HEADER CHAPERONE 02-AUG-12 SMS21022 TITLE MDCSGCSRPG CYCLIC + COPPER(I) FROM ACIDIC COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAD-TO-TAIL CYCLIC PEPTIDE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHETIC PEPTIDE FROM COPPER(I) METALLOCHAPERONE SOURCE 4 PROTEIN KEYWDS METALLOCHAPERONES, COPPER(I), PEPTIDE MODEL, CHAPERONE EXPDTA SOLUTION NMR NUMMDL 11 AUTHOR M.S.SHOSHAN,D.E.SHALEV,E.Y.TSHUVA JRNL AUTH M.S.SHOSHAN,D.E.SHALEV,E.Y.TSHUVA JRNL TITL PEPTIDE MODELS OF CU(I) AND ZN(II) METALLOCHAPERONES: THE JRNL TITL 2 EFFECT OF PH ON COORDINATION AND MECHANISTIC IMPLICATIONS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TOPSPIN 1.3 REMARK 3 AUTHORS : BRUKER BIOSPIN, KORADI, BILLETER AND WUTHRICH, REMARK 3 GODDARD, SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE, REMARK 3 CHIMERA UCSF REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NOE ENERGY AS A SQUARE-WELL POTENTIAL REMARK 3 WITH FORCE CONSTANT OF 50 KCAL/MOL 2 KEPT CONSTANT THROUGHOUT REMARK 3 PROTOCOL. EACH ROUND SIMULATED ANNEALING REFINEMENT HAD 1500 3- REMARK 3 FSEC STEPS AT 500 K AND 1000 3-FSEC STEPS DURING COOLING TO 300 REMARK 3 K. FINALLY THE STRUCTURES WERE MINIMIZED USING CONJUGATE GRADIENT REMARK 3 ENERGY MINIMIZATION FOR 1000 ITERATIONS. REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 23-AUG-12. REMARK 100 THE BMRB ID CODE IS SMS21022. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 4.0 MM MDCSGCSRPG, 100 % [U-2H] REMARK 210 DMSO, 4.0 MM CUCL, DMSO REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H COSY; 2D 1H-1H TOCSY; REMARK 210 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 1.3 REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 11 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS 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: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 SER A 4 61.04 170.79 REMARK 500 1 SER A 7 -48.08 -162.36 REMARK 500 1 PRO A 9 -169.60 -68.69 REMARK 500 2 ASP A 2 75.91 72.54 REMARK 500 2 SER A 4 58.85 -67.03 REMARK 500 2 CYS A 6 99.11 49.05 REMARK 500 2 SER A 7 -43.71 179.27 REMARK 500 2 ARG A 8 62.87 -153.40 REMARK 500 3 ASP A 2 75.34 60.75 REMARK 500 3 CYS A 3 135.43 173.84 REMARK 500 3 SER A 4 59.84 37.14 REMARK 500 3 CYS A 6 29.74 41.18 REMARK 500 3 SER A 7 -46.70 -165.76 REMARK 500 4 ASP A 2 89.13 75.54 REMARK 500 4 CYS A 6 110.22 163.58 REMARK 500 4 SER A 7 -46.22 -175.24 REMARK 500 5 ASP A 2 65.64 73.76 REMARK 500 5 SER A 4 59.76 -67.22 REMARK 500 5 CYS A 6 85.13 -54.45 REMARK 500 5 SER A 7 -45.45 -169.72 REMARK 500 5 PRO A 9 -169.90 -72.16 REMARK 500 6 CYS A 3 -142.02 -65.49 REMARK 500 6 SER A 4 41.41 -103.12 REMARK 500 6 SER A 7 -48.05 -161.62 REMARK 500 6 PRO A 9 -169.21 -69.66 REMARK 500 7 ASP A 2 79.97 75.06 REMARK 500 7 CYS A 6 111.16 161.51 REMARK 500 7 SER A 7 -45.99 -169.24 REMARK 500 7 ARG A 8 61.06 -150.69 REMARK 500 8 ASP A 2 93.34 76.94 REMARK 500 8 CYS A 6 97.44 61.22 REMARK 500 8 SER A 7 -47.24 -173.86 REMARK 500 8 PRO A 9 -169.33 -79.98 REMARK 500 9 ASP A 2 85.04 62.37 REMARK 500 9 SER A 4 50.07 177.94 REMARK 500 9 CYS A 6 115.65 162.63 REMARK 500 9 SER A 7 -45.20 -177.57 REMARK 500 9 ARG A 8 63.85 -156.03 REMARK 500 10 SER A 4 59.80 -66.95 REMARK 500 10 CYS A 6 88.77 -52.34 REMARK 500 10 SER A 7 -46.90 -173.38 REMARK 500 10 PRO A 9 -168.90 -76.33 REMARK 500 11 ASP A 2 57.34 37.96 REMARK 500 11 SER A 4 60.15 171.60 REMARK 500 11 SER A 7 -48.28 -166.38 REMARK 500 11 PRO A 9 -169.60 -69.05 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 8 0.18 SIDE CHAIN REMARK 500 2 ARG A 8 0.31 SIDE CHAIN REMARK 500 3 ARG A 8 0.14 SIDE CHAIN REMARK 500 4 ARG A 8 0.26 SIDE CHAIN REMARK 500 5 ARG A 8 0.30 SIDE CHAIN REMARK 500 7 ARG A 8 0.29 SIDE CHAIN REMARK 500 8 ARG A 8 0.27 SIDE CHAIN REMARK 500 9 ARG A 8 0.22 SIDE CHAIN REMARK 500 10 ARG A 8 0.19 SIDE CHAIN REMARK 500 11 ARG A 8 0.19 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21022 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21023 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21024 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21025 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21026 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21027 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21028 RELATED DB: BMRB DBREF A 1 10 BMRB SMS21022 SMS21022 1 10 SEQRES 1 A 10 MET ASP CYS SER GLY CYS SER ARG PRO GLY LINK N MET A 1 C GLY A 10 1555 1555 1.31 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 ATOM 1 N MET A 1 -5.646 1.947 0.861 1.00 0.00 N ATOM 2 CA MET A 1 -5.464 1.944 2.317 1.00 0.00 C ATOM 3 C MET A 1 -4.194 1.160 2.666 1.00 0.00 C ATOM 4 O MET A 1 -4.233 0.123 3.301 1.00 0.00 O ATOM 5 CB MET A 1 -6.721 1.337 2.946 1.00 0.00 C ATOM 6 CG MET A 1 -6.802 1.742 4.420 1.00 0.00 C ATOM 7 SD MET A 1 -6.935 0.257 5.445 1.00 0.00 S ATOM 8 CE MET A 1 -7.882 1.000 6.796 1.00 0.00 C ATOM 9 H1 MET A 1 -5.163 2.622 0.357 1.00 0.00 H ATOM 10 HA MET A 1 -5.331 2.955 2.617 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.595 1.699 2.424 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.676 0.261 2.873 1.00 0.00 H ATOM 13 HG2 MET A 1 -5.911 2.289 4.691 1.00 0.00 H ATOM 14 HG3 MET A 1 -7.669 2.366 4.574 1.00 0.00 H ATOM 15 HE1 MET A 1 -8.260 0.218 7.442 1.00 0.00 H ATOM 16 HE2 MET A 1 -8.707 1.567 6.387 1.00 0.00 H ATOM 17 HE3 MET A 1 -7.245 1.655 7.366 1.00 0.00 H ATOM 18 N ASP A 2 -3.063 1.676 2.249 1.00 0.00 N ATOM 19 CA ASP A 2 -1.757 1.011 2.535 1.00 0.00 C ATOM 20 C ASP A 2 -1.872 -0.505 2.370 1.00 0.00 C ATOM 21 O ASP A 2 -1.649 -1.256 3.299 1.00 0.00 O ATOM 22 CB ASP A 2 -1.449 1.368 3.990 1.00 0.00 C ATOM 23 CG ASP A 2 0.000 0.998 4.311 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.692 0.556 3.409 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.393 1.163 5.454 1.00 0.00 O ATOM 26 H ASP A 2 -3.076 2.517 1.745 1.00 0.00 H ATOM 27 HA ASP A 2 -0.982 1.408 1.888 1.00 0.00 H ATOM 28 HB2 ASP A 2 -1.593 2.428 4.137 1.00 0.00 H ATOM 29 HB3 ASP A 2 -2.112 0.820 4.642 1.00 0.00 H ATOM 30 N CYS A 3 -2.219 -0.969 1.199 1.00 0.00 N ATOM 31 CA CYS A 3 -2.340 -2.443 1.001 1.00 0.00 C ATOM 32 C CYS A 3 -1.586 -2.895 -0.237 1.00 0.00 C ATOM 33 O CYS A 3 -1.452 -4.073 -0.500 1.00 0.00 O ATOM 34 CB CYS A 3 -3.837 -2.708 0.852 1.00 0.00 C ATOM 35 SG CYS A 3 -4.564 -2.994 2.484 1.00 0.00 S ATOM 36 H CYS A 3 -2.399 -0.354 0.459 1.00 0.00 H ATOM 37 HA CYS A 3 -1.958 -2.955 1.846 1.00 0.00 H ATOM 38 HB2 CYS A 3 -4.308 -1.853 0.391 1.00 0.00 H ATOM 39 HB3 CYS A 3 -3.986 -3.580 0.232 1.00 0.00 H ATOM 40 HG CYS A 3 -5.445 -3.356 2.357 1.00 0.00 H ATOM 41 N SER A 4 -1.094 -1.972 -0.993 1.00 0.00 N ATOM 42 CA SER A 4 -0.343 -2.333 -2.222 1.00 0.00 C ATOM 43 C SER A 4 -0.053 -1.093 -3.073 1.00 0.00 C ATOM 44 O SER A 4 -0.483 -0.999 -4.205 1.00 0.00 O ATOM 45 CB SER A 4 -1.283 -3.268 -2.963 1.00 0.00 C ATOM 46 OG SER A 4 -0.937 -3.299 -4.341 1.00 0.00 O ATOM 47 H SER A 4 -1.221 -1.049 -0.752 1.00 0.00 H ATOM 48 HA SER A 4 0.568 -2.849 -1.969 1.00 0.00 H ATOM 49 HB2 SER A 4 -1.201 -4.255 -2.547 1.00 0.00 H ATOM 50 HB3 SER A 4 -2.298 -2.909 -2.838 1.00 0.00 H ATOM 51 HG SER A 4 -0.730 -4.207 -4.574 1.00 0.00 H ATOM 52 N GLY A 5 0.671 -0.141 -2.549 1.00 0.00 N ATOM 53 CA GLY A 5 0.972 1.076 -3.356 1.00 0.00 C ATOM 54 C GLY A 5 1.767 2.083 -2.525 1.00 0.00 C ATOM 55 O GLY A 5 2.819 2.539 -2.928 1.00 0.00 O ATOM 56 H GLY A 5 1.016 -0.227 -1.636 1.00 0.00 H ATOM 57 HA2 GLY A 5 1.550 0.793 -4.225 1.00 0.00 H ATOM 58 HA3 GLY A 5 0.047 1.531 -3.675 1.00 0.00 H ATOM 59 N CYS A 6 1.272 2.447 -1.375 1.00 0.00 N ATOM 60 CA CYS A 6 2.004 3.438 -0.533 1.00 0.00 C ATOM 61 C CYS A 6 2.193 4.742 -1.326 1.00 0.00 C ATOM 62 O CYS A 6 3.080 5.528 -1.059 1.00 0.00 O ATOM 63 CB CYS A 6 3.354 2.789 -0.236 1.00 0.00 C ATOM 64 SG CYS A 6 3.800 3.087 1.493 1.00 0.00 S ATOM 65 H CYS A 6 0.418 2.077 -1.068 1.00 0.00 H ATOM 66 HA CYS A 6 1.463 3.619 0.387 1.00 0.00 H ATOM 67 HB2 CYS A 6 3.288 1.725 -0.413 1.00 0.00 H ATOM 68 HB3 CYS A 6 4.107 3.215 -0.881 1.00 0.00 H ATOM 69 HG CYS A 6 3.923 2.234 1.917 1.00 0.00 H ATOM 70 N SER A 7 1.348 4.964 -2.294 1.00 0.00 N ATOM 71 CA SER A 7 1.410 6.185 -3.133 1.00 0.00 C ATOM 72 C SER A 7 0.049 6.258 -3.788 1.00 0.00 C ATOM 73 O SER A 7 -0.647 7.253 -3.739 1.00 0.00 O ATOM 74 CB SER A 7 2.513 5.925 -4.156 1.00 0.00 C ATOM 75 OG SER A 7 2.447 6.907 -5.181 1.00 0.00 O ATOM 76 H SER A 7 0.633 4.314 -2.478 1.00 0.00 H ATOM 77 HA SER A 7 1.615 7.062 -2.541 1.00 0.00 H ATOM 78 HB2 SER A 7 3.473 5.980 -3.672 1.00 0.00 H ATOM 79 HB3 SER A 7 2.382 4.937 -4.579 1.00 0.00 H ATOM 80 HG SER A 7 3.333 7.246 -5.325 1.00 0.00 H ATOM 81 N ARG A 8 -0.359 5.145 -4.325 1.00 0.00 N ATOM 82 CA ARG A 8 -1.702 5.038 -4.909 1.00 0.00 C ATOM 83 C ARG A 8 -2.357 3.811 -4.276 1.00 0.00 C ATOM 84 O ARG A 8 -2.697 2.856 -4.945 1.00 0.00 O ATOM 85 CB ARG A 8 -1.504 4.871 -6.412 1.00 0.00 C ATOM 86 CG ARG A 8 -0.921 6.160 -6.988 1.00 0.00 C ATOM 87 CD ARG A 8 0.344 5.841 -7.785 1.00 0.00 C ATOM 88 NE ARG A 8 1.150 4.955 -6.899 1.00 0.00 N ATOM 89 CZ ARG A 8 1.917 4.035 -7.420 1.00 0.00 C ATOM 90 NH1 ARG A 8 2.551 4.270 -8.536 1.00 0.00 N ATOM 91 NH2 ARG A 8 2.049 2.882 -6.825 1.00 0.00 N ATOM 92 H ARG A 8 0.212 4.351 -4.290 1.00 0.00 H ATOM 93 HA ARG A 8 -2.251 5.920 -4.683 1.00 0.00 H ATOM 94 HB2 ARG A 8 -0.824 4.050 -6.597 1.00 0.00 H ATOM 95 HB3 ARG A 8 -2.455 4.665 -6.882 1.00 0.00 H ATOM 96 HG2 ARG A 8 -1.649 6.624 -7.638 1.00 0.00 H ATOM 97 HG3 ARG A 8 -0.676 6.835 -6.183 1.00 0.00 H ATOM 98 HD2 ARG A 8 0.086 5.327 -8.700 1.00 0.00 H ATOM 99 HD3 ARG A 8 0.889 6.745 -7.998 1.00 0.00 H ATOM 100 HE ARG A 8 1.107 5.061 -5.925 1.00 0.00 H ATOM 101 HH11 ARG A 8 2.451 