00 0.00 C ATOM 173 NE ARG A 14 -4.316 -0.724 -5.029 1.00 0.00 N ATOM 174 CZ ARG A 14 -4.399 -0.386 -6.271 1.00 0.00 C ATOM 175 NH1 ARG A 14 -5.500 0.088 -6.736 1.00 0.00 N ATOM 176 NH2 ARG A 14 -3.378 -0.519 -7.036 1.00 0.00 N ATOM 177 H ARG A 14 -0.515 -2.701 -2.557 1.00 0.00 H ATOM 178 HA ARG A 14 -3.323 -1.902 -2.467 1.00 0.00 H ATOM 179 HB2 ARG A 14 -1.978 -1.804 -4.499 1.00 0.00 H ATOM 180 HB3 ARG A 14 -1.648 -3.532 -4.406 1.00 0.00 H ATOM 181 HG2 ARG A 14 -3.457 -2.936 -6.055 1.00 0.00 H ATOM 182 HG3 ARG A 14 -3.975 -4.066 -4.805 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.707 -2.353 -5.072 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.901 -2.101 -3.508 1.00 0.00 H ATOM 185 HE ARG A 14 -3.958 -0.083 -4.376 1.00 0.00 H ATOM 186 HH11 ARG A 14 -6.287 0.193 -6.134 1.00 0.00 H ATOM 187 HH12 ARG A 14 -5.569 0.350 -7.695 1.00 0.00 H ATOM 188 HH21 ARG A 14 -2.527 -0.881 -6.670 1.00 0.00 H ATOM 189 HH22 ARG A 14 -3.439 -0.261 -7.995 1.00 0.00 H ATOM 190 N ASP A 15 -2.528 -4.974 -1.727 1.00 0.00 N ATOM 191 CA ASP A 15 -3.068 -6.291 -1.251 1.00 0.00 C ATOM 192 C ASP A 15 -3.987 -6.112 -0.025 1.00 0.00 C ATOM 193 O ASP A 15 -5.148 -6.483 -0.026 1.00 0.00 O ATOM 194 CB ASP A 15 -1.809 -7.066 -0.843 1.00 0.00 C ATOM 195 CG ASP A 15 -1.934 -8.534 -1.234 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.968 -9.110 -0.963 1.00 0.00 O ATOM 197 OD2 ASP A 15 -0.988 -9.069 -1.788 1.00 0.00 O ATOM 198 H ASP A 15 -1.564 -4.793 -1.657 1.00 0.00 H ATOM 199 HA ASP A 15 -3.582 -6.810 -2.044 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.951 -6.631 -1.332 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.679 -6.992 0.229 1.00 0.00 H ATOM 202 N HIS A 16 -3.447 -5.566 1.025 1.00 0.00 N ATOM 203 CA HIS A 16 -4.228 -5.368 2.283 1.00 0.00 C ATOM 204 C HIS A 16 -4.810 -3.941 2.365 1.00 0.00 C ATOM 205 O HIS A 16 -5.823 -3.719 3.003 1.00 0.00 O ATOM 206 CB HIS A 16 -3.198 -5.611 3.403 1.00 0.00 C ATOM 207 CG HIS A 16 -2.129 -4.570 3.323 1.00 0.00 C ATOM 208 ND1 HIS A 16 -2.268 -3.311 3.868 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.915 -4.575 2.703 1.00 0.00 C ATOM 210 CE1 HIS A 16 -1.158 -2.617 3.556 1.00 0.00 C ATOM 211 NE2 HIS A 16 -0.302 -3.341 2.849 1.00 0.00 N ATOM 212 H HIS A 16 -2.503 -5.294 0.989 1.00 0.00 H ATOM 213 HA HIS A 16 -5.019 -6.090 2.352 1.00 0.00 H ATOM 214 HB2 HIS A 16 -3.682 -5.567 4.363 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.741 -6.581 3.271 1.00 0.00 H ATOM 216 HD1 HIS A 16 -3.039 -2.981 4.381 1.00 0.00 H ATOM 217 HD2 HIS A 16 -0.492 -5.420 2.177 1.00 0.00 H ATOM 218 HE1 HIS A 16 -1.000 -1.593 3.809 1.00 0.00 H ATOM 219 N ALA A 17 -4.182 -2.977 1.736 1.00 0.00 N ATOM 220 CA ALA A 17 -4.701 -1.573 1.787 1.00 0.00 C ATOM 221 C ALA A 17 -5.443 -1.222 0.479 1.00 0.00 C ATOM 222 O ALA A 17 -4.846 -0.977 -0.552 1.00 0.00 O ATOM 223 CB ALA A 17 -3.443 -0.711 1.982 1.00 0.00 C ATOM 224 H ALA A 17 -3.365 -3.177 1.226 1.00 0.00 H ATOM 225 HA ALA A 17 -5.366 -1.445 2.632 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.544 -0.110 2.875 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.313 -0.064 1.128 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.572 -1.349 2.080 1.00 0.00 H ATOM 229 N ARG A 18 -6.753 -1.204 0.517 1.00 0.00 N ATOM 230 CA ARG A 18 -7.544 -0.882 -0.720 1.00 0.00 C ATOM 231 C ARG A 18 -7.744 0.638 -0.895 1.00 0.00 C ATOM 232 O ARG A 18 -8.096 1.096 -1.963 1.00 0.00 O ATOM 233 CB ARG A 18 -8.891 -1.584 -0.515 1.00 0.00 C ATOM 234 CG ARG A 18 -8.712 -3.095 -0.694 1.00 0.00 C ATOM 235 CD ARG A 18 -9.423 -3.841 0.441 1.00 0.00 C ATOM 236 NE ARG A 18 -8.344 -4.195 1.417 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.470 -5.218 2.176 1.00 0.00 C ATOM 238 NH1 ARG A 18 -9.194 -5.144 3.232 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.864 -6.305 1.878 1.00 0.00 N ATOM 240 H ARG A 18 -7.219 -1.407 1.351 1.00 0.00 H ATOM 241 HA ARG A 18 -7.055 -1.289 -1.593 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.252 -1.377 0.482 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.604 -1.219 -1.239 1.00 0.00 H ATOM 244 HG2 ARG A 18 -9.137 -3.393 -1.643 1.00 0.00 H ATOM 245 HG3 ARG A 18 -7.660 -3.338 -0.681 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.162 -3.199 0.904 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.893 -4.740 0.060 1.00 0.00 H ATOM 248 HE ARG A 18 -7.536 -3.643 1.486 1.00 0.00 H ATOM 249 HH11 ARG A 18 -9.651 -4.286 3.457 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.292 -5.936 3.828 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.294 -6.344 1.058 1.00 0.00 H ATOM 252 HH22 ARG A 18 -7.965 -7.107 2.455 1.00 0.00 H ATOM 253 N CYS A 19 -7.525 1.422 0.132 1.00 0.00 N ATOM 254 CA CYS A 19 -7.710 2.909 0.004 1.00 0.00 C ATOM 255 C CYS A 19 -6.771 3.504 -1.059 1.00 0.00 C ATOM 256 O CYS A 19 -7.023 4.572 -1.585 1.00 0.00 O ATOM 257 CB CYS A 19 -7.377 3.485 1.381 1.00 0.00 C ATOM 258 SG CYS A 19 -5.635 3.178 1.781 1.00 0.00 S ATOM 259 H CYS A 19 -7.243 1.038 0.985 1.00 0.00 H ATOM 260 HA CYS A 19 -8.736 3.136 -0.239 1.00 0.00 H ATOM 261 HB2 CYS A 19 -7.564 4.547 1.377 1.00 0.00 H ATOM 262 HB3 CYS A 19 -8.005 3.012 2.122 1.00 0.00 H ATOM 263 N CYS A 20 -5.697 2.818 -1.377 1.00 0.00 N ATOM 264 CA CYS A 20 -4.742 3.336 -2.411 1.00 0.00 C ATOM 265 C CYS A 20 -5.137 2.814 -3.800 1.00 0.00 C ATOM 266 O CYS A 20 -4.631 1.811 -4.255 1.00 0.00 O ATOM 267 CB CYS A 20 -3.367 2.799 -2.002 1.00 0.00 C ATOM 268 SG CYS A 20 -2.084 3.887 -2.659 1.00 0.00 S ATOM 269 H CYS A 20 -5.522 1.958 -0.941 1.00 0.00 H ATOM 270 HA CYS A 20 -4.731 4.419 -2.406 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.297 2.773 -0.926 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.230 1.804 -2.400 1.00 0.00 H HETATM 273 N NH2 A 21 -6.019 3.463 -4.500 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -6.263 3.146 -5.392 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.433 4.273 -4.137 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 12 HETATM 1 N PCA A 1 5.229 6.959 7.417 1.00 0.00 N HETATM 2 CA PCA A 1 5.091 6.285 6.063 1.00 0.00 C HETATM 3 CB PCA A 1 5.923 4.992 6.172 1.00 0.00 C HETATM 4 CG PCA A 1 6.358 4.889 7.611 1.00 0.00 C HETATM 5 CD PCA A 1 5.825 6.153 8.249 1.00 0.00 C HETATM 6 OE PCA A 1 5.807 6.290 9.450 1.00 0.00 O HETATM 7 C PCA A 1 3.621 5.953 5.778 1.00 0.00 C HETATM 8 O PCA A 1 3.102 4.941 6.221 1.00 0.00 O HETATM 9 H1 PCA A 1 5.806 7.812 7.327 1.00 0.00 H HETATM 10 H2 PCA A 1 4.280 7.211 7.781 1.00 0.00 H HETATM 11 HA PCA A 1 5.492 6.917 5.287 1.00 0.00 H HETATM 12 HB2 PCA A 1 6.788 5.055 5.530 1.00 0.00 H HETATM 13 HB3 PCA A 1 5.322 4.135 5.903 1.00 0.00 H HETATM 14 HG2 PCA A 1 7.436 4.863 7.683 1.00 0.00 H HETATM 15 HG3 PCA A 1 5.922 4.011 8.071 1.00 0.00 H ATOM 16 N ASN A 2 2.948 6.803 5.046 1.00 0.00 N ATOM 17 CA ASN A 2 1.501 6.549 4.729 1.00 0.00 C ATOM 18 C ASN A 2 1.357 5.921 3.327 1.00 0.00 C ATOM 19 O ASN A 2 1.661 6.535 2.322 1.00 0.00 O ATOM 20 CB ASN A 2 0.834 7.931 4.788 1.00 0.00 C ATOM 21 CG ASN A 2 0.916 8.477 6.215 1.00 0.00 C ATOM 22 OD1 ASN A 2 1.987 8.611 6.766 1.00 0.00 O ATOM 23 ND2 ASN A 2 -0.173 8.795 6.842 1.00 0.00 N ATOM 24 H ASN A 2 3.389 7.613 4.709 1.00 0.00 H ATOM 25 HA ASN A 2 1.063 5.903 5.473 1.00 0.00 H ATOM 26 HB2 ASN A 2 1.337 8.610 4.113 1.00 0.00 H ATOM 27 HB3 ASN A 2 -0.202 7.841 4.502 1.00 0.00 H ATOM 28 HD21 ASN A 2 -1.043 8.680 6.409 1.00 0.00 H ATOM 29 HD22 ASN A 2 -0.122 9.153 7.753 1.00 0.00 H ATOM 30 N CYS A 3 0.901 4.694 3.271 1.00 0.00 N ATOM 31 CA CYS A 3 0.736 3.975 1.950 1.00 0.00 C ATOM 32 C CYS A 3 -0.084 4.790 0.942 1.00 0.00 C ATOM 33 O CYS A 3 0.238 4.852 -0.228 1.00 0.00 O ATOM 34 CB CYS A 3 0.010 2.659 2.277 1.00 0.00 C ATOM 35 SG CYS A 3 0.794 1.302 1.378 1.00 0.00 S ATOM 36 H CYS A 3 0.675 4.236 4.106 1.00 0.00 H ATOM 37 HA CYS A 3 1.697 3.755 1.531 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.067 2.463 3.338 1.00 0.00 H ATOM 39 HB3 CYS A 3 -1.026 2.729 1.980 1.00 0.00 H ATOM 40 N CYS A 4 -1.149 5.404 1.371 1.00 0.00 N ATOM 41 CA CYS A 4 -1.987 6.197 0.411 1.00 0.00 C ATOM 42 C CYS A 4 -1.463 7.627 0.226 1.00 0.00 C ATOM 43 O CYS A 4 -1.921 8.344 -0.639 1.00 0.00 O ATOM 44 CB CYS A 4 -3.380 6.220 1.023 1.00 0.00 C ATOM 45 SG CYS A 4 -4.171 4.614 0.767 1.00 0.00 S ATOM 46 H CYS A 4 -1.404 5.337 2.314 1.00 0.00 H ATOM 47 HA CYS A 4 -2.012 5.700 -0.546 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.301 6.422 2.085 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.963 6.992 0.554 1.00 0.00 H ATOM 50 N ASN A 5 -0.499 8.041 1.002 1.00 0.00 N ATOM 51 CA ASN A 5 0.058 9.427 0.824 1.00 0.00 C ATOM 52 C ASN A 5 1.337 9.368 -0.027 1.00 0.00 C ATOM 53 O ASN A 5 2.168 10.259 0.001 1.00 0.00 O ATOM 54 CB ASN A 5 0.355 9.928 2.243 1.00 0.00 C ATOM 55 CG ASN A 5 -0.360 11.257 2.478 1.00 0.00 C ATOM 56 OD1 ASN A 5 -1.207 11.358 3.335 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.052 12.289 1.755 1.00 0.00 N ATOM 58 H ASN A 5 -0.124 7.442 1.677 1.00 0.00 H ATOM 59 HA ASN A 5 -0.674 10.063 0.347 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.001 9.204 2.955 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.417 10.070 2.364 1.00 0.00 H ATOM 62 HD21 ASN A 5 0.637 12.219 1.062 1.00 0.00 H ATOM 63 HD22 ASN A 5 -0.513 13.139 1.903 1.00 0.00 H ATOM 64 N GLY A 6 1.487 8.312 -0.782 1.00 0.00 N ATOM 65 CA GLY A 6 2.693 8.145 -1.650 1.00 0.00 C ATOM 66 C GLY A 6 3.362 6.788 -1.381 1.00 0.00 C ATOM 67 O GLY A 6 4.564 6.659 -1.490 1.00 0.00 O ATOM 68 H GLY A 6 0.801 7.625 -0.776 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.398 8.199 -2.688 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.397 8.930 -1.437 1.00 0.00 H ATOM 71 N GLY A 7 2.602 5.770 -1.029 1.00 0.00 N ATOM 72 CA GLY A 7 3.226 4.430 -0.754 1.00 0.00 C ATOM 73 C GLY A 7 2.556 3.339 -1.599 1.00 0.00 C ATOM 74 O GLY A 7 2.377 2.225 -1.155 1.00 0.00 O ATOM 75 H GLY A 7 1.624 5.884 -0.941 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.278 4.473 -0.990 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.109 4.184 0.291 1.00 0.00 H ATOM 78 N CYS A 8 2.205 3.641 -2.822 1.00 0.00 N ATOM 79 CA CYS A 8 1.557 2.607 -3.695 1.00 0.00 C ATOM 80 C CYS A 8 2.555 2.060 -4.726 1.00 0.00 C ATOM 81 O CYS A 8 2.183 1.359 -5.642 1.00 0.00 O ATOM 82 CB CYS A 8 0.407 3.338 -4.390 1.00 0.00 C ATOM 83 SG CYS A 8 -1.111 2.356 -4.246 1.00 0.00 S ATOM 84 H CYS A 8 2.374 4.544 -3.169 1.00 0.00 H ATOM 85 HA CYS A 8 1.169 1.798 -3.095 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.263 4.301 -3.922 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.648 3.480 -5.432 1.00 0.00 H ATOM 88 N SER A 9 3.820 2.367 -4.572 1.00 0.00 N ATOM 89 CA SER A 9 4.856 1.858 -5.535 1.00 0.00 C ATOM 90 C SER A 9 5.003 0.332 -5.414 1.00 0.00 C ATOM 91 O SER A 9 5.408 -0.343 -6.345 1.00 0.00 O ATOM 92 CB SER A 9 6.149 2.551 -5.111 1.00 0.00 C ATOM 93 OG SER A 9 6.841 3.009 -6.267 1.00 0.00 O ATOM 94 H SER A 9 4.096 2.925 -3.820 1.00 0.00 H ATOM 95 HA SER A 9 4.603 2.132 -6.545 1.00 0.00 H ATOM 96 HB2 SER A 9 5.914 3.392 -4.480 1.00 0.00 H ATOM 97 HB3 SER A 9 6.764 1.856 -4.557 1.00 0.00 H ATOM 98 HG SER A 9 7.325 3.810 -6.024 1.00 0.00 H ATOM 99 N SER A 10 4.675 -0.217 -4.272 1.00 0.00 N ATOM 100 CA SER A 10 4.791 -1.695 -4.091 1.00 0.00 C ATOM 101 C SER A 10 3.410 -2.354 -4.150 1.00 0.00 C ATOM 102 O SER A 10 2.400 -1.762 -3.809 1.00 0.00 O ATOM 103 CB SER A 10 5.414 -1.896 -2.717 1.00 0.00 C ATOM 104 OG SER A 10 6.723 -2.430 -2.881 1.00 0.00 O ATOM 105 H SER A 10 4.350 0.341 -3.539 1.00 0.00 H ATOM 106 HA SER A 10 5.435 -2.116 -4.847 1.00 0.00 H ATOM 107 HB2 SER A 10 5.468 -0.953 -2.203 1.00 0.00 H ATOM 108 HB3 SER A 10 4.801 -2.583 -2.147 1.00 0.00 H ATOM 109 HG SER A 10 7.357 -1.782 -2.551 1.00 0.00 H ATOM 110 N LYS A 11 3.368 -3.584 -4.581 1.00 0.00 N ATOM 111 CA LYS A 11 2.061 -4.321 -4.687 1.00 0.00 C ATOM 112 C LYS A 11 1.430 -4.578 -3.304 1.00 0.00 C ATOM 113 O LYS A 11 0.224 -4.621 -3.180 1.00 0.00 O ATOM 114 CB LYS A 11 2.410 -5.651 -5.368 1.00 0.00 C ATOM 115 CG LYS A 11 2.282 -5.498 -6.891 1.00 0.00 C ATOM 116 CD LYS A 11 2.828 -6.752 -7.580 1.00 0.00 C ATOM 117 CE LYS A 11 2.982 -6.486 -9.083 1.00 0.00 C ATOM 118 NZ LYS A 11 3.108 -7.833 -9.698 1.00 0.00 N ATOM 119 H LYS A 11 4.201 -4.024 -4.840 1.00 0.00 H ATOM 120 HA LYS A 11 1.375 -3.771 -5.306 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.421 -5.930 -5.114 1.00 0.00 H ATOM 122 HB3 LYS A 11 1.727 -6.416 -5.027 1.00 0.00 H ATOM 123 HG2 LYS A 11 1.242 -5.366 -7.157 1.00 0.00 H ATOM 124 HG3 LYS A 11 2.850 -4.639 -7.218 1.00 0.00 H ATOM 125 HD2 LYS A 11 3.790 -7.005 -7.158 1.00 0.00 H ATOM 126 HD3 LYS A 11 2.142 -7.576 -7.431 1.00 0.00 H ATOM 127 HE2 LYS A 11 2.109 -5.972 -9.466 1.00 0.00 H ATOM 128 HE3 LYS A 11 3.874 -5.905 -9.273 1.00 0.00 H ATOM 129 HZ1 LYS A 11 3.398 -7.730 -10.691 1.00 0.00 H ATOM 130 HZ2 LYS A 11 2.196 -8.324 -9.659 1.00 0.00 H ATOM 131 HZ3 LYS A 11 3.826 -8.388 -9.188 1.00 0.00 H ATOM 132 N TRP A 12 2.226 -4.745 -2.269 1.00 0.00 N ATOM 133 CA TRP A 12 1.654 -5.008 -0.904 1.00 0.00 C ATOM 134 C TRP A 12 0.630 -3.926 -0.506 1.00 0.00 C ATOM 135 O TRP A 12 -0.401 -4.227 0.055 1.00 0.00 O ATOM 136 CB TRP A 12 2.865 -4.990 0.042 1.00 0.00 C ATOM 137 CG TRP A 12 2.432 -5.323 1.438 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.392 -4.443 2.464 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.969 -6.596 1.978 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.946 -5.095 3.598 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.674 -6.423 3.352 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.786 -7.874 1.420 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.205 -7.467 4.138 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.315 -8.938 2.215 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.027 -8.732 3.574 1.00 0.00 C ATOM 146 H TRP A 12 3.200 -4.709 -2.393 1.00 0.00 H ATOM 147 HA TRP A 12 1.190 -5.978 -0.876 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.586 -5.722 -0.286 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.318 -4.008 0.032 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.649 -3.399 2.404 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.826 -4.681 4.480 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.005 -8.036 0.372 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.988 -7.303 5.184 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.181 -9.916 1.776 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.664 -9.549 4.181 1.00 0.00 H ATOM 156 N CYS A 13 0.901 -2.678 -0.791 1.00 0.00 N ATOM 157 CA CYS A 13 -0.074 -1.594 -0.414 1.00 0.00 C ATOM 158 C CYS A 13 -1.504 -1.950 -0.851 1.00 0.00 C ATOM 159 O CYS A 13 -2.441 -1.765 -0.109 1.00 0.00 O ATOM 160 CB CYS A 13 0.395 -0.324 -1.137 1.00 0.00 C ATOM 161 SG CYS A 13 -0.292 1.133 -0.315 1.00 0.00 S ATOM 162 H CYS A 13 1.741 -2.456 -1.247 1.00 0.00 H ATOM 163 HA CYS A 13 -0.050 -1.436 0.651 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.472 -0.270 -1.107 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.064 -0.348 -2.163 1.00 0.00 H ATOM 166 N ARG A 14 -1.680 -2.471 -2.039 1.00 0.00 N ATOM 167 CA ARG A 14 -3.056 -2.845 -2.508 1.00 0.00 C ATOM 168 C ARG A 14 -3.476 -4.209 -1.921 1.00 0.00 C ATOM 169 O ARG A 14 -4.647 -4.550 -1.886 1.00 0.00 O ATOM 170 CB ARG A 14 -2.944 -2.919 -4.041 1.00 0.00 C ATOM 171 CG ARG A 14 -4.185 -2.285 -4.678 1.00 0.00 C ATOM 172 CD ARG A 14 -5.314 -3.317 -4.754 1.00 0.00 C ATOM 173 NE ARG A 14 -6.238 -2.953 -3.642 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.302 -2.257 -3.874 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.244 -0.974 -3.869 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.418 -2.851 -4.116 1.00 0.00 N ATOM 177 H ARG A 14 -0.909 -2.626 -2.624 1.00 0.00 H ATOM 178 HA ARG A 14 -3.764 -2.086 -2.230 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.064 -2.379 -4.361 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.861 -3.951 -4.353 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.504 -1.443 -4.084 1.00 0.00 H ATOM 182 HG3 ARG A 14 -3.946 -1.948 -5.676 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.821 -3.255 -5.708 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.924 -4.315 -4.598 1.00 0.00 H ATOM 185 HE ARG A 14 -6.040 -3.251 -2.725 1.00 0.00 H ATOM 186 HH11 ARG A 14 -6.373 -0.513 -3.683 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.065 -0.436 -4.051 1.00 0.00 H ATOM 188 HH21 ARG A 14 -8.458 -3.845 -4.117 1.00 0.00 H ATOM 189 HH22 ARG A 14 -9.238 -2.316 -4.306 1.00 0.00 H ATOM 190 N ASP A 15 -2.525 -4.985 -1.470 1.00 0.00 N ATOM 191 CA ASP A 15 -2.819 -6.327 -0.887 1.00 0.00 C ATOM 192 C ASP A 15 -3.615 -6.205 0.426 1.00 0.00 C ATOM 193 O ASP A 15 -4.657 -6.815 0.604 1.00 0.00 O ATOM 194 CB ASP A 15 -1.418 -6.894 -0.597 1.00 0.00 C ATOM 195 CG ASP A 15 -1.287 -8.330 -1.117 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.288 -9.025 -1.164 1.00 0.00 O ATOM 197 OD2 ASP A 15 -0.186 -8.719 -1.454 1.00 0.00 O ATOM 198 H ASP A 15 -1.593 -4.685 -1.514 1.00 0.00 H ATOM 199 HA ASP A 15 -3.334 -6.947 -1.594 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.676 -6.272 -1.072 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.246 -6.881 0.471 1.00 0.00 H ATOM 202 N HIS A 16 -3.100 -5.439 1.347 1.00 0.00 N ATOM 203 CA HIS A 16 -3.760 -5.263 2.676 1.00 0.00 C ATOM 204 C HIS A 16 -4.447 -3.882 2.785 1.00 0.00 C ATOM 205 O HIS A 16 -5.390 -3.711 3.537 1.00 0.00 O ATOM 206 CB HIS A 16 -2.600 -5.386 3.677 1.00 0.00 C ATOM 207 CG HIS A 16 -1.644 -4.247 3.469 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.830 -2.994 4.013 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.509 -4.161 2.719 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.826 -2.216 3.572 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.005 -2.878 2.782 1.00 0.00 N ATOM 212 H HIS A 16 -2.252 -4.986 1.172 1.00 0.00 H ATOM 213 HA HIS A 16 -4.477 -6.048 2.847 