HEADER PROTEIN FIBRIL 03-SEP-08 SMS20045 TITLE SOLUTION NMR STRUCTURE OF HUMAN IAPP-1-19 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ISLET AMYLOID POLYPEPTIDE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 34-52; COMPND 5 SYNONYM: IAPP, AMYLIN, DIABETES-ASSOCIATED PEPTIDE, DAP, INSULINOMA COMPND 6 AMYLOID PEPTIDE; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 OTHER_DETAILS: SOLID-PHASE SYNTHESIS USING FMOC CHEMISTRY KEYWDS ISLET AMYLOID POLY PEPTIDE, AMYLIN, IAPP, TYPE II DIABETES, PROTEIN KEYWDS 2 FIBRIL EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR R.P.R.NANGA,J.R.BRENDER,J.XU,G.VEGLIA,A.RAMAMOORTHY JRNL AUTH R.P.R.NANGA,J.R.BRENDER,J.XU,G.VEGLIA,A.RAMAMOORTHY JRNL TITL STRUCTURES OF RAT AND HUMAN ISLET AMYLOID POLYPEPTIDE JRNL TITL 2 IAPP(1-19) IN MICELLES BY NMR SPECTROSCOPY JRNL REF BIOCHEMISTRY V. 47 12689 2008 JRNL REFN ISSN 0006-2960 JRNL PMID 18989932 JRNL DOI 10.1021/BI8014357 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH, TALOS REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE (X-PLOR_ REMARK 3 NIH), CORNILESCU, DELAGLIO AND BAX (TALOS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20045. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1.625MM IAPP; 200MM [U-100% 2H] REMARK 210 DPC; 0.02% SODIUM AZIDE; 20MM REMARK 210 SODIUM PHOSPHATE; 120MM SODIUM REMARK 210 CHLORIDE; 95% H2O/5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 900 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 2.1, SPARKY, X-PLOR_NIH, REMARK 210 PROCHECKNMR REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 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: STRUCTURE WAS DETERMINED USING NOE DATA REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LYS A 1 H ALA A 5 1.48 REMARK 500 O ALA A 13 H VAL A 17 1.49 REMARK 500 O ALA A 13 N VAL A 17 2.17 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 ALA A 5 -71.41 -99.11 REMARK 500 1 THR A 6 -60.59 -97.60 REMARK 500 1 CYS A 7 -8.43 -59.74 REMARK 500 2 ALA A 5 -71.20 -100.11 REMARK 500 2 THR A 6 -60.51 -97.60 REMARK 500 2 CYS A 7 -8.83 -51.02 REMARK 500 3 ALA A 5 -69.72 -99.59 REMARK 500 3 THR A 6 -60.77 -96.32 REMARK 500 3 CYS A 7 -8.63 -52.45 REMARK 500 4 ALA A 5 -69.01 -100.35 REMARK 500 5 ALA A 5 -70.79 -99.97 REMARK 500 5 THR A 6 -60.74 -96.68 REMARK 500 5 CYS A 7 -8.75 -48.39 REMARK 500 6 ALA A 5 -71.24 -99.91 REMARK 500 6 THR A 6 -60.47 -97.72 REMARK 500 6 CYS A 7 -8.78 -50.03 REMARK 500 7 ALA A 5 -71.84 -100.18 REMARK 500 7 THR A 6 -60.59 -98.24 REMARK 500 7 CYS A 7 -8.73 -51.37 REMARK 500 8 ALA A 5 -71.67 -100.37 REMARK 500 8 THR A 6 -60.94 -97.86 REMARK 500 8 CYS A 7 -9.25 -47.41 REMARK 500 9 ALA A 5 -72.25 -100.29 REMARK 500 9 THR A 6 -60.98 -98.63 REMARK 500 9 CYS A 7 -7.70 -48.04 REMARK 500 10 ALA A 5 -72.42 -100.60 REMARK 500 10 THR A 6 -60.97 -98.10 REMARK 500 10 CYS A 7 -8.89 -47.61 REMARK 500 11 ALA A 5 -71.63 -99.80 REMARK 500 11 THR A 6 -60.30 -97.93 REMARK 500 11 CYS A 7 -8.29 -50.43 REMARK 500 12 ALA A 5 -71.79 -99.14 REMARK 500 12 THR A 6 -61.15 -98.02 REMARK 500 13 ALA A 5 -71.37 -99.82 REMARK 500 13 THR A 6 -60.23 -97.89 REMARK 500 13 CYS A 7 -8.71 -50.39 REMARK 500 14 ALA A 5 -70.77 -100.30 REMARK 500 14 THR A 6 -61.23 -97.16 REMARK 500 14 CYS A 7 -8.72 -48.46 REMARK 500 15 ALA A 5 -71.63 -99.90 REMARK 500 15 THR A 6 -60.65 -97.77 REMARK 500 15 CYS A 7 -7.49 -48.86 REMARK 500 16 ALA A 5 -71.20 -99.73 REMARK 500 16 THR A 6 -60.35 -97.25 REMARK 500 16 CYS A 7 -8.71 -48.97 REMARK 500 17 ALA A 5 -71.21 -99.69 REMARK 500 17 THR A 6 -60.64 -97.48 REMARK 500 17 CYS A 7 -9.03 -49.59 REMARK 500 18 ALA A 5 -70.77 -100.00 REMARK 500 18 THR A 6 -60.69 -96.99 REMARK 500 REMARK 500 THIS ENTRY HAS 57 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20045 RELATED DB: BMRB REMARK 900 RELATED ID: 20046 RELATED DB: BMRB REMARK 900 RAT ISLET AMYLOID POLYPEPTIDE IAPP(1-19) DBREF A 1 19 UNP P10997 IAPP_HUMAN 34 52 SEQADV NH2 A 20 UNP P10997 AMIDATION SEQRES 1 A 20 LYS CYS ASN THR ALA THR CYS ALA THR GLN ARG LEU ALA SEQRES 2 A 20 ASN PHE LEU VAL HIS SER NH2 HET NH2 A 20 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N HELIX 1 1 THR A 6 ALA A 8 5 3 HELIX 2 2 THR A 9 VAL A 17 1 9 SSBOND 1 CYS A 2 CYS A 7 1555 1555 2.02 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 LYS A 1 2.820 12.413 -0.264 1.00 0.00 N ATOM 2 CA LYS A 1 2.240 11.548 0.803 1.00 0.00 C ATOM 3 C LYS A 1 1.466 10.405 0.160 1.00 0.00 C ATOM 4 O LYS A 1 0.675 9.729 0.818 1.00 0.00 O ATOM 5 CB LYS A 1 1.307 12.385 1.681 1.00 0.00 C ATOM 6 CG LYS A 1 2.095 13.543 2.297 1.00 0.00 C ATOM 7 CD LYS A 1 1.233 14.251 3.343 1.00 0.00 C ATOM 8 CE LYS A 1 1.929 15.536 3.791 1.00 0.00 C ATOM 9 NZ LYS A 1 1.861 16.545 2.694 1.00 0.00 N ATOM 10 H1 LYS A 1 2.197 12.404 -1.095 1.00 0.00 H ATOM 11 H2 LYS A 1 3.760 12.052 -0.529 1.00 0.00 H ATOM 12 H3 LYS A 1 2.911 13.387 0.089 1.00 0.00 H ATOM 13 HA LYS A 1 3.037 11.145 1.410 1.00 0.00 H ATOM 14 HB2 LYS A 1 0.500 12.777 1.078 1.00 0.00 H ATOM 15 HB3 LYS A 1 0.903 11.768 2.469 1.00 0.00 H ATOM 16 HG2 LYS A 1 2.990 13.160 2.764 1.00 0.00 H ATOM 17 HG3 LYS A 1 2.366 14.246 1.522 1.00 0.00 H ATOM 18 HD2 LYS A 1 0.270 14.489 2.915 1.00 0.00 H ATOM 19 HD3 LYS A 1 1.098 13.602 4.196 1.00 0.00 H ATOM 20 HE2 LYS A 1 1.437 15.926 4.669 1.00 0.00 H ATOM 21 HE3 LYS A 1 2.963 15.326 4.020 1.00 0.00 H ATOM 22 HZ1 LYS A 1 2.706 16.464 2.096 1.00 0.00 H ATOM 23 HZ2 LYS A 1 1.814 17.500 3.105 1.00 0.00 H ATOM 24 HZ3 LYS A 1 1.012 16.374 2.118 1.00 0.00 H ATOM 25 N CYS A 2 1.701 10.194 -1.131 1.00 0.00 N ATOM 26 CA CYS A 2 1.022 9.129 -1.858 1.00 0.00 C ATOM 27 C CYS A 2 1.072 7.825 -1.067 1.00 0.00 C ATOM 28 O CYS A 2 0.086 7.092 -0.997 1.00 0.00 O ATOM 29 CB CYS A 2 1.678 8.941 -3.235 1.00 0.00 C ATOM 30 SG CYS A 2 2.143 7.206 -3.484 1.00 0.00 S ATOM 31 H CYS A 2 2.341 10.766 -1.603 1.00 0.00 H ATOM 32 HA CYS A 2 -0.012 9.409 -2.002 1.00 0.00 H ATOM 33 HB2 CYS A 2 0.979 9.238 -4.005 1.00 0.00 H ATOM 34 HB3 CYS A 2 2.560 9.562 -3.296 1.00 0.00 H ATOM 35 N ASN A 3 2.228 7.540 -0.478 1.00 0.00 N ATOM 36 CA ASN A 3 2.396 6.318 0.300 1.00 0.00 C ATOM 37 C ASN A 3 1.539 6.354 1.557 1.00 0.00 C ATOM 38 O ASN A 3 0.738 5.457 1.800 1.00 0.00 O ATOM 39 CB ASN A 3 3.863 6.149 0.689 1.00 0.00 C ATOM 40 CG ASN A 3 4.759 6.448 -0.508 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.302 7.024 -1.495 1.00 0.00 O ATOM 42 ND2 ASN A 3 6.013 6.091 -0.480 1.00 0.00 N ATOM 43 H ASN A 3 2.983 8.159 -0.572 1.00 0.00 H ATOM 44 HA ASN A 3 2.098 5.476 -0.298 1.00 0.00 H ATOM 45 HB2 ASN A 3 4.102 6.830 1.495 1.00 0.00 H ATOM 46 HB3 ASN A 3 4.034 5.133 1.016 1.00 0.00 H ATOM 47 HD21 ASN A 3 6.375 5.631 0.312 1.00 0.00 H ATOM 48 HD22 ASN A 3 6.596 6.282 -1.250 1.00 0.00 H ATOM 49 N THR A 4 1.723 7.390 2.358 1.00 0.00 N ATOM 50 CA THR A 4 0.973 7.530 3.600 1.00 0.00 C ATOM 51 C THR A 4 -0.490 7.907 3.354 1.00 0.00 C ATOM 52 O THR A 4 -1.335 7.698 4.224 1.00 0.00 O ATOM 53 CB THR A 4 1.629 8.593 4.485 1.00 0.00 C ATOM 54 OG1 THR A 4 1.328 9.884 3.974 1.00 0.00 O ATOM 55 CG2 THR A 4 3.144 8.385 4.494 1.00 0.00 C ATOM 56 H THR A 4 2.383 8.073 2.117 1.00 0.00 H ATOM 57 HA THR A 4 1.002 6.588 4.125 1.00 0.00 H ATOM 58 HB THR A 4 1.251 8.507 5.491 1.00 0.00 H ATOM 59 HG1 THR A 4 0.500 9.826 3.492 1.00 0.00 H ATOM 60 HG21 THR A 4 3.373 7.394 4.887 1.00 0.00 H ATOM 61 HG22 THR A 4 3.611 9.142 5.124 1.00 0.00 H ATOM 62 HG23 THR A 4 3.529 8.471 3.478 1.00 0.00 H ATOM 63 N ALA A 5 -0.785 8.506 2.201 1.00 0.00 N ATOM 64 CA ALA A 5 -2.157 8.940 1.933 1.00 0.00 C ATOM 65 C ALA A 5 -2.959 7.974 1.053 1.00 0.00 C ATOM 66 O ALA A 5 -3.897 7.337 1.532 1.00 0.00 O ATOM 67 CB ALA A 5 -2.128 10.314 1.264 1.00 0.00 C ATOM 68 H ALA A 5 -0.078 8.687 1.549 1.00 0.00 H ATOM 69 HA ALA A 5 -2.668 9.042 2.876 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.148 10.642 1.062 1.00 0.00 H ATOM 71 HB2 ALA A 5 -1.575 10.251 0.327 1.00 0.00 H ATOM 72 HB3 ALA A 5 -1.641 11.030 1.925 1.00 0.00 H ATOM 73 N THR A 6 -2.633 7.899 -0.237 1.00 0.00 N ATOM 74 CA THR A 6 -3.396 7.037 -1.144 1.00 0.00 C ATOM 75 C THR A 6 -2.741 5.678 -1.380 1.00 0.00 C ATOM 76 O THR A 6 -3.335 4.639 -1.094 1.00 0.00 O ATOM 77 CB THR A 6 -3.579 7.742 -2.490 1.00 0.00 C ATOM 78 OG1 THR A 6 -4.252 8.978 -2.287 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.403 6.858 -3.425 1.00 0.00 C ATOM 80 H THR A 6 -1.903 8.450 -0.588 1.00 0.00 H ATOM 81 HA THR A 6 -4.374 6.873 -0.717 1.00 0.00 H ATOM 82 HB THR A 6 -2.613 7.926 -2.934 1.00 0.00 H ATOM 83 HG1 THR A 6 -5.186 8.790 -2.165 1.00 0.00 H ATOM 84 HG21 THR A 6 -3.886 5.911 -3.580 1.00 0.00 H ATOM 85 HG22 THR A 6 -4.532 7.362 -4.383 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.380 6.669 -2.980 1.00 0.00 H ATOM 87 N CYS A 7 -1.529 5.685 -1.924 1.00 0.00 N ATOM 88 CA CYS A 7 -0.833 4.437 -2.216 1.00 0.00 C ATOM 89 C CYS A 7 -0.628 3.618 -0.944 1.00 0.00 C ATOM 90 O CYS A 7 -0.203 2.464 -0.994 1.00 0.00 O ATOM 91 CB CYS A 7 0.508 4.723 -2.893 1.00 0.00 C ATOM 92 SG CYS A 7 0.387 6.267 -3.830 1.00 0.00 S ATOM 93 H CYS A 7 -1.106 6.539 -2.151 1.00 0.00 H ATOM 94 HA CYS A 7 -1.444 3.862 -2.897 1.00 0.00 H ATOM 95 HB2 CYS A 7 1.278 4.810 -2.147 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.749 3.912 -3.566 1.00 0.00 H ATOM 97 N ALA A 8 -0.937 4.220 0.195 1.00 0.00 N ATOM 98 CA ALA A 8 -0.792 3.533 1.472 1.00 0.00 C ATOM 99 C ALA A 8 -1.553 2.211 1.464 1.00 0.00 C ATOM 100 O ALA A 8 -1.229 1.306 2.227 1.00 0.00 O ATOM 101 CB ALA A 8 -1.324 4.414 2.604 1.00 0.00 C ATOM 102 H ALA A 8 -1.276 5.138 0.177 1.00 0.00 H ATOM 103 HA ALA A 8 0.253 3.333 1.648 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.212 3.892 3.554 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.378 4.631 2.432 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.762 5.347 2.634 1.00 0.00 H ATOM 107 N THR A 9 -2.559 2.108 0.597 1.00 0.00 N ATOM 108 CA THR A 9 -3.357 0.895 0.486 1.00 0.00 C ATOM 109 C THR A 9 -2.764 0.010 -0.586 1.00 0.00 C ATOM 110 O THR A 9 -2.953 -1.207 -0.609 1.00 0.00 O ATOM 111 CB THR A 9 -4.801 1.248 0.127 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.645 0.145 0.430 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.895 1.570 -1.364 1.00 0.00 C ATOM 114 H THR A 9 -2.751 2.852 -0.004 1.00 0.00 H ATOM 115 HA THR A 9 -3.344 0.378 1.426 1.00 0.00 H ATOM 116 HB THR A 9 -5.115 2.109 0.697 1.00 0.00 H ATOM 117 HG1 THR A 9 -6.003 -0.188 -0.396 1.00 0.00 H ATOM 118 HG21 THR A 9 -4.248 2.416 -1.595 1.00 0.00 H ATOM 119 HG22 THR A 9 -5.925 1.821 -1.618 1.00 0.00 H ATOM 120 HG23 THR A 9 -4.580 0.703 -1.944 1.00 0.00 H ATOM 121 N GLN A 10 -2.050 0.667 -1.478 1.00 0.00 N ATOM 122 CA GLN A 10 -1.401 0.016 -2.593 1.00 0.00 C ATOM 123 C GLN A 10 -0.219 -0.805 -2.108 1.00 0.00 C ATOM 124 O GLN A 10 -0.096 -1.988 -2.422 1.00 0.00 O ATOM 125 CB GLN A 10 -0.939 1.077 -3.591 1.00 0.00 C ATOM 126 CG GLN A 10 0.100 0.475 -4.518 1.00 0.00 C ATOM 127 CD GLN A 10 -0.105 0.985 -5.940 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.624 0.265 -6.791 1.00 0.00 O ATOM 129 NE2 GLN A 10 0.276 2.196 -6.248 1.00 0.00 N ATOM 130 H GLN A 10 -1.948 1.628 -1.370 1.00 0.00 H ATOM 131 HA GLN A 10 -2.108 -0.639 -3.079 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.785 1.420 -4.169 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.505 1.907 -3.064 1.00 0.00 H ATOM 134 HG2 GLN A 10 1.085 0.748 -4.172 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.005 -0.592 -4.500 1.00 0.00 H ATOM 136 HE21 GLN A 10 0.691 2.769 -5.565 1.00 0.00 H ATOM 137 HE22 GLN A 10 0.145 2.531 -7.164 1.00 0.00 H ATOM 138 N ARG A 11 0.645 -0.168 -1.328 1.00 0.00 N ATOM 139 CA ARG A 11 1.807 -0.854 -0.790 1.00 0.00 C ATOM 140 C ARG A 11 1.346 -1.836 0.269 1.00 0.00 C ATOM 141 O ARG A 11 1.953 -2.887 0.476 1.00 0.00 O ATOM 142 CB ARG A 11 2.785 0.153 -0.182 1.00 0.00 C ATOM 143 CG ARG A 11 4.212 -0.204 -0.600 1.00 0.00 C ATOM 144 CD ARG A 11 5.153 0.945 -0.237 1.00 0.00 C ATOM 145 NE ARG A 11 5.138 1.959 -1.284 1.00 0.00 N ATOM 146 CZ ARG A 11 6.056 2.918 -1.323 1.00 0.00 C ATOM 147 NH1 ARG A 11 6.995 2.959 -0.417 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.022 3.818 -2.267 1.00 0.00 N ATOM 149 H ARG A 11 0.485 0.772 -1.098 1.00 0.00 H ATOM 150 HA ARG A 11 2.301 -1.392 -1.586 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.543 1.146 -0.532 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.709 0.122 0.895 1.00 0.00 H ATOM 153 HG2 ARG A 11 4.524 -1.101 -0.085 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.245 -0.371 -1.666 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.832 1.389 0.692 1.00 0.00 H ATOM 156 HD3 ARG A 11 6.156 0.562 -0.123 1.00 0.00 H ATOM 157 HE ARG A 11 4.437 1.934 -1.971 1.00 0.00 H ATOM 158 HH11 ARG A 11 7.021 2.269 0.307 1.00 0.00 H ATOM 159 HH12 ARG A 11 7.687 3.679 -0.446 1.00 0.00 H ATOM 160 HH21 ARG A 11 5.302 3.788 -2.961 1.00 0.00 H ATOM 161 HH22 ARG A 11 6.715 4.538 -2.297 1.00 0.00 H ATOM 162 N LEU A 12 0.249 -1.485 0.923 1.00 0.00 N ATOM 163 CA LEU A 12 -0.318 -2.336 1.948 1.00 0.00 C ATOM 164 C LEU A 12 -0.894 -3.595 1.310 1.00 0.00 C ATOM 165 O LEU A 12 -0.819 -4.688 1.866 1.00 0.00 O ATOM 166 CB LEU A 12 -1.403 -1.572 2.710 1.00 0.00 C ATOM 167 CG LEU A 12 -2.588 -2.486 3.033 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.104 -3.672 3.864 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.636 -1.699 3.825 1.00 0.00 C ATOM 170 H LEU A 12 -0.193 -0.640 0.700 1.00 0.00 H ATOM 171 HA LEU A 12 0.459 -2.605 2.630 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.992 -1.183 3.627 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.743 -0.761 2.101 1.00 0.00 H ATOM 174 HG LEU A 12 -3.027 -2.847 2.116 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.947 -4.323 4.094 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.661 -3.310 4.792 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.357 -4.231 3.300 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.194 -1.335 4.753 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.481 -2.348 4.056 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.981 -0.853 3.231 1.00 0.00 H ATOM 181 N ALA A 13 -1.461 -3.418 0.125 1.00 0.00 N ATOM 182 CA ALA A 13 -2.044 -4.509 -0.615 1.00 0.00 C ATOM 183 C ALA A 13 -0.950 -5.342 -1.204 1.00 0.00 C ATOM 184 O ALA A 13 -1.071 -6.543 -1.389 1.00 0.00 O ATOM 185 CB ALA A 13 -2.956 -3.980 -1.724 1.00 0.00 C ATOM 186 H ALA A 13 -1.465 -2.536 -0.272 1.00 0.00 H ATOM 187 HA ALA A 13 -2.606 -5.106 0.047 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.387 -4.818 -2.272 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.376 -3.360 -2.407 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.756 -3.384 -1.284 1.00 0.00 H ATOM 191 N ASN A 14 0.111 -4.658 -1.513 1.00 0.00 N ATOM 192 CA ASN A 14 1.256 -5.288 -2.116 1.00 0.00 C ATOM 193 C ASN A 14 1.731 -6.459 -1.267 1.00 0.00 C ATOM 194 O ASN A 14 2.339 -7.403 -1.774 1.00 0.00 O ATOM 195 CB ASN A 14 2.394 -4.279 -2.287 1.00 0.00 C ATOM 196 CG ASN A 14 3.590 -4.950 -2.956 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.457 -5.517 -4.039 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.755 -4.918 -2.370 1.00 0.00 N ATOM 199 H ASN A 14 0.113 -3.707 -1.328 1.00 0.00 H ATOM 200 HA ASN A 14 0.960 -5.643 -3.081 1.00 0.00 H ATOM 201 HB2 ASN A 14 2.054 -3.457 -2.899 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.691 -3.906 -1.319 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.856 -4.464 -1.503 1.00 0.00 H ATOM 204 HD22 ASN A 14 5.531 -5.347 -2.797 1.00 0.00 H ATOM 205 N PHE A 15 1.447 -6.388 0.027 1.00 0.00 N ATOM 206 CA PHE A 15 1.843 -7.436 0.948 1.00 0.00 C ATOM 207 C PHE A 15 0.685 -8.384 1.177 1.00 0.00 C ATOM 208 O PHE A 15 0.855 -9.556 1.511 1.00 0.00 O ATOM 209 CB PHE A 15 2.265 -6.784 2.272 1.00 0.00 C ATOM 210 CG PHE A 15 1.222 -7.029 3.353 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.011 -8.322 3.851 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.468 -5.960 3.859 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.052 -8.545 4.846 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.491 -6.188 4.857 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.695 -7.479 5.348 1.00 0.00 C ATOM 216 H PHE A 15 0.941 -5.617 0.376 1.00 0.00 H ATOM 217 HA PHE A 15 2.678 -7.979 0.538 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.210 -7.194 2.584 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.370 -5.719 2.118 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.584 -9.148 3.470 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.621 -4.964 3.477 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.109 -9.543 5.226 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.069 -5.367 5.248 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.435 -7.653 6.117 1.00 0.00 H ATOM 225 N LEU A 16 -0.492 -7.819 1.047 1.00 0.00 N ATOM 226 CA LEU A 16 -1.719 -8.520 1.293 1.00 0.00 C ATOM 227 C LEU A 16 -2.367 -8.986 -0.002 1.00 0.00 C ATOM 228 O LEU A 16 -3.369 -9.700 0.015 1.00 0.00 O ATOM 229 CB LEU A 16 -2.606 -7.531 2.032 1.00 0.00 C ATOM 230 CG LEU A 16 -4.074 -7.879 1.854 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.870 -7.199 2.968 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.548 -7.364 0.491 1.00 0.00 C ATOM 233 H LEU A 16 -0.540 -6.874 0.806 1.00 0.00 H ATOM 234 HA LEU A 16 -1.531 -9.368 1.929 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.350 -7.538 3.074 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.428 -6.543 1.641 1.00 0.00 H ATOM 237 HG LEU A 16 -4.206 -8.949 1.912 1.00 0.00 H ATOM 238 HD11 LEU A 16 -5.928 -7.437 2.857 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.733 -6.119 2.906 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.518 -7.555 3.936 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.419 -6.283 0.446 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.601 -7.610 0.355 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.961 -7.833 -0.299 1.00 0.00 H ATOM 244 N VAL A 17 -1.794 -8.571 -1.121 1.00 0.00 N ATOM 245 CA VAL A 17 -2.333 -8.947 -2.415 1.00 0.00 C ATOM 246 C VAL A 17 -1.907 -10.364 -2.777 1.00 0.00 C ATOM 247 O VAL A 17 -2.665 -11.113 -3.394 1.00 0.00 O ATOM 248 CB VAL A 17 -1.857 -7.972 -3.496 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.334 -8.038 -3.611 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.487 -8.353 -4.840 1.00 0.00 C ATOM 251 H VAL A 17 -1.001 -7.999 -1.077 1.00 0.00 H ATOM 252 HA VAL A 17 -3.404 -8.902 -2.353 1.00 0.00 H ATOM 253 HB VAL A 17 -2.156 -6.968 -3.231 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.003 -7.344 -4.381 1.00 0.00 H ATOM 255 HG12 VAL A 17 -0.033 -9.051 -3.879 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.115 -7.767 -2.656 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.188 -9.366 -5.108 1.00 0.00 H ATOM 258 HG22 VAL A 17 -2.149 -7.660 -5.610 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.573 -8.304 -4.760 1.00 0.00 H ATOM 260 N HIS A 18 -0.690 -10.724 -2.387 1.00 0.00 N ATOM 261 CA HIS A 18 -0.168 -12.053 -2.674 1.00 0.00 C ATOM 262 C HIS A 18 -0.577 -13.038 -1.582 1.00 0.00 C ATOM 263 O HIS A 18 -0.946 -14.177 -1.866 1.00 0.00 O ATOM 264 CB HIS A 18 1.357 -12.003 -2.779 1.00 0.00 C ATOM 265 CG HIS A 18 1.754 -11.040 -3.863 1.00 0.00 C ATOM 266 ND1 HIS A 18 1.449 -11.263 -5.197 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.433 -9.846 -3.830 1.00 0.00 C ATOM 268 CE1 HIS A 18 1.939 -10.229 -5.905 1.00 0.00 C ATOM 269 NE2 HIS A 18 2.549 -9.337 -5.120 1.00 0.00 N ATOM 270 H HIS A 18 -0.132 -10.083 -1.897 1.00 0.00 H ATOM 271 HA HIS A 18 -0.570 -12.391 -3.617 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.772 -11.674 -1.837 1.00 0.00 H ATOM 273 HB3 HIS A 18 1.736 -12.987 -3.015 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.817 -9.373 -2.938 1.00 0.00 H ATOM 275 HE1 HIS A 18 1.853 -10.132 -6.978 1.00 0.00 H ATOM 276 HE2 HIS A 18 2.986 -8.503 -5.394 1.00 0.00 H ATOM 277 N SER A 19 -0.509 -12.588 -0.333 1.00 0.00 N ATOM 278 CA SER A 19 -0.876 -13.437 0.795 1.00 0.00 C ATOM 279 C SER A 19 -1.932 -14.457 0.379 1.00 0.00 C ATOM 280 O SER A 19 -2.884 -14.120 -0.323 1.00 0.00 O ATOM 281 CB SER A 19 -1.417 -12.578 1.938 1.00 0.00 C ATOM 282 OG SER A 19 -2.509 -11.800 1.465 1.00 0.00 O ATOM 283 H SER A 19 -0.209 -11.671 -0.168 1.00 0.00 H ATOM 284 HA SER A 19 0.002 -13.962 1.140 1.00 0.00 H ATOM 285 HB2 SER A 19 -1.755 -13.213 2.738 1.00 0.00 H ATOM 286 HB3 SER A 19 -0.631 -11.930 2.305 1.00 0.00 H ATOM 287 HG SER A 19 -3.311 -12.139 1.866 1.00 0.00 H HETATM 288 N NH2 A 20 -1.817 -15.696 0.775 