5.154 -8.992 1.00 0.00 H ATOM 102 HH12 ARG A 8 3.139 3.565 -8.935 1.00 0.00 H ATOM 103 HH21 ARG A 8 1.562 2.701 -5.970 1.00 0.00 H ATOM 104 HH22 ARG A 8 2.635 2.177 -7.224 1.00 0.00 H ATOM 105 N PRO A 9 -2.443 3.879 -2.974 1.00 0.00 N ATOM 106 CA PRO A 9 -2.980 2.765 -2.156 1.00 0.00 C ATOM 107 C PRO A 9 -4.456 2.513 -2.323 1.00 0.00 C ATOM 108 O PRO A 9 -5.155 3.066 -3.150 1.00 0.00 O ATOM 109 CB PRO A 9 -2.713 3.203 -0.715 1.00 0.00 C ATOM 110 CG PRO A 9 -2.627 4.680 -0.790 1.00 0.00 C ATOM 111 CD PRO A 9 -2.048 5.015 -2.134 1.00 0.00 C ATOM 112 HA PRO A 9 -2.449 1.868 -2.340 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.532 2.910 -0.070 1.00 0.00 H ATOM 114 HB3 PRO A 9 -1.789 2.795 -0.348 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.613 5.104 -0.694 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.980 5.046 -0.014 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.473 5.937 -2.510 1.00 0.00 H ATOM 118 HD3 PRO A 9 -0.978 5.083 -2.077 1.00 0.00 H ATOM 119 N GLY A 10 -4.891 1.693 -1.442 1.00 0.00 N ATOM 120 CA GLY A 10 -6.292 1.296 -1.301 1.00 0.00 C ATOM 121 C GLY A 10 -6.375 1.084 0.197 1.00 0.00 C ATOM 122 O GLY A 10 -6.986 0.168 0.713 1.00 0.00 O ATOM 123 H GLY A 10 -4.253 1.350 -0.774 1.00 0.00 H ATOM 124 HA2 GLY A 10 -6.942 2.091 -1.634 1.00 0.00 H ATOM 125 HA3 GLY A 10 -6.480 0.376 -1.824 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 2 ATOM 1 N MET A 1 -6.145 1.835 1.140 1.00 0.00 N ATOM 2 CA MET A 1 -5.684 1.962 2.507 1.00 0.00 C ATOM 3 C MET A 1 -4.442 1.090 2.723 1.00 0.00 C ATOM 4 O MET A 1 -4.501 0.020 3.295 1.00 0.00 O ATOM 5 CB MET A 1 -6.857 1.529 3.367 1.00 0.00 C ATOM 6 CG MET A 1 -6.651 2.006 4.806 1.00 0.00 C ATOM 7 SD MET A 1 -7.104 0.681 5.953 1.00 0.00 S ATOM 8 CE MET A 1 -7.598 1.738 7.337 1.00 0.00 C ATOM 9 H1 MET A 1 -5.691 1.212 0.556 1.00 0.00 H ATOM 10 HA MET A 1 -5.435 2.982 2.664 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.763 1.957 2.964 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.928 0.452 3.347 1.00 0.00 H ATOM 13 HG2 MET A 1 -5.613 2.270 4.953 1.00 0.00 H ATOM 14 HG3 MET A 1 -7.271 2.870 4.991 1.00 0.00 H ATOM 15 HE1 MET A 1 -6.851 2.506 7.485 1.00 0.00 H ATOM 16 HE2 MET A 1 -7.690 1.139 8.232 1.00 0.00 H ATOM 17 HE3 MET A 1 -8.548 2.201 7.117 1.00 0.00 H ATOM 18 N ASP A 2 -3.310 1.565 2.261 1.00 0.00 N ATOM 19 CA ASP A 2 -2.034 0.805 2.417 1.00 0.00 C ATOM 20 C ASP A 2 -2.007 -0.408 1.484 1.00 0.00 C ATOM 21 O ASP A 2 -2.176 -1.535 1.907 1.00 0.00 O ATOM 22 CB ASP A 2 -2.003 0.361 3.881 1.00 0.00 C ATOM 23 CG ASP A 2 -0.605 0.596 4.458 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.332 0.007 3.946 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.497 1.361 5.402 1.00 0.00 O ATOM 26 H ASP A 2 -3.302 2.433 1.808 1.00 0.00 H ATOM 27 HA ASP A 2 -1.189 1.450 2.210 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.727 0.932 4.445 1.00 0.00 H ATOM 29 HB3 ASP A 2 -2.244 -0.689 3.943 1.00 0.00 H ATOM 30 N CYS A 3 -1.780 -0.185 0.220 1.00 0.00 N ATOM 31 CA CYS A 3 -1.726 -1.319 -0.744 1.00 0.00 C ATOM 32 C CYS A 3 -0.275 -1.733 -0.972 1.00 0.00 C ATOM 33 O CYS A 3 0.645 -1.125 -0.465 1.00 0.00 O ATOM 34 CB CYS A 3 -2.339 -0.775 -2.034 1.00 0.00 C ATOM 35 SG CYS A 3 -4.112 -0.504 -1.791 1.00 0.00 S ATOM 36 H CYS A 3 -1.637 0.731 -0.095 1.00 0.00 H ATOM 37 HA CYS A 3 -2.299 -2.158 -0.387 1.00 0.00 H ATOM 38 HB2 CYS A 3 -1.865 0.160 -2.292 1.00 0.00 H ATOM 39 HB3 CYS A 3 -2.190 -1.487 -2.832 1.00 0.00 H ATOM 40 HG CYS A 3 -4.461 -1.252 -1.299 1.00 0.00 H ATOM 41 N SER A 4 -0.069 -2.768 -1.727 1.00 0.00 N ATOM 42 CA SER A 4 1.318 -3.236 -1.990 1.00 0.00 C ATOM 43 C SER A 4 2.080 -2.202 -2.826 1.00 0.00 C ATOM 44 O SER A 4 2.555 -2.492 -3.906 1.00 0.00 O ATOM 45 CB SER A 4 1.130 -4.534 -2.765 1.00 0.00 C ATOM 46 OG SER A 4 2.373 -4.938 -3.324 1.00 0.00 O ATOM 47 H SER A 4 -0.828 -3.245 -2.122 1.00 0.00 H ATOM 48 HA SER A 4 1.834 -3.431 -1.064 1.00 0.00 H ATOM 49 HB2 SER A 4 0.772 -5.301 -2.097 1.00 0.00 H ATOM 50 HB3 SER A 4 0.400 -4.376 -3.549 1.00 0.00 H ATOM 51 HG SER A 4 2.497 -4.461 -4.148 1.00 0.00 H ATOM 52 N GLY A 5 2.202 -0.998 -2.332 1.00 0.00 N ATOM 53 CA GLY A 5 2.934 0.051 -3.099 1.00 0.00 C ATOM 54 C GLY A 5 2.869 1.382 -2.345 1.00 0.00 C ATOM 55 O GLY A 5 3.779 2.187 -2.411 1.00 0.00 O ATOM 56 H GLY A 5 1.812 -0.785 -1.459 1.00 0.00 H ATOM 57 HA2 GLY A 5 3.966 -0.247 -3.218 1.00 0.00 H ATOM 58 HA3 GLY A 5 2.479 0.169 -4.071 1.00 0.00 H ATOM 59 N CYS A 6 1.802 1.623 -1.632 1.00 0.00 N ATOM 60 CA CYS A 6 1.680 2.906 -0.878 1.00 0.00 C ATOM 61 C CYS A 6 2.011 4.091 -1.795 1.00 0.00 C ATOM 62 O CYS A 6 3.160 4.406 -2.031 1.00 0.00 O ATOM 63 CB CYS A 6 2.705 2.813 0.248 1.00 0.00 C ATOM 64 SG CYS A 6 2.586 1.197 1.056 1.00 0.00 S ATOM 65 H CYS A 6 1.080 0.962 -1.594 1.00 0.00 H ATOM 66 HA CYS A 6 0.685 3.007 -0.461 1.00 0.00 H ATOM 67 HB2 CYS A 6 3.696 2.941 -0.162 1.00 0.00 H ATOM 68 HB3 CYS A 6 2.511 3.593 0.970 1.00 0.00 H ATOM 69 HG CYS A 6 2.468 0.533 0.373 1.00 0.00 H ATOM 70 N SER A 7 1.011 4.739 -2.314 1.00 0.00 N ATOM 71 CA SER A 7 1.231 5.894 -3.219 1.00 0.00 C ATOM 72 C SER A 7 -0.145 6.376 -3.635 1.00 0.00 C ATOM 73 O SER A 7 -0.454 7.550 -3.621 1.00 0.00 O ATOM 74 CB SER A 7 1.995 5.324 -4.405 1.00 0.00 C ATOM 75 OG SER A 7 2.841 6.328 -4.951 1.00 0.00 O ATOM 76 H SER A 7 0.092 4.466 -2.116 1.00 0.00 H ATOM 77 HA SER A 7 1.792 6.675 -2.730 1.00 0.00 H ATOM 78 HB2 SER A 7 2.596 4.491 -4.076 1.00 0.00 H ATOM 79 HB3 SER A 7 1.290 4.984 -5.151 1.00 0.00 H ATOM 80 HG SER A 7 3.641 6.364 -4.420 1.00 0.00 H ATOM 81 N ARG A 8 -0.988 5.439 -3.953 1.00 0.00 N ATOM 82 CA ARG A 8 -2.383 5.764 -4.319 1.00 0.00 C ATOM 83 C ARG A 8 -3.252 4.550 -3.989 1.00 0.00 C ATOM 84 O ARG A 8 -3.819 3.919 -4.858 1.00 0.00 O ATOM 85 CB ARG A 8 -2.402 6.083 -5.827 1.00 0.00 C ATOM 86 CG ARG A 8 -1.170 5.496 -6.533 1.00 0.00 C ATOM 87 CD ARG A 8 -1.286 3.971 -6.596 1.00 0.00 C ATOM 88 NE ARG A 8 0.026 3.465 -6.107 1.00 0.00 N ATOM 89 CZ ARG A 8 1.002 3.261 -6.949 1.00 0.00 C ATOM 90 NH1 ARG A 8 1.721 4.266 -7.370 1.00 0.00 N ATOM 91 NH2 ARG A 8 1.259 2.053 -7.371 1.00 0.00 N ATOM 92 H ARG A 8 -0.705 4.501 -3.912 1.00 0.00 H ATOM 93 HA ARG A 8 -2.701 6.610 -3.745 1.00 0.00 H ATOM 94 HB2 ARG A 8 -3.295 5.663 -6.266 1.00 0.00 H ATOM 95 HB3 ARG A 8 -2.412 7.154 -5.961 1.00 0.00 H ATOM 96 HG2 ARG A 8 -1.111 5.892 -7.536 1.00 0.00 H ATOM 97 HG3 ARG A 8 -0.278 5.766 -5.988 1.00 0.00 H ATOM 98 HD2 ARG A 8 -2.085 3.629 -5.955 1.00 0.00 H ATOM 99 HD3 ARG A 8 -1.451 3.647 -7.612 1.00 0.00 H ATOM 100 HE ARG A 8 0.156 3.285 -5.153 1.00 0.00 H ATOM 101 HH11 ARG A 8 1.523 5.192 -7.047 1.00 0.00 H ATOM 102 HH12 ARG A 8 2.468 4.110 -8.014 1.00 0.00 H ATOM 103 HH21 ARG A 8 0.708 1.284 -7.049 1.00 0.00 H ATOM 104 HH22 ARG A 8 2.007 1.898 -8.016 1.00 0.00 H ATOM 105 N PRO A 9 -3.278 4.251 -2.720 1.00 0.00 N ATOM 106 CA PRO A 9 -4.018 3.083 -2.206 1.00 0.00 C ATOM 107 C PRO A 9 -5.466 3.348 -1.931 1.00 0.00 C ATOM 108 O PRO A 9 -6.024 4.399 -2.178 1.00 0.00 O ATOM 109 CB PRO A 9 -3.354 2.797 -0.866 1.00 0.00 C ATOM 110 CG PRO A 9 -2.754 4.088 -0.437 1.00 0.00 C ATOM 111 CD PRO A 9 -2.619 4.984 -1.641 1.00 0.00 C ATOM 112 HA PRO A 9 -3.911 2.238 -2.833 1.00 0.00 H ATOM 113 HB2 PRO A 9 -4.103 2.483 -0.138 1.00 0.00 H ATOM 114 HB3 PRO A 9 -2.594 2.048 -0.962 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.397 4.551 0.292 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.784 3.904 -0.013 1.00 0.00 H ATOM 117 HD2 PRO A 9 -3.117 5.928 -1.464 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.581 5.144 -1.878 1.00 0.00 H ATOM 119 N GLY A 10 -6.010 2.381 -1.293 1.00 0.00 N ATOM 120 CA GLY A 10 -7.372 2.439 -0.794 1.00 0.00 C ATOM 121 C GLY A 10 -7.104 2.608 0.677 1.00 0.00 C ATOM 122 O GLY A 10 -7.648 3.459 1.353 1.00 0.00 O ATOM 123 H GLY A 10 -5.455 1.622 -1.048 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.890 3.291 -1.214 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.889 1.518 -0.984 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 3 ATOM 1 N MET A 1 -5.561 1.297 0.997 1.00 0.00 N ATOM 2 CA MET A 1 -5.281 1.619 2.383 1.00 0.00 C ATOM 3 C MET A 1 -3.996 0.917 2.839 1.00 0.00 C ATOM 4 O MET A 1 -4.024 -0.094 3.511 1.00 0.00 O ATOM 5 CB MET A 1 -6.503 1.151 3.151 1.00 0.00 C ATOM 6 CG MET A 1 -6.423 1.633 4.600 1.00 0.00 C ATOM 7 SD MET A 1 -7.622 0.723 5.606 1.00 0.00 S ATOM 8 CE MET A 1 -9.090 1.656 5.107 1.00 0.00 C ATOM 9 H1 MET A 1 -4.953 0.710 0.528 1.00 0.00 H ATOM 10 HA MET A 1 -5.157 2.672 2.445 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.388 1.552 2.678 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.540 0.072 3.127 1.00 0.00 H ATOM 13 HG2 MET A 1 -5.428 1.460 4.983 1.00 0.00 H ATOM 14 HG3 MET A 1 -6.646 2.689 4.641 1.00 0.00 H ATOM 15 HE1 MET A 1 -8.831 2.328 4.300 1.00 0.00 H ATOM 16 HE2 MET A 1 -9.459 2.223 5.950 1.00 0.00 H ATOM 17 HE3 MET A 1 -9.855 0.974 4.772 1.00 0.00 H ATOM 18 N ASP A 2 -2.867 1.469 2.469 1.00 0.00 N ATOM 19 CA ASP A 2 -1.559 0.868 2.863 1.00 0.00 C ATOM 20 C ASP A 2 -1.429 -0.550 2.303 1.00 0.00 C ATOM 21 O ASP A 2 -1.552 -1.524 3.018 1.00 0.00 O ATOM 22 CB ASP A 2 -1.580 0.841 4.393 1.00 0.00 C ATOM 23 CG ASP A 2 -0.656 1.933 4.936 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.909 3.092 4.648 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.288 1.592 5.628 1.00 0.00 O ATOM 26 H ASP A 2 -2.881 2.286 1.929 1.00 0.00 H ATOM 27 HA ASP A 2 -0.740 1.486 2.516 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.588 1.015 4.742 1.00 0.00 H ATOM 29 HB3 ASP A 2 -1.239 -0.123 4.741 1.00 0.00 H ATOM 30 N CYS A 3 -1.174 -0.671 1.030 1.00 0.00 N ATOM 31 CA CYS A 3 -1.027 -2.024 0.422 