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.976 -5.372 4.685 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.073 -6.312 3.501 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.558 -2.718 4.611 1.00 0.00 H ATOM 217 HD2 HIS A 16 -0.076 -4.971 2.153 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.726 -1.182 3.806 1.00 0.00 H ATOM 219 N ALA A 17 -3.984 -2.892 2.060 1.00 0.00 N ATOM 220 CA ALA A 17 -4.621 -1.540 2.157 1.00 0.00 C ATOM 221 C ALA A 17 -5.545 -1.274 0.951 1.00 0.00 C ATOM 222 O ALA A 17 -5.106 -0.969 -0.143 1.00 0.00 O ATOM 223 CB ALA A 17 -3.441 -0.562 2.186 1.00 0.00 C ATOM 224 H ALA A 17 -3.215 -3.035 1.463 1.00 0.00 H ATOM 225 HA ALA A 17 -5.174 -1.462 3.078 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.353 -0.082 1.219 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.533 -1.103 2.412 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.605 0.184 2.943 1.00 0.00 H ATOM 229 N ARG A 18 -6.831 -1.383 1.157 1.00 0.00 N ATOM 230 CA ARG A 18 -7.805 -1.144 0.042 1.00 0.00 C ATOM 231 C ARG A 18 -7.827 0.341 -0.389 1.00 0.00 C ATOM 232 O ARG A 18 -8.179 0.657 -1.507 1.00 0.00 O ATOM 233 CB ARG A 18 -9.172 -1.574 0.606 1.00 0.00 C ATOM 234 CG ARG A 18 -9.522 -0.741 1.848 1.00 0.00 C ATOM 235 CD ARG A 18 -10.276 -1.616 2.856 1.00 0.00 C ATOM 236 NE ARG A 18 -9.290 -1.899 3.953 1.00 0.00 N ATOM 237 CZ ARG A 18 -9.694 -2.402 5.075 1.00 0.00 C ATOM 238 NH1 ARG A 18 -10.520 -3.390 5.082 1.00 0.00 N ATOM 239 NH2 ARG A 18 -9.268 -1.913 6.194 1.00 0.00 N ATOM 240 H ARG A 18 -7.153 -1.629 2.047 1.00 0.00 H ATOM 241 HA ARG A 18 -7.554 -1.762 -0.802 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.932 -1.427 -0.148 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.133 -2.619 0.876 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.621 -0.360 2.305 1.00 0.00 H ATOM 245 HG3 ARG A 18 -10.152 0.089 1.559 1.00 0.00 H ATOM 246 HD2 ARG A 18 -11.136 -1.079 3.242 1.00 0.00 H ATOM 247 HD3 ARG A 18 -10.592 -2.541 2.391 1.00 0.00 H ATOM 248 HE ARG A 18 -8.338 -1.709 3.823 1.00 0.00 H ATOM 249 HH11 ARG A 18 -10.847 -3.773 4.219 1.00 0.00 H ATOM 250 HH12 ARG A 18 -10.837 -3.768 5.945 1.00 0.00 H ATOM 251 HH21 ARG A 18 -8.628 -1.150 6.193 1.00 0.00 H ATOM 252 HH22 ARG A 18 -9.582 -2.295 7.062 1.00 0.00 H ATOM 253 N CYS A 19 -7.462 1.250 0.490 1.00 0.00 N ATOM 254 CA CYS A 19 -7.469 2.718 0.136 1.00 0.00 C ATOM 255 C CYS A 19 -6.629 3.003 -1.122 1.00 0.00 C ATOM 256 O CYS A 19 -6.946 3.887 -1.895 1.00 0.00 O ATOM 257 CB CYS A 19 -6.879 3.432 1.366 1.00 0.00 C ATOM 258 SG CYS A 19 -6.142 5.015 0.877 1.00 0.00 S ATOM 259 H CYS A 19 -7.185 0.970 1.386 1.00 0.00 H ATOM 260 HA CYS A 19 -8.479 3.052 -0.021 1.00 0.00 H ATOM 261 HB2 CYS A 19 -7.665 3.614 2.084 1.00 0.00 H ATOM 262 HB3 CYS A 19 -6.122 2.809 1.818 1.00 0.00 H ATOM 263 N CYS A 20 -5.572 2.264 -1.342 1.00 0.00 N ATOM 264 CA CYS A 20 -4.738 2.508 -2.566 1.00 0.00 C ATOM 265 C CYS A 20 -5.357 1.816 -3.785 1.00 0.00 C ATOM 266 O CYS A 20 -5.212 0.625 -3.969 1.00 0.00 O ATOM 267 CB CYS A 20 -3.357 1.920 -2.260 1.00 0.00 C ATOM 268 SG CYS A 20 -2.084 3.147 -2.662 1.00 0.00 S ATOM 269 H CYS A 20 -5.336 1.549 -0.715 1.00 0.00 H ATOM 270 HA CYS A 20 -4.650 3.568 -2.751 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.296 1.669 -1.208 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.202 1.031 -2.850 1.00 0.00 H HETATM 273 N NH2 A 21 -6.055 2.512 -4.633 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -6.457 2.073 -5.412 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.180 3.472 -4.495 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 13 HETATM 1 N PCA A 1 5.136 6.369 6.822 1.00 0.00 N HETATM 2 CA PCA A 1 4.085 7.322 6.281 1.00 0.00 C HETATM 3 CB PCA A 1 4.793 8.083 5.146 1.00 0.00 C HETATM 4 CG PCA A 1 6.249 7.693 5.224 1.00 0.00 C HETATM 5 CD PCA A 1 6.315 6.716 6.374 1.00 0.00 C HETATM 6 OE PCA A 1 7.336 6.605 7.022 1.00 0.00 O HETATM 7 C PCA A 1 2.863 6.555 5.744 1.00 0.00 C HETATM 8 O PCA A 1 2.873 5.338 5.641 1.00 0.00 O HETATM 9 H1 PCA A 1 5.156 6.412 7.854 1.00 0.00 H HETATM 10 H2 PCA A 1 4.913 5.396 6.513 1.00 0.00 H HETATM 11 HA PCA A 1 3.784 8.015 7.051 1.00 0.00 H HETATM 12 HB2 PCA A 1 4.691 9.147 5.289 1.00 0.00 H HETATM 13 HB3 PCA A 1 4.381 7.793 4.189 1.00 0.00 H HETATM 14 HG2 PCA A 1 6.862 8.557 5.434 1.00 0.00 H HETATM 15 HG3 PCA A 1 6.560 7.221 4.303 1.00 0.00 H ATOM 16 N ASN A 2 1.816 7.265 5.400 1.00 0.00 N ATOM 17 CA ASN A 2 0.575 6.611 4.863 1.00 0.00 C ATOM 18 C ASN A 2 0.856 5.912 3.522 1.00 0.00 C ATOM 19 O ASN A 2 1.432 6.488 2.619 1.00 0.00 O ATOM 20 CB ASN A 2 -0.412 7.764 4.664 1.00 0.00 C ATOM 21 CG ASN A 2 -1.161 8.033 5.971 1.00 0.00 C ATOM 22 OD1 ASN A 2 -2.268 7.580 6.142 1.00 0.00 O ATOM 23 ND2 ASN A 2 -0.621 8.763 6.902 1.00 0.00 N ATOM 24 H ASN A 2 1.848 8.240 5.496 1.00 0.00 H ATOM 25 HA ASN A 2 0.176 5.907 5.576 1.00 0.00 H ATOM 26 HB2 ASN A 2 0.123 8.650 4.358 1.00 0.00 H ATOM 27 HB3 ASN A 2 -1.122 7.492 3.899 1.00 0.00 H ATOM 28 HD21 ASN A 2 0.266 9.153 6.774 1.00 0.00 H ATOM 29 HD22 ASN A 2 -1.104 8.913 7.741 1.00 0.00 H ATOM 30 N CYS A 3 0.438 4.677 3.382 1.00 0.00 N ATOM 31 CA CYS A 3 0.673 3.932 2.091 1.00 0.00 C ATOM 32 C CYS A 3 0.016 4.662 0.909 1.00 0.00 C ATOM 33 O CYS A 3 0.510 4.634 -0.201 1.00 0.00 O ATOM 34 CB CYS A 3 0.034 2.549 2.286 1.00 0.00 C ATOM 35 SG CYS A 3 0.975 1.302 1.366 1.00 0.00 S ATOM 36 H CYS A 3 -0.031 4.243 4.122 1.00 0.00 H ATOM 37 HA CYS A 3 1.730 3.821 1.914 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.038 2.295 3.334 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.983 2.567 1.924 1.00 0.00 H ATOM 40 N CYS A 4 -1.090 5.325 1.134 1.00 0.00 N ATOM 41 CA CYS A 4 -1.764 6.058 0.010 1.00 0.00 C ATOM 42 C CYS A 4 -1.205 7.481 -0.153 1.00 0.00 C ATOM 43 O CYS A 4 -1.516 8.167 -1.103 1.00 0.00 O ATOM 44 CB CYS A 4 -3.244 6.114 0.389 1.00 0.00 C ATOM 45 SG CYS A 4 -4.148 4.832 -0.513 1.00 0.00 S ATOM 46 H CYS A 4 -1.473 5.344 2.036 1.00 0.00 H ATOM 47 HA CYS A 4 -1.638 5.511 -0.912 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.349 5.951 1.451 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.642 7.085 0.136 1.00 0.00 H ATOM 50 N ASN A 5 -0.364 7.920 0.743 1.00 0.00 N ATOM 51 CA ASN A 5 0.229 9.290 0.612 1.00 0.00 C ATOM 52 C ASN A 5 1.664 9.181 0.076 1.00 0.00 C ATOM 53 O ASN A 5 2.472 10.075 0.237 1.00 0.00 O ATOM 54 CB ASN A 5 0.205 9.872 2.034 1.00 0.00 C ATOM 55 CG ASN A 5 0.019 11.393 1.977 1.00 0.00 C ATOM 56 OD1 ASN A 5 -0.368 11.941 0.963 1.00 0.00 O ATOM 57 ND2 ASN A 5 0.278 12.108 3.030 1.00 0.00 N ATOM 58 H ASN A 5 -0.103 7.346 1.490 1.00 0.00 H ATOM 59 HA ASN A 5 -0.369 9.896 -0.048 1.00 0.00 H ATOM 60 HB2 ASN A 5 -0.613 9.436 2.583 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.135 9.644 2.534 1.00 0.00 H ATOM 62 HD21 ASN A 5 0.589 11.677 3.852 1.00 0.00 H ATOM 63 HD22 ASN A 5 0.163 13.078 2.998 1.00 0.00 H ATOM 64 N GLY A 6 1.966 8.081 -0.572 1.00 0.00 N ATOM 65 CA GLY A 6 3.332 7.872 -1.143 1.00 0.00 C ATOM 66 C GLY A 6 3.843 6.446 -0.851 1.00 0.00 C ATOM 67 O GLY A 6 5.033 6.239 -0.715 1.00 0.00 O ATOM 68 H GLY A 6 1.285 7.398 -0.686 1.00 0.00 H ATOM 69 HA2 GLY A 6 3.305 8.031 -2.211 1.00 0.00 H ATOM 70 HA3 GLY A 6 4.010 8.583 -0.700 1.00 0.00 H ATOM 71 N GLY A 7 2.975 5.456 -0.748 1.00 0.00 N ATOM 72 CA GLY A 7 3.473 4.064 -0.461 1.00 0.00 C ATOM 73 C GLY A 7 2.742 3.016 -1.318 1.00 0.00 C ATOM 74 O GLY A 7 2.685 1.860 -0.962 1.00 0.00 O ATOM 75 H GLY A 7 2.005 5.625 -0.849 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.530 4.013 -0.668 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.305 3.840 0.581 1.00 0.00 H ATOM 78 N CYS A 8 2.185 3.394 -2.444 1.00 0.00 N ATOM 79 CA CYS A 8 1.460 2.375 -3.289 1.00 0.00 C ATOM 80 C CYS A 8 2.279 1.959 -4.517 1.00 0.00 C ATOM 81 O CYS A 8 1.772 1.319 -5.418 1.00 0.00 O ATOM 82 CB CYS A 8 0.153 3.045 -3.710 1.00 0.00 C ATOM 83 SG CYS A 8 -1.213 1.879 -3.468 1.00 0.00 S ATOM 84 H CYS A 8 2.234 4.327 -2.731 1.00 0.00 H ATOM 85 HA CYS A 8 1.239 1.500 -2.697 1.00 0.00 H ATOM 86 HB2 CYS A 8 -0.004 3.922 -3.109 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.209 3.326 -4.752 1.00 0.00 H ATOM 88 N SER A 9 3.540 2.293 -4.549 1.00 0.00 N ATOM 89 CA SER A 9 4.403 1.881 -5.711 1.00 0.00 C ATOM 90 C SER A 9 4.575 0.352 -5.718 1.00 0.00 C ATOM 91 O SER A 9 4.736 -0.266 -6.751 1.00 0.00 O ATOM 92 CB SER A 9 5.756 2.554 -5.480 1.00 0.00 C ATOM 93 OG SER A 9 6.335 2.874 -6.744 1.00 0.00 O ATOM 94 H SER A 9 3.922 2.797 -3.805 1.00 0.00 H ATOM 95 HA SER A 9 3.974 2.216 -6.642 1.00 0.00 H ATOM 96 HB2 SER A 9 5.625 3.452 -4.906 1.00 0.00 H ATOM 97 HB3 SER A 9 6.405 1.883 -4.936 1.00 0.00 H ATOM 98 HG SER A 9 6.211 3.819 -6.901 1.00 0.00 H ATOM 99 N SER A 10 4.534 -0.256 -4.558 1.00 0.00 N ATOM 100 CA SER A 10 4.684 -1.743 -4.467 1.00 0.00 C ATOM 101 C SER A 10 3.314 -2.427 -4.455 1.00 0.00 C ATOM 102 O SER A 10 2.321 -1.856 -4.053 1.00 0.00 O ATOM 103 CB SER A 10 5.412 -2.000 -3.150 1.00 0.00 C ATOM 104 OG SER A 10 6.677 -2.588 -3.414 1.00 0.00 O ATOM 105 H SER A 10 4.399 0.272 -3.743 1.00 0.00 H ATOM 106 HA SER A 10 5.274 -2.113 -5.289 1.00 0.00 H ATOM 107 HB2 SER A 10 5.555 -1.067 -2.632 1.00 0.00 H ATOM 108 HB3 SER A 10 4.816 -2.665 -2.538 1.00 0.00 H ATOM 109 HG SER A 10 7.279 -2.332 -2.702 1.00 0.00 H ATOM 110 N LYS A 11 3.276 -3.647 -4.897 1.00 0.00 N ATOM 111 CA LYS A 11 1.985 -4.412 -4.943 1.00 0.00 C ATOM 112 C LYS A 11 1.441 -4.706 -3.528 1.00 0.00 C ATOM 113 O LYS A 11 0.247 -4.759 -3.315 1.00 0.00 O ATOM 114 CB LYS A 11 2.334 -5.717 -5.674 1.00 0.00 C ATOM 115 CG LYS A 11 1.081 -6.596 -5.796 1.00 0.00 C ATOM 116 CD LYS A 11 1.315 -7.927 -5.066 1.00 0.00 C ATOM 117 CE LYS A 11 1.498 -9.054 -6.090 1.00 0.00 C ATOM 118 NZ LYS A 11 2.059 -10.198 -5.314 1.00 0.00 N ATOM 119 H LYS A 11 4.106 -4.060 -5.209 1.00 0.00 H ATOM 120 HA LYS A 11 1.253 -3.862 -5.508 1.00 0.00 H ATOM 121 HB2 LYS A 11 2.712 -5.488 -6.659 1.00 0.00 H ATOM 122 HB3 LYS A 11 3.093 -6.253 -5.116 1.00 0.00 H ATOM 123 HG2 LYS A 11 0.238 -6.082 -5.352 1.00 0.00 H ATOM 124 HG3 LYS A 11 0.874 -6.786 -6.841 1.00 0.00 H ATOM 125 HD2 LYS A 11 2.201 -7.847 -4.458 1.00 0.00 H ATOM 126 HD3 LYS A 11 0.465 -8.151 -4.438 1.00 0.00 H ATOM 127 HE2 LYS A 11 0.542 -9.322 -6.521 1.00 0.00 H ATOM 128 HE3 LYS A 11 2.187 -8.752 -6.864 1.00 0.00 H ATOM 129 HZ1 LYS A 11 3.075 -10.051 -5.146 1.00 0.00 H ATOM 130 HZ2 LYS A 11 1.925 -11.082 -5.847 1.00 0.00 H ATOM 131 HZ3 LYS A 11 1.570 -10.278 -4.399 1.00 0.00 H ATOM 132 N TRP A 12 2.310 -4.906 -2.562 1.00 0.00 N ATOM 133 CA TRP A 12 1.844 -5.214 -1.163 1.00 0.00 C ATOM 134 C TRP A 12 0.847 -4.158 -0.658 1.00 0.00 C ATOM 135 O TRP A 12 -0.160 -4.492 -0.071 1.00 0.00 O ATOM 136 CB TRP A 12 3.127 -5.223 -0.316 1.00 0.00 C ATOM 137 CG TRP A 12 2.803 -5.531 1.118 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.877 -4.644 2.135 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.339 -6.783 1.713 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.512 -5.270 3.311 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.170 -6.586 3.101 1.00 0.00 C ATOM 142 CE3 TRP A 12 2.058 -8.053 1.191 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.739 -7.608 3.938 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.619 -9.083 2.037 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.460 -8.861 3.405 1.00 0.00 C ATOM 146 H TRP A 12 3.267 -4.864 -2.756 1.00 0.00 H ATOM 147 HA TRP A 12 1.388 -6.192 -1.132 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.800 -5.977 -0.702 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.603 -4.257 -0.377 1.00 0.00 H ATOM 150 HD1 TRP A 12 3.158 -3.609 2.042 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.485 -4.848 4.195 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.177 -8.237 0.137 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.618 -7.431 4.995 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.406 -10.051 1.630 1.00 0.00 H ATOM 155 HH2 TRP A 12 1.119 -9.654 4.048 1.00 0.00 H ATOM 156 N CYS A 13 1.112 -2.896 -0.883 1.00 0.00 N ATOM 157 CA CYS A 13 0.162 -1.826 -0.403 1.00 0.00 C ATOM 158 C CYS A 13 -1.286 -2.127 -0.817 1.00 0.00 C ATOM 159 O CYS A 13 -2.184 -2.071 -0.009 1.00 0.00 O ATOM 160 CB CYS A 13 0.641 -0.517 -1.037 1.00 0.00 C ATOM 161 SG CYS A 13 -0.190 0.876 -0.228 1.00 0.00 S ATOM 162 H CYS A 13 1.931 -2.651 -1.362 1.00 0.00 H ATOM 163 HA CYS A 13 0.216 -1.744 0.664 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.707 -0.424 -0.904 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.407 -0.517 -2.092 1.00 0.00 H ATOM 166 N ARG A 14 -1.520 -2.453 -2.058 1.00 0.00 N ATOM 167 CA ARG A 14 -2.919 -2.754 -2.496 1.00 0.00 C ATOM 168 C ARG A 14 -3.432 -4.071 -1.866 1.00 0.00 C ATOM 169 O ARG A 14 -4.624 -4.303 -1.788 1.00 0.00 O ATOM 170 CB ARG A 14 -2.834 -2.871 -4.017 1.00 0.00 C ATOM 171 CG ARG A 14 -4.230 -3.114 -4.598 1.00 0.00 C ATOM 172 CD ARG A 14 -5.073 -1.830 -4.544 1.00 0.00 C ATOM 173 NE ARG A 14 -5.847 -1.934 -3.270 1.00 0.00 N ATOM 174 CZ ARG A 14 -6.933 -2.640 -3.211 1.00 0.00 C ATOM 175 NH1 ARG A 14 -8.016 -2.228 -3.785 1.00 0.00 N ATOM 176 NH2 ARG A 14 -6.921 -3.765 -2.592 1.00 0.00 N ATOM 177 H ARG A 14 -0.781 -2.504 -2.699 1.00 0.00 H ATOM 178 HA ARG A 14 -3.575 -1.935 -2.230 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.427 -1.957 -4.426 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.190 -3.699 -4.280 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.133 -3.436 -5.627 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.723 -3.889 -4.032 1.00 0.00 H ATOM 183 HD2 ARG A 14 -4.432 -0.956 -4.538 1.00 0.00 H ATOM 184 HD3 ARG A 14 -5.749 -1.792 -5.385 1.00 0.00 H ATOM 185 HE ARG A 14 -5.521 -1.485 -2.460 1.00 0.00 H ATOM 186 HH11 ARG A 14 -8.023 -1.359 -4.277 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.849 -2.782 -3.733 1.00 0.00 H ATOM 188 HH21 ARG A 14 -6.072 -4.085 -2.154 1.00 0.00 H ATOM 189 HH22 ARG A 14 -7.750 -4.316 -2.540 1.00 0.00 H ATOM 190 N ASP A 15 -2.549 -4.920 -1.425 1.00 0.00 N ATOM 191 CA ASP A 15 -2.982 -6.213 -0.805 1.00 0.00 C ATOM 192 C ASP A 15 -3.603 -5.991 0.585 1.00 0.00 C ATOM 193 O ASP A 15 -4.748 -6.333 0.838 1.00 0.00 O ATOM 194 CB ASP A 15 -1.684 -7.004 -0.672 1.00 0.00 C ATOM 195 CG ASP A 15 -1.939 -8.461 -1.019 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.358 -9.191 -0.140 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.729 -8.828 -2.158 1.00 0.00 O ATOM 198 H ASP A 15 -1.593 -4.713 -1.498 1.00 0.00 H ATOM 199 HA ASP A 15 -3.669 -6.734 -1.445 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.943 -6.591 -1.342 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.327 -6.925 0.347 1.00 0.00 H ATOM 202 N HIS A 16 -2.835 -5.444 1.481 1.00 0.00 N ATOM 203 CA HIS A 16 -3.321 -5.203 2.878 1.00 0.00 C ATOM 204 C HIS A 16 -3.936 -3.794 3.022 1.00 0.00 C ATOM 205 O HIS A 16 -4.648 -3.519 3.971 1.00 0.00 O ATOM 206 CB HIS A 16 -2.051 -5.345 3.737 1.00 0.00 C ATOM 207 CG HIS A 16 -1.095 -4.254 3.365 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.295 -2.927 3.704 1.00 0.00 N ATOM 209 CD2 HIS A 16 0.041 -4.279 2.620 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.294 -2.221 3.151 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.552 -2.999 2.482 1.00 0.00 N ATOM 212 H HIS A 16 -1.916 -5.200 1.240 1.00 0.00 H ATOM 213 HA HIS A 16 -4.039 -5.955 3.157 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.301 -5.276 4.779 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.587 -6.306 3.540 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.036 -2.564 4.234 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.476 -5.169 2.191 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.205 -1.156 3.206 1.00 0.00 H ATOM 219 N ALA A 17 -3.654 -2.902 2.101 1.00 0.00 N ATOM 220 CA ALA A 17 -4.208 -1.513 2.190 1.00 0.00 C ATOM 221 C ALA A 17 -5.143 -1.214 0.995 1.00 0.00 C ATOM 222 O ALA A 17 -4.709 -0.969 -0.121 1.00 0.00 O ATOM 223 CB ALA A 17 -2.966 -0.614 2.174 1.00 0.00 C ATOM 224 H ALA A 17 -3.065 -3.143 1.351 1.00 0.00 H ATOM 225 HA ALA A 17 -4.742 -1.382 3.118 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.087 -1.220 1.998 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.873 -0.112 3.128 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.053 0.121 1.391 1.00 0.00 H ATOM 229 N ARG A 18 -6.428 -1.230 1.224 1.00 0.00 N ATOM 230 CA ARG A 18 -7.398 -0.953 0.112 1.00 0.00 C ATOM 231 C ARG A 18 -7.519 0.557 -0.187 1.00 0.00 C ATOM 232 O ARG A 18 -8.114 0.945 -1.171 1.00 0.00 O ATOM 233 CB ARG A 18 -8.732 -1.522 0.611 1.00 0.00 C ATOM 234 CG ARG A 18 -9.322 -0.636 1.717 1.00 0.00 C ATOM 235 CD ARG A 18 -9.694 -1.495 2.927 1.00 0.00 C ATOM 236 NE ARG A 18 -8.847 -0.962 4.038 1.00 0.00 N ATOM 237 CZ ARG A 18 -9.397 -0.418 5.078 1.00 0.00 C ATOM 238 NH1 ARG A 18 -10.111 0.650 4.951 1.00 0.00 N ATOM 239 NH2 ARG A 18 -9.218 -0.944 6.245 1.00 0.00 N ATOM 240 H ARG A 18 -6.759 -1.428 2.121 1.00 0.00 H ATOM 241 HA ARG A 18 -7.098 -1.484 -0.779 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.429 -1.569 -0.213 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.570 -2.517 0.998 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.597 0.108 2.014 1.00 0.00 H ATOM 245 HG3 ARG A 18 -10.209 -0.145 1.344 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.746 -1.381 3.156 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.458 -2.536 2.739 1.00 0.00 H ATOM 248 HE ARG A 18 -7.871 -1.023 3.979 1.00 0.00 H ATOM 249 HH11 ARG A 18 -10.242 1.058 4.050 1.00 0.00 H ATOM 250 HH12 ARG A 18 -10.529 1.071 5.752 1.00 0.00 H ATOM 251 HH21 ARG A 18 -8.658 -1.766 6.340 1.00 0.00 H ATOM 252 HH22 ARG A 18 -9.644 -0.534 7.050 1.00 0.00 H ATOM 253 N CYS A 19 -6.970 1.410 0.651 1.00 0.00 N ATOM 254 CA CYS A 19 -7.073 2.900 0.419 1.00 0.00 C ATOM 255 C CYS A 19 -6.728 3.297 -1.027 1.00 0.00 C ATOM 256 O CYS A 19 -7.271 4.252 -1.559 1.00 0.00 O ATOM 257 CB CYS A 19 -6.088 3.540 1.412 1.00 0.00 C ATOM 258 SG CYS