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -2.490 -16.358 0.512 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -1.057 -15.963 1.335 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 2 ATOM 1 N LYS A 1 4.331 11.994 -0.559 1.00 0.00 N ATOM 2 CA LYS A 1 3.858 11.157 0.581 1.00 0.00 C ATOM 3 C LYS A 1 2.530 10.505 0.214 1.00 0.00 C ATOM 4 O LYS A 1 1.523 10.699 0.894 1.00 0.00 O ATOM 5 CB LYS A 1 3.686 12.039 1.819 1.00 0.00 C ATOM 6 CG LYS A 1 4.865 13.009 1.921 1.00 0.00 C ATOM 7 CD LYS A 1 6.147 12.227 2.208 1.00 0.00 C ATOM 8 CE LYS A 1 7.263 13.199 2.597 1.00 0.00 C ATOM 9 NZ LYS A 1 7.344 13.291 4.082 1.00 0.00 N ATOM 10 H1 LYS A 1 3.794 12.884 -0.582 1.00 0.00 H ATOM 11 H2 LYS A 1 4.186 11.478 -1.451 1.00 0.00 H ATOM 12 H3 LYS A 1 5.342 12.205 -0.440 1.00 0.00 H ATOM 13 HA LYS A 1 4.589 10.389 0.787 1.00 0.00 H ATOM 14 HB2 LYS A 1 2.764 12.597 1.739 1.00 0.00 H ATOM 15 HB3 LYS A 1 3.656 11.419 2.702 1.00 0.00 H ATOM 16 HG2 LYS A 1 4.968 13.548 0.991 1.00 0.00 H ATOM 17 HG3 LYS A 1 4.687 13.710 2.723 1.00 0.00 H ATOM 18 HD2 LYS A 1 5.973 11.534 3.017 1.00 0.00 H ATOM 19 HD3 LYS A 1 6.441 11.682 1.323 1.00 0.00 H ATOM 20 HE2 LYS A 1 8.204 12.844 2.204 1.00 0.00 H ATOM 21 HE3 LYS A 1 7.047 14.175 2.187 1.00 0.00 H ATOM 22 HZ1 LYS A 1 6.410 13.538 4.467 1.00 0.00 H ATOM 23 HZ2 LYS A 1 8.033 14.026 4.346 1.00 0.00 H ATOM 24 HZ3 LYS A 1 7.646 12.375 4.470 1.00 0.00 H ATOM 25 N CYS A 2 2.539 9.731 -0.867 1.00 0.00 N ATOM 26 CA CYS A 2 1.329 9.053 -1.323 1.00 0.00 C ATOM 27 C CYS A 2 1.029 7.837 -0.452 1.00 0.00 C ATOM 28 O CYS A 2 -0.053 7.727 0.126 1.00 0.00 O ATOM 29 CB CYS A 2 1.500 8.613 -2.779 1.00 0.00 C ATOM 30 SG CYS A 2 -0.122 8.254 -3.500 1.00 0.00 S ATOM 31 H CYS A 2 3.372 9.617 -1.369 1.00 0.00 H ATOM 32 HA CYS A 2 0.498 9.739 -1.262 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.976 9.403 -3.341 1.00 0.00 H ATOM 34 HB3 CYS A 2 2.113 7.725 -2.816 1.00 0.00 H ATOM 35 N ASN A 3 1.994 6.928 -0.358 1.00 0.00 N ATOM 36 CA ASN A 3 1.820 5.725 0.449 1.00 0.00 C ATOM 37 C ASN A 3 1.233 6.082 1.808 1.00 0.00 C ATOM 38 O ASN A 3 0.527 5.285 2.424 1.00 0.00 O ATOM 39 CB ASN A 3 3.167 5.025 0.634 1.00 0.00 C ATOM 40 CG ASN A 3 4.037 5.234 -0.602 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.282 4.293 -1.357 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.516 6.422 -0.857 1.00 0.00 N ATOM 43 H ASN A 3 2.837 7.068 -0.838 1.00 0.00 H ATOM 44 HA ASN A 3 1.145 5.051 -0.055 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.669 5.436 1.499 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.007 3.967 0.782 1.00 0.00 H ATOM 47 HD21 ASN A 3 4.318 7.171 -0.251 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.078 6.562 -1.653 1.00 0.00 H ATOM 49 N THR A 4 1.538 7.284 2.271 1.00 0.00 N ATOM 50 CA THR A 4 1.042 7.741 3.561 1.00 0.00 C ATOM 51 C THR A 4 -0.454 8.048 3.516 1.00 0.00 C ATOM 52 O THR A 4 -1.182 7.746 4.462 1.00 0.00 O ATOM 53 CB THR A 4 1.804 8.995 3.994 1.00 0.00 C ATOM 54 OG1 THR A 4 2.399 9.602 2.855 1.00 0.00 O ATOM 55 CG2 THR A 4 2.894 8.611 4.998 1.00 0.00 C ATOM 56 H THR A 4 2.107 7.876 1.738 1.00 0.00 H ATOM 57 HA THR A 4 1.214 6.967 4.293 1.00 0.00 H ATOM 58 HB THR A 4 1.122 9.690 4.458 1.00 0.00 H ATOM 59 HG1 THR A 4 2.674 8.903 2.257 1.00 0.00 H ATOM 60 HG21 THR A 4 2.437 8.145 5.871 1.00 0.00 H ATOM 61 HG22 THR A 4 3.436 9.505 5.306 1.00 0.00 H ATOM 62 HG23 THR A 4 3.586 7.909 4.533 1.00 0.00 H ATOM 63 N ALA A 5 -0.910 8.682 2.435 1.00 0.00 N ATOM 64 CA ALA A 5 -2.321 9.050 2.333 1.00 0.00 C ATOM 65 C ALA A 5 -3.141 8.085 1.470 1.00 0.00 C ATOM 66 O ALA A 5 -3.986 7.355 1.986 1.00 0.00 O ATOM 67 CB ALA A 5 -2.438 10.459 1.752 1.00 0.00 C ATOM 68 H ALA A 5 -0.289 8.929 1.718 1.00 0.00 H ATOM 69 HA ALA A 5 -2.743 9.061 3.325 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.490 10.735 1.675 1.00 0.00 H ATOM 71 HB2 ALA A 5 -1.984 10.483 0.762 1.00 0.00 H ATOM 72 HB3 ALA A 5 -1.924 11.165 2.404 1.00 0.00 H ATOM 73 N THR A 6 -2.925 8.113 0.155 1.00 0.00 N ATOM 74 CA THR A 6 -3.703 7.259 -0.745 1.00 0.00 C ATOM 75 C THR A 6 -2.975 5.973 -1.121 1.00 0.00 C ATOM 76 O THR A 6 -3.466 4.875 -0.862 1.00 0.00 O ATOM 77 CB THR A 6 -4.039 8.034 -2.021 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.349 7.457 -3.118 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.616 9.494 -1.856 1.00 0.00 C ATOM 80 H THR A 6 -2.264 8.736 -0.216 1.00 0.00 H ATOM 81 HA THR A 6 -4.627 6.998 -0.256 1.00 0.00 H ATOM 82 HB THR A 6 -5.103 7.989 -2.199 1.00 0.00 H ATOM 83 HG1 THR A 6 -3.389 6.503 -3.026 1.00 0.00 H ATOM 84 HG21 THR A 6 -4.149 9.934 -1.013 1.00 0.00 H ATOM 85 HG22 THR A 6 -3.855 10.047 -2.764 1.00 0.00 H ATOM 86 HG23 THR A 6 -2.543 9.543 -1.673 1.00 0.00 H ATOM 87 N CYS A 7 -1.815 6.108 -1.754 1.00 0.00 N ATOM 88 CA CYS A 7 -1.055 4.939 -2.178 1.00 0.00 C ATOM 89 C CYS A 7 -0.875 3.962 -1.018 1.00 0.00 C ATOM 90 O CYS A 7 -0.405 2.839 -1.202 1.00 0.00 O ATOM 91 CB CYS A 7 0.306 5.364 -2.733 1.00 0.00 C ATOM 92 SG CYS A 7 0.060 6.373 -4.215 1.00 0.00 S ATOM 93 H CYS A 7 -1.475 7.005 -1.954 1.00 0.00 H ATOM 94 HA CYS A 7 -1.605 4.443 -2.963 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.831 5.942 -1.992 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.883 4.488 -2.985 1.00 0.00 H ATOM 97 N ALA A 8 -1.256 4.402 0.175 1.00 0.00 N ATOM 98 CA ALA A 8 -1.143 3.572 1.371 1.00 0.00 C ATOM 99 C ALA A 8 -1.865 2.236 1.195 1.00 0.00 C ATOM 100 O ALA A 8 -1.547 1.267 1.877 1.00 0.00 O ATOM 101 CB ALA A 8 -1.728 4.317 2.574 1.00 0.00 C ATOM 102 H ALA A 8 -1.626 5.306 0.255 1.00 0.00 H ATOM 103 HA ALA A 8 -0.098 3.377 1.561 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.642 3.694 3.465 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.778 4.541 2.388 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.181 5.247 2.727 1.00 0.00 H ATOM 107 N THR A 9 -2.833 2.199 0.281 1.00 0.00 N ATOM 108 CA THR A 9 -3.599 0.985 0.010 1.00 0.00 C ATOM 109 C THR A 9 -2.915 0.194 -1.090 1.00 0.00 C ATOM 110 O THR A 9 -3.162 -0.995 -1.290 1.00 0.00 O ATOM 111 CB THR A 9 -5.019 1.350 -0.429 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.972 2.496 -1.269 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.873 1.651 0.804 1.00 0.00 C ATOM 114 H THR A 9 -3.026 2.997 -0.240 1.00 0.00 H ATOM 115 HA THR A 9 -3.653 0.394 0.901 1.00 0.00 H ATOM 116 HB THR A 9 -5.454 0.524 -0.970 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.224 3.032 -0.998 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.907 0.771 1.447 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.884 1.911 0.491 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.437 2.485 1.353 1.00 0.00 H ATOM 121 N GLN A 10 -2.074 0.910 -1.808 1.00 0.00 N ATOM 122 CA GLN A 10 -1.331 0.373 -2.932 1.00 0.00 C ATOM 123 C GLN A 10 -0.267 -0.618 -2.482 1.00 0.00 C ATOM 124 O GLN A 10 -0.192 -1.738 -2.987 1.00 0.00 O ATOM 125 CB GLN A 10 -0.673 1.545 -3.659 1.00 0.00 C ATOM 126 CG GLN A 10 -0.416 1.196 -5.120 1.00 0.00 C ATOM 127 CD GLN A 10 0.958 0.550 -5.270 1.00 0.00 C ATOM 128 OE1 GLN A 10 1.610 0.236 -4.273 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.439 0.332 -6.463 1.00 0.00 N ATOM 130 H GLN A 10 -1.952 1.846 -1.573 1.00 0.00 H ATOM 131 HA GLN A 10 -2.014 -0.120 -3.604 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.330 2.398 -3.612 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.259 1.786 -3.174 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.177 0.516 -5.469 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.450 2.101 -5.704 1.00 0.00 H ATOM 136 HE21 GLN A 10 0.916 0.585 -7.257 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.325 -0.084 -6.566 1.00 0.00 H ATOM 138 N ARG A 11 0.549 -0.198 -1.527 1.00 0.00 N ATOM 139 CA ARG A 11 1.603 -1.055 -1.013 1.00 0.00 C ATOM 140 C ARG A 11 1.024 -1.993 0.029 1.00 0.00 C ATOM 141 O ARG A 11 1.558 -3.071 0.288 1.00 0.00 O ATOM 142 CB ARG A 11 2.714 -0.206 -0.389 1.00 0.00 C ATOM 143 CG ARG A 11 3.301 0.724 -1.452 1.00 0.00 C ATOM 144 CD ARG A 11 4.558 1.403 -0.903 1.00 0.00 C ATOM 145 NE ARG A 11 5.256 2.110 -1.973 1.00 0.00 N ATOM 146 CZ ARG A 11 6.299 1.566 -2.595 1.00 0.00 C ATOM 147 NH1 ARG A 11 6.721 0.379 -2.253 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.902 2.222 -3.550 1.00 0.00 N ATOM 149 H ARG A 11 0.435 0.702 -1.159 1.00 0.00 H ATOM 150 HA ARG A 11 2.017 -1.635 -1.823 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.304 0.382 0.420 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.491 -0.852 -0.007 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.558 0.148 -2.330 1.00 0.00 H ATOM 154 HG3 ARG A 11 2.574 1.477 -1.714 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.275 2.109 -0.136 1.00 0.00 H ATOM 156 HD3 ARG A 11 5.211 0.657 -0.476 1.00 0.00 H ATOM 157 HE ARG A 11 4.949 3.002 -2.238 1.00 0.00 H ATOM 158 HH11 ARG A 11 6.262 -0.125 -1.524 1.00 0.00 H ATOM 159 HH12 ARG A 11 7.505 -0.026 -2.723 1.00 0.00 H ATOM 160 HH21 ARG A 11 6.579 3.132 -3.813 1.00 0.00 H ATOM 161 HH22 ARG A 11 7.687 1.815 -4.016 1.00 0.00 H ATOM 162 N LEU A 12 -0.084 -1.565 0.617 1.00 0.00 N ATOM 163 CA LEU A 12 -0.757 -2.355 1.629 1.00 0.00 C ATOM 164 C LEU A 12 -1.367 -3.610 1.007 1.00 0.00 C ATOM 165 O LEU A 12 -1.295 -4.701 1.568 1.00 0.00 O ATOM 166 CB LEU A 12 -1.838 -1.501 2.288 1.00 0.00 C ATOM 167 CG LEU A 12 -3.047 -2.353 2.672 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.605 -3.467 3.616 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.083 -1.473 3.371 1.00 0.00 C ATOM 170 H LEU A 12 -0.460 -0.695 0.359 1.00 0.00 H ATOM 171 HA LEU A 12 -0.041 -2.636 2.371 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.436 -1.029 3.173 1.00 0.00 H ATOM 173 HB3 LEU A 12 -2.142 -0.750 1.594 1.00 0.00 H ATOM 174 HG LEU A 12 -3.481 -2.781 1.784 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.467 -4.075 3.890 1.00 0.00 H ATOM 176 HD12 LEU A 12 -2.168 -3.031 4.514 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.863 -4.092 3.119 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.644 -1.037 4.269 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.947 -2.077 3.647 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.398 -0.676 2.697 1.00 0.00 H ATOM 181 N ALA A 13 -1.948 -3.445 -0.171 1.00 0.00 N ATOM 182 CA ALA A 13 -2.542 -4.550 -0.885 1.00 0.00 C ATOM 183 C ALA A 13 -1.444 -5.387 -1.457 1.00 0.00 C ATOM 184 O ALA A 13 -1.557 -6.597 -1.615 1.00 0.00 O ATOM 185 CB ALA A 13 -3.459 -4.044 -1.999 1.00 0.00 C ATOM 186 H ALA A 13 -1.949 -2.570 -0.586 1.00 0.00 H ATOM 187 HA ALA A 13 -3.100 -5.138 -0.204 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.896 -4.893 -2.524 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.881 -3.442 -2.700 1.00 0.00 H ATOM 190 HB3 ALA A 13 -4.254 -3.436 -1.568 1.00 0.00 H ATOM 191 N ASN A 14 -0.386 -4.695 -1.777 1.00 0.00 N ATOM 192 CA ASN A 14 0.778 -5.315 -2.367 1.00 0.00 C ATOM 193 C ASN A 14 1.386 -6.348 -1.425 1.00 0.00 C ATOM 194 O ASN A 14 2.062 -7.279 -1.863 1.00 0.00 O ATOM 195 CB ASN A 14 1.826 -4.260 -2.713 1.00 0.00 C ATOM 196 CG ASN A 14 2.983 -4.903 -3.470 1.00 0.00 C ATOM 197 OD1 ASN A 14 2.806 -5.365 -4.598 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.162 -4.962 -2.917 1.00 0.00 N ATOM 199 H ASN A 14 -0.400 -3.737 -1.614 1.00 0.00 H ATOM 200 HA ASN A 14 0.465 -5.797 -3.267 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.374 -3.498 -3.330 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.198 -3.812 -1.804 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.299 -4.591 -2.016 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.911 -5.378 -3.399 1.00 0.00 H ATOM 205 N PHE A 15 1.131 -6.188 -0.131 1.00 0.00 N ATOM 206 CA PHE A 15 1.647 -7.119 0.857 1.00 0.00 C ATOM 207 C PHE A 15 0.595 -8.169 1.123 1.00 0.00 C ATOM 208 O PHE A 15 0.871 -9.286 1.558 1.00 0.00 O ATOM 209 CB PHE A 15 1.965 -6.354 2.156 1.00 0.00 C ATOM 210 CG PHE A 15 0.928 -6.662 3.229 1.00 0.00 C ATOM 211 CD1 PHE A 15 0.862 -7.942 3.798 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.035 -5.667 3.654 1.00 0.00 C ATOM 213 CE1 PHE A 15 -0.090 -8.225 4.783 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.917 -5.956 4.642 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.979 -7.233 5.204 1.00 0.00 C ATOM 216 H PHE A 15 0.566 -5.439 0.167 1.00 0.00 H ATOM 217 HA PHE A 15 2.545 -7.583 0.486 1.00 0.00 H ATOM 218 HB2 PHE A 15 2.941 -6.641 2.508 1.00 0.00 H ATOM 219 HB3 PHE A 15 1.957 -5.294 1.949 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.543 -8.710 3.479 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.079 -4.682 3.222 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.141 -9.211 5.215 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.603 -5.192 4.972 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.712 -7.454 5.966 1.00 0.00 H ATOM 225 N LEU A 16 -0.622 -7.750 0.882 1.00 0.00 N ATOM 226 CA LEU A 16 -1.780 -8.558 1.121 1.00 0.00 C ATOM 227 C LEU A 16 -2.300 -9.171 -0.169 1.00 0.00 C ATOM 228 O LEU A 16 -3.213 -9.996 -0.157 1.00 0.00 O ATOM 229 CB LEU A 16 -2.798 -7.625 1.752 1.00 0.00 C ATOM 230 CG LEU A 16 -4.215 -8.108 1.510 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.119 -7.485 2.573 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.662 -7.656 0.116 1.00 0.00 C ATOM 233 H LEU A 16 -0.753 -6.838 0.555 1.00 0.00 H ATOM 234 HA LEU A 16 -1.538 -9.341 1.821 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.607 -7.564 2.804 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.683 -6.642 1.321 1.00 0.00 H ATOM 237 HG LEU A 16 -4.255 -9.185 1.582 1.00 0.00 H ATOM 238 HD11 LEU A 16 -6.145 -7.819 2.419 1.00 0.00 H ATOM 239 HD12 LEU A 16 -5.075 -6.399 2.496 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.782 -7.793 3.563 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.629 -6.568 0.058 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.680 -7.998 -0.068 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.995 -8.080 -0.635 1.00 0.00 H ATOM 244 N VAL A 17 -1.710 -8.768 -1.285 1.00 0.00 N ATOM 245 CA VAL A 17 -2.126 -9.293 -2.570 1.00 0.00 C ATOM 246 C VAL A 17 -1.698 -10.747 -2.701 1.00 0.00 C ATOM 247 O VAL A 17 -2.460 -11.594 -3.170 1.00 0.00 O ATOM 248 CB VAL A 17 -1.514 -8.477 -3.710 1.00 0.00 C ATOM 249 CG1 VAL A 17 0.010 -8.583 -3.653 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.009 -9.031 -5.048 1.00 0.00 C ATOM 251 H VAL A 17 -0.984 -8.112 -1.241 1.00 0.00 H ATOM 252 HA VAL A 17 -3.198 -9.230 -2.629 1.00 0.00 H ATOM 253 HB VAL A 17 -1.809 -7.443 -3.616 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.446 -8.002 -4.465 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.306 -9.627 -3.755 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.366 -8.196 -2.698 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.709 -10.074 -5.143 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.576 -8.453 -5.864 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.096 -8.961 -5.091 1.00 0.00 H ATOM 260 N HIS A 18 -0.469 -11.029 -2.281 1.00 0.00 N ATOM 261 CA HIS A 18 0.062 -12.385 -2.350 1.00 0.00 C ATOM 262 C HIS A 18 -0.299 -13.168 -1.093 1.00 0.00 C ATOM 263 O HIS A 18 -0.834 -14.273 -1.170 1.00 0.00 O ATOM 264 CB HIS A 18 1.582 -12.348 -2.517 1.00 0.00 C ATOM 265 CG HIS A 18 2.160 -11.235 -1.688 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.514 -11.409 -0.359 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.463 -9.929 -1.987 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.008 -10.240 0.088 1.00 0.00 C ATOM 269 NE2 HIS A 18 2.999 -9.305 -0.866 1.00 0.00 N ATOM 270 H HIS A 18 0.088 -10.308 -1.912 1.00 0.00 H ATOM 271 HA HIS A 18 -0.367 -12.883 -3.206 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.001 -13.290 -2.193 1.00 0.00 H ATOM 273 HB3 HIS A 18 1.827 -12.184 -3.556 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.306 -9.456 -2.946 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.365 -10.077 1.094 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.308 -8.378 -0.791 1.00 0.00 H ATOM 277 N SER A 19 0.001 -12.586 0.064 1.00 0.00 N ATOM 278 CA SER A 19 -0.293 -13.238 1.334 1.00 0.00 C ATOM 279 C SER A 19 0.750 -14.307 1.642 1.00 0.00 C ATOM 280 O SER A 19 1.164 -14.464 2.789 1.00 0.00 O ATOM 281 CB SER A 19 -1.680 -13.878 1.280 1.00 0.00 C ATOM 282 OG SER A 19 -2.208 -13.965 2.598 1.00 0.00 O ATOM 283 H SER A 19 0.429 -11.704 0.064 1.00 0.00 H ATOM 284 HA SER A 19 -0.281 -12.498 2.120 1.00 0.00 H ATOM 285 HB2 SER A 19 -2.335 -13.273 0.676 1.00 0.00 H ATOM 286 HB3 SER A 19 -1.603 -14.866 0.847 1.00 0.00 H ATOM 287 HG SER A 19 -3.138 -14.194 2.531 1.00 0.00 H HETATM 288 N NH2 A 20 1.204 -15.056 0.675 1.00 0.00 N HETATM 289 HN1 NH2 A 20 1.874 -15.746 0.862 1.00 0.00 H HETATM 290 HN2 NH2 A 20 0.873 -14.930 -0.240 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 3 ATOM 1 N LYS A 1 3.128 12.140 1.379 1.00 0.00 N ATOM 2 CA LYS A 1 3.039 11.785 -0.067 1.00 0.00 C ATOM 3 C LYS A 1 1.812 10.914 -0.299 1.00 0.00 C ATOM 4 O LYS A 1 0.849 10.960 0.466 1.00 0.00 O ATOM 5 CB LYS A 1 4.303 11.029 -0.489 1.00 0.00 C ATOM 6 CG LYS A 1 5.508 11.569 0.285 1.00 0.00 C ATOM 7 CD LYS A 1 6.799 11.171 -0.432 1.00 0.00 C ATOM 8 CE LYS A 1 7.984 11.899 0.208 1.00 0.00 C ATOM 9 NZ LYS A 1 9.259 11.319 -0.296 1.00 0.00 N ATOM 10 H1 LYS A 1 4.056 11.855 1.750 1.00 0.00 H ATOM 11 H2 LYS A 1 2.377 11.645 1.903 1.00 0.00 H ATOM 12 H3 LYS A 1 3.012 13.166 1.492 1.00 0.00 H ATOM 13 HA LYS A 1 2.950 12.689 -0.651 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.180 9.977 -0.280 1.00 0.00 H ATOM 15 HB3 LYS A 1 4.468 11.168 -1.548 1.00 0.00 H ATOM 16 HG2 LYS A 1 5.443 12.646 0.343 1.00 0.00 H ATOM 17 HG3 LYS A 1 5.511 11.154 1.282 1.00 0.00 H ATOM 18 HD2 LYS A 1 6.945 10.104 -0.348 1.00 0.00 H ATOM 19 HD3 LYS A 1 6.732 11.445 -1.474 1.00 0.00 H ATOM 20 HE2 LYS A 1 7.939 12.948 -0.046 1.00 0.00 H ATOM 21 HE3 LYS A 1 7.936 11.787 1.282 1.00 0.00 H ATOM 22 HZ1 LYS A 1 10.045 11.635 0.306 1.00 0.00 H ATOM 23 HZ2 LYS A 1 9.421 11.636 -1.274 1.00 0.00 H ATOM 24 HZ3 LYS A 1 9.202 10.282 -0.271 1.00 0.00 H ATOM 25 N CYS A 2 1.855 10.122 -1.364 1.00 0.00 N ATOM 26 CA CYS A 2 0.744 9.243 -1.698 1.00 0.00 C ATOM 27 C CYS A 2 0.727 8.026 -0.776 1.00 0.00 C ATOM 28 O CYS A 2 -0.280 7.737 -0.132 1.00 0.00 O ATOM 29 CB CYS A 2 0.869 8.787 -3.154 1.00 0.00 C ATOM 30 SG CYS A 2 -0.709 8.112 -3.722 1.00 0.00 S ATOM 31 H CYS A 2 2.650 10.132 -1.938 1.00 0.00 H ATOM 32 HA CYS A 2 -0.181 9.785 -1.580 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.141 9.631 -3.771 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.634 8.028 -3.229 1.00 0.00 H ATOM 35 N ASN A 3 1.853 7.320 -0.717 1.00 0.00 N ATOM 36 CA ASN A 3 1.962 6.135 0.130 1.00 0.00 C ATOM 37 C ASN A 3 1.432 6.423 1.528 1.00 0.00 C ATOM 38 O ASN A 3 0.924 5.531 2.207 1.00 0.00 O ATOM 39 CB ASN A 3 3.426 5.697 0.221 1.00 0.00 C ATOM 40 CG ASN A 3 3.978 5.416 -1.172 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.290 4.269 -1.495 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.119 6.396 -2.019 1.00 0.00 N ATOM 43 H ASN A 3 2.623 7.600 -1.255 1.00 0.00 H ATOM 44 HA ASN A 3 1.387 5.332 -0.302 1.00 0.00 H ATOM 45 HB2 ASN A 3 4.004 6.481 0.685 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.492 4.801 0.820 1.00 0.00 H ATOM 47 HD21 ASN A 3 3.870 7.312 -1.757 1.00 0.00 H ATOM 48 HD22 ASN A 3 4.477 6.221 -2.920 1.00 0.00 H ATOM 49 N THR A 4 1.565 7.671 1.954 1.00 0.00 N ATOM 50 CA THR A 4 1.109 8.067 3.278 1.00 0.00 C ATOM 51 C THR A 4 -0.417 8.112 3.364 1.00 0.00 C ATOM 52 O THR A 4 -0.998 7.674 4.358 1.00 0.00 O ATOM 53 CB THR A 4 1.671 9.447 3.629 1.00 0.00 C ATOM 54 OG1 THR A 4 1.037 10.431 2.822 1.00 0.00 O ATOM 55 CG2 THR A 4 3.179 9.470 3.378 1.00 0.00 C ATOM 56 H THR A 4 1.985 8.337 1.370 1.00 0.00 H ATOM 57 HA THR A 4 1.475 7.355 3.999 1.00 0.00 H ATOM 58 HB THR A 4 1.480 9.657 4.670 1.00 0.00 H ATOM 59 HG1 THR A 4 1.287 10.271 1.908 1.00 0.00 H ATOM 60 HG21 THR A 4 3.663 8.715 3.998 1.00 0.00 H ATOM 61 HG22 THR A 4 3.575 10.454 3.629 1.00 0.00 H ATOM 62 HG23 THR A 4 3.376 9.257 2.327 1.00 0.00 H ATOM 63 N ALA A 5 -1.063 8.678 2.344 1.00 0.00 N ATOM 64 CA ALA A 5 -2.519 8.805 2.363 1.00 0.00 C ATOM 65 C ALA A 5 -3.239 7.726 1.549 1.00 0.00 C ATOM 66 O ALA A 5 -3.937 6.884 2.112 1.00 0.00 O ATOM 67 CB ALA A 5 -2.918 10.182 1.832 1.00 0.00 C ATOM 68 H ALA A 5 -0.554 9.041 1.588 1.00 0.00 H ATOM 69 HA ALA A 5 -2.852 8.735 3.388 1.00 0.00 H ATOM 70 HB1 ALA A 5 -4.004 10.277 1.846 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.557 10.296 0.810 