HEADER CHAPERONE 03-AUG-12 SMS21028 TITLE MDCSGCSRPG-ZN-WATER COMPLEX FROM ACIDIC CONDITIONS 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 KEYWDS METALLOCHAPERONES, ZINC(II), PEPTIDE MODEL, CHAPERONE EXPDTA SOLUTION NMR NUMMDL 10 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 SMS21028. 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, 4.0 MM ZNCL2, REMARK 210 90 % [U-2H] DMSO, 10 % H2O, 10% REMARK 210 TDW/D6-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 : 10 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: WATER SUPPRESSION WITH GRADIENTS. 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 H1 MET A 1 O SER A 7 1.59 REMARK 500 N MET A 1 O GLY A 10 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 CYS A 3 -157.67 -92.16 REMARK 500 1 CYS A 6 -21.55 161.89 REMARK 500 1 ARG A 8 -152.58 33.73 REMARK 500 2 CYS A 3 -148.46 -121.55 REMARK 500 2 CYS A 6 -3.44 148.84 REMARK 500 2 ARG A 8 -149.97 29.56 REMARK 500 3 CYS A 3 -141.08 -130.81 REMARK 500 3 SER A 4 -32.02 -132.60 REMARK 500 3 CYS A 6 26.68 158.06 REMARK 500 3 ARG A 8 -156.65 32.34 REMARK 500 4 CYS A 3 -159.34 -122.05 REMARK 500 4 CYS A 6 -17.27 155.87 REMARK 500 4 ARG A 8 -158.80 35.19 REMARK 500 5 CYS A 3 -132.05 -109.20 REMARK 500 5 SER A 4 -39.85 -147.44 REMARK 500 5 CYS A 6 26.86 -163.06 REMARK 500 5 ARG A 8 -149.75 28.63 REMARK 500 6 CYS A 3 -160.61 -116.19 REMARK 500 6 CYS A 6 -14.91 154.43 REMARK 500 6 ARG A 8 -157.97 34.34 REMARK 500 7 CYS A 3 -147.60 -114.08 REMARK 500 7 SER A 4 -35.43 -131.73 REMARK 500 7 CYS A 6 13.59 141.34 REMARK 500 7 ARG A 8 -155.48 27.41 REMARK 500 8 CYS A 3 -149.46 -98.54 REMARK 500 8 SER A 4 -32.00 -130.22 REMARK 500 8 CYS A 6 17.31 143.12 REMARK 500 8 ARG A 8 -156.25 30.59 REMARK 500 9 CYS A 3 -145.05 -115.12 REMARK 500 9 CYS A 6 35.53 167.52 REMARK 500 9 ARG A 8 -156.81 30.10 REMARK 500 10 CYS A 3 -147.30 -61.76 REMARK 500 10 SER A 4 -57.76 -120.32 REMARK 500 10 CYS A 6 12.39 -152.33 REMARK 500 10 ARG A 8 -154.16 33.22 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 0.08 SIDE CHAIN REMARK 500 2 ARG A 8 0.13 SIDE CHAIN REMARK 500 3 ARG A 8 0.22 SIDE CHAIN REMARK 500 4 ARG A 8 0.28 SIDE CHAIN REMARK 500 5 ARG A 8 0.28 SIDE CHAIN REMARK 500 6 ARG A 8 0.22 SIDE CHAIN REMARK 500 9 ARG A 8 0.21 SIDE CHAIN REMARK 500 10 ARG A 8 0.18 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 1 ZN A 101 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 201 O REMARK 620 2 CYS A 3 SG 107.8 REMARK 620 3 CYS A 6 SG 107.9 114.8 REMARK 620 4 MET A 1 SD 108.0 109.4 108.8 REMARK 620 N 1 2 3 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21028 RELATED DB: BMRB 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 DBREF A 1 10 BMRB SMS21028 SMS21028 1 10 SEQRES 1 A 10 MET ASP CYS SER GLY CYS SER ARG PRO GLY HET ZN A 101 1 HETNAM ZN ZINC ION FORMUL 2 ZN ZN 2+ FORMUL 3 HOH *(H2 O) LINK N MET A 1 C GLY A 10 1555 1555 1.30 LINK ZN ZN A 101 O HOH A 201 1555 1555 2.10 LINK SG CYS A 3 ZN ZN A 101 1555 1555 2.27 LINK SG CYS A 6 ZN ZN A 101 1555 1555 2.27 LINK SD MET A 1 ZN ZN A 101 1555 1555 2.70 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 -2.579 2.515 -0.658 1.00 0.00 N ATOM 2 CA MET A 1 -1.921 2.560 0.697 1.00 0.00 C ATOM 3 C MET A 1 -0.662 3.451 0.694 1.00 0.00 C ATOM 4 O MET A 1 -0.305 4.020 1.706 1.00 0.00 O ATOM 5 CB MET A 1 -1.580 1.110 1.055 1.00 0.00 C ATOM 6 CG MET A 1 -2.664 0.524 1.962 1.00 0.00 C ATOM 7 SD MET A 1 -2.264 0.811 3.710 1.00 0.00 S ATOM 8 CE MET A 1 -2.252 2.619 3.678 1.00 0.00 C ATOM 9 H1 MET A 1 -2.096 2.191 -1.465 1.00 0.00 H ATOM 10 HA MET A 1 -2.626 2.944 1.415 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.530 0.529 0.156 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.624 1.075 1.562 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.610 0.988 1.731 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.738 -0.540 1.781 1.00 0.00 H ATOM 15 HE1 MET A 1 -3.156 2.976 3.204 1.00 0.00 H ATOM 16 HE2 MET A 1 -1.390 2.962 3.126 1.00 0.00 H ATOM 17 HE3 MET A 1 -2.206 2.998 4.687 1.00 0.00 H ATOM 18 N ASP A 2 0.012 3.588 -0.420 1.00 0.00 N ATOM 19 CA ASP A 2 1.241 4.457 -0.463 1.00 0.00 C ATOM 20 C ASP A 2 2.402 3.780 0.275 1.00 0.00 C ATOM 21 O ASP A 2 3.399 4.396 0.599 1.00 0.00 O ATOM 22 CB ASP A 2 0.844 5.760 0.236 1.00 0.00 C ATOM 23 CG ASP A 2 1.380 6.951 -0.560 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.804 7.257 -1.592 1.00 0.00 O ATOM 25 OD2 ASP A 2 2.357 7.537 -0.126 1.00 0.00 O ATOM 26 H ASP A 2 -0.286 3.125 -1.230 1.00 0.00 H ATOM 27 HA ASP A 2 1.517 4.660 -1.485 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.235 5.822 0.296 1.00 0.00 H ATOM 29 HB3 ASP A 2 1.264 5.777 1.232 1.00 0.00 H ATOM 30 N CYS A 3 2.266 2.517 0.533 1.00 0.00 N ATOM 31 CA CYS A 3 3.331 1.745 1.244 1.00 0.00 C ATOM 32 C CYS A 3 4.291 1.100 0.233 1.00 0.00 C ATOM 33 O CYS A 3 4.388 1.508 -0.907 1.00 0.00 O ATOM 34 CB CYS A 3 2.562 0.643 1.990 1.00 0.00 C ATOM 35 SG CYS A 3 1.763 1.308 3.465 1.00 0.00 S ATOM 36 H CYS A 3 1.453 2.067 0.255 1.00 0.00 H ATOM 37 HA CYS A 3 3.863 2.367 1.942 1.00 0.00 H ATOM 38 HB2 CYS A 3 1.809 0.234 1.340 1.00 0.00 H ATOM 39 HB3 CYS A 3 3.246 -0.135 2.279 1.00 0.00 H ATOM 40 N SER A 4 4.972 0.065 0.648 1.00 0.00 N ATOM 41 CA SER A 4 5.892 -0.674 -0.262 1.00 0.00 C ATOM 42 C SER A 4 5.560 -2.158 -0.097 1.00 0.00 C ATOM 43 O SER A 4 6.065 -2.823 0.786 1.00 0.00 O ATOM 44 CB SER A 4 7.304 -0.362 0.233 1.00 0.00 C ATOM 45 OG SER A 4 7.929 0.539 -0.671 1.00 0.00 O ATOM 46 H SER A 4 4.854 -0.252 1.565 1.00 0.00 H ATOM 47 HA SER A 4 5.758 -0.354 -1.284 1.00 0.00 H ATOM 48 HB2 SER A 4 7.255 0.093 1.209 1.00 0.00 H ATOM 49 HB3 SER A 4 7.875 -1.280 0.296 1.00 0.00 H ATOM 50 HG SER A 4 8.041 0.087 -1.511 1.00 0.00 H ATOM 51 N GLY A 5 4.644 -2.655 -0.879 1.00 0.00 N ATOM 52 CA GLY A 5 4.198 -4.065 -0.696 1.00 0.00 C ATOM 53 C GLY A 5 3.128 -3.981 0.381 1.00 0.00 C ATOM 54 O GLY A 5 3.237 -4.543 1.450 1.00 0.00 O ATOM 55 H GLY A 5 4.197 -2.079 -1.535 1.00 0.00 H ATOM 56 HA2 GLY A 5 3.779 -4.447 -1.617 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.012 -4.680 -0.358 1.00 0.00 H ATOM 58 N CYS A 6 2.136 -3.196 0.078 1.00 0.00 N ATOM 59 CA CYS A 6 1.017 -2.883 1.009 1.00 0.00 C ATOM 60 C CYS A 6 0.356 -1.637 0.476 1.00 0.00 C ATOM 61 O CYS A 6 -0.766 -1.311 0.793 1.00 0.00 O ATOM 62 CB CYS A 6 1.660 -2.498 2.317 1.00 0.00 C ATOM 63 SG CYS A 6 0.383 -2.253 3.576 1.00 0.00 S ATOM 64 H CYS A 6 2.146 -2.758 -0.793 1.00 0.00 H ATOM 65 HA CYS A 6 0.328 -3.703 1.123 1.00 0.00 H ATOM 66 HB2 CYS A 6 2.327 -3.270 2.621 1.00 0.00 H ATOM 67 HB3 CYS A 6 2.197 -1.586 2.164 1.00 0.00 H ATOM 68 N SER A 7 1.093 -0.903 -0.312 1.00 0.00 N ATOM 69 CA SER A 7 0.555 0.329 -0.871 1.00 0.00 C ATOM 70 C SER A 7 -0.633 0.001 -1.722 1.00 0.00 C ATOM 71 O SER A 7 -1.422 0.869 -2.033 1.00 0.00 O ATOM 72 CB SER A 7 1.671 0.888 -1.732 1.00 0.00 C ATOM 73 OG SER A 7 1.574 2.302 -1.781 1.00 0.00 O ATOM 74 H SER A 7 2.014 -1.157 -0.516 1.00 0.00 H ATOM 75 HA SER A 7 0.299 1.010 -0.100 1.00 0.00 H ATOM 76 HB2 SER A 7 2.614 0.609 -1.307 1.00 0.00 H ATOM 77 HB3 SER A 7 1.588 0.476 -2.725 1.00 0.00 H ATOM 78 HG SER A 7 2.462 2.658 -1.862 1.00 0.00 H ATOM 79 N ARG A 8 -0.776 -1.256 -2.075 1.00 0.00 N ATOM 80 CA ARG A 8 -1.931 -1.660 -2.920 1.00 0.00 C ATOM 81 C ARG A 8 -2.240 -0.504 -3.867 1.00 0.00 C ATOM 82 O ARG A 8 -1.366 0.285 -4.167 1.00 0.00 O ATOM 83 CB ARG A 8 -3.048 -1.909 -1.900 1.00 0.00 C ATOM 84 CG ARG A 8 -2.525 -2.862 -0.855 1.00 0.00 C ATOM 85 CD ARG A 8 -1.985 -4.083 -1.568 1.00 0.00 C ATOM 86 NE ARG A 8 -1.932 -5.136 -0.524 1.00 0.00 N ATOM 87 CZ ARG A 8 -1.056 -6.100 -0.608 1.00 0.00 C ATOM 88 NH1 ARG A 8 -0.437 -6.322 -1.735 1.00 0.00 N ATOM 89 NH2 ARG A 8 -0.796 -6.837 0.436 1.00 0.00 N ATOM 90 H ARG A 8 -0.129 -1.928 -1.761 1.00 0.00 H ATOM 91 HA ARG A 8 -1.708 -2.562 -3.469 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.344 -0.979 -1.440 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.894 -2.366 -2.376 1.00 0.00 H ATOM 94 HG2 ARG A 8 -1.737 -2.393 -0.309 1.00 0.00 H ATOM 95 HG3 ARG A 8 -3.318 -3.151 -0.189 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.655 -4.360 -2.371 1.00 0.00 H ATOM 97 HD3 ARG A 8 -0.998 -3.877 -1.949 1.00 0.00 H ATOM 98 HE ARG A 8 -2.555 -5.100 0.232 1.00 0.00 H ATOM 99 HH11 ARG A 8 -0.635 -5.756 -2.535 1.00 0.00 H ATOM 100 HH12 ARG A 8 0.235 -7.060 -1.799 1.00 0.00 H ATOM 101 HH21 ARG A 8 -1.268 -6.664 1.302 1.00 0.00 H ATOM 102 HH22 ARG A 8 -0.124 -7.575 0.373 1.00 0.00 H ATOM 103 N PRO A 9 -3.444 -0.390 -4.279 1.00 0.00 N ATOM 104 CA PRO A 9 -3.795 0.736 -5.119 1.00 0.00 C ATOM 105 C PRO A 9 -4.291 1.871 -4.247 1.00 0.00 C ATOM 106 O PRO A 9 -4.935 2.792 -4.712 1.00 0.00 O ATOM 107 CB PRO A 9 -4.916 0.194 -5.969 1.00 0.00 C ATOM 108 CG PRO A 9 -5.531 -0.922 -5.170 1.00 0.00 C ATOM 109 CD PRO A 9 -4.570 -1.275 -4.061 1.00 0.00 C ATOM 110 HA PRO A 9 -2.957 1.045 -5.706 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.644 