A 19 -4.382 3.344 0.830 1.00 0.00 S ATOM 259 H CYS A 19 -6.502 1.075 1.443 1.00 0.00 H ATOM 260 HA CYS A 19 -8.073 3.232 0.650 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.314 4.592 1.511 1.00 0.00 H ATOM 262 HB3 CYS A 19 -6.194 3.065 2.375 1.00 0.00 H ATOM 263 N CYS A 20 -5.841 2.584 -1.673 1.00 0.00 N ATOM 264 CA CYS A 20 -5.479 2.939 -3.090 1.00 0.00 C ATOM 265 C CYS A 20 -6.617 2.566 -4.059 1.00 0.00 C ATOM 266 O CYS A 20 -6.701 3.087 -5.153 1.00 0.00 O ATOM 267 CB CYS A 20 -4.219 2.127 -3.417 1.00 0.00 C ATOM 268 SG CYS A 20 -2.750 3.022 -2.841 1.00 0.00 S ATOM 269 H CYS A 20 -5.418 1.821 -1.231 1.00 0.00 H ATOM 270 HA CYS A 20 -5.259 3.996 -3.169 1.00 0.00 H ATOM 271 HB2 CYS A 20 -4.268 1.165 -2.926 1.00 0.00 H ATOM 272 HB3 CYS A 20 -4.152 1.985 -4.483 1.00 0.00 H HETATM 273 N NH2 A 21 -7.508 1.676 -3.715 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -8.226 1.446 -4.338 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.462 1.241 -2.837 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 14 HETATM 1 N PCA A 1 3.759 9.168 7.835 1.00 0.00 N HETATM 2 CA PCA A 1 3.534 8.869 6.365 1.00 0.00 C HETATM 3 CB PCA A 1 4.889 8.358 5.844 1.00 0.00 C HETATM 4 CG PCA A 1 5.796 8.274 7.048 1.00 0.00 C HETATM 5 CD PCA A 1 4.944 8.768 8.194 1.00 0.00 C HETATM 6 OE PCA A 1 5.253 8.535 9.340 1.00 0.00 O HETATM 7 C PCA A 1 2.454 7.791 6.208 1.00 0.00 C HETATM 8 O PCA A 1 1.811 7.410 7.168 1.00 0.00 O HETATM 9 H1 PCA A 1 3.701 10.187 7.996 1.00 0.00 H HETATM 10 H2 PCA A 1 3.030 8.678 8.408 1.00 0.00 H HETATM 11 HA PCA A 1 3.249 9.765 5.836 1.00 0.00 H HETATM 12 HB2 PCA A 1 5.299 9.048 5.123 1.00 0.00 H HETATM 13 HB3 PCA A 1 4.766 7.381 5.399 1.00 0.00 H HETATM 14 HG2 PCA A 1 6.653 8.917 6.923 1.00 0.00 H HETATM 15 HG3 PCA A 1 6.107 7.251 7.213 1.00 0.00 H ATOM 16 N ASN A 2 2.246 7.302 5.008 1.00 0.00 N ATOM 17 CA ASN A 2 1.201 6.243 4.777 1.00 0.00 C ATOM 18 C ASN A 2 1.322 5.642 3.358 1.00 0.00 C ATOM 19 O ASN A 2 1.737 6.306 2.428 1.00 0.00 O ATOM 20 CB ASN A 2 -0.139 6.973 4.940 1.00 0.00 C ATOM 21 CG ASN A 2 -1.195 5.996 5.455 1.00 0.00 C ATOM 22 OD1 ASN A 2 -1.554 5.058 4.770 1.00 0.00 O ATOM 23 ND2 ASN A 2 -1.707 6.162 6.634 1.00 0.00 N ATOM 24 H ASN A 2 2.778 7.631 4.254 1.00 0.00 H ATOM 25 HA ASN A 2 1.286 5.465 5.519 1.00 0.00 H ATOM 26 HB2 ASN A 2 -0.021 7.781 5.649 1.00 0.00 H ATOM 27 HB3 ASN A 2 -0.457 7.373 3.989 1.00 0.00 H ATOM 28 HD21 ASN A 2 -1.419 6.913 7.193 1.00 0.00 H ATOM 29 HD22 ASN A 2 -2.379 5.536 6.968 1.00 0.00 H ATOM 30 N CYS A 3 0.946 4.395 3.185 1.00 0.00 N ATOM 31 CA CYS A 3 1.026 3.747 1.825 1.00 0.00 C ATOM 32 C CYS A 3 0.326 4.613 0.767 1.00 0.00 C ATOM 33 O CYS A 3 0.787 4.749 -0.348 1.00 0.00 O ATOM 34 CB CYS A 3 0.302 2.403 1.970 1.00 0.00 C ATOM 35 SG CYS A 3 1.186 1.132 1.028 1.00 0.00 S ATOM 36 H CYS A 3 0.600 3.886 3.946 1.00 0.00 H ATOM 37 HA CYS A 3 2.052 3.581 1.547 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.272 2.123 3.012 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.705 2.496 1.594 1.00 0.00 H ATOM 40 N CYS A 4 -0.790 5.201 1.115 1.00 0.00 N ATOM 41 CA CYS A 4 -1.531 6.065 0.131 1.00 0.00 C ATOM 42 C CYS A 4 -1.076 7.532 0.180 1.00 0.00 C ATOM 43 O CYS A 4 -1.563 8.361 -0.564 1.00 0.00 O ATOM 44 CB CYS A 4 -2.993 5.976 0.541 1.00 0.00 C ATOM 45 SG CYS A 4 -3.751 4.564 -0.293 1.00 0.00 S ATOM 46 H CYS A 4 -1.142 5.069 2.018 1.00 0.00 H ATOM 47 HA CYS A 4 -1.402 5.675 -0.866 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.059 5.851 1.613 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.498 6.884 0.251 1.00 0.00 H ATOM 50 N ASN A 5 -0.138 7.850 1.028 1.00 0.00 N ATOM 51 CA ASN A 5 0.378 9.254 1.104 1.00 0.00 C ATOM 52 C ASN A 5 1.655 9.365 0.254 1.00 0.00 C ATOM 53 O ASN A 5 2.487 10.228 0.457 1.00 0.00 O ATOM 54 CB ASN A 5 0.679 9.493 2.589 1.00 0.00 C ATOM 55 CG ASN A 5 -0.606 9.909 3.300 1.00 0.00 C ATOM 56 OD1 ASN A 5 -1.641 9.309 3.103 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.589 10.913 4.128 1.00 0.00 N ATOM 58 H ASN A 5 0.245 7.162 1.596 1.00 0.00 H ATOM 59 HA ASN A 5 -0.365 9.951 0.754 1.00 0.00 H ATOM 60 HB2 ASN A 5 1.059 8.583 3.034 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.413 10.276 2.689 1.00 0.00 H ATOM 62 HD21 ASN A 5 0.243 11.399 4.297 1.00 0.00 H ATOM 63 HD22 ASN A 5 -1.413 11.180 4.585 1.00 0.00 H ATOM 64 N GLY A 6 1.801 8.477 -0.699 1.00 0.00 N ATOM 65 CA GLY A 6 3.007 8.488 -1.582 1.00 0.00 C ATOM 66 C GLY A 6 3.848 7.225 -1.351 1.00 0.00 C ATOM 67 O GLY A 6 5.058 7.256 -1.472 1.00 0.00 O ATOM 68 H GLY A 6 1.113 7.800 -0.828 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.697 8.534 -2.617 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.604 9.351 -1.350 1.00 0.00 H ATOM 71 N GLY A 7 3.223 6.113 -1.024 1.00 0.00 N ATOM 72 CA GLY A 7 4.005 4.856 -0.781 1.00 0.00 C ATOM 73 C GLY A 7 3.222 3.626 -1.247 1.00 0.00 C ATOM 74 O GLY A 7 3.115 2.648 -0.539 1.00 0.00 O ATOM 75 H GLY A 7 2.240 6.107 -0.936 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.938 4.904 -1.321 1.00 0.00 H ATOM 77 HA3 GLY A 7 4.209 4.761 0.272 1.00 0.00 H ATOM 78 N CYS A 8 2.680 3.667 -2.433 1.00 0.00 N ATOM 79 CA CYS A 8 1.903 2.495 -2.962 1.00 0.00 C ATOM 80 C CYS A 8 2.606 1.883 -4.182 1.00 0.00 C ATOM 81 O CYS A 8 1.986 1.269 -5.029 1.00 0.00 O ATOM 82 CB CYS A 8 0.555 3.074 -3.359 1.00 0.00 C ATOM 83 SG CYS A 8 -0.764 2.074 -2.622 1.00 0.00 S ATOM 84 H CYS A 8 2.782 4.468 -2.983 1.00 0.00 H ATOM 85 HA CYS A 8 1.772 1.748 -2.195 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.494 4.086 -2.998 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.464 3.069 -4.433 1.00 0.00 H ATOM 88 N SER A 9 3.893 2.051 -4.269 1.00 0.00 N ATOM 89 CA SER A 9 4.665 1.483 -5.424 1.00 0.00 C ATOM 90 C SER A 9 4.689 -0.054 -5.360 1.00 0.00 C ATOM 91 O SER A 9 4.741 -0.729 -6.377 1.00 0.00 O ATOM 92 CB SER A 9 6.075 2.043 -5.261 1.00 0.00 C ATOM 93 OG SER A 9 6.582 2.395 -6.545 1.00 0.00 O ATOM 94 H SER A 9 4.358 2.553 -3.573 1.00 0.00 H ATOM 95 HA SER A 9 4.245 1.812 -6.359 1.00 0.00 H ATOM 96 HB2 SER A 9 6.047 2.918 -4.633 1.00 0.00 H ATOM 97 HB3 SER A 9 6.708 1.295 -4.801 1.00 0.00 H ATOM 98 HG SER A 9 7.346 2.969 -6.416 1.00 0.00 H ATOM 99 N SER A 10 4.652 -0.614 -4.175 1.00 0.00 N ATOM 100 CA SER A 10 4.671 -2.105 -4.041 1.00 0.00 C ATOM 101 C SER A 10 3.262 -2.677 -4.221 1.00 0.00 C ATOM 102 O SER A 10 2.318 -2.270 -3.567 1.00 0.00 O ATOM 103 CB SER A 10 5.189 -2.405 -2.632 1.00 0.00 C ATOM 104 OG SER A 10 5.222 -1.211 -1.848 1.00 0.00 O ATOM 105 H SER A 10 4.611 -0.056 -3.368 1.00 0.00 H ATOM 106 HA SER A 10 5.337 -2.534 -4.771 1.00 0.00 H ATOM 107 HB2 SER A 10 4.533 -3.115 -2.158 1.00 0.00 H ATOM 108 HB3 SER A 10 6.180 -2.828 -2.705 1.00 0.00 H ATOM 109 HG SER A 10 6.145 -1.021 -1.630 1.00 0.00 H ATOM 110 N LYS A 11 3.123 -3.625 -5.108 1.00 0.00 N ATOM 111 CA LYS A 11 1.782 -4.253 -5.368 1.00 0.00 C ATOM 112 C LYS A 11 1.117 -4.745 -4.066 1.00 0.00 C ATOM 113 O LYS A 11 -0.087 -4.661 -3.912 1.00 0.00 O ATOM 114 CB LYS A 11 2.055 -5.418 -6.337 1.00 0.00 C ATOM 115 CG LYS A 11 3.120 -6.369 -5.768 1.00 0.00 C ATOM 116 CD LYS A 11 3.690 -7.237 -6.900 1.00 0.00 C ATOM 117 CE LYS A 11 4.801 -6.477 -7.640 1.00 0.00 C ATOM 118 NZ LYS A 11 5.700 -7.542 -8.185 1.00 0.00 N ATOM 119 H LYS A 11 3.907 -3.923 -5.610 1.00 0.00 H ATOM 120 HA LYS A 11 1.136 -3.537 -5.851 1.00 0.00 H ATOM 121 HB2 LYS A 11 1.137 -5.966 -6.496 1.00 0.00 H ATOM 122 HB3 LYS A 11 2.398 -5.019 -7.280 1.00 0.00 H ATOM 123 HG2 LYS A 11 3.915 -5.796 -5.315 1.00 0.00 H ATOM 124 HG3 LYS A 11 2.668 -7.008 -5.023 1.00 0.00 H ATOM 125 HD2 LYS A 11 4.094 -8.147 -6.483 1.00 0.00 H ATOM 126 HD3 LYS A 11 2.901 -7.481 -7.596 1.00 0.00 H ATOM 127 HE2 LYS A 11 4.377 -5.885 -8.443 1.00 0.00 H ATOM 128 HE3 LYS A 11 5.346 -5.843 -6.953 1.00 0.00 H ATOM 129 HZ1 LYS A 11 5.132 -8.303 -8.611 1.00 0.00 H ATOM 130 HZ2 LYS A 11 6.285 -7.937 -7.421 1.00 0.00 H ATOM 131 HZ3 LYS A 11 6.324 -7.132 -8.912 1.00 0.00 H ATOM 132 N TRP A 12 1.883 -5.250 -3.130 1.00 0.00 N ATOM 133 CA TRP A 12 1.283 -5.743 -1.842 1.00 0.00 C ATOM 134 C TRP A 12 0.452 -4.652 -1.150 1.00 0.00 C ATOM 135 O TRP A 12 -0.537 -4.943 -0.506 1.00 0.00 O ATOM 136 CB TRP A 12 2.477 -6.143 -0.974 1.00 0.00 C ATOM 137 CG TRP A 12 1.999 -6.588 0.377 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.172 -5.898 1.529 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.262 -7.799 0.734 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.629 -6.631 2.571 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.048 -7.801 2.131 1.00 0.00 C ATOM 142 CE3 TRP A 12 0.774 -8.886 -0.012 1.00 0.00 C ATOM 143 CZ2 TRP A 12 0.376 -8.842 2.772 1.00 0.00 C ATOM 144 CZ3 TRP A 12 0.088 -9.938 0.626 1.00 0.00 C ATOM 145 CH2 TRP A 12 -0.105 -9.916 2.018 1.00 0.00 C ATOM 146 H TRP A 12 2.848 -5.307 -3.270 1.00 0.00 H ATOM 147 HA TRP A 12 0.666 -6.604 -2.027 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.011 -6.952 -1.446 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.136 -5.294 -0.859 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.670 -4.939 1.626 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.637 -6.361 3.512 1.00 0.00 H ATOM 152 HE3 TRP A 12 0.913 -8.906 -1.082 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.230 -8.818 3.844 1.00 0.00 H ATOM 154 HZ3 TRP A 12 -0.288 -10.769 0.043 1.00 0.00 H ATOM 155 HH2 TRP A 12 -0.631 -10.723 2.504 1.00 0.00 H ATOM 156 N CYS A 13 0.832 -3.404 -1.272 1.00 0.00 N ATOM 157 CA CYS A 13 0.031 -2.325 -0.604 1.00 0.00 C ATOM 158 C CYS A 13 -1.443 -2.436 -1.013 1.00 0.00 C ATOM 159 O CYS A 13 -2.327 -2.325 -0.197 1.00 0.00 O ATOM 160 CB CYS A 13 0.627 -0.993 -1.071 1.00 0.00 C ATOM 161 SG CYS A 13 -0.211 0.368 -0.212 1.00 0.00 S ATOM 162 H CYS A 13 1.632 -3.181 -1.799 1.00 0.00 H ATOM 163 HA CYS A 13 0.117 -2.413 0.464 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.683 -0.969 -0.846 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.482 -0.890 -2.135 1.00 0.00 H ATOM 166 N ARG A 14 -1.714 -2.680 -2.263 1.00 0.00 N ATOM 167 CA ARG A 14 -3.142 -2.818 -2.705 1.00 0.00 C ATOM 168 C ARG A 14 -3.765 -4.124 -2.160 1.00 0.00 C ATOM 169 O ARG A 14 -4.975 -4.259 -2.095 1.00 0.00 O ATOM 170 CB ARG A 14 -3.081 -2.844 -4.238 1.00 0.00 C ATOM 171 CG ARG A 14 -4.275 -2.077 -4.820 1.00 0.00 C ATOM 172 CD ARG A 14 -5.405 -3.053 -5.142 1.00 0.00 C ATOM 173 NE ARG A 14 -6.286 -3.025 -3.938 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.508 -2.622 -4.031 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.772 -1.365 -3.960 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.458 -3.478 -4.192 1.00 0.00 N ATOM 177 H ARG A 14 -0.985 -2.788 -2.908 1.00 0.00 H ATOM 178 HA ARG A 14 -3.718 -1.968 -2.375 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.164 -2.381 -4.570 1.00 0.00 H ATOM 180 HB3 ARG A 14 -3.111 -3.868 -4.582 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.620 -1.350 -4.102 1.00 0.00 H ATOM 182 HG3 ARG A 14 -3.970 -1.573 -5.726 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.945 -2.724 -6.024 1.00 0.00 H ATOM 184 HD3 ARG A 14 -5.011 -4.047 -5.291 1.00 0.00 H ATOM 185 HE ARG A 14 -5.937 -3.324 -3.063 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.026 -0.703 -3.833 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.710 -1.049 -4.027 1.00 0.00 H ATOM 188 HH21 ARG A 14 -8.244 -4.453 -4.241 1.00 0.00 H ATOM 189 HH22 ARG A 14 -9.401 -3.172 -4.273 1.00 0.00 H ATOM 190 N ASP A 15 -2.951 -5.080 -1.777 1.00 0.00 N ATOM 191 CA ASP A 15 -3.473 -6.371 -1.247 1.00 0.00 C ATOM 192 C ASP A 15 -4.054 -6.193 0.166 1.00 0.00 C ATOM 193 O ASP A 15 -5.221 -6.454 0.415 1.00 0.00 O ATOM 194 CB ASP A 15 -2.225 -7.266 -1.203 1.00 0.00 C ATOM 195 CG ASP A 15 -2.472 -8.553 -1.986 1.00 0.00 C ATOM 196 OD1 ASP A 15 -3.522 -9.142 -1.811 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.612 -8.918 -2.764 1.00 0.00 O ATOM 198 H ASP A 15 -1.983 -4.950 -1.838 1.00 0.00 H ATOM 199 HA ASP A 15 -4.212 -6.791 -1.910 1.00 0.00 H ATOM 200 HB2 ASP A 15 -1.387 -6.734 -1.637 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.992 -7.503 -0.179 1.00 0.00 H ATOM 202 N HIS A 16 -3.235 -5.770 1.090 1.00 0.00 N ATOM 203 CA HIS A 16 -3.697 -5.587 2.506 1.00 0.00 C ATOM 204 C HIS A 16 -4.109 -4.130 2.808 1.00 0.00 C ATOM 205 O HIS A 16 -4.681 -3.845 3.847 1.00 0.00 O ATOM 206 CB HIS A 16 -2.490 -6.010 3.350 1.00 0.00 C ATOM 207 CG HIS A 16 -1.338 -5.045 3.181 1.00 0.00 C ATOM 208 ND1 HIS A 16 -0.279 -5.013 4.061 1.00 0.00 N ATOM 209 CD2 HIS A 16 -1.047 -4.105 2.225 1.00 0.00 C ATOM 210 CE1 HIS A 16 0.592 -4.091 3.618 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.170 -3.507 2.501 1.00 0.00 N ATOM 212 H HIS A 16 -2.298 -5.592 0.852 1.00 0.00 H ATOM 213 HA HIS A 16 -4.527 -6.247 2.712 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.782 -6.042 4.387 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.174 -6.993 3.035 1.00 0.00 H ATOM 216 HD1 HIS A 16 -0.180 -5.562 4.863 1.00 0.00 H ATOM 217 HD2 HIS A 16 -1.662 -3.878 1.377 1.00 0.00 H ATOM 218 HE1 HIS A 16 1.538 -3.885 4.081 1.00 0.00 H ATOM 219 N ALA A 17 -3.832 -3.215 1.923 1.00 0.00 N ATOM 220 CA ALA A 17 -4.209 -1.794 2.173 1.00 0.00 C ATOM 221 C ALA A 17 -5.283 -1.337 1.167 1.00 0.00 C ATOM 222 O ALA A 17 -5.010 -1.060 0.012 1.00 0.00 O ATOM 223 CB ALA A 17 -2.897 -1.021 2.010 1.00 0.00 C ATOM 224 H ALA A 17 -3.375 -3.460 1.096 1.00 0.00 H ATOM 225 HA ALA A 17 -4.577 -1.683 3.183 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.063 -1.704 2.116 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.835 -0.258 2.768 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.862 -0.565 1.033 1.00 0.00 H ATOM 229 N ARG A 18 -6.510 -1.261 1.610 1.00 0.00 N ATOM 230 CA ARG A 18 -7.628 -0.837 0.701 1.00 0.00 C ATOM 231 C ARG A 18 -7.572 0.669 0.365 1.00 0.00 C ATOM 232 O ARG A 18 -8.227 1.121 -0.553 1.00 0.00 O ATOM 233 CB ARG A 18 -8.915 -1.178 1.470 1.00 0.00 C ATOM 234 CG ARG A 18 -8.975 -0.391 2.788 1.00 0.00 C ATOM 235 CD ARG A 18 -9.517 -1.296 3.897 1.00 0.00 C ATOM 236 NE ARG A 18 -8.364 -1.504 4.832 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.431 -1.070 6.048 1.00 0.00 C ATOM 238 NH1 ARG A 18 -9.170 -1.677 6.906 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.748 -0.035 6.400 1.00 0.00 N ATOM 240 H ARG A 18 -6.700 -1.493 2.539 1.00 0.00 H ATOM 241 HA ARG A 18 -7.596 -1.412 -0.210 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.770 -0.921 0.861 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.936 -2.240 1.685 1.00 0.00 H ATOM 244 HG2 ARG A 18 -7.986 -0.044 3.051 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.633 0.458 2.668 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.340 -0.806 4.404 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.839 -2.243 3.487 1.00 0.00 H ATOM 248 HE ARG A 18 -7.560 -1.973 4.525 1.00 0.00 H ATOM 249 HH11 ARG A 18 -9.697 -2.478 6.627 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.215 -1.354 7.846 1.00 0.00 H ATOM 251 HH21 ARG A 18 -7.176 0.432 5.730 1.00 0.00 H ATOM 252 HH22 ARG A 18 -7.790 0.298 7.339 1.00 0.00 H ATOM 253 N CYS A 19 -6.797 1.448 1.083 1.00 0.00 N ATOM 254 CA CYS A 19 -6.720 2.920 0.775 1.00 0.00 C ATOM 255 C CYS A 19 -6.276 3.172 -0.678 1.00 0.00 C ATOM 256 O CYS A 19 -6.590 4.193 -1.256 1.00 0.00 O ATOM 257 CB CYS A 19 -5.694 3.492 1.762 1.00 0.00 C ATOM 258 SG CYS A 19 -4.006 3.197 1.168 1.00 0.00 S ATOM 259 H CYS A 19 -6.267 1.069 1.813 1.00 0.00 H ATOM 260 HA CYS A 19 -7.676 3.384 0.947 1.00 0.00 H ATOM 261 HB2 CYS A 19 -5.857 4.553 1.860 1.00 0.00 H ATOM 262 HB3 CYS A 19 -5.823 3.022 2.728 1.00 0.00 H ATOM 263 N CYS A 20 -5.554 2.248 -1.270 1.00 0.00 N ATOM 264 CA CYS A 20 -5.096 2.433 -2.690 1.00 0.00 C ATOM 265 C CYS A 20 -6.113 1.818 -3.660 1.00 0.00 C ATOM 266 O CYS A 20 -6.173 0.616 -3.825 1.00 0.00 O ATOM 267 CB CYS A 20 -3.750 1.704 -2.786 1.00 0.00 C ATOM 268 SG CYS A 20 -2.471 2.859 -3.352 1.00 0.00 S ATOM 269 H CYS A 20 -5.321 1.431 -0.783 1.00 0.00 H ATOM 270 HA CYS A 20 -4.959 3.481 -2.906 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.479 1.319 -1.813 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.830 0.883 -3.484 1.00 0.00 H HETATM 273 N NH2 A 21 -6.927 2.593 -4.311 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.582 2.205 -4.925 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.887 3.565 -4.188 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 15 HETATM 1 N PCA A 1 4.499 9.651 5.479 1.00 0.00 N HETATM 2 CA PCA A 1 5.093 8.250 5.444 1.00 0.00 C HETATM 3 CB PCA A 1 6.036 8.190 6.664 1.00 0.00 C HETATM 4 CG PCA A 1 6.059 9.576 7.253 1.00 0.00 C HETATM 5 CD PCA A 1 5.102 10.367 6.387 1.00 0.00 C HETATM 6 OE PCA A 1 5.114 11.581 6.394 1.00 0.00 O HETATM 7 C PCA A 1 3.989 7.179 5.553 1.00 0.00 C HETATM 8 O PCA A 1 3.996 6.348 6.444 1.00 0.00 O HETATM 9 H1 PCA A 1 4.639 10.113 4.563 1.00 0.00 H HETATM 10 H2 PCA A 1 3.476 9.593 5.694 1.00 0.00 H HETATM 11 HA PCA A 1 5.660 8.111 4.540 1.00 0.00 H HETATM 12 HB2 PCA A 1 7.029 7.912 6.351 1.00 0.00 H HETATM 13 HB3 PCA A 1 5.661 7.483 7.390 1.00 0.00 H HETATM 14 HG2 PCA A 1 7.048 9.996 7.188 1.00 0.00 H HETATM 15 HG3 PCA A 1 5.719 9.549 8.281 1.00 0.00 H ATOM 16 N ASN A 2 3.033 7.189 4.651 1.00 0.00 N ATOM 17 CA ASN A 2 1.924 6.177 4.707 1.00 0.00 C ATOM 18 C ASN A 2 1.642 5.610 3.305 1.00 0.00 C ATOM 19 O ASN A 2 1.881 6.259 2.304 1.00 0.00 O ATOM 20 CB ASN A 2 0.697 6.945 5.241 1.00 0.00 C ATOM 21 CG ASN A 2 1.103 7.888 6.379 1.00 0.00 C ATOM 22 OD1 ASN A 2 1.622 8.957 6.139 1.00 0.00 O ATOM 23 ND2 ASN A 2 0.883 7.542 7.606 1.00 0.00 N ATOM 24 H ASN A 2 3.044 7.861 3.939 1.00 0.00 H ATOM 25 HA ASN A 2 2.178 5.376 5.385 1.00 0.00 H ATOM 26 HB2 ASN A 2 0.263 7.527 4.445 1.00 0.00 H ATOM 27 HB3 ASN A 2 -0.035 6.242 5.610 1.00 0.00 H ATOM 28 HD21 ASN A 2 0.458 6.683 7.804 1.00 0.00 H ATOM 29 HD22 ASN A 2 1.139 8.143 8.333 1.00 0.00 H ATOM 30 N CYS A 3 1.132 4.406 3.226 1.00 0.00 N ATOM 31 CA CYS A 3 0.836 3.785 1.889 