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.478 10.956 2.461 1.00 0.00 H ATOM 73 N THR A 6 -3.117 7.783 0.221 1.00 0.00 N ATOM 74 CA THR A 6 -3.823 6.825 -0.634 1.00 0.00 C ATOM 75 C THR A 6 -2.956 5.636 -1.046 1.00 0.00 C ATOM 76 O THR A 6 -3.292 4.489 -0.749 1.00 0.00 O ATOM 77 CB THR A 6 -4.323 7.538 -1.892 1.00 0.00 C ATOM 78 OG1 THR A 6 -5.079 8.681 -1.519 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.202 6.587 -2.707 1.00 0.00 C ATOM 80 H THR A 6 -2.582 8.497 -0.187 1.00 0.00 H ATOM 81 HA THR A 6 -4.679 6.452 -0.095 1.00 0.00 H ATOM 82 HB THR A 6 -3.480 7.843 -2.492 1.00 0.00 H ATOM 83 HG1 THR A 6 -4.805 8.941 -0.636 1.00 0.00 H ATOM 84 HG21 THR A 6 -4.621 5.711 -2.995 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.557 7.097 -3.602 1.00 0.00 H ATOM 86 HG23 THR A 6 -6.055 6.275 -2.105 1.00 0.00 H ATOM 87 N CYS A 7 -1.859 5.901 -1.746 1.00 0.00 N ATOM 88 CA CYS A 7 -0.991 4.819 -2.199 1.00 0.00 C ATOM 89 C CYS A 7 -0.609 3.917 -1.028 1.00 0.00 C ATOM 90 O CYS A 7 -0.022 2.850 -1.214 1.00 0.00 O ATOM 91 CB CYS A 7 0.257 5.382 -2.881 1.00 0.00 C ATOM 92 SG CYS A 7 -0.235 6.263 -4.382 1.00 0.00 S ATOM 93 H CYS A 7 -1.639 6.828 -1.974 1.00 0.00 H ATOM 94 HA CYS A 7 -1.537 4.230 -2.920 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.756 6.065 -2.216 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.926 4.575 -3.140 1.00 0.00 H ATOM 97 N ALA A 8 -0.961 4.354 0.176 1.00 0.00 N ATOM 98 CA ALA A 8 -0.676 3.589 1.387 1.00 0.00 C ATOM 99 C ALA A 8 -1.313 2.201 1.315 1.00 0.00 C ATOM 100 O ALA A 8 -0.887 1.280 2.006 1.00 0.00 O ATOM 101 CB ALA A 8 -1.213 4.334 2.611 1.00 0.00 C ATOM 102 H ALA A 8 -1.436 5.208 0.252 1.00 0.00 H ATOM 103 HA ALA A 8 0.393 3.480 1.489 1.00 0.00 H ATOM 104 HB1 ALA A 8 -0.997 3.758 3.511 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.291 4.465 2.514 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.734 5.311 2.682 1.00 0.00 H ATOM 107 N THR A 9 -2.335 2.074 0.473 1.00 0.00 N ATOM 108 CA THR A 9 -3.052 0.815 0.291 1.00 0.00 C ATOM 109 C THR A 9 -2.387 0.020 -0.814 1.00 0.00 C ATOM 110 O THR A 9 -2.593 -1.184 -0.969 1.00 0.00 O ATOM 111 CB THR A 9 -4.511 1.088 -0.083 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.072 2.013 0.841 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.302 -0.221 -0.043 1.00 0.00 C ATOM 114 H THR A 9 -2.607 2.843 -0.056 1.00 0.00 H ATOM 115 HA THR A 9 -3.025 0.255 1.203 1.00 0.00 H ATOM 116 HB THR A 9 -4.558 1.501 -1.078 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.414 2.686 1.025 1.00 0.00 H ATOM 118 HG21 THR A 9 -4.872 -0.928 -0.752 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.341 -0.027 -0.309 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.258 -0.642 0.961 1.00 0.00 H ATOM 121 N GLN A 10 -1.606 0.742 -1.587 1.00 0.00 N ATOM 122 CA GLN A 10 -0.891 0.195 -2.721 1.00 0.00 C ATOM 123 C GLN A 10 0.203 -0.754 -2.262 1.00 0.00 C ATOM 124 O GLN A 10 0.270 -1.903 -2.699 1.00 0.00 O ATOM 125 CB GLN A 10 -0.278 1.355 -3.498 1.00 0.00 C ATOM 126 CG GLN A 10 -0.081 0.975 -4.961 1.00 0.00 C ATOM 127 CD GLN A 10 1.245 0.245 -5.141 1.00 0.00 C ATOM 128 OE1 GLN A 10 1.473 -0.794 -4.521 1.00 0.00 O ATOM 129 NE2 GLN A 10 2.142 0.729 -5.958 1.00 0.00 N ATOM 130 H GLN A 10 -1.506 1.688 -1.384 1.00 0.00 H ATOM 131 HA GLN A 10 -1.581 -0.334 -3.358 1.00 0.00 H ATOM 132 HB2 GLN A 10 -0.940 2.205 -3.440 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.671 1.615 -3.060 1.00 0.00 H ATOM 134 HG2 GLN A 10 -0.891 0.338 -5.283 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.077 1.874 -5.555 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.957 1.559 -6.452 1.00 0.00 H ATOM 137 HE22 GLN A 10 3.000 0.264 -6.078 1.00 0.00 H ATOM 138 N ARG A 11 1.050 -0.272 -1.365 1.00 0.00 N ATOM 139 CA ARG A 11 2.124 -1.095 -0.841 1.00 0.00 C ATOM 140 C ARG A 11 1.552 -2.053 0.186 1.00 0.00 C ATOM 141 O ARG A 11 2.044 -3.169 0.358 1.00 0.00 O ATOM 142 CB ARG A 11 3.202 -0.224 -0.191 1.00 0.00 C ATOM 143 CG ARG A 11 2.543 0.947 0.540 1.00 0.00 C ATOM 144 CD ARG A 11 3.464 1.429 1.662 1.00 0.00 C ATOM 145 NE ARG A 11 3.905 0.301 2.473 1.00 0.00 N ATOM 146 CZ ARG A 11 3.063 -0.337 3.279 1.00 0.00 C ATOM 147 NH1 ARG A 11 1.817 0.042 3.352 1.00 0.00 N ATOM 148 NH2 ARG A 11 3.481 -1.345 3.996 1.00 0.00 N ATOM 149 H ARG A 11 0.938 0.647 -1.041 1.00 0.00 H ATOM 150 HA ARG A 11 2.566 -1.661 -1.649 1.00 0.00 H ATOM 151 HB2 ARG A 11 3.767 -0.816 0.513 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.865 0.157 -0.954 1.00 0.00 H ATOM 153 HG2 ARG A 11 2.368 1.754 -0.156 1.00 0.00 H ATOM 154 HG3 ARG A 11 1.603 0.624 0.963 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.325 1.916 1.231 1.00 0.00 H ATOM 156 HD3 ARG A 11 2.932 2.133 2.283 1.00 0.00 H ATOM 157 HE ARG A 11 4.839 0.009 2.424 1.00 0.00 H ATOM 158 HH11 ARG A 11 1.497 0.813 2.801 1.00 0.00 H ATOM 159 HH12 ARG A 11 1.182 -0.438 3.956 1.00 0.00 H ATOM 160 HH21 ARG A 11 4.436 -1.636 3.939 1.00 0.00 H ATOM 161 HH22 ARG A 11 2.846 -1.824 4.602 1.00 0.00 H ATOM 162 N LEU A 12 0.500 -1.607 0.859 1.00 0.00 N ATOM 163 CA LEU A 12 -0.144 -2.429 1.864 1.00 0.00 C ATOM 164 C LEU A 12 -0.859 -3.609 1.209 1.00 0.00 C ATOM 165 O LEU A 12 -0.837 -4.725 1.723 1.00 0.00 O ATOM 166 CB LEU A 12 -1.128 -1.586 2.678 1.00 0.00 C ATOM 167 CG LEU A 12 -2.317 -2.433 3.136 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.813 -3.590 3.993 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.271 -1.566 3.963 1.00 0.00 C ATOM 170 H LEU A 12 0.149 -0.708 0.671 1.00 0.00 H ATOM 171 HA LEU A 12 0.611 -2.799 2.519 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.621 -1.184 3.544 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.479 -0.781 2.071 1.00 0.00 H ATOM 174 HG LEU A 12 -2.837 -2.821 2.278 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.658 -4.195 4.321 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.289 -3.196 4.864 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.131 -4.206 3.407 1.00 0.00 H ATOM 178 HD21 LEU A 12 -2.745 -1.176 4.835 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.119 -2.168 4.290 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.629 -0.736 3.354 1.00 0.00 H ATOM 181 N ALA A 13 -1.476 -3.347 0.061 1.00 0.00 N ATOM 182 CA ALA A 13 -2.188 -4.364 -0.683 1.00 0.00 C ATOM 183 C ALA A 13 -1.195 -5.284 -1.320 1.00 0.00 C ATOM 184 O ALA A 13 -1.433 -6.474 -1.525 1.00 0.00 O ATOM 185 CB ALA A 13 -3.069 -3.724 -1.759 1.00 0.00 C ATOM 186 H ALA A 13 -1.434 -2.456 -0.304 1.00 0.00 H ATOM 187 HA ALA A 13 -2.791 -4.915 -0.019 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.597 -4.504 -2.308 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.446 -3.153 -2.448 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.793 -3.059 -1.288 1.00 0.00 H ATOM 191 N ASN A 14 -0.085 -4.684 -1.641 1.00 0.00 N ATOM 192 CA ASN A 14 0.998 -5.386 -2.282 1.00 0.00 C ATOM 193 C ASN A 14 1.451 -6.558 -1.424 1.00 0.00 C ATOM 194 O ASN A 14 1.877 -7.594 -1.935 1.00 0.00 O ATOM 195 CB ASN A 14 2.170 -4.434 -2.522 1.00 0.00 C ATOM 196 CG ASN A 14 3.263 -5.144 -3.315 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.236 -6.366 -3.450 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.225 -4.445 -3.852 1.00 0.00 N ATOM 199 H ASN A 14 0.000 -3.740 -1.435 1.00 0.00 H ATOM 200 HA ASN A 14 0.641 -5.743 -3.223 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.825 -3.573 -3.077 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.570 -4.111 -1.573 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.242 -3.468 -3.744 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.931 -4.899 -4.363 1.00 0.00 H ATOM 205 N PHE A 15 1.337 -6.384 -0.114 1.00 0.00 N ATOM 206 CA PHE A 15 1.714 -7.421 0.831 1.00 0.00 C ATOM 207 C PHE A 15 0.472 -8.219 1.195 1.00 0.00 C ATOM 208 O PHE A 15 0.531 -9.240 1.877 1.00 0.00 O ATOM 209 CB PHE A 15 2.332 -6.765 2.076 1.00 0.00 C ATOM 210 CG PHE A 15 1.443 -6.979 3.283 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.398 -8.231 3.902 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.659 -5.928 3.774 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.571 -8.436 5.012 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.167 -6.135 4.888 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.210 -7.387 5.505 1.00 0.00 C ATOM 216 H PHE A 15 0.966 -5.541 0.229 1.00 0.00 H ATOM 217 HA PHE A 15 2.439 -8.075 0.374 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.301 -7.197 2.264 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.440 -5.704 1.896 1.00 0.00 H ATOM 220 HD1 PHE A 15 2.001 -9.041 3.524 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.693 -4.960 3.298 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.536 -9.401 5.485 1.00 0.00 H ATOM 223 HE2 PHE A 15 -0.771 -5.329 5.271 1.00 0.00 H ATOM 224 HZ PHE A 15 -0.848 -7.546 6.361 1.00 0.00 H ATOM 225 N LEU A 16 -0.650 -7.704 0.728 1.00 0.00 N ATOM 226 CA LEU A 16 -1.942 -8.291 0.985 1.00 0.00 C ATOM 227 C LEU A 16 -2.410 -9.066 -0.235 1.00 0.00 C ATOM 228 O LEU A 16 -3.357 -9.849 -0.165 1.00 0.00 O ATOM 229 CB LEU A 16 -2.903 -7.147 1.271 1.00 0.00 C ATOM 230 CG LEU A 16 -3.847 -7.497 2.408 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.122 -7.269 3.734 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.067 -6.575 2.327 1.00 0.00 C ATOM 233 H LEU A 16 -0.611 -6.886 0.197 1.00 0.00 H ATOM 234 HA LEU A 16 -1.890 -8.941 1.841 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.333 -6.280 1.554 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.469 -6.927 0.383 1.00 0.00 H ATOM 237 HG LEU A 16 -4.157 -8.528 2.326 1.00 0.00 H ATOM 238 HD11 LEU A 16 -3.788 -7.517 4.560 1.00 0.00 H ATOM 239 HD12 LEU A 16 -2.823 -6.224 3.810 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.237 -7.904 3.779 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.745 -5.537 2.417 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.757 -6.812 3.137 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.568 -6.718 1.370 1.00 0.00 H ATOM 244 N VAL A 17 -1.738 -8.830 -1.352 1.00 0.00 N ATOM 245 CA VAL A 17 -2.090 -9.498 -2.590 1.00 0.00 C ATOM 246 C VAL A 17 -1.484 -10.897 -2.640 1.00 0.00 C ATOM 247 O VAL A 17 -2.132 -11.850 -3.074 1.00 0.00 O ATOM 248 CB VAL A 17 -1.599 -8.681 -3.784 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.087 -8.854 -3.935 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.298 -9.170 -5.055 1.00 0.00 C ATOM 251 H VAL A 17 -0.997 -8.189 -1.345 1.00 0.00 H ATOM 252 HA VAL A 17 -3.161 -9.575 -2.640 1.00 0.00 H ATOM 253 HB VAL A 17 -1.827 -7.637 -3.624 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.263 -8.271 -4.787 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.144 -9.907 -4.096 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.411 -8.508 -3.029 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.067 -10.223 -5.215 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.949 -8.589 -5.909 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.376 -9.047 -4.948 1.00 0.00 H ATOM 260 N HIS A 18 -0.237 -11.013 -2.194 1.00 0.00 N ATOM 261 CA HIS A 18 0.449 -12.301 -2.196 1.00 0.00 C ATOM 262 C HIS A 18 -0.370 -13.350 -1.449 1.00 0.00 C ATOM 263 O HIS A 18 -0.591 -14.451 -1.953 1.00 0.00 O ATOM 264 CB HIS A 18 1.821 -12.162 -1.537 1.00 0.00 C ATOM 265 CG HIS A 18 2.817 -11.666 -2.548 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.748 -12.504 -3.141 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.040 -10.421 -3.083 1.00 0.00 C ATOM 268 CE1 HIS A 18 4.482 -11.761 -3.988 1.00 0.00 C ATOM 269 NE2 HIS A 18 4.092 -10.483 -3.991 1.00 0.00 N ATOM 270 H HIS A 18 0.230 -10.218 -1.862 1.00 0.00 H ATOM 271 HA HIS A 18 0.584 -12.623 -3.216 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.760 -11.461 -0.718 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.140 -13.124 -1.163 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.483 -9.528 -2.835 1.00 0.00 H ATOM 275 HE1 HIS A 18 5.288 -12.149 -4.593 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.466 -9.747 -4.520 1.00 0.00 H ATOM 277 N SER A 19 -0.818 -13.004 -0.246 1.00 0.00 N ATOM 278 CA SER A 19 -1.609 -13.928 0.557 1.00 0.00 C ATOM 279 C SER A 19 -2.483 -13.169 1.549 1.00 0.00 C ATOM 280 O SER A 19 -2.159 -13.091 2.735 1.00 0.00 O ATOM 281 CB SER A 19 -0.685 -14.883 1.313 1.00 0.00 C ATOM 282 OG SER A 19 -1.467 -15.754 2.120 1.00 0.00 O ATOM 283 H SER A 19 -0.611 -12.113 0.109 1.00 0.00 H ATOM 284 HA SER A 19 -2.243 -14.507 -0.099 1.00 0.00 H ATOM 285 HB2 SER A 19 -0.114 -15.467 0.610 1.00 0.00 H ATOM 286 HB3 SER A 19 -0.009 -14.311 1.935 1.00 0.00 H ATOM 287 HG SER A 19 -0.867 -16.306 2.626 1.00 0.00 H HETATM 288 N NH2 A 20 -3.581 -12.601 1.132 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -4.149 -12.110 1.763 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -3.839 -12.665 0.189 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 4 ATOM 1 N LYS A 1 2.967 12.375 -0.647 1.00 0.00 N ATOM 2 CA LYS A 1 2.271 11.911 0.586 1.00 0.00 C ATOM 3 C LYS A 1 1.322 10.774 0.229 1.00 0.00 C ATOM 4 O LYS A 1 0.670 10.200 1.101 1.00 0.00 O ATOM 5 CB LYS A 1 1.486 13.077 1.194 1.00 0.00 C ATOM 6 CG LYS A 1 2.100 13.458 2.541 1.00 0.00 C ATOM 7 CD LYS A 1 1.320 14.626 3.146 1.00 0.00 C ATOM 8 CE LYS A 1 2.172 15.895 3.092 1.00 0.00 C ATOM 9 NZ LYS A 1 1.543 16.953 3.931 1.00 0.00 N ATOM 10 H1 LYS A 1 3.752 11.729 -0.866 1.00 0.00 H ATOM 11 H2 LYS A 1 3.342 13.335 -0.493 1.00 0.00 H ATOM 12 H3 LYS A 1 2.297 12.388 -1.441 1.00 0.00 H ATOM 13 HA LYS A 1 3.002 11.559 1.299 1.00 0.00 H ATOM 14 HB2 LYS A 1 1.525 13.925 0.524 1.00 0.00 H ATOM 15 HB3 LYS A 1 0.457 12.782 1.341 1.00 0.00 H ATOM 16 HG2 LYS A 1 2.057 12.611 3.209 1.00 0.00 H ATOM 17 HG3 LYS A 1 3.129 13.752 2.398 1.00 0.00 H ATOM 18 HD2 LYS A 1 0.408 14.780 2.587 1.00 0.00 H ATOM 19 HD3 LYS A 1 1.078 14.403 4.175 1.00 0.00 H ATOM 20 HE2 LYS A 1 3.163 15.679 3.465 1.00 0.00 H ATOM 21 HE3 LYS A 1 2.239 16.237 2.070 1.00 0.00 H ATOM 22 HZ1 LYS A 1 0.575 16.670 4.178 1.00 0.00 H ATOM 23 HZ2 LYS A 1 1.521 17.849 3.400 1.00 0.00 H ATOM 24 HZ3 LYS A 1 2.098 17.080 4.801 1.00 0.00 H ATOM 25 N CYS A 2 1.252 10.452 -1.058 1.00 0.00 N ATOM 26 CA CYS A 2 0.380 9.379 -1.519 1.00 0.00 C ATOM 27 C CYS A 2 0.690 8.081 -0.772 1.00 0.00 C ATOM 28 O CYS A 2 -0.218 7.395 -0.304 1.00 0.00 O ATOM 29 CB CYS A 2 0.556 9.181 -3.030 1.00 0.00 C ATOM 30 SG CYS A 2 -0.094 7.565 -3.522 1.00 0.00 S ATOM 31 H CYS A 2 1.796 10.945 -1.707 1.00 0.00 H ATOM 32 HA CYS A 2 -0.644 9.656 -1.324 1.00 0.00 H ATOM 33 HB2 CYS A 2 0.021 9.957 -3.558 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.605 9.237 -3.280 1.00 0.00 H ATOM 35 N ASN A 3 1.977 7.748 -0.660 1.00 0.00 N ATOM 36 CA ASN A 3 2.381 6.529 0.039 1.00 0.00 C ATOM 37 C ASN A 3 1.645 6.410 1.364 1.00 0.00 C ATOM 38 O ASN A 3 0.957 5.425 1.617 1.00 0.00 O ATOM 39 CB ASN A 3 3.890 6.551 0.294 1.00 0.00 C ATOM 40 CG ASN A 3 4.630 5.911 -0.875 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.653 6.466 -1.974 1.00 0.00 O ATOM 42 ND2 ASN A 3 5.242 4.771 -0.704 1.00 0.00 N ATOM 43 H ASN A 3 2.663 8.331 -1.050 1.00 0.00 H ATOM 44 HA ASN A 3 2.146 5.668 -0.564 1.00 0.00 H ATOM 45 HB2 ASN A 3 4.218 7.574 0.410 1.00 0.00 H ATOM 46 HB3 ASN A 3 4.108 6.002 1.199 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.223 4.331 0.176 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.721 4.355 -1.455 1.00 0.00 H ATOM 49 N THR A 4 1.787 7.423 2.204 1.00 0.00 N ATOM 50 CA THR A 4 1.124 7.427 3.500 1.00 0.00 C ATOM 51 C THR A 4 -0.373 7.701 3.357 1.00 0.00 C ATOM 52 O THR A 4 -1.160 7.352 4.238 1.00 0.00 O ATOM 53 CB THR A 4 1.750 8.495 4.397 1.00 0.00 C ATOM 54 OG1 THR A 4 0.999 8.600 5.599 1.00 0.00 O ATOM 55 CG2 THR A 4 1.746 9.841 3.673 1.00 0.00 C ATOM 56 H THR A 4 2.345 8.187 1.947 1.00 0.00 H ATOM 57 HA THR A 4 1.259 6.462 3.964 1.00 0.00 H ATOM 58 HB THR A 4 2.767 8.219 4.631 1.00 0.00 H ATOM 59 HG1 THR A 4 0.076 8.715 5.361 1.00 0.00 H ATOM 60 HG21 THR A 4 2.322 9.760 2.751 1.00 0.00 H ATOM 61 HG22 THR A 4 2.193 10.601 4.315 1.00 0.00 H ATOM 62 HG23 THR A 4 0.720 10.124 3.436 1.00 0.00 H ATOM 63 N ALA A 5 -0.755 8.372 2.273 1.00 0.00 N ATOM 64 CA ALA A 5 -2.155 8.733 2.072 1.00 0.00 C ATOM 65 C ALA A 5 -2.903 7.808 1.107 1.00 0.00 C ATOM 66 O ALA A 5 -3.828 7.103 1.511 1.00 0.00 O ATOM 67 CB ALA A 5 -2.239 10.168 1.551 1.00 0.00 C ATOM 68 H ALA A 5 -0.082 8.660 1.621 1.00 0.00 H ATOM 69 HA ALA A 5 -2.655 8.700 3.028 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.284 10.440 1.400 1.00 0.00 H ATOM 71 HB2 ALA A 5 -1.704 10.243 0.604 1.00 0.00 H ATOM 72 HB3 ALA A 5 -1.789 10.845 2.277 1.00 0.00 H ATOM 73 N THR A 6 -2.554 7.865 -0.179 1.00 0.00 N ATOM 74 CA THR A 6 -3.270 7.074 -1.182 1.00 0.00 C ATOM 75 C THR A 6 -2.637 5.711 -1.471 1.00 0.00 C ATOM 76 O THR A 6 -3.290 4.681 -1.307 1.00 0.00 O ATOM 77 CB THR A 6 -3.353 7.873 -2.487 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.823 9.175 -2.275 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.812 7.985 -2.935 1.00 0.00 C ATOM 80 H THR A 6 -1.847 8.481 -0.461 1.00 0.00 H ATOM 81 HA THR A 6 -4.276 6.911 -0.827 1.00 0.00 H ATOM 82 HB THR A 6 -2.784 7.373 -3.255 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.556 9.529 -3.126 1.00 0.00 H ATOM 84 HG21 THR A 6 -5.220 6.987 -3.097 1.00 0.00 H ATOM 85 HG22 THR A 6 -4.865 8.554 -3.863 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.391 8.493 -2.164 1.00 0.00 H ATOM 87 N CYS A 7 -1.390 5.695 -1.930 1.00 0.00 N ATOM 88 CA CYS A 7 -0.754 4.423 -2.259 1.00 0.00 C ATOM 89 C CYS A 7 -0.508 3.590 -1.004 1.00 0.00 C ATOM 90 O CYS A 7 -0.125 2.422 -1.089 1.00 0.00 O ATOM 91 CB CYS A 7 0.554 4.623 -3.040 1.00 0.00 C ATOM 92 SG CYS A 7 1.243 6.268 -2.748 1.00 0.00 S ATOM 93 H CYS A 7 -0.910 6.534 -2.069 1.00 0.00 H ATOM 94 HA CYS A 7 -1.436 3.875 -2.889 1.00 0.00 H ATOM 95 HB2 CYS A 7 1.270 3.879 -2.729 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.354 4.503 -4.096 1.00 0.00 H ATOM 97 N ALA A 8 -0.743 4.192 0.154 1.00 0.00 N ATOM 98 CA ALA A 8 -0.558 3.498 1.425 1.00 0.00 C ATOM 99 C ALA A 8 -1.336 2.183 1.443 1.00 0.00 C ATOM 100 O ALA A 8 -1.004 1.270 2.200 1.00 0.00 O ATOM 101 CB ALA A 8 -1.034 4.383 2.578 1.00 0.00 C ATOM 102 H ALA A 8 -1.054 5.121 0.156 1.00 0.00 H ATOM 103 HA ALA A 8 0.491 3.284 1.559 1.00 0.00 H ATOM 104 HB1 ALA A 8 -0.892 3.858 3.522 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.091 4.614 2.447 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.458 5.309 2.588 1.00 0.00 H ATOM 107 N THR A 9 -2.363 2.092 0.604 1.00 0.00 N ATOM 108 CA THR A 9 -3.176 0.885 0.524 1.00 0.00 C ATOM 109 C THR A 9 -2.577 -0.040 -0.516 1.00 0.00 C ATOM 110 O THR A 9 -2.820 -1.246 -0.538 1.00 0.00 O ATOM 111 CB THR A 9 -4.613 1.240 0.138 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.079 2.292 0.971 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.513 0.015 0.311 1.00 0.00 C ATOM 114 H THR A 9 -2.567 2.841 0.010 1.00 0.00 H ATOM 115 HA THR A 9 -3.178 0.397 1.480 1.00 0.00 H ATOM 116 HB THR A 9 -4.641 1.560 -0.893 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.478 2.368 1.716 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.157 -0.792 -0.330 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.535 0.273 0.035 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.489 -0.310 1.351 1.00 0.00 H ATOM 121 N GLN A 10 -1.789 0.574 -1.375 1.00 0.00 N ATOM 122 CA GLN A 10 -1.114 -0.111 -2.456 1.00 0.00 C ATOM 123 C GLN A 10 -0.006 -0.990 -1.908 1.00 0.00 C ATOM 124 O GLN A 10 0.055 -2.187 -2.189 1.00 0.00 O ATOM 125 CB GLN A 10 -0.536 0.938 -3.402 1.00 0.00 C ATOM 126 CG GLN A 10 -0.432 0.385 -4.820 1.00 0.00 C ATOM 127 CD GLN A 10 0.902 -0.327 -5.011 1.00 0.00 C ATOM 128 OE1 GLN A 10 0.963 -1.369 -5.663 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.982 0.176 -4.480 1.00 0.00 N ATOM 130 H GLN A 10 -1.648 1.530 -1.266 1.00 0.00 H ATOM 131 HA GLN A 10 -1.826 -0.722 -2.988 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.184 1.799 -3.407 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.443 1.232 -3.056 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.242 -0.307 -4.998 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.506 1.203 -5.516 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.930 1.010 -3.960 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.845 -0.278 -4.602 1.00 0.00 H ATOM 138 N ARG A 11 0.858 -0.387 -1.101 1.00 0.00 N ATOM 139 CA ARG A 11 1.947 -1.127 -0.495 1.00 0.00 C ATOM 140 C ARG A 11 1.355 -2.115 0.491 1.00 0.00 C ATOM 141 O