0.970 -6.145 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.524 -0.189 -6.890 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.474 -0.596 -4.750 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.686 -1.784 -5.802 1.00 0.00 H ATOM 115 HD2 PRO A 9 -5.010 -1.090 -3.090 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.246 -2.304 -4.143 1.00 0.00 H ATOM 117 N GLY A 10 -4.016 1.813 -2.981 1.00 0.00 N ATOM 118 CA GLY A 10 -4.511 2.913 -2.104 1.00 0.00 C ATOM 119 C GLY A 10 -3.813 2.925 -0.744 1.00 0.00 C ATOM 120 O GLY A 10 -4.398 3.325 0.243 1.00 0.00 O ATOM 121 H GLY A 10 -3.497 1.045 -2.617 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.335 3.858 -2.596 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.572 2.789 -1.952 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 0.207 -0.112 4.304 1.00 0.00 ZN HETATM 126 O HOH A 201 0.410 -0.124 6.395 1.00 0.00 O HETATM 127 H1 HOH A 201 1.328 -0.282 6.627 1.00 0.00 H HETATM 128 H2 HOH A 201 0.223 0.752 6.741 1.00 0.00 H ENDMDL MODEL 2 ATOM 1 N MET A 1 -2.580 2.221 -0.519 1.00 0.00 N ATOM 2 CA MET A 1 -1.891 2.112 0.811 1.00 0.00 C ATOM 3 C MET A 1 -0.747 3.131 0.889 1.00 0.00 C ATOM 4 O MET A 1 -0.374 3.579 1.955 1.00 0.00 O ATOM 5 CB MET A 1 -1.378 0.676 0.898 1.00 0.00 C ATOM 6 CG MET A 1 -2.345 -0.187 1.718 1.00 0.00 C ATOM 7 SD MET A 1 -1.925 -0.142 3.480 1.00 0.00 S ATOM 8 CE MET A 1 -2.500 1.542 3.806 1.00 0.00 C ATOM 9 H1 MET A 1 -2.311 1.649 -1.291 1.00 0.00 H ATOM 10 HA MET A 1 -2.596 2.295 1.602 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.322 0.278 -0.091 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.399 0.655 1.354 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.350 0.174 1.580 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.291 -1.202 1.373 1.00 0.00 H ATOM 15 HE1 MET A 1 -2.623 1.679 4.872 1.00 0.00 H ATOM 16 HE2 MET A 1 -3.443 1.704 3.305 1.00 0.00 H ATOM 17 HE3 MET A 1 -1.774 2.250 3.438 1.00 0.00 H ATOM 18 N ASP A 2 -0.196 3.510 -0.235 1.00 0.00 N ATOM 19 CA ASP A 2 0.914 4.513 -0.236 1.00 0.00 C ATOM 20 C ASP A 2 2.153 3.906 0.410 1.00 0.00 C ATOM 21 O ASP A 2 2.917 4.570 1.082 1.00 0.00 O ATOM 22 CB ASP A 2 0.393 5.686 0.595 1.00 0.00 C ATOM 23 CG ASP A 2 1.196 6.943 0.259 1.00 0.00 C ATOM 24 OD1 ASP A 2 1.330 7.241 -0.915 1.00 0.00 O ATOM 25 OD2 ASP A 2 1.666 7.587 1.184 1.00 0.00 O ATOM 26 H ASP A 2 -0.514 3.135 -1.080 1.00 0.00 H ATOM 27 HA ASP A 2 1.130 4.836 -1.240 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.651 5.853 0.367 1.00 0.00 H ATOM 29 HB3 ASP A 2 0.504 5.460 1.646 1.00 0.00 H ATOM 30 N CYS A 3 2.328 2.637 0.228 1.00 0.00 N ATOM 31 CA CYS A 3 3.490 1.936 0.845 1.00 0.00 C ATOM 32 C CYS A 3 4.378 1.257 -0.207 1.00 0.00 C ATOM 33 O CYS A 3 4.496 1.697 -1.334 1.00 0.00 O ATOM 34 CB CYS A 3 2.841 0.848 1.679 1.00 0.00 C ATOM 35 SG CYS A 3 1.696 1.530 2.888 1.00 0.00 S ATOM 36 H CYS A 3 1.671 2.134 -0.297 1.00 0.00 H ATOM 37 HA CYS A 3 4.060 2.597 1.475 1.00 0.00 H ATOM 38 HB2 CYS A 3 2.293 0.187 1.022 1.00 0.00 H ATOM 39 HB3 CYS A 3 3.600 0.289 2.192 1.00 0.00 H ATOM 40 N SER A 4 4.982 0.160 0.177 1.00 0.00 N ATOM 41 CA SER A 4 5.847 -0.621 -0.751 1.00 0.00 C ATOM 42 C SER A 4 5.461 -2.110 -0.660 1.00 0.00 C ATOM 43 O SER A 4 5.635 -2.865 -1.595 1.00 0.00 O ATOM 44 CB SER A 4 7.274 -0.395 -0.254 1.00 0.00 C ATOM 45 OG SER A 4 7.374 -0.824 1.097 1.00 0.00 O ATOM 46 H SER A 4 4.853 -0.161 1.085 1.00 0.00 H ATOM 47 HA SER A 4 5.740 -0.260 -1.761 1.00 0.00 H ATOM 48 HB2 SER A 4 7.962 -0.962 -0.859 1.00 0.00 H ATOM 49 HB3 SER A 4 7.515 0.657 -0.328 1.00 0.00 H ATOM 50 HG SER A 4 6.828 -0.245 1.633 1.00 0.00 H ATOM 51 N GLY A 5 4.918 -2.528 0.464 1.00 0.00 N ATOM 52 CA GLY A 5 4.492 -3.952 0.631 1.00 0.00 C ATOM 53 C GLY A 5 3.042 -3.964 1.107 1.00 0.00 C ATOM 54 O GLY A 5 2.702 -4.494 2.147 1.00 0.00 O ATOM 55 H GLY A 5 4.777 -1.899 1.197 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.567 -4.461 -0.318 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.115 -4.434 1.361 1.00 0.00 H ATOM 58 N CYS A 6 2.206 -3.365 0.322 1.00 0.00 N ATOM 59 CA CYS A 6 0.748 -3.243 0.601 1.00 0.00 C ATOM 60 C CYS A 6 0.276 -1.952 -0.006 1.00 0.00 C ATOM 61 O CYS A 6 -0.877 -1.636 0.033 1.00 0.00 O ATOM 62 CB CYS A 6 0.502 -3.178 2.103 1.00 0.00 C ATOM 63 SG CYS A 6 1.698 -2.092 2.930 1.00 0.00 S ATOM 64 H CYS A 6 2.549 -2.972 -0.501 1.00 0.00 H ATOM 65 HA CYS A 6 0.214 -4.077 0.170 1.00 0.00 H ATOM 66 HB2 CYS A 6 -0.493 -2.789 2.259 1.00 0.00 H ATOM 67 HB3 CYS A 6 0.568 -4.170 2.503 1.00 0.00 H ATOM 68 N SER A 7 1.161 -1.186 -0.563 1.00 0.00 N ATOM 69 CA SER A 7 0.737 0.081 -1.169 1.00 0.00 C ATOM 70 C SER A 7 -0.519 -0.132 -1.990 1.00 0.00 C ATOM 71 O SER A 7 -1.259 0.803 -2.215 1.00 0.00 O ATOM 72 CB SER A 7 1.886 0.487 -2.073 1.00 0.00 C ATOM 73 OG SER A 7 1.369 1.111 -3.241 1.00 0.00 O ATOM 74 H SER A 7 2.099 -1.435 -0.578 1.00 0.00 H ATOM 75 HA SER A 7 0.576 0.814 -0.410 1.00 0.00 H ATOM 76 HB2 SER A 7 2.519 1.175 -1.555 1.00 0.00 H ATOM 77 HB3 SER A 7 2.451 -0.394 -2.342 1.00 0.00 H ATOM 78 HG SER A 7 0.939 0.437 -3.771 1.00 0.00 H ATOM 79 N ARG A 8 -0.777 -1.359 -2.403 1.00 0.00 N ATOM 80 CA ARG A 8 -1.996 -1.658 -3.202 1.00 0.00 C ATOM 81 C ARG A 8 -2.360 -0.406 -4.013 1.00 0.00 C ATOM 82 O ARG A 8 -1.480 0.351 -4.372 1.00 0.00 O ATOM 83 CB ARG A 8 -3.045 -2.041 -2.148 1.00 0.00 C ATOM 84 CG ARG A 8 -2.467 -3.122 -1.233 1.00 0.00 C ATOM 85 CD ARG A 8 -3.017 -2.959 0.180 1.00 0.00 C ATOM 86 NE ARG A 8 -3.933 -4.110 0.372 1.00 0.00 N ATOM 87 CZ ARG A 8 -5.126 -3.925 0.865 1.00 0.00 C ATOM 88 NH1 ARG A 8 -5.364 -2.889 1.622 1.00 0.00 N ATOM 89 NH2 ARG A 8 -6.079 -4.777 0.604 1.00 0.00 N ATOM 90 H ARG A 8 -0.178 -2.085 -2.163 1.00 0.00 H ATOM 91 HA ARG A 8 -1.813 -2.492 -3.863 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.316 -1.172 -1.568 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.918 -2.440 -2.628 1.00 0.00 H ATOM 94 HG2 ARG A 8 -2.741 -4.086 -1.610 1.00 0.00 H ATOM 95 HG3 ARG A 8 -1.395 -3.041 -1.209 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.209 -2.995 0.900 1.00 0.00 H ATOM 97 HD3 ARG A 8 -3.558 -2.031 0.267 1.00 0.00 H ATOM 98 HE ARG A 8 -3.637 -5.008 0.130 1.00 0.00 H ATOM 99 HH11 ARG A 8 -4.634 -2.238 1.822 1.00 0.00 H ATOM 100 HH12 ARG A 8 -6.279 -2.747 2.001 1.00 0.00 H ATOM 101 HH21 ARG A 8 -5.893 -5.571 0.025 1.00 0.00 H ATOM 102 HH22 ARG A 8 -6.993 -4.636 0.982 1.00 0.00 H ATOM 103 N PRO A 9 -3.604 -0.198 -4.292 1.00 0.00 N ATOM 104 CA PRO A 9 -3.970 1.000 -5.042 1.00 0.00 C ATOM 105 C PRO A 9 -4.269 2.185 -4.131 1.00 0.00 C ATOM 106 O PRO A 9 -4.795 3.189 -4.568 1.00 0.00 O ATOM 107 CB PRO A 9 -5.230 0.583 -5.762 1.00 0.00 C ATOM 108 CG PRO A 9 -5.830 -0.512 -4.926 1.00 0.00 C ATOM 109 CD PRO A 9 -4.756 -1.031 -4.002 1.00 0.00 C ATOM 110 HA PRO A 9 -3.194 1.246 -5.727 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.908 1.419 -5.820 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.990 0.208 -6.738 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.656 -0.118 -4.348 1.00 0.00 H ATOM 114 HG3 PRO A 9 -6.175 -1.312 -5.565 1.00 0.00 H ATOM 115 HD2 PRO A 9 -5.046 -0.927 -2.965 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.524 -2.062 -4.232 1.00 0.00 H ATOM 117 N GLY A 10 -3.953 2.091 -2.884 1.00 0.00 N ATOM 118 CA GLY A 10 -4.249 3.241 -1.986 1.00 0.00 C ATOM 119 C GLY A 10 -3.539 3.098 -0.642 1.00 0.00 C ATOM 120 O GLY A 10 -3.854 3.801 0.298 1.00 0.00 O ATOM 121 H GLY A 10 -3.535 1.276 -2.545 1.00 0.00 H ATOM 122 HA2 GLY A 10 -3.923 4.154 -2.464 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.315 3.292 -1.818 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 0.748 -0.255 3.854 1.00 0.00 ZN HETATM 126 O HOH A 201 1.158 -0.230 5.914 1.00 0.00 O HETATM 127 H1 HOH A 201 0.337 -0.328 6.404 1.00 0.00 H HETATM 128 H2 HOH A 201 1.486 0.636 6.166 1.00 0.00 H ENDMDL MODEL 3 ATOM 1 N MET A 1 -2.552 2.269 -0.441 1.00 0.00 N ATOM 2 CA MET A 1 -1.739 2.231 0.816 1.00 0.00 C ATOM 3 C MET A 1 -0.607 3.259 0.721 1.00 0.00 C ATOM 4 O MET A 1 -0.108 3.744 1.716 1.00 0.00 O ATOM 5 CB MET A 1 -1.189 0.807 0.912 1.00 0.00 C ATOM 6 CG MET A 1 -2.063 -0.039 1.840 1.00 0.00 C ATOM 7 SD MET A 1 -1.302 -0.155 3.480 1.00 0.00 S ATOM 8 CE MET A 1 -2.344 -1.488 4.121 1.00 0.00 C ATOM 9 H1 MET A 1 -2.229 1.828 -1.266 1.00 0.00 H ATOM 10 HA MET A 1 -2.363 2.443 1.670 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.198 0.366 -0.061 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.177 0.829 1.291 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.038 0.410 1.921 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.168 -1.026 1.429 1.00 0.00 H ATOM 15 HE1 MET A 1 -2.068 -2.420 3.644 1.00 0.00 H ATOM 16 HE2 MET A 1 -3.381 -1.265 3.914 1.00 0.00 H ATOM 17 HE3 MET A 1 -2.202 -1.577 5.187 1.00 0.00 H ATOM 18 N ASP A 2 -0.201 3.593 -0.476 1.00 0.00 N ATOM 19 CA ASP A 2 0.895 4.589 -0.647 1.00 0.00 C ATOM 20 C ASP A 