1.00 0.00 C ATOM 32 C CYS A 3 0.001 4.721 1.001 1.00 0.00 C ATOM 33 O CYS A 3 0.250 4.851 -0.178 1.00 0.00 O ATOM 34 CB CYS A 3 0.054 2.507 2.207 1.00 0.00 C ATOM 35 SG CYS A 3 -0.341 1.637 0.669 1.00 0.00 S ATOM 36 H CYS A 3 0.943 3.907 4.046 1.00 0.00 H ATOM 37 HA CYS A 3 1.753 3.530 1.389 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.654 1.866 2.839 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.862 2.761 2.723 1.00 0.00 H ATOM 40 N CYS A 4 -0.990 5.368 1.555 1.00 0.00 N ATOM 41 CA CYS A 4 -1.846 6.282 0.727 1.00 0.00 C ATOM 42 C CYS A 4 -1.275 7.707 0.649 1.00 0.00 C ATOM 43 O CYS A 4 -1.729 8.510 -0.134 1.00 0.00 O ATOM 44 CB CYS A 4 -3.201 6.303 1.426 1.00 0.00 C ATOM 45 SG CYS A 4 -4.006 4.692 1.237 1.00 0.00 S ATOM 46 H CYS A 4 -1.179 5.246 2.508 1.00 0.00 H ATOM 47 HA CYS A 4 -1.948 5.881 -0.269 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.055 6.515 2.476 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.813 7.069 0.985 1.00 0.00 H ATOM 50 N ASN A 5 -0.272 8.022 1.425 1.00 0.00 N ATOM 51 CA ASN A 5 0.332 9.399 1.349 1.00 0.00 C ATOM 52 C ASN A 5 1.508 9.385 0.359 1.00 0.00 C ATOM 53 O ASN A 5 2.397 10.217 0.402 1.00 0.00 O ATOM 54 CB ASN A 5 0.812 9.721 2.773 1.00 0.00 C ATOM 55 CG ASN A 5 -0.203 10.625 3.481 1.00 0.00 C ATOM 56 OD1 ASN A 5 -1.021 11.262 2.848 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.185 10.713 4.774 1.00 0.00 N ATOM 58 H ASN A 5 0.100 7.355 2.030 1.00 0.00 H ATOM 59 HA ASN A 5 -0.409 10.117 1.032 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.922 8.805 3.332 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.765 10.227 2.726 1.00 0.00 H ATOM 62 HD21 ASN A 5 0.476 10.208 5.291 1.00 0.00 H ATOM 63 HD22 ASN A 5 -0.835 11.284 5.234 1.00 0.00 H ATOM 64 N GLY A 6 1.508 8.423 -0.524 1.00 0.00 N ATOM 65 CA GLY A 6 2.605 8.290 -1.528 1.00 0.00 C ATOM 66 C GLY A 6 3.362 6.980 -1.281 1.00 0.00 C ATOM 67 O GLY A 6 4.558 6.902 -1.484 1.00 0.00 O ATOM 68 H GLY A 6 0.782 7.774 -0.517 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.189 8.283 -2.525 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.284 9.115 -1.426 1.00 0.00 H ATOM 71 N GLY A 7 2.681 5.947 -0.838 1.00 0.00 N ATOM 72 CA GLY A 7 3.379 4.646 -0.573 1.00 0.00 C ATOM 73 C GLY A 7 2.665 3.501 -1.291 1.00 0.00 C ATOM 74 O GLY A 7 2.497 2.432 -0.748 1.00 0.00 O ATOM 75 H GLY A 7 1.708 6.026 -0.678 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.398 4.708 -0.925 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.380 4.453 0.486 1.00 0.00 H ATOM 78 N CYS A 8 2.257 3.716 -2.511 1.00 0.00 N ATOM 79 CA CYS A 8 1.555 2.631 -3.280 1.00 0.00 C ATOM 80 C CYS A 8 2.496 2.003 -4.318 1.00 0.00 C ATOM 81 O CYS A 8 2.076 1.271 -5.188 1.00 0.00 O ATOM 82 CB CYS A 8 0.380 3.324 -3.972 1.00 0.00 C ATOM 83 SG CYS A 8 -1.110 2.311 -3.782 1.00 0.00 S ATOM 84 H CYS A 8 2.413 4.590 -2.928 1.00 0.00 H ATOM 85 HA CYS A 8 1.189 1.873 -2.608 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.222 4.291 -3.524 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.597 3.448 -5.023 1.00 0.00 H ATOM 88 N SER A 9 3.769 2.275 -4.225 1.00 0.00 N ATOM 89 CA SER A 9 4.741 1.684 -5.201 1.00 0.00 C ATOM 90 C SER A 9 4.887 0.175 -4.972 1.00 0.00 C ATOM 91 O SER A 9 5.233 -0.568 -5.875 1.00 0.00 O ATOM 92 CB SER A 9 6.060 2.397 -4.920 1.00 0.00 C ATOM 93 OG SER A 9 6.667 2.761 -6.160 1.00 0.00 O ATOM 94 H SER A 9 4.089 2.860 -3.508 1.00 0.00 H ATOM 95 HA SER A 9 4.426 1.880 -6.211 1.00 0.00 H ATOM 96 HB2 SER A 9 5.871 3.284 -4.335 1.00 0.00 H ATOM 97 HB3 SER A 9 6.711 1.737 -4.362 1.00 0.00 H ATOM 98 HG SER A 9 6.035 3.298 -6.652 1.00 0.00 H ATOM 99 N SER A 10 4.622 -0.282 -3.773 1.00 0.00 N ATOM 100 CA SER A 10 4.734 -1.741 -3.475 1.00 0.00 C ATOM 101 C SER A 10 3.409 -2.447 -3.783 1.00 0.00 C ATOM 102 O SER A 10 2.349 -2.015 -3.374 1.00 0.00 O ATOM 103 CB SER A 10 5.058 -1.847 -1.979 1.00 0.00 C ATOM 104 OG SER A 10 4.710 -0.637 -1.306 1.00 0.00 O ATOM 105 H SER A 10 4.344 0.332 -3.065 1.00 0.00 H ATOM 106 HA SER A 10 5.532 -2.179 -4.055 1.00 0.00 H ATOM 107 HB2 SER A 10 4.493 -2.655 -1.554 1.00 0.00 H ATOM 108 HB3 SER A 10 6.115 -2.049 -1.858 1.00 0.00 H ATOM 109 HG SER A 10 5.509 -0.272 -0.901 1.00 0.00 H ATOM 110 N LYS A 11 3.466 -3.532 -4.503 1.00 0.00 N ATOM 111 CA LYS A 11 2.215 -4.282 -4.859 1.00 0.00 C ATOM 112 C LYS A 11 1.443 -4.726 -3.602 1.00 0.00 C ATOM 113 O LYS A 11 0.225 -4.706 -3.580 1.00 0.00 O ATOM 114 CB LYS A 11 2.691 -5.500 -5.665 1.00 0.00 C ATOM 115 CG LYS A 11 3.108 -5.050 -7.070 1.00 0.00 C ATOM 116 CD LYS A 11 2.235 -5.752 -8.118 1.00 0.00 C ATOM 117 CE LYS A 11 0.942 -4.955 -8.340 1.00 0.00 C ATOM 118 NZ LYS A 11 0.906 -4.686 -9.808 1.00 0.00 N ATOM 119 H LYS A 11 4.335 -3.853 -4.819 1.00 0.00 H ATOM 120 HA LYS A 11 1.579 -3.670 -5.478 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.533 -5.958 -5.164 1.00 0.00 H ATOM 122 HB3 LYS A 11 1.887 -6.220 -5.745 1.00 0.00 H ATOM 123 HG2 LYS A 11 2.987 -3.978 -7.155 1.00 0.00 H ATOM 124 HG3 LYS A 11 4.145 -5.307 -7.239 1.00 0.00 H ATOM 125 HD2 LYS A 11 2.777 -5.822 -9.051 1.00 0.00 H ATOM 126 HD3 LYS A 11 1.985 -6.745 -7.774 1.00 0.00 H ATOM 127 HE2 LYS A 11 0.085 -5.545 -8.037 1.00 0.00 H ATOM 128 HE3 LYS A 11 0.973 -4.025 -7.790 1.00 0.00 H ATOM 129 HZ1 LYS A 11 1.707 -4.075 -10.070 1.00 0.00 H ATOM 130 HZ2 LYS A 11 0.019 -4.205 -10.050 1.00 0.00 H ATOM 131 HZ3 LYS A 11 0.969 -5.582 -10.333 1.00 0.00 H ATOM 132 N TRP A 12 2.136 -5.121 -2.558 1.00 0.00 N ATOM 133 CA TRP A 12 1.436 -5.566 -1.305 1.00 0.00 C ATOM 134 C TRP A 12 0.462 -4.488 -0.803 1.00 0.00 C ATOM 135 O TRP A 12 -0.612 -4.791 -0.332 1.00 0.00 O ATOM 136 CB TRP A 12 2.556 -5.802 -0.281 1.00 0.00 C ATOM 137 CG TRP A 12 1.980 -6.244 1.030 1.00 0.00 C ATOM 138 CD1 TRP A 12 1.963 -5.502 2.159 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.330 -7.509 1.366 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.369 -6.233 3.168 1.00 0.00 N ATOM 141 CE2 TRP A 12 0.956 -7.473 2.731 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.035 -8.670 0.631 1.00 0.00 C ATOM 143 CZ2 TRP A 12 0.314 -8.547 3.348 1.00 0.00 C ATOM 144 CZ3 TRP A 12 0.388 -9.756 1.248 1.00 0.00 C ATOM 145 CH2 TRP A 12 0.028 -9.695 2.605 1.00 0.00 C ATOM 146 H TRP A 12 3.116 -5.128 -2.602 1.00 0.00 H ATOM 147 HA TRP A 12 0.908 -6.481 -1.483 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.217 -6.572 -0.645 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.116 -4.887 -0.138 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.345 -4.496 2.257 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.240 -5.925 4.089 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.307 -8.729 -0.411 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.045 -8.491 4.394 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.169 -10.642 0.673 1.00 0.00 H ATOM 155 HH2 TRP A 12 -0.470 -10.536 3.072 1.00 0.00 H ATOM 156 N CYS A 13 0.822 -3.233 -0.904 1.00 0.00 N ATOM 157 CA CYS A 13 -0.101 -2.138 -0.423 1.00 0.00 C ATOM 158 C CYS A 13 -1.505 -2.302 -1.025 1.00 0.00 C ATOM 159 O CYS A 13 -2.493 -2.060 -0.366 1.00 0.00 O ATOM 160 CB CYS A 13 0.533 -0.818 -0.872 1.00 0.00 C ATOM 161 SG CYS A 13 1.014 0.145 0.587 1.00 0.00 S ATOM 162 H CYS A 13 1.691 -3.009 -1.292 1.00 0.00 H ATOM 163 HA CYS A 13 -0.159 -2.163 0.652 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.405 -1.023 -1.474 1.00 0.00 H ATOM 165 HB3 CYS A 13 -0.182 -0.254 -1.454 1.00 0.00 H ATOM 166 N ARG A 14 -1.601 -2.731 -2.257 1.00 0.00 N ATOM 167 CA ARG A 14 -2.953 -2.939 -2.889 1.00 0.00 C ATOM 168 C ARG A 14 -3.547 -4.292 -2.436 1.00 0.00 C ATOM 169 O ARG A 14 -4.743 -4.517 -2.512 1.00 0.00 O ATOM 170 CB ARG A 14 -2.684 -2.931 -4.403 1.00 0.00 C ATOM 171 CG ARG A 14 -3.968 -3.266 -5.174 1.00 0.00 C ATOM 172 CD ARG A 14 -4.834 -2.010 -5.321 1.00 0.00 C ATOM 173 NE ARG A 14 -5.987 -2.224 -4.399 1.00 0.00 N ATOM 174 CZ ARG A 14 -6.867 -3.137 -4.649 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.790 -2.917 -5.513 1.00 0.00 N ATOM 176 NH2 ARG A 14 -6.823 -4.265 -4.023 1.00 0.00 N ATOM 177 H ARG A 14 -0.787 -2.938 -2.761 1.00 0.00 H ATOM 178 HA ARG A 14 -3.619 -2.134 -2.623 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.338 -1.952 -4.698 1.00 0.00 H ATOM 180 HB3 ARG A 14 -1.925 -3.663 -4.638 1.00 0.00 H ATOM 181 HG2 ARG A 14 -3.713 -3.647 -6.158 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.519 -4.019 -4.636 1.00 0.00 H ATOM 183 HD2 ARG A 14 -4.273 -1.134 -5.022 1.00 0.00 H ATOM 184 HD3 ARG A 14 -5.183 -1.906 -6.339 1.00 0.00 H ATOM 185 HE ARG A 14 -6.072 -1.678 -3.595 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.828 -2.042 -5.990 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.463 -3.622 -5.711 1.00 0.00 H ATOM 188 HH21 ARG A 14 -6.102 -4.434 -3.343 1.00 0.00 H ATOM 189 HH22 ARG A 14 -7.501 -4.970 -4.213 1.00 0.00 H ATOM 190 N ASP A 15 -2.709 -5.183 -1.971 1.00 0.00 N ATOM 191 CA ASP A 15 -3.167 -6.531 -1.511 1.00 0.00 C ATOM 192 C ASP A 15 -4.023 -6.428 -0.233 1.00 0.00 C ATOM 193 O ASP A 15 -5.155 -6.884 -0.171 1.00 0.00 O ATOM 194 CB ASP A 15 -1.852 -7.260 -1.190 1.00 0.00 C ATOM 195 CG ASP A 15 -1.885 -8.677 -1.760 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.530 -9.512 -1.156 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.257 -8.909 -2.778 1.00 0.00 O ATOM 198 H ASP A 15 -1.755 -4.968 -1.922 1.00 0.00 H ATOM 199 HA ASP A 15 -3.697 -7.049 -2.290 1.00 0.00 H ATOM 200 HB2 ASP A 15 -1.020 -6.716 -1.614 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.726 -7.310 -0.117 1.00 0.00 H ATOM 202 N HIS A 16 -3.462 -5.860 0.792 1.00 0.00 N ATOM 203 CA HIS A 16 -4.179 -5.739 2.100 1.00 0.00 C ATOM 204 C HIS A 16 -4.780 -4.333 2.312 1.00 0.00 C ATOM 205 O HIS A 16 -5.816 -4.186 2.934 1.00 0.00 O ATOM 206 CB HIS A 16 -3.087 -6.028 3.142 1.00 0.00 C ATOM 207 CG HIS A 16 -2.038 -4.960 3.068 1.00 0.00 C ATOM 208 ND1 HIS A 16 -2.143 -3.757 3.733 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.877 -4.892 2.355 1.00 0.00 C ATOM 210 CE1 HIS A 16 -1.069 -3.020 3.395 1.00 0.00 C ATOM 211 NE2 HIS A 16 -0.266 -3.668 2.562 1.00 0.00 N ATOM 212 H HIS A 16 -2.544 -5.531 0.708 1.00 0.00 H ATOM 213 HA HIS A 16 -4.950 -6.483 2.174 1.00 0.00 H ATOM 214 HB2 HIS A 16 -3.515 -6.049 4.128 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.629 -6.983 2.922 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.867 -3.490 4.342 1.00 0.00 H ATOM 217 HD2 HIS A 16 -0.499 -5.672 1.713 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.896 -2.024 3.731 1.00 0.00 H ATOM 219 N ALA A 17 -4.144 -3.305 1.823 1.00 0.00 N ATOM 220 CA ALA A 17 -4.678 -1.920 2.031 1.00 0.00 C ATOM 221 C ALA A 17 -5.675 -1.534 0.922 1.00 0.00 C ATOM 222 O ALA A 17 -5.336 -1.460 -0.244 1.00 0.00 O ATOM 223 CB ALA A 17 -3.441 -1.017 2.012 1.00 0.00 C ATOM 224 H ALA A 17 -3.306 -3.441 1.332 1.00 0.00 H ATOM 225 HA ALA A 17 -5.157 -1.852 2.991 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.453 -0.407 1.120 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.549 -1.629 2.014 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.442 -0.383 2.884 1.00 0.00 H ATOM 229 N ARG A 18 -6.912 -1.296 1.290 1.00 0.00 N ATOM 230 CA ARG A 18 -7.955 -0.922 0.269 1.00 0.00 C ATOM 231 C ARG A 18 -7.817 0.548 -0.167 1.00 0.00 C ATOM 232 O ARG A 18 -8.000 0.875 -1.324 1.00 0.00 O ATOM 233 CB ARG A 18 -9.318 -1.147 0.955 1.00 0.00 C ATOM 234 CG ARG A 18 -9.398 -2.554 1.563 1.00 0.00 C ATOM 235 CD ARG A 18 -9.002 -3.612 0.524 1.00 0.00 C ATOM 236 NE ARG A 18 -7.917 -4.397 1.188 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.129 -5.617 1.555 1.00 0.00 C ATOM 238 NH1 ARG A 18 -8.895 -5.854 2.566 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.570 -6.591 0.917 1.00 0.00 N ATOM 240 H ARG A 18 -7.155 -1.369 2.239 1.00 0.00 H ATOM 241 HA ARG A 18 -7.871 -1.566 -0.590 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.453 -0.413 1.738 1.00 0.00 H ATOM 243 HB3 ARG A 18 -10.107 -1.031 0.224 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.729 -2.612 2.409 1.00 0.00 H ATOM 245 HG3 ARG A 18 -10.409 -2.740 1.895 1.00 0.00 H ATOM 246 HD2 ARG A 18 -9.853 -4.244 0.292 1.00 0.00 H ATOM 247 HD3 ARG A 18 -8.623 -3.147 -0.375 1.00 0.00 H ATOM 248 HE ARG A 18 -7.048 -3.978 1.368 1.00 0.00 H ATOM 249 HH11 ARG A 18 -9.317 -5.090 3.062 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.070 -6.792 2.852 1.00 0.00 H ATOM 251 HH21 ARG A 18 -6.965 -6.403 0.138 1.00 0.00 H ATOM 252 HH22 ARG A 18 -7.746 -7.528 1.192 1.00 0.00 H ATOM 253 N CYS A 19 -7.508 1.432 0.752 1.00 0.00 N ATOM 254 CA CYS A 19 -7.364 2.896 0.404 1.00 0.00 C ATOM 255 C CYS A 19 -6.423 3.099 -0.803 1.00 0.00 C ATOM 256 O CYS A 19 -6.614 3.993 -1.601 1.00 0.00 O ATOM 257 CB CYS A 19 -6.781 3.554 1.663 1.00 0.00 C ATOM 258 SG CYS A 19 -5.978 5.121 1.228 1.00 0.00 S ATOM 259 H CYS A 19 -7.378 1.137 1.676 1.00 0.00 H ATOM 260 HA CYS A 19 -8.328 3.322 0.188 1.00 0.00 H ATOM 261 HB2 CYS A 19 -7.575 3.746 2.369 1.00 0.00 H ATOM 262 HB3 CYS A 19 -6.057 2.891 2.115 1.00 0.00 H ATOM 263 N CYS A 20 -5.416 2.272 -0.945 1.00 0.00 N ATOM 264 CA CYS A 20 -4.474 2.421 -2.108 1.00 0.00 C ATOM 265 C CYS A 20 -5.092 1.830 -3.386 1.00 0.00 C ATOM 266 O CYS A 20 -4.677 0.790 -3.865 1.00 0.00 O ATOM 267 CB CYS A 20 -3.207 1.654 -1.712 1.00 0.00 C ATOM 268 SG CYS A 20 -1.769 2.733 -1.923 1.00 0.00 S ATOM 269 H CYS A 20 -5.285 1.552 -0.296 1.00 0.00 H ATOM 270 HA CYS A 20 -4.234 3.462 -2.263 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.277 1.345 -0.679 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.100 0.783 -2.341 1.00 0.00 H HETATM 273 N NH2 A 21 -6.063 2.458 -3.972 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -6.451 2.096 -4.793 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.404 3.296 -3.593 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 16 HETATM 1 N PCA A 1 3.921 7.260 8.950 1.00 0.00 N HETATM 2 CA PCA A 1 3.822 6.204 7.859 1.00 0.00 C HETATM 3 CB PCA A 1 3.896 4.859 8.596 1.00 0.00 C HETATM 4 CG PCA A 1 4.058 5.187 10.063 1.00 0.00 C HETATM 5 CD PCA A 1 4.084 6.695 10.111 1.00 0.00 C HETATM 6 OE PCA A 1 4.475 7.283 11.097 1.00 0.00 O HETATM 7 C PCA A 1 2.492 6.325 7.089 1.00 0.00 C HETATM 8 O PCA A 1 1.433 6.457 7.675 1.00 0.00 O HETATM 9 H1 PCA A 1 4.740 7.864 8.776 1.00 0.00 H HETATM 10 H2 PCA A 1 3.052 7.838 8.961 1.00 0.00 H HETATM 11 HA PCA A 1 4.655 6.292 7.181 1.00 0.00 H HETATM 12 HB2 PCA A 1 4.747 4.294 8.251 1.00 0.00 H HETATM 13 HB3 PCA A 1 2.985 4.297 8.435 1.00 0.00 H HETATM 14 HG2 PCA A 1 4.987 4.791 10.440 1.00 0.00 H HETATM 15 HG3 PCA A 1 3.220 4.804 10.628 1.00 0.00 H ATOM 16 N ASN A 2 2.540 6.276 5.780 1.00 0.00 N ATOM 17 CA ASN A 2 1.281 6.385 4.969 1.00 0.00 C ATOM 18 C ASN A 2 1.467 5.741 3.584 1.00 0.00 C ATOM 19 O ASN A 2 2.322 6.129 2.815 1.00 0.00 O ATOM 20 CB ASN A 2 1.017 7.891 4.838 1.00 0.00 C ATOM 21 CG ASN A 2 -0.398 8.114 4.310 1.00 0.00 C ATOM 22 OD1 ASN A 2 -0.756 7.612 3.267 1.00 0.00 O ATOM 23 ND2 ASN A 2 -1.224 8.852 4.985 1.00 0.00 N ATOM 24 H ASN A 2 3.403 6.164 5.328 1.00 0.00 H ATOM 25 HA ASN A 2 0.460 5.913 5.488 1.00 0.00 H ATOM 26 HB2 ASN A 2 1.115 8.359 5.807 1.00 0.00 H ATOM 27 HB3 ASN A 2 1.727 8.327 4.153 1.00 0.00 H ATOM 28 HD21 ASN A 2 -0.939 9.262 5.828 1.00 0.00 H ATOM 29 HD22 ASN A 2 -2.133 8.994 4.654 1.00 0.00 H ATOM 30 N CYS A 3 0.663 4.760 3.264 1.00 0.00 N ATOM 31 CA CYS A 3 0.789 4.082 1.925 1.00 0.00 C ATOM 32 C CYS A 3 0.042 4.864 0.831 1.00 0.00 C ATOM 33 O CYS A 3 0.382 4.795 -0.334 1.00 0.00 O ATOM 34 CB CYS A 3 0.160 2.695 2.111 1.00 0.00 C ATOM 35 SG CYS A 3 1.066 1.475 1.130 1.00 0.00 S ATOM 36 H CYS A 3 -0.023 4.468 3.901 1.00 0.00 H ATOM 37 HA CYS A 3 1.828 3.977 1.660 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.200 2.415 3.153 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.872 2.720 1.788 1.00 0.00 H ATOM 40 N CYS A 4 -0.978 5.601 1.192 1.00 0.00 N ATOM 41 CA CYS A 4 -1.754 6.377 0.162 1.00 0.00 C ATOM 42 C CYS A 4 -1.131 7.753 -0.117 1.00 0.00 C ATOM 43 O CYS A 4 -1.554 8.460 -1.007 1.00 0.00 O ATOM 44 CB CYS A 4 -3.148 6.539 0.765 1.00 0.00 C ATOM 45 SG CYS A 4 -4.017 4.948 0.703 1.00 0.00 S ATOM 46 H CYS A 4 -1.240 5.644 2.135 1.00 0.00 H ATOM 47 HA CYS A 4 -1.813 5.812 -0.755 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.057 6.865 1.792 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.693 7.276 0.201 1.00 0.00 H ATOM 50 N ASN A 5 -0.120 8.125 0.611 1.00 0.00 N ATOM 51 CA ASN A 5 0.545 9.447 0.363 1.00 0.00 C ATOM 52 C ASN A 5 1.748 9.253 -0.576 1.00 0.00 C ATOM 53 O ASN A 5 2.665 10.050 -0.617 1.00 0.00 O ATOM 54 CB ASN A 5 0.995 9.938 1.741 1.00 0.00 C ATOM 55 CG ASN A 5 0.253 11.221 2.105 1.00 0.00 C ATOM 56 OD1 ASN A 5 0.807 12.297 2.046 1.00 0.00 O ATOM 57 ND2 ASN A 5 -0.986 11.158 2.489 1.00 0.00 N ATOM 58 H ASN A 5 0.215 7.531 1.302 1.00 0.00 H ATOM 59 HA ASN A 5 -0.156 10.141 -0.074 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.781 9.181 2.477 1.00 0.00 H ATOM 61 HB3 ASN A 5 2.055 10.135 1.724 1.00 0.00 H ATOM 62 HD21 ASN A 5 -1.440 10.292 2.544 1.00 0.00 H ATOM 63 HD22 ASN A 5 -1.467 11.979 2.723 1.00 0.00 H ATOM 64 N GLY A 6 1.734 8.187 -1.327 1.00 0.00 N ATOM 65 CA GLY A 6 2.854 7.903 -2.276 1.00 0.00 C ATOM 66 C GLY A 6 3.497 6.549 -1.962 1.00 0.00 C ATOM 67 O GLY A 6 4.684 6.368 -2.155 1.00 0.00 O ATOM 68 H GLY A 6 0.983 7.571 -1.265 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.474 7.892 -3.287 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.598 8.676 -2.183 1.00 0.00 H ATOM 71 N GLY A 7 2.735 5.593 -1.484 1.00 0.00 N ATOM 72 CA GLY A 7 3.326 4.252 -1.164 1.00 0.00 C ATOM 73 C GLY A 7 2.573 3.146 -1.913 1.00 0.00 C ATOM 74 O GLY A 7 2.410 2.055 -1.416 1.00 0.00 O ATOM 75 H GLY A 7 1.773 5.753 -1.331 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.368 4.238 -1.451 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.247 4.071 -0.105 1.00 0.00 H ATOM 78 N CYS A 8 2.116 3.413 -3.110 1.00 0.00 N ATOM 79 CA CYS A 8 1.369 