ARG A 11 1.859 -3.223 0.671 1.00 0.00 O ATOM 142 CB ARG A 11 2.901 -0.174 0.227 1.00 0.00 C ATOM 143 CG ARG A 11 2.107 0.999 0.808 1.00 0.00 C ATOM 144 CD ARG A 11 2.716 1.411 2.149 1.00 0.00 C ATOM 145 NE ARG A 11 4.139 1.688 1.991 1.00 0.00 N ATOM 146 CZ ARG A 11 4.836 2.277 2.959 1.00 0.00 C ATOM 147 NH1 ARG A 11 4.247 2.616 4.072 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.108 2.514 2.794 1.00 0.00 N ATOM 149 H ARG A 11 0.745 0.565 -0.898 1.00 0.00 H ATOM 150 HA ARG A 11 2.487 -1.665 -1.261 1.00 0.00 H ATOM 151 HB2 ARG A 11 3.402 -0.701 1.026 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.632 0.203 -0.472 1.00 0.00 H ATOM 153 HG2 ARG A 11 2.141 1.832 0.122 1.00 0.00 H ATOM 154 HG3 ARG A 11 1.080 0.698 0.958 1.00 0.00 H ATOM 155 HD2 ARG A 11 2.218 2.299 2.508 1.00 0.00 H ATOM 156 HD3 ARG A 11 2.581 0.613 2.863 1.00 0.00 H ATOM 157 HE ARG A 11 4.590 1.436 1.159 1.00 0.00 H ATOM 158 HH11 ARG A 11 3.272 2.433 4.197 1.00 0.00 H ATOM 159 HH12 ARG A 11 4.769 3.059 4.800 1.00 0.00 H ATOM 160 HH21 ARG A 11 6.560 2.252 1.942 1.00 0.00 H ATOM 161 HH22 ARG A 11 6.633 2.955 3.522 1.00 0.00 H ATOM 162 N LEU A 12 0.261 -1.696 1.112 1.00 0.00 N ATOM 163 CA LEU A 12 -0.433 -2.536 2.064 1.00 0.00 C ATOM 164 C LEU A 12 -1.107 -3.697 1.334 1.00 0.00 C ATOM 165 O LEU A 12 -1.142 -4.825 1.819 1.00 0.00 O ATOM 166 CB LEU A 12 -1.454 -1.695 2.837 1.00 0.00 C ATOM 167 CG LEU A 12 -2.749 -2.478 3.071 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.458 -3.692 3.949 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.760 -1.571 3.776 1.00 0.00 C ATOM 170 H LEU A 12 -0.096 -0.805 0.908 1.00 0.00 H ATOM 171 HA LEU A 12 0.284 -2.923 2.750 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.032 -1.414 3.790 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.671 -0.808 2.274 1.00 0.00 H ATOM 174 HG LEU A 12 -3.158 -2.803 2.127 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.380 -4.250 4.116 1.00 0.00 H ATOM 176 HD12 LEU A 12 -2.056 -3.361 4.907 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.730 -4.334 3.453 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.351 -1.244 4.732 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.685 -2.121 3.946 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.965 -0.701 3.152 1.00 0.00 H ATOM 181 N ALA A 13 -1.614 -3.408 0.146 1.00 0.00 N ATOM 182 CA ALA A 13 -2.252 -4.411 -0.670 1.00 0.00 C ATOM 183 C ALA A 13 -1.185 -5.283 -1.254 1.00 0.00 C ATOM 184 O ALA A 13 -1.371 -6.467 -1.508 1.00 0.00 O ATOM 185 CB ALA A 13 -3.080 -3.762 -1.783 1.00 0.00 C ATOM 186 H ALA A 13 -1.527 -2.511 -0.204 1.00 0.00 H ATOM 187 HA ALA A 13 -2.880 -5.003 -0.058 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.552 -4.538 -2.385 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.429 -3.157 -2.415 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.849 -3.128 -1.342 1.00 0.00 H ATOM 191 N ASN A 14 -0.068 -4.648 -1.475 1.00 0.00 N ATOM 192 CA ASN A 14 1.079 -5.308 -2.055 1.00 0.00 C ATOM 193 C ASN A 14 1.550 -6.454 -1.171 1.00 0.00 C ATOM 194 O ASN A 14 2.179 -7.395 -1.648 1.00 0.00 O ATOM 195 CB ASN A 14 2.223 -4.316 -2.267 1.00 0.00 C ATOM 196 CG ASN A 14 3.420 -5.026 -2.888 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.710 -4.837 -4.069 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.141 -5.836 -2.160 1.00 0.00 N ATOM 199 H ASN A 14 -0.024 -3.707 -1.241 1.00 0.00 H ATOM 200 HA ASN A 14 0.781 -5.695 -3.005 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.893 -3.532 -2.926 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.512 -3.892 -1.317 1.00 0.00 H ATOM 203 HD21 ASN A 14 3.908 -5.984 -1.216 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.914 -6.296 -2.558 1.00 0.00 H ATOM 205 N PHE A 15 1.232 -6.376 0.115 1.00 0.00 N ATOM 206 CA PHE A 15 1.616 -7.421 1.049 1.00 0.00 C ATOM 207 C PHE A 15 0.468 -8.396 1.186 1.00 0.00 C ATOM 208 O PHE A 15 0.629 -9.552 1.571 1.00 0.00 O ATOM 209 CB PHE A 15 1.928 -6.787 2.419 1.00 0.00 C ATOM 210 CG PHE A 15 0.829 -7.109 3.424 1.00 0.00 C ATOM 211 CD1 PHE A 15 0.662 -8.422 3.887 1.00 0.00 C ATOM 212 CD2 PHE A 15 -0.026 -6.097 3.886 1.00 0.00 C ATOM 213 CE1 PHE A 15 -0.351 -8.721 4.804 1.00 0.00 C ATOM 214 CE2 PHE A 15 -1.039 -6.402 4.807 1.00 0.00 C ATOM 215 CZ PHE A 15 -1.200 -7.711 5.263 1.00 0.00 C ATOM 216 H PHE A 15 0.707 -5.611 0.445 1.00 0.00 H ATOM 217 HA PHE A 15 2.489 -7.934 0.682 1.00 0.00 H ATOM 218 HB2 PHE A 15 2.869 -7.167 2.782 1.00 0.00 H ATOM 219 HB3 PHE A 15 1.998 -5.714 2.302 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.312 -9.204 3.539 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.093 -5.086 3.536 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.478 -9.732 5.155 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.696 -5.625 5.164 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.982 -7.945 5.971 1.00 0.00 H ATOM 225 N LEU A 16 -0.697 -7.868 0.905 1.00 0.00 N ATOM 226 CA LEU A 16 -1.925 -8.595 1.033 1.00 0.00 C ATOM 227 C LEU A 16 -2.443 -9.060 -0.318 1.00 0.00 C ATOM 228 O LEU A 16 -3.423 -9.803 -0.400 1.00 0.00 O ATOM 229 CB LEU A 16 -2.891 -7.636 1.707 1.00 0.00 C ATOM 230 CG LEU A 16 -4.332 -7.968 1.350 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.263 -7.290 2.358 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.627 -7.436 -0.058 1.00 0.00 C ATOM 233 H LEU A 16 -0.741 -6.931 0.629 1.00 0.00 H ATOM 234 HA LEU A 16 -1.774 -9.447 1.674 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.748 -7.690 2.767 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.669 -6.631 1.380 1.00 0.00 H ATOM 237 HG LEU A 16 -4.479 -9.036 1.377 1.00 0.00 H ATOM 238 HD11 LEU A 16 -6.299 -7.522 2.110 1.00 0.00 H ATOM 239 HD12 LEU A 16 -5.115 -6.211 2.322 1.00 0.00 H ATOM 240 HD13 LEU A 16 -5.040 -7.653 3.361 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.481 -6.356 -0.077 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.658 -7.668 -0.326 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.952 -7.906 -0.773 1.00 0.00 H ATOM 244 N VAL A 17 -1.782 -8.620 -1.380 1.00 0.00 N ATOM 245 CA VAL A 17 -2.190 -9.000 -2.719 1.00 0.00 C ATOM 246 C VAL A 17 -1.777 -10.439 -3.008 1.00 0.00 C ATOM 247 O VAL A 17 -2.523 -11.199 -3.627 1.00 0.00 O ATOM 248 CB VAL A 17 -1.561 -8.066 -3.755 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.038 -8.154 -3.667 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.014 -8.482 -5.158 1.00 0.00 C ATOM 251 H VAL A 17 -1.008 -8.031 -1.256 1.00 0.00 H ATOM 252 HA VAL A 17 -3.260 -8.919 -2.780 1.00 0.00 H ATOM 253 HB VAL A 17 -1.874 -7.051 -3.563 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.408 -7.488 -4.406 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.279 -9.178 -3.863 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.286 -7.859 -2.669 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.698 -9.507 -5.353 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.566 -7.817 -5.897 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.100 -8.418 -5.223 1.00 0.00 H ATOM 260 N HIS A 18 -0.583 -10.806 -2.555 1.00 0.00 N ATOM 261 CA HIS A 18 -0.077 -12.156 -2.767 1.00 0.00 C ATOM 262 C HIS A 18 -0.540 -13.081 -1.645 1.00 0.00 C ATOM 263 O HIS A 18 -1.135 -14.128 -1.898 1.00 0.00 O ATOM 264 CB HIS A 18 1.452 -12.146 -2.836 1.00 0.00 C ATOM 265 CG HIS A 18 2.016 -11.576 -1.563 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.121 -12.324 -0.403 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.518 -10.335 -1.258 1.00 0.00 C ATOM 268 CE1 HIS A 18 2.668 -11.536 0.542 1.00 0.00 C ATOM 269 NE2 HIS A 18 2.929 -10.312 0.073 1.00 0.00 N ATOM 270 H HIS A 18 -0.035 -10.155 -2.065 1.00 0.00 H ATOM 271 HA HIS A 18 -0.463 -12.528 -3.704 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.812 -13.155 -2.969 1.00 0.00 H ATOM 273 HB3 HIS A 18 1.769 -11.540 -3.671 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.588 -9.503 -1.945 1.00 0.00 H ATOM 275 HE1 HIS A 18 2.874 -11.855 1.552 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.324 -9.560 0.561 1.00 0.00 H ATOM 277 N SER A 19 -0.266 -12.685 -0.407 1.00 0.00 N ATOM 278 CA SER A 19 -0.664 -13.485 0.748 1.00 0.00 C ATOM 279 C SER A 19 -2.111 -13.189 1.129 1.00 0.00 C ATOM 280 O SER A 19 -2.389 -12.203 1.811 1.00 0.00 O ATOM 281 CB SER A 19 0.249 -13.182 1.936 1.00 0.00 C ATOM 282 OG SER A 19 0.526 -11.789 1.972 1.00 0.00 O ATOM 283 H SER A 19 0.208 -11.838 -0.265 1.00 0.00 H ATOM 284 HA SER A 19 -0.574 -14.532 0.495 1.00 0.00 H ATOM 285 HB2 SER A 19 -0.241 -13.471 2.851 1.00 0.00 H ATOM 286 HB3 SER A 19 1.171 -13.740 1.831 1.00 0.00 H ATOM 287 HG SER A 19 0.410 -11.488 2.876 1.00 0.00 H HETATM 288 N NH2 A 20 -3.059 -13.991 0.725 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -3.991 -13.807 0.965 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.837 -14.776 0.181 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 5 ATOM 1 N LYS A 1 3.931 11.665 -0.798 1.00 0.00 N ATOM 2 CA LYS A 1 2.695 12.075 -0.073 1.00 0.00 C ATOM 3 C LYS A 1 1.585 11.068 -0.357 1.00 0.00 C ATOM 4 O LYS A 1 0.537 11.090 0.287 1.00 0.00 O ATOM 5 CB LYS A 1 2.269 13.469 -0.540 1.00 0.00 C ATOM 6 CG LYS A 1 3.508 14.354 -0.714 1.00 0.00 C ATOM 7 CD LYS A 1 3.119 15.821 -0.513 1.00 0.00 C ATOM 8 CE LYS A 1 4.382 16.685 -0.492 1.00 0.00 C ATOM 9 NZ LYS A 1 5.260 16.307 -1.635 1.00 0.00 N ATOM 10 H1 LYS A 1 4.700 11.514 -0.116 1.00 0.00 H ATOM 11 H2 LYS A 1 4.203 12.414 -1.469 1.00 0.00 H ATOM 12 H3 LYS A 1 3.752 10.782 -1.317 1.00 0.00 H ATOM 13 HA LYS A 1 2.895 12.098 0.989 1.00 0.00 H ATOM 14 HB2 LYS A 1 1.749 13.389 -1.484 1.00 0.00 H ATOM 15 HB3 LYS A 1 1.615 13.912 0.196 1.00 0.00 H ATOM 16 HG2 LYS A 1 4.253 14.075 0.014 1.00 0.00 H ATOM 17 HG3 LYS A 1 3.907 14.223 -1.708 1.00 0.00 H ATOM 18 HD2 LYS A 1 2.477 16.137 -1.322 1.00 0.00 H ATOM 19 HD3 LYS A 1 2.596 15.929 0.425 1.00 0.00 H ATOM 20 HE2 LYS A 1 4.106 17.725 -0.576 1.00 0.00 H ATOM 21 HE3 LYS A 1 4.910 16.525 0.436 1.00 0.00 H ATOM 22 HZ1 LYS A 1 4.711 15.761 -2.329 1.00 0.00 H ATOM 23 HZ2 LYS A 1 6.053 15.731 -1.286 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.627 17.167 -2.088 1.00 0.00 H ATOM 25 N CYS A 2 1.823 10.191 -1.325 1.00 0.00 N ATOM 26 CA CYS A 2 0.836 9.181 -1.689 1.00 0.00 C ATOM 27 C CYS A 2 0.845 8.029 -0.685 1.00 0.00 C ATOM 28 O CYS A 2 -0.166 7.740 -0.047 1.00 0.00 O ATOM 29 CB CYS A 2 1.135 8.642 -3.090 1.00 0.00 C ATOM 30 SG CYS A 2 -0.362 7.899 -3.785 1.00 0.00 S ATOM 31 H CYS A 2 2.677 10.223 -1.804 1.00 0.00 H ATOM 32 HA CYS A 2 -0.144 9.633 -1.691 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.462 9.452 -3.724 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.912 7.895 -3.029 1.00 0.00 H ATOM 35 N ASN A 3 1.996 7.371 -0.560 1.00 0.00 N ATOM 36 CA ASN A 3 2.128 6.245 0.361 1.00 0.00 C ATOM 37 C ASN A 3 1.510 6.585 1.708 1.00 0.00 C ATOM 38 O ASN A 3 1.030 5.707 2.424 1.00 0.00 O ATOM 39 CB ASN A 3 3.608 5.910 0.555 1.00 0.00 C ATOM 40 CG ASN A 3 4.376 7.168 0.946 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.043 8.264 0.495 1.00 0.00 O ATOM 42 ND2 ASN A 3 5.389 7.077 1.763 1.00 0.00 N ATOM 43 H ASN A 3 2.767 7.643 -1.099 1.00 0.00 H ATOM 44 HA ASN A 3 1.626 5.384 -0.049 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.709 5.171 1.336 1.00 0.00 H ATOM 46 HB3 ASN A 3 4.012 5.518 -0.366 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.653 6.202 2.123 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.888 7.887 2.018 1.00 0.00 H ATOM 49 N THR A 4 1.535 7.864 2.049 1.00 0.00 N ATOM 50 CA THR A 4 0.986 8.318 3.316 1.00 0.00 C ATOM 51 C THR A 4 -0.542 8.276 3.324 1.00 0.00 C ATOM 52 O THR A 4 -1.150 7.878 4.318 1.00 0.00 O ATOM 53 CB THR A 4 1.457 9.746 3.600 1.00 0.00 C ATOM 54 OG1 THR A 4 2.875 9.798 3.516 1.00 0.00 O ATOM 55 CG2 THR A 4 1.011 10.166 5.000 1.00 0.00 C ATOM 56 H THR A 4 1.939 8.515 1.438 1.00 0.00 H ATOM 57 HA THR A 4 1.352 7.676 4.101 1.00 0.00 H ATOM 58 HB THR A 4 1.030 10.418 2.872 1.00 0.00 H ATOM 59 HG1 THR A 4 3.156 9.165 2.850 1.00 0.00 H ATOM 60 HG21 THR A 4 -0.076 10.125 5.063 1.00 0.00 H ATOM 61 HG22 THR A 4 1.348 11.183 5.199 1.00 0.00 H ATOM 62 HG23 THR A 4 1.443 9.490 5.738 1.00 0.00 H ATOM 63 N ALA A 5 -1.168 8.724 2.234 1.00 0.00 N ATOM 64 CA ALA A 5 -2.628 8.761 2.180 1.00 0.00 C ATOM 65 C ALA A 5 -3.245 7.586 1.413 1.00 0.00 C ATOM 66 O ALA A 5 -3.902 6.733 2.010 1.00 0.00 O ATOM 67 CB ALA A 5 -3.080 10.071 1.535 1.00 0.00 C ATOM 68 H ALA A 5 -0.644 9.060 1.478 1.00 0.00 H ATOM 69 HA ALA A 5 -3.004 8.741 3.191 1.00 0.00 H ATOM 70 HB1 ALA A 5 -4.169 10.100 1.494 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.677 10.137 0.524 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.717 10.912 2.126 1.00 0.00 H ATOM 73 N THR A 6 -3.085 7.567 0.088 1.00 0.00 N ATOM 74 CA THR A 6 -3.696 6.507 -0.717 1.00 0.00 C ATOM 75 C THR A 6 -2.735 5.362 -1.033 1.00 0.00 C ATOM 76 O THR A 6 -2.991 4.214 -0.668 1.00 0.00 O ATOM 77 CB THR A 6 -4.218 7.097 -2.031 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.120 7.533 -2.821 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.138 8.282 -1.732 1.00 0.00 C ATOM 80 H THR A 6 -2.586 8.288 -0.351 1.00 0.00 H ATOM 81 HA THR A 6 -4.536 6.104 -0.173 1.00 0.00 H ATOM 82 HB THR A 6 -4.772 6.343 -2.568 1.00 0.00 H ATOM 83 HG1 THR A 6 -3.447 8.188 -3.443 1.00 0.00 H ATOM 84 HG21 THR A 6 -5.980 7.945 -1.127 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.508 8.700 -2.668 1.00 0.00 H ATOM 86 HG23 THR A 6 -4.582 9.046 -1.188 1.00 0.00 H ATOM 87 N CYS A 7 -1.642 5.665 -1.726 1.00 0.00 N ATOM 88 CA CYS A 7 -0.684 4.626 -2.091 1.00 0.00 C ATOM 89 C CYS A 7 -0.342 3.766 -0.876 1.00 0.00 C ATOM 90 O CYS A 7 0.321 2.735 -0.997 1.00 0.00 O ATOM 91 CB CYS A 7 0.584 5.250 -2.676 1.00 0.00 C ATOM 92 SG CYS A 7 0.196 6.017 -4.268 1.00 0.00 S ATOM 93 H CYS A 7 -1.487 6.590 -2.010 1.00 0.00 H ATOM 94 HA CYS A 7 -1.134 3.996 -2.842 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.963 5.998 -2.004 1.00 0.00 H ATOM 96 HB3 CYS A 7 1.330 4.483 -2.819 1.00 0.00 H ATOM 97 N ALA A 8 -0.804 4.202 0.289 1.00 0.00 N ATOM 98 CA ALA A 8 -0.555 3.476 1.532 1.00 0.00 C ATOM 99 C ALA A 8 -1.296 2.139 1.549 1.00 0.00 C ATOM 100 O ALA A 8 -0.905 1.220 2.265 1.00 0.00 O ATOM 101 CB ALA A 8 -1.005 4.318 2.726 1.00 0.00 C ATOM 102 H ALA A 8 -1.327 5.029 0.316 1.00 0.00 H ATOM 103 HA ALA A 8 0.505 3.290 1.620 1.00 0.00 H ATOM 104 HB1 ALA A 8 -0.816 3.770 3.649 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.071 4.529 2.641 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.449 5.256 2.740 1.00 0.00 H ATOM 107 N THR A 9 -2.362 2.040 0.757 1.00 0.00 N ATOM 108 CA THR A 9 -3.154 0.817 0.682 1.00 0.00 C ATOM 109 C THR A 9 -2.592 -0.068 -0.411 1.00 0.00 C ATOM 110 O THR A 9 -2.817 -1.279 -0.453 1.00 0.00 O ATOM 111 CB THR A 9 -4.613 1.158 0.369 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.097 2.080 1.336 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.460 -0.115 0.406 1.00 0.00 C ATOM 114 H THR A 9 -2.613 2.799 0.198 1.00 0.00 H ATOM 115 HA THR A 9 -3.105 0.304 1.622 1.00 0.00 H ATOM 116 HB THR A 9 -4.677 1.601 -0.612 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.436 2.159 2.028 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.088 -0.822 -0.336 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.498 0.132 0.183 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.399 -0.564 1.397 1.00 0.00 H ATOM 121 N GLN A 10 -1.861 0.583 -1.290 1.00 0.00 N ATOM 122 CA GLN A 10 -1.230 -0.062 -2.422 1.00 0.00 C ATOM 123 C GLN A 10 -0.080 -0.931 -1.950 1.00 0.00 C ATOM 124 O GLN A 10 -0.011 -2.120 -2.261 1.00 0.00 O ATOM 125 CB GLN A 10 -0.725 1.024 -3.366 1.00 0.00 C ATOM 126 CG GLN A 10 -0.717 0.519 -4.806 1.00 0.00 C ATOM 127 CD GLN A 10 0.555 -0.275 -5.080 1.00 0.00 C ATOM 128 OE1 GLN A 10 1.579 0.301 -5.448 1.00 0.00 O ATOM 129 NE2 GLN A 10 0.551 -1.571 -4.924 1.00 0.00 N ATOM 130 H GLN A 10 -1.732 1.537 -1.162 1.00 0.00 H ATOM 131 HA GLN A 10 -1.955 -0.673 -2.935 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.374 1.882 -3.295 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.275 1.311 -3.078 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.580 -0.109 -4.974 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.762 1.366 -5.470 1.00 0.00 H ATOM 136 HE21 GLN A 10 -0.269 -2.028 -4.631 1.00 0.00 H ATOM 137 HE22 GLN A 10 1.369 -2.089 -5.102 1.00 0.00 H ATOM 138 N ARG A 11 0.810 -0.327 -1.173 1.00 0.00 N ATOM 139 CA ARG A 11 1.943 -1.056 -0.633 1.00 0.00 C ATOM 140 C ARG A 11 1.423 -2.063 0.373 1.00 0.00 C ATOM 141 O ARG A 11 1.938 -3.172 0.497 1.00 0.00 O ATOM 142 CB ARG A 11 2.917 -0.092 0.047 1.00 0.00 C ATOM 143 CG ARG A 11 4.169 -0.855 0.485 1.00 0.00 C ATOM 144 CD ARG A 11 5.049 0.059 1.338 1.00 0.00 C ATOM 145 NE ARG A 11 6.457 -0.268 1.142 1.00 0.00 N ATOM 146 CZ ARG A 11 7.104 -1.068 1.987 1.00 0.00 C ATOM 147 NH1 ARG A 11 6.480 -1.579 3.012 1.00 0.00 N ATOM 148 NH2 ARG A 11 8.364 -1.343 1.785 1.00 0.00 N ATOM 149 H ARG A 11 0.687 0.618 -0.942 1.00 0.00 H ATOM 150 HA ARG A 11 2.450 -1.575 -1.432 1.00 0.00 H ATOM 151 HB2 ARG A 11 3.193 0.689 -0.646 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.444 0.346 0.914 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.878 -1.720 1.062 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.720 -1.170 -0.387 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.881 1.086 1.054 1.00 0.00 H ATOM 156 HD3 ARG A 11 4.792 -0.069 2.379 1.00 0.00 H ATOM 157 HE ARG A 11 6.935 0.108 0.374 1.00 0.00 H ATOM 158 HH11 ARG A 11 5.514 -1.371 3.165 1.00 0.00 H ATOM 159 HH12 ARG A 11 6.969 -2.180 3.645 1.00 0.00 H ATOM 160 HH21 ARG A 11 8.841 -0.955 0.998 1.00 0.00 H ATOM 161 HH22 ARG A 11 8.851 -1.945 2.421 1.00 0.00 H ATOM 162 N LEU A 12 0.378 -1.659 1.081 1.00 0.00 N ATOM 163 CA LEU A 12 -0.240 -2.522 2.067 1.00 0.00 C ATOM 164 C LEU A 12 -0.961 -3.673 1.368 1.00 0.00 C ATOM 165 O LEU A 12 -0.973 -4.804 1.851 1.00 0.00 O ATOM 166 CB LEU A 12 -1.205 -1.707 2.931 1.00 0.00 C ATOM 167 CG LEU A 12 -2.425 -2.540 3.325 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.979 -3.738 4.160 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.375 -1.671 4.149 1.00 0.00 C ATOM 170 H LEU A 12 0.008 -0.765 0.926 1.00 0.00 H ATOM 171 HA LEU A 12 0.530 -2.919 2.689 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.693 -1.381 3.825 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.525 -0.849 2.377 1.00 0.00 H ATOM 174 HG LEU A 12 -2.931 -2.886 2.440 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.850 -4.331 4.440 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.475 -3.387 5.060 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.294 -4.353 3.577 1.00 0.00 H ATOM 178 HD21 LEU A 12 -2.863 -1.322 5.046 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.249 -2.257 4.435 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.692 -0.814 3.555 1.00 0.00 H ATOM 181 N ALA A 13 -1.537 -3.369 0.211 1.00 0.00 N ATOM 182 CA ALA A 13 -2.241 -4.346 -0.587 1.00 0.00 C ATOM 183 C ALA A 13 -1.231 -5.246 -1.237 1.00 0.00 C ATOM 184 O ALA A 13 -1.465 -6.428 -1.488 1.00 0.00 O ATOM 185 CB ALA A 13 -3.095 -3.659 -1.653 1.00 0.00 C ATOM 186 H ALA A 13 -1.463 -2.468 -0.129 1.00 0.00 H ATOM 187 HA ALA A 13 -2.859 -4.920 0.043 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.617 -4.413 -2.243 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.454 -3.067 -2.306 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.824 -3.007 -1.171 1.00 0.00 H ATOM 191 N ASN A 14 -0.112 -4.634 -1.512 1.00 0.00 N ATOM 192 CA ASN A 14 0.988 -5.312 -2.154 1.00 0.00 C ATOM 193 C ASN A 14 1.428 -6.508 -1.324 1.00 0.00 C ATOM 194 O ASN A 14 1.882 -7.520 -1.857 1.00 0.00 O ATOM 195 CB ASN A 14 2.163 -4.355 -2.352 1.00 0.00 C ATOM 196 CG ASN A 14 3.256 -5.034 -3.170 1.00 0.00 C ATOM 197 OD1 ASN A 14 4.239 -5.522 -2.611 1.00 0.00 O ATOM 198 ND2 ASN A 14 3.144 -5.095 -4.468 1.00 0.00 N ATOM 199 H ASN A 14 -0.033 -3.698 -1.270 1.00 0.00 H ATOM 200 HA ASN A 14 0.647 -5.647 -3.112 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.822 -3.472 -2.872 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.561 -4.073 -1.391 1.00 0.00 H ATOM 203 HD21 ASN A 14 2.357 -4.704 -4.912 1.00 0.00 H ATOM 204 HD22 ASN A 14 3.846 -5.533 -5.002 1.00 0.00 H ATOM 205 N PHE A 15 1.267 -6.387 -0.011 1.00 0.00 N ATOM 206 CA PHE A 15 1.623 -7.461 0.898 1.00 0.00 C ATOM 207 C PHE A 15 0.377 -8.286 1.162 1.00 0.00 C ATOM 208 O PHE A 15 0.413 -9.346 1.787 1.00 0.00 O ATOM 209 CB PHE A 15 2.174 -6.862 2.204 1.00 0.00 C ATOM 210 CG PHE