1.00 0.00 C ATOM 32 C CYS A 3 -0.885 -1.913 -1.093 1.00 0.00 C ATOM 33 O CYS A 3 -1.607 -1.184 -1.744 1.00 0.00 O ATOM 34 CB CYS A 3 -2.303 -2.784 0.781 1.00 0.00 C ATOM 35 SG CYS A 3 -3.746 -1.718 0.527 1.00 0.00 S ATOM 36 H CYS A 3 -1.072 0.129 0.473 1.00 0.00 H ATOM 37 HA CYS A 3 -0.172 -2.531 0.839 1.00 0.00 H ATOM 38 HB2 CYS A 3 -2.385 -3.656 0.149 1.00 0.00 H ATOM 39 HB3 CYS A 3 -2.258 -3.092 1.813 1.00 0.00 H ATOM 40 HG CYS A 3 -3.475 -0.976 -0.017 1.00 0.00 H ATOM 41 N SER A 4 0.039 -2.643 -1.651 1.00 0.00 N ATOM 42 CA SER A 4 0.248 -2.607 -3.128 1.00 0.00 C ATOM 43 C SER A 4 0.046 -1.190 -3.672 1.00 0.00 C ATOM 44 O SER A 4 -0.804 -0.953 -4.507 1.00 0.00 O ATOM 45 CB SER A 4 -0.806 -3.555 -3.694 1.00 0.00 C ATOM 46 OG SER A 4 -0.657 -3.636 -5.105 1.00 0.00 O ATOM 47 H SER A 4 0.595 -3.225 -1.093 1.00 0.00 H ATOM 48 HA SER A 4 1.234 -2.965 -3.375 1.00 0.00 H ATOM 49 HB2 SER A 4 -0.677 -4.535 -3.267 1.00 0.00 H ATOM 50 HB3 SER A 4 -1.791 -3.183 -3.445 1.00 0.00 H ATOM 51 HG SER A 4 0.076 -4.224 -5.293 1.00 0.00 H ATOM 52 N GLY A 5 0.820 -0.247 -3.209 1.00 0.00 N ATOM 53 CA GLY A 5 0.665 1.148 -3.707 1.00 0.00 C ATOM 54 C GLY A 5 1.503 2.099 -2.851 1.00 0.00 C ATOM 55 O GLY A 5 2.349 2.814 -3.352 1.00 0.00 O ATOM 56 H GLY A 5 1.502 -0.457 -2.536 1.00 0.00 H ATOM 57 HA2 GLY A 5 0.996 1.201 -4.735 1.00 0.00 H ATOM 58 HA3 GLY A 5 -0.373 1.438 -3.648 1.00 0.00 H ATOM 59 N CYS A 6 1.274 2.113 -1.564 1.00 0.00 N ATOM 60 CA CYS A 6 2.057 3.023 -0.675 1.00 0.00 C ATOM 61 C CYS A 6 2.229 4.391 -1.348 1.00 0.00 C ATOM 62 O CYS A 6 3.200 5.089 -1.133 1.00 0.00 O ATOM 63 CB CYS A 6 3.411 2.339 -0.508 1.00 0.00 C ATOM 64 SG CYS A 6 3.729 2.045 1.249 1.00 0.00 S ATOM 65 H CYS A 6 0.588 1.525 -1.184 1.00 0.00 H ATOM 66 HA CYS A 6 1.569 3.123 0.286 1.00 0.00 H ATOM 67 HB2 CYS A 6 3.402 1.397 -1.036 1.00 0.00 H ATOM 68 HB3 CYS A 6 4.184 2.973 -0.914 1.00 0.00 H ATOM 69 HG CYS A 6 4.479 2.583 1.509 1.00 0.00 H ATOM 70 N SER A 7 1.284 4.767 -2.159 1.00 0.00 N ATOM 71 CA SER A 7 1.337 6.068 -2.869 1.00 0.00 C ATOM 72 C SER A 7 -0.060 6.290 -3.406 1.00 0.00 C ATOM 73 O SER A 7 -0.668 7.326 -3.227 1.00 0.00 O ATOM 74 CB SER A 7 2.345 5.880 -4.002 1.00 0.00 C ATOM 75 OG SER A 7 2.886 7.144 -4.364 1.00 0.00 O ATOM 76 H SER A 7 0.506 4.184 -2.308 1.00 0.00 H ATOM 77 HA SER A 7 1.636 6.865 -2.205 1.00 0.00 H ATOM 78 HB2 SER A 7 3.141 5.233 -3.674 1.00 0.00 H ATOM 79 HB3 SER A 7 1.847 5.432 -4.852 1.00 0.00 H ATOM 80 HG SER A 7 3.595 7.349 -3.751 1.00 0.00 H ATOM 81 N ARG A 8 -0.592 5.265 -4.005 1.00 0.00 N ATOM 82 CA ARG A 8 -1.980 5.325 -4.500 1.00 0.00 C ATOM 83 C ARG A 8 -2.677 4.019 -4.114 1.00 0.00 C ATOM 84 O ARG A 8 -3.121 3.265 -4.957 1.00 0.00 O ATOM 85 CB ARG A 8 -1.913 5.505 -6.027 1.00 0.00 C ATOM 86 CG ARG A 8 -0.566 5.017 -6.577 1.00 0.00 C ATOM 87 CD ARG A 8 -0.458 3.499 -6.412 1.00 0.00 C ATOM 88 NE ARG A 8 0.944 3.260 -5.971 1.00 0.00 N ATOM 89 CZ ARG A 8 1.895 3.142 -6.857 1.00 0.00 C ATOM 90 NH1 ARG A 8 1.775 3.714 -8.023 1.00 0.00 N ATOM 91 NH2 ARG A 8 2.966 2.452 -6.576 1.00 0.00 N ATOM 92 H ARG A 8 -0.086 4.431 -4.085 1.00 0.00 H ATOM 93 HA ARG A 8 -2.469 6.152 -4.037 1.00 0.00 H ATOM 94 HB2 ARG A 8 -2.710 4.939 -6.486 1.00 0.00 H ATOM 95 HB3 ARG A 8 -2.036 6.550 -6.268 1.00 0.00 H ATOM 96 HG2 ARG A 8 -0.493 5.270 -7.625 1.00 0.00 H ATOM 97 HG3 ARG A 8 0.237 5.493 -6.035 1.00 0.00 H ATOM 98 HD2 ARG A 8 -1.154 3.153 -5.661 1.00 0.00 H ATOM 99 HD3 ARG A 8 -0.640 3.003 -7.353 1.00 0.00 H ATOM 100 HE ARG A 8 1.153 3.192 -5.016 1.00 0.00 H ATOM 101 HH11 ARG A 8 0.955 4.243 -8.239 1.00 0.00 H ATOM 102 HH12 ARG A 8 2.504 3.623 -8.703 1.00 0.00 H ATOM 103 HH21 ARG A 8 3.058 2.013 -5.681 1.00 0.00 H ATOM 104 HH22 ARG A 8 3.695 2.360 -7.254 1.00 0.00 H ATOM 105 N PRO A 9 -2.707 3.796 -2.828 1.00 0.00 N ATOM 106 CA PRO A 9 -3.300 2.567 -2.259 1.00 0.00 C ATOM 107 C PRO A 9 -4.794 2.615 -2.141 1.00 0.00 C ATOM 108 O PRO A 9 -5.476 3.537 -2.543 1.00 0.00 O ATOM 109 CB PRO A 9 -2.743 2.511 -0.842 1.00 0.00 C ATOM 110 CG PRO A 9 -2.411 3.917 -0.500 1.00 0.00 C ATOM 111 CD PRO A 9 -2.189 4.678 -1.780 1.00 0.00 C ATOM 112 HA PRO A 9 -3.001 1.700 -2.785 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.503 2.138 -0.155 1.00 0.00 H ATOM 114 HB3 PRO A 9 -1.864 1.898 -0.793 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.231 4.352 0.046 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.515 3.938 0.093 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.735 5.610 -1.763 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.140 4.857 -1.930 1.00 0.00 H ATOM 119 N GLY A 10 -5.250 1.632 -1.461 1.00 0.00 N ATOM 120 CA GLY A 10 -6.652 1.517 -1.098 1.00 0.00 C ATOM 121 C GLY A 10 -6.573 1.856 0.367 1.00 0.00 C ATOM 122 O GLY A 10 -7.316 2.659 0.896 1.00 0.00 O ATOM 123 H GLY A 10 -4.620 0.994 -1.090 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.242 2.234 -1.651 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.001 0.512 -1.238 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 4 ATOM 1 N MET A 1 -5.967 2.234 1.546 1.00 0.00 N ATOM 2 CA MET A 1 -5.551 1.910 2.916 1.00 0.00 C ATOM 3 C MET A 1 -4.389 0.914 2.857 1.00 0.00 C ATOM 4 O MET A 1 -4.486 -0.217 3.292 1.00 0.00 O ATOM 5 CB MET A 1 -6.765 1.351 3.662 1.00 0.00 C ATOM 6 CG MET A 1 -6.680 1.734 5.139 1.00 0.00 C ATOM 7 SD MET A 1 -7.855 3.066 5.487 1.00 0.00 S ATOM 8 CE MET A 1 -7.146 3.586 7.070 1.00 0.00 C ATOM 9 H1 MET A 1 -5.447 2.907 1.076 1.00 0.00 H ATOM 10 HA MET A 1 -5.203 2.812 3.360 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.670 1.761 3.234 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.780 0.275 3.571 1.00 0.00 H ATOM 13 HG2 MET A 1 -6.918 0.875 5.749 1.00 0.00 H ATOM 14 HG3 MET A 1 -5.678 2.070 5.366 1.00 0.00 H ATOM 15 HE1 MET A 1 -6.109 3.857 6.926 1.00 0.00 H ATOM 16 HE2 MET A 1 -7.217 2.774 7.779 1.00 0.00 H ATOM 17 HE3 MET A 1 -7.689 4.438 7.446 1.00 0.00 H ATOM 18 N ASP A 2 -3.277 1.356 2.311 1.00 0.00 N ATOM 19 CA ASP A 2 -2.064 0.490 2.194 1.00 0.00 C ATOM 20 C ASP A 2 -2.231 -0.534 1.069 1.00 0.00 C ATOM 21 O ASP A 2 -2.686 -1.641 1.278 1.00 0.00 O ATOM 22 CB ASP A 2 -1.928 -0.210 3.548 1.00 0.00 C ATOM 23 CG ASP A 2 -0.478 -0.117 4.029 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.221 0.770 3.569 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.093 -0.934 4.849 1.00 0.00 O ATOM 26 H ASP A 2 -3.242 2.277 1.976 1.00 0.00 H ATOM 27 HA ASP A 2 -1.186 1.101 2.005 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.579 0.268 4.266 1.00 0.00 H ATOM 29 HB3 ASP A 2 -2.205 -1.249 3.446 1.00 0.00 H ATOM 30 N CYS A 3 -1.846 -0.167 -0.121 1.00 0.00 N ATOM 31 CA CYS A 3 -1.952 -1.104 -1.275 1.00 0.00 C ATOM 32 C CYS A 3 -0.727 -0.935 -2.169 1.00 0.00 C ATOM 33 O CYS A 3 -0.235 0.159 -2.360 1.00 0.00 O ATOM 34 CB CYS A 3 -3.225 -0.698 -2.016 1.00 0.00 C ATOM 35 SG CYS A 3 -4.620 -0.700 -0.863 1.00 0.00 S ATOM 36 H CYS A 3 -1.470 0.727 -0.256 1.00 0.00 H ATOM 37 HA CYS A 3 -2.028 -2.123 -0.933 1.00 0.00 H ATOM 38 HB2 CYS A 3 -3.100 0.291 -2.430 1.00 0.00 H ATOM 39 HB3 CYS A 3 -3.416 -1.401 -2.814 1.00 0.00 H ATOM 40 HG CYS A 3 -4.996 -1.583 -0.854 1.00 0.00 H ATOM 41 N SER A 4 -0.225 -2.004 -2.714 1.00 0.00 N ATOM 42 CA SER A 4 0.971 -1.886 -3.584 1.00 0.00 C ATOM 43 C SER A 4 2.079 -1.140 -2.840 1.00 0.00 C ATOM 44 O SER A 4 2.918 -0.492 -3.434 1.00 0.00 O ATOM 45 CB SER A 4 0.485 -1.087 -4.784 1.00 0.00 C ATOM 46 OG SER A 4 1.596 -0.715 -5.588 1.00 0.00 O ATOM 47 H SER A 4 -0.630 -2.878 -2.552 1.00 0.00 H ATOM 48 HA SER A 4 1.311 -2.857 -3.895 1.00 0.00 H ATOM 49 HB2 SER A 4 -0.191 -1.692 -5.366 1.00 0.00 H ATOM 50 HB3 SER A 4 -0.036 -0.205 -4.435 1.00 0.00 H ATOM 51 HG SER A 4 1.495 -1.133 -6.447 1.00 0.00 H ATOM 52 N GLY A 5 2.087 -1.232 -1.537 1.00 0.00 N ATOM 53 CA GLY A 5 3.136 -0.532 -0.745 1.00 0.00 C ATOM 54 C GLY A 5 2.572 0.776 -0.190 1.00 0.00 C ATOM 55 O GLY A 5 2.284 0.888 0.984 1.00 0.00 O ATOM 56 H GLY A 5 1.401 -1.761 -1.080 1.00 0.00 H ATOM 57 HA2 GLY A 5 3.451 -1.166 0.072 1.00 0.00 H ATOM 58 HA3 GLY A 5 3.982 -0.315 -1.379 1.00 0.00 H ATOM 59 N CYS A 6 2.410 1.763 -1.033 1.00 0.00 N ATOM 60 CA CYS A 6 1.863 3.083 -0.577 1.00 0.00 C ATOM 61 C CYS A 6 2.153 4.164 -1.631 1.00 0.00 C ATOM 62 O CYS A 6 3.284 4.562 -1.828 1.00 0.00 O ATOM 63 CB CYS A 6 2.598 3.424 0.726 1.00 0.00 C ATOM 64 SG CYS A 6 4.359 3.029 0.565 1.00 0.00 S ATOM 65 H CYS A 6 2.646 1.635 -1.974 1.00 0.00 H ATOM 66 HA CYS A 6 0.799 3.003 -0.388 1.00 0.00 H ATOM 67 HB2 CYS A 6 2.488 4.479 0.929 1.00 0.00 H ATOM 68 HB3 CYS A 6 2.173 2.859 1.540 1.00 0.00 H ATOM 69 HG CYS A 6 4.747 3.648 -0.058 1.00 0.00 H ATOM 70 N SER A 7 1.144 4.641 -2.306 1.00 0.00 N ATOM 71 CA SER A 7 1.338 5.689 -3.341 1.00 0.00 C ATOM 72 C SER A 7 -0.051 6.068 -3.812 1.00 0.00 C ATOM 73 O SER A 7 -0.425 7.221 -3.887 1.00 0.00 O ATOM 74 CB SER A 7 2.131 5.011 -4.452 1.00 0.00 C ATOM 75 OG SER A 7 2.979 5.966 -5.075 1.00 0.00 O ATOM 76 H SER A 7 0.234 4.312 -2.137 1.00 0.00 H ATOM 77 HA SER A 7 1.867 6.541 -2.943 1.00 0.00 H ATOM 78 HB2 SER A 7 2.730 4.221 -4.034 1.00 0.00 H ATOM 79 HB3 SER A 7 1.444 4.595 -5.176 1.00 0.00 H ATOM 80 HG SER A 7 3.873 5.822 -4.757 1.00 0.00 H ATOM 81 N ARG A 8 -0.831 5.064 -4.063 1.00 0.00 N ATOM 82 CA ARG A 8 -2.238 5.267 -4.461 1.00 0.00 C ATOM 83 C ARG A 8 -3.036 4.122 -3.849 1.00 0.00 C ATOM 84 O ARG A 8 -3.562 3.272 -4.540 1.00 0.00 O ATOM 85 CB ARG A 8 -2.289 5.240 -6.000 1.00 0.00 C ATOM 86 CG ARG A 8 -1.065 4.511 -6.574 1.00 0.00 C ATOM 87 CD ARG A 8 -1.124 3.028 -6.201 1.00 0.00 C ATOM 88 NE ARG A 8 0.299 2.607 -6.074 1.00 0.00 N ATOM 89 CZ ARG A 8 0.867 1.929 -7.034 1.00 0.00 C ATOM 90 NH1 ARG A 8 0.336 0.810 -7.445 1.00 0.00 