2.359 -3.879 1.00 0.00 C ATOM 80 C CYS A 8 2.230 1.751 -4.990 1.00 0.00 C ATOM 81 O CYS A 8 1.766 0.932 -5.756 1.00 0.00 O ATOM 82 CB CYS A 8 0.156 3.074 -4.470 1.00 0.00 C ATOM 83 SG CYS A 8 -1.332 2.089 -4.163 1.00 0.00 S ATOM 84 H CYS A 8 2.258 4.300 -3.499 1.00 0.00 H ATOM 85 HA CYS A 8 1.043 1.577 -3.214 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.051 4.042 -4.005 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.296 3.198 -5.533 1.00 0.00 H ATOM 88 N SER A 9 3.485 2.114 -5.065 1.00 0.00 N ATOM 89 CA SER A 9 4.374 1.517 -6.113 1.00 0.00 C ATOM 90 C SER A 9 4.644 0.045 -5.780 1.00 0.00 C ATOM 91 O SER A 9 4.880 -0.766 -6.654 1.00 0.00 O ATOM 92 CB SER A 9 5.677 2.317 -6.060 1.00 0.00 C ATOM 93 OG SER A 9 6.194 2.449 -7.384 1.00 0.00 O ATOM 94 H SER A 9 3.844 2.758 -4.423 1.00 0.00 H ATOM 95 HA SER A 9 3.922 1.603 -7.089 1.00 0.00 H ATOM 96 HB2 SER A 9 5.486 3.291 -5.646 1.00 0.00 H ATOM 97 HB3 SER A 9 6.393 1.799 -5.434 1.00 0.00 H ATOM 98 HG SER A 9 5.955 3.324 -7.719 1.00 0.00 H ATOM 99 N SER A 10 4.603 -0.304 -4.521 1.00 0.00 N ATOM 100 CA SER A 10 4.846 -1.723 -4.115 1.00 0.00 C ATOM 101 C SER A 10 3.523 -2.492 -4.093 1.00 0.00 C ATOM 102 O SER A 10 2.532 -2.037 -3.548 1.00 0.00 O ATOM 103 CB SER A 10 5.455 -1.658 -2.711 1.00 0.00 C ATOM 104 OG SER A 10 5.280 -0.353 -2.163 1.00 0.00 O ATOM 105 H SER A 10 4.405 0.368 -3.830 1.00 0.00 H ATOM 106 HA SER A 10 5.540 -2.193 -4.794 1.00 0.00 H ATOM 107 HB2 SER A 10 4.964 -2.373 -2.076 1.00 0.00 H ATOM 108 HB3 SER A 10 6.510 -1.900 -2.770 1.00 0.00 H ATOM 109 HG SER A 10 6.065 -0.134 -1.650 1.00 0.00 H ATOM 110 N LYS A 11 3.501 -3.652 -4.693 1.00 0.00 N ATOM 111 CA LYS A 11 2.244 -4.479 -4.741 1.00 0.00 C ATOM 112 C LYS A 11 1.640 -4.709 -3.342 1.00 0.00 C ATOM 113 O LYS A 11 0.436 -4.795 -3.199 1.00 0.00 O ATOM 114 CB LYS A 11 2.661 -5.809 -5.391 1.00 0.00 C ATOM 115 CG LYS A 11 3.680 -6.546 -4.510 1.00 0.00 C ATOM 116 CD LYS A 11 3.978 -7.919 -5.120 1.00 0.00 C ATOM 117 CE LYS A 11 4.244 -8.928 -4.004 1.00 0.00 C ATOM 118 NZ LYS A 11 3.757 -10.232 -4.540 1.00 0.00 N ATOM 119 H LYS A 11 4.315 -3.979 -5.127 1.00 0.00 H ATOM 120 HA LYS A 11 1.513 -3.992 -5.369 1.00 0.00 H ATOM 121 HB2 LYS A 11 1.785 -6.431 -5.519 1.00 0.00 H ATOM 122 HB3 LYS A 11 3.101 -5.613 -6.356 1.00 0.00 H ATOM 123 HG2 LYS A 11 4.593 -5.968 -4.456 1.00 0.00 H ATOM 124 HG3 LYS A 11 3.276 -6.674 -3.515 1.00 0.00 H ATOM 125 HD2 LYS A 11 3.127 -8.246 -5.704 1.00 0.00 H ATOM 126 HD3 LYS A 11 4.847 -7.853 -5.758 1.00 0.00 H ATOM 127 HE2 LYS A 11 5.304 -8.974 -3.787 1.00 0.00 H ATOM 128 HE3 LYS A 11 3.689 -8.662 -3.116 1.00 0.00 H ATOM 129 HZ1 LYS A 11 2.717 -10.261 -4.491 1.00 0.00 H ATOM 130 HZ2 LYS A 11 4.147 -11.010 -3.977 1.00 0.00 H ATOM 131 HZ3 LYS A 11 4.054 -10.340 -5.534 1.00 0.00 H ATOM 132 N TRP A 12 2.453 -4.812 -2.314 1.00 0.00 N ATOM 133 CA TRP A 12 1.900 -5.045 -0.934 1.00 0.00 C ATOM 134 C TRP A 12 0.858 -3.979 -0.552 1.00 0.00 C ATOM 135 O TRP A 12 -0.159 -4.292 0.029 1.00 0.00 O ATOM 136 CB TRP A 12 3.111 -4.981 0.011 1.00 0.00 C ATOM 137 CG TRP A 12 2.684 -5.304 1.407 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.641 -4.419 2.421 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.231 -6.574 1.955 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.218 -5.067 3.567 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.945 -6.394 3.329 1.00 0.00 C ATOM 142 CE3 TRP A 12 2.048 -7.852 1.402 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.492 -7.440 4.126 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.588 -8.910 2.203 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.311 -8.702 3.564 1.00 0.00 C ATOM 146 H TRP A 12 3.418 -4.742 -2.449 1.00 0.00 H ATOM 147 HA TRP A 12 1.453 -6.022 -0.880 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.856 -5.694 -0.309 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.533 -3.987 -0.011 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.893 -3.375 2.353 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.108 -4.646 4.447 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.261 -8.018 0.356 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.279 -7.272 5.172 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.448 -9.889 1.770 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.953 -9.518 4.174 1.00 0.00 H ATOM 156 N CYS A 13 1.098 -2.733 -0.868 1.00 0.00 N ATOM 157 CA CYS A 13 0.104 -1.663 -0.503 1.00 0.00 C ATOM 158 C CYS A 13 -1.311 -2.039 -0.972 1.00 0.00 C ATOM 159 O CYS A 13 -2.277 -1.829 -0.274 1.00 0.00 O ATOM 160 CB CYS A 13 0.581 -0.387 -1.201 1.00 0.00 C ATOM 161 SG CYS A 13 -0.180 1.051 -0.402 1.00 0.00 S ATOM 162 H CYS A 13 1.925 -2.503 -1.339 1.00 0.00 H ATOM 163 HA CYS A 13 0.107 -1.513 0.563 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.655 -0.313 -1.123 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.297 -0.414 -2.244 1.00 0.00 H ATOM 166 N ARG A 14 -1.437 -2.612 -2.139 1.00 0.00 N ATOM 167 CA ARG A 14 -2.794 -3.024 -2.638 1.00 0.00 C ATOM 168 C ARG A 14 -3.219 -4.372 -2.005 1.00 0.00 C ATOM 169 O ARG A 14 -4.383 -4.725 -1.983 1.00 0.00 O ATOM 170 CB ARG A 14 -2.629 -3.156 -4.158 1.00 0.00 C ATOM 171 CG ARG A 14 -4.003 -3.096 -4.845 1.00 0.00 C ATOM 172 CD ARG A 14 -4.681 -1.741 -4.586 1.00 0.00 C ATOM 173 NE ARG A 14 -3.740 -0.716 -5.144 1.00 0.00 N ATOM 174 CZ ARG A 14 -3.965 -0.180 -6.310 1.00 0.00 C ATOM 175 NH1 ARG A 14 -4.882 0.719 -6.438 1.00 0.00 N ATOM 176 NH2 ARG A 14 -3.263 -0.542 -7.334 1.00 0.00 N ATOM 177 H ARG A 14 -0.641 -2.793 -2.679 1.00 0.00 H ATOM 178 HA ARG A 14 -3.524 -2.261 -2.410 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.006 -2.354 -4.522 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.160 -4.103 -4.381 1.00 0.00 H ATOM 181 HG2 ARG A 14 -3.873 -3.228 -5.911 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.629 -3.889 -4.462 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.635 -1.700 -5.099 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.820 -1.587 -3.524 1.00 0.00 H ATOM 185 HE ARG A 14 -2.950 -0.446 -4.626 1.00 0.00 H ATOM 186 HH11 ARG A 14 -5.422 1.000 -5.637 1.00 0.00 H ATOM 187 HH12 ARG A 14 -5.057 1.136 -7.329 1.00 0.00 H ATOM 188 HH21 ARG A 14 -2.552 -1.233 -7.233 1.00 0.00 H ATOM 189 HH22 ARG A 14 -3.430 -0.128 -8.227 1.00 0.00 H ATOM 190 N ASP A 15 -2.268 -5.117 -1.496 1.00 0.00 N ATOM 191 CA ASP A 15 -2.556 -6.441 -0.858 1.00 0.00 C ATOM 192 C ASP A 15 -3.371 -6.280 0.438 1.00 0.00 C ATOM 193 O ASP A 15 -4.434 -6.859 0.610 1.00 0.00 O ATOM 194 CB ASP A 15 -1.157 -6.974 -0.519 1.00 0.00 C ATOM 195 CG ASP A 15 -1.032 -8.427 -0.948 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.663 -9.267 -0.333 1.00 0.00 O ATOM 197 OD2 ASP A 15 -0.301 -8.683 -1.888 1.00 0.00 O ATOM 198 H ASP A 15 -1.343 -4.801 -1.533 1.00 0.00 H ATOM 199 HA ASP A 15 -3.051 -7.109 -1.544 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.417 -6.380 -1.033 1.00 0.00 H ATOM 201 HB3 ASP A 15 -0.993 -6.894 0.546 1.00 0.00 H ATOM 202 N HIS A 16 -2.846 -5.523 1.359 1.00 0.00 N ATOM 203 CA HIS A 16 -3.518 -5.322 2.680 1.00 0.00 C ATOM 204 C HIS A 16 -4.229 -3.952 2.765 1.00 0.00 C ATOM 205 O HIS A 16 -5.197 -3.800 3.490 1.00 0.00 O ATOM 206 CB HIS A 16 -2.353 -5.403 3.686 1.00 0.00 C ATOM 207 CG HIS A 16 -1.423 -4.246 3.463 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.671 -2.989 3.965 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.269 -4.138 2.743 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.688 -2.182 3.531 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.196 -2.834 2.784 1.00 0.00 N ATOM 212 H HIS A 16 -1.979 -5.101 1.189 1.00 0.00 H ATOM 213 HA HIS A 16 -4.217 -6.116 2.869 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.731 -5.377 4.692 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.805 -6.319 3.528 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.429 -2.731 4.527 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.208 -4.951 2.218 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.635 -1.134 3.736 1.00 0.00 H ATOM 219 N ALA A 17 -3.753 -2.957 2.061 1.00 0.00 N ATOM 220 CA ALA A 17 -4.394 -1.599 2.144 1.00 0.00 C ATOM 221 C ALA A 17 -5.473 -1.400 1.067 1.00 0.00 C ATOM 222 O ALA A 17 -5.269 -1.665 -0.103 1.00 0.00 O ATOM 223 CB ALA A 17 -3.233 -0.613 1.957 1.00 0.00 C ATOM 224 H ALA A 17 -2.965 -3.094 1.496 1.00 0.00 H ATOM 225 HA ALA A 17 -4.828 -1.461 3.121 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.296 -1.144 2.025 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.273 0.142 2.729 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.308 -0.143 0.987 1.00 0.00 H ATOM 229 N ARG A 18 -6.629 -0.932 1.464 1.00 0.00 N ATOM 230 CA ARG A 18 -7.737 -0.712 0.475 1.00 0.00 C ATOM 231 C ARG A 18 -7.857 0.776 0.083 1.00 0.00 C ATOM 232 O ARG A 18 -8.414 1.104 -0.942 1.00 0.00 O ATOM 233 CB ARG A 18 -9.020 -1.184 1.183 1.00 0.00 C ATOM 234 CG ARG A 18 -8.780 -2.528 1.894 1.00 0.00 C ATOM 235 CD ARG A 18 -8.463 -3.620 0.871 1.00 0.00 C ATOM 236 NE ARG A 18 -7.245 -4.304 1.410 1.00 0.00 N ATOM 237 CZ ARG A 18 -7.309 -5.529 1.822 1.00 0.00 C ATOM 238 NH1 ARG A 18 -7.699 -6.455 1.021 1.00 0.00 N ATOM 239 NH2 ARG A 18 -6.981 -5.815 3.034 1.00 0.00 N ATOM 240 H ARG A 18 -6.773 -0.727 2.412 1.00 0.00 H ATOM 241 HA ARG A 18 -7.571 -1.310 -0.407 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.319 -0.443 1.911 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.809 -1.302 0.451 1.00 0.00 H ATOM 244 HG2 ARG A 18 -7.954 -2.427 2.580 1.00 0.00 H ATOM 245 HG3 ARG A 18 -9.668 -2.803 2.444 1.00 0.00 H ATOM 246 HD2 ARG A 18 -9.291 -4.319 0.800 1.00 0.00 H ATOM 247 HD3 ARG A 18 -8.256 -3.184 -0.095 1.00 0.00 H ATOM 248 HE ARG A 18 -6.392 -3.826 1.456 1.00 0.00 H ATOM 249 HH11 ARG A 18 -7.949 -6.228 0.085 1.00 0.00 H ATOM 250 HH12 ARG A 18 -7.751 -7.399 1.332 1.00 0.00 H ATOM 251 HH21 ARG A 18 -6.671 -5.090 3.650 1.00 0.00 H ATOM 252 HH22 ARG A 18 -7.037 -6.756 3.357 1.00 0.00 H ATOM 253 N CYS A 19 -7.353 1.677 0.897 1.00 0.00 N ATOM 254 CA CYS A 19 -7.456 3.149 0.576 1.00 0.00 C ATOM 255 C CYS A 19 -6.863 3.490 -0.804 1.00 0.00 C ATOM 256 O CYS A 19 -7.334 4.385 -1.478 1.00 0.00 O ATOM 257 CB CYS A 19 -6.666 3.854 1.686 1.00 0.00 C ATOM 258 SG CYS A 19 -5.951 5.403 1.065 1.00 0.00 S ATOM 259 H CYS A 19 -6.919 1.389 1.727 1.00 0.00 H ATOM 260 HA CYS A 19 -8.485 3.465 0.615 1.00 0.00 H ATOM 261 HB2 CYS A 19 -7.328 4.069 2.507 1.00 0.00 H ATOM 262 HB3 CYS A 19 -5.873 3.203 2.026 1.00 0.00 H ATOM 263 N CYS A 20 -5.838 2.794 -1.224 1.00 0.00 N ATOM 264 CA CYS A 20 -5.215 3.089 -2.562 1.00 0.00 C ATOM 265 C CYS A 20 -6.143 2.645 -3.708 1.00 0.00 C ATOM 266 O CYS A 20 -5.938 1.611 -4.312 1.00 0.00 O ATOM 267 CB CYS A 20 -3.907 2.285 -2.588 1.00 0.00 C ATOM 268 SG CYS A 20 -2.552 3.344 -3.157 1.00 0.00 S ATOM 269 H CYS A 20 -5.473 2.081 -0.659 1.00 0.00 H ATOM 270 HA CYS A 20 -4.997 4.143 -2.649 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.683 1.921 -1.597 1.00 0.00 H ATOM 272 HB3 CYS A 20 -4.012 1.446 -3.261 1.00 0.00 H HETATM 273 N NH2 A 21 -7.156 3.387 -4.044 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.739 3.109 -4.781 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.334 4.225 -3.562 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 17 HETATM 1 N PCA A 1 5.885 6.008 7.394 1.00 0.00 N HETATM 2 CA PCA A 1 5.667 5.080 6.212 1.00 0.00 C HETATM 3 CB PCA A 1 5.989 3.679 6.758 1.00 0.00 C HETATM 4 CG PCA A 1 6.066 3.827 8.260 1.00 0.00 C HETATM 5 CD PCA A 1 5.891 5.310 8.496 1.00 0.00 C HETATM 6 OE PCA A 1 5.448 5.717 9.547 1.00 0.00 O HETATM 7 C PCA A 1 4.207 5.157 5.747 1.00 0.00 C HETATM 8 O PCA A 1 3.345 4.459 6.246 1.00 0.00 O HETATM 9 H1 PCA A 1 6.801 6.482 7.305 1.00 0.00 H HETATM 10 H2 PCA A 1 5.120 6.722 7.427 1.00 0.00 H HETATM 11 HA PCA A 1 6.339 5.329 5.406 1.00 0.00 H HETATM 12 HB2 PCA A 1 6.937 3.338 6.373 1.00 0.00 H HETATM 13 HB3 PCA A 1 5.203 2.985 6.490 1.00 0.00 H HETATM 14 HG2 PCA A 1 7.029 3.506 8.625 1.00 0.00 H HETATM 15 HG3 PCA A 1 5.271 3.268 8.734 1.00 0.00 H ATOM 16 N ASN A 2 3.920 6.009 4.800 1.00 0.00 N ATOM 17 CA ASN A 2 2.508 6.139 4.315 1.00 0.00 C ATOM 18 C ASN A 2 2.309 5.382 2.988 1.00 0.00 C ATOM 19 O ASN A 2 3.188 5.338 2.149 1.00 0.00 O ATOM 20 CB ASN A 2 2.290 7.654 4.142 1.00 0.00 C ATOM 21 CG ASN A 2 2.535 8.074 2.689 1.00 0.00 C ATOM 22 OD1 ASN A 2 1.735 7.794 1.826 1.00 0.00 O ATOM 23 ND2 ASN A 2 3.608 8.736 2.382 1.00 0.00 N ATOM 24 H ASN A 2 4.626 6.568 4.415 1.00 0.00 H ATOM 25 HA ASN A 2 1.828 5.758 5.061 1.00 0.00 H ATOM 26 HB2 ASN A 2 1.277 7.902 4.416 1.00 0.00 H ATOM 27 HB3 ASN A 2 2.973 8.190 4.786 1.00 0.00 H ATOM 28 HD21 ASN A 2 4.259 8.968 3.075 1.00 0.00 H ATOM 29 HD22 ASN A 2 3.765 9.004 1.454 1.00 0.00 H ATOM 30 N CYS A 3 1.157 4.790 2.795 1.00 0.00 N ATOM 31 CA CYS A 3 0.898 4.045 1.518 1.00 0.00 C ATOM 32 C CYS A 3 0.035 4.878 0.554 1.00 0.00 C ATOM 33 O CYS A 3 0.394 5.108 -0.585 1.00 0.00 O ATOM 34 CB CYS A 3 0.165 2.769 1.937 1.00 0.00 C ATOM 35 SG CYS A 3 -0.279 1.816 0.462 1.00 0.00 S ATOM 36 H CYS A 3 0.460 4.839 3.484 1.00 0.00 H ATOM 37 HA CYS A 3 1.830 3.788 1.046 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.809 2.175 2.567 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.729 3.029 2.482 1.00 0.00 H ATOM 40 N CYS A 4 -1.110 5.323 0.997 1.00 0.00 N ATOM 41 CA CYS A 4 -2.006 6.127 0.094 1.00 0.00 C ATOM 42 C CYS A 4 -1.683 7.630 0.123 1.00 0.00 C ATOM 43 O CYS A 4 -2.210 8.388 -0.663 1.00 0.00 O ATOM 44 CB CYS A 4 -3.424 5.887 0.617 1.00 0.00 C ATOM 45 SG CYS A 4 -4.289 4.737 -0.481 1.00 0.00 S ATOM 46 H CYS A 4 -1.387 5.117 1.913 1.00 0.00 H ATOM 47 HA CYS A 4 -1.926 5.760 -0.918 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.376 5.466 1.612 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.958 6.825 0.650 1.00 0.00 H ATOM 50 N ASN A 5 -0.807 8.073 0.983 1.00 0.00 N ATOM 51 CA ASN A 5 -0.455 9.531 1.001 1.00 0.00 C ATOM 52 C ASN A 5 0.750 9.782 0.082 1.00 0.00 C ATOM 53 O ASN A 5 1.419 10.794 0.168 1.00 0.00 O ATOM 54 CB ASN A 5 -0.115 9.848 2.464 1.00 0.00 C ATOM 55 CG ASN A 5 -1.069 10.904 3.020 1.00 0.00 C ATOM 56 OD1 ASN A 5 -0.649 11.810 3.705 1.00 0.00 O ATOM 57 ND2 ASN A 5 -2.340 10.820 2.773 1.00 0.00 N ATOM 58 H ASN A 5 -0.359 7.454 1.589 1.00 0.00 H ATOM 59 HA ASN A 5 -1.295 10.122 0.674 1.00 0.00 H ATOM 60 HB2 ASN A 5 -0.202 8.948 3.055 1.00 0.00 H ATOM 61 HB3 ASN A 5 0.897 10.218 2.526 1.00 0.00 H ATOM 62 HD21 ASN A 5 -2.690 10.080 2.235 1.00 0.00 H ATOM 63 HD22 ASN A 5 -2.950 11.500 3.124 1.00 0.00 H ATOM 64 N GLY A 6 1.015 8.850 -0.801 1.00 0.00 N ATOM 65 CA GLY A 6 2.159 8.987 -1.750 1.00 0.00 C ATOM 66 C GLY A 6 3.130 7.804 -1.604 1.00 0.00 C ATOM 67 O GLY A 6 4.321 7.956 -1.792 1.00 0.00 O ATOM 68 H GLY A 6 0.451 8.059 -0.838 1.00 0.00 H ATOM 69 HA2 GLY A 6 1.785 9.017 -2.762 1.00 0.00 H ATOM 70 HA3 GLY A 6 2.686 9.900 -1.539 1.00 0.00 H ATOM 71 N GLY A 7 2.638 6.627 -1.276 1.00 0.00 N ATOM 72 CA GLY A 7 3.557 5.447 -1.123 1.00 0.00 C ATOM 73 C GLY A 7 2.830 4.139 -1.452 1.00 0.00 C ATOM 74 O GLY A 7 2.909 3.178 -0.717 1.00 0.00 O ATOM 75 H GLY A 7 1.666 6.518 -1.131 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.401 5.561 -1.788 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.913 5.406 -0.107 1.00 0.00 H ATOM 78 N CYS A 8 2.126 4.098 -2.550 1.00 0.00 N ATOM 79 CA CYS A 8 1.383 2.845 -2.935 1.00 0.00 C ATOM 80 C CYS A 8 2.100 2.094 -4.063 1.00 0.00 C ATOM 81 O CYS A 8 1.512 1.289 -4.760 1.00 0.00 O ATOM 82 CB CYS A 8 0.028 3.342 -3.421 1.00 0.00 C ATOM 83 SG CYS A 8 -1.298 2.407 -2.618 1.00 0.00 S ATOM 84 H CYS A 8 2.082 4.889 -3.123 1.00 0.00 H ATOM 85 HA CYS A 8 1.255 2.201 -2.080 1.00 0.00 H ATOM 86 HB2 CYS A 8 -0.066 4.387 -3.180 1.00 0.00 H ATOM 87 HB3 CYS A 8 -0.039 3.212 -4.491 1.00 0.00 H ATOM 88 N SER A 9 3.366 2.352 -4.246 1.00 0.00 N ATOM 89 CA SER A 9 4.138 1.656 -5.327 1.00 0.00 C ATOM 90 C SER A 9 4.435 0.199 -4.945 1.00 0.00 C ATOM 91 O SER A 9 4.642 -0.643 -5.800 1.00 0.00 O ATOM 92 CB SER A 9 5.438 2.447 -5.448 1.00 0.00 C ATOM 93 OG SER A 9 5.716 2.676 -6.826 1.00 0.00 O ATOM 94 H SER A 9 3.812 3.002 -3.671 1.00 0.00 H ATOM 95 HA SER A 9 3.601 1.696 -6.261 1.00 0.00 H ATOM 96 HB2 SER A 9 5.335 3.393 -4.941 1.00 0.00 H ATOM 97 HB3 SER A 9 6.242 1.888 -4.990 1.00 0.00 H ATOM 98 HG SER A 9 6.556 3.145 -6.890 1.00 0.00 H ATOM 99 N SER A 10 4.461 -0.109 -3.674 1.00 0.00 N ATOM 100 CA SER A 10 4.748 -1.512 -3.242 1.00 0.00 C ATOM 101 C SER A 10 3.524 -2.407 -3.478 1.00 0.00 C ATOM 102 O SER A 10 2.409 -2.065 -3.139 1.00 0.00 O ATOM 103 CB SER A 10 5.077 -1.434 -1.743 1.00 0.00 C ATOM 104 OG SER A 10 4.696 -0.158 -1.221 1.00 0.00 O ATOM 105 H SER A 10 4.294 0.577 -2.997 1.00 0.00 H ATOM 106 HA SER A 10 5.597 -1.901 -3.782 1.00 0.00 H ATOM 107 HB2 SER A 10 4.536 -2.203 -1.222 1.00 0.00 H ATOM 108 HB3 SER A 10 6.140 -1.591 -1.603 1.00 0.00 H ATOM 109 HG SER A 10 5.250 0.034 -0.457 1.00 0.00 H ATOM 110 N LYS A 11 3.728 -3.557 -4.061 1.00 0.00 N ATOM 111 CA LYS A 11 2.583 -4.497 -4.338 1.00 0.00 C ATOM 112 C LYS A 11 1.776 -4.794 -3.061 1.00 0.00 C ATOM 113 O LYS A 11 0.560 -4.768 -3.069 1.00 0.00 O ATOM 114 CB LYS A 11 3.245 -5.775 -4.862 1.00 0.00 C ATOM 115 CG LYS A 11 3.686 -5.571 -6.317 1.00 0.00 C ATOM 116 CD LYS A 11 2.908 -6.521 -7.234 1.00 0.00 C ATOM 117 CE LYS A 11 3.391 -7.958 -7.018 1.00 0.00 C ATOM 118 NZ LYS A 11 3.602 -8.495 -8.392 1.00 0.00 N ATOM 119 H LYS A 11 4.636 -3.805 -4.326 1.00 0.00 H ATOM 120 HA LYS A 11 1.935 -4.088 -5.096 1.00 0.00 H ATOM 121 HB2 LYS A 11 4.108 -6.005 -4.251 1.00 0.00 H ATOM 122 HB3 LYS A 11 2.541 -6.593 -4.809 1.00 0.00 H ATOM 123 HG2 LYS A 11 3.495 -4.547 -6.612 1.00 0.00 H ATOM 124 HG3 LYS A 11 4.743 -5.776 -6.404 1.00 0.00 H ATOM 125 HD2 LYS A 11 1.852 -6.459 -7.008 1.00 0.00 H ATOM 126 HD3 LYS A 11 3.070 -6.240 -8.266 1.00 0.00 H ATOM 127 HE2 LYS A 11 4.320 -7.960 -6.459 1.00 0.00 H ATOM 128 HE3 LYS A 11 2.638 -8.535 -6.503 1.00 0.00 H ATOM 129 HZ1 LYS A 11 