A 15 1.239 -7.152 3.359 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.173 -8.441 3.899 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.432 -6.135 3.877 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.301 -8.710 4.959 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.443 -6.406 4.939 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.508 -7.694 5.479 1.00 0.00 C ATOM 216 H PHE A 15 0.873 -5.563 0.352 1.00 0.00 H ATOM 217 HA PHE A 15 2.377 -8.083 0.440 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.144 -7.287 2.410 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.272 -5.791 2.084 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.796 -9.226 3.501 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.483 -5.141 3.462 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.248 -9.703 5.373 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.067 -5.624 5.340 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.181 -7.905 6.295 1.00 0.00 H ATOM 225 N LEU A 16 -0.725 -7.751 0.674 1.00 0.00 N ATOM 226 CA LEU A 16 -2.023 -8.358 0.829 1.00 0.00 C ATOM 227 C LEU A 16 -2.422 -9.050 -0.462 1.00 0.00 C ATOM 228 O LEU A 16 -3.331 -9.879 -0.485 1.00 0.00 O ATOM 229 CB LEU A 16 -3.005 -7.238 1.145 1.00 0.00 C ATOM 230 CG LEU A 16 -3.996 -7.661 2.215 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.364 -7.426 3.588 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.253 -6.803 2.078 1.00 0.00 C ATOM 233 H LEU A 16 -0.665 -6.904 0.190 1.00 0.00 H ATOM 234 HA LEU A 16 -2.006 -9.065 1.642 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.450 -6.388 1.508 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.531 -6.966 0.249 1.00 0.00 H ATOM 237 HG LEU A 16 -4.245 -8.706 2.097 1.00 0.00 H ATOM 238 HD11 LEU A 16 -4.065 -7.726 4.367 1.00 0.00 H ATOM 239 HD12 LEU A 16 -3.125 -6.369 3.702 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.452 -8.016 3.674 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.992 -5.753 2.207 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.977 -7.093 2.840 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.688 -6.950 1.089 1.00 0.00 H ATOM 244 N VAL A 17 -1.732 -8.690 -1.537 1.00 0.00 N ATOM 245 CA VAL A 17 -2.014 -9.268 -2.837 1.00 0.00 C ATOM 246 C VAL A 17 -1.402 -10.661 -2.944 1.00 0.00 C ATOM 247 O VAL A 17 -2.007 -11.576 -3.502 1.00 0.00 O ATOM 248 CB VAL A 17 -1.455 -8.370 -3.944 1.00 0.00 C ATOM 249 CG1 VAL A 17 0.063 -8.542 -4.022 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.080 -8.755 -5.288 1.00 0.00 C ATOM 251 H VAL A 17 -1.021 -8.019 -1.453 1.00 0.00 H ATOM 252 HA VAL A 17 -3.080 -9.340 -2.950 1.00 0.00 H ATOM 253 HB VAL A 17 -1.688 -7.339 -3.719 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.462 -7.903 -4.810 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.300 -9.582 -4.244 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.510 -8.263 -3.068 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.845 -9.795 -5.514 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.679 -8.113 -6.073 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.162 -8.631 -5.235 1.00 0.00 H ATOM 260 N HIS A 18 -0.199 -10.811 -2.400 1.00 0.00 N ATOM 261 CA HIS A 18 0.491 -12.094 -2.431 1.00 0.00 C ATOM 262 C HIS A 18 -0.107 -13.043 -1.400 1.00 0.00 C ATOM 263 O HIS A 18 -0.093 -14.261 -1.578 1.00 0.00 O ATOM 264 CB HIS A 18 1.979 -11.893 -2.140 1.00 0.00 C ATOM 265 CG HIS A 18 2.643 -11.256 -3.332 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.915 -11.965 -4.492 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.099 -9.982 -3.557 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.509 -11.120 -5.355 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.645 -9.897 -4.835 1.00 0.00 N ATOM 270 H HIS A 18 0.232 -10.044 -1.966 1.00 0.00 H ATOM 271 HA HIS A 18 0.382 -12.528 -3.414 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.093 -11.250 -1.281 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.439 -12.848 -1.941 1.00 0.00 H ATOM 274 HD2 HIS A 18 3.042 -9.166 -2.851 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.836 -11.396 -6.347 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.046 -9.111 -5.261 1.00 0.00 H ATOM 277 N SER A 19 -0.632 -12.472 -0.318 1.00 0.00 N ATOM 278 CA SER A 19 -1.234 -13.271 0.742 1.00 0.00 C ATOM 279 C SER A 19 -2.603 -13.788 0.312 1.00 0.00 C ATOM 280 O SER A 19 -3.542 -13.008 0.149 1.00 0.00 O ATOM 281 CB SER A 19 -1.380 -12.428 2.008 1.00 0.00 C ATOM 282 OG SER A 19 -2.318 -11.386 1.772 1.00 0.00 O ATOM 283 H SER A 19 -0.612 -11.497 -0.234 1.00 0.00 H ATOM 284 HA SER A 19 -0.593 -14.113 0.955 1.00 0.00 H ATOM 285 HB2 SER A 19 -1.733 -13.046 2.818 1.00 0.00 H ATOM 286 HB3 SER A 19 -0.419 -12.007 2.272 1.00 0.00 H ATOM 287 HG SER A 19 -2.452 -11.320 0.823 1.00 0.00 H HETATM 288 N NH2 A 20 -2.775 -15.067 0.121 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -3.653 -15.407 -0.155 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.029 -15.688 0.251 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 6 ATOM 1 N LYS A 1 4.476 10.660 -0.004 1.00 0.00 N ATOM 2 CA LYS A 1 3.255 11.513 -0.017 1.00 0.00 C ATOM 3 C LYS A 1 2.027 10.639 -0.243 1.00 0.00 C ATOM 4 O LYS A 1 1.130 10.581 0.597 1.00 0.00 O ATOM 5 CB LYS A 1 3.370 12.548 -1.140 1.00 0.00 C ATOM 6 CG LYS A 1 2.460 13.739 -0.834 1.00 0.00 C ATOM 7 CD LYS A 1 3.291 14.885 -0.254 1.00 0.00 C ATOM 8 CE LYS A 1 2.454 16.165 -0.233 1.00 0.00 C ATOM 9 NZ LYS A 1 1.409 16.055 0.824 1.00 0.00 N ATOM 10 H1 LYS A 1 5.143 10.998 -0.727 1.00 0.00 H ATOM 11 H2 LYS A 1 4.211 9.674 -0.212 1.00 0.00 H ATOM 12 H3 LYS A 1 4.926 10.711 0.930 1.00 0.00 H ATOM 13 HA LYS A 1 3.164 12.023 0.930 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.394 12.884 -1.214 1.00 0.00 H ATOM 15 HB3 LYS A 1 3.072 12.099 -2.074 1.00 0.00 H ATOM 16 HG2 LYS A 1 1.979 14.067 -1.746 1.00 0.00 H ATOM 17 HG3 LYS A 1 1.709 13.442 -0.118 1.00 0.00 H ATOM 18 HD2 LYS A 1 3.595 14.635 0.752 1.00 0.00 H ATOM 19 HD3 LYS A 1 4.167 15.040 -0.867 1.00 0.00 H ATOM 20 HE2 LYS A 1 3.093 17.009 -0.023 1.00 0.00 H ATOM 21 HE3 LYS A 1 1.981 16.300 -1.193 1.00 0.00 H ATOM 22 HZ1 LYS A 1 1.842 15.718 1.707 1.00 0.00 H ATOM 23 HZ2 LYS A 1 0.675 15.384 0.519 1.00 0.00 H ATOM 24 HZ3 LYS A 1 0.982 16.989 0.985 1.00 0.00 H ATOM 25 N CYS A 2 1.996 9.962 -1.385 1.00 0.00 N ATOM 26 CA CYS A 2 0.873 9.092 -1.720 1.00 0.00 C ATOM 27 C CYS A 2 0.759 7.943 -0.721 1.00 0.00 C ATOM 28 O CYS A 2 -0.275 7.770 -0.077 1.00 0.00 O ATOM 29 CB CYS A 2 1.062 8.529 -3.129 1.00 0.00 C ATOM 30 SG CYS A 2 -0.531 7.966 -3.775 1.00 0.00 S ATOM 31 H CYS A 2 2.740 10.049 -2.017 1.00 0.00 H ATOM 32 HA CYS A 2 -0.038 9.669 -1.694 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.459 9.299 -3.773 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.752 7.699 -3.095 1.00 0.00 H ATOM 35 N ASN A 3 1.827 7.158 -0.602 1.00 0.00 N ATOM 36 CA ASN A 3 1.830 6.023 0.318 1.00 0.00 C ATOM 37 C ASN A 3 1.266 6.432 1.669 1.00 0.00 C ATOM 38 O ASN A 3 0.694 5.616 2.390 1.00 0.00 O ATOM 39 CB ASN A 3 3.259 5.506 0.499 1.00 0.00 C ATOM 40 CG ASN A 3 4.108 5.899 -0.704 1.00 0.00 C ATOM 41 OD1 ASN A 3 5.316 6.104 -0.572 1.00 0.00 O ATOM 42 ND2 ASN A 3 3.548 6.018 -1.875 1.00 0.00 N ATOM 43 H ASN A 3 2.622 7.341 -1.144 1.00 0.00 H ATOM 44 HA ASN A 3 1.221 5.231 -0.092 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.683 5.936 1.395 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.241 4.431 0.589 1.00 0.00 H ATOM 47 HD21 ASN A 3 2.583 5.854 -1.976 1.00 0.00 H ATOM 48 HD22 ASN A 3 4.091 6.271 -2.656 1.00 0.00 H ATOM 49 N THR A 4 1.443 7.699 2.008 1.00 0.00 N ATOM 50 CA THR A 4 0.960 8.216 3.281 1.00 0.00 C ATOM 51 C THR A 4 -0.562 8.344 3.298 1.00 0.00 C ATOM 52 O THR A 4 -1.200 8.042 4.306 1.00 0.00 O ATOM 53 CB THR A 4 1.589 9.583 3.554 1.00 0.00 C ATOM 54 OG1 THR A 4 2.871 9.641 2.947 1.00 0.00 O ATOM 55 CG2 THR A 4 1.726 9.790 5.063 1.00 0.00 C ATOM 56 H THR A 4 1.914 8.300 1.394 1.00 0.00 H ATOM 57 HA THR A 4 1.259 7.538 4.064 1.00 0.00 H ATOM 58 HB THR A 4 0.960 10.357 3.144 1.00 0.00 H ATOM 59 HG1 THR A 4 2.797 10.159 2.142 1.00 0.00 H ATOM 60 HG21 THR A 4 0.741 9.745 5.527 1.00 0.00 H ATOM 61 HG22 THR A 4 2.174 10.764 5.257 1.00 0.00 H ATOM 62 HG23 THR A 4 2.361 9.009 5.481 1.00 0.00 H ATOM 63 N ALA A 5 -1.140 8.829 2.200 1.00 0.00 N ATOM 64 CA ALA A 5 -2.588 9.024 2.152 1.00 0.00 C ATOM 65 C ALA A 5 -3.327 7.901 1.420 1.00 0.00 C ATOM 66 O ALA A 5 -4.055 7.127 2.043 1.00 0.00 O ATOM 67 CB ALA A 5 -2.898 10.356 1.465 1.00 0.00 C ATOM 68 H ALA A 5 -0.589 9.084 1.431 1.00 0.00 H ATOM 69 HA ALA A 5 -2.959 9.075 3.163 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.977 10.504 1.428 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.498 10.344 0.451 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.439 11.170 2.026 1.00 0.00 H ATOM 73 N THR A 6 -3.181 7.839 0.097 1.00 0.00 N ATOM 74 CA THR A 6 -3.894 6.826 -0.685 1.00 0.00 C ATOM 75 C THR A 6 -3.038 5.601 -1.005 1.00 0.00 C ATOM 76 O THR A 6 -3.387 4.481 -0.633 1.00 0.00 O ATOM 77 CB THR A 6 -4.387 7.447 -1.994 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.271 7.785 -2.804 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.200 8.705 -1.691 1.00 0.00 C ATOM 80 H THR A 6 -2.616 8.497 -0.361 1.00 0.00 H ATOM 81 HA THR A 6 -4.755 6.504 -0.122 1.00 0.00 H ATOM 82 HB THR A 6 -5.010 6.738 -2.516 1.00 0.00 H ATOM 83 HG1 THR A 6 -3.575 8.378 -3.496 1.00 0.00 H ATOM 84 HG21 THR A 6 -6.057 8.444 -1.069 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.550 9.146 -2.624 1.00 0.00 H ATOM 86 HG23 THR A 6 -4.574 9.424 -1.163 1.00 0.00 H ATOM 87 N CYS A 7 -1.936 5.813 -1.716 1.00 0.00 N ATOM 88 CA CYS A 7 -1.069 4.702 -2.098 1.00 0.00 C ATOM 89 C CYS A 7 -0.733 3.829 -0.893 1.00 0.00 C ATOM 90 O CYS A 7 -0.148 2.755 -1.033 1.00 0.00 O ATOM 91 CB CYS A 7 0.214 5.228 -2.744 1.00 0.00 C ATOM 92 SG CYS A 7 -0.193 6.048 -4.305 1.00 0.00 S ATOM 93 H CYS A 7 -1.713 6.723 -2.005 1.00 0.00 H ATOM 94 HA CYS A 7 -1.593 4.100 -2.823 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.686 5.933 -2.084 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.886 4.405 -2.935 1.00 0.00 H ATOM 97 N ALA A 8 -1.108 4.299 0.290 1.00 0.00 N ATOM 98 CA ALA A 8 -0.847 3.563 1.523 1.00 0.00 C ATOM 99 C ALA A 8 -1.501 2.181 1.498 1.00 0.00 C ATOM 100 O ALA A 8 -1.069 1.276 2.206 1.00 0.00 O ATOM 101 CB ALA A 8 -1.378 4.351 2.722 1.00 0.00 C ATOM 102 H ALA A 8 -1.571 5.162 0.336 1.00 0.00 H ATOM 103 HA ALA A 8 0.221 3.442 1.638 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.180 3.796 3.639 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.452 4.500 2.613 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.881 5.320 2.770 1.00 0.00 H ATOM 107 N THR A 9 -2.540 2.030 0.680 1.00 0.00 N ATOM 108 CA THR A 9 -3.249 0.760 0.564 1.00 0.00 C ATOM 109 C THR A 9 -2.621 -0.066 -0.538 1.00 0.00 C ATOM 110 O THR A 9 -2.798 -1.282 -0.625 1.00 0.00 O ATOM 111 CB THR A 9 -4.725 1.008 0.243 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.189 2.130 0.984 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.542 -0.227 0.621 1.00 0.00 C ATOM 114 H THR A 9 -2.826 2.780 0.127 1.00 0.00 H ATOM 115 HA THR A 9 -3.179 0.232 1.494 1.00 0.00 H ATOM 116 HB THR A 9 -4.838 1.201 -0.811 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.498 2.796 0.977 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.186 -1.087 0.053 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.593 -0.052 0.393 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.430 -0.425 1.687 1.00 0.00 H ATOM 121 N GLN A 10 -1.902 0.641 -1.383 1.00 0.00 N ATOM 122 CA GLN A 10 -1.229 0.057 -2.525 1.00 0.00 C ATOM 123 C GLN A 10 -0.063 -0.807 -2.079 1.00 0.00 C ATOM 124 O GLN A 10 0.040 -1.976 -2.454 1.00 0.00 O ATOM 125 CB GLN A 10 -0.733 1.197 -3.412 1.00 0.00 C ATOM 126 CG GLN A 10 -0.620 0.737 -4.863 1.00 0.00 C ATOM 127 CD GLN A 10 0.750 0.118 -5.111 1.00 0.00 C ATOM 128 OE1 GLN A 10 1.330 -0.492 -4.212 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.308 0.240 -6.285 1.00 0.00 N ATOM 130 H GLN A 10 -1.820 1.596 -1.229 1.00 0.00 H ATOM 131 HA GLN A 10 -1.930 -0.545 -3.078 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.435 2.014 -3.357 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.230 1.530 -3.063 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.390 0.011 -5.073 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.750 1.591 -5.507 1.00 0.00 H ATOM 136 HE21 GLN A 10 0.842 0.731 -7.000 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.193 -0.155 -6.452 1.00 0.00 H ATOM 138 N ARG A 11 0.804 -0.228 -1.263 1.00 0.00 N ATOM 139 CA ARG A 11 1.948 -0.963 -0.753 1.00 0.00 C ATOM 140 C ARG A 11 1.460 -1.962 0.276 1.00 0.00 C ATOM 141 O ARG A 11 2.015 -3.050 0.429 1.00 0.00 O ATOM 142 CB ARG A 11 2.952 -0.002 -0.112 1.00 0.00 C ATOM 143 CG ARG A 11 3.956 0.464 -1.168 1.00 0.00 C ATOM 144 CD ARG A 11 5.076 -0.569 -1.301 1.00 0.00 C ATOM 145 NE ARG A 11 6.079 -0.107 -2.253 1.00 0.00 N ATOM 146 CZ ARG A 11 6.734 -0.962 -3.031 1.00 0.00 C ATOM 147 NH1 ARG A 11 6.488 -2.241 -2.946 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.625 -0.524 -3.878 1.00 0.00 N ATOM 149 H ARG A 11 0.659 0.701 -0.983 1.00 0.00 H ATOM 150 HA ARG A 11 2.426 -1.490 -1.565 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.427 0.852 0.289 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.477 -0.508 0.683 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.453 0.574 -2.119 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.377 1.412 -0.871 1.00 0.00 H ATOM 155 HD2 ARG A 11 5.540 -0.718 -0.338 1.00 0.00 H ATOM 156 HD3 ARG A 11 4.658 -1.506 -1.644 1.00 0.00 H ATOM 157 HE ARG A 11 6.273 0.851 -2.320 1.00 0.00 H ATOM 158 HH11 ARG A 11 5.806 -2.577 -2.298 1.00 0.00 H ATOM 159 HH12 ARG A 11 6.981 -2.885 -3.531 1.00 0.00 H ATOM 160 HH21 ARG A 11 7.814 0.457 -3.942 1.00 0.00 H ATOM 161 HH22 ARG A 11 8.115 -1.168 -4.465 1.00 0.00 H ATOM 162 N LEU A 12 0.398 -1.579 0.969 1.00 0.00 N ATOM 163 CA LEU A 12 -0.192 -2.437 1.974 1.00 0.00 C ATOM 164 C LEU A 12 -0.871 -3.635 1.309 1.00 0.00 C ATOM 165 O LEU A 12 -0.831 -4.754 1.818 1.00 0.00 O ATOM 166 CB LEU A 12 -1.190 -1.633 2.806 1.00 0.00 C ATOM 167 CG LEU A 12 -2.360 -2.510 3.249 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.837 -3.666 4.097 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.333 -1.669 4.077 1.00 0.00 C ATOM 170 H LEU A 12 -0.004 -0.701 0.789 1.00 0.00 H ATOM 171 HA LEU A 12 0.588 -2.786 2.615 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.691 -1.237 3.678 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.558 -0.822 2.214 1.00 0.00 H ATOM 174 HG LEU A 12 -2.870 -2.901 2.384 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.671 -4.292 4.413 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.327 -3.271 4.975 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.139 -4.262 3.509 1.00 0.00 H ATOM 178 HD21 LEU A 12 -2.819 -1.275 4.954 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.170 -2.290 4.396 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.705 -0.842 3.472 1.00 0.00 H ATOM 181 N ALA A 13 -1.474 -3.380 0.151 1.00 0.00 N ATOM 182 CA ALA A 13 -2.146 -4.407 -0.613 1.00 0.00 C ATOM 183 C ALA A 13 -1.112 -5.284 -1.251 1.00 0.00 C ATOM 184 O ALA A 13 -1.308 -6.481 -1.469 1.00 0.00 O ATOM 185 CB ALA A 13 -3.036 -3.779 -1.689 1.00 0.00 C ATOM 186 H ALA A 13 -1.445 -2.485 -0.208 1.00 0.00 H ATOM 187 HA ALA A 13 -2.736 -4.986 0.038 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.534 -4.567 -2.254 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.424 -3.180 -2.363 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.784 -3.143 -1.216 1.00 0.00 H ATOM 191 N ASN A 14 -0.017 -4.644 -1.558 1.00 0.00 N ATOM 192 CA ASN A 14 1.094 -5.304 -2.199 1.00 0.00 C ATOM 193 C ASN A 14 1.576 -6.471 -1.349 1.00 0.00 C ATOM 194 O ASN A 14 2.065 -7.475 -1.866 1.00 0.00 O ATOM 195 CB ASN A 14 2.244 -4.321 -2.427 1.00 0.00 C ATOM 196 CG ASN A 14 3.387 -5.017 -3.157 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.792 -6.114 -2.774 1.00 0.00 O ATOM 198 ND2 ASN A 14 3.935 -4.442 -4.193 1.00 0.00 N ATOM 199 H ASN A 14 0.034 -3.699 -1.343 1.00 0.00 H ATOM 200 HA ASN A 14 0.755 -5.666 -3.144 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.893 -3.490 -3.019 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.601 -3.957 -1.475 1.00 0.00 H ATOM 203 HD21 ASN A 14 3.610 -3.565 -4.497 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.671 -4.889 -4.668 1.00 0.00 H ATOM 205 N PHE A 15 1.417 -6.332 -0.040 1.00 0.00 N ATOM 206 CA PHE A 15 1.812 -7.378 0.887 1.00 0.00 C ATOM 207 C PHE A 15 0.591 -8.228 1.200 1.00 0.00 C ATOM 208 O PHE A 15 0.665 -9.251 1.878 1.00 0.00 O ATOM 209 CB PHE A 15 2.382 -6.730 2.159 1.00 0.00 C ATOM 210 CG PHE A 15 1.480 -6.998 3.347 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.452 -8.266 3.935 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.666 -5.976 3.850 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.612 -8.515 5.025 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.174 -6.226 4.942 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.201 -7.495 5.529 1.00 0.00 C ATOM 216 H PHE A 15 0.999 -5.516 0.311 1.00 0.00 H ATOM 217 HA PHE A 15 2.570 -7.994 0.428 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.362 -7.133 2.357 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.459 -5.663 2.005 1.00 0.00 H ATOM 220 HD1 PHE A 15 2.080 -9.056 3.548 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.688 -4.995 3.398 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.588 -9.493 5.474 1.00 0.00 H ATOM 223 HE2 PHE A 15 -0.801 -5.441 5.334 1.00 0.00 H ATOM 224 HZ PHE A 15 -0.850 -7.688 6.371 1.00 0.00 H ATOM 225 N LEU A 16 -0.534 -7.754 0.701 1.00 0.00 N ATOM 226 CA LEU A 16 -1.808 -8.393 0.914 1.00 0.00 C ATOM 227 C LEU A 16 -2.229 -9.162 -0.326 1.00 0.00 C ATOM 228 O LEU A 16 -3.006 -10.114 -0.251 1.00 0.00 O ATOM 229 CB LEU A 16 -2.810 -7.286 1.204 1.00 0.00 C ATOM 230 CG LEU A 16 -3.793 -7.703 2.283 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.195 -7.364 3.648 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.091 -6.918 2.084 1.00 0.00 C ATOM 233 H LEU A 16 -0.512 -6.931 0.177 1.00 0.00 H ATOM 234 HA LEU A 16 -1.752 -9.057 1.760 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.271 -6.415 1.545 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.343 -7.046 0.302 1.00 0.00 H ATOM 237 HG LEU A 16 -3.988 -8.764 2.216 1.00 0.00 H ATOM 238 HD11 LEU A 16 -3.891 -7.658 4.433 1.00 0.00 H ATOM 239 HD12 LEU A 16 -3.012 -6.291 3.709 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.255 -7.900 3.777 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.886 -5.850 2.160 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.811 -7.204 2.851 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.503 -7.139 1.099 1.00 0.00 H ATOM 244 N VAL A 17 -1.718 -8.731 -1.473 1.00 0.00 N ATOM 245 CA VAL A 17 -2.052 -9.376 -2.728 1.00 0.00 C ATOM 246 C VAL A 17 -1.409 -10.755 -2.811 1.00 0.00 C ATOM 247 O VAL A 17 -2.044 -11.725 -3.227 1.00 0.00 O ATOM 248 CB VAL A 17 -1.589 -8.519 -3.908 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.072 -8.355 -3.851 1.00 0.00 C ATOM 250 CG2 VAL A 17 -1.978 -9.203 -5.219 1.00 0.00 C ATOM 251 H VAL A 17 -1.109 -7.962 -1.473 1.00 0.00 H ATOM 252 HA VAL A 17 -3.120 -9.482 -2.776 1.00 0.00 H ATOM 253 HB VAL A 17 -2.059 -7.547 -3.851 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.260 -7.745 -4.691 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.402 -9.335 -3.905 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.206 -7.868 -2.916 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.503 -10.182 -5.273 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.648 -8.593 -6.060 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.061 -9.322 -5.260 1.00 0.00 H ATOM 260 N HIS A 18 -0.145 -10.835 -2.410 1.00 0.00 N ATOM 261 CA HIS A 18 0.577 -12.102 -2.440 1.00 0.00 C ATOM 262 C HIS A 18 0.013 -13.059 -1.396 1.00 0.00 C ATOM 263 O HIS A 18 0.203 -14.272 -1.486 1.00 0.00 O ATOM 264 CB HIS A 18 2.063 -11.862 -2.167 1.00 0.00 C ATOM 265 CG HIS A 18 2.733 -11.380 -3.423 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.880 -12.188 -4.540 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.303 -10.176 -3.756 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.515 -11.467 -5.482 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.797 -10.234 -5.056 1.00 0.00 