2 2.124 4.098 0.101 1.00 0.00 C ATOM 21 O ASP A 2 2.838 4.856 0.727 1.00 0.00 O ATOM 22 CB ASP A 2 0.363 5.882 -0.026 1.00 0.00 C ATOM 23 CG ASP A 2 0.635 7.053 -0.973 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.903 6.798 -2.136 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.571 8.182 -0.518 1.00 0.00 O ATOM 26 H ASP A 2 -0.614 3.185 -1.259 1.00 0.00 H ATOM 27 HA ASP A 2 1.116 4.738 -1.692 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.702 5.791 0.138 1.00 0.00 H ATOM 29 HB3 ASP A 2 0.860 6.061 0.917 1.00 0.00 H ATOM 30 N CYS A 3 2.348 2.820 0.067 1.00 0.00 N ATOM 31 CA CYS A 3 3.504 2.248 0.803 1.00 0.00 C ATOM 32 C CYS A 3 4.334 1.304 -0.095 1.00 0.00 C ATOM 33 O CYS A 3 4.564 1.606 -1.251 1.00 0.00 O ATOM 34 CB CYS A 3 2.832 1.546 1.976 1.00 0.00 C ATOM 35 SG CYS A 3 2.239 -0.084 1.499 1.00 0.00 S ATOM 36 H CYS A 3 1.734 2.233 -0.421 1.00 0.00 H ATOM 37 HA CYS A 3 4.130 3.042 1.172 1.00 0.00 H ATOM 38 HB2 CYS A 3 3.527 1.451 2.786 1.00 0.00 H ATOM 39 HB3 CYS A 3 1.986 2.145 2.296 1.00 0.00 H ATOM 40 N SER A 4 4.834 0.197 0.409 1.00 0.00 N ATOM 41 CA SER A 4 5.678 -0.677 -0.472 1.00 0.00 C ATOM 42 C SER A 4 5.299 -2.171 -0.412 1.00 0.00 C ATOM 43 O SER A 4 5.453 -2.881 -1.385 1.00 0.00 O ATOM 44 CB SER A 4 7.101 -0.481 0.049 1.00 0.00 C ATOM 45 OG SER A 4 7.821 -1.700 -0.082 1.00 0.00 O ATOM 46 H SER A 4 4.693 -0.035 1.349 1.00 0.00 H ATOM 47 HA SER A 4 5.626 -0.328 -1.490 1.00 0.00 H ATOM 48 HB2 SER A 4 7.594 0.286 -0.525 1.00 0.00 H ATOM 49 HB3 SER A 4 7.064 -0.182 1.089 1.00 0.00 H ATOM 50 HG SER A 4 8.551 -1.549 -0.688 1.00 0.00 H ATOM 51 N GLY A 5 4.833 -2.674 0.702 1.00 0.00 N ATOM 52 CA GLY A 5 4.495 -4.135 0.757 1.00 0.00 C ATOM 53 C GLY A 5 3.002 -4.322 0.937 1.00 0.00 C ATOM 54 O GLY A 5 2.524 -5.220 1.602 1.00 0.00 O ATOM 55 H GLY A 5 4.721 -2.108 1.492 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.791 -4.592 -0.173 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.012 -4.590 1.574 1.00 0.00 H ATOM 58 N CYS A 6 2.295 -3.467 0.310 1.00 0.00 N ATOM 59 CA CYS A 6 0.825 -3.448 0.312 1.00 0.00 C ATOM 60 C CYS A 6 0.418 -2.041 -0.054 1.00 0.00 C ATOM 61 O CYS A 6 -0.643 -1.586 0.284 1.00 0.00 O ATOM 62 CB CYS A 6 0.284 -3.826 1.699 1.00 0.00 C ATOM 63 SG CYS A 6 1.342 -3.256 3.060 1.00 0.00 S ATOM 64 H CYS A 6 2.753 -2.809 -0.216 1.00 0.00 H ATOM 65 HA CYS A 6 0.452 -4.139 -0.430 1.00 0.00 H ATOM 66 HB2 CYS A 6 -0.692 -3.384 1.813 1.00 0.00 H ATOM 67 HB3 CYS A 6 0.187 -4.899 1.746 1.00 0.00 H ATOM 68 N SER A 7 1.255 -1.354 -0.776 1.00 0.00 N ATOM 69 CA SER A 7 0.893 0.008 -1.201 1.00 0.00 C ATOM 70 C SER A 7 -0.396 -0.090 -1.975 1.00 0.00 C ATOM 71 O SER A 7 -1.137 0.867 -2.079 1.00 0.00 O ATOM 72 CB SER A 7 2.028 0.449 -2.110 1.00 0.00 C ATOM 73 OG SER A 7 1.499 0.940 -3.335 1.00 0.00 O ATOM 74 H SER A 7 2.108 -1.744 -1.060 1.00 0.00 H ATOM 75 HA SER A 7 0.790 0.670 -0.359 1.00 0.00 H ATOM 76 HB2 SER A 7 2.585 1.225 -1.631 1.00 0.00 H ATOM 77 HB3 SER A 7 2.674 -0.397 -2.297 1.00 0.00 H ATOM 78 HG SER A 7 0.893 1.656 -3.131 1.00 0.00 H ATOM 79 N ARG A 8 -0.674 -1.269 -2.482 1.00 0.00 N ATOM 80 CA ARG A 8 -1.912 -1.507 -3.245 1.00 0.00 C ATOM 81 C ARG A 8 -2.284 -0.221 -3.988 1.00 0.00 C ATOM 82 O ARG A 8 -1.436 0.617 -4.226 1.00 0.00 O ATOM 83 CB ARG A 8 -2.952 -1.887 -2.180 1.00 0.00 C ATOM 84 CG ARG A 8 -2.356 -2.906 -1.212 1.00 0.00 C ATOM 85 CD ARG A 8 -2.956 -2.703 0.173 1.00 0.00 C ATOM 86 NE ARG A 8 -3.991 -3.760 0.302 1.00 0.00 N ATOM 87 CZ ARG A 8 -5.173 -3.466 0.771 1.00 0.00 C ATOM 88 NH1 ARG A 8 -5.797 -2.401 0.346 1.00 0.00 N ATOM 89 NH2 ARG A 8 -5.730 -4.235 1.667 1.00 0.00 N ATOM 90 H ARG A 8 -0.065 -2.012 -2.334 1.00 0.00 H ATOM 91 HA ARG A 8 -1.760 -2.324 -3.929 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.253 -1.003 -1.637 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.811 -2.328 -2.650 1.00 0.00 H ATOM 94 HG2 ARG A 8 -2.582 -3.897 -1.553 1.00 0.00 H ATOM 95 HG3 ARG A 8 -1.297 -2.786 -1.165 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.194 -2.823 0.930 1.00 0.00 H ATOM 97 HD3 ARG A 8 -3.409 -1.728 0.244 1.00 0.00 H ATOM 98 HE ARG A 8 -3.784 -4.677 0.038 1.00 0.00 H ATOM 99 HH11 ARG A 8 -5.369 -1.811 -0.339 1.00 0.00 H ATOM 100 HH12 ARG A 8 -6.702 -2.176 0.705 1.00 0.00 H ATOM 101 HH21 ARG A 8 -5.251 -5.049 1.992 1.00 0.00 H ATOM 102 HH22 ARG A 8 -6.634 -4.008 2.027 1.00 0.00 H ATOM 103 N PRO A 9 -3.519 -0.073 -4.317 1.00 0.00 N ATOM 104 CA PRO A 9 -3.948 1.151 -4.979 1.00 0.00 C ATOM 105 C PRO A 9 -4.444 2.167 -3.958 1.00 0.00 C ATOM 106 O PRO A 9 -5.189 3.072 -4.279 1.00 0.00 O ATOM 107 CB PRO A 9 -5.097 0.686 -5.836 1.00 0.00 C ATOM 108 CG PRO A 9 -5.637 -0.547 -5.164 1.00 0.00 C ATOM 109 CD PRO A 9 -4.613 -1.013 -4.159 1.00 0.00 C ATOM 110 HA PRO A 9 -3.154 1.557 -5.569 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.854 1.453 -5.870 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.744 0.443 -6.819 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.566 -0.312 -4.661 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.801 -1.323 -5.898 1.00 0.00 H ATOM 115 HD2 PRO A 9 -5.006 -0.970 -3.152 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.271 -2.012 -4.393 1.00 0.00 H ATOM 117 N GLY A 10 -4.053 2.021 -2.735 1.00 0.00 N ATOM 118 CA GLY A 10 -4.530 2.984 -1.703 1.00 0.00 C ATOM 119 C GLY A 10 -3.688 2.914 -0.425 1.00 0.00 C ATOM 120 O GLY A 10 -4.066 3.466 0.589 1.00 0.00 O ATOM 121 H GLY A 10 -3.461 1.278 -2.502 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.476 3.985 -2.105 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.557 2.757 -1.460 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 1.253 -1.021 3.279 1.00 0.00 ZN HETATM 126 O HOH A 201 2.300 -0.463 5.011 1.00 0.00 O HETATM 127 H1 HOH A 201 3.224 -0.316 4.794 1.00 0.00 H HETATM 128 H2 HOH A 201 1.985 0.391 5.315 1.00 0.00 H ENDMDL MODEL 4 ATOM 1 N MET A 1 -2.619 2.474 -0.943 1.00 0.00 N ATOM 2 CA MET A 1 -1.800 2.507 0.285 1.00 0.00 C ATOM 3 C MET A 1 -0.464 3.154 -0.059 1.00 0.00 C ATOM 4 O MET A 1 0.272 2.680 -0.896 1.00 0.00 O ATOM 5 CB MET A 1 -1.592 1.037 0.685 1.00 0.00 C ATOM 6 CG MET A 1 -2.313 0.719 1.990 1.00 0.00 C ATOM 7 SD MET A 1 -1.438 1.505 3.369 1.00 0.00 S ATOM 8 CE MET A 1 -2.802 1.464 4.558 1.00 0.00 C ATOM 9 H1 MET A 1 -2.320 1.941 -1.706 1.00 0.00 H ATOM 10 HA MET A 1 -2.302 3.048 1.070 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.975 0.396 -0.090 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.540 0.851 0.821 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.329 1.074 1.938 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.313 -0.350 2.138 1.00 0.00 H ATOM 15 HE1 MET A 1 -3.716 1.189 4.048 1.00 0.00 H ATOM 16 HE2 MET A 1 -2.914 2.441 5.009 1.00 0.00 H ATOM 17 HE3 MET A 1 -2.590 0.739 5.327 1.00 0.00 H ATOM 18 N ASP A 2 -0.134 4.227 0.567 1.00 0.00 N ATOM 19 CA ASP A 2 1.180 4.860 0.268 1.00 0.00 C ATOM 20 C ASP A 2 2.264 3.970 0.880 1.00 0.00 C ATOM 21 O ASP A 2 2.997 4.377 1.758 1.00 0.00 O ATOM 22 CB ASP A 2 1.140 6.228 0.953 1.00 0.00 C ATOM 23 CG ASP A 2 1.517 7.315 -0.056 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.723 7.570 -0.946 1.00 0.00 O ATOM 25 OD2 ASP A 2 2.593 7.873 0.078 1.00 0.00 O ATOM 26 H ASP A 2 -0.736 4.603 1.233 1.00 0.00 H ATOM 27 HA ASP A 2 1.323 4.969 -0.796 1.00 0.00 H ATOM 28 HB2 ASP A 2 0.143 6.413 1.329 1.00 0.00 H ATOM 29 HB3 ASP A 2 1.845 6.240 1.773 1.00 0.00 H ATOM 30 N CYS A 3 2.323 2.730 0.459 1.00 0.00 N ATOM 31 CA CYS A 3 3.313 1.783 1.064 1.00 0.00 C ATOM 32 C CYS A 3 4.273 1.176 0.028 1.00 0.00 C ATOM 33 O CYS A 3 4.460 1.679 -1.062 1.00 0.00 O ATOM 34 CB CYS A 3 2.431 0.670 1.633 1.00 0.00 C ATOM 35 SG CYS A 3 2.516 0.623 3.435 1.00 0.00 S ATOM 36 H CYS A 3 1.683 2.409 -0.224 1.00 0.00 H ATOM 37 HA CYS A 3 3.860 2.254 1.861 1.00 0.00 H ATOM 38 HB2 CYS A 3 1.409 0.848 1.344 1.00 0.00 H ATOM 39 HB3 CYS A 3 2.752 -0.280 1.234 1.00 0.00 H ATOM 40 N SER A 4 4.855 0.066 0.396 1.00 0.00 N ATOM 41 CA SER A 4 5.794 -0.682 -0.492 1.00 0.00 C ATOM 42 C SER A 4 5.599 -2.165 -0.173 1.00 0.00 C ATOM 43 O SER A 4 6.241 -2.715 0.701 1.00 0.00 O ATOM 44 CB SER A 4 7.195 -0.214 -0.100 1.00 0.00 C ATOM 45 OG SER A 4 8.161 -1.000 -0.787 1.00 0.00 O ATOM 46 H SER A 4 4.653 -0.300 1.282 1.00 0.00 H ATOM 47 HA SER A 4 5.592 -0.476 -1.532 1.00 0.00 H ATOM 48 HB2 SER A 4 7.321 0.821 -0.373 1.00 0.00 H ATOM 49 HB3 SER A 4 7.324 -0.321 0.969 1.00 0.00 H ATOM 50 HG SER A 4 8.980 -0.967 -0.288 1.00 0.00 H ATOM 51 N GLY A 5 4.650 -2.787 -0.813 1.00 0.00 N ATOM 52 CA GLY A 5 4.326 -4.205 -0.483 1.00 0.00 C ATOM 53 C GLY A 5 3.191 -4.105 0.526 1.00 0.00 C ATOM 54 O GLY A 5 3.250 -4.612 1.626 1.00 0.00 O ATOM 55 H GLY A 5 4.101 -2.298 -1.462 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.002 -4.730 -1.371 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.173 -4.693 -0.035 1.00 0.00 H ATOM 58 N CYS A 6 2.193 -3.370 0.126 1.00 0.00 N ATOM 59 CA CYS A 6 1.000 -3.052 