4.424 -8.028 -8.828 1.00 0.00 H ATOM 130 HZ2 LYS A 11 2.759 -8.318 -8.973 1.00 0.00 H ATOM 131 HZ3 LYS A 11 3.778 -9.520 -8.340 1.00 0.00 H ATOM 132 N TRP A 12 2.445 -5.076 -1.968 1.00 0.00 N ATOM 133 CA TRP A 12 1.723 -5.383 -0.687 1.00 0.00 C ATOM 134 C TRP A 12 0.743 -4.259 -0.308 1.00 0.00 C ATOM 135 O TRP A 12 -0.293 -4.511 0.262 1.00 0.00 O ATOM 136 CB TRP A 12 2.835 -5.512 0.354 1.00 0.00 C ATOM 137 CG TRP A 12 2.262 -5.814 1.707 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.196 -4.936 2.737 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.676 -7.059 2.201 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.635 -5.570 3.834 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.290 -6.874 3.551 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.446 -8.317 1.618 1.00 0.00 C ATOM 143 CZ2 TRP A 12 0.701 -7.896 4.293 1.00 0.00 C ATOM 144 CZ3 TRP A 12 0.849 -9.352 2.364 1.00 0.00 C ATOM 145 CH2 TRP A 12 0.478 -9.139 3.699 1.00 0.00 C ATOM 146 H TRP A 12 3.426 -5.090 -1.990 1.00 0.00 H ATOM 147 HA TRP A 12 1.193 -6.313 -0.770 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.499 -6.311 0.065 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.391 -4.586 0.399 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.529 -3.911 2.711 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.483 -5.157 4.708 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.723 -8.490 0.589 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.418 -7.725 5.320 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.679 -10.315 1.907 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.015 -9.931 4.266 1.00 0.00 H ATOM 156 N CYS A 13 1.059 -3.023 -0.622 1.00 0.00 N ATOM 157 CA CYS A 13 0.130 -1.889 -0.270 1.00 0.00 C ATOM 158 C CYS A 13 -1.308 -2.190 -0.718 1.00 0.00 C ATOM 159 O CYS A 13 -2.226 -2.124 0.066 1.00 0.00 O ATOM 160 CB CYS A 13 0.670 -0.655 -1.000 1.00 0.00 C ATOM 161 SG CYS A 13 1.269 0.545 0.213 1.00 0.00 S ATOM 162 H CYS A 13 1.899 -2.842 -1.086 1.00 0.00 H ATOM 163 HA CYS A 13 0.150 -1.718 0.791 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.484 -0.943 -1.649 1.00 0.00 H ATOM 165 HB3 CYS A 13 -0.117 -0.211 -1.590 1.00 0.00 H ATOM 166 N ARG A 14 -1.509 -2.526 -1.967 1.00 0.00 N ATOM 167 CA ARG A 14 -2.899 -2.835 -2.451 1.00 0.00 C ATOM 168 C ARG A 14 -3.390 -4.187 -1.884 1.00 0.00 C ATOM 169 O ARG A 14 -4.579 -4.459 -1.842 1.00 0.00 O ATOM 170 CB ARG A 14 -2.783 -2.892 -3.985 1.00 0.00 C ATOM 171 CG ARG A 14 -4.152 -3.215 -4.608 1.00 0.00 C ATOM 172 CD ARG A 14 -5.142 -2.086 -4.294 1.00 0.00 C ATOM 173 NE ARG A 14 -6.347 -2.783 -3.750 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.470 -2.747 -4.397 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.556 -3.272 -5.570 1.00 0.00 N ATOM 176 NH2 ARG A 14 -8.503 -2.186 -3.864 1.00 0.00 N ATOM 177 H ARG A 14 -0.749 -2.585 -2.579 1.00 0.00 H ATOM 178 HA ARG A 14 -3.576 -2.049 -2.162 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.438 -1.937 -4.353 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.074 -3.661 -4.264 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.045 -3.313 -5.679 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.524 -4.141 -4.198 1.00 0.00 H ATOM 183 HD2 ARG A 14 -4.723 -1.410 -3.555 1.00 0.00 H ATOM 184 HD3 ARG A 14 -5.396 -1.546 -5.196 1.00 0.00 H ATOM 185 HE ARG A 14 -6.287 -3.281 -2.899 1.00 0.00 H ATOM 186 HH11 ARG A 14 -6.757 -3.707 -5.976 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.414 -3.232 -6.077 1.00 0.00 H ATOM 188 HH21 ARG A 14 -8.436 -1.782 -2.956 1.00 0.00 H ATOM 189 HH22 ARG A 14 -9.368 -2.153 -4.361 1.00 0.00 H ATOM 190 N ASP A 15 -2.480 -5.023 -1.449 1.00 0.00 N ATOM 191 CA ASP A 15 -2.850 -6.357 -0.882 1.00 0.00 C ATOM 192 C ASP A 15 -3.726 -6.195 0.374 1.00 0.00 C ATOM 193 O ASP A 15 -4.847 -6.669 0.440 1.00 0.00 O ATOM 194 CB ASP A 15 -1.491 -6.968 -0.501 1.00 0.00 C ATOM 195 CG ASP A 15 -1.403 -8.423 -0.953 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.312 -9.177 -0.663 1.00 0.00 O ATOM 197 OD2 ASP A 15 -0.418 -8.763 -1.581 1.00 0.00 O ATOM 198 H ASP A 15 -1.536 -4.774 -1.491 1.00 0.00 H ATOM 199 HA ASP A 15 -3.341 -6.970 -1.619 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.704 -6.400 -0.968 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.371 -6.918 0.572 1.00 0.00 H ATOM 202 N HIS A 16 -3.197 -5.538 1.367 1.00 0.00 N ATOM 203 CA HIS A 16 -3.941 -5.331 2.654 1.00 0.00 C ATOM 204 C HIS A 16 -4.566 -3.920 2.733 1.00 0.00 C ATOM 205 O HIS A 16 -5.515 -3.697 3.469 1.00 0.00 O ATOM 206 CB HIS A 16 -2.858 -5.511 3.722 1.00 0.00 C ATOM 207 CG HIS A 16 -1.851 -4.407 3.592 1.00 0.00 C ATOM 208 ND1 HIS A 16 -2.041 -3.148 4.123 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.659 -4.357 2.932 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.979 -2.399 3.766 1.00 0.00 C ATOM 211 NE2 HIS A 16 -0.107 -3.092 3.042 1.00 0.00 N ATOM 212 H HIS A 16 -2.285 -5.187 1.272 1.00 0.00 H ATOM 213 HA HIS A 16 -4.702 -6.083 2.776 1.00 0.00 H ATOM 214 HB2 HIS A 16 -3.298 -5.496 4.703 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.360 -6.457 3.564 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.803 -2.852 4.668 1.00 0.00 H ATOM 217 HD2 HIS A 16 -0.219 -5.182 2.396 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.862 -1.360 4.005 1.00 0.00 H ATOM 219 N ALA A 17 -4.040 -2.967 2.005 1.00 0.00 N ATOM 220 CA ALA A 17 -4.597 -1.580 2.058 1.00 0.00 C ATOM 221 C ALA A 17 -5.504 -1.318 0.837 1.00 0.00 C ATOM 222 O ALA A 17 -5.049 -1.114 -0.274 1.00 0.00 O ATOM 223 CB ALA A 17 -3.363 -0.668 2.047 1.00 0.00 C ATOM 224 H ALA A 17 -3.268 -3.162 1.429 1.00 0.00 H ATOM 225 HA ALA A 17 -5.154 -1.434 2.974 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.479 -1.255 2.261 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.473 0.103 2.795 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.259 -0.214 1.074 1.00 0.00 H ATOM 229 N ARG A 18 -6.793 -1.333 1.047 1.00 0.00 N ATOM 230 CA ARG A 18 -7.754 -1.101 -0.084 1.00 0.00 C ATOM 231 C ARG A 18 -7.995 0.401 -0.360 1.00 0.00 C ATOM 232 O ARG A 18 -8.896 0.753 -1.092 1.00 0.00 O ATOM 233 CB ARG A 18 -9.060 -1.786 0.361 1.00 0.00 C ATOM 234 CG ARG A 18 -9.554 -1.176 1.681 1.00 0.00 C ATOM 235 CD ARG A 18 -9.684 -2.281 2.736 1.00 0.00 C ATOM 236 NE ARG A 18 -9.208 -1.664 4.007 1.00 0.00 N ATOM 237 CZ ARG A 18 -10.056 -1.367 4.940 1.00 0.00 C ATOM 238 NH1 ARG A 18 -10.642 -2.308 5.598 1.00 0.00 N ATOM 239 NH2 ARG A 18 -10.314 -0.135 5.205 1.00 0.00 N ATOM 240 H ARG A 18 -7.131 -1.508 1.948 1.00 0.00 H ATOM 241 HA ARG A 18 -7.385 -1.579 -0.978 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.817 -1.649 -0.403 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.884 -2.844 0.498 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.850 -0.427 2.025 1.00 0.00 H ATOM 245 HG3 ARG A 18 -10.518 -0.716 1.523 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.720 -2.587 2.828 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.062 -3.125 2.474 1.00 0.00 H ATOM 248 HE ARG A 18 -8.250 -1.484 4.142 1.00 0.00 H ATOM 249 HH11 ARG A 18 -10.446 -3.262 5.387 1.00 0.00 H ATOM 250 HH12 ARG A 18 -11.293 -2.085 6.319 1.00 0.00 H ATOM 251 HH21 ARG A 18 -9.860 0.592 4.695 1.00 0.00 H ATOM 252 HH22 ARG A 18 -10.976 0.096 5.916 1.00 0.00 H ATOM 253 N CYS A 19 -7.209 1.290 0.203 1.00 0.00 N ATOM 254 CA CYS A 19 -7.424 2.757 -0.059 1.00 0.00 C ATOM 255 C CYS A 19 -6.968 3.151 -1.476 1.00 0.00 C ATOM 256 O CYS A 19 -7.442 4.116 -2.036 1.00 0.00 O ATOM 257 CB CYS A 19 -6.596 3.488 1.002 1.00 0.00 C ATOM 258 SG CYS A 19 -4.830 3.206 0.716 1.00 0.00 S ATOM 259 H CYS A 19 -6.479 1.002 0.790 1.00 0.00 H ATOM 260 HA CYS A 19 -8.467 3.006 0.066 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.801 4.542 0.950 1.00 0.00 H ATOM 262 HB3 CYS A 19 -6.864 3.119 1.983 1.00 0.00 H ATOM 263 N CYS A 20 -6.059 2.414 -2.063 1.00 0.00 N ATOM 264 CA CYS A 20 -5.590 2.759 -3.450 1.00 0.00 C ATOM 265 C CYS A 20 -6.501 2.113 -4.507 1.00 0.00 C ATOM 266 O CYS A 20 -6.950 2.763 -5.424 1.00 0.00 O ATOM 267 CB CYS A 20 -4.168 2.198 -3.559 1.00 0.00 C ATOM 268 SG CYS A 20 -2.969 3.457 -3.045 1.00 0.00 S ATOM 269 H CYS A 20 -5.686 1.638 -1.597 1.00 0.00 H ATOM 270 HA CYS A 20 -5.571 3.831 -3.582 1.00 0.00 H ATOM 271 HB2 CYS A 20 -4.072 1.334 -2.921 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.972 1.912 -4.581 1.00 0.00 H HETATM 273 N NH2 A 21 -6.794 0.847 -4.422 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.369 0.436 -5.100 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.440 0.308 -3.687 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 18 HETATM 1 N PCA A 1 5.066 5.480 8.416 1.00 0.00 N HETATM 2 CA PCA A 1 4.974 4.913 7.003 1.00 0.00 C HETATM 3 CB PCA A 1 5.258 3.410 7.158 1.00 0.00 C HETATM 4 CG PCA A 1 5.479 3.168 8.632 1.00 0.00 C HETATM 5 CD PCA A 1 5.333 4.529 9.266 1.00 0.00 C HETATM 6 OE PCA A 1 5.704 4.731 10.397 1.00 0.00 O HETATM 7 C PCA A 1 3.564 5.126 6.425 1.00 0.00 C HETATM 8 O PCA A 1 2.620 5.374 7.152 1.00 0.00 O HETATM 9 H1 PCA A 1 5.827 6.185 8.462 1.00 0.00 H HETATM 10 H2 PCA A 1 4.162 5.924 8.670 1.00 0.00 H HETATM 11 HA PCA A 1 5.722 5.363 6.367 1.00 0.00 H HETATM 12 HB2 PCA A 1 6.143 3.135 6.602 1.00 0.00 H HETATM 13 HB3 PCA A 1 4.409 2.841 6.809 1.00 0.00 H HETATM 14 HG2 PCA A 1 6.471 2.777 8.806 1.00 0.00 H HETATM 15 HG3 PCA A 1 4.732 2.493 9.017 1.00 0.00 H ATOM 16 N ASN A 2 3.413 5.028 5.129 1.00 0.00 N ATOM 17 CA ASN A 2 2.065 5.223 4.494 1.00 0.00 C ATOM 18 C ASN A 2 2.052 4.643 3.067 1.00 0.00 C ATOM 19 O ASN A 2 3.016 4.749 2.335 1.00 0.00 O ATOM 20 CB ASN A 2 1.858 6.748 4.484 1.00 0.00 C ATOM 21 CG ASN A 2 2.539 7.372 3.260 1.00 0.00 C ATOM 22 OD1 ASN A 2 1.985 7.377 2.184 1.00 0.00 O ATOM 23 ND2 ASN A 2 3.717 7.906 3.379 1.00 0.00 N ATOM 24 H ASN A 2 4.190 4.823 4.567 1.00 0.00 H ATOM 25 HA ASN A 2 1.298 4.754 5.094 1.00 0.00 H ATOM 26 HB2 ASN A 2 0.800 6.965 4.454 1.00 0.00 H ATOM 27 HB3 ASN A 2 2.279 7.171 5.383 1.00 0.00 H ATOM 28 HD21 ASN A 2 4.173 7.914 4.244 1.00 0.00 H ATOM 29 HD22 ASN A 2 4.150 8.305 2.595 1.00 0.00 H ATOM 30 N CYS A 3 0.975 4.023 2.671 1.00 0.00 N ATOM 31 CA CYS A 3 0.910 3.435 1.286 1.00 0.00 C ATOM 32 C CYS A 3 0.104 4.331 0.331 1.00 0.00 C ATOM 33 O CYS A 3 0.364 4.371 -0.850 1.00 0.00 O ATOM 34 CB CYS A 3 0.220 2.075 1.453 1.00 0.00 C ATOM 35 SG CYS A 3 1.429 0.740 1.278 1.00 0.00 S ATOM 36 H CYS A 3 0.209 3.939 3.276 1.00 0.00 H ATOM 37 HA CYS A 3 1.901 3.293 0.894 1.00 0.00 H ATOM 38 HB2 CYS A 3 -0.225 2.024 2.434 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.551 1.966 0.704 1.00 0.00 H ATOM 40 N CYS A 4 -0.886 5.033 0.822 1.00 0.00 N ATOM 41 CA CYS A 4 -1.718 5.901 -0.088 1.00 0.00 C ATOM 42 C CYS A 4 -1.428 7.397 0.088 1.00 0.00 C ATOM 43 O CYS A 4 -1.964 8.217 -0.630 1.00 0.00 O ATOM 44 CB CYS A 4 -3.163 5.613 0.309 1.00 0.00 C ATOM 45 SG CYS A 4 -3.884 4.398 -0.826 1.00 0.00 S ATOM 46 H CYS A 4 -1.093 4.979 1.778 1.00 0.00 H ATOM 47 HA CYS A 4 -1.561 5.619 -1.112 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.183 5.223 1.317 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.736 6.530 0.272 1.00 0.00 H ATOM 50 N ASN A 5 -0.572 7.758 1.001 1.00 0.00 N ATOM 51 CA ASN A 5 -0.243 9.207 1.192 1.00 0.00 C ATOM 52 C ASN A 5 1.012 9.578 0.381 1.00 0.00 C ATOM 53 O ASN A 5 1.654 10.581 0.629 1.00 0.00 O ATOM 54 CB ASN A 5 -0.002 9.375 2.694 1.00 0.00 C ATOM 55 CG ASN A 5 -1.183 10.105 3.329 1.00 0.00 C ATOM 56 OD1 ASN A 5 -2.226 9.519 3.563 1.00 0.00 O ATOM 57 ND2 ASN A 5 -1.074 11.362 3.623 1.00 0.00 N ATOM 58 H ASN A 5 -0.129 7.081 1.539 1.00 0.00 H ATOM 59 HA ASN A 5 -1.069 9.819 0.887 1.00 0.00 H ATOM 60 HB2 ASN A 5 0.106 8.404 3.156 1.00 0.00 H ATOM 61 HB3 ASN A 5 0.899 9.952 2.848 1.00 0.00 H ATOM 62 HD21 ASN A 5 -0.240 11.840 3.433 1.00 0.00 H ATOM 63 HD22 ASN A 5 -1.826 11.832 4.041 1.00 0.00 H ATOM 64 N GLY A 6 1.343 8.769 -0.591 1.00 0.00 N ATOM 65 CA GLY A 6 2.540 9.032 -1.447 1.00 0.00 C ATOM 66 C GLY A 6 3.451 7.795 -1.497 1.00 0.00 C ATOM 67 O GLY A 6 4.654 7.919 -1.591 1.00 0.00 O ATOM 68 H GLY A 6 0.794 7.985 -0.763 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.220 9.279 -2.446 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.097 9.858 -1.035 1.00 0.00 H ATOM 71 N GLY A 7 2.900 6.603 -1.433 1.00 0.00 N ATOM 72 CA GLY A 7 3.773 5.379 -1.471 1.00 0.00 C ATOM 73 C GLY A 7 2.958 4.150 -1.869 1.00 0.00 C ATOM 74 O GLY A 7 2.965 3.150 -1.187 1.00 0.00 O ATOM 75 H GLY A 7 1.924 6.510 -1.348 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.567 5.527 -2.186 1.00 0.00 H ATOM 77 HA3 GLY A 7 4.194 5.215 -0.496 1.00 0.00 H ATOM 78 N CYS A 8 2.257 4.218 -2.965 1.00 0.00 N ATOM 79 CA CYS A 8 1.423 3.046 -3.407 1.00 0.00 C ATOM 80 C CYS A 8 2.026 2.348 -4.629 1.00 0.00 C ATOM 81 O CYS A 8 1.339 1.656 -5.358 1.00 0.00 O ATOM 82 CB CYS A 8 0.083 3.651 -3.772 1.00 0.00 C ATOM 83 SG CYS A 8 -1.241 2.776 -2.894 1.00 0.00 S ATOM 84 H CYS A 8 2.266 5.039 -3.495 1.00 0.00 H ATOM 85 HA CYS A 8 1.300 2.343 -2.602 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.083 4.691 -3.493 1.00 0.00 H ATOM 87 HB3 CYS A 8 -0.070 3.566 -4.837 1.00 0.00 H ATOM 88 N SER A 9 3.296 2.521 -4.848 1.00 0.00 N ATOM 89 CA SER A 9 3.958 1.865 -6.021 1.00 0.00 C ATOM 90 C SER A 9 4.257 0.385 -5.723 1.00 0.00 C ATOM 91 O SER A 9 4.439 -0.409 -6.623 1.00 0.00 O ATOM 92 CB SER A 9 5.258 2.634 -6.216 1.00 0.00 C ATOM 93 OG SER A 9 5.400 2.979 -7.596 1.00 0.00 O ATOM 94 H SER A 9 3.820 3.080 -4.241 1.00 0.00 H ATOM 95 HA SER A 9 3.342 1.954 -6.898 1.00 0.00 H ATOM 96 HB2 SER A 9 5.238 3.529 -5.620 1.00 0.00 H ATOM 97 HB3 SER A 9 6.085 2.016 -5.896 1.00 0.00 H ATOM 98 HG SER A 9 6.260 3.412 -7.709 1.00 0.00 H ATOM 99 N SER A 10 4.311 0.008 -4.467 1.00 0.00 N ATOM 100 CA SER A 10 4.599 -1.423 -4.115 1.00 0.00 C ATOM 101 C SER A 10 3.323 -2.268 -4.185 1.00 0.00 C ATOM 102 O SER A 10 2.217 -1.755 -4.209 1.00 0.00 O ATOM 103 CB SER A 10 5.134 -1.401 -2.687 1.00 0.00 C ATOM 104 OG SER A 10 5.603 -2.709 -2.346 1.00 0.00 O ATOM 105 H SER A 10 4.160 0.658 -3.756 1.00 0.00 H ATOM 106 HA SER A 10 5.346 -1.829 -4.775 1.00 0.00 H ATOM 107 HB2 SER A 10 5.948 -0.695 -2.612 1.00 0.00 H ATOM 108 HB3 SER A 10 4.340 -1.107 -2.015 1.00 0.00 H ATOM 109 HG SER A 10 6.530 -2.636 -2.072 1.00 0.00 H ATOM 110 N LYS A 11 3.484 -3.557 -4.205 1.00 0.00 N ATOM 111 CA LYS A 11 2.304 -4.481 -4.267 1.00 0.00 C ATOM 112 C LYS A 11 1.668 -4.646 -2.884 1.00 0.00 C ATOM 113 O LYS A 11 0.468 -4.777 -2.763 1.00 0.00 O ATOM 114 CB LYS A 11 2.876 -5.821 -4.758 1.00 0.00 C ATOM 115 CG LYS A 11 2.925 -5.836 -6.288 1.00 0.00 C ATOM 116 CD LYS A 11 1.845 -6.769 -6.845 1.00 0.00 C ATOM 117 CE LYS A 11 2.497 -7.853 -7.708 1.00 0.00 C ATOM 118 NZ LYS A 11 1.350 -8.675 -8.185 1.00 0.00 N ATOM 119 H LYS A 11 4.393 -3.920 -4.163 1.00 0.00 H ATOM 120 HA LYS A 11 1.575 -4.115 -4.974 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.876 -5.946 -4.364 1.00 0.00 H ATOM 122 HB3 LYS A 11 2.248 -6.628 -4.406 1.00 0.00 H ATOM 123 HG2 LYS A 11 2.764 -4.837 -6.667 1.00 0.00 H ATOM 124 HG3 LYS A 11 3.897 -6.186 -6.608 1.00 0.00 H ATOM 125 HD2 LYS A 11 1.311 -7.233 -6.027 1.00 0.00 H ATOM 126 HD3 LYS A 11 1.157 -6.199 -7.449 1.00 0.00 H ATOM 127 HE2 LYS A 11 3.025 -7.405 -8.544 1.00 0.00 H ATOM 128 HE3 LYS A 11 3.169 -8.458 -7.115 1.00 0.00 H ATOM 129 HZ1 LYS A 11 0.764 -8.112 -8.836 1.00 0.00 H ATOM 130 HZ2 LYS A 11 0.771 -8.973 -7.373 1.00 0.00 H ATOM 131 HZ3 LYS A 11 1.707 -9.516 -8.682 1.00 0.00 H ATOM 132 N TRP A 12 2.464 -4.628 -1.841 1.00 0.00 N ATOM 133 CA TRP A 12 1.915 -4.778 -0.447 1.00 0.00 C ATOM 134 C TRP A 12 0.818 -3.726 -0.169 1.00 0.00 C ATOM 135 O TRP A 12 -0.176 -4.010 0.463 1.00 0.00 O ATOM 136 CB TRP A 12 3.135 -4.570 0.475 1.00 0.00 C ATOM 137 CG TRP A 12 2.731 -4.647 1.915 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.650 -3.587 2.749 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.347 -5.814 2.704 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.262 -4.030 4.002 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.054 -5.389 4.020 1.00 0.00 C ATOM 142 CE3 TRP A 12 2.221 -7.183 2.404 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.661 -6.289 5.007 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.823 -8.087 3.402 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.541 -7.640 4.693 1.00 0.00 C ATOM 146 H TRP A 12 3.432 -4.514 -1.977 1.00 0.00 H ATOM 147 HA TRP A 12 1.511 -5.769 -0.307 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.874 -5.331 0.274 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.562 -3.598 0.278 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.849 -2.559 2.485 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.136 -3.464 4.784 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.434 -7.536 1.406 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.446 -5.936 6.013 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.730 -9.136 3.171 1.00 0.00 H ATOM 155 HH2 TRP A 12 1.234 -8.345 5.457 1.00 0.00 H ATOM 156 N CYS A 13 0.998 -2.519 -0.636 1.00 0.00 N ATOM 157 CA CYS A 13 -0.026 -1.443 -0.392 1.00 0.00 C ATOM 158 C CYS A 13 -1.454 -1.937 -0.662 1.00 0.00 C ATOM 159 O CYS A 13 -2.295 -1.906 0.202 1.00 0.00 O ATOM 160 CB CYS A 13 0.335 -0.309 -1.352 1.00 0.00 C ATOM 161 SG CYS A 13 1.763 0.600 -0.708 1.00 0.00 S ATOM 162 H CYS A 13 1.810 -2.320 -1.140 1.00 0.00 H ATOM 163 HA CYS A 13 0.046 -1.095 0.617 1.00 0.00 H ATOM 164 HB2 CYS A 13 0.581 -0.717 -2.322 1.00 0.00 H ATOM 165 HB3 CYS A 13 -0.505 0.359 -1.445 1.00 0.00 H ATOM 166 N ARG A 14 -1.732 -2.394 -1.852 1.00 0.00 N ATOM 167 CA ARG A 14 -3.119 -2.887 -2.161 1.00 0.00 C ATOM 168 C ARG A 14 -3.453 -4.159 -1.355 1.00 0.00 C ATOM 169 O ARG A 14 -4.607 -4.500 -1.189 1.00 0.00 O ATOM 170 CB ARG A 14 -3.115 -3.192 -3.668 1.00 0.00 C ATOM 171 CG ARG A 14 -4.485 -2.853 -4.265 1.00 0.00 C ATOM 172 CD ARG A 14 -5.300 -4.136 -4.450 1.00 0.00 C ATOM 173 NE ARG A 14 -6.171 -4.215 -3.236 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.435 -4.435 -3.361 1.00 0.00 C ATOM 175 NH1 ARG A 14 -8.239 -3.452 -3.587 1.00 0.00 N ATOM 176 NH2 ARG A 14 -7.890 -5.635 -3.250 1.00 0.00 N ATOM 177 H ARG A 14 -1.038 -2.415 -2.537 1.00 0.00 H ATOM 178 HA ARG A 14 -3.843 -2.119 -1.947 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.354 -2.600 -4.153 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.906 -4.241 -3.823 1.00 0.00 H ATOM 181 HG2 ARG A 14 -5.014 -2.181 -3.602 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.350 -2.377 -5.224 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.901 -4.065 -5.350 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.652 -4.998 -4.499 1.00 0.00 H ATOM 185 HE ARG A 14 -5.777 -4.114 -2.339 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.878 -2.530 -3.668 1.00 0.00 H ATOM 187 HH12 ARG A 14 -9.218 -3.615 -3.697 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.262 -6.391 -3.073 1.00 0.00 H ATOM 189 HH22 ARG A 14 -8.864 -5.809 -3.351 1.00 0.00 H ATOM 190 N ASP A 15 -2.457 -4.852 -0.864 1.00 0.00 N ATOM 191 CA ASP A 15 -2.696 -6.100 -0.069 1.00 0.00 C ATOM 192 C ASP A 15 -3.425 -5.779 1.249 1.00 0.00 C ATOM 193 O ASP A 15 -4.468 -6.339 1.561 1.00 0.00 O ATOM 194 CB ASP A 15 -1.285 -6.609 0.229 1.00 0.00 C ATOM 195 CG ASP A 15 -1.224 -8.120 0.042 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.086 -8.559 -1.083 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.329 -8.821 1.032 1.00 0.00 O ATOM 198 H ASP A 15 -1.537 -4.552 -1.017 1.00 0.00 H ATOM 199 HA ASP A 15 -3.243 -6.828 -0.644 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.586 -6.131 -0.440 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.029 -6.358 1.250 1.00 0.00 H ATOM 202 N HIS A 16 -2.859 -4.903 2.028 1.00 0.00 N ATOM 203 CA HIS A 16 -3.462 -4.529 3.348 1.00 0.00 C ATOM 204 C HIS A 16 -4.194 -3.173 3.261 1.00 0.00 C ATOM 205 O HIS A 16 -5.021 -2.853 4.095 1.00 0.00 O ATOM 206 CB HIS A 16 -2.248 -4.444 4.283 1.00 0.00 C ATOM 207 CG HIS A 16 -1.355 -3.333 3.830 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.599 -2.006 4.127 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.240 -3.342 3.052 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.640 -1.279 3.519 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.214 -2.046 2.853 1.00 0.00 N ATOM 212 H HIS A 16 -2.013 -4.497 1.748 1.00 0.00 H ATOM 213 HA HIS A 16 -4.136 -5.296 3.691 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.574 -4.268 5.296 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.700 -5.374 4.237 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.327 -1.662 4.688 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.221 -4.232 2.649 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.583 -0.209 3.539 1.00 0.00 H ATOM 219 N ALA A 17 -3.887 -2.370 2.268 1.00 0.00 N ATOM 220 CA ALA A 17 -4.553 -1.037 2.134 1.00 0.00 C ATOM 221 C ALA A 17 -5.554 -1.027 0.957 1.00 0.00 C ATOM 222 O ALA A 17 -5.186 -1.026 -0.202 1.00 0.00 O ATOM 223 CB ALA A 17 -3.404 -0.063 1.884 1.00 0.00 C ATOM 224 H ALA A 17 -3.206 -2.640 1.611 1.00 0.00 H ATOM 225 HA ALA A 17 -5.055 -0.779 3.054 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.664 0.908 2.277 1.00 0.00 H ATOM 227 HB2 ALA A 17 -3.222 0.015 0.823 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.517 -0.427 2.376 1.00 0.00 H ATOM 229 N ARG A 18 -6.827 -1.009 1.257 1.00 0.00 N ATOM 230 CA ARG A 18 -7.868 -0.999 0.178 1.00 0.00 C ATOM 231 C ARG A 18 -8.083 0.414 -0.423 1.00 0.00 C ATOM 232 O ARG A 18 -9.036 0.640 -1.146 1.00 0.00 O ATOM 233 CB ARG A 18 -9.142 -1.495 0.877 1.00 0.00 C ATOM 234 CG ARG A 18 -9.601 -0.484 1.944 1.00 0.00 C ATOM 235 CD ARG A 18 -9.739 -1.184 3.302 1.00 0.00 C ATOM 236 NE ARG A 18 -8.903 -0.367 4.237 1.00 0.00 N ATOM 237 CZ ARG A 18 -9.437 0.582 4.945 1.00 0.00 C ATOM 238 NH1 ARG A 18 -10.169 1.488 4.381 1.00 0.00 N ATOM 239 NH2 ARG A 18 -9.234 0.624 6.218 1.00 0.00 N ATOM 240 H ARG A 18 -7.098 -1.009 2.196 1.00 0.00 H ATOM 241 HA ARG A 18 -7.595 -1.693 -0.603 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.921 -1.616 0.141 1.00 0.00 H ATOM 243 HB3 ARG A 18 -8.944 -2.447 1.349 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.877 0.319 2.022 1.00 0.00 H ATOM 245 HG3 ARG A 18 -10.557 -0.071 1.657 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.777 -1.185 3.618 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.364 -2.198 3.247 1.00 0.00 H ATOM 248 HE ARG A 18 -7.941 -0.559 4.327 1.00 0.00 H ATOM 249 HH11 ARG A 18 -10.322 1.456 3.396 1.00 0.00 H ATOM 250 HH12 ARG A 18 -10.579 2.219 4.923 1.00 0.00 H ATOM 251 HH21 ARG A 18 -8.667 -0.072 6.657 1.00 0.00 H ATOM 252 HH22 ARG A 18 -9.640 1.350 6.767 1.00 0.00 H ATOM 253 N CYS A 19 -7.217 1.361 -0.135 1.00 0.00 N ATOM 254 CA CYS A 19 -7.399 2.747 -0.697 1.00 0.00 C ATOM 255 C CYS A 19 -6.838 2.863 -2.126 1.00 0.00 C ATOM 256 O CYS A 19 -7.186 3.773 -2.857 1.00 0.00 O ATOM 257 CB CYS A 19 -6.626 3.669 0.251 1.00 0.00 C ATOM 258 SG CYS A 19 -4.898 3.134 0.378 1.00 0.00 S ATOM 259 H CYS A 19 -6.457 1.169 0.443 1.00 0.00 H ATOM 260 HA CYS A 19 -8.444 3.015 -0.690 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.660 4.681 -0.126 1.00 0.00 H ATOM 262 HB3 CYS A 19 -7.084 3.638 1.230 1.00 0.00 H ATOM 263 N CYS A 20 -5.975 1.966 -2.529 1.00 0.00 N ATOM 264 CA CYS A 20 -5.400 2.047 -3.912 1.00 0.00 C ATOM 265 C CYS A 20 -6.106 1.064 -4.854 1.00 0.00 C ATOM 266 O CYS A 20 -6.150 -0.125 -4.603 1.00 0.00 O ATOM 267 CB CYS A 20 -3.927 1.672 -3.766 1.00 0.00 C ATOM 268 SG CYS A 20 -2.902 3.151 -3.984 1.00 0.00 S ATOM 269 H CYS A 20 -5.704 1.246 -1.929 1.00 0.00 H ATOM 270 HA CYS A 20 -5.487 3.053 -4.290 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.756 1.254 -2.785 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.670 0.944 -4.518 1.00 0.00 H HETATM 273 N NH2 A 21 -6.650 1.505 -5.946 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.093 0.882 -6.556 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -6.620 2.460 -6.157 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 19 HETATM 1 N PCA A 1 5.313 5.160 7.001 1.00 0.00 N HETATM 2 CA PCA A 1 4.604 6.420 6.532 1.00 0.00 C HETATM 3 CB PCA A 1 5.508 6.976 5.416 1.00 0.00 C HETATM 4 CG PCA A 1 6.795 6.189 5.489 1.00 0.00 C HETATM 5 CD PCA A 1 6.548 5.171 6.575 1.00 0.00 C HETATM 6 OE PCA A 1 7.474 4.727 7.215 1.00 0.00 O HETATM 7 C PCA A 1 3.197 6.098 5.986 1.00 0.00 C HETATM 8 O PCA A 1 2.766 4.959 5.969 1.00 0.00 O HETATM 9 H1 PCA A 1 5.328 5.123 8.035 1.00 0.00 H HETATM 10 H2 PCA A 1 4.816 4.323 6.624 1.00 0.00 H HETATM 11 HA PCA A 1 4.537 7.134 7.340 1.00 0.00 H HETATM 12 HB2 PCA A 1 5.708 8.024 5.582 1.00 0.00 H HETATM 13 HB3 PCA A 1 5.039 6.831 4.454 1.00 0.00 H HETATM 14 HG2 PCA A 1 7.620 6.830 5.763 1.00 0.00 H HETATM 15 HG3 PCA A 1 6.990 5.700 4.543 1.00 0.00 H ATOM 16 N ASN A 2 2.479 7.094 5.540 1.00 0.00 N ATOM 17 CA ASN A 2 1.098 6.863 4.999 1.00 0.00 C ATOM 18 C ASN A 2 1.162 6.214 3.595 1.00 0.00 C ATOM 19 O ASN A 2 1.682 6.784 2.656 1.00 0.00 O ATOM 20 CB ASN A 2 0.476 8.267 4.931 1.00 0.00 C ATOM 21 CG ASN A 2 0.691 9.010 6.258 1.00 0.00 C ATOM 22 OD1 ASN A 2 1.760 9.523 6.517 1.00 0.00 O ATOM 23 ND2 ASN A 2 -0.284 9.095 7.110 1.00 0.00 N ATOM 24 H ASN A 2 2.844 8.006 5.565 1.00 0.00 H ATOM 25 HA ASN A 2 0.525 6.242 5.673 1.00 0.00 H ATOM 26 HB2 ASN A 2 0.941 8.822 4.134 1.00 0.00 H ATOM 27 HB3 ASN A 2 -0.582 8.183 4.737 1.00 0.00 H ATOM 28 HD21 ASN A 2 -1.150 8.690 6.908 1.00 0.00 H ATOM 29 HD22 ASN A 2 -0.151 9.571 7.955 1.00 0.00 H ATOM 30 N CYS A 3 0.638 5.022 3.456 1.00 0.00 N ATOM 31 CA CYS A 3 0.670 4.311 2.127 1.00 0.00 C ATOM 32 C CYS A 3 -0.053 5.108 1.029 1.00 0.00 C ATOM 33 O CYS A 3 0.448 5.254 -0.063 1.00 0.00 O ATOM 34 CB CYS A 3 -0.035 2.971 2.370 1.00 0.00 C ATOM 35 SG CYS A 3 -0.228 2.087 0.800 1.00 0.00 S ATOM 36 H CYS A 3 0.232 4.586 4.230 1.00 0.00 H ATOM 37 HA CYS A 3 1.686 4.135 1.834 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.556 2.374 3.046 1.00 0.00 H ATOM 39 HB3 CYS A 3 -1.008 3.147 2.805 1.00 0.00 H ATOM 40 N CYS A 4 -1.224 5.621 1.294 1.00 0.00 N ATOM 41 CA CYS A 4 -1.954 6.395 0.225 1.00 0.00 C ATOM 42 C CYS A 4 -1.381 7.806 0.037 1.00 0.00 C ATOM 43 O CYS A 4 -1.810 8.543 -0.827 1.00 0.00 O ATOM 44 CB CYS A 4 -3.399 6.469 0.694 1.00 0.00 C ATOM 45 SG CYS A 4 -4.270 4.979 0.150 1.00 0.00 S ATOM 46 H CYS A 4 -1.625 5.495 2.180 1.00 0.00 H ATOM 47 HA CYS A 4 -1.900 5.859 -0.711 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.420 6.534 1.774 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.868 7.342 0.269 1.00 0.00 H ATOM 50 N ASN A 5 -0.407 8.181 0.814 1.00 0.00 N ATOM 51 CA ASN A 5 0.204 9.539 0.649 1.00 0.00 C ATOM 52 C ASN A 5 1.454 9.439 -0.242 1.00 0.00 C ATOM 53 O ASN A 5 2.318 10.294 -0.220 1.00 0.00 O ATOM 54 CB ASN A 5 0.566 9.996 2.069 1.00 0.00 C ATOM 55 CG ASN A 5 0.312 11.496 2.210 1.00 0.00 C ATOM 56 OD1 ASN A 5 -0.621 11.904 2.868 1.00 0.00 O ATOM 57 ND2 ASN A 5 1.096 12.336 1.611 1.00 0.00 N ATOM 58 H ASN A 5 -0.060 7.567 1.485 1.00 0.00 H ATOM 59 HA ASN A 5 -0.511 10.217 0.211 1.00 0.00 H ATOM 60 HB2 ASN A 5 -0.042 9.464 2.784 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.610 9.792 2.258 1.00 0.00 H ATOM 62 HD21 ASN A 5 1.843 12.007 1.072 1.00 0.00 H ATOM 63 HD22 ASN A 5 0.941 13.297 1.700 1.00 0.00 H ATOM 64 N GLY A 6 1.540 8.390 -1.020 1.00 0.00 N ATOM 65 CA GLY A 6 2.716 8.193 -1.930 1.00 0.00 C ATOM 66 C GLY A 6 3.402 6.849 -1.641 1.00 0.00 C ATOM 67 O GLY A 6 4.599 6.714 -1.805 1.00 0.00 O ATOM 68 H GLY A 6 0.827 7.730 -1.006 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.385 8.207 -2.957 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.420 8.991 -1.774 1.00 0.00 H ATOM 71 N GLY A 7 2.661 5.845 -1.218 1.00 0.00 N ATOM 72 CA GLY A 7 3.296 4.514 -0.924 1.00 0.00 C ATOM 73 C GLY A 7 2.613 3.402 -1.729 1.00 0.00 C ATOM 74 O GLY A 7 2.460 2.297 -1.262 1.00 0.00 O ATOM 75 H GLY A 7 1.691 5.962 -1.090 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.343 4.551 -1.185 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.201 4.298 0.128 1.00 0.00 H ATOM 78 N CYS A 8 2.207 3.683 -2.940 1.00 0.00 N ATOM 79 CA CYS A 8 1.534 2.624 -3.772 1.00 0.00 C ATOM 80 C CYS A 8 2.488 2.081 -4.839 1.00 0.00 C ATOM 81 O CYS A 8 2.081 1.443 -5.790 1.00 0.00 O ATOM 82 CB CYS A 8 0.338 3.322 -4.416 1.00 0.00 C ATOM 83 SG CYS A 8 -1.135 2.271 -4.275 1.00 0.00 S ATOM 84 H CYS A 8 2.346 4.582 -3.304 1.00 0.00 H ATOM 85 HA CYS A 8 1.194 1.817 -3.143 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.168 4.259 -3.916 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.548 3.506 -5.460 1.00 0.00 H ATOM 88 N SER A 9 3.763 2.308 -4.677 1.00 0.00 N ATOM 89 CA SER A 9 4.759 1.782 -5.671 1.00 0.00 C ATOM 90 C SER A 9 4.858 0.256 -5.560 1.00 0.00 C ATOM 91 O SER A 9 5.117 -0.433 -6.531 1.00 0.00 O ATOM 92 CB SER A 9 6.089 2.430 -5.291 1.00 0.00 C ATOM 93 OG SER A 9 6.796 2.762 -6.478 1.00 0.00 O ATOM 94 H SER A 9 4.069 2.816 -3.897 1.00 0.00 H ATOM 95 HA SER A 9 4.483 2.067 -6.673 1.00 0.00 H ATOM 96 HB2 SER A 9 5.908 3.324 -4.719 1.00 0.00 H ATOM 97 HB3 SER A 9 6.671 1.734 -4.697 1.00 0.00 H ATOM 98 HG SER A 9 6.721 3.714 -6.623 1.00 0.00 H ATOM 99 N SER A 10 4.633 -0.277 -4.381 1.00 0.00 N ATOM 100 CA SER A 10 4.696 -1.762 -4.195 1.00 0.00 C ATOM 101 C SER A 10 3.305 -2.381 -4.315 1.00 0.00 C ATOM 102 O SER A 10 2.296 -1.711 -4.238 1.00 0.00 O ATOM 103 CB SER A 10 5.254 -1.989 -2.789 1.00 0.00 C ATOM 104 OG SER A 10 4.873 -3.284 -2.327 1.00 0.00 O ATOM 105 H SER A 10 4.410 0.295 -3.621 1.00 0.00 H ATOM 106 HA SER A 10 5.358 -2.203 -4.921 1.00 0.00 H ATOM 107 HB2 SER A 10 6.328 -1.926 -2.817 1.00 0.00 H ATOM 108 HB3 SER A 10 4.863 -1.233 -2.121 1.00 0.00 H ATOM 109 HG SER A 10 5.658 -3.720 -1.969 1.00 0.00 H ATOM 110 N LYS A 11 3.260 -3.663 -4.492 1.00 0.00 N ATOM 111 CA LYS A 11 1.948 -4.374 -4.616 1.00 0.00 C ATOM 112 C LYS A 11 1.332 -4.651 -3.234 1.00 0.00 C ATOM 113 O LYS A 11 0.123 -4.650 -3.083 1.00 0.00 O ATOM 114 CB LYS A 11 2.270 -5.685 -5.333 1.00 0.00 C ATOM 115 CG LYS A 11 2.472 -5.419 -6.827 1.00 0.00 C ATOM 116 CD LYS A 11 2.387 -6.740 -7.604 1.00 0.00 C ATOM 117 CE LYS A 11 3.734 -7.041 -8.271 1.00 0.00 C ATOM 118 NZ LYS A 11 3.382 -7.576 -9.619 1.00 0.00 N ATOM 119 H LYS A 11 4.099 -4.167 -4.534 1.00 0.00 H ATOM 120 HA LYS A 11 1.260 -3.791 -5.214 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.169 -6.111 -4.913 1.00 0.00 H ATOM 122 HB3 LYS A 11 1.449 -6.375 -5.199 1.00 0.00 H ATOM 123 HG2 LYS A 11 1.701 -4.744 -7.179 1.00 0.00 H ATOM 124 HG3 LYS A 11 3.441 -4.968 -6.987 1.00 0.00 H ATOM 125 HD2 LYS A 11 2.134 -7.540 -6.926 1.00 0.00 H ATOM 126 HD3 LYS A 11 1.621 -6.658 -8.362 1.00 0.00 H ATOM 127 HE2 LYS A 11 4.321 -6.132 -8.363 1.00 0.00 H ATOM 128 HE3 LYS A 11 4.277 -7.782 -7.706 1.00 0.00 H ATOM 129 HZ1 LYS A 11 4.213 -8.034 -10.039 1.00 0.00 H ATOM 130 HZ2 LYS A 11 3.074 -6.794 -10.236 1.00 0.00 H ATOM 131 HZ3 LYS A 11 2.612 -8.270 -9.529 1.00 0.00 H ATOM 132 N TRP A 12 2.148 -4.890 -2.229 1.00 0.00 N ATOM 133 CA TRP A 12 1.593 -5.181 -0.860 1.00 0.00 C ATOM 134 C TRP A 12 0.640 -4.068 -0.402 1.00 0.00 C ATOM 135 O TRP A 12 -0.458 -4.333 0.035 1.00 0.00 O ATOM 136 CB TRP A 12 2.809 -5.270 0.065 1.00 0.00 C ATOM 137 CG TRP A 12 2.368 -5.695 1.438 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.374 -4.902 2.539 1.00 0.00 C ATOM 139 CD2 TRP A 12 1.835 -6.983 1.873 1.00 0.00 C ATOM 140 NE1 TRP A 12 1.899 -5.626 3.619 1.00 0.00 N ATOM 141 CE2 TRP A 12 1.556 -6.908 3.259 1.00 0.00 C ATOM 142 CE3 TRP A 12 1.571 -8.197 1.207 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.036 -7.998 3.958 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.046 -9.291 1.911 1.00 0.00 C ATOM 145 CH2 TRP A 12 0.777 -9.190 3.279 1.00 0.00 C ATOM 146 H TRP A 12 3.117 -4.886 -2.378 1.00 0.00 H ATOM 147 HA TRP A 12 1.073 -6.122 -0.865 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.508 -5.996 -0.325 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.285 -4.304 0.125 1.00 0.00 H ATOM 150 HD1 TRP A 12 2.687 -3.870 2.567 1.00 0.00 H ATOM 151 HE1 TRP A 12 1.810 -5.289 4.531 1.00 0.00 H ATOM 152 HE3 TRP A 12 1.774 -8.288 0.153 1.00 0.00 H ATOM 153 HZ2 TRP A 12 0.832 -7.924 5.012 1.00 0.00 H ATOM 154 HZ3 TRP A 12 0.845 -10.217 1.395 1.00 0.00 H ATOM 155 HH2 TRP A 12 0.370 -10.029 3.813 1.00 0.00 H ATOM 156 N CYS A 13 1.043 -2.825 -0.507 1.00 0.00 N ATOM 157 CA CYS A 13 0.136 -1.697 -0.073 1.00 0.00 C ATOM 158 C CYS A 13 -1.265 -1.851 -0.690 1.00 0.00 C ATOM 159 O CYS A 13 -2.257 -1.533 -0.075 1.00 0.00 O ATOM 160 CB CYS A 13 0.803 -0.409 -0.556 1.00 0.00 C ATOM 161 SG CYS A 13 1.169 0.635 0.879 1.00 0.00 S ATOM 162 H CYS A 13 1.934 -2.635 -0.866 1.00 0.00 H ATOM 163 HA CYS A 13 0.062 -1.680 1.003 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.718 -0.644 -1.073 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.135 0.119 -1.224 1.00 0.00 H ATOM 166 N ARG A 14 -1.353 -2.356 -1.890 1.00 0.00 N ATOM 167 CA ARG A 14 -2.693 -2.563 -2.533 1.00 0.00 C ATOM 168 C ARG A 14 -3.337 -3.871 -2.033 1.00 0.00 C ATOM 169 O ARG A 14 -4.541 -4.022 -2.041 1.00 0.00 O ATOM 170 CB ARG A 14 -2.394 -2.645 -4.033 1.00 0.00 C ATOM 171 CG ARG A 14 -3.481 -1.906 -4.817 1.00 0.00 C ATOM 172 CD ARG A 14 -4.710 -2.811 -4.989 1.00 0.00 C ATOM 173 NE ARG A 14 -5.772 -2.200 -4.131 1.00 0.00 N ATOM 174 CZ ARG A 14 -6.849 -2.858 -3.873 1.00 0.00 C ATOM 175 NH1 ARG A 14 -6.839 -3.770 -2.978 1.00 0.00 N ATOM 176 NH2 ARG A 14 -7.931 -2.591 -4.515 1.00 0.00 N ATOM 177 H ARG A 14 -0.538 -2.622 -2.364 1.00 0.00 H ATOM 178 HA ARG A 14 -3.347 -1.730 -2.328 1.00 0.00 H ATOM 179 HB2 ARG A 14 -1.431 -2.192 -4.236 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.374 -3.677 -4.337 1.00 0.00 H ATOM 181 HG2 ARG A 14 -3.763 -1.013 -4.282 1.00 0.00 H ATOM 182 HG3 ARG A 14 -3.098 -1.634 -5.792 1.00 0.00 H ATOM 183 HD2 ARG A 14 -5.024 -2.819 -6.021 1.00 0.00 H ATOM 184 HD3 ARG A 14 -4.495 -3.818 -4.650 1.00 0.00 H ATOM 185 HE ARG A 14 -5.653 -1.296 -3.759 1.00 0.00 H ATOM 186 HH11 ARG A 14 -5.982 -3.973 -2.491 1.00 0.00 H ATOM 187 HH12 ARG A 14 -7.669 -4.269 -2.759 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.931 -1.875 -5.207 1.00 0.00 H ATOM 189 HH22 ARG A 14 -8.766 -3.100 -4.327 1.00 0.00 H ATOM 190 N ASP A 15 -2.538 -4.819 -1.614 1.00 0.00 N ATOM 191 CA ASP A 15 -3.067 -6.138 -1.128 1.00 0.00 C ATOM 192 C ASP A 15 -3.842 -6.012 0.196 1.00 0.00 C ATOM 193 O ASP A 15 -5.011 -6.346 0.288 1.00 0.00 O ATOM 194 CB ASP A 15 -1.796 -6.958 -0.899 1.00 0.00 C ATOM 195 CG ASP A 15 -1.992 -8.374 -1.422 1.00 0.00 C ATOM 196 OD1 ASP A 15 -2.800 -9.087 -0.856 1.00 0.00 O ATOM 197 OD2 ASP A 15 -1.337 -8.721 -2.387 1.00 0.00 O ATOM 198 H ASP A 15 -1.567 -4.674 -1.629 1.00 0.00 H ATOM 199 HA ASP A 15 -3.677 -6.612 -1.881 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.972 -6.488 -1.417 1.00 0.00 H ATOM 201 HB3 ASP A 15 -1.577 -6.992 0.158 1.00 0.00 H ATOM 202 N HIS A 16 -3.180 -5.567 1.225 1.00 0.00 N ATOM 203 CA HIS A 16 -3.834 -5.440 2.568 1.00 0.00 C ATOM 204 C HIS A 16 -4.485 -4.056 2.747 1.00 0.00 C ATOM 205 O HIS A 16 -5.432 -3.903 3.506 1.00 0.00 O ATOM 206 CB HIS A 16 -2.680 -5.648 3.564 1.00 0.00 C ATOM 207 CG HIS A 16 -1.675 -4.551 3.387 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.866 -3.273 3.865 1.00 0.00 N ATOM 209 CD2 HIS A 16 -0.487 -4.528 2.722 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.814 -2.538 3.469 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.060 -3.255 2.774 1.00 0.00 N ATOM 212 H HIS A 16 -2.233 -5.333 1.117 1.00 0.00 H ATOM 213 HA HIS A 16 -4.569 -6.217 2.694 1.00 0.00 H ATOM 214 HB2 HIS A 16 -3.049 -5.647 4.574 1.00 0.00 H ATOM 215 HB3 HIS A 16 -2.197 -6.594 3.361 1.00 0.00 H ATOM 216 HD1 HIS A 16 -2.630 -2.961 4.394 1.00 0.00 H ATOM 217 HD2 HIS A 16 -0.045 -5.371 2.215 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.706 -1.492 3.654 1.00 0.00 H ATOM 219 N