N ATOM 270 H HIS A 18 0.311 -10.029 -2.087 1.00 0.00 H ATOM 271 HA HIS A 18 0.470 -12.544 -3.419 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.170 -11.116 -1.391 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.523 -12.784 -1.846 1.00 0.00 H ATOM 274 HD2 HIS A 18 3.359 -9.314 -3.106 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.766 -11.841 -6.464 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.254 -9.522 -5.551 1.00 0.00 H ATOM 277 N SER A 19 -0.677 -12.504 -0.406 1.00 0.00 N ATOM 278 CA SER A 19 -1.265 -13.315 0.654 1.00 0.00 C ATOM 279 C SER A 19 -2.738 -12.968 0.841 1.00 0.00 C ATOM 280 O SER A 19 -3.159 -12.602 1.939 1.00 0.00 O ATOM 281 CB SER A 19 -0.513 -13.084 1.964 1.00 0.00 C ATOM 282 OG SER A 19 -1.206 -13.730 3.024 1.00 0.00 O ATOM 283 H SER A 19 -0.795 -11.531 -0.388 1.00 0.00 H ATOM 284 HA SER A 19 -1.182 -14.358 0.384 1.00 0.00 H ATOM 285 HB2 SER A 19 0.480 -13.492 1.889 1.00 0.00 H ATOM 286 HB3 SER A 19 -0.449 -12.021 2.157 1.00 0.00 H ATOM 287 HG SER A 19 -1.541 -14.567 2.692 1.00 0.00 H HETATM 288 N NH2 A 20 -3.553 -13.058 -0.173 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -4.501 -12.836 -0.062 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -3.217 -13.349 -1.047 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 7 ATOM 1 N LYS A 1 4.942 9.656 0.119 1.00 0.00 N ATOM 2 CA LYS A 1 3.860 10.675 0.018 1.00 0.00 C ATOM 3 C LYS A 1 2.524 9.974 -0.194 1.00 0.00 C ATOM 4 O LYS A 1 1.787 9.721 0.759 1.00 0.00 O ATOM 5 CB LYS A 1 4.154 11.611 -1.156 1.00 0.00 C ATOM 6 CG LYS A 1 5.250 12.602 -0.758 1.00 0.00 C ATOM 7 CD LYS A 1 6.216 12.794 -1.928 1.00 0.00 C ATOM 8 CE LYS A 1 6.878 14.170 -1.824 1.00 0.00 C ATOM 9 NZ LYS A 1 7.116 14.500 -0.390 1.00 0.00 N ATOM 10 H1 LYS A 1 5.808 10.024 -0.321 1.00 0.00 H ATOM 11 H2 LYS A 1 4.646 8.786 -0.369 1.00 0.00 H ATOM 12 H3 LYS A 1 5.129 9.446 1.120 1.00 0.00 H ATOM 13 HA LYS A 1 3.822 11.248 0.932 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.482 11.031 -2.007 1.00 0.00 H ATOM 15 HB3 LYS A 1 3.257 12.155 -1.416 1.00 0.00 H ATOM 16 HG2 LYS A 1 4.801 13.551 -0.500 1.00 0.00 H ATOM 17 HG3 LYS A 1 5.790 12.217 0.093 1.00 0.00 H ATOM 18 HD2 LYS A 1 6.976 12.026 -1.896 1.00 0.00 H ATOM 19 HD3 LYS A 1 5.674 12.727 -2.858 1.00 0.00 H ATOM 20 HE2 LYS A 1 7.821 14.157 -2.352 1.00 0.00 H ATOM 21 HE3 LYS A 1 6.231 14.915 -2.263 1.00 0.00 H ATOM 22 HZ1 LYS A 1 7.832 13.855 0.001 1.00 0.00 H ATOM 23 HZ2 LYS A 1 6.227 14.397 0.140 1.00 0.00 H ATOM 24 HZ3 LYS A 1 7.455 15.480 -0.311 1.00 0.00 H ATOM 25 N CYS A 2 2.218 9.657 -1.449 1.00 0.00 N ATOM 26 CA CYS A 2 0.966 8.982 -1.769 1.00 0.00 C ATOM 27 C CYS A 2 0.735 7.814 -0.812 1.00 0.00 C ATOM 28 O CYS A 2 -0.354 7.660 -0.259 1.00 0.00 O ATOM 29 CB CYS A 2 1.007 8.469 -3.211 1.00 0.00 C ATOM 30 SG CYS A 2 -0.650 7.946 -3.717 1.00 0.00 S ATOM 31 H CYS A 2 2.844 9.881 -2.168 1.00 0.00 H ATOM 32 HA CYS A 2 0.153 9.683 -1.670 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.350 9.257 -3.863 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.683 7.629 -3.275 1.00 0.00 H ATOM 35 N ASN A 3 1.769 7.000 -0.619 1.00 0.00 N ATOM 36 CA ASN A 3 1.675 5.851 0.278 1.00 0.00 C ATOM 37 C ASN A 3 1.127 6.272 1.635 1.00 0.00 C ATOM 38 O ASN A 3 0.424 5.511 2.297 1.00 0.00 O ATOM 39 CB ASN A 3 3.057 5.220 0.461 1.00 0.00 C ATOM 40 CG ASN A 3 4.043 6.260 0.985 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.063 6.548 2.182 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.863 6.845 0.156 1.00 0.00 N ATOM 43 H ASN A 3 2.612 7.177 -1.085 1.00 0.00 H ATOM 44 HA ASN A 3 1.013 5.116 -0.150 1.00 0.00 H ATOM 45 HB2 ASN A 3 2.989 4.405 1.166 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.409 4.844 -0.487 1.00 0.00 H ATOM 47 HD21 ASN A 3 4.844 6.612 -0.798 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.501 7.516 0.489 1.00 0.00 H ATOM 49 N THR A 4 1.464 7.484 2.052 1.00 0.00 N ATOM 50 CA THR A 4 1.009 7.989 3.340 1.00 0.00 C ATOM 51 C THR A 4 -0.482 8.323 3.321 1.00 0.00 C ATOM 52 O THR A 4 -1.172 8.127 4.323 1.00 0.00 O ATOM 53 CB THR A 4 1.806 9.238 3.718 1.00 0.00 C ATOM 54 OG1 THR A 4 3.169 9.053 3.363 1.00 0.00 O ATOM 55 CG2 THR A 4 1.697 9.477 5.225 1.00 0.00 C ATOM 56 H THR A 4 2.035 8.046 1.487 1.00 0.00 H ATOM 57 HA THR A 4 1.186 7.233 4.088 1.00 0.00 H ATOM 58 HB THR A 4 1.410 10.093 3.192 1.00 0.00 H ATOM 59 HG1 THR A 4 3.513 9.893 3.054 1.00 0.00 H ATOM 60 HG21 THR A 4 0.651 9.619 5.496 1.00 0.00 H ATOM 61 HG22 THR A 4 2.265 10.367 5.494 1.00 0.00 H ATOM 62 HG23 THR A 4 2.097 8.616 5.760 1.00 0.00 H ATOM 63 N ALA A 5 -0.973 8.858 2.205 1.00 0.00 N ATOM 64 CA ALA A 5 -2.382 9.241 2.128 1.00 0.00 C ATOM 65 C ALA A 5 -3.249 8.214 1.397 1.00 0.00 C ATOM 66 O ALA A 5 -4.074 7.541 2.019 1.00 0.00 O ATOM 67 CB ALA A 5 -2.502 10.592 1.422 1.00 0.00 C ATOM 68 H ALA A 5 -0.380 9.021 1.442 1.00 0.00 H ATOM 69 HA ALA A 5 -2.759 9.353 3.132 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.552 10.880 1.363 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.090 10.515 0.416 1.00 0.00 H ATOM 72 HB3 ALA A 5 -1.950 11.346 1.983 1.00 0.00 H ATOM 73 N THR A 6 -3.100 8.121 0.077 1.00 0.00 N ATOM 74 CA THR A 6 -3.928 7.195 -0.705 1.00 0.00 C ATOM 75 C THR A 6 -3.222 5.878 -1.014 1.00 0.00 C ATOM 76 O THR A 6 -3.698 4.807 -0.639 1.00 0.00 O ATOM 77 CB THR A 6 -4.339 7.862 -2.020 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.223 8.551 -2.571 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.474 8.854 -1.759 1.00 0.00 C ATOM 80 H THR A 6 -2.454 8.699 -0.381 1.00 0.00 H ATOM 81 HA THR A 6 -4.822 6.980 -0.143 1.00 0.00 H ATOM 82 HB THR A 6 -4.676 7.110 -2.715 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.454 8.343 -2.035 1.00 0.00 H ATOM 84 HG21 THR A 6 -6.329 8.326 -1.338 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.766 9.328 -2.696 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.137 9.616 -1.056 1.00 0.00 H ATOM 87 N CYS A 7 -2.101 5.958 -1.723 1.00 0.00 N ATOM 88 CA CYS A 7 -1.365 4.758 -2.101 1.00 0.00 C ATOM 89 C CYS A 7 -1.101 3.867 -0.889 1.00 0.00 C ATOM 90 O CYS A 7 -0.634 2.736 -1.025 1.00 0.00 O ATOM 91 CB CYS A 7 -0.046 5.142 -2.777 1.00 0.00 C ATOM 92 SG CYS A 7 -0.400 6.031 -4.311 1.00 0.00 S ATOM 93 H CYS A 7 -1.779 6.836 -2.014 1.00 0.00 H ATOM 94 HA CYS A 7 -1.961 4.205 -2.808 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.525 5.778 -2.122 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.519 4.250 -3.000 1.00 0.00 H ATOM 97 N ALA A 8 -1.403 4.386 0.296 1.00 0.00 N ATOM 98 CA ALA A 8 -1.198 3.637 1.534 1.00 0.00 C ATOM 99 C ALA A 8 -1.890 2.276 1.491 1.00 0.00 C ATOM 100 O ALA A 8 -1.497 1.356 2.204 1.00 0.00 O ATOM 101 CB ALA A 8 -1.733 4.439 2.722 1.00 0.00 C ATOM 102 H ALA A 8 -1.772 5.293 0.341 1.00 0.00 H ATOM 103 HA ALA A 8 -0.139 3.482 1.673 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.577 3.875 3.642 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.799 4.624 2.586 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.205 5.390 2.786 1.00 0.00 H ATOM 107 N THR A 9 -2.918 2.150 0.657 1.00 0.00 N ATOM 108 CA THR A 9 -3.648 0.893 0.537 1.00 0.00 C ATOM 109 C THR A 9 -3.025 0.053 -0.560 1.00 0.00 C ATOM 110 O THR A 9 -3.182 -1.167 -0.621 1.00 0.00 O ATOM 111 CB THR A 9 -5.118 1.167 0.207 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.810 1.520 1.397 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.753 -0.085 -0.401 1.00 0.00 C ATOM 114 H THR A 9 -3.180 2.908 0.097 1.00 0.00 H ATOM 115 HA THR A 9 -3.591 0.363 1.468 1.00 0.00 H ATOM 116 HB THR A 9 -5.182 1.978 -0.501 1.00 0.00 H ATOM 117 HG1 THR A 9 -5.936 0.721 1.913 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.223 -0.355 -1.314 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.799 0.114 -0.634 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.691 -0.907 0.312 1.00 0.00 H ATOM 121 N GLN A 10 -2.322 0.753 -1.423 1.00 0.00 N ATOM 122 CA GLN A 10 -1.644 0.161 -2.558 1.00 0.00 C ATOM 123 C GLN A 10 -0.440 -0.645 -2.105 1.00 0.00 C ATOM 124 O GLN A 10 -0.287 -1.813 -2.459 1.00 0.00 O ATOM 125 CB GLN A 10 -1.208 1.287 -3.484 1.00 0.00 C ATOM 126 CG GLN A 10 -1.206 0.806 -4.930 1.00 0.00 C ATOM 127 CD GLN A 10 0.016 -0.066 -5.195 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.121 -1.226 -5.583 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.211 0.425 -5.009 1.00 0.00 N ATOM 130 H GLN A 10 -2.250 1.713 -1.284 1.00 0.00 H ATOM 131 HA GLN A 10 -2.330 -0.485 -3.083 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.899 2.110 -3.387 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.221 1.617 -3.207 1.00 0.00 H ATOM 134 HG2 GLN A 10 -2.102 0.237 -5.124 1.00 0.00 H ATOM 135 HG3 GLN A 10 -1.183 1.664 -5.581 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.316 1.353 -4.699 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.003 -0.134 -5.180 1.00 0.00 H ATOM 138 N ARG A 11 0.408 -0.009 -1.307 1.00 0.00 N ATOM 139 CA ARG A 11 1.596 -0.673 -0.793 1.00 0.00 C ATOM 140 C ARG A 11 1.170 -1.693 0.243 1.00 0.00 C ATOM 141 O ARG A 11 1.832 -2.709 0.452 1.00 0.00 O ATOM 142 CB ARG A 11 2.544 0.349 -0.161 1.00 0.00 C ATOM 143 CG ARG A 11 3.119 1.257 -1.252 1.00 0.00 C ATOM 144 CD ARG A 11 4.448 1.849 -0.781 1.00 0.00 C ATOM 145 NE ARG A 11 5.361 0.784 -0.382 1.00 0.00 N ATOM 146 CZ ARG A 11 5.962 0.019 -1.286 1.00 0.00 C ATOM 147 NH1 ARG A 11 5.743 0.215 -2.557 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.772 -0.930 -0.901 1.00 0.00 N ATOM 149 H ARG A 11 0.222 0.916 -1.048 1.00 0.00 H ATOM 150 HA ARG A 11 2.102 -1.176 -1.604 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.002 0.947 0.558 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.351 -0.168 0.336 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.278 0.681 -2.151 1.00 0.00 H ATOM 154 HG3 ARG A 11 2.424 2.057 -1.456 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.893 2.414 -1.587 1.00 0.00 H ATOM 156 HD3 ARG A 11 4.270 2.507 0.058 1.00 0.00 H ATOM 157 HE ARG A 11 5.534 0.631 0.570 1.00 0.00 H ATOM 158 HH11 ARG A 11 5.122 0.943 -2.851 1.00 0.00 H ATOM 159 HH12 ARG A 11 6.194 -0.362 -3.238 1.00 0.00 H ATOM 160 HH21 ARG A 11 6.940 -1.079 0.074 1.00 0.00 H ATOM 161 HH22 ARG A 11 7.225 -1.507 -1.580 1.00 0.00 H ATOM 162 N LEU A 12 0.041 -1.417 0.878 1.00 0.00 N ATOM 163 CA LEU A 12 -0.493 -2.317 1.879 1.00 0.00 C ATOM 164 C LEU A 12 -0.979 -3.595 1.206 1.00 0.00 C ATOM 165 O LEU A 12 -0.887 -4.688 1.759 1.00 0.00 O ATOM 166 CB LEU A 12 -1.633 -1.626 2.640 1.00 0.00 C ATOM 167 CG LEU A 12 -2.825 -2.573 2.826 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.398 -3.768 3.674 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.957 -1.825 3.531 1.00 0.00 C ATOM 170 H LEU A 12 -0.448 -0.597 0.657 1.00 0.00 H ATOM 171 HA LEU A 12 0.289 -2.555 2.568 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.274 -1.313 3.609 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.947 -0.765 2.085 1.00 0.00 H ATOM 174 HG LEU A 12 -3.168 -2.918 1.864 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.245 -4.441 3.806 1.00 0.00 H ATOM 176 HD12 LEU A 12 -2.056 -3.419 4.648 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.588 -4.298 3.174 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.612 -1.477 4.504 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.807 -2.494 3.666 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.260 -0.970 2.926 1.00 0.00 H ATOM 181 N ALA A 13 -1.481 -3.436 -0.011 1.00 0.00 N ATOM 182 CA ALA A 13 -1.966 -4.546 -0.792 1.00 0.00 C ATOM 183 C ALA A 13 -0.796 -5.315 -1.318 1.00 0.00 C ATOM 184 O ALA A 13 -0.841 -6.521 -1.517 1.00 0.00 O ATOM 185 CB ALA A 13 -2.835 -4.051 -1.948 1.00 0.00 C ATOM 186 H ALA A 13 -1.498 -2.553 -0.404 1.00 0.00 H ATOM 187 HA ALA A 13 -2.537 -5.179 -0.167 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.192 -4.903 -2.526 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.246 -3.397 -2.592 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.687 -3.499 -1.552 1.00 0.00 H ATOM 191 N ASN A 14 0.245 -4.571 -1.556 1.00 0.00 N ATOM 192 CA ASN A 14 1.460 -5.131 -2.093 1.00 0.00 C ATOM 193 C ASN A 14 1.974 -6.256 -1.205 1.00 0.00 C ATOM 194 O ASN A 14 2.688 -7.147 -1.665 1.00 0.00 O ATOM 195 CB ASN A 14 2.531 -4.049 -2.226 1.00 0.00 C ATOM 196 CG ASN A 14 3.775 -4.625 -2.893 1.00 0.00 C ATOM 197 OD1 ASN A 14 4.813 -3.966 -2.949 1.00 0.00 O ATOM 198 ND2 ASN A 14 3.732 -5.824 -3.408 1.00 0.00 N ATOM 199 H ASN A 14 0.183 -3.620 -1.368 1.00 0.00 H ATOM 200 HA ASN A 14 1.237 -5.518 -3.065 1.00 0.00 H ATOM 201 HB2 ASN A 14 2.147 -3.238 -2.825 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.792 -3.679 -1.247 1.00 0.00 H ATOM 203 HD21 ASN A 14 2.900 -6.348 -3.362 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.531 -6.200 -3.840 1.00 0.00 H ATOM 205 N PHE A 15 1.601 -6.210 0.067 1.00 0.00 N ATOM 206 CA PHE A 15 2.019 -7.225 1.014 1.00 0.00 C ATOM 207 C PHE A 15 0.930 -8.266 1.150 1.00 0.00 C ATOM 208 O PHE A 15 1.169 -9.430 1.469 1.00 0.00 O ATOM 209 CB PHE A 15 2.278 -6.553 2.374 1.00 0.00 C ATOM 210 CG PHE A 15 1.176 -6.896 3.368 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.025 -8.212 3.830 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.306 -5.899 3.828 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.013 -8.526 4.742 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.708 -6.217 4.743 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.852 -7.529 5.200 1.00 0.00 C ATOM 216 H PHE A 15 1.012 -5.483 0.378 1.00 0.00 H ATOM 217 HA PHE A 15 2.926 -7.691 0.667 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.227 -6.882 2.760 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.303 -5.480 2.232 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.688 -8.985 3.483 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.414 -4.884 3.477 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.102 -9.539 5.092 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.378 -5.450 5.100 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.635 -7.773 5.903 1.00 0.00 H ATOM 225 N LEU A 16 -0.276 -7.789 0.945 1.00 0.00 N ATOM 226 CA LEU A 16 -1.460 -8.583 1.090 1.00 0.00 C ATOM 227 C LEU A 16 -1.947 -9.101 -0.254 1.00 0.00 C ATOM 228 O LEU A 16 -2.890 -9.890 -0.325 1.00 0.00 O ATOM 229 CB LEU A 16 -2.486 -7.667 1.740 1.00 0.00 C ATOM 230 CG LEU A 16 -3.902 -8.117 1.423 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.843 -7.483 2.444 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.274 -7.645 0.013 1.00 0.00 C ATOM 233 H LEU A 16 -0.377 -6.844 0.719 1.00 0.00 H ATOM 234 HA LEU A 16 -1.262 -9.413 1.748 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.333 -7.664 2.803 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.344 -6.666 1.371 1.00 0.00 H ATOM 237 HG LEU A 16 -3.966 -9.194 1.482 1.00 0.00 H ATOM 238 HD11 LEU A 16 -5.867 -7.792 2.236 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.772 -6.397 2.379 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.563 -7.806 3.447 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.216 -6.558 -0.034 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.289 -7.964 -0.222 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.582 -8.077 -0.710 1.00 0.00 H ATOM 244 N VAL A 17 -1.304 -8.648 -1.322 1.00 0.00 N ATOM 245 CA VAL A 17 -1.689 -9.068 -2.656 1.00 0.00 C ATOM 246 C VAL A 17 -1.192 -10.482 -2.936 1.00 0.00 C ATOM 247 O VAL A 17 -1.796 -11.220 -3.716 1.00 0.00 O ATOM 248 CB VAL A 17 -1.123 -8.106 -3.705 1.00 0.00 C ATOM 249 CG1 VAL A 17 0.403 -8.104 -3.629 1.00 0.00 C ATOM 250 CG2 VAL A 17 -1.560 -8.561 -5.099 1.00 0.00 C ATOM 251 H VAL A 17 -0.563 -8.016 -1.208 1.00 0.00 H ATOM 252 HA VAL A 17 -2.759 -9.051 -2.713 1.00 0.00 H ATOM 253 HB VAL A 17 -1.495 -7.110 -3.518 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.804 -7.419 -4.376 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.778 -9.109 -3.820 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.717 -7.782 -2.636 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.185 -9.567 -5.288 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.158 -7.878 -5.847 1.00 0.00 H ATOM 259 HG23 VAL A 17 -2.649 -8.563 -5.157 1.00 0.00 H ATOM 260 N HIS A 18 -0.089 -10.852 -2.293 1.00 0.00 N ATOM 261 CA HIS A 18 0.487 -12.179 -2.478 1.00 0.00 C ATOM 262 C HIS A 18 -0.177 -13.186 -1.540 1.00 0.00 C ATOM 263 O HIS A 18 -0.303 -14.367 -1.871 1.00 0.00 O ATOM 264 CB HIS A 18 1.991 -12.136 -2.199 1.00 0.00 C ATOM 265 CG HIS A 18 2.668 -11.262 -3.220 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.113 -11.758 -4.434 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.987 -9.925 -3.222 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.670 -10.738 -5.112 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.619 -9.598 -4.418 1.00 0.00 N ATOM 270 H HIS A 18 0.347 -10.220 -1.685 1.00 0.00 H ATOM 271 HA HIS A 18 0.330 -12.493 -3.499 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.162 -11.733 -1.210 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.397 -13.135 -2.255 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.773 -9.231 -2.421 1.00 0.00 H ATOM 275 HE1 HIS A 18 4.102 -10.830 -6.096 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.956 -8.719 -4.692 1.00 0.00 H ATOM 277 N SER A 19 -0.598 -12.713 -0.374 1.00 0.00 N ATOM 278 CA SER A 19 -1.248 -13.579 0.605 1.00 0.00 C ATOM 279 C SER A 19 -2.649 -13.071 0.925 1.00 0.00 C ATOM 280 O SER A 19 -2.807 -11.988 1.491 1.00 0.00 O ATOM 281 CB SER A 19 -0.417 -13.630 1.888 1.00 0.00 C ATOM 282 OG SER A 19 -1.102 -12.928 2.918 1.00 0.00 O ATOM 283 H SER A 19 -0.469 -11.763 -0.165 1.00 0.00 H ATOM 284 HA SER A 19 -1.320 -14.576 0.197 1.00 0.00 H ATOM 285 HB2 SER A 19 -0.277 -14.653 2.189 1.00 0.00 H ATOM 286 HB3 SER A 19 0.548 -13.173 1.710 1.00 0.00 H ATOM 287 HG SER A 19 -0.623 -12.114 3.092 1.00 0.00 H HETATM 288 N NH2 A 20 -3.684 -13.792 0.594 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -4.588 -13.473 0.796 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -3.558 -14.654 0.143 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 8 ATOM 1 N LYS A 1 4.352 11.633 -1.896 1.00 0.00 N ATOM 2 CA LYS A 1 4.347 10.457 -0.980 1.00 0.00 C ATOM 3 C LYS A 1 2.912 10.133 -0.580 1.00 0.00 C ATOM 4 O LYS A 1 2.522 10.316 0.572 1.00 0.00 O ATOM 5 CB LYS A 1 5.176 10.780 0.264 1.00 0.00 C ATOM 6 CG LYS A 1 6.402 11.601 -0.141 1.00 0.00 C ATOM 7 CD LYS A 1 6.152 13.080 0.167 1.00 0.00 C ATOM 8 CE LYS A 1 7.169 13.948 -0.580 1.00 0.00 C ATOM 9 NZ LYS A 1 8.303 14.277 0.327 1.00 0.00 N ATOM 10 H1 LYS A 1 5.120 12.278 -1.627 1.00 0.00 H ATOM 11 H2 LYS A 1 3.439 12.127 -1.827 1.00 0.00 H ATOM 12 H3 LYS A 1 4.500 11.310 -2.873 1.00 0.00 H ATOM 13 HA LYS A 1 4.778 9.604 -1.487 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.573 11.348 0.959 1.00 0.00 H ATOM 15 HB3 LYS A 1 5.497 9.863 0.733 1.00 0.00 H ATOM 16 HG2 LYS A 1 7.264 11.257 0.415 1.00 0.00 H ATOM 17 HG3 LYS A 1 6.581 11.479 -1.198 1.00 0.00 H ATOM 18 HD2 LYS A 1 5.152 13.347 -0.145 1.00 0.00 H ATOM 19 HD3 LYS A 1 6.252 13.247 1.229 1.00 0.00 H ATOM 20 HE2 LYS A 1 7.542 13.412 -1.440 1.00 0.00 H ATOM 21 HE3 LYS A 1 6.692 14.861 -0.906 1.00 0.00 H ATOM 22 HZ1 LYS A 1 8.669 15.223 0.097 1.00 0.00 H ATOM 23 HZ2 LYS A 1 9.059 13.573 0.206 1.00 0.00 H ATOM 24 HZ3 LYS A 1 7.973 14.266 1.313 1.00 0.00 H ATOM 25 N CYS A 2 2.131 9.652 -1.541 1.00 0.00 N ATOM 26 CA CYS A 2 0.739 9.304 -1.280 1.00 0.00 C ATOM 27 C CYS A 2 0.646 8.130 -0.307 1.00 0.00 C ATOM 28 O CYS A 2 -0.387 7.928 0.335 1.00 0.00 O ATOM 29 CB CYS A 2 0.011 8.962 -2.585 1.00 0.00 C ATOM 30 SG CYS A 2 1.115 8.052 -3.694 1.00 0.00 S ATOM 31 H CYS A 2 2.497 9.527 -2.442 1.00 0.00 H ATOM 32 HA CYS A 2 0.252 10.158 -0.832 1.00 0.00 H ATOM 33 HB2 CYS A 2 -0.854 8.354 -2.364 1.00 0.00 H ATOM 34 HB3 CYS A 2 -0.308 9.876 -3.066 1.00 0.00 H ATOM 35 N ASN A 3 1.722 7.355 -0.202 1.00 0.00 N ATOM 36 CA ASN A 3 1.730 6.202 0.695 1.00 0.00 C ATOM 37 C ASN A 3 1.104 6.579 2.029 1.00 0.00 C ATOM 38 O ASN A 3 0.534 5.736 2.720 1.00 0.00 O ATOM 39 CB ASN A 3 3.163 5.716 0.916 1.00 0.00 C ATOM 40 CG ASN A 3 3.170 4.208 1.137 1.00 0.00 C ATOM 41 OD1 ASN A 3 3.900 3.709 1.995 1.00 0.00 O ATOM 42 ND2 ASN A 3 2.393 3.447 0.414 1.00 0.00 N ATOM 43 H ASN A 3 2.517 7.555 -0.738 1.00 0.00 H ATOM 44 HA ASN A 3 1.154 5.402 0.258 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.760 5.955 0.046 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.579 6.208 1.783 1.00 0.00 H ATOM 47 HD21 ASN A 3 1.812 3.851 -0.270 1.00 0.00 H ATOM 