N ATOM 91 NH2 ARG A 8 1.965 2.372 -7.583 1.00 0.00 N ATOM 92 H ARG A 8 -0.495 4.151 -3.943 1.00 0.00 H ATOM 93 HA ARG A 8 -2.576 6.206 -4.076 1.00 0.00 H ATOM 94 HB2 ARG A 8 -3.187 4.732 -6.316 1.00 0.00 H ATOM 95 HB3 ARG A 8 -2.305 6.255 -6.373 1.00 0.00 H ATOM 96 HG2 ARG A 8 -1.061 4.610 -7.651 1.00 0.00 H ATOM 97 HG3 ARG A 8 -0.164 4.947 -6.170 1.00 0.00 H ATOM 98 HD2 ARG A 8 -1.640 2.897 -5.261 1.00 0.00 H ATOM 99 HD3 ARG A 8 -1.609 2.461 -6.980 1.00 0.00 H ATOM 100 HE ARG A 8 0.808 2.838 -5.268 1.00 0.00 H ATOM 101 HH11 ARG A 8 -0.505 0.472 -7.025 1.00 0.00 H ATOM 102 HH12 ARG A 8 0.772 0.291 -8.180 1.00 0.00 H ATOM 103 HH21 ARG A 8 2.372 3.230 -7.268 1.00 0.00 H ATOM 104 HH22 ARG A 8 2.401 1.852 -8.318 1.00 0.00 H ATOM 105 N PRO A 9 -3.026 4.120 -2.546 1.00 0.00 N ATOM 106 CA PRO A 9 -3.671 3.049 -1.765 1.00 0.00 C ATOM 107 C PRO A 9 -5.174 3.121 -1.711 1.00 0.00 C ATOM 108 O PRO A 9 -5.849 3.910 -2.341 1.00 0.00 O ATOM 109 CB PRO A 9 -3.117 3.233 -0.355 1.00 0.00 C ATOM 110 CG PRO A 9 -2.718 4.661 -0.282 1.00 0.00 C ATOM 111 CD PRO A 9 -2.410 5.129 -1.680 1.00 0.00 C ATOM 112 HA PRO A 9 -3.380 2.097 -2.118 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.884 3.025 0.383 1.00 0.00 H ATOM 114 HB3 PRO A 9 -2.264 2.599 -0.187 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.531 5.236 0.128 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.842 4.757 0.333 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.851 6.101 -1.856 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.346 5.162 -1.843 1.00 0.00 H ATOM 119 N GLY A 10 -5.641 2.282 -0.867 1.00 0.00 N ATOM 120 CA GLY A 10 -7.057 2.135 -0.528 1.00 0.00 C ATOM 121 C GLY A 10 -6.947 1.647 0.902 1.00 0.00 C ATOM 122 O GLY A 10 -7.631 0.754 1.362 1.00 0.00 O ATOM 123 H GLY A 10 -4.996 1.731 -0.365 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.560 3.088 -0.595 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.522 1.389 -1.147 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 5 ATOM 1 N MET A 1 -5.860 2.263 1.457 1.00 0.00 N ATOM 2 CA MET A 1 -5.534 2.164 2.883 1.00 0.00 C ATOM 3 C MET A 1 -4.339 1.222 3.049 1.00 0.00 C ATOM 4 O MET A 1 -4.428 0.167 3.645 1.00 0.00 O ATOM 5 CB MET A 1 -6.782 1.664 3.616 1.00 0.00 C ATOM 6 CG MET A 1 -6.636 1.931 5.115 1.00 0.00 C ATOM 7 SD MET A 1 -8.243 2.403 5.803 1.00 0.00 S ATOM 8 CE MET A 1 -7.754 2.400 7.546 1.00 0.00 C ATOM 9 H1 MET A 1 -5.360 2.910 0.932 1.00 0.00 H ATOM 10 HA MET A 1 -5.252 3.135 3.212 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.653 2.182 3.240 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.896 0.602 3.451 1.00 0.00 H ATOM 13 HG2 MET A 1 -6.283 1.037 5.607 1.00 0.00 H ATOM 14 HG3 MET A 1 -5.929 2.732 5.270 1.00 0.00 H ATOM 15 HE1 MET A 1 -6.840 1.833 7.661 1.00 0.00 H ATOM 16 HE2 MET A 1 -8.539 1.953 8.138 1.00 0.00 H ATOM 17 HE3 MET A 1 -7.590 3.413 7.876 1.00 0.00 H ATOM 18 N ASP A 2 -3.212 1.623 2.508 1.00 0.00 N ATOM 19 CA ASP A 2 -1.969 0.799 2.597 1.00 0.00 C ATOM 20 C ASP A 2 -2.062 -0.410 1.663 1.00 0.00 C ATOM 21 O ASP A 2 -2.084 -1.545 2.095 1.00 0.00 O ATOM 22 CB ASP A 2 -1.880 0.349 4.057 1.00 0.00 C ATOM 23 CG ASP A 2 -0.463 0.591 4.581 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.209 1.682 5.063 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.342 -0.320 4.492 1.00 0.00 O ATOM 26 H ASP A 2 -3.185 2.481 2.036 1.00 0.00 H ATOM 27 HA ASP A 2 -1.103 1.401 2.340 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.586 0.913 4.650 1.00 0.00 H ATOM 29 HB3 ASP A 2 -2.112 -0.702 4.125 1.00 0.00 H ATOM 30 N CYS A 3 -2.101 -0.168 0.382 1.00 0.00 N ATOM 31 CA CYS A 3 -2.175 -1.292 -0.593 1.00 0.00 C ATOM 32 C CYS A 3 -0.772 -1.676 -1.037 1.00 0.00 C ATOM 33 O CYS A 3 0.212 -1.162 -0.545 1.00 0.00 O ATOM 34 CB CYS A 3 -2.982 -0.744 -1.770 1.00 0.00 C ATOM 35 SG CYS A 3 -3.961 -2.078 -2.504 1.00 0.00 S ATOM 36 H CYS A 3 -2.070 0.757 0.059 1.00 0.00 H ATOM 37 HA CYS A 3 -2.675 -2.147 -0.168 1.00 0.00 H ATOM 38 HB2 CYS A 3 -3.641 0.037 -1.423 1.00 0.00 H ATOM 39 HB3 CYS A 3 -2.308 -0.342 -2.513 1.00 0.00 H ATOM 40 HG CYS A 3 -4.888 -1.891 -2.338 1.00 0.00 H ATOM 41 N SER A 4 -0.675 -2.580 -1.961 1.00 0.00 N ATOM 42 CA SER A 4 0.659 -3.010 -2.447 1.00 0.00 C ATOM 43 C SER A 4 1.341 -1.861 -3.195 1.00 0.00 C ATOM 44 O SER A 4 1.666 -1.970 -4.360 1.00 0.00 O ATOM 45 CB SER A 4 0.346 -4.170 -3.381 1.00 0.00 C ATOM 46 OG SER A 4 1.498 -4.486 -4.151 1.00 0.00 O ATOM 47 H SER A 4 -1.485 -2.981 -2.338 1.00 0.00 H ATOM 48 HA SER A 4 1.272 -3.349 -1.627 1.00 0.00 H ATOM 49 HB2 SER A 4 0.056 -5.029 -2.798 1.00 0.00 H ATOM 50 HB3 SER A 4 -0.474 -3.888 -4.030 1.00 0.00 H ATOM 51 HG SER A 4 1.344 -5.328 -4.584 1.00 0.00 H ATOM 52 N GLY A 5 1.555 -0.760 -2.527 1.00 0.00 N ATOM 53 CA GLY A 5 2.210 0.404 -3.186 1.00 0.00 C ATOM 54 C GLY A 5 1.770 1.691 -2.484 1.00 0.00 C ATOM 55 O GLY A 5 0.966 2.443 -2.996 1.00 0.00 O ATOM 56 H GLY A 5 1.282 -0.698 -1.589 1.00 0.00 H ATOM 57 HA2 GLY A 5 3.284 0.300 -3.116 1.00 0.00 H ATOM 58 HA3 GLY A 5 1.916 0.445 -4.223 1.00 0.00 H ATOM 59 N CYS A 6 2.291 1.947 -1.313 1.00 0.00 N ATOM 60 CA CYS A 6 1.905 3.183 -0.571 1.00 0.00 C ATOM 61 C CYS A 6 2.130 4.418 -1.450 1.00 0.00 C ATOM 62 O CYS A 6 3.155 5.067 -1.388 1.00 0.00 O ATOM 63 CB CYS A 6 2.829 3.234 0.634 1.00 0.00 C ATOM 64 SG CYS A 6 2.724 1.677 1.553 1.00 0.00 S ATOM 65 H CYS A 6 2.933 1.326 -0.920 1.00 0.00 H ATOM 66 HA CYS A 6 0.873 3.121 -0.241 1.00 0.00 H ATOM 67 HB2 CYS A 6 3.841 3.390 0.298 1.00 0.00 H ATOM 68 HB3 CYS A 6 2.530 4.052 1.273 1.00 0.00 H ATOM 69 HG CYS A 6 2.595 0.967 0.919 1.00 0.00 H ATOM 70 N SER A 7 1.173 4.734 -2.259 1.00 0.00 N ATOM 71 CA SER A 7 1.263 5.906 -3.162 1.00 0.00 C ATOM 72 C SER A 7 -0.128 6.072 -3.731 1.00 0.00 C ATOM 73 O SER A 7 -0.708 7.140 -3.738 1.00 0.00 O ATOM 74 CB SER A 7 2.266 5.514 -4.243 1.00 0.00 C ATOM 75 OG SER A 7 3.099 6.626 -4.539 1.00 0.00 O ATOM 76 H SER A 7 0.359 4.188 -2.279 1.00 0.00 H ATOM 77 HA SER A 7 1.581 6.789 -2.629 1.00 0.00 H ATOM 78 HB2 SER A 7 2.875 4.697 -3.890 1.00 0.00 H ATOM 79 HB3 SER A 7 1.731 5.203 -5.129 1.00 0.00 H ATOM 80 HG SER A 7 2.557 7.298 -4.961 1.00 0.00 H ATOM 81 N ARG A 8 -0.686 4.971 -4.137 1.00 0.00 N ATOM 82 CA ARG A 8 -2.067 4.967 -4.638 1.00 0.00 C ATOM 83 C ARG A 8 -2.788 3.813 -3.947 1.00 0.00 C ATOM 84 O ARG A 8 -3.237 2.875 -4.576 1.00 0.00 O ATOM 85 CB ARG A 8 -1.971 4.758 -6.145 1.00 0.00 C ATOM 86 CG ARG A 8 -1.163 5.900 -6.753 1.00 0.00 C ATOM 87 CD ARG A 8 -0.048 5.328 -7.625 1.00 0.00 C ATOM 88 NE ARG A 8 0.615 4.287 -6.788 1.00 0.00 N ATOM 89 CZ ARG A 8 1.545 3.532 -7.306 1.00 0.00 C ATOM 90 NH1 ARG A 8 1.231 2.614 -8.178 1.00 0.00 N ATOM 91 NH2 ARG A 8 2.791 3.694 -6.950 1.00 0.00 N ATOM 92 H ARG A 8 -0.199 4.125 -4.067 1.00 0.00 H ATOM 93 HA ARG A 8 -2.524 5.897 -4.405 1.00 0.00 H ATOM 94 HB2 ARG A 8 -1.483 3.815 -6.349 1.00 0.00 H ATOM 95 HB3 ARG A 8 -2.962 4.751 -6.574 1.00 0.00 H ATOM 96 HG2 ARG A 8 -1.811 6.519 -7.356 1.00 0.00 H ATOM 97 HG3 ARG A 8 -0.728 6.495 -5.963 1.00 0.00 H ATOM 98 HD2 ARG A 8 -0.467 4.885 -8.516 1.00 0.00 H ATOM 99 HD3 ARG A 8 0.657 6.100 -7.881 1.00 0.00 H ATOM 100 HE ARG A 8 0.354 4.170 -5.851 1.00 0.00 H ATOM 101 HH11 ARG A 8 0.276 2.490 -8.451 1.00 0.00 H ATOM 102 HH12 ARG A 8 1.943 2.036 -8.574 1.00 0.00 H ATOM 103 HH21 ARG A 8 3.032 4.398 -6.281 1.00 0.00 H ATOM 104 HH22 ARG A 8 3.503 3.115 -7.346 1.00 0.00 H ATOM 105 N PRO A 9 -2.807 3.916 -2.647 1.00 0.00 N ATOM 106 CA PRO A 9 -3.397 2.867 -1.787 1.00 0.00 C ATOM 107 C PRO A 9 -4.901 2.794 -1.826 1.00 0.00 C ATOM 108 O PRO A 9 -5.599 3.437 -2.586 1.00 0.00 O ATOM 109 CB PRO A 9 -2.958 3.257 -0.375 1.00 0.00 C ATOM 110 CG PRO A 9 -2.711 4.718 -0.448 1.00 0.00 C ATOM 111 CD PRO A 9 -2.281 5.032 -1.855 1.00 0.00 C ATOM 112 HA PRO A 9 -2.994 1.917 -2.015 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.748 3.050 0.338 1.00 0.00 H ATOM 114 HB3 PRO A 9 -2.059 2.741 -0.090 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.620 5.247 -0.214 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.930 4.987 0.239 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.713 5.969 -2.180 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.207 5.064 -1.924 1.00 0.00 H ATOM 119 N GLY A 10 -5.351 2.018 -0.915 1.00 0.00 N ATOM 120 CA GLY A 10 -6.771 1.781 -0.651 1.00 0.00 C ATOM 121 C GLY A 10 -6.733 1.507 0.838 1.00 0.00 C ATOM 122 O GLY A 10 -7.374 0.627 1.376 1.00 0.00 O ATOM 123 H GLY A 10 -4.700 1.591 -0.310 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.348 2.662 -0.887 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.118 0.916 -1.186 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 6 ATOM 1 N MET A 1 -5.594 2.317 1.253 1.00 0.00 N ATOM 2 CA MET A 1 -5.238 2.214 2.672 1.00 0.00 C ATOM 3 C MET A 1 -4.004 1.317 2.811 1.00 0.00 C ATOM 4 O MET A 1 -4.099 0.117 2.978 1.00 0.00 O ATOM 5 CB MET A 1 -6.453 1.661 3.423 1.00 0.00 C ATOM 6 CG MET A 1 -6.350 2.031 4.904 1.00 0.00 C ATOM 7 SD MET A 1 -7.054 0.700 5.909 1.00 0.00 S ATOM 8 CE MET A 1 -6.318 1.194 7.486 1.00 0.00 C ATOM 9 H1 MET A 1 -5.119 2.980 0.725 1.00 0.00 H ATOM 10 HA MET A 1 -4.987 3.192 3.005 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.356 2.084 3.008 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.479 0.586 3.324 1.00 0.00 H ATOM 13 HG2 MET A 1 -5.311 2.172 5.168 1.00 0.00 H ATOM 14 HG3 MET A 1 -6.894 2.946 5.086 1.00 0.00 H ATOM 15 HE1 MET A 1 -5.244 1.078 7.435 1.00 0.00 H ATOM 16 HE2 MET A 1 -6.714 0.573 8.278 1.00 0.00 H ATOM 17 HE3 MET A 1 -6.556 2.225 7.690 1.00 0.00 H ATOM 18 N ASP A 2 -2.842 1.918 2.719 1.00 0.00 N ATOM 19 CA ASP A 2 -1.561 1.154 2.820 1.00 0.00 C ATOM 20 C ASP A 2 -1.642 -0.135 2.000 1.00 0.00 C ATOM 21 O ASP A 2 -1.118 -1.162 2.382 1.00 0.00 O ATOM 22 CB ASP A 2 -1.382 0.852 4.312 1.00 0.00 C ATOM 23 CG ASP A 2 -2.284 -0.313 4.724 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.862 -1.447 4.571 1.00 0.00 O ATOM 25 OD2 ASP A 2 -3.382 -0.051 5.189 1.00 0.00 O ATOM 26 H ASP A 2 -2.811 2.886 2.571 1.00 0.00 H ATOM 27 HA ASP A 2 -0.736 1.765 2.466 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.351 0.592 4.503 1.00 0.00 H ATOM 29 HB3 ASP A 2 -1.643 1.727 4.888 1.00 0.00 H ATOM 30 N CYS A 3 -2.278 -0.079 0.864 1.00 0.00 N ATOM 31 CA CYS A 3 -2.379 -1.290 0.003 1.00 0.00 C ATOM 32 C CYS A 3 -0.995 -1.680 -0.496 1.00 0.00 C ATOM 33 O CYS A 3 -0.015 -1.589 0.216 1.00 0.00 O ATOM 34 CB CYS A 3 -3.278 -0.872 -1.162 1.00 0.00 C ATOM 35 SG CYS A 3 -4.225 -2.303 -1.737 1.00 0.00 S ATOM 36 H CYS A 3 -2.680 0.764 0.568 1.00 0.00 H ATOM 37 HA CYS A 3 -2.824 -2.112 0.535 1.00 0.00 H ATOM 38 HB2 CYS A 3 -3.956 -0.099 -0.833 1.00 0.00 H ATOM 39 HB3 CYS A 3 -2.667 -0.495 -1.970 1.00 0.00 H ATOM 40 HG CYS A 3 -4.700 -2.665 -0.986 1.00 0.00 H ATOM 41 N SER A 4 -0.908 -2.120 -1.711 1.00 0.00 N ATOM 42 CA SER A 4 0.407 -2.526 -2.258 1.00 0.00 C ATOM 43 C SER A 4 0.943 -1.438 -3.194 1.00 0.00 C ATOM 44 O SER A 4 1.487 -1.718 -4.242 1.00 0.00 O ATOM 45 CB SER A 4 0.102 -3.811 -3.013 1.00 0.00 C ATOM 46 OG SER A 4 1.093 -4.025 -4.011 1.00 0.00 O ATOM 47 H SER A 4 -1.712 -2.191 -2.266 1.00 0.00 H ATOM 48 HA SER A 4 1.106 -2.721 -1.462 1.00 0.00 H ATOM 49 HB2 SER A 4 0.102 -4.639 -2.323 1.00 0.00 H ATOM 50 HB3 SER A 4 -0.877 -3.729 -3.469 1.00 0.00 H ATOM 51 HG SER A 4 1.087 -4.957 -4.239 1.00 0.00 H ATOM 52 N GLY A 5 0.790 -0.197 -2.814 1.00 0.00 N ATOM 53 CA GLY A 5 1.288 0.915 -3.674 1.00 0.00 C ATOM 54 C GLY A 5 1.980 1.966 -2.802 1.00 0.00 C ATOM 55 O GLY A 5 3.069 2.415 -3.102 1.00 0.00 O ATOM 56 H GLY A 5 0.347 0.003 -1.963 1.00 0.00 H ATOM 57 HA2 GLY A 5 1.991 0.524 -4.395 1.00 0.00 H ATOM 58 HA3 GLY A 5 0.457 1.370 -4.190 1.00 0.00 H ATOM 59 N CYS A 6 1.358 2.364 -1.724 1.00 0.00 N ATOM 60 CA CYS A 6 1.985 3.389 -0.836 1.00 0.00 C ATOM 61 C CYS A 6 2.155 4.710 -1.599 1.00 0.00 C ATOM 62 O CYS A 6 3.097 5.448 -1.393 1.00 0.00 O ATOM 63 CB CYS A 6 3.348 2.810 -0.478 1.00 0.00 C ATOM 64 SG CYS A 6 3.423 2.488 1.301 1.00 0.00 S ATOM 65 H CYS A 6 0.481 1.991 -1.498 1.00 0.00 H ATOM 66 HA CYS A 6 1.391 3.528 0.061 1.00 0.00 H ATOM 67 HB2 CYS A 6 3.496 1.888 -1.020 1.00 0.00 H ATOM 68 HB3 CYS A 6 4.117 3.516 -0.751 1.00 0.00 H ATOM 69 HG CYS A 6 4.287 2.761 1.616 1.00 0.00 H ATOM 70 N SER A 7 1.236 5.004 -2.471 1.00 0.00 N ATOM 71 CA SER A 7 1.283 6.257 -3.268 1.00 0.00 C ATOM 72 C SER A 7 -0.128 6.441 -3.780 1.00 0.00 C ATOM 73 O SER A 7 -0.749 7.473 -3.624 1.00 0.00 O ATOM 74 CB SER A 7 2.261 5.990 -4.411 1.00 0.00 C ATOM 75 OG SER A 7 2.857 7.216 -4.814 1.00 0.00 O ATOM 76 H SER A 7 0.479 4.392 -2.605 1.00 0.00 H ATOM 77 HA SER A 7 1.597 7.095 -2.666 1.00 0.00 H ATOM 78 HB2 SER A 7 3.031 5.314 -4.080 1.00 0.00 H ATOM 79 HB3 SER A 7 1.729 5.547 -5.243 1.00 0.00 H ATOM 80 HG SER A 7 3.619 7.010 -5.361 1.00 0.00 H ATOM 81 N ARG A 8 -0.657 5.381 -4.315 1.00 0.00 N ATOM 82 CA ARG A 8 -2.058 5.387 -4.767 1.00 0.00 C ATOM 83 C ARG A 8 -2.734 4.175 -4.130 1.00 0.00 C ATOM 84 O ARG A 8 -3.217 3.287 -4.803 1.00 0.00 O ATOM 85 CB ARG A 8 -2.049 5.297 -6.304 1.00 0.00 C ATOM 86 CG ARG A 8 -0.734 4.688 -6.810 1.00 0.00 C ATOM 87 CD ARG A 8 -0.661 3.211 -6.414 1.00 0.00 C ATOM 88 NE ARG A 8 0.773 2.970 -6.092 1.00 0.00 N ATOM 89 CZ ARG A 8 1.645 2.828 -7.054 1.00 0.00 C ATOM 90 NH1 ARG A 8 1.300 3.065 -8.291 1.00 0.00 N ATOM 91 NH2 ARG A 8 2.862 2.449 -6.778 1.00 0.00 N ATOM 92 H ARG A 8 -0.139 4.552 -4.369 1.00 0.00 H ATOM 93 HA ARG A 8 -2.520 6.286 -4.433 1.00 0.00 H ATOM 94 HB2 ARG A 8 -2.875 4.681 -6.628 1.00 0.00 H ATOM 95 HB3 ARG A 8 -2.164 6.289 -6.718 1.00 0.00 H ATOM 96 HG2 ARG A 8 -0.689 4.774 -7.885 1.00 0.00 H ATOM 97 HG3 ARG A 8 0.099 5.216 -6.373 1.00 0.00 H ATOM 98 HD2 ARG A 8 -1.278 3.023 -5.548 1.00 0.00 H ATOM 99 HD3 ARG A 8 -0.965 2.584 -7.238 1.00 0.00 H ATOM 100 HE ARG A 8 1.064 2.920 -5.158 1.00 0.00 H ATOM 101 HH11 ARG A 8 0.369 3.356 -8.504 1.00 0.00 H ATOM 102 HH12 ARG A 8 1.970 2.955 -9.026 1.00 0.00 H ATOM 103 HH21 ARG A 8 3.127 2.268 -5.831 1.00 0.00 H ATOM 104 HH22 ARG A 8 3.531 2.339 -7.513 1.00 0.00 H ATOM 105 N PRO A 9 -2.681 4.177 -2.823 1.00 0.00 N ATOM 106 CA PRO A 9 -3.220 3.063 -2.009 1.00 0.00 C ATOM 107 C PRO A 9 -4.722 2.949 -2.015 1.00 0.00 C ATOM 108 O PRO A 9 -5.455 3.607 -2.726 1.00 0.00 O ATOM 109 CB PRO A 9 -2.756 3.389 -0.588 1.00 0.00 C ATOM 110 CG PRO A 9 -2.554 4.856 -0.593 1.00 0.00 C ATOM 111 CD PRO A 9 -2.113 5.232 -1.977 1.00 0.00 C ATOM 112 HA PRO A 9 -2.797 2.138 -2.299 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.519 3.120 0.133 1.00 0.00 H ATOM 114 HB3 PRO A 9 -1.835 2.886 -0.353 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.482 5.348 -0.352 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.791 5.120 0.116 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.510 6.200 -2.251 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.041 5.225 -2.044 1.00 0.00 H ATOM 119 N GLY A 10 -5.131 2.120 -1.129 1.00 0.00 N ATOM 120 CA GLY A 10 -6.537 1.839 -0.841 1.00 0.00 C ATOM 121 C GLY A 10 -6.464 1.549 0.642 1.00 0.00 C ATOM 122 O GLY A 10 -7.078 0.651 1.184 1.00 0.00 O ATOM 123 H GLY A 10 -4.457 1.685 -0.556 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.145 2.707 -1.056 1.00 0.00 H ATOM 125 HA3 GLY A 10 -6.869 0.972 -1.381 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 7 ATOM 1 N MET A 1 -6.113 1.769 1.294 1.00 0.00 N ATOM 2 CA MET A 1 -5.635 1.819 2.665 1.00 0.00 C ATOM 3 C MET A 1 -4.399 0.924 2.820 1.00 0.00 C ATOM 4 O MET A 1 -4.437 -0.119 3.441 1.00 0.00 O ATOM 5 CB MET A 1 -6.802 1.353 3.519 1.00 0.00 C ATOM 6 CG MET A 1 -6.509 1.634 4.995 1.00 0.00 C ATOM 7 SD MET A 1 -7.953 2.411 5.759 1.00 0.00 S ATOM 8 CE MET A 1 -7.468 2.147 7.482 1.00 0.00 C ATOM 9 H1 MET A 1 -5.745 1.099 0.698 1.00 0.00 H ATOM 10 HA MET A 1 -5.370 2.827 2.875 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.694 1.882 3.216 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.945 0.294 3.374 1.00 0.00 H ATOM 13 HG2 MET A 1 -6.290 0.706 5.501 1.00 0.00 H ATOM 14 HG3 MET A 1 -5.659 2.297 5.073 1.00 0.00 H ATOM 15 HE1 MET A 1 -7.116 1.132 7.604 1.00 0.00 H ATOM 16 HE2 MET A 1 -8.319 2.318 8.126 1.00 0.00 H ATOM 17 HE3 MET A 1 -6.679 2.833 7.745 1.00 0.00 H ATOM 18 N ASP A 2 -3.294 1.354 2.256 1.00 0.00 N ATOM 19 CA ASP A 2 -2.018 0.577 2.351 1.00 0.00 C ATOM 20 C ASP A 2 -2.042 -0.646 1.430 1.00 0.00 C ATOM 21 O ASP A 2 -2.256 -1.760 1.861 1.00 0.00 O ATOM 22 CB ASP A 2 -1.911 0.146 3.816 1.00 0.00 C ATOM 23 CG ASP A 2 -0.491 0.405 4.323 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.144 1.562 4.486 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.224 -0.559 4.538 1.00 0.00 O ATOM 26 H ASP A 2 -3.302 2.207 1.772 1.00 0.00 H ATOM 27 HA ASP A 2 -1.179 1.212 2.095 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.615 0.712 4.409 1.00 0.00 H ATOM 29 HB3 ASP A 2 -2.135 -0.907 3.898 1.00 0.00 H ATOM 30 N CYS A 3 -1.792 -0.441 0.166 1.00 0.00 N ATOM 31 CA CYS A 3 -1.763 -1.585 -0.791 1.00 0.00 C ATOM 32 C CYS A 3 -0.570 -1.423 -1.725 1.00 0.00 C ATOM 33 O CYS A 3 -0.111 -0.327 -1.976 1.00 0.00 O ATOM 34 CB CYS A 3 -3.091 -1.527 -1.556 1.00 0.00 C ATOM 35 SG CYS A 3 -3.008 -0.295 -2.883 1.00 0.00 S ATOM 36 H CYS A 3 -1.602 0.465 -0.154 1.00 0.00 H ATOM 37 HA CYS A 3 -1.685 -2.517 -0.261 1.00 0.00 H ATOM 38 HB2 CYS A 3 -3.297 -2.497 -1.984 1.00 0.00 H ATOM 39 HB3 CYS A 3 -3.885 -1.264 -0.872 1.00 0.00 H ATOM 40 HG CYS A 3 -3.051 -0.760 -3.722 1.00 0.00 H ATOM 41 N SER A 4 -0.060 -2.499 -2.239 1.00 0.00 N ATOM 42 CA SER A 4 1.104 -2.384 -3.149 1.00 0.00 C ATOM 43 C SER A 4 2.192 -1.540 -2.487 1.00 0.00 C ATOM 44 O SER A 4 3.015 -0.935 -3.145 1.00 0.00 O ATOM 45 CB SER A 4 0.542 -1.688 -4.379 1.00 0.00 C ATOM 46 OG SER A 4 1.594 -1.422 -5.298 1.00 0.00 O ATOM 47 H SER A 4 -0.439 -3.375 -2.030 1.00 0.00 H ATOM 48 HA SER A 4 1.483 -3.353 -3.408 1.00 0.00 H ATOM 49 HB2 SER A 4 -0.190 -2.325 -4.846 1.00 0.00 H ATOM 50 HB3 SER A 4 0.068 -0.763 -4.075 1.00 0.00 H ATOM 51 HG SER A 4 1.872 -0.512 -5.173 1.00 0.00 H ATOM 52 N GLY A 5 2.198 -1.496 -1.184 1.00 0.00 N ATOM 53 CA GLY A 5 3.226 -0.696 -0.468 1.00 0.00 C ATOM 54 C GLY A 5 2.614 0.631 -0.019 1.00 0.00 C ATOM 55 O GLY A 5 2.292 0.812 1.137 1.00 0.00 O ATOM 56 H GLY A 5 1.522 -1.992 -0.674 1.00 0.00 H ATOM 57 HA2 GLY A 5 3.573 -1.245 0.396 1.00 0.00 H ATOM 58 HA3 GLY A 5 4.056 -0.501 -1.129 1.00 0.00 H ATOM 59 N CYS A 6 2.449 1.553 -0.935 1.00 0.00 N ATOM 60 CA CYS A 6 1.853 2.888 -0.592 1.00 0.00 C ATOM 61 C CYS A 6 2.185 3.916 -1.685 1.00 0.00 C ATOM 62 O CYS A 6 3.320 4.322 -1.840 1.00 0.00 O ATOM 63 CB CYS A 6 2.502 3.326 0.728 1.00 0.00 C ATOM 64 SG CYS A 6 4.280 2.981 0.685 1.00 0.00 S ATOM 65 H CYS A 6 2.712 1.361 -1.859 1.00 0.00 H ATOM 66 HA CYS A 6 0.783 2.800 -0.462 1.00 0.00 H ATOM 67 HB2 CYS A 6 2.349 4.387 0.863 1.00 0.00 H ATOM 68 HB3 CYS A 6 2.049 2.795 1.550 1.00 0.00 H ATOM 69 HG CYS A 6 4.746 3.809 0.826 1.00 0.00 H ATOM 70 N SER A 7 1.208 4.350 -2.434 1.00 0.00 N ATOM 71 CA SER A 7 1.452 5.350 -3.498 1.00 0.00 C ATOM 72 C SER A 7 0.088 5.816 -3.970 1.00 0.00 C ATOM 73 O SER A 7 -0.190 6.994 -4.077 1.00 0.00 O ATOM 74 CB SER A 7 2.192 4.597 -4.592 1.00 0.00 C ATOM 75 OG SER A 7 3.557 4.996 -4.601 1.00 0.00 O ATOM 76 H SER A 7 0.294 4.024 -2.299 1.00 0.00 H ATOM 77 HA SER A 7 2.040 6.175 -3.128 1.00 0.00 H ATOM 78 HB2 SER A 7 2.132 3.538 -4.401 1.00 0.00 H ATOM 79 HB3 