0.965 1.00 0.00 C ATOM 60 C CYS A 6 0.427 -1.765 0.413 1.00 0.00 C ATOM 61 O CYS A 6 -0.694 -1.391 0.669 1.00 0.00 O ATOM 62 CB CYS A 6 1.516 -2.769 2.352 1.00 0.00 C ATOM 63 SG CYS A 6 0.154 -2.219 3.418 1.00 0.00 S ATOM 64 H CYS A 6 2.247 -2.972 -0.766 1.00 0.00 H ATOM 65 HA CYS A 6 0.278 -3.853 0.964 1.00 0.00 H ATOM 66 HB2 CYS A 6 1.946 -3.658 2.752 1.00 0.00 H ATOM 67 HB3 CYS A 6 2.257 -1.990 2.283 1.00 0.00 H ATOM 68 N SER A 7 1.222 -1.071 -0.351 1.00 0.00 N ATOM 69 CA SER A 7 0.765 0.175 -0.951 1.00 0.00 C ATOM 70 C SER A 7 -0.524 -0.079 -1.693 1.00 0.00 C ATOM 71 O SER A 7 -1.245 0.840 -2.008 1.00 0.00 O ATOM 72 CB SER A 7 1.857 0.561 -1.924 1.00 0.00 C ATOM 73 OG SER A 7 1.273 1.084 -3.110 1.00 0.00 O ATOM 74 H SER A 7 2.123 -1.373 -0.526 1.00 0.00 H ATOM 75 HA SER A 7 0.650 0.920 -0.212 1.00 0.00 H ATOM 76 HB2 SER A 7 2.478 1.307 -1.474 1.00 0.00 H ATOM 77 HB3 SER A 7 2.445 -0.315 -2.153 1.00 0.00 H ATOM 78 HG SER A 7 0.624 1.743 -2.856 1.00 0.00 H ATOM 79 N ARG A 8 -0.819 -1.331 -1.957 1.00 0.00 N ATOM 80 CA ARG A 8 -2.071 -1.675 -2.690 1.00 0.00 C ATOM 81 C ARG A 8 -2.349 -0.577 -3.726 1.00 0.00 C ATOM 82 O ARG A 8 -1.451 0.153 -4.099 1.00 0.00 O ATOM 83 CB ARG A 8 -3.153 -1.729 -1.601 1.00 0.00 C ATOM 84 CG ARG A 8 -2.679 -2.607 -0.448 1.00 0.00 C ATOM 85 CD ARG A 8 -3.139 -2.005 0.869 1.00 0.00 C ATOM 86 NE ARG A 8 -4.388 -2.737 1.216 1.00 0.00 N ATOM 87 CZ ARG A 8 -4.886 -2.643 2.419 1.00 0.00 C ATOM 88 NH1 ARG A 8 -5.274 -1.484 2.877 1.00 0.00 N ATOM 89 NH2 ARG A 8 -4.998 -3.708 3.164 1.00 0.00 N ATOM 90 H ARG A 8 -0.213 -2.044 -1.663 1.00 0.00 H ATOM 91 HA ARG A 8 -1.975 -2.636 -3.172 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.357 -0.732 -1.242 1.00 0.00 H ATOM 93 HB3 ARG A 8 -4.051 -2.157 -2.002 1.00 0.00 H ATOM 94 HG2 ARG A 8 -3.104 -3.587 -0.553 1.00 0.00 H ATOM 95 HG3 ARG A 8 -1.608 -2.675 -0.460 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.381 -2.155 1.629 1.00 0.00 H ATOM 97 HD3 ARG A 8 -3.344 -0.955 0.743 1.00 0.00 H ATOM 98 HE ARG A 8 -4.837 -3.288 0.542 1.00 0.00 H ATOM 99 HH11 ARG A 8 -5.190 -0.668 2.306 1.00 0.00 H ATOM 100 HH12 ARG A 8 -5.655 -1.413 3.799 1.00 0.00 H ATOM 101 HH21 ARG A 8 -4.702 -4.597 2.813 1.00 0.00 H ATOM 102 HH22 ARG A 8 -5.379 -3.637 4.085 1.00 0.00 H ATOM 103 N PRO A 9 -3.564 -0.468 -4.152 1.00 0.00 N ATOM 104 CA PRO A 9 -3.911 0.580 -5.109 1.00 0.00 C ATOM 105 C PRO A 9 -4.378 1.832 -4.371 1.00 0.00 C ATOM 106 O PRO A 9 -5.025 2.695 -4.930 1.00 0.00 O ATOM 107 CB PRO A 9 -5.055 -0.031 -5.880 1.00 0.00 C ATOM 108 CG PRO A 9 -5.673 -1.049 -4.964 1.00 0.00 C ATOM 109 CD PRO A 9 -4.708 -1.300 -3.833 1.00 0.00 C ATOM 110 HA PRO A 9 -3.079 0.794 -5.751 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.774 0.732 -6.123 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.684 -0.513 -6.763 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.608 -0.670 -4.573 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.845 -1.970 -5.502 1.00 0.00 H ATOM 115 HD2 PRO A 9 -5.138 -0.999 -2.887 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.409 -2.338 -3.802 1.00 0.00 H ATOM 117 N GLY A 10 -4.061 1.923 -3.120 1.00 0.00 N ATOM 118 CA GLY A 10 -4.490 3.112 -2.324 1.00 0.00 C ATOM 119 C GLY A 10 -3.710 3.172 -1.017 1.00 0.00 C ATOM 120 O GLY A 10 -4.083 3.863 -0.090 1.00 0.00 O ATOM 121 H GLY A 10 -3.542 1.204 -2.704 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.301 4.011 -2.893 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.543 3.039 -2.105 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 0.541 -0.138 4.205 1.00 0.00 ZN HETATM 126 O HOH A 201 0.575 -0.180 6.305 1.00 0.00 O HETATM 127 H1 HOH A 201 -0.098 -0.785 6.624 1.00 0.00 H HETATM 128 H2 HOH A 201 1.403 -0.563 6.605 1.00 0.00 H ENDMDL MODEL 5 ATOM 1 N MET A 1 -2.603 2.445 -0.639 1.00 0.00 N ATOM 2 CA MET A 1 -1.971 2.405 0.725 1.00 0.00 C ATOM 3 C MET A 1 -0.783 3.374 0.812 1.00 0.00 C ATOM 4 O MET A 1 -0.469 3.878 1.872 1.00 0.00 O ATOM 5 CB MET A 1 -1.539 0.954 0.940 1.00 0.00 C ATOM 6 CG MET A 1 -2.695 0.177 1.551 1.00 0.00 C ATOM 7 SD MET A 1 -2.198 -0.801 3.008 1.00 0.00 S ATOM 8 CE MET A 1 -3.305 -0.009 4.199 1.00 0.00 C ATOM 9 H1 MET A 1 -2.222 1.933 -1.403 1.00 0.00 H ATOM 10 HA MET A 1 -2.706 2.672 1.469 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.296 0.518 -0.005 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.688 0.907 1.588 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.467 0.866 1.842 1.00 0.00 H ATOM 14 HG3 MET A 1 -3.088 -0.485 0.799 1.00 0.00 H ATOM 15 HE1 MET A 1 -4.249 0.209 3.721 1.00 0.00 H ATOM 16 HE2 MET A 1 -2.854 0.907 4.554 1.00 0.00 H ATOM 17 HE3 MET A 1 -3.472 -0.671 5.034 1.00 0.00 H ATOM 18 N ASP A 2 -0.124 3.647 -0.283 1.00 0.00 N ATOM 19 CA ASP A 2 1.036 4.595 -0.242 1.00 0.00 C ATOM 20 C ASP A 2 2.203 3.942 0.493 1.00 0.00 C ATOM 21 O ASP A 2 3.008 4.591 1.129 1.00 0.00 O ATOM 22 CB ASP A 2 0.532 5.821 0.523 1.00 0.00 C ATOM 23 CG ASP A 2 1.154 7.085 -0.070 1.00 0.00 C ATOM 24 OD1 ASP A 2 1.194 7.188 -1.285 1.00 0.00 O ATOM 25 OD2 ASP A 2 1.580 7.932 0.700 1.00 0.00 O ATOM 26 H ASP A 2 -0.387 3.231 -1.128 1.00 0.00 H ATOM 27 HA ASP A 2 1.328 4.876 -1.242 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.545 5.877 0.443 1.00 0.00 H ATOM 29 HB3 ASP A 2 0.813 5.737 1.563 1.00 0.00 H ATOM 30 N CYS A 3 2.274 2.651 0.411 1.00 0.00 N ATOM 31 CA CYS A 3 3.357 1.894 1.097 1.00 0.00 C ATOM 32 C CYS A 3 4.359 1.322 0.081 1.00 0.00 C ATOM 33 O CYS A 3 4.808 2.004 -0.819 1.00 0.00 O ATOM 34 CB CYS A 3 2.620 0.749 1.772 1.00 0.00 C ATOM 35 SG CYS A 3 1.304 1.362 2.840 1.00 0.00 S ATOM 36 H CYS A 3 1.596 2.170 -0.103 1.00 0.00 H ATOM 37 HA CYS A 3 3.853 2.505 1.834 1.00 0.00 H ATOM 38 HB2 CYS A 3 2.186 0.117 1.011 1.00 0.00 H ATOM 39 HB3 CYS A 3 3.318 0.174 2.358 1.00 0.00 H ATOM 40 N SER A 4 4.692 0.057 0.214 1.00 0.00 N ATOM 41 CA SER A 4 5.640 -0.590 -0.736 1.00 0.00 C ATOM 42 C SER A 4 5.263 -2.069 -0.908 1.00 0.00 C ATOM 43 O SER A 4 5.305 -2.607 -1.997 1.00 0.00 O ATOM 44 CB SER A 4 7.016 -0.452 -0.085 1.00 0.00 C ATOM 45 OG SER A 4 8.016 -0.471 -1.094 1.00 0.00 O ATOM 46 H SER A 4 4.310 -0.476 0.938 1.00 0.00 H ATOM 47 HA SER A 4 5.626 -0.082 -1.687 1.00 0.00 H ATOM 48 HB2 SER A 4 7.071 0.481 0.451 1.00 0.00 H ATOM 49 HB3 SER A 4 7.170 -1.270 0.606 1.00 0.00 H ATOM 50 HG SER A 4 8.766 -0.967 -0.759 1.00 0.00 H ATOM 51 N GLY A 5 4.881 -2.726 0.160 1.00 0.00 N ATOM 52 CA GLY A 5 4.485 -4.166 0.059 1.00 0.00 C ATOM 53 C GLY A 5 3.002 -4.318 0.394 1.00 0.00 C ATOM 54 O GLY A 5 2.475 -5.407 0.507 1.00 0.00 O ATOM 55 H GLY A 5 4.845 -2.270 1.026 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.655 -4.506 -0.951 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.068 -4.747 0.745 1.00 0.00 H ATOM 58 N CYS A 6 2.334 -3.219 0.505 1.00 0.00 N ATOM 59 CA CYS A 6 0.890 -3.191 0.776 1.00 0.00 C ATOM 60 C CYS A 6 0.436 -1.811 0.416 1.00 0.00 C ATOM 61 O CYS A 6 -0.555 -1.321 0.900 1.00 0.00 O ATOM 62 CB CYS A 6 0.673 -3.435 2.254 1.00 0.00 C ATOM 63 SG CYS A 6 1.626 -2.249 3.239 1.00 0.00 S ATOM 64 H CYS A 6 2.784 -2.378 0.366 1.00 0.00 H ATOM 65 HA CYS A 6 0.375 -3.932 0.184 1.00 0.00 H ATOM 66 HB2 CYS A 6 -0.379 -3.317 2.466 1.00 0.00 H ATOM 67 HB3 CYS A 6 0.979 -4.436 2.488 1.00 0.00 H ATOM 68 N SER A 7 1.145 -1.204 -0.483 1.00 0.00 N ATOM 69 CA SER A 7 0.750 0.130 -0.951 1.00 0.00 C ATOM 70 C SER A 7 -0.458 -0.072 -1.824 1.00 0.00 C ATOM 71 O SER A 7 -1.177 0.858 -2.128 1.00 0.00 O ATOM 72 CB SER A 7 1.917 0.629 -1.776 1.00 0.00 C ATOM 73 OG SER A 7 1.859 2.046 -1.880 1.00 0.00 O ATOM 74 H SER A 7 1.907 -1.658 -0.889 1.00 0.00 H ATOM 75 HA SER A 7 0.536 0.786 -0.127 1.00 0.00 H ATOM 76 HB2 SER A 7 2.832 0.343 -1.299 1.00 0.00 H ATOM 77 HB3 SER A 7 1.867 0.185 -2.757 1.00 0.00 H ATOM 78 HG SER A 7 1.454 2.265 -2.722 1.00 0.00 H ATOM 79 N ARG A 8 -0.696 -1.316 -2.170 1.00 0.00 N ATOM 80 CA ARG A 8 -1.859 -1.687 -2.987 1.00 0.00 C ATOM 81 C ARG A 8 -2.233 -0.502 -3.888 1.00 0.00 C ATOM 82 O ARG A 8 -1.368 0.264 -4.269 1.00 0.00 O ATOM 83 CB ARG A 8 -2.939 -2.039 -1.948 1.00 0.00 C ATOM 84 CG ARG A 8 -2.307 -2.857 -0.820 1.00 0.00 C ATOM 85 CD ARG A 8 -3.142 -2.756 0.442 1.00 0.00 C ATOM 86 NE ARG A 8 -3.820 -4.068 0.550 1.00 0.00 N ATOM 87 CZ ARG A 8 -4.253 -4.491 1.705 1.00 0.00 C ATOM 88 NH1 ARG A 8 -5.192 -3.837 2.332 1.00 0.00 N ATOM 89 NH2 ARG A 8 -3.744 -5.568 2.235 1.00 0.00 N ATOM 90 H ARG A 8 -0.110 -2.029 -1.847 1.00 0.00 H ATOM 91 HA ARG A 8 -1.611 -2.554 -3.573 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.368 -1.133 -1.548 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.710 -2.631 -2.410 1.00 0.00 H ATOM 94 HG2 ARG A 8 -2.237 -3.884 -1.119 1.00 0.00 H ATOM 95 HG3 ARG A 8 -1.334 -2.485 -0.615 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.497 -2.584 1.293 1.00 0.00 H ATOM 97 HD3 ARG A 8 -3.866 -1.970 0.345 1.00 0.00 H ATOM 98 HE ARG A 8 -3.938 -4.615 -0.248 1.00 0.00 H ATOM 99 HH11 ARG A 8 -5.581 -3.010 1.925 1.00 0.00 H ATOM 100 HH12 ARG A 8 -5.522 -4.163 3.217 1.00 0.00 H ATOM 101 HH21 ARG A 8 -3.025 -6.070 1.755 1.00 0.00 H ATOM 102 HH22 ARG A 8 -4.076 -5.894 3.121 1.00 0.00 H ATOM 103 N PRO A 9 -3.476 -0.363 -4.213 1.00 0.00 N ATOM 104 CA PRO A 9 -3.873 0.765 -5.053 1.00 0.00 C ATOM 105 C PRO A 9 -4.259 1.996 -4.238 1.00 0.00 C ATOM 106 O PRO A 9 -4.848 2.925 -4.753 1.00 0.00 O ATOM 107 CB PRO A 9 -5.087 0.234 -5.780 1.00 0.00 C ATOM 108 CG PRO A 9 -5.660 -0.833 -4.888 1.00 0.00 C ATOM 109 CD PRO A 9 -4.597 -1.227 -3.892 1.00 0.00 C ATOM 110 HA PRO A 9 -3.088 1.002 -5.732 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.802 1.030 -5.918 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.793 -0.192 -6.720 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.527 -0.446 -4.367 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.939 -1.693 -5.479 1.00 0.00 H ATOM 115 HD2 PRO A 9 -4.928 -1.056 -2.875 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.311 -2.260 -4.031 1.00 0.00 H ATOM 117 N GLY A 10 -3.944 2.024 -2.988 1.00 0.00 N ATOM 118 CA GLY A 10 -4.317 3.221 -2.183 1.00 0.00 C ATOM 119 C GLY A 10 -3.671 3.172 -0.802 1.00 0.00 C ATOM 120 O GLY A 10 -4.142 3.799 0.127 1.00 0.00 O ATOM 121 H GLY A 10 -3.473 1.269 -2.585 1.00 0.00 H ATOM 122 HA2 GLY A 10 -3.989 4.111 -2.698 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.391 3.253 -2.070 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 0.374 -0.448 3.792 1.00 0.00 ZN HETATM 126 O HOH A 201 0.415 -0.211 5.878 1.00 0.00 O HETATM 127 H1 HOH A 201 0.968 -0.891 6.267 1.00 0.00 H HETATM 128 H2 HOH A 201 -0.459 -0.378 6.236 1.00 0.00 H ENDMDL MODEL 6 ATOM 1 N MET A 1 -2.610 2.468 -0.911 1.00 0.00 N ATOM 2 CA MET A 1 -1.758 2.561 0.292 1.00 0.00 C ATOM 3 C MET A 1 -0.435 3.189 -0.116 1.00 0.00 C ATOM 4 O MET A 1 0.281 2.673 -0.946 1.00 0.00 O ATOM 5 CB MET A 1 -1.504 1.122 0.783 1.00 0.00 C ATOM 6 CG MET A 1 -2.356 0.775 2.002 1.00 0.00 C ATOM 7 SD MET A 1 -1.566 1.352 3.543 1.00 0.00 S ATOM 8 CE MET A 1 -0.904 2.931 2.968 1.00 0.00 C ATOM 9 H1 MET A 1 -2.332 1.906 -1.661 1.00 0.00 H ATOM 10 HA MET A 1 -2.242 3.142 1.056 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.745 0.432 -0.004 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.463 1.016 1.047 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.330 1.215 1.894 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.458 -0.299 2.048 1.00 0.00 H ATOM 15 HE1 MET A 1 -0.280 2.762 2.106 1.00 0.00 H ATOM 16 HE2 MET A 1 -0.317 3.380 3.758 1.00 0.00 H ATOM 17 HE3 MET A 1 -1.712 3.592 2.708 1.00 0.00 H ATOM 18 N ASP A 2 -0.078 4.272 0.470 1.00 0.00 N ATOM 19 CA ASP A 2 1.242 4.868 0.129 1.00 0.00 C ATOM 20 C ASP A 2 2.305 3.985 0.791 1.00 0.00 C ATOM 21 O ASP A 2 3.067 4.427 1.628 1.00 0.00 O ATOM 22 CB ASP A 2 1.230 6.270 0.741 1.00 0.00 C ATOM 23 CG ASP A 2 2.067 7.212 -0.126 1.00 0.00 C ATOM 24 OD1 ASP A 2 2.879 6.717 -0.891 1.00 0.00 O ATOM 25 OD2 ASP A 2 1.883 8.412 -0.009 1.00 0.00 O ATOM 26 H ASP A 2 -0.653 4.670 1.148 1.00 0.00 H ATOM 27 HA ASP A 2 1.383 4.913 -0.940 1.00 0.00 H ATOM 28 HB2 ASP A 2 0.212 6.633 0.789 1.00 0.00 H ATOM 29 HB3 ASP A 2 1.648 6.232 1.737 1.00 0.00 H ATOM 30 N CYS A 3 2.310 2.713 0.461 1.00 0.00 N ATOM 31 CA CYS A 3 3.268 1.766 1.116 1.00 0.00 C ATOM 32 C CYS A 3 4.271 1.163 0.121 1.00 0.00 C ATOM 33 O CYS A 3 4.486 1.658 -0.968 1.00 0.00 O ATOM 34 CB CYS A 3 2.357 0.652 1.647 1.00 0.00 C ATOM 35 SG CYS A 3 2.426 0.552 3.449 1.00 0.00 S ATOM 36 H CYS A 3 1.649 2.371 -0.189 1.00 0.00 H ATOM 37 HA CYS A 3 3.780 2.239 1.934 1.00 0.00 H ATOM 38 HB2 CYS A 3 1.345 0.859 1.356 1.00 0.00 H ATOM 39 HB3 CYS A 3 2.664 -0.292 1.224 1.00 0.00 H ATOM 40 N SER A 4 4.859 0.066 0.516 1.00 0.00 N ATOM 41 CA SER A 4 5.837 -0.669 -0.339 1.00 0.00 C ATOM 42 C SER A 4 5.613 -2.157 -0.074 1.00 0.00 C ATOM 43 O SER A 4 6.192 -2.734 0.826 1.00 0.00 O ATOM 44 CB SER A 4 7.218 -0.224 0.143 1.00 0.00 C ATOM 45 OG SER A 4 7.109 1.045 0.773 1.00 0.00 O ATOM 46 H SER A 4 4.636 -0.299 1.398 1.00 0.00 H ATOM 47 HA SER A 4 5.696 -0.432 -1.383 1.00 0.00 H ATOM 48 HB2 SER A 4 7.602 -0.939 0.851 1.00 0.00 H ATOM 49 HB3 SER A 4 7.891 -0.161 -0.703 1.00 0.00 H ATOM 50 HG SER A 4 7.526 0.986 1.635 1.00 0.00 H ATOM 51 N GLY A 5 4.706 -2.757 -0.791 1.00 0.00 N ATOM 52 CA GLY A 5 4.359 -4.180 -0.518 1.00 0.00 C ATOM 53 C GLY A 5 3.206 -4.107 0.472 1.00 0.00 C ATOM 54 O GLY A 5 3.260 -4.622 1.568 1.00 0.00 O ATOM 55 H GLY A 5 4.203 -2.251 -1.463 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.047 -4.671 -1.431 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.193 -4.694 -0.073 1.00 0.00 H ATOM 58 N CYS A 6 2.200 -3.386 0.065 1.00 0.00 N ATOM 59 CA CYS A 6 0.992 -3.100 0.892 1.00 0.00 C ATOM 60 C CYS A 6 0.417 -1.797 0.373 1.00 0.00 C ATOM 61 O CYS A 6 -0.696 -1.424 0.657 1.00 0.00 O ATOM 62 CB CYS A 6 1.478 -2.863 2.297 1.00 0.00 C ATOM 63 SG CYS A 6 0.092 -2.333 3.335 1.00 0.00 S ATOM 64 H CYS A 6 2.257 -2.979 -0.821 1.00 0.00 H ATOM 65 HA CYS A 6 0.274 -3.903 0.849 1.00 0.00 H ATOM 66 HB2 CYS A 6 1.886 -3.769 2.682 1.00 0.00 H ATOM 67 HB3 CYS A 6 2.226 -2.090 2.271 1.00 0.00 H ATOM 68 N SER A 7 1.199 -1.092 -0.395 1.00 0.00 N ATOM 69 CA SER A 7 0.729 0.165 -0.961 1.00 0.00 C ATOM 70 C SER A 7 -0.550 -0.089 -1.719 1.00 0.00 C ATOM 71 O SER A 7 -1.270 0.833 -2.034 1.00 0.00 O ATOM 72 CB SER A 7 1.824 0.601 -1.915 1.00 0.00 C ATOM 73 OG SER A 7 1.247 1.296 -3.011 1.00 0.00 O ATOM 74 H SER A 7 2.093 -1.390 -0.596 1.00 0.00 H ATOM 75 HA SER A 7 0.594 0.885 -0.202 1.00 0.00 H ATOM 76 HB2 SER A 7 2.503 1.251 -1.400 1.00 0.00 H ATOM 77 HB3 SER A 7 2.353 -0.273 -2.265 1.00 0.00 H ATOM 78 HG SER A 7 1.197 0.690 -3.753 1.00 0.00 H ATOM 79 N ARG A 8 -0.845 -1.341 -1.985 1.00 0.00 N ATOM 80 CA ARG A 8 -2.094 -1.685 -2.722 1.00 0.00 C ATOM 81 C ARG A 8 -2.379 -0.576 -3.743 1.00 0.00 C ATOM 82 O ARG A 8 -1.484 0.157 -4.116 1.00 0.00 O ATOM 83 CB ARG A 8 -3.174 -1.753 -1.630 1.00 0.00 C ATOM 84 CG ARG A 8 -2.690 -2.623 -0.475 1.00 0.00 C ATOM 85 CD ARG A 8 -3.164 -2.028 0.838 1.00 0.00 C ATOM 86 NE ARG A 8 -4.378 -2.809 1.204 1.00 0.00 N ATOM 87 CZ ARG A 8 -5.204 -2.348 2.104 1.00 0.00 C ATOM 88 NH1 ARG A 8 -5.568 -1.095 2.075 1.00 0.00 N ATOM 89 NH2 ARG A 8 -5.664 -3.139 3.033 1.00 0.00 N ATOM 90 H ARG A 8 -0.249 -2.055 -1.682 1.00 0.00 H ATOM 91 HA ARG A 8 -1.996 -2.640 -3.214 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.388 -0.757 -1.271 1.00 0.00 H ATOM 93 HB3 ARG A 8 -4.070 -2.188 -2.028 1.00 0.00 H ATOM 94 HG2 ARG A 8 -3.099 -3.610 -0.580 1.00 0.00 H ATOM 95 HG3 ARG A 8 -1.619 -2.674 -0.482 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.397 -2.136 1.595 1.00 0.00 H ATOM 97 HD3 ARG A 8 -3.417 -0.990 0.699 1.00 0.00 H ATOM 98 HE ARG A 8 -4.557 -3.669 0.770 1.00 0.00 H ATOM 99 HH11 ARG A 8 -5.214 -0.488 1.363 1.00 0.00 H ATOM 100 HH12 ARG A 8 -6.200 -0.742 2.763 1.00 0.00 H ATOM 101 HH21 ARG A 8 -5.386 -4.099 3.057 1.00 0.00 H ATOM 102 HH22 ARG A 8 -6.297 -2.786 3.723 1.00 0.00 H ATOM 103 N PRO A 9 -3.595 -0.459 -4.155 1.00 0.00 N ATOM 104 CA PRO A 9 -3.945 0.605 -5.091 1.00 0.00 C ATOM 105 C PRO A 9 -4.417 1.836 -4.324 1.00 0.00 C ATOM 106 O PRO A 9 -5.077 2.705 -4.859 1.00 0.00 O ATOM 107 CB PRO A 9 -5.091 0.005 -5.869 1.00 0.00 C ATOM 108 CG PRO A 9 -5.705 -1.030 -4.968 1.00 0.00 C ATOM 109 CD PRO A 9 -4.738 -1.294 -3.842 1.00 0.00 C ATOM 110 HA PRO A 9 -3.116 0.837 -5.728 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.812 0.772 -6.099 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.720 -0.461 -6.762 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.641 -0.659 -4.571 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.875 -1.943 -5.521 1.00 0.00 H ATOM 115 HD2 PRO A 9 -5.164 -1.006 -2.891 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.437 -2.333 -3.827 1.00 0.00 H ATOM 117 N GLY A 10 -4.093 1.904 -3.071 1.00 0.00 N ATOM 118 CA GLY A 10 -4.531 3.071 -2.252 1.00 0.00 C ATOM 119 C GLY A 10 -3.702 3.168 -0.978 1.00 0.00 C ATOM 120 O GLY A 10 -4.034 3.899 -0.066 1.00 0.00 O ATOM 121 H GLY A 10 -3.567 1.181 -2.673 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.404 3.979 -2.824 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.569 2.956 -1.988 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 0.476 -0.291 4.214 1.00 0.00 ZN HETATM 126 O HOH A 201 0.571 -0.451 6.306 1.00 0.00 O HETATM 127 H1 HOH A 201 0.656 -1.376 6.553 1.00 0.00 H HETATM 128 H2 HOH A 201 -0.266 -0.176 6.687 1.00 0.00 H ENDMDL MODEL 7 ATOM 1 N MET A 1 -2.613 2.412 -0.527 1.00 0.00 N ATOM 2 CA MET A 1 -1.838 2.337 0.754 1.00 0.00 C ATOM 3 C MET A 1 -0.644 3.300 0.731 1.00 0.00 C ATOM 4 O MET A 1 -0.208 3.779 1.759 1.00 0.00 O ATOM 5 CB MET A 1 -1.383 0.886 0.859 1.00 0.00 C ATOM 6 CG MET A 1 -2.510 0.034 1.450 1.00 0.00 C ATOM 7 SD MET A 1 -2.141 -0.459 3.159 1.00 0.00 S ATOM 8 CE MET A 1 -2.693 -2.176 3.031 1.00 0.00 C ATOM 9 H1 MET A 1 -2.196 2.169 -1.393 1.00 