48 HD22 ASN A 3 2.391 2.474 0.553 1.00 0.00 H ATOM 49 N THR A 4 1.209 7.851 2.379 1.00 0.00 N ATOM 50 CA THR A 4 0.643 8.332 3.628 1.00 0.00 C ATOM 51 C THR A 4 -0.883 8.367 3.560 1.00 0.00 C ATOM 52 O THR A 4 -1.559 8.011 4.525 1.00 0.00 O ATOM 53 CB THR A 4 1.173 9.736 3.935 1.00 0.00 C ATOM 54 OG1 THR A 4 2.357 9.966 3.185 1.00 0.00 O ATOM 55 CG2 THR A 4 1.478 9.847 5.429 1.00 0.00 C ATOM 56 H THR A 4 1.671 8.479 1.784 1.00 0.00 H ATOM 57 HA THR A 4 0.941 7.668 4.425 1.00 0.00 H ATOM 58 HB THR A 4 0.427 10.469 3.668 1.00 0.00 H ATOM 59 HG1 THR A 4 3.072 10.135 3.803 1.00 0.00 H ATOM 60 HG21 THR A 4 0.567 9.669 6.001 1.00 0.00 H ATOM 61 HG22 THR A 4 1.855 10.845 5.650 1.00 0.00 H ATOM 62 HG23 THR A 4 2.229 9.106 5.703 1.00 0.00 H ATOM 63 N ALA A 5 -1.429 8.827 2.431 1.00 0.00 N ATOM 64 CA ALA A 5 -2.881 8.928 2.295 1.00 0.00 C ATOM 65 C ALA A 5 -3.502 7.771 1.498 1.00 0.00 C ATOM 66 O ALA A 5 -4.206 6.938 2.065 1.00 0.00 O ATOM 67 CB ALA A 5 -3.237 10.253 1.618 1.00 0.00 C ATOM 68 H ALA A 5 -0.850 9.120 1.696 1.00 0.00 H ATOM 69 HA ALA A 5 -3.315 8.929 3.282 1.00 0.00 H ATOM 70 HB1 ALA A 5 -4.319 10.330 1.516 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.776 10.293 0.631 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.870 11.081 2.224 1.00 0.00 H ATOM 73 N THR A 6 -3.280 7.748 0.182 1.00 0.00 N ATOM 74 CA THR A 6 -3.882 6.705 -0.656 1.00 0.00 C ATOM 75 C THR A 6 -2.930 5.545 -0.954 1.00 0.00 C ATOM 76 O THR A 6 -3.222 4.398 -0.617 1.00 0.00 O ATOM 77 CB THR A 6 -4.357 7.323 -1.976 1.00 0.00 C ATOM 78 OG1 THR A 6 -5.643 7.898 -1.791 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.432 6.241 -3.058 1.00 0.00 C ATOM 80 H THR A 6 -2.739 8.452 -0.232 1.00 0.00 H ATOM 81 HA THR A 6 -4.744 6.313 -0.141 1.00 0.00 H ATOM 82 HB THR A 6 -3.662 8.086 -2.286 1.00 0.00 H ATOM 83 HG1 THR A 6 -6.299 7.208 -1.912 1.00 0.00 H ATOM 84 HG21 THR A 6 -3.445 5.800 -3.201 1.00 0.00 H ATOM 85 HG22 THR A 6 -4.770 6.685 -3.994 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.134 5.466 -2.750 1.00 0.00 H ATOM 87 N CYS A 7 -1.812 5.836 -1.611 1.00 0.00 N ATOM 88 CA CYS A 7 -0.863 4.783 -1.967 1.00 0.00 C ATOM 89 C CYS A 7 -0.587 3.880 -0.769 1.00 0.00 C ATOM 90 O CYS A 7 0.053 2.835 -0.898 1.00 0.00 O ATOM 91 CB CYS A 7 0.448 5.384 -2.476 1.00 0.00 C ATOM 92 SG CYS A 7 0.158 6.301 -4.006 1.00 0.00 S ATOM 93 H CYS A 7 -1.633 6.763 -1.878 1.00 0.00 H ATOM 94 HA CYS A 7 -1.296 4.189 -2.755 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.844 6.055 -1.739 1.00 0.00 H ATOM 96 HB3 CYS A 7 1.160 4.592 -2.661 1.00 0.00 H ATOM 97 N ALA A 8 -1.073 4.293 0.395 1.00 0.00 N ATOM 98 CA ALA A 8 -0.879 3.523 1.620 1.00 0.00 C ATOM 99 C ALA A 8 -1.544 2.152 1.526 1.00 0.00 C ATOM 100 O ALA A 8 -1.161 1.227 2.235 1.00 0.00 O ATOM 101 CB ALA A 8 -1.464 4.283 2.813 1.00 0.00 C ATOM 102 H ALA A 8 -1.573 5.134 0.435 1.00 0.00 H ATOM 103 HA ALA A 8 0.179 3.386 1.783 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.315 3.702 3.723 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.531 4.443 2.655 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.963 5.246 2.912 1.00 0.00 H ATOM 107 N THR A 9 -2.542 2.035 0.651 1.00 0.00 N ATOM 108 CA THR A 9 -3.266 0.783 0.464 1.00 0.00 C ATOM 109 C THR A 9 -2.610 -0.023 -0.637 1.00 0.00 C ATOM 110 O THR A 9 -2.806 -1.232 -0.769 1.00 0.00 O ATOM 111 CB THR A 9 -4.723 1.074 0.088 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.757 1.828 -1.117 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.393 1.870 1.209 1.00 0.00 C ATOM 114 H THR A 9 -2.789 2.806 0.107 1.00 0.00 H ATOM 115 HA THR A 9 -3.246 0.224 1.376 1.00 0.00 H ATOM 116 HB THR A 9 -5.253 0.145 -0.052 1.00 0.00 H ATOM 117 HG1 THR A 9 -3.853 2.032 -1.364 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.366 1.291 2.132 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.429 2.076 0.940 1.00 0.00 H ATOM 120 HG23 THR A 9 -4.862 2.811 1.355 1.00 0.00 H ATOM 121 N GLN A 10 -1.846 0.692 -1.435 1.00 0.00 N ATOM 122 CA GLN A 10 -1.145 0.128 -2.570 1.00 0.00 C ATOM 123 C GLN A 10 -0.005 -0.770 -2.117 1.00 0.00 C ATOM 124 O GLN A 10 0.087 -1.927 -2.526 1.00 0.00 O ATOM 125 CB GLN A 10 -0.603 1.280 -3.408 1.00 0.00 C ATOM 126 CG GLN A 10 -0.454 0.856 -4.865 1.00 0.00 C ATOM 127 CD GLN A 10 0.877 0.141 -5.072 1.00 0.00 C ATOM 128 OE1 GLN A 10 0.941 -0.852 -5.798 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.949 0.587 -4.477 1.00 0.00 N ATOM 130 H GLN A 10 -1.755 1.641 -1.251 1.00 0.00 H ATOM 131 HA GLN A 10 -1.836 -0.447 -3.162 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.294 2.108 -3.352 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.353 1.589 -3.020 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.264 0.198 -5.133 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.489 1.736 -5.486 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.895 1.380 -3.898 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.810 0.127 -4.606 1.00 0.00 H ATOM 138 N ARG A 11 0.850 -0.234 -1.259 1.00 0.00 N ATOM 139 CA ARG A 11 1.968 -1.009 -0.748 1.00 0.00 C ATOM 140 C ARG A 11 1.445 -1.994 0.277 1.00 0.00 C ATOM 141 O ARG A 11 1.980 -3.089 0.448 1.00 0.00 O ATOM 142 CB ARG A 11 3.011 -0.090 -0.104 1.00 0.00 C ATOM 143 CG ARG A 11 4.152 -0.934 0.472 1.00 0.00 C ATOM 144 CD ARG A 11 5.379 -0.049 0.697 1.00 0.00 C ATOM 145 NE ARG A 11 5.666 0.728 -0.504 1.00 0.00 N ATOM 146 CZ ARG A 11 6.614 0.357 -1.361 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.321 -0.718 -1.136 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.839 1.071 -2.431 1.00 0.00 N ATOM 149 H ARG A 11 0.716 0.688 -0.953 1.00 0.00 H ATOM 150 HA ARG A 11 2.427 -1.551 -1.562 1.00 0.00 H ATOM 151 HB2 ARG A 11 3.403 0.588 -0.849 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.549 0.477 0.690 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.840 -1.365 1.412 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.401 -1.723 -0.220 1.00 0.00 H ATOM 155 HD2 ARG A 11 5.189 0.624 1.520 1.00 0.00 H ATOM 156 HD3 ARG A 11 6.229 -0.672 0.937 1.00 0.00 H ATOM 157 HE ARG A 11 5.147 1.539 -0.685 1.00 0.00 H ATOM 158 HH11 ARG A 11 7.153 -1.266 -0.318 1.00 0.00 H ATOM 159 HH12 ARG A 11 8.032 -0.993 -1.785 1.00 0.00 H ATOM 160 HH21 ARG A 11 6.297 1.895 -2.604 1.00 0.00 H ATOM 161 HH22 ARG A 11 7.551 0.795 -3.077 1.00 0.00 H ATOM 162 N LEU A 12 0.374 -1.592 0.948 1.00 0.00 N ATOM 163 CA LEU A 12 -0.247 -2.439 1.944 1.00 0.00 C ATOM 164 C LEU A 12 -0.922 -3.630 1.271 1.00 0.00 C ATOM 165 O LEU A 12 -0.890 -4.747 1.781 1.00 0.00 O ATOM 166 CB LEU A 12 -1.262 -1.625 2.747 1.00 0.00 C ATOM 167 CG LEU A 12 -2.430 -2.502 3.196 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.906 -3.651 4.055 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.411 -1.657 4.016 1.00 0.00 C ATOM 170 H LEU A 12 -0.011 -0.711 0.755 1.00 0.00 H ATOM 171 HA LEU A 12 0.513 -2.789 2.607 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.778 -1.203 3.615 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.633 -0.835 2.130 1.00 0.00 H ATOM 174 HG LEU A 12 -2.938 -2.900 2.332 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.740 -4.276 4.375 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.398 -3.248 4.931 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.206 -4.250 3.473 1.00 0.00 H ATOM 178 HD21 LEU A 12 -2.901 -1.253 4.890 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.246 -2.279 4.338 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.785 -0.837 3.403 1.00 0.00 H ATOM 181 N ALA A 13 -1.512 -3.367 0.108 1.00 0.00 N ATOM 182 CA ALA A 13 -2.183 -4.382 -0.672 1.00 0.00 C ATOM 183 C ALA A 13 -1.156 -5.274 -1.294 1.00 0.00 C ATOM 184 O ALA A 13 -1.369 -6.463 -1.522 1.00 0.00 O ATOM 185 CB ALA A 13 -3.047 -3.740 -1.762 1.00 0.00 C ATOM 186 H ALA A 13 -1.471 -2.472 -0.247 1.00 0.00 H ATOM 187 HA ALA A 13 -2.795 -4.955 -0.034 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.544 -4.520 -2.339 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.416 -3.146 -2.423 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.796 -3.097 -1.301 1.00 0.00 H ATOM 191 N ASN A 14 -0.044 -4.658 -1.575 1.00 0.00 N ATOM 192 CA ASN A 14 1.060 -5.345 -2.193 1.00 0.00 C ATOM 193 C ASN A 14 1.484 -6.528 -1.335 1.00 0.00 C ATOM 194 O ASN A 14 1.933 -7.555 -1.843 1.00 0.00 O ATOM 195 CB ASN A 14 2.243 -4.392 -2.387 1.00 0.00 C ATOM 196 CG ASN A 14 3.383 -5.111 -3.103 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.163 -6.139 -3.745 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.594 -4.631 -3.028 1.00 0.00 N ATOM 199 H ASN A 14 0.024 -3.715 -1.354 1.00 0.00 H ATOM 200 HA ASN A 14 0.732 -5.694 -3.147 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.927 -3.546 -2.980 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.588 -4.047 -1.425 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.764 -3.809 -2.513 1.00 0.00 H ATOM 204 HD22 ASN A 14 5.334 -5.089 -3.488 1.00 0.00 H ATOM 205 N PHE A 15 1.321 -6.373 -0.027 1.00 0.00 N ATOM 206 CA PHE A 15 1.666 -7.425 0.914 1.00 0.00 C ATOM 207 C PHE A 15 0.414 -8.224 1.236 1.00 0.00 C ATOM 208 O PHE A 15 0.454 -9.255 1.904 1.00 0.00 O ATOM 209 CB PHE A 15 2.259 -6.789 2.183 1.00 0.00 C ATOM 210 CG PHE A 15 1.351 -7.021 3.372 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.286 -8.287 3.964 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.567 -5.975 3.871 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.440 -8.506 5.055 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.278 -6.197 4.966 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.341 -7.461 5.558 1.00 0.00 C ATOM 216 H PHE A 15 0.933 -5.537 0.314 1.00 0.00 H ATOM 217 HA PHE A 15 2.400 -8.075 0.466 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.226 -7.222 2.381 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.371 -5.724 2.023 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.891 -9.096 3.578 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.617 -4.999 3.414 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.389 -9.481 5.510 1.00 0.00 H ATOM 223 HE2 PHE A 15 -0.882 -5.391 5.355 1.00 0.00 H ATOM 224 HZ PHE A 15 -0.994 -7.633 6.402 1.00 0.00 H ATOM 225 N LEU A 16 -0.699 -7.702 0.755 1.00 0.00 N ATOM 226 CA LEU A 16 -1.994 -8.296 0.975 1.00 0.00 C ATOM 227 C LEU A 16 -2.443 -9.028 -0.279 1.00 0.00 C ATOM 228 O LEU A 16 -3.306 -9.904 -0.232 1.00 0.00 O ATOM 229 CB LEU A 16 -2.960 -7.160 1.288 1.00 0.00 C ATOM 230 CG LEU A 16 -3.885 -7.524 2.442 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.089 -7.478 3.748 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.026 -6.500 2.509 1.00 0.00 C ATOM 233 H LEU A 16 -0.649 -6.876 0.237 1.00 0.00 H ATOM 234 HA LEU A 16 -1.953 -8.978 1.808 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.388 -6.292 1.567 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.537 -6.938 0.411 1.00 0.00 H ATOM 237 HG LEU A 16 -4.288 -8.513 2.292 1.00 0.00 H ATOM 238 HD11 LEU A 16 -3.742 -7.737 4.581 1.00 0.00 H ATOM 239 HD12 LEU A 16 -2.692 -6.474 3.897 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.265 -8.190 3.697 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.612 -5.504 2.670 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.694 -6.753 3.333 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.584 -6.515 1.572 1.00 0.00 H ATOM 244 N VAL A 17 -1.849 -8.643 -1.400 1.00 0.00 N ATOM 245 CA VAL A 17 -2.188 -9.243 -2.676 1.00 0.00 C ATOM 246 C VAL A 17 -1.441 -10.559 -2.873 1.00 0.00 C ATOM 247 O VAL A 17 -1.959 -11.492 -3.488 1.00 0.00 O ATOM 248 CB VAL A 17 -1.847 -8.278 -3.811 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.340 -8.302 -4.071 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.592 -8.700 -5.079 1.00 0.00 C ATOM 251 H VAL A 17 -1.176 -7.932 -1.368 1.00 0.00 H ATOM 252 HA VAL A 17 -3.245 -9.432 -2.689 1.00 0.00 H ATOM 253 HB VAL A 17 -2.145 -7.277 -3.532 1.00 0.00 H ATOM 254 HG11 VAL A 17 -0.099 -7.613 -4.881 1.00 0.00 H ATOM 255 HG12 VAL A 17 -0.035 -9.311 -4.350 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.190 -7.999 -3.168 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.292 -9.710 -5.358 1.00 0.00 H ATOM 258 HG22 VAL A 17 -2.350 -8.012 -5.889 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.666 -8.679 -4.894 1.00 0.00 H ATOM 260 N HIS A 18 -0.224 -10.626 -2.345 1.00 0.00 N ATOM 261 CA HIS A 18 0.587 -11.833 -2.468 1.00 0.00 C ATOM 262 C HIS A 18 0.003 -12.956 -1.619 1.00 0.00 C ATOM 263 O HIS A 18 -0.221 -14.063 -2.104 1.00 0.00 O ATOM 264 CB HIS A 18 2.019 -11.543 -2.019 1.00 0.00 C ATOM 265 CG HIS A 18 2.875 -11.259 -3.224 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.504 -12.268 -3.938 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.220 -10.087 -3.849 1.00 0.00 C ATOM 268 CE1 HIS A 18 4.189 -11.689 -4.939 1.00 0.00 C ATOM 269 NE2 HIS A 18 4.050 -10.361 -4.932 1.00 0.00 N ATOM 270 H HIS A 18 0.137 -9.852 -1.866 1.00 0.00 H ATOM 271 HA HIS A 18 0.600 -12.143 -3.501 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.024 -10.684 -1.365 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.412 -12.400 -1.494 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.894 -9.102 -3.548 1.00 0.00 H ATOM 275 HE1 HIS A 18 4.780 -12.232 -5.662 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.449 -9.717 -5.553 1.00 0.00 H ATOM 277 N SER A 19 -0.239 -12.660 -0.346 1.00 0.00 N ATOM 278 CA SER A 19 -0.798 -13.651 0.565 1.00 0.00 C ATOM 279 C SER A 19 -2.322 -13.638 0.501 1.00 0.00 C ATOM 280 O SER A 19 -2.991 -13.562 1.532 1.00 0.00 O ATOM 281 CB SER A 19 -0.341 -13.361 1.996 1.00 0.00 C ATOM 282 OG SER A 19 -0.511 -11.977 2.271 1.00 0.00 O ATOM 283 H SER A 19 -0.041 -11.759 -0.014 1.00 0.00 H ATOM 284 HA SER A 19 -0.443 -14.630 0.280 1.00 0.00 H ATOM 285 HB2 SER A 19 -0.933 -13.933 2.689 1.00 0.00 H ATOM 286 HB3 SER A 19 0.700 -13.633 2.101 1.00 0.00 H ATOM 287 HG SER A 19 -0.281 -11.826 3.192 1.00 0.00 H HETATM 288 N NH2 A 20 -2.917 -13.708 -0.660 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -3.896 -13.701 -0.711 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.384 -13.769 -1.480 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 9 ATOM 1 N LYS A 1 4.172 11.077 -0.004 1.00 0.00 N ATOM 2 CA LYS A 1 2.841 11.726 0.172 1.00 0.00 C ATOM 3 C LYS A 1 1.740 10.715 -0.134 1.00 0.00 C ATOM 4 O LYS A 1 0.790 10.567 0.632 1.00 0.00 O ATOM 5 CB LYS A 1 2.730 12.922 -0.775 1.00 0.00 C ATOM 6 CG LYS A 1 3.544 12.649 -2.040 1.00 0.00 C ATOM 7 CD LYS A 1 5.001 13.057 -1.809 1.00 0.00 C ATOM 8 CE LYS A 1 5.918 12.194 -2.676 1.00 0.00 C ATOM 9 NZ LYS A 1 6.208 10.912 -1.974 1.00 0.00 N ATOM 10 H1 LYS A 1 4.069 10.046 0.074 1.00 0.00 H ATOM 11 H2 LYS A 1 4.823 11.418 0.733 1.00 0.00 H ATOM 12 H3 LYS A 1 4.552 11.314 -0.942 1.00 0.00 H ATOM 13 HA LYS A 1 2.741 12.066 1.193 1.00 0.00 H ATOM 14 HB2 LYS A 1 1.694 13.076 -1.039 1.00 0.00 H ATOM 15 HB3 LYS A 1 3.113 13.805 -0.287 1.00 0.00 H ATOM 16 HG2 LYS A 1 3.497 11.596 -2.279 1.00 0.00 H ATOM 17 HG3 LYS A 1 3.139 13.224 -2.860 1.00 0.00 H ATOM 18 HD2 LYS A 1 5.130 14.097 -2.070 1.00 0.00 H ATOM 19 HD3 LYS A 1 5.254 12.914 -0.769 1.00 0.00 H ATOM 20 HE2 LYS A 1 5.432 11.985 -3.618 1.00 0.00 H ATOM 21 HE3 LYS A 1 6.842 12.722 -2.858 1.00 0.00 H ATOM 22 HZ1 LYS A 1 7.235 10.808 -1.849 1.00 0.00 H ATOM 23 HZ2 LYS A 1 5.844 10.118 -2.537 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.748 10.917 -1.041 1.00 0.00 H ATOM 25 N CYS A 2 1.877 10.024 -1.261 1.00 0.00 N ATOM 26 CA CYS A 2 0.888 9.032 -1.663 1.00 0.00 C ATOM 27 C CYS A 2 0.816 7.900 -0.641 1.00 0.00 C ATOM 28 O CYS A 2 -0.233 7.650 -0.050 1.00 0.00 O ATOM 29 CB CYS A 2 1.249 8.461 -3.036 1.00 0.00 C ATOM 30 SG CYS A 2 -0.227 7.750 -3.806 1.00 0.00 S ATOM 31 H CYS A 2 2.656 10.187 -1.835 1.00 0.00 H ATOM 32 HA CYS A 2 -0.079 9.505 -1.727 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.635 9.253 -3.663 1.00 0.00 H ATOM 34 HB3 CYS A 2 2.000 7.694 -2.922 1.00 0.00 H ATOM 35 N ASN A 3 1.940 7.215 -0.442 1.00 0.00 N ATOM 36 CA ASN A 3 1.991 6.109 0.508 1.00 0.00 C ATOM 37 C ASN A 3 1.322 6.501 1.815 1.00 0.00 C ATOM 38 O ASN A 3 0.658 5.688 2.458 1.00 0.00 O ATOM 39 CB ASN A 3 3.447 5.718 0.776 1.00 0.00 C ATOM 40 CG ASN A 3 4.244 5.756 -0.523 1.00 0.00 C ATOM 41 OD1 ASN A 3 5.317 6.355 -0.577 1.00 0.00 O ATOM 42 ND2 ASN A 3 3.780 5.147 -1.580 1.00 0.00 N ATOM 43 H ASN A 3 2.747 7.457 -0.943 1.00 0.00 H ATOM 44 HA ASN A 3 1.474 5.258 0.092 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.880 6.411 1.482 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.480 4.719 1.186 1.00 0.00 H ATOM 47 HD21 ASN A 3 2.921 4.668 -1.532 1.00 0.00 H ATOM 48 HD22 ASN A 3 4.291 5.167 -2.421 1.00 0.00 H ATOM 49 N THR A 4 1.507 7.753 2.207 1.00 0.00 N ATOM 50 CA THR A 4 0.926 8.252 3.444 1.00 0.00 C ATOM 51 C THR A 4 -0.586 8.421 3.324 1.00 0.00 C ATOM 52 O THR A 4 -1.316 8.193 4.289 1.00 0.00 O ATOM 53 CB THR A 4 1.559 9.596 3.809 1.00 0.00 C ATOM 54 OG1 THR A 4 0.913 10.635 3.085 1.00 0.00 O ATOM 55 CG2 THR A 4 3.047 9.575 3.453 1.00 0.00 C ATOM 56 H THR A 4 2.051 8.354 1.656 1.00 0.00 H ATOM 57 HA THR A 4 1.135 7.548 4.235 1.00 0.00 H ATOM 58 HB THR A 4 1.449 9.771 4.867 1.00 0.00 H ATOM 59 HG1 THR A 4 1.441 10.826 2.307 1.00 0.00 H ATOM 60 HG21 THR A 4 3.543 8.778 4.008 1.00 0.00 H ATOM 61 HG22 THR A 4 3.497 10.533 3.713 1.00 0.00 H ATOM 62 HG23 THR A 4 3.163 9.399 2.384 1.00 0.00 H ATOM 63 N ALA A 5 -1.058 8.852 2.154 1.00 0.00 N ATOM 64 CA ALA A 5 -2.492 9.074 1.978 1.00 0.00 C ATOM 65 C ALA A 5 -3.197 7.928 1.246 1.00 0.00 C ATOM 66 O ALA A 5 -3.974 7.189 1.852 1.00 0.00 O ATOM 67 CB ALA A 5 -2.711 10.373 1.200 1.00 0.00 C ATOM 68 H ALA A 5 -0.439 9.045 1.420 1.00 0.00 H ATOM 69 HA ALA A 5 -2.943 9.187 2.950 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.780 10.542 1.067 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.231 10.298 0.224 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.278 11.206 1.754 1.00 0.00 H ATOM 73 N THR A 6 -2.963 7.804 -0.061 1.00 0.00 N ATOM 74 CA THR A 6 -3.635 6.761 -0.843 1.00 0.00 C ATOM 75 C THR A 6 -2.766 5.526 -1.066 1.00 0.00 C ATOM 76 O THR A 6 -3.131 4.421 -0.665 1.00 0.00 O ATOM 77 CB THR A 6 -4.051 7.328 -2.200 1.00 0.00 C ATOM 78 OG1 THR A 6 -4.887 8.459 -2.003 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.810 6.259 -2.989 1.00 0.00 C ATOM 80 H THR A 6 -2.360 8.434 -0.509 1.00 0.00 H ATOM 81 HA THR A 6 -4.527 6.461 -0.316 1.00 0.00 H ATOM 82 HB THR A 6 -3.172 7.621 -2.753 1.00 0.00 H ATOM 83 HG1 THR A 6 -5.631 8.385 -2.605 1.00 0.00 H ATOM 84 HG21 THR A 6 -4.166 5.392 -3.140 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.107 6.663 -3.957 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.698 5.959 -2.433 1.00 0.00 H ATOM 87 N CYS A 7 -1.631 5.713 -1.731 1.00 0.00 N ATOM 88 CA CYS A 7 -0.741 4.596 -2.028 1.00 0.00 C ATOM 89 C CYS A 7 -0.497 3.744 -0.787 1.00 0.00 C ATOM 90 O CYS A 7 0.112 2.678 -0.859 1.00 0.00 O ATOM 91 CB CYS A 7 0.586 5.108 -2.591 1.00 0.00 C ATOM 92 SG CYS A 7 0.302 5.845 -4.219 1.00 0.00 S ATOM 93 H CYS A 7 -1.399 6.612 -2.045 1.00 0.00 H ATOM 94 HA CYS A 7 -1.214 3.982 -2.779 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.996 5.850 -1.931 1.00 0.00 H ATOM 96 HB3 CYS A 7 1.280 4.286 -2.686 1.00 0.00 H ATOM 97 N ALA A 8 -0.975 4.220 0.353 1.00 0.00 N ATOM 98 CA ALA A 8 -0.804 3.493 1.605 1.00 0.00 C ATOM 99 C ALA A 8 -1.502 2.133 1.551 1.00 0.00 C ATOM 100 O ALA A 8 -1.137 1.217 2.283 1.00 0.00 O ATOM 101 CB ALA A 8 -1.378 4.313 2.762 1.00 0.00 C ATOM 102 H ALA A 8 -1.451 5.076 0.354 1.00 0.00 H ATOM 103 HA ALA A 8 0.249 3.339 1.778 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.248 3.766 3.696 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.440 4.491 2.590 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.856 5.268 2.825 1.00 0.00 H ATOM 107 N THR A 9 -2.505 2.012 0.680 1.00 0.00 N ATOM 108 CA THR A 9 -3.250 0.764 0.531 1.00 0.00 C ATOM 109 C THR A 9 -2.627 -0.077 -0.567 1.00 0.00 C ATOM 110 O THR A 9 -2.820 -1.289 -0.649 1.00 0.00 O ATOM 111 CB THR A 9 -4.710 1.063 0.182 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.958 2.453 0.342 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.634 0.269 1.108 1.00 0.00 C ATOM 114 H THR A 9 -2.738 2.770 0.111 1.00 0.00 H ATOM 115 HA THR A 9 -3.214 0.222 1.456 1.00 0.00 H ATOM 116 HB THR A 9 -4.902 0.779 -0.840 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.718 2.894 -0.476 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.444 -0.797 0.985 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.673 