SER A 7 1.735 4.817 -5.546 1.00 0.00 H ATOM 80 HG SER A 7 4.087 4.236 -4.853 1.00 0.00 H ATOM 81 N ARG A 8 -0.786 4.877 -4.189 1.00 0.00 N ATOM 82 CA ARG A 8 -2.166 5.222 -4.584 1.00 0.00 C ATOM 83 C ARG A 8 -3.110 4.123 -4.079 1.00 0.00 C ATOM 84 O ARG A 8 -3.751 3.427 -4.836 1.00 0.00 O ATOM 85 CB ARG A 8 -2.141 5.366 -6.119 1.00 0.00 C ATOM 86 CG ARG A 8 -2.314 4.017 -6.840 1.00 0.00 C ATOM 87 CD ARG A 8 -1.420 2.938 -6.214 1.00 0.00 C ATOM 88 NE ARG A 8 -0.021 3.372 -6.477 1.00 0.00 N ATOM 89 CZ ARG A 8 0.334 3.769 -7.669 1.00 0.00 C ATOM 90 NH1 ARG A 8 0.349 2.922 -8.661 1.00 0.00 N ATOM 91 NH2 ARG A 8 0.676 5.012 -7.868 1.00 0.00 N ATOM 92 H ARG A 8 -0.540 3.940 -4.050 1.00 0.00 H ATOM 93 HA ARG A 8 -2.422 6.154 -4.124 1.00 0.00 H ATOM 94 HB2 ARG A 8 -2.939 6.025 -6.422 1.00 0.00 H ATOM 95 HB3 ARG A 8 -1.197 5.801 -6.413 1.00 0.00 H ATOM 96 HG2 ARG A 8 -3.345 3.708 -6.785 1.00 0.00 H ATOM 97 HG3 ARG A 8 -2.042 4.139 -7.878 1.00 0.00 H ATOM 98 HD2 ARG A 8 -1.594 2.865 -5.154 1.00 0.00 H ATOM 99 HD3 ARG A 8 -1.600 1.987 -6.688 1.00 0.00 H ATOM 100 HE ARG A 8 0.636 3.352 -5.752 1.00 0.00 H ATOM 101 HH11 ARG A 8 0.087 1.969 -8.509 1.00 0.00 H ATOM 102 HH12 ARG A 8 0.621 3.225 -9.574 1.00 0.00 H ATOM 103 HH21 ARG A 8 0.665 5.661 -7.108 1.00 0.00 H ATOM 104 HH22 ARG A 8 0.949 5.316 -8.781 1.00 0.00 H ATOM 105 N PRO A 9 -3.111 3.984 -2.783 1.00 0.00 N ATOM 106 CA PRO A 9 -3.908 2.939 -2.118 1.00 0.00 C ATOM 107 C PRO A 9 -5.337 3.307 -1.864 1.00 0.00 C ATOM 108 O PRO A 9 -5.851 4.353 -2.206 1.00 0.00 O ATOM 109 CB PRO A 9 -3.241 2.776 -0.759 1.00 0.00 C ATOM 110 CG PRO A 9 -2.553 4.069 -0.501 1.00 0.00 C ATOM 111 CD PRO A 9 -2.369 4.791 -1.815 1.00 0.00 C ATOM 112 HA PRO A 9 -3.857 2.023 -2.638 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.996 2.602 0.008 1.00 0.00 H ATOM 114 HB3 PRO A 9 -2.531 1.970 -0.768 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.160 4.665 0.160 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.593 3.879 -0.058 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.782 5.788 -1.757 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.328 4.829 -2.082 1.00 0.00 H ATOM 119 N GLY A 10 -5.908 2.426 -1.133 1.00 0.00 N ATOM 120 CA GLY A 10 -7.262 2.564 -0.621 1.00 0.00 C ATOM 121 C GLY A 10 -6.966 2.666 0.850 1.00 0.00 C ATOM 122 O GLY A 10 -7.391 3.568 1.544 1.00 0.00 O ATOM 123 H GLY A 10 -5.374 1.671 -0.833 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.722 3.463 -1.009 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.844 1.686 -0.833 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 8 ATOM 1 N MET A 1 -5.940 2.759 1.472 1.00 0.00 N ATOM 2 CA MET A 1 -5.543 2.636 2.879 1.00 0.00 C ATOM 3 C MET A 1 -4.485 1.536 2.995 1.00 0.00 C ATOM 4 O MET A 1 -4.740 0.444 3.465 1.00 0.00 O ATOM 5 CB MET A 1 -6.800 2.332 3.699 1.00 0.00 C ATOM 6 CG MET A 1 -6.517 2.584 5.181 1.00 0.00 C ATOM 7 SD MET A 1 -7.480 1.424 6.184 1.00 0.00 S ATOM 8 CE MET A 1 -6.255 0.093 6.229 1.00 0.00 C ATOM 9 H1 MET A 1 -5.371 3.301 0.898 1.00 0.00 H ATOM 10 HA MET A 1 -5.106 3.561 3.164 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.607 2.972 3.371 1.00 0.00 H ATOM 12 HB3 MET A 1 -7.081 1.298 3.559 1.00 0.00 H ATOM 13 HG2 MET A 1 -5.464 2.439 5.375 1.00 0.00 H ATOM 14 HG3 MET A 1 -6.795 3.596 5.434 1.00 0.00 H ATOM 15 HE1 MET A 1 -6.734 -0.843 5.973 1.00 0.00 H ATOM 16 HE2 MET A 1 -5.831 0.027 7.221 1.00 0.00 H ATOM 17 HE3 MET A 1 -5.471 0.299 5.518 1.00 0.00 H ATOM 18 N ASP A 2 -3.287 1.843 2.548 1.00 0.00 N ATOM 19 CA ASP A 2 -2.158 0.863 2.591 1.00 0.00 C ATOM 20 C ASP A 2 -2.308 -0.169 1.472 1.00 0.00 C ATOM 21 O ASP A 2 -2.969 -1.176 1.623 1.00 0.00 O ATOM 22 CB ASP A 2 -2.240 0.194 3.966 1.00 0.00 C ATOM 23 CG ASP A 2 -0.839 -0.227 4.413 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.009 0.642 4.535 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.638 -1.412 4.626 1.00 0.00 O ATOM 26 H ASP A 2 -3.132 2.735 2.172 1.00 0.00 H ATOM 27 HA ASP A 2 -1.214 1.384 2.489 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.653 0.891 4.680 1.00 0.00 H ATOM 29 HB3 ASP A 2 -2.873 -0.678 3.904 1.00 0.00 H ATOM 30 N CYS A 3 -1.692 0.079 0.347 1.00 0.00 N ATOM 31 CA CYS A 3 -1.789 -0.880 -0.791 1.00 0.00 C ATOM 32 C CYS A 3 -0.752 -0.543 -1.860 1.00 0.00 C ATOM 33 O CYS A 3 -0.334 0.589 -2.004 1.00 0.00 O ATOM 34 CB CYS A 3 -3.203 -0.702 -1.341 1.00 0.00 C ATOM 35 SG CYS A 3 -4.286 -1.976 -0.647 1.00 0.00 S ATOM 36 H CYS A 3 -1.164 0.899 0.249 1.00 0.00 H ATOM 37 HA CYS A 3 -1.651 -1.890 -0.450 1.00 0.00 H ATOM 38 HB2 CYS A 3 -3.576 0.274 -1.070 1.00 0.00 H ATOM 39 HB3 CYS A 3 -3.183 -0.795 -2.417 1.00 0.00 H ATOM 40 HG CYS A 3 -4.767 -1.588 0.087 1.00 0.00 H ATOM 41 N SER A 4 -0.348 -1.521 -2.619 1.00 0.00 N ATOM 42 CA SER A 4 0.646 -1.274 -3.694 1.00 0.00 C ATOM 43 C SER A 4 1.919 -0.627 -3.135 1.00 0.00 C ATOM 44 O SER A 4 2.619 0.084 -3.828 1.00 0.00 O ATOM 45 CB SER A 4 -0.072 -0.329 -4.645 1.00 0.00 C ATOM 46 OG SER A 4 0.811 0.054 -5.691 1.00 0.00 O ATOM 47 H SER A 4 -0.710 -2.418 -2.490 1.00 0.00 H ATOM 48 HA SER A 4 0.882 -2.194 -4.202 1.00 0.00 H ATOM 49 HB2 SER A 4 -0.929 -0.829 -5.063 1.00 0.00 H ATOM 50 HB3 SER A 4 -0.401 0.542 -4.096 1.00 0.00 H ATOM 51 HG SER A 4 1.609 0.407 -5.292 1.00 0.00 H ATOM 52 N GLY A 5 2.232 -0.874 -1.891 1.00 0.00 N ATOM 53 CA GLY A 5 3.467 -0.280 -1.301 1.00 0.00 C ATOM 54 C GLY A 5 3.219 1.185 -0.935 1.00 0.00 C ATOM 55 O GLY A 5 4.138 1.976 -0.848 1.00 0.00 O ATOM 56 H GLY A 5 1.659 -1.456 -1.349 1.00 0.00 H ATOM 57 HA2 GLY A 5 3.739 -0.832 -0.412 1.00 0.00 H ATOM 58 HA3 GLY A 5 4.270 -0.337 -2.019 1.00 0.00 H ATOM 59 N CYS A 6 1.989 1.552 -0.716 1.00 0.00 N ATOM 60 CA CYS A 6 1.685 2.967 -0.350 1.00 0.00 C ATOM 61 C CYS A 6 2.117 3.921 -1.473 1.00 0.00 C ATOM 62 O CYS A 6 3.267 4.302 -1.575 1.00 0.00 O ATOM 63 CB CYS A 6 2.499 3.241 0.910 1.00 0.00 C ATOM 64 SG CYS A 6 2.285 1.880 2.084 1.00 0.00 S ATOM 65 H CYS A 6 1.263 0.898 -0.788 1.00 0.00 H ATOM 66 HA CYS A 6 0.630 3.079 -0.134 1.00 0.00 H ATOM 67 HB2 CYS A 6 3.541 3.332 0.646 1.00 0.00 H ATOM 68 HB3 CYS A 6 2.158 4.162 1.358 1.00 0.00 H ATOM 69 HG CYS A 6 1.690 2.177 2.777 1.00 0.00 H ATOM 70 N SER A 7 1.197 4.306 -2.306 1.00 0.00 N ATOM 71 CA SER A 7 1.494 5.231 -3.427 1.00 0.00 C ATOM 72 C SER A 7 0.152 5.548 -4.053 1.00 0.00 C ATOM 73 O SER A 7 -0.220 6.686 -4.259 1.00 0.00 O ATOM 74 CB SER A 7 2.376 4.434 -4.378 1.00 0.00 C ATOM 75 OG SER A 7 3.685 4.988 -4.384 1.00 0.00 O ATOM 76 H SER A 7 0.279 3.985 -2.200 1.00 0.00 H ATOM 77 HA SER A 7 1.992 6.124 -3.081 1.00 0.00 H ATOM 78 HB2 SER A 7 2.423 3.410 -4.046 1.00 0.00 H ATOM 79 HB3 SER A 7 1.951 4.472 -5.369 1.00 0.00 H ATOM 80 HG SER A 7 3.603 5.945 -4.377 1.00 0.00 H ATOM 81 N ARG A 8 -0.604 4.514 -4.276 1.00 0.00 N ATOM 82 CA ARG A 8 -1.974 4.675 -4.798 1.00 0.00 C ATOM 83 C ARG A 8 -2.845 3.638 -4.080 1.00 0.00 C ATOM 84 O ARG A 8 -3.367 2.712 -4.662 1.00 0.00 O ATOM 85 CB ARG A 8 -1.880 4.482 -6.327 1.00 0.00 C ATOM 86 CG ARG A 8 -1.949 3.003 -6.741 1.00 0.00 C ATOM 87 CD ARG A 8 -0.983 2.158 -5.904 1.00 0.00 C ATOM 88 NE ARG A 8 0.374 2.702 -6.193 1.00 0.00 N ATOM 89 CZ ARG A 8 0.754 2.903 -7.426 1.00 0.00 C ATOM 90 NH1 ARG A 8 0.818 1.901 -8.260 1.00 0.00 N ATOM 91 NH2 ARG A 8 1.070 4.105 -7.825 1.00 0.00 N ATOM 92 H ARG A 8 -0.280 3.622 -4.039 1.00 0.00 H ATOM 93 HA ARG A 8 -2.314 5.661 -4.557 1.00 0.00 H ATOM 94 HB2 ARG A 8 -2.693 5.011 -6.796 1.00 0.00 H ATOM 95 HB3 ARG A 8 -0.945 4.899 -6.673 1.00 0.00 H ATOM 96 HG2 ARG A 8 -2.955 2.637 -6.616 1.00 0.00 H ATOM 97 HG3 ARG A 8 -1.674 2.920 -7.783 1.00 0.00 H ATOM 98 HD2 ARG A 8 -1.210 2.250 -4.855 1.00 0.00 H ATOM 99 HD3 ARG A 8 -1.034 1.125 -6.208 1.00 0.00 H ATOM 100 HE ARG A 8 0.984 2.903 -5.455 1.00 0.00 H ATOM 101 HH11 ARG A 8 0.575 0.980 -7.956 1.00 0.00 H ATOM 102 HH12 ARG A 8 1.108 2.054 -9.205 1.00 0.00 H ATOM 103 HH21 ARG A 8 1.021 4.871 -7.185 1.00 0.00 H ATOM 104 HH22 ARG A 8 1.362 4.258 -8.769 1.00 0.00 H ATOM 105 N PRO A 9 -2.895 3.816 -2.788 1.00 0.00 N ATOM 106 CA PRO A 9 -3.609 2.880 -1.901 1.00 0.00 C ATOM 107 C PRO A 9 -5.102 3.072 -1.854 1.00 0.00 C ATOM 108 O PRO A 9 -5.720 3.829 -2.577 1.00 0.00 O ATOM 109 CB PRO A 9 -3.031 3.174 -0.518 1.00 0.00 C ATOM 110 CG PRO A 9 -2.532 4.573 -0.590 1.00 0.00 C ATOM 111 CD PRO A 9 -2.292 4.920 -2.036 1.00 0.00 C ATOM 112 HA PRO A 9 -3.391 1.877 -2.151 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.801 3.097 0.238 1.00 0.00 H ATOM 114 HB3 PRO A 9 -2.221 2.505 -0.286 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.273 5.235 -0.174 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.611 4.651 -0.043 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.778 5.855 -2.282 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.238 4.979 -2.241 1.00 0.00 H ATOM 119 N GLY A 10 -5.627 2.385 -0.913 1.00 0.00 N ATOM 120 CA GLY A 10 -7.048 2.401 -0.563 1.00 0.00 C ATOM 121 C GLY A 10 -6.966 2.152 0.928 1.00 0.00 C ATOM 122 O GLY A 10 -7.714 1.405 1.527 1.00 0.00 O ATOM 123 H GLY A 10 -5.026 1.851 -0.340 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.479 3.365 -0.791 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.570 1.599 -1.053 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 9 ATOM 1 N MET A 1 -5.699 2.536 1.374 1.00 0.00 N ATOM 2 CA MET A 1 -5.222 2.159 2.710 1.00 0.00 C ATOM 3 C MET A 1 -4.169 1.058 2.562 1.00 0.00 C ATOM 4 O MET A 1 -4.366 -0.079 2.942 1.00 0.00 O ATOM 5 CB MET A 1 -6.430 1.709 3.536 1.00 0.00 C ATOM 6 CG MET A 1 -6.060 1.701 5.021 1.00 0.00 C ATOM 7 SD MET A 1 -7.568 1.596 6.018 1.00 0.00 S ATOM 8 CE MET A 1 -6.982 0.343 7.185 1.00 0.00 C ATOM 9 H1 MET A 1 -5.145 3.152 0.867 