0.00 H ATOM 10 HA MET A 1 -2.483 2.573 1.586 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.155 0.524 -0.122 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.506 0.810 1.479 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.425 0.607 1.440 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.643 -0.849 0.844 1.00 0.00 H ATOM 15 HE1 MET A 1 -2.281 -2.748 3.851 1.00 0.00 H ATOM 16 HE2 MET A 1 -2.360 -2.592 2.091 1.00 0.00 H ATOM 17 HE3 MET A 1 -3.769 -2.213 3.076 1.00 0.00 H ATOM 18 N ASP A 2 -0.109 3.586 -0.427 1.00 0.00 N ATOM 19 CA ASP A 2 1.059 4.516 -0.503 1.00 0.00 C ATOM 20 C ASP A 2 2.228 3.903 0.259 1.00 0.00 C ATOM 21 O ASP A 2 3.001 4.577 0.909 1.00 0.00 O ATOM 22 CB ASP A 2 0.591 5.813 0.162 1.00 0.00 C ATOM 23 CG ASP A 2 0.209 6.829 -0.917 1.00 0.00 C ATOM 24 OD1 ASP A 2 1.093 7.259 -1.638 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.962 7.160 -1.002 1.00 0.00 O ATOM 26 H ASP A 2 -0.464 3.179 -1.242 1.00 0.00 H ATOM 27 HA ASP A 2 1.330 4.700 -1.531 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.269 5.612 0.785 1.00 0.00 H ATOM 29 HB3 ASP A 2 1.391 6.217 0.766 1.00 0.00 H ATOM 30 N CYS A 3 2.333 2.614 0.184 1.00 0.00 N ATOM 31 CA CYS A 3 3.421 1.886 0.901 1.00 0.00 C ATOM 32 C CYS A 3 4.397 1.232 -0.087 1.00 0.00 C ATOM 33 O CYS A 3 4.619 1.709 -1.181 1.00 0.00 O ATOM 34 CB CYS A 3 2.691 0.776 1.641 1.00 0.00 C ATOM 35 SG CYS A 3 1.459 1.422 2.783 1.00 0.00 S ATOM 36 H CYS A 3 1.674 2.113 -0.343 1.00 0.00 H ATOM 37 HA CYS A 3 3.933 2.529 1.596 1.00 0.00 H ATOM 38 HB2 CYS A 3 2.192 0.145 0.921 1.00 0.00 H ATOM 39 HB3 CYS A 3 3.401 0.187 2.193 1.00 0.00 H ATOM 40 N SER A 4 4.945 0.105 0.304 1.00 0.00 N ATOM 41 CA SER A 4 5.877 -0.657 -0.573 1.00 0.00 C ATOM 42 C SER A 4 5.445 -2.133 -0.584 1.00 0.00 C ATOM 43 O SER A 4 5.531 -2.812 -1.588 1.00 0.00 O ATOM 44 CB SER A 4 7.255 -0.496 0.068 1.00 0.00 C ATOM 45 OG SER A 4 8.238 -0.376 -0.954 1.00 0.00 O ATOM 46 H SER A 4 4.722 -0.256 1.179 1.00 0.00 H ATOM 47 HA SER A 4 5.875 -0.251 -1.573 1.00 0.00 H ATOM 48 HB2 SER A 4 7.270 0.390 0.680 1.00 0.00 H ATOM 49 HB3 SER A 4 7.467 -1.360 0.685 1.00 0.00 H ATOM 50 HG SER A 4 8.694 -1.217 -1.027 1.00 0.00 H ATOM 51 N GLY A 5 4.959 -2.624 0.533 1.00 0.00 N ATOM 52 CA GLY A 5 4.488 -4.041 0.609 1.00 0.00 C ATOM 53 C GLY A 5 3.039 -4.037 1.089 1.00 0.00 C ATOM 54 O GLY A 5 2.704 -4.549 2.138 1.00 0.00 O ATOM 55 H GLY A 5 4.885 -2.051 1.322 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.544 -4.490 -0.373 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.096 -4.591 1.303 1.00 0.00 H ATOM 58 N CYS A 6 2.210 -3.437 0.292 1.00 0.00 N ATOM 59 CA CYS A 6 0.758 -3.283 0.550 1.00 0.00 C ATOM 60 C CYS A 6 0.363 -1.913 0.079 1.00 0.00 C ATOM 61 O CYS A 6 -0.698 -1.436 0.394 1.00 0.00 O ATOM 62 CB CYS A 6 0.486 -3.349 2.040 1.00 0.00 C ATOM 63 SG CYS A 6 1.586 -2.221 2.944 1.00 0.00 S ATOM 64 H CYS A 6 2.560 -3.063 -0.528 1.00 0.00 H ATOM 65 HA CYS A 6 0.195 -4.042 0.029 1.00 0.00 H ATOM 66 HB2 CYS A 6 -0.540 -3.056 2.205 1.00 0.00 H ATOM 67 HB3 CYS A 6 0.634 -4.356 2.374 1.00 0.00 H ATOM 68 N SER A 7 1.203 -1.263 -0.669 1.00 0.00 N ATOM 69 CA SER A 7 0.839 0.068 -1.144 1.00 0.00 C ATOM 70 C SER A 7 -0.404 -0.044 -1.997 1.00 0.00 C ATOM 71 O SER A 7 -1.084 0.936 -2.211 1.00 0.00 O ATOM 72 CB SER A 7 2.012 0.522 -1.983 1.00 0.00 C ATOM 73 OG SER A 7 1.991 1.937 -2.109 1.00 0.00 O ATOM 74 H SER A 7 2.063 -1.646 -0.917 1.00 0.00 H ATOM 75 HA SER A 7 0.682 0.726 -0.317 1.00 0.00 H ATOM 76 HB2 SER A 7 2.921 0.217 -1.507 1.00 0.00 H ATOM 77 HB3 SER A 7 1.941 0.063 -2.955 1.00 0.00 H ATOM 78 HG SER A 7 2.738 2.199 -2.651 1.00 0.00 H ATOM 79 N ARG A 8 -0.727 -1.251 -2.423 1.00 0.00 N ATOM 80 CA ARG A 8 -1.949 -1.482 -3.239 1.00 0.00 C ATOM 81 C ARG A 8 -2.295 -0.218 -4.017 1.00 0.00 C ATOM 82 O ARG A 8 -1.439 0.604 -4.273 1.00 0.00 O ATOM 83 CB ARG A 8 -2.994 -1.835 -2.179 1.00 0.00 C ATOM 84 CG ARG A 8 -2.419 -2.949 -1.341 1.00 0.00 C ATOM 85 CD ARG A 8 -2.148 -4.115 -2.262 1.00 0.00 C ATOM 86 NE ARG A 8 -2.098 -5.295 -1.366 1.00 0.00 N ATOM 87 CZ ARG A 8 -1.804 -6.473 -1.846 1.00 0.00 C ATOM 88 NH1 ARG A 8 -1.313 -6.582 -3.050 1.00 0.00 N ATOM 89 NH2 ARG A 8 -2.000 -7.542 -1.123 1.00 0.00 N ATOM 90 H ARG A 8 -0.181 -2.018 -2.159 1.00 0.00 H ATOM 91 HA ARG A 8 -1.806 -2.314 -3.909 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.207 -0.974 -1.566 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.894 -2.189 -2.640 1.00 0.00 H ATOM 94 HG2 ARG A 8 -1.500 -2.629 -0.903 1.00 0.00 H ATOM 95 HG3 ARG A 8 -3.114 -3.240 -0.576 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.949 -4.201 -2.983 1.00 0.00 H ATOM 97 HD3 ARG A 8 -1.201 -3.972 -2.758 1.00 0.00 H ATOM 98 HE ARG A 8 -2.284 -5.185 -0.410 1.00 0.00 H ATOM 99 HH11 ARG A 8 -1.162 -5.764 -3.604 1.00 0.00 H ATOM 100 HH12 ARG A 8 -1.088 -7.484 -3.418 1.00 0.00 H ATOM 101 HH21 ARG A 8 -2.377 -7.459 -0.200 1.00 0.00 H ATOM 102 HH22 ARG A 8 -1.775 -8.443 -1.493 1.00 0.00 H ATOM 103 N PRO A 9 -3.521 -0.073 -4.366 1.00 0.00 N ATOM 104 CA PRO A 9 -3.922 1.131 -5.060 1.00 0.00 C ATOM 105 C PRO A 9 -4.429 2.141 -4.049 1.00 0.00 C ATOM 106 O PRO A 9 -5.095 3.099 -4.390 1.00 0.00 O ATOM 107 CB PRO A 9 -5.053 0.655 -5.939 1.00 0.00 C ATOM 108 CG PRO A 9 -5.617 -0.559 -5.255 1.00 0.00 C ATOM 109 CD PRO A 9 -4.630 -0.992 -4.200 1.00 0.00 C ATOM 110 HA PRO A 9 -3.108 1.527 -5.632 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.804 1.425 -6.010 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.677 0.389 -6.907 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.565 -0.313 -4.794 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.752 -1.356 -5.974 1.00 0.00 H ATOM 115 HD2 PRO A 9 -5.055 -0.899 -3.209 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.296 -2.006 -4.379 1.00 0.00 H ATOM 117 N GLY A 10 -4.138 1.929 -2.803 1.00 0.00 N ATOM 118 CA GLY A 10 -4.643 2.894 -1.782 1.00 0.00 C ATOM 119 C GLY A 10 -3.850 2.807 -0.479 1.00 0.00 C ATOM 120 O GLY A 10 -4.365 3.107 0.580 1.00 0.00 O ATOM 121 H GLY A 10 -3.602 1.131 -2.545 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.562 3.897 -2.176 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.681 2.679 -1.577 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 0.508 -0.387 3.718 1.00 0.00 ZN HETATM 126 O HOH A 201 0.758 -0.283 5.801 1.00 0.00 O HETATM 127 H1 HOH A 201 1.600 0.134 6.002 1.00 0.00 H HETATM 128 H2 HOH A 201 0.101 0.310 6.174 1.00 0.00 H ENDMDL MODEL 8 ATOM 1 N MET A 1 -2.604 2.450 -0.514 1.00 0.00 N ATOM 2 CA MET A 1 -1.821 2.417 0.763 1.00 0.00 C ATOM 3 C MET A 1 -0.611 3.361 0.687 1.00 0.00 C ATOM 4 O MET A 1 -0.190 3.916 1.683 1.00 0.00 O ATOM 5 CB MET A 1 -1.399 0.957 0.940 1.00 0.00 C ATOM 6 CG MET A 1 -2.576 0.152 1.488 1.00 0.00 C ATOM 7 SD MET A 1 -2.171 -0.649 3.073 1.00 0.00 S ATOM 8 CE MET A 1 -3.107 0.475 4.139 1.00 0.00 C ATOM 9 H1 MET A 1 -2.174 2.249 -1.384 1.00 0.00 H ATOM 10 HA MET A 1 -2.457 2.707 1.586 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.124 0.559 -0.011 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.567 0.887 1.613 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.416 0.813 1.636 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.848 -0.606 0.767 1.00 0.00 H ATOM 15 HE1 MET A 1 -3.193 1.439 3.656 1.00 0.00 H ATOM 16 HE2 MET A 1 -2.595 0.584 5.085 1.00 0.00 H ATOM 17 HE3 MET A 1 -4.093 0.072 4.310 1.00 0.00 H ATOM 18 N ASP A 2 -0.053 3.558 -0.478 1.00 0.00 N ATOM 19 CA ASP A 2 1.121 4.479 -0.600 1.00 0.00 C ATOM 20 C ASP A 2 2.319 3.860 0.130 1.00 0.00 C ATOM 21 O ASP A 2 3.247 4.530 0.540 1.00 0.00 O ATOM 22 CB ASP A 2 0.646 5.805 0.036 1.00 0.00 C ATOM 23 CG ASP A 2 1.422 6.123 1.322 1.00 0.00 C ATOM 24 OD1 ASP A 2 2.520 6.643 1.214 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.901 5.844 2.390 1.00 0.00 O ATOM 26 H ASP A 2 -0.402 3.103 -1.270 1.00 0.00 H ATOM 27 HA ASP A 2 1.363 4.636 -1.640 1.00 0.00 H ATOM 28 HB2 ASP A 2 0.793 6.608 -0.672 1.00 0.00 H ATOM 29 HB3 ASP A 2 -0.407 5.725 0.270 1.00 0.00 H ATOM 30 N CYS A 3 2.280 2.575 0.285 1.00 0.00 N ATOM 31 CA CYS A 3 3.374 1.844 0.984 1.00 0.00 C ATOM 32 C CYS A 3 4.352 1.220 -0.021 1.00 0.00 C ATOM 33 O CYS A 3 4.546 1.705 -1.118 1.00 0.00 O ATOM 34 CB CYS A 3 2.659 0.708 1.698 1.00 0.00 C ATOM 35 SG CYS A 3 1.428 1.314 2.862 1.00 0.00 S ATOM 36 H CYS A 3 1.512 2.082 -0.061 1.00 0.00 H ATOM 37 HA CYS A 3 3.883 2.474 1.693 1.00 0.00 H ATOM 38 HB2 CYS A 3 2.162 0.092 0.963 1.00 0.00 H ATOM 39 HB3 CYS A 3 3.377 0.112 2.230 1.00 0.00 H ATOM 40 N SER A 4 4.938 0.112 0.361 1.00 0.00 N ATOM 41 CA SER A 4 5.876 -0.618 -0.534 1.00 0.00 C ATOM 42 C SER A 4 5.470 -2.101 -0.574 1.00 0.00 C ATOM 43 O SER A 4 5.619 -2.771 -1.577 1.00 0.00 O ATOM 44 CB SER A 4 7.255 -0.449 0.103 1.00 0.00 C ATOM 45 OG SER A 4 7.439 -1.447 1.098 1.00 0.00 O ATOM 46 H SER A 4 4.740 -0.256 1.241 1.00 0.00 H ATOM 47 HA SER A 4 5.861 -0.192 -1.524 1.00 0.00 H ATOM 48 HB2 SER A 4 8.017 -0.557 -0.651 1.00 0.00 H ATOM 49 HB3 SER A 4 7.327 0.536 0.546 1.00 0.00 H ATOM 50 HG SER A 4 8.360 -1.433 1.366 1.00 0.00 H ATOM 51 N GLY A 5 4.934 -2.605 0.513 1.00 0.00 N ATOM 52 CA GLY A 5 4.486 -4.030 0.556 1.00 0.00 C ATOM 53 C GLY A 5 3.035 -4.060 1.022 1.00 0.00 C ATOM 54 O GLY A 5 2.689 -4.644 2.030 1.00 0.00 O ATOM 55 H GLY A 5 4.810 -2.040 1.300 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.555 -4.455 -0.435 1.00 0.00 H ATOM 57 HA3 GLY A 5 5.096 -4.583 1.241 1.00 0.00 H ATOM 58 N CYS A 6 2.217 -3.411 0.260 1.00 0.00 N ATOM 59 CA CYS A 6 0.760 -3.281 0.509 1.00 0.00 C ATOM 60 C CYS A 6 0.358 -1.897 0.088 1.00 0.00 C ATOM 61 O CYS A 6 -0.689 -1.413 0.454 1.00 0.00 O ATOM 62 CB CYS A 6 0.479 -3.424 1.989 1.00 0.00 C ATOM 63 SG CYS A 6 1.567 -2.336 2.951 1.00 0.00 S ATOM 64 H CYS A 6 2.577 -2.979 -0.525 1.00 0.00 H ATOM 65 HA CYS A 6 0.213 -4.022 -0.054 1.00 0.00 H ATOM 66 HB2 CYS A 6 -0.550 -3.144 2.160 1.00 0.00 H ATOM 67 HB3 CYS A 6 0.630 -4.445 2.273 1.00 0.00 H ATOM 68 N SER A 7 1.172 -1.248 -0.684 1.00 0.00 N ATOM 69 CA SER A 7 0.801 0.087 -1.127 1.00 0.00 C ATOM 70 C SER A 7 -0.448 -0.032 -1.958 1.00 0.00 C ATOM 71 O SER A 7 -1.164 0.932 -2.135 1.00 0.00 O ATOM 72 CB SER A 7 1.961 0.557 -1.971 1.00 0.00 C ATOM 73 OG SER A 7 1.474 1.139 -3.175 1.00 0.00 O ATOM 74 H SER A 7 2.013 -1.641 -0.984 1.00 0.00 H ATOM 75 HA SER A 7 0.649 0.730 -0.287 1.00 0.00 H ATOM 76 HB2 SER A 7 2.519 1.286 -1.428 1.00 0.00 H ATOM 77 HB3 SER A 7 2.590 -0.291 -2.197 1.00 0.00 H ATOM 78 HG SER A 7 2.212 1.555 -3.623 1.00 0.00 H ATOM 79 N ARG A 8 -0.729 -1.232 -2.418 1.00 0.00 N ATOM 80 CA ARG A 8 -1.949 -1.476 -3.228 1.00 0.00 C ATOM 81 C ARG A 8 -2.283 -0.212 -4.011 1.00 0.00 C ATOM 82 O ARG A 8 -1.427 0.619 -4.240 1.00 0.00 O ATOM 83 CB ARG A 8 -3.004 -1.807 -2.169 1.00 0.00 C ATOM 84 CG ARG A 8 -2.441 -2.884 -1.267 1.00 0.00 C ATOM 85 CD ARG A 8 -2.323 -4.151 -2.080 1.00 0.00 C ATOM 86 NE ARG A 8 -2.497 -5.257 -1.100 1.00 0.00 N ATOM 87 CZ ARG A 8 -2.513 -6.497 -1.506 1.00 0.00 C ATOM 88 NH1 ARG A 8 -2.646 -6.765 -2.775 1.00 0.00 N ATOM 89 NH2 ARG A 8 -2.393 -7.468 -0.642 1.00 0.00 N ATOM 90 H ARG A 8 -0.148 -1.986 -2.188 1.00 0.00 H ATOM 91 HA ARG A 8 -1.806 -2.313 -3.892 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.240 -0.925 -1.595 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.892 -2.187 -2.635 1.00 0.00 H ATOM 94 HG2 ARG A 8 -1.470 -2.597 -0.929 1.00 0.00 H ATOM 95 HG3 ARG A 8 -3.091 -3.047 -0.429 1.00 0.00 H ATOM 96 HD2 ARG A 8 -3.099 -4.168 -2.833 1.00 0.00 H ATOM 97 HD3 ARG A 8 -1.349 -4.199 -2.538 1.00 0.00 H ATOM 98 HE ARG A 8 -2.601 -5.052 -0.147 1.00 0.00 H ATOM 99 HH11 ARG A 8 -2.737 -6.022 -3.437 1.00 0.00 H ATOM 100 HH12 ARG A 8 -2.658 -7.716 -3.086 1.00 0.00 H ATOM 101 HH21 ARG A 8 -2.291 -7.261 0.332 1.00 0.00 H ATOM 102 HH22 ARG A 8 -2.405 -8.418 -0.953 1.00 0.00 H ATOM 103 N PRO A 9 -3.500 -0.071 -4.374 1.00 0.00 N ATOM 104 CA PRO A 9 -3.900 1.136 -5.058 1.00 0.00 C ATOM 105 C PRO A 9 -4.435 2.115 -4.033 1.00 0.00 C ATOM 106 O PRO A 9 -5.129 3.059 -4.357 1.00 0.00 O ATOM 107 CB PRO A 9 -5.009 0.659 -5.964 1.00 0.00 C ATOM 108 CG PRO A 9 -5.569 -0.574 -5.310 1.00 0.00 C ATOM 109 CD PRO A 9 -4.601 -1.002 -4.233 1.00 0.00 C ATOM 110 HA PRO A 9 -3.081 1.553 -5.608 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.768 1.422 -6.034 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.612 0.415 -6.929 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.534 -0.351 -4.872 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.669 -1.364 -6.040 1.00 0.00 H ATOM 115 HD2 PRO A 9 -5.047 -0.913 -3.251 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.251 -2.012 -4.405 1.00 0.00 H ATOM 117 N GLY A 10 -4.140 1.886 -2.787 1.00 0.00 N ATOM 118 CA GLY A 10 -4.676 2.818 -1.751 1.00 0.00 C ATOM 119 C GLY A 10 -3.866 2.761 -0.456 1.00 0.00 C ATOM 120 O GLY A 10 -4.390 3.016 0.610 1.00 0.00 O ATOM 121 H GLY A 10 -3.584 1.096 -2.543 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.649 3.826 -2.138 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.700 2.551 -1.536 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 0.457 -0.522 3.722 1.00 0.00 ZN HETATM 126 O HOH A 201 0.633 -0.465 5.814 1.00 0.00 O HETATM 127 H1 HOH A 201 1.469 -0.856 6.076 1.00 0.00 H HETATM 128 H2 HOH A 201 -0.032 -1.036 6.206 1.00 0.00 H ENDMDL MODEL 9 ATOM 1 N MET A 1 -2.539 2.327 -0.391 1.00 0.00 N ATOM 2 CA MET A 1 -1.645 2.379 0.809 1.00 0.00 C ATOM 3 C MET A 1 -0.497 3.368 0.581 1.00 0.00 C ATOM 4 O MET A 1 0.051 3.918 1.516 1.00 0.00 O ATOM 5 CB MET A 1 -1.113 0.958 0.981 1.00 0.00 C ATOM 6 CG MET A 1 -2.107 0.124 1.788 1.00 0.00 C ATOM 7 SD MET A 1 -1.427 -0.245 3.430 1.00 0.00 S ATOM 8 CE MET A 1 -2.518 -1.635 3.820 1.00 0.00 C ATOM 9 H1 MET A 1 -2.172 2.135 -1.285 1.00 0.00 H ATOM 10 HA MET A 1 -2.212 2.663 1.681 1.00 0.00 H ATOM 11 HB2 MET A 1 -0.993 0.516 0.015 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.162 0.983 1.493 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.026 0.676 1.896 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.311 -0.800 1.265 1.00 0.00 H ATOM 15 HE1 MET A 1 -3.513 -1.264 4.023 1.00 0.00 H ATOM 16 HE2 MET A 1 -2.138 -2.158 4.687 1.00 0.00 H ATOM 17 HE3 MET A 1 -2.553 -2.312 2.981 1.00 0.00 H ATOM 18 N ASP A 2 -0.120 3.589 -0.648 1.00 0.00 N ATOM 19 CA ASP A 2 1.001 4.532 -0.925 1.00 0.00 C ATOM 20 C ASP A 2 2.226 4.054 -0.161 1.00 0.00 C ATOM 21 O ASP A 2 3.086 4.820 0.224 1.00 0.00 O ATOM 22 CB ASP A 2 0.526 5.891 -0.405 1.00 0.00 C ATOM 23 CG ASP A 2 1.651 6.919 -0.559 1.00 0.00 C ATOM 24 OD1 ASP A 2 1.814 7.429 -1.655 1.00 0.00 O ATOM 25 OD2 ASP A 2 2.327 7.177 0.422 1.00 0.00 O ATOM 26 H ASP A 2 -0.561 3.124 -1.382 1.00 0.00 H ATOM 27 HA ASP A 2 1.205 4.583 -1.984 1.00 0.00 H ATOM 28 HB2 ASP A 2 -0.335 6.212 -0.974 1.00 0.00 H ATOM 29 HB3 ASP A 2 0.260 5.806 0.638 1.00 0.00 H ATOM 30 N CYS A 3 2.282 2.778 0.072 1.00 0.00 N ATOM 31 CA CYS A 3 3.416 2.194 0.831 1.00 0.00 C ATOM 32 C CYS A 3 4.239 1.248 -0.068 1.00 0.00 C ATOM 33 O CYS A 3 4.418 1.519 -1.239 1.00 0.00 O ATOM 34 CB CYS A 3 2.733 1.489 2.007 1.00 0.00 C ATOM 35 SG CYS A 3 2.200 -0.171 1.548 1.00 0.00 S ATOM 36 H CYS A 3 1.558 2.203 -0.242 1.00 0.00 H ATOM 37 HA CYS A 3 4.049 2.979 1.202 1.00 0.00 H ATOM 38 HB2 CYS A 3 3.414 1.429 2.833 1.00 0.00 H ATOM 39 HB3 CYS A 3 1.865 2.068 2.300 1.00 0.00 H ATOM 40 N SER A 4 4.783 0.170 0.449 1.00 0.00 N ATOM 41 CA SER A 4 5.618 -0.705 -0.435 1.00 0.00 C ATOM 42 C SER A 4 5.255 -2.199 -0.347 1.00 0.00 C ATOM 43 O SER A 4 5.481 -2.940 -1.284 1.00 0.00 O ATOM 44 CB SER A 4 7.047 -0.488 0.057 1.00 0.00 C ATOM 45 OG SER A 4 7.030 -0.265 1.461 1.00 0.00 O ATOM 46 H SER A 4 4.675 -0.039 1.400 1.00 0.00 H ATOM 47 HA SER A 4 5.544 -0.370 -1.457 1.00 0.00 H ATOM 48 HB2 SER A 4 7.638 -1.363 -0.155 1.00 0.00 H ATOM 49 HB3 SER A 4 7.475 0.366 -0.450 1.00 0.00 H ATOM 50 HG SER A 4 7.725 0.363 1.670 1.00 0.00 H ATOM 51 N GLY A 5 4.722 -2.670 0.749 1.00 0.00 N ATOM 52 CA GLY A 5 4.400 -4.133 0.828 1.00 0.00 C ATOM 53 C GLY A 5 2.899 -4.348 0.847 1.00 0.00 C ATOM 54 O GLY A 5 2.388 -5.372 1.255 1.00 0.00 O ATOM 55 H GLY A 5 4.551 -2.080 1.512 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.804 -4.620 -0.044 1.00 0.00 H ATOM 57 HA3 GLY A 5 4.829 -4.544 1.714 1.00 0.00 H ATOM 58 N CYS A 6 2.220 -3.381 0.378 1.00 0.00 N ATOM 59 CA CYS A 6 0.762 -3.390 0.279 1.00 0.00 C ATOM 60 C CYS A 6 0.402 -1.972 -0.022 1.00 0.00 C ATOM 61 O CYS A 6 -0.610 -1.466 0.397 1.00 0.00 O ATOM 62 CB CYS A 6 0.153 -3.833 1.606 1.00 0.00 C ATOM 63 SG CYS A 6 1.184 -3.352 3.017 1.00 0.00 S ATOM 64 H CYS A 6 2.690 -2.604 0.050 1.00 0.00 H ATOM 65 HA CYS A 6 0.443 -4.041 -0.521 1.00 0.00 H ATOM 66 HB2 CYS A 6 -0.817 -3.369 1.702 1.00 0.00 H ATOM 67 HB3 CYS A 6 0.035 -4.903 1.589 1.00 0.00 H ATOM 68 N SER A 7 1.236 -1.335 -0.783 1.00 0.00 N ATOM 69 CA SER A 7 0.954 0.054 -1.160 1.00 0.00 C ATOM 70 C SER A 7 -0.289 0.029 -1.988 1.00 0.00 C ATOM 71 O SER A 7 -1.029 0.988 -2.050 1.00 0.00 O ATOM 72 CB SER A 7 2.148 0.487 -1.985 1.00 0.00 C ATOM 73 OG SER A 7 1.833 0.391 -3.368 1.00 0.00 O ATOM 74 H SER A 7 2.039 -1.794 -1.129 1.00 0.00 H ATOM 75 HA SER A 7 0.827 0.675 -0.296 1.00 0.00 H ATOM 76 HB2 SER A 7 2.394 1.502 -1.747 1.00 0.00 H ATOM 77 HB3 SER A 7 2.984 -0.157 -1.751 1.00 0.00 H ATOM 78 HG SER A 7 2.632 0.578 -3.869 1.00 0.00 H ATOM 79 N ARG A 8 -0.532 -1.114 -2.562 1.00 0.00 N ATOM 80 CA ARG A 8 -1.730 -1.335 -3.376 1.00 0.00 C ATOM 81 C ARG A 8 -2.153 -0.026 -4.032 1.00 0.00 C ATOM 82 O ARG A 8 -1.357 0.881 -4.173 1.00 0.00 O ATOM 83 CB ARG A 8 -2.745 -1.824 -2.341 1.00 0.00 C ATOM 84 CG ARG A 8 -2.118 -2.979 -1.594 1.00 0.00 C ATOM 85 CD ARG A 8 -1.884 -4.092 -2.592 1.00 0.00 C ATOM 86 NE ARG A 8 -0.438 -4.423 -2.488 1.00 0.00 N ATOM 87 CZ ARG A 8 -0.038 -5.657 -2.634 1.00 0.00 C ATOM 88 NH1 ARG A 8 -0.715 -6.630 -2.087 1.00 0.00 N ATOM 89 NH2 ARG A 8 1.036 -5.916 -3.328 1.00 0.00 