ALA A 17 -3.987 -3.049 2.076 1.00 0.00 N ATOM 220 CA ALA A 17 -4.572 -1.681 2.226 1.00 0.00 C ATOM 221 C ALA A 17 -5.521 -1.360 1.057 1.00 0.00 C ATOM 222 O ALA A 17 -5.102 -1.061 -0.048 1.00 0.00 O ATOM 223 CB ALA A 17 -3.359 -0.750 2.232 1.00 0.00 C ATOM 224 H ALA A 17 -3.222 -3.190 1.478 1.00 0.00 H ATOM 225 HA ALA A 17 -5.102 -1.599 3.163 1.00 0.00 H ATOM 226 HB1 ALA A 17 -3.399 -0.105 1.367 1.00 0.00 H ATOM 227 HB2 ALA A 17 -2.452 -1.341 2.191 1.00 0.00 H ATOM 228 HB3 ALA A 17 -3.359 -0.156 3.130 1.00 0.00 H ATOM 229 N ARG A 18 -6.800 -1.416 1.313 1.00 0.00 N ATOM 230 CA ARG A 18 -7.817 -1.121 0.246 1.00 0.00 C ATOM 231 C ARG A 18 -7.739 0.348 -0.214 1.00 0.00 C ATOM 232 O ARG A 18 -8.138 0.676 -1.310 1.00 0.00 O ATOM 233 CB ARG A 18 -9.172 -1.408 0.910 1.00 0.00 C ATOM 234 CG ARG A 18 -9.215 -2.867 1.390 1.00 0.00 C ATOM 235 CD ARG A 18 -9.967 -2.948 2.720 1.00 0.00 C ATOM 236 NE ARG A 18 -8.918 -2.806 3.779 1.00 0.00 N ATOM 237 CZ ARG A 18 -8.796 -3.702 4.700 1.00 0.00 C ATOM 238 NH1 ARG A 18 -9.773 -3.939 5.502 1.00 0.00 N ATOM 239 NH2 ARG A 18 -7.687 -4.343 4.832 1.00 0.00 N ATOM 240 H ARG A 18 -7.099 -1.655 2.211 1.00 0.00 H ATOM 241 HA ARG A 18 -7.678 -1.780 -0.596 1.00 0.00 H ATOM 242 HB2 ARG A 18 -9.314 -0.747 1.753 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.962 -1.248 0.191 1.00 0.00 H ATOM 244 HG2 ARG A 18 -9.723 -3.472 0.653 1.00 0.00 H ATOM 245 HG3 ARG A 18 -8.211 -3.233 1.518 1.00 0.00 H ATOM 246 HD2 ARG A 18 -10.684 -2.144 2.789 1.00 0.00 H ATOM 247 HD3 ARG A 18 -10.471 -3.900 2.813 1.00 0.00 H ATOM 248 HE ARG A 18 -8.334 -2.020 3.789 1.00 0.00 H ATOM 249 HH11 ARG A 18 -10.625 -3.426 5.406 1.00 0.00 H ATOM 250 HH12 ARG A 18 -9.681 -4.630 6.214 1.00 0.00 H ATOM 251 HH21 ARG A 18 -6.923 -4.145 4.213 1.00 0.00 H ATOM 252 HH22 ARG A 18 -7.591 -5.033 5.546 1.00 0.00 H ATOM 253 N CYS A 19 -7.229 1.224 0.615 1.00 0.00 N ATOM 254 CA CYS A 19 -7.119 2.679 0.244 1.00 0.00 C ATOM 255 C CYS A 19 -6.274 2.867 -1.029 1.00 0.00 C ATOM 256 O CYS A 19 -6.515 3.768 -1.813 1.00 0.00 O ATOM 257 CB CYS A 19 -6.450 3.349 1.454 1.00 0.00 C ATOM 258 SG CYS A 19 -6.061 5.076 1.067 1.00 0.00 S ATOM 259 H CYS A 19 -6.921 0.926 1.492 1.00 0.00 H ATOM 260 HA CYS A 19 -8.100 3.099 0.091 1.00 0.00 H ATOM 261 HB2 CYS A 19 -7.121 3.315 2.302 1.00 0.00 H ATOM 262 HB3 CYS A 19 -5.539 2.822 1.698 1.00 0.00 H ATOM 263 N CYS A 20 -5.296 2.028 -1.255 1.00 0.00 N ATOM 264 CA CYS A 20 -4.457 2.173 -2.491 1.00 0.00 C ATOM 265 C CYS A 20 -5.196 1.586 -3.700 1.00 0.00 C ATOM 266 O CYS A 20 -5.278 0.386 -3.858 1.00 0.00 O ATOM 267 CB CYS A 20 -3.171 1.387 -2.217 1.00 0.00 C ATOM 268 SG CYS A 20 -1.740 2.491 -2.363 1.00 0.00 S ATOM 269 H CYS A 20 -5.118 1.303 -0.622 1.00 0.00 H ATOM 270 HA CYS A 20 -4.223 3.210 -2.672 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.202 0.973 -1.216 1.00 0.00 H ATOM 272 HB3 CYS A 20 -3.081 0.585 -2.933 1.00 0.00 H HETATM 273 N NH2 A 21 -5.746 2.384 -4.564 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -6.219 2.014 -5.333 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -5.685 3.355 -4.442 1.00 0.00 H TER 276 NH2 A 21 ENDMDL MODEL 20 HETATM 1 N PCA A 1 2.202 3.986 8.361 1.00 0.00 N HETATM 2 CA PCA A 1 2.951 4.598 7.185 1.00 0.00 C HETATM 3 CB PCA A 1 3.781 3.443 6.600 1.00 0.00 C HETATM 4 CG PCA A 1 3.353 2.197 7.339 1.00 0.00 C HETATM 5 CD PCA A 1 2.351 2.689 8.356 1.00 0.00 C HETATM 6 OE PCA A 1 1.579 1.919 8.885 1.00 0.00 O HETATM 7 C PCA A 1 1.956 5.123 6.139 1.00 0.00 C HETATM 8 O PCA A 1 0.978 4.474 5.827 1.00 0.00 O HETATM 9 H1 PCA A 1 2.587 4.351 9.248 1.00 0.00 H HETATM 10 H2 PCA A 1 1.185 4.227 8.292 1.00 0.00 H HETATM 11 HA PCA A 1 3.602 5.390 7.521 1.00 0.00 H HETATM 12 HB2 PCA A 1 4.832 3.623 6.761 1.00 0.00 H HETATM 13 HB3 PCA A 1 3.579 3.339 5.541 1.00 0.00 H HETATM 14 HG2 PCA A 1 4.194 1.743 7.836 1.00 0.00 H HETATM 15 HG3 PCA A 1 2.891 1.497 6.653 1.00 0.00 H ATOM 16 N ASN A 2 2.189 6.292 5.599 1.00 0.00 N ATOM 17 CA ASN A 2 1.239 6.860 4.575 1.00 0.00 C ATOM 18 C ASN A 2 1.365 6.114 3.228 1.00 0.00 C ATOM 19 O ASN A 2 1.714 6.688 2.213 1.00 0.00 O ATOM 20 CB ASN A 2 1.656 8.328 4.423 1.00 0.00 C ATOM 21 CG ASN A 2 1.708 9.005 5.797 1.00 0.00 C ATOM 22 OD1 ASN A 2 2.776 9.247 6.322 1.00 0.00 O ATOM 23 ND2 ASN A 2 0.605 9.318 6.411 1.00 0.00 N ATOM 24 H ASN A 2 2.985 6.803 5.864 1.00 0.00 H ATOM 25 HA ASN A 2 0.222 6.804 4.936 1.00 0.00 H ATOM 26 HB2 ASN A 2 2.632 8.373 3.964 1.00 0.00 H ATOM 27 HB3 ASN A 2 0.942 8.841 3.801 1.00 0.00 H ATOM 28 HD21 ASN A 2 -0.260 9.119 6.001 1.00 0.00 H ATOM 29 HD22 ASN A 2 0.645 9.743 7.292 1.00 0.00 H ATOM 30 N CYS A 3 1.068 4.838 3.216 1.00 0.00 N ATOM 31 CA CYS A 3 1.163 4.028 1.944 1.00 0.00 C ATOM 32 C CYS A 3 0.313 4.651 0.826 1.00 0.00 C ATOM 33 O CYS A 3 0.731 4.742 -0.313 1.00 0.00 O ATOM 34 CB CYS A 3 0.624 2.634 2.302 1.00 0.00 C ATOM 35 SG CYS A 3 1.399 1.391 1.237 1.00 0.00 S ATOM 36 H CYS A 3 0.781 4.409 4.050 1.00 0.00 H ATOM 37 HA CYS A 3 2.187 3.953 1.629 1.00 0.00 H ATOM 38 HB2 CYS A 3 0.854 2.414 3.336 1.00 0.00 H ATOM 39 HB3 CYS A 3 -0.446 2.612 2.162 1.00 0.00 H ATOM 40 N CYS A 4 -0.876 5.084 1.140 1.00 0.00 N ATOM 41 CA CYS A 4 -1.755 5.704 0.087 1.00 0.00 C ATOM 42 C CYS A 4 -1.405 7.176 -0.148 1.00 0.00 C ATOM 43 O CYS A 4 -1.974 7.822 -1.002 1.00 0.00 O ATOM 44 CB CYS A 4 -3.181 5.582 0.629 1.00 0.00 C ATOM 45 SG CYS A 4 -3.909 4.020 0.077 1.00 0.00 S ATOM 46 H CYS A 4 -1.192 5.005 2.065 1.00 0.00 H ATOM 47 HA CYS A 4 -1.660 5.163 -0.843 1.00 0.00 H ATOM 48 HB2 CYS A 4 -3.153 5.607 1.709 1.00 0.00 H ATOM 49 HB3 CYS A 4 -3.776 6.408 0.267 1.00 0.00 H ATOM 50 N ASN A 5 -0.465 7.705 0.580 1.00 0.00 N ATOM 51 CA ASN A 5 -0.064 9.124 0.376 1.00 0.00 C ATOM 52 C ASN A 5 1.280 9.179 -0.368 1.00 0.00 C ATOM 53 O ASN A 5 2.043 10.115 -0.229 1.00 0.00 O ATOM 54 CB ASN A 5 0.051 9.712 1.785 1.00 0.00 C ATOM 55 CG ASN A 5 -0.350 11.184 1.766 1.00 0.00 C ATOM 56 OD1 ASN A 5 -1.448 11.529 2.146 1.00 0.00 O ATOM 57 ND2 ASN A 5 0.490 12.069 1.329 1.00 0.00 N ATOM 58 H ASN A 5 0.000 7.162 1.238 1.00 0.00 H ATOM 59 HA ASN A 5 -0.821 9.645 -0.184 1.00 0.00 H ATOM 60 HB2 ASN A 5 -0.599 9.172 2.457 1.00 0.00 H ATOM 61 HB3 ASN A 5 1.072 9.627 2.131 1.00 0.00 H ATOM 62 HD21 ASN A 5 1.374 11.794 1.012 1.00 0.00 H ATOM 63 HD22 ASN A 5 0.239 13.017 1.328 1.00 0.00 H ATOM 64 N GLY A 6 1.564 8.172 -1.155 1.00 0.00 N ATOM 65 CA GLY A 6 2.846 8.143 -1.926 1.00 0.00 C ATOM 66 C GLY A 6 3.598 6.823 -1.701 1.00 0.00 C ATOM 67 O GLY A 6 4.812 6.788 -1.766 1.00 0.00 O ATOM 68 H GLY A 6 0.926 7.439 -1.243 1.00 0.00 H ATOM 69 HA2 GLY A 6 2.636 8.254 -2.978 1.00 0.00 H ATOM 70 HA3 GLY A 6 3.469 8.959 -1.600 1.00 0.00 H ATOM 71 N GLY A 7 2.906 5.737 -1.442 1.00 0.00 N ATOM 72 CA GLY A 7 3.620 4.437 -1.216 1.00 0.00 C ATOM 73 C GLY A 7 2.854 3.277 -1.854 1.00 0.00 C ATOM 74 O GLY A 7 2.795 2.196 -1.308 1.00 0.00 O ATOM 75 H GLY A 7 1.920 5.774 -1.386 1.00 0.00 H ATOM 76 HA2 GLY A 7 4.609 4.493 -1.649 1.00 0.00 H ATOM 77 HA3 GLY A 7 3.707 4.260 -0.156 1.00 0.00 H ATOM 78 N CYS A 8 2.272 3.485 -3.006 1.00 0.00 N ATOM 79 CA CYS A 8 1.507 2.375 -3.671 1.00 0.00 C ATOM 80 C CYS A 8 2.277 1.769 -4.853 1.00 0.00 C ATOM 81 O CYS A 8 1.761 0.929 -5.565 1.00 0.00 O ATOM 82 CB CYS A 8 0.211 3.020 -4.160 1.00 0.00 C ATOM 83 SG CYS A 8 -1.187 1.945 -3.746 1.00 0.00 S ATOM 84 H CYS A 8 2.338 4.364 -3.435 1.00 0.00 H ATOM 85 HA CYS A 8 1.278 1.600 -2.954 1.00 0.00 H ATOM 86 HB2 CYS A 8 0.087 3.979 -3.683 1.00 0.00 H ATOM 87 HB3 CYS A 8 0.258 3.154 -5.231 1.00 0.00 H ATOM 88 N SER A 9 3.504 2.173 -5.063 1.00 0.00 N ATOM 89 CA SER A 9 4.297 1.592 -6.195 1.00 0.00 C ATOM 90 C SER A 9 4.525 0.094 -5.956 1.00 0.00 C ATOM 91 O SER A 9 4.639 -0.682 -6.885 1.00 0.00 O ATOM 92 CB SER A 9 5.626 2.347 -6.179 1.00 0.00 C ATOM 93 OG SER A 9 6.014 2.634 -7.522 1.00 0.00 O ATOM 94 H SER A 9 3.902 2.843 -4.477 1.00 0.00 H ATOM 95 HA SER A 9 3.795 1.753 -7.134 1.00 0.00 H ATOM 96 HB2 SER A 9 5.511 3.269 -5.637 1.00 0.00 H ATOM 97 HB3 SER A 9 6.380 1.740 -5.693 1.00 0.00 H ATOM 98 HG SER A 9 6.983 2.610 -7.564 1.00 0.00 H ATOM 99 N SER A 10 4.573 -0.315 -4.713 1.00 0.00 N ATOM 100 CA SER A 10 4.780 -1.753 -4.387 1.00 0.00 C ATOM 101 C SER A 10 3.430 -2.474 -4.273 1.00 0.00 C ATOM 102 O SER A 10 2.479 -1.963 -3.714 1.00 0.00 O ATOM 103 CB SER A 10 5.497 -1.752 -3.037 1.00 0.00 C ATOM 104 OG SER A 10 5.087 -0.619 -2.275 1.00 0.00 O ATOM 105 H SER A 10 4.465 0.326 -3.982 1.00 0.00 H ATOM 106 HA SER A 10 5.399 -2.223 -5.133 1.00 0.00 H ATOM 107 HB2 SER A 10 5.243 -2.644 -2.504 1.00 0.00 H ATOM 108 HB3 SER A 10 6.570 -1.724 -3.201 1.00 0.00 H ATOM 109 HG SER A 10 5.874 -0.188 -1.933 1.00 0.00 H ATOM 110 N LYS A 11 3.348 -3.661 -4.811 1.00 0.00 N ATOM 111 CA LYS A 11 2.066 -4.439 -4.761 1.00 0.00 C ATOM 112 C LYS A 11 1.551 -4.615 -3.317 1.00 0.00 C ATOM 113 O LYS A 11 0.357 -4.661 -3.088 1.00 0.00 O ATOM 114 CB LYS A 11 2.402 -5.801 -5.383 1.00 0.00 C ATOM 115 CG LYS A 11 2.228 -5.720 -6.906 1.00 0.00 C ATOM 116 CD LYS A 11 2.283 -7.129 -7.510 1.00 0.00 C ATOM 117 CE LYS A 11 1.340 -7.217 -8.720 1.00 0.00 C ATOM 118 NZ LYS A 11 2.251 -7.289 -9.902 1.00 0.00 N ATOM 119 H LYS A 11 4.134 -4.040 -5.259 1.00 0.00 H ATOM 120 HA LYS A 11 1.315 -3.948 -5.358 1.00 0.00 H ATOM 121 HB2 LYS A 11 3.422 -6.068 -5.146 1.00 0.00 H ATOM 122 HB3 LYS A 11 1.730 -6.551 -4.984 1.00 0.00 H ATOM 123 HG2 LYS A 11 1.273 -5.264 -7.136 1.00 0.00 H ATOM 124 HG3 LYS A 11 3.023 -5.123 -7.323 1.00 0.00 H ATOM 125 HD2 LYS A 11 3.295 -7.341 -7.827 1.00 0.00 H ATOM 126 HD3 LYS A 11 1.981 -7.854 -6.767 1.00 0.00 H ATOM 127 HE2 LYS A 11 0.726 -8.109 -8.653 1.00 0.00 H ATOM 128 HE3 LYS A 11 0.716 -6.336 -8.781 1.00 0.00 H ATOM 129 HZ1 LYS A 11 1.686 -7.329 -10.775 1.00 0.00 H ATOM 130 HZ2 LYS A 11 2.840 -8.145 -9.834 1.00 0.00 H ATOM 131 HZ3 LYS A 11 2.866 -6.450 -9.925 1.00 0.00 H ATOM 132 N TRP A 12 2.429 -4.718 -2.343 1.00 0.00 N ATOM 133 CA TRP A 12 1.964 -4.903 -0.923 1.00 0.00 C ATOM 134 C TRP A 12 0.987 -3.796 -0.502 1.00 0.00 C ATOM 135 O TRP A 12 0.009 -4.060 0.165 1.00 0.00 O ATOM 136 CB TRP A 12 3.238 -4.852 -0.066 1.00 0.00 C ATOM 137 CG TRP A 12 2.886 -5.032 1.387 1.00 0.00 C ATOM 138 CD1 TRP A 12 2.958 -4.060 2.327 1.00 0.00 C ATOM 139 CD2 TRP A 12 2.405 -6.228 2.076 1.00 0.00 C ATOM 140 NE1 TRP A 12 2.566 -4.587 3.546 1.00 0.00 N ATOM 141 CE2 TRP A 12 2.215 -5.913 3.443 1.00 0.00 C ATOM 142 CE3 TRP A 12 2.119 -7.539 1.655 1.00 0.00 C ATOM 143 CZ2 TRP A 12 1.759 -6.859 4.355 1.00 0.00 C ATOM 144 CZ3 TRP A 12 1.657 -8.494 2.573 1.00 0.00 C ATOM 145 CH2 TRP A 12 1.482 -8.155 3.922 1.00 0.00 C ATOM 146 H TRP A 12 3.383 -4.688 -2.545 1.00 0.00 H ATOM 147 HA TRP A 12 1.494 -5.863 -0.808 1.00 0.00 H ATOM 148 HB2 TRP A 12 3.906 -5.645 -0.373 1.00 0.00 H ATOM 149 HB3 TRP A 12 3.727 -3.900 -0.203 1.00 0.00 H ATOM 150 HD1 TRP A 12 3.252 -3.035 2.152 1.00 0.00 H ATOM 151 HE1 TRP A 12 2.532 -4.094 4.391 1.00 0.00 H ATOM 152 HE3 TRP A 12 2.251 -7.813 0.620 1.00 0.00 H ATOM 153 HZ2 TRP A 12 1.629 -6.587 5.390 1.00 0.00 H ATOM 154 HZ3 TRP A 12 1.440 -9.499 2.238 1.00 0.00 H ATOM 155 HH2 TRP A 12 1.123 -8.892 4.624 1.00 0.00 H ATOM 156 N CYS A 13 1.230 -2.572 -0.881 1.00 0.00 N ATOM 157 CA CYS A 13 0.291 -1.464 -0.478 1.00 0.00 C ATOM 158 C CYS A 13 -1.161 -1.825 -0.814 1.00 0.00 C ATOM 159 O CYS A 13 -2.053 -1.603 -0.026 1.00 0.00 O ATOM 160 CB CYS A 13 0.733 -0.217 -1.242 1.00 0.00 C ATOM 161 SG CYS A 13 0.154 1.251 -0.352 1.00 0.00 S ATOM 162 H CYS A 13 2.025 -2.377 -1.418 1.00 0.00 H ATOM 163 HA CYS A 13 0.375 -1.287 0.579 1.00 0.00 H ATOM 164 HB2 CYS A 13 1.814 -0.197 -1.314 1.00 0.00 H ATOM 165 HB3 CYS A 13 0.307 -0.230 -2.234 1.00 0.00 H ATOM 166 N ARG A 14 -1.410 -2.400 -1.961 1.00 0.00 N ATOM 167 CA ARG A 14 -2.820 -2.789 -2.313 1.00 0.00 C ATOM 168 C ARG A 14 -3.227 -4.068 -1.549 1.00 0.00 C ATOM 169 O ARG A 14 -4.396 -4.351 -1.376 1.00 0.00 O ATOM 170 CB ARG A 14 -2.792 -3.031 -3.827 1.00 0.00 C ATOM 171 CG ARG A 14 -4.218 -3.298 -4.335 1.00 0.00 C ATOM 172 CD ARG A 14 -4.900 -1.977 -4.709 1.00 0.00 C ATOM 173 NE ARG A 14 -5.984 -1.816 -3.694 1.00 0.00 N ATOM 174 CZ ARG A 14 -7.226 -1.756 -4.058 1.00 0.00 C ATOM 175 NH1 ARG A 14 -7.892 -2.842 -4.205 1.00 0.00 N ATOM 176 NH2 ARG A 14 -7.783 -0.612 -4.283 1.00 0.00 N ATOM 177 H ARG A 14 -0.676 -2.589 -2.577 1.00 0.00 H ATOM 178 HA ARG A 14 -3.503 -1.989 -2.083 1.00 0.00 H ATOM 179 HB2 ARG A 14 -2.383 -2.163 -4.322 1.00 0.00 H ATOM 180 HB3 ARG A 14 -2.171 -3.892 -4.044 1.00 0.00 H ATOM 181 HG2 ARG A 14 -4.166 -3.935 -5.200 1.00 0.00 H ATOM 182 HG3 ARG A 14 -4.792 -3.791 -3.561 1.00 0.00 H ATOM 183 HD2 ARG A 14 -4.194 -1.159 -4.650 1.00 0.00 H ATOM 184 HD3 ARG A 14 -5.326 -2.042 -5.701 1.00 0.00 H ATOM 185 HE ARG A 14 -5.758 -1.776 -2.738 1.00 0.00 H ATOM 186 HH11 ARG A 14 -7.454 -3.720 -4.022 1.00 0.00 H ATOM 187 HH12 ARG A 14 -8.840 -2.808 -4.502 1.00 0.00 H ATOM 188 HH21 ARG A 14 -7.256 0.230 -4.164 1.00 0.00 H ATOM 189 HH22 ARG A 14 -8.742 -0.566 -4.567 1.00 0.00 H ATOM 190 N ASP A 15 -2.264 -4.830 -1.095 1.00 0.00 N ATOM 191 CA ASP A 15 -2.558 -6.085 -0.337 1.00 0.00 C ATOM 192 C ASP A 15 -3.263 -5.780 0.993 1.00 0.00 C ATOM 193 O ASP A 15 -4.348 -6.267 1.282 1.00 0.00 O ATOM 194 CB ASP A 15 -1.166 -6.666 -0.066 1.00 0.00 C ATOM 195 CG ASP A 15 -1.175 -8.177 -0.280 1.00 0.00 C ATOM 196 OD1 ASP A 15 -1.611 -8.877 0.614 1.00 0.00 O ATOM 197 OD2 ASP A 15 -0.757 -8.608 -1.337 1.00 0.00 O ATOM 198 H ASP A 15 -1.330 -4.573 -1.246 1.00 0.00 H ATOM 199 HA ASP A 15 -3.137 -6.767 -0.940 1.00 0.00 H ATOM 200 HB2 ASP A 15 -0.455 -6.207 -0.736 1.00 0.00 H ATOM 201 HB3 ASP A 15 -0.885 -6.446 0.953 1.00 0.00 H ATOM 202 N HIS A 16 -2.629 -4.992 1.810 1.00 0.00 N ATOM 203 CA HIS A 16 -3.188 -4.636 3.147 1.00 0.00 C ATOM 204 C HIS A 16 -3.873 -3.255 3.121 1.00 0.00 C ATOM 205 O HIS A 16 -4.839 -3.018 3.824 1.00 0.00 O ATOM 206 CB HIS A 16 -1.953 -4.643 4.070 1.00 0.00 C ATOM 207 CG HIS A 16 -1.008 -3.555 3.645 1.00 0.00 C ATOM 208 ND1 HIS A 16 -1.166 -2.241 4.031 1.00 0.00 N ATOM 209 CD2 HIS A 16 0.086 -3.574 2.827 1.00 0.00 C ATOM 210 CE1 HIS A 16 -0.194 -1.531 3.434 1.00 0.00 C ATOM 211 NE2 HIS A 16 0.599 -2.296 2.695 1.00 0.00 N ATOM 212 H HIS A 16 -1.754 -4.640 1.550 1.00 0.00 H ATOM 213 HA HIS A 16 -3.889 -5.383 3.472 1.00 0.00 H ATOM 214 HB2 HIS A 16 -2.253 -4.487 5.089 1.00 0.00 H ATOM 215 HB3 HIS A 16 -1.446 -5.599 3.988 1.00 0.00 H ATOM 216 HD1 HIS A 16 -1.859 -1.892 4.635 1.00 0.00 H ATOM 217 HD2 HIS A 16 0.491 -4.455 2.350 1.00 0.00 H ATOM 218 HE1 HIS A 16 -0.088 -0.469 3.517 1.00 0.00 H ATOM 219 N ALA A 17 -3.383 -2.341 2.326 1.00 0.00 N ATOM 220 CA ALA A 17 -4.001 -0.983 2.277 1.00 0.00 C ATOM 221 C ALA A 17 -5.017 -0.857 1.120 1.00 0.00 C ATOM 222 O ALA A 17 -4.662 -0.765 -0.039 1.00 0.00 O ATOM 223 CB ALA A 17 -2.816 -0.031 2.086 1.00 0.00 C ATOM 224 H ALA A 17 -2.604 -2.549 1.766 1.00 0.00 H ATOM 225 HA ALA A 17 -4.485 -0.774 3.216 1.00 0.00 H ATOM 226 HB1 ALA A 17 -2.945 0.534 1.174 1.00 0.00 H ATOM 227 HB2 ALA A 17 -1.904 -0.606 2.026 1.00 0.00 H ATOM 228 HB3 ALA A 17 -2.758 0.644 2.926 1.00 0.00 H ATOM 229 N ARG A 18 -6.282 -0.845 1.439 1.00 0.00 N ATOM 230 CA ARG A 18 -7.331 -0.726 0.373 1.00 0.00 C ATOM 231 C ARG A 18 -7.599 0.750 -0.005 1.00 0.00 C ATOM 232 O ARG A 18 -8.254 1.030 -0.993 1.00 0.00 O ATOM 233 CB ARG A 18 -8.575 -1.369 0.983 1.00 0.00 C ATOM 234 CG ARG A 18 -8.353 -2.880 1.127 1.00 0.00 C ATOM 235 CD ARG A 18 -8.854 -3.345 2.495 1.00 0.00 C ATOM 236 NE ARG A 18 -7.618 -3.633 3.286 1.00 0.00 N ATOM 237 CZ ARG A 18 -7.564 -4.660 4.075 1.00 0.00 C ATOM 238 NH1 ARG A 18 -8.230 -4.648 5.170 1.00 0.00 N ATOM 239 NH2 ARG A 18 -6.867 -5.699 3.752 1.00 0.00 N ATOM 240 H ARG A 18 -6.548 -0.915 2.383 1.00 0.00 H ATOM 241 HA ARG A 18 -7.033 -1.280 -0.501 1.00 0.00 H ATOM 242 HB2 ARG A 18 -8.763 -0.936 1.956 1.00 0.00 H ATOM 243 HB3 ARG A 18 -9.427 -1.191 0.342 1.00 0.00 H ATOM 244 HG2 ARG A 18 -8.898 -3.396 0.348 1.00 0.00 H ATOM 245 HG3 ARG A 18 -7.300 -3.104 1.035 1.00 0.00 H ATOM 246 HD2 ARG A 18 -9.433 -2.558 2.963 1.00 0.00 H ATOM 247 HD3 ARG A 18 -9.453 -4.241 2.392 1.00 0.00 H ATOM 248 HE ARG A 18 -6.837 -3.033 3.231 1.00 0.00 H ATOM 249 HH11 ARG A 18 -8.770 -3.848 5.410 1.00 0.00 H ATOM 250 HH12 ARG A 18 -8.194 -5.430 5.785 1.00 0.00 H ATOM 251 HH21 ARG A 18 -6.357 -5.713 2.892 1.00 0.00 H ATOM 252 HH22 ARG A 18 -6.829 -6.477 4.370 1.00 0.00 H ATOM 253 N CYS A 19 -7.092 1.690 0.763 1.00 0.00 N ATOM 254 CA CYS A 19 -7.311 3.153 0.449 1.00 0.00 C ATOM 255 C CYS A 19 -6.752 3.541 -0.932 1.00 0.00 C ATOM 256 O CYS A 19 -7.055 4.599 -1.453 1.00 0.00 O ATOM 257 CB CYS A 19 -6.566 3.924 1.547 1.00 0.00 C ATOM 258 SG CYS A 19 -4.866 3.307 1.707 1.00 0.00 S ATOM 259 H CYS A 19 -6.566 1.438 1.546 1.00 0.00 H ATOM 260 HA CYS A 19 -8.362 3.388 0.495 1.00 0.00 H ATOM 261 HB2 CYS A 19 -6.545 4.974 1.300 1.00 0.00 H ATOM 262 HB3 CYS A 19 -7.085 3.789 2.482 1.00 0.00 H ATOM 263 N CYS A 20 -5.936 2.711 -1.523 1.00 0.00 N ATOM 264 CA CYS A 20 -5.359 3.053 -2.868 1.00 0.00 C ATOM 265 C CYS A 20 -6.355 2.714 -3.984 1.00 0.00 C ATOM 266 O CYS A 20 -6.460 1.583 -4.409 1.00 0.00 O ATOM 267 CB CYS A 20 -4.098 2.198 -3.001 1.00 0.00 C ATOM 268 SG CYS A 20 -2.795 3.158 -3.813 1.00 0.00 S ATOM 269 H CYS A 20 -5.692 1.871 -1.082 1.00 0.00 H ATOM 270 HA CYS A 20 -5.097 4.098 -2.906 1.00 0.00 H ATOM 271 HB2 CYS A 20 -3.761 1.899 -2.018 1.00 0.00 H ATOM 272 HB3 CYS A 20 -4.317 1.320 -3.587 1.00 0.00 H HETATM 273 N NH2 A 21 -7.098 3.652 -4.484 1.00 0.00 N HETATM 274 HN1 NH2 A 21 -7.730 3.439 -5.196 1.00 0.00 H HETATM 275 HN2 NH2 A 21 -7.022 4.568 -4.153 1.00 0.00 H TER 276 NH2 A 21 ENDMDL CONECT 1 2 5 CONECT 2 1 3 7 11 CONECT 3 2 4 12 13 CONECT 4 3 5 14 15 CONECT 5 1 4 6 CONECT 6 5 CONECT 7 2 8 16 CONECT 8 7 CONECT 11 2 CONECT 12 3 CONECT 13 3 CONECT 14 4 CONECT 15 4 CONECT 16 7 CONECT 35 161 CONECT 45 258 CONECT 83 268 CONECT 161 35 CONECT 258 45 CONECT 268 83 CONECT 273 274 275 CONECT 274 273 CONECT 275 273 MASTER 165 0 2 2 0 0 0 6 149 1 23 2 END