1.00 0.00 H ATOM 10 HA MET A 1 -4.759 3.016 3.130 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.252 2.390 3.373 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.722 0.713 3.235 1.00 0.00 H ATOM 13 HG2 MET A 1 -5.430 0.850 5.231 1.00 0.00 H ATOM 14 HG3 MET A 1 -5.530 2.610 5.264 1.00 0.00 H ATOM 15 HE1 MET A 1 -5.960 0.562 7.463 1.00 0.00 H ATOM 16 HE2 MET A 1 -7.035 -0.632 6.721 1.00 0.00 H ATOM 17 HE3 MET A 1 -7.601 0.353 8.067 1.00 0.00 H ATOM 18 N ASP A 2 -3.040 1.417 1.997 1.00 0.00 N ATOM 19 CA ASP A 2 -1.932 0.440 1.792 1.00 0.00 C ATOM 20 C ASP A 2 -2.383 -0.687 0.857 1.00 0.00 C ATOM 21 O ASP A 2 -2.811 -1.737 1.293 1.00 0.00 O ATOM 22 CB ASP A 2 -1.619 -0.107 3.185 1.00 0.00 C ATOM 23 CG ASP A 2 -0.294 0.479 3.677 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.739 -0.078 3.341 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.335 1.473 4.382 1.00 0.00 O ATOM 26 H ASP A 2 -2.922 2.344 1.705 1.00 0.00 H ATOM 27 HA ASP A 2 -1.059 0.944 1.385 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.411 0.169 3.866 1.00 0.00 H ATOM 29 HB3 ASP A 2 -1.541 -1.183 3.140 1.00 0.00 H ATOM 30 N CYS A 3 -2.282 -0.477 -0.427 1.00 0.00 N ATOM 31 CA CYS A 3 -2.695 -1.532 -1.399 1.00 0.00 C ATOM 32 C CYS A 3 -1.510 -1.958 -2.245 1.00 0.00 C ATOM 33 O CYS A 3 -1.625 -2.757 -3.153 1.00 0.00 O ATOM 34 CB CYS A 3 -3.759 -0.873 -2.265 1.00 0.00 C ATOM 35 SG CYS A 3 -5.322 -1.768 -2.097 1.00 0.00 S ATOM 36 H CYS A 3 -1.928 0.377 -0.755 1.00 0.00 H ATOM 37 HA CYS A 3 -3.094 -2.374 -0.890 1.00 0.00 H ATOM 38 HB2 CYS A 3 -3.891 0.151 -1.948 1.00 0.00 H ATOM 39 HB3 CYS A 3 -3.438 -0.892 -3.297 1.00 0.00 H ATOM 40 HG CYS A 3 -5.428 -2.328 -2.870 1.00 0.00 H ATOM 41 N SER A 4 -0.380 -1.417 -1.953 1.00 0.00 N ATOM 42 CA SER A 4 0.835 -1.754 -2.725 1.00 0.00 C ATOM 43 C SER A 4 2.013 -0.937 -2.203 1.00 0.00 C ATOM 44 O SER A 4 2.723 -0.294 -2.952 1.00 0.00 O ATOM 45 CB SER A 4 0.466 -1.355 -4.142 1.00 0.00 C ATOM 46 OG SER A 4 1.637 -1.299 -4.944 1.00 0.00 O ATOM 47 H SER A 4 -0.334 -0.775 -1.230 1.00 0.00 H ATOM 48 HA SER A 4 1.044 -2.807 -2.674 1.00 0.00 H ATOM 49 HB2 SER A 4 -0.217 -2.082 -4.546 1.00 0.00 H ATOM 50 HB3 SER A 4 -0.020 -0.387 -4.114 1.00 0.00 H ATOM 51 HG SER A 4 2.192 -2.047 -4.712 1.00 0.00 H ATOM 52 N GLY A 5 2.213 -0.946 -0.916 1.00 0.00 N ATOM 53 CA GLY A 5 3.328 -0.160 -0.326 1.00 0.00 C ATOM 54 C GLY A 5 2.795 1.211 0.079 1.00 0.00 C ATOM 55 O GLY A 5 2.521 1.461 1.235 1.00 0.00 O ATOM 56 H GLY A 5 1.616 -1.462 -0.333 1.00 0.00 H ATOM 57 HA2 GLY A 5 3.714 -0.675 0.543 1.00 0.00 H ATOM 58 HA3 GLY A 5 4.113 -0.039 -1.055 1.00 0.00 H ATOM 59 N CYS A 6 2.631 2.092 -0.874 1.00 0.00 N ATOM 60 CA CYS A 6 2.098 3.461 -0.576 1.00 0.00 C ATOM 61 C CYS A 6 2.407 4.411 -1.747 1.00 0.00 C ATOM 62 O CYS A 6 3.553 4.690 -2.040 1.00 0.00 O ATOM 63 CB CYS A 6 2.828 3.944 0.684 1.00 0.00 C ATOM 64 SG CYS A 6 4.588 3.526 0.578 1.00 0.00 S ATOM 65 H CYS A 6 2.848 1.846 -1.799 1.00 0.00 H ATOM 66 HA CYS A 6 1.030 3.410 -0.388 1.00 0.00 H ATOM 67 HB2 CYS A 6 2.722 5.016 0.768 1.00 0.00 H ATOM 68 HB3 CYS A 6 2.397 3.477 1.556 1.00 0.00 H ATOM 69 HG CYS A 6 4.864 3.636 -0.335 1.00 0.00 H ATOM 70 N SER A 7 1.402 4.908 -2.416 1.00 0.00 N ATOM 71 CA SER A 7 1.626 5.832 -3.558 1.00 0.00 C ATOM 72 C SER A 7 0.255 6.251 -4.049 1.00 0.00 C ATOM 73 O SER A 7 -0.036 7.411 -4.262 1.00 0.00 O ATOM 74 CB SER A 7 2.350 4.994 -4.605 1.00 0.00 C ATOM 75 OG SER A 7 3.064 5.852 -5.486 1.00 0.00 O ATOM 76 H SER A 7 0.479 4.674 -2.173 1.00 0.00 H ATOM 77 HA SER A 7 2.218 6.685 -3.263 1.00 0.00 H ATOM 78 HB2 SER A 7 3.042 4.329 -4.116 1.00 0.00 H ATOM 79 HB3 SER A 7 1.625 4.412 -5.158 1.00 0.00 H ATOM 80 HG SER A 7 3.818 6.206 -5.008 1.00 0.00 H ATOM 81 N ARG A 8 -0.601 5.284 -4.167 1.00 0.00 N ATOM 82 CA ARG A 8 -1.996 5.540 -4.572 1.00 0.00 C ATOM 83 C ARG A 8 -2.838 4.381 -4.047 1.00 0.00 C ATOM 84 O ARG A 8 -3.373 3.589 -4.794 1.00 0.00 O ATOM 85 CB ARG A 8 -2.012 5.624 -6.108 1.00 0.00 C ATOM 86 CG ARG A 8 -0.985 4.662 -6.720 1.00 0.00 C ATOM 87 CD ARG A 8 -1.575 3.255 -6.772 1.00 0.00 C ATOM 88 NE ARG A 8 -0.993 2.548 -5.597 1.00 0.00 N ATOM 89 CZ ARG A 8 -0.250 1.490 -5.774 1.00 0.00 C ATOM 90 NH1 ARG A 8 -0.625 0.562 -6.611 1.00 0.00 N ATOM 91 NH2 ARG A 8 0.869 1.361 -5.115 1.00 0.00 N ATOM 92 H ARG A 8 -0.327 4.371 -3.944 1.00 0.00 H ATOM 93 HA ARG A 8 -2.321 6.458 -4.137 1.00 0.00 H ATOM 94 HB2 ARG A 8 -2.997 5.365 -6.467 1.00 0.00 H ATOM 95 HB3 ARG A 8 -1.777 6.633 -6.410 1.00 0.00 H ATOM 96 HG2 ARG A 8 -0.746 4.987 -7.722 1.00 0.00 H ATOM 97 HG3 ARG A 8 -0.086 4.653 -6.125 1.00 0.00 H ATOM 98 HD2 ARG A 8 -2.651 3.298 -6.696 1.00 0.00 H ATOM 99 HD3 ARG A 8 -1.281 2.760 -7.682 1.00 0.00 H ATOM 100 HE ARG A 8 -1.169 2.876 -4.691 1.00 0.00 H ATOM 101 HH11 ARG A 8 -1.483 0.661 -7.116 1.00 0.00 H ATOM 102 HH12 ARG A 8 -0.055 -0.249 -6.747 1.00 0.00 H ATOM 103 HH21 ARG A 8 1.157 2.072 -4.474 1.00 0.00 H ATOM 104 HH22 ARG A 8 1.439 0.551 -5.252 1.00 0.00 H ATOM 105 N PRO A 9 -2.860 4.303 -2.745 1.00 0.00 N ATOM 106 CA PRO A 9 -3.559 3.214 -2.041 1.00 0.00 C ATOM 107 C PRO A 9 -5.039 3.432 -1.865 1.00 0.00 C ATOM 108 O PRO A 9 -5.665 4.338 -2.379 1.00 0.00 O ATOM 109 CB PRO A 9 -2.895 3.191 -0.666 1.00 0.00 C ATOM 110 CG PRO A 9 -2.349 4.560 -0.464 1.00 0.00 C ATOM 111 CD PRO A 9 -2.236 5.236 -1.807 1.00 0.00 C ATOM 112 HA PRO A 9 -3.393 2.284 -2.514 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.625 2.972 0.102 1.00 0.00 H ATOM 114 HB3 PRO A 9 -2.100 2.468 -0.631 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.018 5.118 0.170 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.376 4.492 -0.012 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.768 6.177 -1.798 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.202 5.389 -2.067 1.00 0.00 H ATOM 119 N GLY A 10 -5.541 2.585 -1.049 1.00 0.00 N ATOM 120 CA GLY A 10 -6.938 2.575 -0.616 1.00 0.00 C ATOM 121 C GLY A 10 -6.780 2.065 0.801 1.00 0.00 C ATOM 122 O GLY A 10 -7.523 1.247 1.307 1.00 0.00 O ATOM 123 H GLY A 10 -4.934 1.931 -0.630 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.346 3.575 -0.645 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.515 1.886 -1.206 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 10 ATOM 1 N MET A 1 -5.727 2.205 1.337 1.00 0.00 N ATOM 2 CA MET A 1 -5.320 2.006 2.732 1.00 0.00 C ATOM 3 C MET A 1 -4.092 1.094 2.760 1.00 0.00 C ATOM 4 O MET A 1 -4.192 -0.116 2.800 1.00 0.00 O ATOM 5 CB MET A 1 -6.507 1.416 3.497 1.00 0.00 C ATOM 6 CG MET A 1 -6.230 1.485 4.999 1.00 0.00 C ATOM 7 SD MET A 1 -7.091 2.910 5.709 1.00 0.00 S ATOM 8 CE MET A 1 -6.177 2.970 7.270 1.00 0.00 C ATOM 9 H1 MET A 1 -5.238 2.873 0.828 1.00 0.00 H ATOM 10 HA MET A 1 -5.043 2.957 3.116 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.400 1.980 3.267 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.646 0.385 3.206 1.00 0.00 H ATOM 13 HG2 MET A 1 -6.583 0.580 5.472 1.00 0.00 H ATOM 14 HG3 MET A 1 -5.167 1.587 5.165 1.00 0.00 H ATOM 15 HE1 MET A 1 -6.291 2.029 7.789 1.00 0.00 H ATOM 16 HE2 MET A 1 -6.562 3.775 7.881 1.00 0.00 H ATOM 17 HE3 MET A 1 -5.132 3.144 7.070 1.00 0.00 H ATOM 18 N ASP A 2 -2.928 1.697 2.713 1.00 0.00 N ATOM 19 CA ASP A 2 -1.649 0.927 2.712 1.00 0.00 C ATOM 20 C ASP A 2 -1.762 -0.309 1.819 1.00 0.00 C ATOM 21 O ASP A 2 -1.737 -1.433 2.280 1.00 0.00 O ATOM 22 CB ASP A 2 -1.404 0.534 4.173 1.00 0.00 C ATOM 23 CG ASP A 2 -2.447 -0.491 4.623 1.00 0.00 C ATOM 24 OD1 ASP A 2 -3.520 -0.076 5.030 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.154 -1.674 4.558 1.00 0.00 O ATOM 26 H ASP A 2 -2.898 2.675 2.664 1.00 0.00 H ATOM 27 HA ASP A 2 -0.839 1.559 2.361 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.417 0.105 4.268 1.00 0.00 H ATOM 29 HB3 ASP A 2 -1.475 1.412 4.798 1.00 0.00 H ATOM 30 N CYS A 3 -1.866 -0.101 0.537 1.00 0.00 N ATOM 31 CA CYS A 3 -1.958 -1.248 -0.409 1.00 0.00 C ATOM 32 C CYS A 3 -0.579 -1.555 -0.974 1.00 0.00 C ATOM 33 O CYS A 3 0.411 -0.969 -0.584 1.00 0.00 O ATOM 34 CB CYS A 3 -2.902 -0.778 -1.516 1.00 0.00 C ATOM 35 SG CYS A 3 -4.532 -1.528 -1.279 1.00 0.00 S ATOM 36 H CYS A 3 -1.869 0.815 0.191 1.00 0.00 H ATOM 37 HA CYS A 3 -2.362 -2.122 0.076 1.00 0.00 H ATOM 38 HB2 CYS A 3 -2.991 0.297 -1.481 1.00 0.00 H ATOM 39 HB3 CYS A 3 -2.506 -1.075 -2.476 1.00 0.00 H ATOM 40 HG CYS A 3 -5.195 -0.849 -1.417 1.00 0.00 H ATOM 41 N SER A 4 -0.508 -2.473 -1.884 1.00 0.00 N ATOM 42 CA SER A 4 0.801 -2.832 -2.482 1.00 0.00 C ATOM 43 C SER A 4 1.345 -1.661 -3.308 1.00 0.00 C ATOM 44 O SER A 4 1.572 -1.777 -4.496 1.00 0.00 O ATOM 45 CB SER A 4 0.479 -4.028 -3.366 1.00 0.00 C ATOM 46 OG SER A 4 1.602 -4.335 -4.181 1.00 0.00 O ATOM 47 H SER A 4 -1.321 -2.934 -2.178 1.00 0.00 H ATOM 48 HA SER A 4 1.505 -3.116 -1.716 1.00 0.00 H ATOM 49 HB2 SER A 4 0.245 -4.877 -2.743 1.00 0.00 H ATOM 50 HB3 SER A 4 -0.378 -3.790 -3.982 1.00 0.00 H ATOM 51 HG SER A 4 1.557 -3.787 -4.968 1.00 0.00 H ATOM 52 N GLY A 5 1.554 -0.531 -2.683 1.00 0.00 N ATOM 53 CA GLY A 5 2.081 0.651 -3.423 1.00 0.00 C ATOM 54 C GLY A 5 1.714 1.932 -2.669 1.00 0.00 C ATOM 55 O GLY A 5 0.947 2.745 -3.146 1.00 0.00 O ATOM 56 H GLY A 5 1.363 -0.462 -1.724 1.00 0.00 H ATOM 57 HA2 GLY A 5 3.156 0.573 -3.504 1.00 0.00 H ATOM 58 HA3 GLY A 5 1.645 0.681 -4.410 1.00 0.00 H ATOM 59 N CYS A 6 2.256 2.120 -1.495 1.00 0.00 N ATOM 60 CA CYS A 6 1.939 3.349 -0.711 1.00 0.00 C ATOM 61 C CYS A 6 2.171 4.595 -1.566 1.00 0.00 C ATOM 62 O CYS A 6 3.240 5.173 -1.580 1.00 0.00 O ATOM 63 CB CYS A 6 2.897 3.339 0.468 1.00 0.00 C ATOM 64 SG CYS A 6 4.576 2.983 -0.110 1.00 0.00 S ATOM 65 H CYS A 6 2.867 1.456 -1.130 1.00 0.00 H ATOM 66 HA CYS A 6 0.916 3.311 -0.350 1.00 0.00 H ATOM 