N ATOM 90 H ARG A 8 0.071 -1.859 -2.409 1.00 0.00 H ATOM 91 HA ARG A 8 -1.535 -2.098 -4.102 1.00 0.00 H ATOM 92 HB2 ARG A 8 -2.989 -1.025 -1.656 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.634 -2.175 -2.823 1.00 0.00 H ATOM 94 HG2 ARG A 8 -1.186 -2.672 -1.184 1.00 0.00 H ATOM 95 HG3 ARG A 8 -2.775 -3.320 -0.814 1.00 0.00 H ATOM 96 HD2 ARG A 8 -2.491 -4.938 -2.341 1.00 0.00 H ATOM 97 HD3 ARG A 8 -2.109 -3.737 -3.584 1.00 0.00 H ATOM 98 HE ARG A 8 0.216 -3.714 -2.320 1.00 0.00 H ATOM 99 HH11 ARG A 8 -1.539 -6.430 -1.557 1.00 0.00 H ATOM 100 HH12 ARG A 8 -0.409 -7.575 -2.200 1.00 0.00 H ATOM 101 HH21 ARG A 8 1.553 -5.170 -3.747 1.00 0.00 H ATOM 102 HH22 ARG A 8 1.343 -6.861 -3.441 1.00 0.00 H ATOM 103 N PRO A 9 -3.382 0.063 -4.379 1.00 0.00 N ATOM 104 CA PRO A 9 -3.876 1.300 -4.936 1.00 0.00 C ATOM 105 C PRO A 9 -4.462 2.118 -3.801 1.00 0.00 C ATOM 106 O PRO A 9 -5.211 3.052 -4.012 1.00 0.00 O ATOM 107 CB PRO A 9 -4.963 0.840 -5.878 1.00 0.00 C ATOM 108 CG PRO A 9 -5.424 -0.491 -5.353 1.00 0.00 C ATOM 109 CD PRO A 9 -4.421 -0.950 -4.328 1.00 0.00 C ATOM 110 HA PRO A 9 -3.097 1.830 -5.449 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.776 1.547 -5.861 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.566 0.727 -6.867 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.399 -0.387 -4.895 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.470 -1.207 -6.160 1.00 0.00 H ATOM 115 HD2 PRO A 9 -4.866 -0.984 -3.341 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.006 -1.915 -4.593 1.00 0.00 H ATOM 117 N GLY A 10 -4.152 1.753 -2.586 1.00 0.00 N ATOM 118 CA GLY A 10 -4.742 2.512 -1.444 1.00 0.00 C ATOM 119 C GLY A 10 -3.813 2.548 -0.227 1.00 0.00 C ATOM 120 O GLY A 10 -4.256 2.791 0.878 1.00 0.00 O ATOM 121 H GLY A 10 -3.555 0.967 -2.437 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.941 3.524 -1.762 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.674 2.045 -1.158 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 1.134 -1.120 3.281 1.00 0.00 ZN HETATM 126 O HOH A 201 2.135 -0.616 5.058 1.00 0.00 O HETATM 127 H1 HOH A 201 1.492 -0.435 5.748 1.00 0.00 H HETATM 128 H2 HOH A 201 2.623 -1.378 5.379 1.00 0.00 H ENDMDL MODEL 10 ATOM 1 N MET A 1 -2.566 2.645 -0.713 1.00 0.00 N ATOM 2 CA MET A 1 -1.852 2.707 0.608 1.00 0.00 C ATOM 3 C MET A 1 -0.546 3.506 0.535 1.00 0.00 C ATOM 4 O MET A 1 -0.086 4.032 1.527 1.00 0.00 O ATOM 5 CB MET A 1 -1.542 1.257 0.987 1.00 0.00 C ATOM 6 CG MET A 1 -2.634 0.710 1.911 1.00 0.00 C ATOM 7 SD MET A 1 -2.175 0.942 3.655 1.00 0.00 S ATOM 8 CE MET A 1 -1.660 2.669 3.568 1.00 0.00 C ATOM 9 H1 MET A 1 -2.101 2.356 -1.544 1.00 0.00 H ATOM 10 HA MET A 1 -2.502 3.137 1.351 1.00 0.00 H ATOM 11 HB2 MET A 1 -1.504 0.658 0.095 1.00 0.00 H ATOM 12 HB3 MET A 1 -0.583 1.211 1.491 1.00 0.00 H ATOM 13 HG2 MET A 1 -3.559 1.229 1.713 1.00 0.00 H ATOM 14 HG3 MET A 1 -2.768 -0.344 1.714 1.00 0.00 H ATOM 15 HE1 MET A 1 -2.467 3.268 3.173 1.00 0.00 H ATOM 16 HE2 MET A 1 -0.796 2.748 2.928 1.00 0.00 H ATOM 17 HE3 MET A 1 -1.404 3.019 4.555 1.00 0.00 H ATOM 18 N ASP A 2 0.086 3.566 -0.606 1.00 0.00 N ATOM 19 CA ASP A 2 1.385 4.286 -0.705 1.00 0.00 C ATOM 20 C ASP A 2 2.451 3.535 0.119 1.00 0.00 C ATOM 21 O ASP A 2 3.599 3.931 0.189 1.00 0.00 O ATOM 22 CB ASP A 2 1.121 5.681 -0.151 1.00 0.00 C ATOM 23 CG ASP A 2 -0.119 6.270 -0.824 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.208 6.044 -0.320 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.040 6.937 -1.832 1.00 0.00 O ATOM 26 H ASP A 2 -0.274 3.117 -1.385 1.00 0.00 H ATOM 27 HA ASP A 2 1.694 4.353 -1.737 1.00 0.00 H ATOM 28 HB2 ASP A 2 0.964 5.623 0.913 1.00 0.00 H ATOM 29 HB3 ASP A 2 1.970 6.309 -0.361 1.00 0.00 H ATOM 30 N CYS A 3 2.069 2.423 0.699 1.00 0.00 N ATOM 31 CA CYS A 3 3.014 1.579 1.478 1.00 0.00 C ATOM 32 C CYS A 3 4.110 1.107 0.516 1.00 0.00 C ATOM 33 O CYS A 3 4.447 1.797 -0.425 1.00 0.00 O ATOM 34 CB CYS A 3 2.137 0.393 1.941 1.00 0.00 C ATOM 35 SG CYS A 3 1.875 0.441 3.732 1.00 0.00 S ATOM 36 H CYS A 3 1.163 2.120 0.589 1.00 0.00 H ATOM 37 HA CYS A 3 3.422 2.112 2.320 1.00 0.00 H ATOM 38 HB2 CYS A 3 1.180 0.451 1.451 1.00 0.00 H ATOM 39 HB3 CYS A 3 2.612 -0.536 1.674 1.00 0.00 H ATOM 40 N SER A 4 4.647 -0.064 0.704 1.00 0.00 N ATOM 41 CA SER A 4 5.678 -0.546 -0.255 1.00 0.00 C ATOM 42 C SER A 4 5.181 -1.849 -0.886 1.00 0.00 C ATOM 43 O SER A 4 5.000 -1.949 -2.084 1.00 0.00 O ATOM 44 CB SER A 4 6.940 -0.778 0.572 1.00 0.00 C ATOM 45 OG SER A 4 6.588 -0.896 1.943 1.00 0.00 O ATOM 46 H SER A 4 4.362 -0.631 1.447 1.00 0.00 H ATOM 47 HA SER A 4 5.846 0.203 -1.011 1.00 0.00 H ATOM 48 HB2 SER A 4 7.421 -1.686 0.250 1.00 0.00 H ATOM 49 HB3 SER A 4 7.618 0.055 0.434 1.00 0.00 H ATOM 50 HG SER A 4 7.209 -0.373 2.456 1.00 0.00 H ATOM 51 N GLY A 5 4.902 -2.822 -0.069 1.00 0.00 N ATOM 52 CA GLY A 5 4.346 -4.112 -0.571 1.00 0.00 C ATOM 53 C GLY A 5 2.924 -4.199 -0.031 1.00 0.00 C ATOM 54 O GLY A 5 2.335 -5.254 0.104 1.00 0.00 O ATOM 55 H GLY A 5 5.009 -2.688 0.892 1.00 0.00 H ATOM 56 HA2 GLY A 5 4.337 -4.112 -1.654 1.00 0.00 H ATOM 57 HA3 GLY A 5 4.927 -4.939 -0.200 1.00 0.00 H ATOM 58 N CYS A 6 2.396 -3.054 0.290 1.00 0.00 N ATOM 59 CA CYS A 6 1.046 -2.916 0.843 1.00 0.00 C ATOM 60 C CYS A 6 0.539 -1.546 0.452 1.00 0.00 C ATOM 61 O CYS A 6 -0.488 -1.088 0.911 1.00 0.00 O ATOM 62 CB CYS A 6 1.264 -2.974 2.323 1.00 0.00 C ATOM 63 SG CYS A 6 -0.264 -2.572 3.195 1.00 0.00 S ATOM 64 H CYS A 6 2.909 -2.251 0.169 1.00 0.00 H ATOM 65 HA CYS A 6 0.390 -3.704 0.509 1.00 0.00 H ATOM 66 HB2 CYS A 6 1.583 -3.962 2.581 1.00 0.00 H ATOM 67 HB3 CYS A 6 2.024 -2.256 2.577 1.00 0.00 H ATOM 68 N SER A 7 1.228 -0.905 -0.451 1.00 0.00 N ATOM 69 CA SER A 7 0.749 0.393 -0.927 1.00 0.00 C ATOM 70 C SER A 7 -0.465 0.107 -1.747 1.00 0.00 C ATOM 71 O SER A 7 -1.245 0.988 -2.046 1.00 0.00 O ATOM 72 CB SER A 7 1.866 0.952 -1.788 1.00 0.00 C ATOM 73 OG SER A 7 1.312 1.777 -2.805 1.00 0.00 O ATOM 74 H SER A 7 2.021 -1.307 -0.857 1.00 0.00 H ATOM 75 HA SER A 7 0.509 1.043 -0.118 1.00 0.00 H ATOM 76 HB2 SER A 7 2.529 1.533 -1.181 1.00 0.00 H ATOM 77 HB3 SER A 7 2.407 0.131 -2.230 1.00 0.00 H ATOM 78 HG SER A 7 1.570 1.414 -3.656 1.00 0.00 H ATOM 79 N ARG A 8 -0.656 -1.158 -2.047 1.00 0.00 N ATOM 80 CA ARG A 8 -1.841 -1.581 -2.803 1.00 0.00 C ATOM 81 C ARG A 8 -2.214 -0.474 -3.780 1.00 0.00 C ATOM 82 O ARG A 8 -1.372 0.318 -4.159 1.00 0.00 O ATOM 83 CB ARG A 8 -2.871 -1.772 -1.689 1.00 0.00 C ATOM 84 CG ARG A 8 -2.265 -2.712 -0.662 1.00 0.00 C ATOM 85 CD ARG A 8 -2.246 -4.091 -1.276 1.00 0.00 C ATOM 86 NE ARG A 8 -2.318 -5.041 -0.132 1.00 0.00 N ATOM 87 CZ ARG A 8 -1.589 -6.120 -0.137 1.00 0.00 C ATOM 88 NH1 ARG A 8 -1.381 -6.759 -1.255 1.00 0.00 N ATOM 89 NH2 ARG A 8 -1.068 -6.563 0.974 1.00 0.00 N ATOM 90 H ARG A 8 -0.030 -1.841 -1.715 1.00 0.00 H ATOM 91 HA ARG A 8 -1.653 -2.510 -3.309 1.00 0.00 H ATOM 92 HB2 ARG A 8 -3.107 -0.822 -1.237 1.00 0.00 H ATOM 93 HB3 ARG A 8 -3.762 -2.225 -2.078 1.00 0.00 H ATOM 94 HG2 ARG A 8 -1.260 -2.410 -0.444 1.00 0.00 H ATOM 95 HG3 ARG A 8 -2.850 -2.716 0.237 1.00 0.00 H ATOM 96 HD2 ARG A 8 -3.101 -4.203 -1.928 1.00 0.00 H ATOM 97 HD3 ARG A 8 -1.329 -4.228 -1.825 1.00 0.00 H ATOM 98 HE ARG A 8 -2.914 -4.856 0.624 1.00 0.00 H ATOM 99 HH11 ARG A 8 -1.782 -6.420 -2.106 1.00 0.00 H ATOM 100 HH12 ARG A 8 -0.820 -7.587 -1.262 1.00 0.00 H ATOM 101 HH21 ARG A 8 -1.229 -6.072 1.832 1.00 0.00 H ATOM 102 HH22 ARG A 8 -0.508 -7.391 0.969 1.00 0.00 H ATOM 103 N PRO A 9 -3.442 -0.413 -4.142 1.00 0.00 N ATOM 104 CA PRO A 9 -3.866 0.652 -5.022 1.00 0.00 C ATOM 105 C PRO A 9 -4.350 1.824 -4.192 1.00 0.00 C ATOM 106 O PRO A 9 -4.964 2.745 -4.692 1.00 0.00 O ATOM 107 CB PRO A 9 -5.009 0.026 -5.787 1.00 0.00 C ATOM 108 CG PRO A 9 -5.546 -1.062 -4.900 1.00 0.00 C ATOM 109 CD PRO A 9 -4.530 -1.312 -3.814 1.00 0.00 C ATOM 110 HA PRO A 9 -3.066 0.948 -5.668 1.00 0.00 H ATOM 111 HB2 PRO A 9 -5.772 0.767 -5.970 1.00 0.00 H ATOM 112 HB3 PRO A 9 -4.649 -0.395 -6.705 1.00 0.00 H ATOM 113 HG2 PRO A 9 -6.485 -0.747 -4.462 1.00 0.00 H ATOM 114 HG3 PRO A 9 -5.692 -1.966 -5.474 1.00 0.00 H ATOM 115 HD2 PRO A 9 -4.936 -1.070 -2.839 1.00 0.00 H ATOM 116 HD3 PRO A 9 -4.180 -2.335 -3.836 1.00 0.00 H ATOM 117 N GLY A 10 -4.088 1.799 -2.919 1.00 0.00 N ATOM 118 CA GLY A 10 -4.561 2.933 -2.078 1.00 0.00 C ATOM 119 C GLY A 10 -3.823 2.983 -0.745 1.00 0.00 C ATOM 120 O GLY A 10 -4.395 3.334 0.268 1.00 0.00 O ATOM 121 H GLY A 10 -3.589 1.032 -2.525 1.00 0.00 H ATOM 122 HA2 GLY A 10 -4.394 3.859 -2.609 1.00 0.00 H ATOM 123 HA3 GLY A 10 -5.619 2.819 -1.893 1.00 0.00 H TER 124 GLY A 10 HETATM 125 ZN ZN A 101 -0.055 -0.608 4.282 1.00 0.00 ZN HETATM 126 O HOH A 201 -0.068 -0.971 6.352 1.00 0.00 O HETATM 127 H1 HOH A 201 0.745 -1.415 6.605 1.00 0.00 H HETATM 128 H2 HOH A 201 -0.042 -0.135 6.824 1.00 0.00 H ENDMDL CONECT 1 119 CONECT 7 125 CONECT 35 125 CONECT 63 125 CONECT 119 1 CONECT 125 7 35 63 126 CONECT 126 125 MASTER 183 0 1 0 0 0 0 6 68 1 7 1 END