67 HB2 CYS A 6 2.877 4.308 0.944 1.00 0.00 H ATOM 68 HB3 CYS A 6 2.587 2.583 1.170 1.00 0.00 H ATOM 69 HG CYS A 6 4.865 2.165 0.302 1.00 0.00 H ATOM 70 N SER A 7 1.170 5.000 -2.273 1.00 0.00 N ATOM 71 CA SER A 7 1.261 6.196 -3.147 1.00 0.00 C ATOM 72 C SER A 7 -0.142 6.428 -3.661 1.00 0.00 C ATOM 73 O SER A 7 -0.691 7.510 -3.594 1.00 0.00 O ATOM 74 CB SER A 7 2.207 5.801 -4.278 1.00 0.00 C ATOM 75 OG SER A 7 2.813 6.970 -4.815 1.00 0.00 O ATOM 76 H SER A 7 0.325 4.506 -2.233 1.00 0.00 H ATOM 77 HA SER A 7 1.632 7.053 -2.606 1.00 0.00 H ATOM 78 HB2 SER A 7 2.971 5.147 -3.895 1.00 0.00 H ATOM 79 HB3 SER A 7 1.647 5.286 -5.047 1.00 0.00 H ATOM 80 HG SER A 7 3.086 6.775 -5.715 1.00 0.00 H ATOM 81 N ARG A 8 -0.743 5.368 -4.106 1.00 0.00 N ATOM 82 CA ARG A 8 -2.144 5.427 -4.559 1.00 0.00 C ATOM 83 C ARG A 8 -2.842 4.194 -3.994 1.00 0.00 C ATOM 84 O ARG A 8 -3.278 3.320 -4.716 1.00 0.00 O ATOM 85 CB ARG A 8 -2.142 5.429 -6.099 1.00 0.00 C ATOM 86 CG ARG A 8 -0.808 4.903 -6.647 1.00 0.00 C ATOM 87 CD ARG A 8 -0.686 3.407 -6.352 1.00 0.00 C ATOM 88 NE ARG A 8 0.732 3.209 -5.938 1.00 0.00 N ATOM 89 CZ ARG A 8 1.572 2.616 -6.743 1.00 0.00 C ATOM 90 NH1 ARG A 8 1.170 1.621 -7.486 1.00 0.00 N ATOM 91 NH2 ARG A 8 2.814 3.016 -6.805 1.00 0.00 N ATOM 92 H ARG A 8 -0.277 4.506 -4.090 1.00 0.00 H ATOM 93 HA ARG A 8 -2.594 6.314 -4.170 1.00 0.00 H ATOM 94 HB2 ARG A 8 -2.944 4.800 -6.456 1.00 0.00 H ATOM 95 HB3 ARG A 8 -2.298 6.438 -6.452 1.00 0.00 H ATOM 96 HG2 ARG A 8 -0.770 5.063 -7.715 1.00 0.00 H ATOM 97 HG3 ARG A 8 0.009 5.429 -6.174 1.00 0.00 H ATOM 98 HD2 ARG A 8 -1.356 3.126 -5.551 1.00 0.00 H ATOM 99 HD3 ARG A 8 -0.896 2.829 -7.239 1.00 0.00 H ATOM 100 HE ARG A 8 1.034 3.522 -5.060 1.00 0.00 H ATOM 101 HH11 ARG A 8 0.220 1.313 -7.440 1.00 0.00 H ATOM 102 HH12 ARG A 8 1.814 1.165 -8.102 1.00 0.00 H ATOM 103 HH21 ARG A 8 3.123 3.778 -6.236 1.00 0.00 H ATOM 104 HH22 ARG A 8 3.455 2.560 -7.422 1.00 0.00 H ATOM 105 N PRO A 9 -2.855 4.160 -2.690 1.00 0.00 N ATOM 106 CA PRO A 9 -3.422 3.020 -1.942 1.00 0.00 C ATOM 107 C PRO A 9 -4.929 2.986 -1.901 1.00 0.00 C ATOM 108 O PRO A 9 -5.645 3.732 -2.538 1.00 0.00 O ATOM 109 CB PRO A 9 -2.896 3.218 -0.520 1.00 0.00 C ATOM 110 CG PRO A 9 -2.619 4.672 -0.410 1.00 0.00 C ATOM 111 CD PRO A 9 -2.340 5.198 -1.793 1.00 0.00 C ATOM 112 HA PRO A 9 -3.058 2.100 -2.313 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.648 2.931 0.206 1.00 0.00 H ATOM 114 HB3 PRO A 9 -1.996 2.655 -0.357 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.480 5.168 0.004 1.00 0.00 H ATOM 116 HG3 PRO A 9 -1.758 4.826 0.215 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.862 6.131 -1.951 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.281 5.326 -1.942 1.00 0.00 H ATOM 119 N GLY A 10 -5.354 2.122 -1.061 1.00 0.00 N ATOM 120 CA GLY A 10 -6.765 1.900 -0.742 1.00 0.00 C ATOM 121 C GLY A 10 -6.659 1.519 0.719 1.00 0.00 C ATOM 122 O GLY A 10 -7.300 0.623 1.228 1.00 0.00 O ATOM 123 H GLY A 10 -4.689 1.613 -0.543 1.00 0.00 H ATOM 124 HA2 GLY A 10 -7.329 2.810 -0.885 1.00 0.00 H ATOM 125 HA3 GLY A 10 -7.162 1.084 -1.319 1.00 0.00 H TER 126 GLY A 10 ENDMDL MODEL 11 ATOM 1 N MET A 1 -5.632 1.807 0.936 1.00 0.00 N ATOM 2 CA MET A 1 -5.417 1.698 2.383 1.00 0.00 C ATOM 3 C MET A 1 -4.127 0.915 2.646 1.00 0.00 C ATOM 4 O MET A 1 -4.134 -0.176 3.182 1.00 0.00 O ATOM 5 CB MET A 1 -6.648 1.020 2.991 1.00 0.00 C ATOM 6 CG MET A 1 -6.919 1.602 4.380 1.00 0.00 C ATOM 7 SD MET A 1 -6.940 0.266 5.601 1.00 0.00 S ATOM 8 CE MET A 1 -5.161 0.232 5.932 1.00 0.00 C ATOM 9 H1 MET A 1 -5.167 2.524 0.473 1.00 0.00 H ATOM 10 HA MET A 1 -5.295 2.686 2.756 1.00 0.00 H ATOM 11 HB2 MET A 1 -7.505 1.192 2.356 1.00 0.00 H ATOM 12 HB3 MET A 1 -6.470 -0.041 3.077 1.00 0.00 H ATOM 13 HG2 MET A 1 -6.140 2.307 4.633 1.00 0.00 H ATOM 14 HG3 MET A 1 -7.874 2.105 4.381 1.00 0.00 H ATOM 15 HE1 MET A 1 -4.684 -0.464 5.257 1.00 0.00 H ATOM 16 HE2 MET A 1 -4.993 -0.075 6.955 1.00 0.00 H ATOM 17 HE3 MET A 1 -4.747 1.217 5.782 1.00 0.00 H ATOM 18 N ASP A 2 -3.012 1.494 2.266 1.00 0.00 N ATOM 19 CA ASP A 2 -1.688 0.836 2.476 1.00 0.00 C ATOM 20 C ASP A 2 -1.788 -0.672 2.243 1.00 0.00 C ATOM 21 O ASP A 2 -1.473 -1.463 3.110 1.00 0.00 O ATOM 22 CB ASP A 2 -1.332 1.128 3.933 1.00 0.00 C ATOM 23 CG ASP A 2 -0.708 2.521 4.036 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.305 3.456 3.527 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.357 2.630 4.623 1.00 0.00 O ATOM 26 H ASP A 2 -3.050 2.377 1.843 1.00 0.00 H ATOM 27 HA ASP A 2 -0.942 1.274 1.822 1.00 0.00 H ATOM 28 HB2 ASP A 2 -2.226 1.088 4.538 1.00 0.00 H ATOM 29 HB3 ASP A 2 -0.625 0.392 4.286 1.00 0.00 H ATOM 30 N CYS A 3 -2.220 -1.083 1.082 1.00 0.00 N ATOM 31 CA CYS A 3 -2.329 -2.546 0.814 1.00 0.00 C ATOM 32 C CYS A 3 -1.685 -2.909 -0.512 1.00 0.00 C ATOM 33 O CYS A 3 -1.588 -4.064 -0.872 1.00 0.00 O ATOM 34 CB CYS A 3 -3.827 -2.840 0.789 1.00 0.00 C ATOM 35 SG CYS A 3 -4.283 -3.786 2.265 1.00 0.00 S ATOM 36 H CYS A 3 -2.471 -0.434 0.392 1.00 0.00 H ATOM 37 HA CYS A 3 -1.859 -3.095 1.591 1.00 0.00 H ATOM 38 HB2 CYS A 3 -4.375 -1.909 0.773 1.00 0.00 H ATOM 39 HB3 CYS A 3 -4.065 -3.414 -0.094 1.00 0.00 H ATOM 40 HG CYS A 3 -5.207 -4.031 2.185 1.00 0.00 H ATOM 41 N SER A 4 -1.246 -1.934 -1.236 1.00 0.00 N ATOM 42 CA SER A 4 -0.604 -2.207 -2.547 1.00 0.00 C ATOM 43 C SER A 4 -0.353 -0.906 -3.315 1.00 0.00 C ATOM 44 O SER A 4 -0.856 -0.716 -4.404 1.00 0.00 O ATOM 45 CB SER A 4 -1.626 -3.061 -3.279 1.00 0.00 C ATOM 46 OG SER A 4 -1.384 -3.002 -4.678 1.00 0.00 O ATOM 47 H SER A 4 -1.342 -1.030 -0.919 1.00 0.00 H ATOM 48 HA SER A 4 0.310 -2.759 -2.412 1.00 0.00 H ATOM 49 HB2 SER A 4 -1.544 -4.078 -2.942 1.00 0.00 H ATOM 50 HB3 SER A 4 -2.617 -2.685 -3.052 1.00 0.00 H ATOM 51 HG SER A 4 -1.901 -3.692 -5.098 1.00 0.00 H ATOM 52 N GLY A 5 0.419 -0.007 -2.767 1.00 0.00 N ATOM 53 CA GLY A 5 0.685 1.269 -3.491 1.00 0.00 C ATOM 54 C GLY A 5 1.574 2.183 -2.647 1.00 0.00 C ATOM 55 O GLY A 5 2.600 2.653 -3.099 1.00 0.00 O ATOM 56 H GLY A 5 0.820 -0.170 -1.888 1.00 0.00 H ATOM 57 HA2 GLY A 5 1.179 1.050 -4.427 1.00 0.00 H ATOM 58 HA3 GLY A 5 -0.252 1.768 -3.689 1.00 0.00 H ATOM 59 N CYS A 6 1.187 2.453 -1.431 1.00 0.00 N ATOM 60 CA CYS A 6 2.012 3.352 -0.572 1.00 0.00 C ATOM 61 C CYS A 6 2.212 4.699 -1.284 1.00 0.00 C ATOM 62 O CYS A 6 3.170 5.409 -1.050 1.00 0.00 O ATOM 63 CB CYS A 6 3.347 2.629 -0.406 1.00 0.00 C ATOM 64 SG CYS A 6 3.703 2.415 1.356 1.00 0.00 S ATOM 65 H CYS A 6 0.353 2.073 -1.086 1.00 0.00 H ATOM 66 HA CYS A 6 1.537 3.489 0.391 1.00 0.00 H ATOM 67 HB2 CYS A 6 3.293 1.662 -0.883 1.00 0.00 H ATOM 68 HB3 CYS A 6 4.132 3.212 -0.863 1.00 0.00 H ATOM 69 HG CYS A 6 3.985 3.262 1.707 1.00 0.00 H ATOM 70 N SER A 7 1.300 5.041 -2.150 1.00 0.00 N ATOM 71 CA SER A 7 1.365 6.316 -2.906 1.00 0.00 C ATOM 72 C SER A 7 -0.013 6.466 -3.508 1.00 0.00 C ATOM 73 O SER A 7 -0.685 7.467 -3.364 1.00 0.00 O ATOM 74 CB SER A 7 2.427 6.105 -3.985 1.00 0.00 C ATOM 75 OG SER A 7 3.084 7.338 -4.246 1.00 0.00 O ATOM 76 H SER A 7 0.532 4.446 -2.310 1.00 0.00 H ATOM 77 HA SER A 7 1.611 7.146 -2.263 1.00 0.00 H ATOM 78 HB2 SER A 7 3.150 5.383 -3.643 1.00 0.00 H ATOM 79 HB3 SER A 7 1.954 5.738 -4.887 1.00 0.00 H ATOM 80 HG SER A 7 3.492 7.637 -3.430 1.00 0.00 H ATOM 81 N ARG A 8 -0.460 5.402 -4.108 1.00 0.00 N ATOM 82 CA ARG A 8 -1.825 5.358 -4.653 1.00 0.00 C ATOM 83 C ARG A 8 -2.461 4.081 -4.107 1.00 0.00 C ATOM 84 O ARG A 8 -2.798 3.173 -4.842 1.00 0.00 O ATOM 85 CB ARG A 8 -1.681 5.323 -6.175 1.00 0.00 C ATOM 86 CG ARG A 8 -0.687 4.228 -6.569 1.00 0.00 C ATOM 87 CD ARG A 8 0.644 4.867 -6.969 1.00 0.00 C ATOM 88 NE ARG A 8 1.686 3.926 -6.472 1.00 0.00 N ATOM 89 CZ ARG A 8 2.510 3.363 -7.313 1.00 0.00 C ATOM 90 NH1 ARG A 8 2.962 4.038 -8.335 1.00 0.00 N ATOM 91 NH2 ARG A 8 2.882 2.125 -7.133 1.00 0.00 N ATOM 92 H ARG A 8 0.096 4.597 -4.145 1.00 0.00 H ATOM 93 HA ARG A 8 -2.364 6.218 -4.326 1.00 0.00 H ATOM 94 HB2 ARG A 8 -2.643 5.116 -6.622 1.00 0.00 H ATOM 95 HB3 ARG A 8 -1.319 6.278 -6.525 1.00 0.00 H ATOM 96 HG2 ARG A 8 -0.532 3.565 -5.730 1.00 0.00 H ATOM 97 HG3 ARG A 8 -1.081 3.668 -7.404 1.00 0.00 H ATOM 98 HD2 ARG A 8 0.705 4.968 -8.044 1.00 0.00 H ATOM 99 HD3 ARG A 8 0.759 5.829 -6.493 1.00 0.00 H ATOM 100 HE ARG A 8 1.753 3.729 -5.515 1.00 0.00 H ATOM 101 HH11 ARG A 8 2.677 4.986 -8.473 1.00 0.00 H ATOM 102 HH12 ARG A 8 3.594 3.607 -8.979 1.00 0.00 H ATOM 103 HH21 ARG A 8 2.535 1.608 -6.350 1.00 0.00 H ATOM 104 HH22 ARG A 8 3.514 1.694 -7.777 1.00 0.00 H ATOM 105 N PRO A 9 -2.527 4.052 -2.803 1.00 0.00 N ATOM 106 CA PRO A 9 -3.040 2.875 -2.063 1.00 0.00 C ATOM 107 C PRO A 9 -4.517 2.624 -2.219 1.00 0.00 C ATOM 108 O PRO A 9 -5.237 3.230 -2.986 1.00 0.00 O ATOM 109 CB PRO A 9 -2.744 3.205 -0.598 1.00 0.00 C ATOM 110 CG PRO A 9 -2.669 4.683 -0.558 1.00 0.00 C ATOM 111 CD PRO A 9 -2.135 5.131 -1.889 1.00 0.00 C ATOM 112 HA PRO A 9 -2.507 2.000 -2.326 1.00 0.00 H ATOM 113 HB2 PRO A 9 -3.548 2.856 0.039 1.00 0.00 H ATOM 114 HB3 PRO A 9 -1.811 2.775 -0.283 1.00 0.00 H ATOM 115 HG2 PRO A 9 -3.656 5.089 -0.400 1.00 0.00 H ATOM 116 HG3 PRO A 9 -2.002 4.992 0.223 1.00 0.00 H ATOM 117 HD2 PRO A 9 -2.588 6.067 -2.183 1.00 0.00 H ATOM 118 HD3 PRO A 9 -1.063 5.219 -1.854 1.00 0.00 H ATOM 119 N GLY A 10 -4.926 1.735 -1.394 1.00 0.00 N ATOM 120 CA GLY A 10 -6.320 1.314 -1.253 1.00 0.00 C ATOM 121 C GLY A 10 -6.369 0.988 0.224 1.00 0.00 C ATOM 122 O GLY A 10 -6.960 0.031 0.682 1.00 0.00 O ATOM 123 H GLY A 10 -4.271 1.348 -0.767 1.00 0.00 H ATOM 124 HA2 GLY A 10 -6.984 2.125 -1.512 1.00 0.00 H ATOM 125 HA3 GLY A 10 -6.512 0.435 -1.842 1.00 0.00 H TER 126 GLY A 10 ENDMDL CONECT 1 121 CONECT 121 1 MASTER 171 0 0 0 0 0 0 6 66 1 2 1 END