0.484 0.857 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.444 0.554 2.143 1.00 0.00 H ATOM 121 N GLN A 10 -1.891 0.614 -1.409 1.00 0.00 N ATOM 122 CA GLN A 10 -1.219 0.015 -2.545 1.00 0.00 C ATOM 123 C GLN A 10 -0.065 -0.853 -2.078 1.00 0.00 C ATOM 124 O GLN A 10 0.030 -2.028 -2.433 1.00 0.00 O ATOM 125 CB GLN A 10 -0.728 1.146 -3.447 1.00 0.00 C ATOM 126 CG GLN A 10 0.449 0.698 -4.304 1.00 0.00 C ATOM 127 CD GLN A 10 0.015 -0.403 -5.265 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.608 -1.381 -4.851 1.00 0.00 O ATOM 129 NE2 GLN A 10 0.308 -0.301 -6.533 1.00 0.00 N ATOM 130 H GLN A 10 -1.794 1.568 -1.258 1.00 0.00 H ATOM 131 HA GLN A 10 -1.921 -0.593 -3.095 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.535 1.464 -4.088 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.419 1.974 -2.834 1.00 0.00 H ATOM 134 HG2 GLN A 10 0.800 1.547 -4.862 1.00 0.00 H ATOM 135 HG3 GLN A 10 1.247 0.335 -3.675 1.00 0.00 H ATOM 136 HE21 GLN A 10 0.805 0.484 -6.860 1.00 0.00 H ATOM 137 HE22 GLN A 10 0.029 -1.007 -7.159 1.00 0.00 H ATOM 138 N ARG A 11 0.800 -0.269 -1.260 1.00 0.00 N ATOM 139 CA ARG A 11 1.931 -1.006 -0.731 1.00 0.00 C ATOM 140 C ARG A 11 1.412 -2.029 0.258 1.00 0.00 C ATOM 141 O ARG A 11 1.940 -3.136 0.373 1.00 0.00 O ATOM 142 CB ARG A 11 2.908 -0.055 -0.033 1.00 0.00 C ATOM 143 CG ARG A 11 4.036 -0.862 0.612 1.00 0.00 C ATOM 144 CD ARG A 11 5.211 0.064 0.928 1.00 0.00 C ATOM 145 NE ARG A 11 6.105 -0.568 1.893 1.00 0.00 N ATOM 146 CZ ARG A 11 7.178 0.066 2.353 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.443 1.278 1.949 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.964 -0.522 3.211 1.00 0.00 N ATOM 149 H ARG A 11 0.659 0.665 -0.995 1.00 0.00 H ATOM 150 HA ARG A 11 2.440 -1.513 -1.537 1.00 0.00 H ATOM 151 HB2 ARG A 11 3.322 0.631 -0.758 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.383 0.501 0.730 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.677 -1.317 1.524 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.361 -1.633 -0.070 1.00 0.00 H ATOM 155 HD2 ARG A 11 5.756 0.271 0.020 1.00 0.00 H ATOM 156 HD3 ARG A 11 4.835 0.990 1.338 1.00 0.00 H ATOM 157 HE ARG A 11 5.911 -1.476 2.206 1.00 0.00 H ATOM 158 HH11 ARG A 11 6.838 1.730 1.293 1.00 0.00 H ATOM 159 HH12 ARG A 11 8.252 1.755 2.295 1.00 0.00 H ATOM 160 HH21 ARG A 11 7.759 -1.450 3.522 1.00 0.00 H ATOM 161 HH22 ARG A 11 8.773 -0.046 3.558 1.00 0.00 H ATOM 162 N LEU A 12 0.355 -1.643 0.959 1.00 0.00 N ATOM 163 CA LEU A 12 -0.267 -2.517 1.932 1.00 0.00 C ATOM 164 C LEU A 12 -0.964 -3.680 1.226 1.00 0.00 C ATOM 165 O LEU A 12 -0.930 -4.818 1.690 1.00 0.00 O ATOM 166 CB LEU A 12 -1.264 -1.721 2.776 1.00 0.00 C ATOM 167 CG LEU A 12 -2.456 -2.592 3.177 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.962 -3.784 3.992 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.426 -1.765 4.021 1.00 0.00 C ATOM 170 H LEU A 12 -0.022 -0.751 0.808 1.00 0.00 H ATOM 171 HA LEU A 12 0.496 -2.901 2.570 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.769 -1.362 3.667 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.613 -0.884 2.205 1.00 0.00 H ATOM 174 HG LEU A 12 -2.960 -2.946 2.292 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.810 -4.406 4.278 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.455 -3.427 4.888 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.267 -4.372 3.392 1.00 0.00 H ATOM 178 HD21 LEU A 12 -2.917 -1.410 4.917 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.277 -2.383 4.308 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.777 -0.912 3.440 1.00 0.00 H ATOM 181 N ALA A 13 -1.579 -3.374 0.088 1.00 0.00 N ATOM 182 CA ALA A 13 -2.270 -4.363 -0.707 1.00 0.00 C ATOM 183 C ALA A 13 -1.256 -5.230 -1.387 1.00 0.00 C ATOM 184 O ALA A 13 -1.466 -6.414 -1.641 1.00 0.00 O ATOM 185 CB ALA A 13 -3.162 -3.686 -1.749 1.00 0.00 C ATOM 186 H ALA A 13 -1.545 -2.467 -0.236 1.00 0.00 H ATOM 187 HA ALA A 13 -2.863 -4.960 -0.071 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.674 -4.446 -2.338 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.550 -3.069 -2.407 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.899 -3.060 -1.246 1.00 0.00 H ATOM 191 N ASN A 14 -0.157 -4.591 -1.682 1.00 0.00 N ATOM 192 CA ASN A 14 0.940 -5.242 -2.351 1.00 0.00 C ATOM 193 C ASN A 14 1.423 -6.432 -1.535 1.00 0.00 C ATOM 194 O ASN A 14 1.890 -7.429 -2.083 1.00 0.00 O ATOM 195 CB ASN A 14 2.094 -4.262 -2.572 1.00 0.00 C ATOM 196 CG ASN A 14 3.209 -4.938 -3.361 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.985 -5.714 -2.802 1.00 0.00 O ATOM 198 ND2 ASN A 14 3.336 -4.688 -4.636 1.00 0.00 N ATOM 199 H ASN A 14 -0.093 -3.654 -1.435 1.00 0.00 H ATOM 200 HA ASN A 14 0.585 -5.580 -3.301 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.734 -3.406 -3.121 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.477 -3.940 -1.615 1.00 0.00 H ATOM 203 HD21 ASN A 14 2.715 -4.068 -5.079 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.055 -5.122 -5.150 1.00 0.00 H ATOM 205 N PHE A 15 1.288 -6.319 -0.220 1.00 0.00 N ATOM 206 CA PHE A 15 1.687 -7.387 0.680 1.00 0.00 C ATOM 207 C PHE A 15 0.467 -8.239 0.979 1.00 0.00 C ATOM 208 O PHE A 15 0.542 -9.288 1.615 1.00 0.00 O ATOM 209 CB PHE A 15 2.264 -6.774 1.968 1.00 0.00 C ATOM 210 CG PHE A 15 1.368 -7.076 3.152 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.341 -8.363 3.700 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.559 -6.070 3.693 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.505 -8.643 4.786 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.276 -6.353 4.784 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.301 -7.640 5.328 1.00 0.00 C ATOM 216 H PHE A 15 0.881 -5.506 0.154 1.00 0.00 H ATOM 217 HA PHE A 15 2.441 -7.992 0.202 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.246 -7.181 2.148 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.339 -5.702 1.842 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.966 -9.140 3.286 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.581 -5.076 3.272 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.483 -9.635 5.205 1.00 0.00 H ATOM 223 HE2 PHE A 15 -0.901 -5.580 5.202 1.00 0.00 H ATOM 224 HZ PHE A 15 -0.946 -7.858 6.167 1.00 0.00 H ATOM 225 N LEU A 16 -0.661 -7.740 0.512 1.00 0.00 N ATOM 226 CA LEU A 16 -1.937 -8.380 0.711 1.00 0.00 C ATOM 227 C LEU A 16 -2.367 -9.094 -0.558 1.00 0.00 C ATOM 228 O LEU A 16 -3.182 -10.016 -0.524 1.00 0.00 O ATOM 229 CB LEU A 16 -2.933 -7.283 1.057 1.00 0.00 C ATOM 230 CG LEU A 16 -3.873 -7.727 2.164 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.209 -7.442 3.512 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.169 -6.922 2.053 1.00 0.00 C ATOM 233 H LEU A 16 -0.637 -6.896 0.018 1.00 0.00 H ATOM 234 HA LEU A 16 -1.874 -9.080 1.528 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.388 -6.417 1.395 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.499 -7.027 0.180 1.00 0.00 H ATOM 237 HG LEU A 16 -4.083 -8.782 2.071 1.00 0.00 H ATOM 238 HD11 LEU A 16 -3.872 -7.756 4.318 1.00 0.00 H ATOM 239 HD12 LEU A 16 -3.010 -6.374 3.601 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.271 -7.993 3.579 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.948 -5.860 2.157 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.856 -7.228 2.841 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.628 -7.103 1.081 1.00 0.00 H ATOM 244 N VAL A 17 -1.813 -8.653 -1.681 1.00 0.00 N ATOM 245 CA VAL A 17 -2.145 -9.244 -2.963 1.00 0.00 C ATOM 246 C VAL A 17 -1.645 -10.683 -3.031 1.00 0.00 C ATOM 247 O VAL A 17 -2.309 -11.557 -3.587 1.00 0.00 O ATOM 248 CB VAL A 17 -1.524 -8.430 -4.098 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.056 -8.824 -4.268 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.280 -8.712 -5.399 1.00 0.00 C ATOM 251 H VAL A 17 -1.174 -7.911 -1.644 1.00 0.00 H ATOM 252 HA VAL A 17 -3.215 -9.236 -3.074 1.00 0.00 H ATOM 253 HB VAL A 17 -1.589 -7.378 -3.863 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.385 -8.243 -5.078 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.011 -9.886 -4.506 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.484 -8.625 -3.342 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.214 -9.774 -5.635 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.838 -8.132 -6.209 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.326 -8.431 -5.280 1.00 0.00 H ATOM 260 N HIS A 18 -0.470 -10.921 -2.459 1.00 0.00 N ATOM 261 CA HIS A 18 0.113 -12.256 -2.456 1.00 0.00 C ATOM 262 C HIS A 18 -0.582 -13.139 -1.423 1.00 0.00 C ATOM 263 O HIS A 18 -1.187 -14.154 -1.766 1.00 0.00 O ATOM 264 CB HIS A 18 1.608 -12.172 -2.141 1.00 0.00 C ATOM 265 CG HIS A 18 2.325 -11.518 -3.289 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.759 -12.235 -4.394 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.693 -10.215 -3.522 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.355 -11.368 -5.232 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.343 -10.124 -4.750 1.00 0.00 N ATOM 270 H HIS A 18 0.014 -10.184 -2.029 1.00 0.00 H ATOM 271 HA HIS A 18 -0.013 -12.696 -3.434 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.753 -11.587 -1.244 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.001 -13.167 -1.989 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.505 -9.387 -2.856 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.791 -11.646 -6.181 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.711 -9.319 -5.168 1.00 0.00 H ATOM 277 N SER A 19 -0.492 -12.740 -0.157 1.00 0.00 N ATOM 278 CA SER A 19 -1.117 -13.500 0.920 1.00 0.00 C ATOM 279 C SER A 19 -0.827 -12.849 2.269 1.00 0.00 C ATOM 280 O SER A 19 -0.721 -11.627 2.363 1.00 0.00 O ATOM 281 CB SER A 19 -0.595 -14.937 0.921 1.00 0.00 C ATOM 282 OG SER A 19 0.169 -15.164 -0.256 1.00 0.00 O ATOM 283 H SER A 19 0.003 -11.922 0.054 1.00 0.00 H ATOM 284 HA SER A 19 -2.184 -13.518 0.762 1.00 0.00 H ATOM 285 HB2 SER A 19 0.030 -15.094 1.784 1.00 0.00 H ATOM 286 HB3 SER A 19 -1.433 -15.622 0.956 1.00 0.00 H ATOM 287 HG SER A 19 1.089 -15.266 0.002 1.00 0.00 H HETATM 288 N NH2 A 20 -0.693 -13.602 3.327 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -0.508 -13.192 4.198 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -0.777 -14.575 3.251 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 10 ATOM 1 N LYS A 1 3.780 11.538 -2.315 1.00 0.00 N ATOM 2 CA LYS A 1 3.934 10.758 -1.056 1.00 0.00 C ATOM 3 C LYS A 1 2.591 10.146 -0.670 1.00 0.00 C ATOM 4 O LYS A 1 2.274 10.017 0.513 1.00 0.00 O ATOM 5 CB LYS A 1 4.421 11.685 0.061 1.00 0.00 C ATOM 6 CG LYS A 1 3.452 12.863 0.204 1.00 0.00 C ATOM 7 CD LYS A 1 3.710 13.589 1.527 1.00 0.00 C ATOM 8 CE LYS A 1 4.550 14.841 1.270 1.00 0.00 C ATOM 9 NZ LYS A 1 4.989 15.421 2.572 1.00 0.00 N ATOM 10 H1 LYS A 1 4.042 10.942 -3.127 1.00 0.00 H ATOM 11 H2 LYS A 1 4.398 12.375 -2.282 1.00 0.00 H ATOM 12 H3 LYS A 1 2.791 11.841 -2.417 1.00 0.00 H ATOM 13 HA LYS A 1 4.657 9.969 -1.208 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.462 11.136 0.990 1.00 0.00 H ATOM 15 HB3 LYS A 1 5.404 12.057 -0.183 1.00 0.00 H ATOM 16 HG2 LYS A 1 3.599 13.550 -0.618 1.00 0.00 H ATOM 17 HG3 LYS A 1 2.437 12.497 0.189 1.00 0.00 H ATOM 18 HD2 LYS A 1 2.765 13.875 1.968 1.00 0.00 H ATOM 19 HD3 LYS A 1 4.238 12.936 2.203 1.00 0.00 H ATOM 20 HE2 LYS A 1 5.418 14.578 0.684 1.00 0.00 H ATOM 21 HE3 LYS A 1 3.960 15.569 0.733 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.925 15.858 2.459 1.00 0.00 H ATOM 23 HZ2 LYS A 1 5.042 14.665 3.285 1.00 0.00 H ATOM 24 HZ3 LYS A 1 4.306 16.141 2.878 1.00 0.00 H ATOM 25 N CYS A 2 1.806 9.774 -1.674 1.00 0.00 N ATOM 26 CA CYS A 2 0.497 9.181 -1.428 1.00 0.00 C ATOM 27 C CYS A 2 0.619 7.960 -0.511 1.00 0.00 C ATOM 28 O CYS A 2 -0.350 7.564 0.138 1.00 0.00 O ATOM 29 CB CYS A 2 -0.173 8.799 -2.755 1.00 0.00 C ATOM 30 SG CYS A 2 0.960 7.822 -3.775 1.00 0.00 S ATOM 31 H CYS A 2 2.110 9.903 -2.597 1.00 0.00 H ATOM 32 HA CYS A 2 -0.121 9.916 -0.935 1.00 0.00 H ATOM 33 HB2 CYS A 2 -1.061 8.222 -2.555 1.00 0.00 H ATOM 34 HB3 CYS A 2 -0.446 9.698 -3.287 1.00 0.00 H ATOM 35 N ASN A 3 1.814 7.374 -0.461 1.00 0.00 N ATOM 36 CA ASN A 3 2.055 6.199 0.385 1.00 0.00 C ATOM 37 C ASN A 3 1.445 6.389 1.767 1.00 0.00 C ATOM 38 O ASN A 3 0.707 5.533 2.251 1.00 0.00 O ATOM 39 CB ASN A 3 3.563 5.972 0.527 1.00 0.00 C ATOM 40 CG ASN A 3 4.088 5.183 -0.668 1.00 0.00 C ATOM 41 OD1 ASN A 3 3.665 4.050 -0.898 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.988 5.719 -1.446 1.00 0.00 N ATOM 43 H ASN A 3 2.548 7.735 -0.997 1.00 0.00 H ATOM 44 HA ASN A 3 1.620 5.326 -0.068 1.00 0.00 H ATOM 45 HB2 ASN A 3 4.066 6.927 0.575 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.758 5.419 1.434 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.323 6.624 -1.259 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.331 5.213 -2.218 1.00 0.00 H ATOM 49 N THR A 4 1.767 7.506 2.399 1.00 0.00 N ATOM 50 CA THR A 4 1.255 7.791 3.732 1.00 0.00 C ATOM 51 C THR A 4 -0.237 8.124 3.715 1.00 0.00 C ATOM 52 O THR A 4 -0.933 7.896 4.705 1.00 0.00 O ATOM 53 CB THR A 4 2.025 8.966 4.336 1.00 0.00 C ATOM 54 OG1 THR A 4 3.391 8.882 3.952 1.00 0.00 O ATOM 55 CG2 THR A 4 1.917 8.919 5.861 1.00 0.00 C ATOM 56 H THR A 4 2.367 8.149 1.967 1.00 0.00 H ATOM 57 HA THR A 4 1.410 6.924 4.356 1.00 0.00 H ATOM 58 HB THR A 4 1.605 9.893 3.979 1.00 0.00 H ATOM 59 HG1 THR A 4 3.912 8.729 4.743 1.00 0.00 H ATOM 60 HG21 THR A 4 0.869 8.984 6.154 1.00 0.00 H ATOM 61 HG22 THR A 4 2.466 9.757 6.291 1.00 0.00 H ATOM 62 HG23 THR A 4 2.339 7.983 6.227 1.00 0.00 H ATOM 63 N ALA A 5 -0.726 8.702 2.618 1.00 0.00 N ATOM 64 CA ALA A 5 -2.136 9.085 2.560 1.00 0.00 C ATOM 65 C ALA A 5 -3.011 8.095 1.783 1.00 0.00 C ATOM 66 O ALA A 5 -3.829 7.392 2.376 1.00 0.00 O ATOM 67 CB ALA A 5 -2.258 10.468 1.921 1.00 0.00 C ATOM 68 H ALA A 5 -0.133 8.895 1.860 1.00 0.00 H ATOM 69 HA ALA A 5 -2.511 9.150 3.569 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.308 10.757 1.876 1.00 0.00 H ATOM 71 HB2 ALA A 5 -1.846 10.440 0.912 1.00 0.00 H ATOM 72 HB3 ALA A 5 -1.707 11.195 2.518 1.00 0.00 H ATOM 73 N THR A 6 -2.876 8.073 0.457 1.00 0.00 N ATOM 74 CA THR A 6 -3.710 7.192 -0.364 1.00 0.00 C ATOM 75 C THR A 6 -3.005 5.892 -0.747 1.00 0.00 C ATOM 76 O THR A 6 -3.470 4.803 -0.410 1.00 0.00 O ATOM 77 CB THR A 6 -4.131 7.932 -1.635 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.531 7.313 -2.763 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.678 9.391 -1.550 1.00 0.00 C ATOM 80 H THR A 6 -2.234 8.675 0.024 1.00 0.00 H ATOM 81 HA THR A 6 -4.600 6.945 0.194 1.00 0.00 H ATOM 82 HB THR A 6 -5.206 7.899 -1.733 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.580 7.429 -2.693 1.00 0.00 H ATOM 84 HG21 THR A 6 -4.140 9.865 -0.684 1.00 0.00 H ATOM 85 HG22 THR A 6 -3.978 9.918 -2.455 1.00 0.00 H ATOM 86 HG23 THR A 6 -2.593 9.430 -1.450 1.00 0.00 H ATOM 87 N CYS A 7 -1.895 6.006 -1.465 1.00 0.00 N ATOM 88 CA CYS A 7 -1.156 4.824 -1.899 1.00 0.00 C ATOM 89 C CYS A 7 -0.965 3.861 -0.730 1.00 0.00 C ATOM 90 O CYS A 7 -0.510 2.731 -0.907 1.00 0.00 O ATOM 91 CB CYS A 7 0.202 5.231 -2.473 1.00 0.00 C ATOM 92 SG CYS A 7 -0.018 6.077 -4.053 1.00 0.00 S ATOM 93 H CYS A 7 -1.573 6.894 -1.719 1.00 0.00 H ATOM 94 HA CYS A 7 -1.722 4.326 -2.671 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.689 5.902 -1.793 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.815 4.353 -2.616 1.00 0.00 H ATOM 97 N ALA A 8 -1.317 4.326 0.463 1.00 0.00 N ATOM 98 CA ALA A 8 -1.192 3.517 1.672 1.00 0.00 C ATOM 99 C ALA A 8 -1.903 2.172 1.516 1.00 0.00 C ATOM 100 O ALA A 8 -1.580 1.211 2.209 1.00 0.00 O ATOM 101 CB ALA A 8 -1.782 4.271 2.865 1.00 0.00 C ATOM 102 H ALA A 8 -1.674 5.236 0.535 1.00 0.00 H ATOM 103 HA ALA A 8 -0.145 3.336 1.862 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.686 3.662 3.764 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.836 4.479 2.679 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.246 5.210 3.003 1.00 0.00 H ATOM 107 N THR A 9 -2.864 2.114 0.599 1.00 0.00 N ATOM 108 CA THR A 9 -3.613 0.890 0.345 1.00 0.00 C ATOM 109 C THR A 9 -2.899 0.088 -0.723 1.00 0.00 C ATOM 110 O THR A 9 -3.099 -1.116 -0.883 1.00 0.00 O ATOM 111 CB THR A 9 -5.030 1.233 -0.126 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.841 0.067 -0.071 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.981 1.755 -1.562 1.00 0.00 C ATOM 114 H THR A 9 -3.061 2.905 0.064 1.00 0.00 H ATOM 115 HA THR A 9 -3.673 0.317 1.249 1.00 0.00 H ATOM 116 HB THR A 9 -5.448 1.993 0.515 1.00 0.00 H ATOM 117 HG1 THR A 9 -6.688 0.276 -0.469 1.00 0.00 H ATOM 118 HG21 THR A 9 -4.360 2.650 -1.603 1.00 0.00 H ATOM 119 HG22 THR A 9 -5.990 1.998 -1.895 1.00 0.00 H ATOM 120 HG23 THR A 9 -4.559 0.990 -2.213 1.00 0.00 H ATOM 121 N GLN A 10 -2.065 0.806 -1.449 1.00 0.00 N ATOM 122 CA GLN A 10 -1.281 0.254 -2.536 1.00 0.00 C ATOM 123 C GLN A 10 -0.187 -0.654 -1.999 1.00 0.00 C ATOM 124 O GLN A 10 -0.053 -1.803 -2.422 1.00 0.00 O ATOM 125 CB GLN A 10 -0.664 1.414 -3.312 1.00 0.00 C ATOM 126 CG GLN A 10 -0.449 1.027 -4.774 1.00 0.00 C ATOM 127 CD GLN A 10 0.899 0.336 -4.942 1.00 0.00 C ATOM 128 OE1 GLN A 10 1.392 -0.297 -4.008 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.530 0.418 -6.081 1.00 0.00 N ATOM 130 H GLN A 10 -1.970 1.751 -1.238 1.00 0.00 H ATOM 131 HA GLN A 10 -1.926 -0.311 -3.188 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.330 2.263 -3.266 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.280 1.680 -2.865 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.237 0.365 -5.095 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.469 1.922 -5.376 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.133 0.925 -6.827 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.400 -0.026 -6.193 1.00 0.00 H ATOM 138 N ARG A 11 0.584 -0.131 -1.056 1.00 0.00 N ATOM 139 CA ARG A 11 1.655 -0.903 -0.454 1.00 0.00 C ATOM 140 C ARG A 11 1.046 -1.937 0.473 1.00 0.00 C ATOM 141 O ARG A 11 1.596 -3.016 0.677 1.00 0.00 O ATOM 142 CB ARG A 11 2.597 0.014 0.330 1.00 0.00 C ATOM 143 CG ARG A 11 3.515 0.761 -0.645 1.00 0.00 C ATOM 144 CD ARG A 11 4.973 0.390 -0.366 1.00 0.00 C ATOM 145 NE ARG A 11 5.824 0.811 -1.475 1.00 0.00 N ATOM 146 CZ ARG A 11 7.093 0.422 -1.558 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.596 -0.359 -0.642 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.835 0.817 -2.557 1.00 0.00 N ATOM 149 H ARG A 11 0.416 0.783 -0.753 1.00 0.00 H ATOM 150 HA ARG A 11 2.213 -1.406 -1.231 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.015 0.728 0.896 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.196 -0.577 1.005 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.261 0.488 -1.660 1.00 0.00 H ATOM 154 HG3 ARG A 11 3.386 1.825 -0.516 1.00 0.00 H ATOM 155 HD2 ARG A 11 5.300 0.879 0.540 1.00 0.00 H ATOM 156 HD3 ARG A 11 5.050 -0.682 -0.239 1.00 0.00 H ATOM 157 HE ARG A 11 5.454 1.395 -2.169 1.00 0.00 H ATOM 158 HH11 ARG A 11 7.030 -0.663 0.123 1.00 0.00 H ATOM 159 HH12 ARG A 11 8.551 -0.652 -0.703 1.00 0.00 H ATOM 160 HH21 ARG A 11 7.450 1.413 -3.260 1.00 0.00 H ATOM 161 HH22 ARG A 11 8.789 0.523 -2.618 1.00 0.00 H ATOM 162 N LEU A 12 -0.115 -1.599 1.016 1.00 0.00 N ATOM 163 CA LEU A 12 -0.816 -2.505 1.900 1.00 0.00 C ATOM 164 C LEU A 12 -1.336 -3.695 1.097 1.00 0.00 C ATOM 165 O LEU A 12 -1.440 -4.812 1.602 1.00 0.00 O ATOM 166 CB LEU A 12 -1.958 -1.760 2.603 1.00 0.00 C ATOM 167 CG LEU A 12 -3.219 -2.627 2.692 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.954 -3.818 3.610 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.365 -1.791 3.264 1.00 0.00 C ATOM 170 H LEU A 12 -0.511 -0.728 0.804 1.00 0.00 H ATOM 171 HA LEU A 12 -0.126 -2.852 2.637 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.643 -1.490 3.600 1.00 0.00 H ATOM 173 HB3 LEU A 12 -2.179 -0.870 2.051 1.00 0.00 H ATOM 174 HG LEU A 12 -3.491 -2.981 1.712 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.850 -4.435 3.674 1.00 0.00 H ATOM 176 HD12 LEU A 12 -2.689 -3.459 4.605 1.00 0.00 H ATOM 177 HD13 LEU A 12 -2.133 -4.412 3.208 1.00 0.00 H ATOM 178 HD21 LEU A 12 -4.095 -1.436 4.258 1.00 0.00 H ATOM 179 HD22 LEU A 12 -5.264 -2.403 3.329 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.553 -0.938 2.612 1.00 0.00 H ATOM 181 N ALA A 13 -1.635 -3.432 -0.172 1.00 0.00 N ATOM 182 CA ALA A 13 -2.117 -4.444 -1.084 1.00 0.00 C ATOM 183 C ALA A 13 -0.966 -5.320 -1.473 1.00 0.00 C ATOM 184 O ALA A 13 -1.103 -6.514 -1.738 1.00 0.00 O ATOM 185 CB ALA A 13 -2.724 -3.796 -2.331 1.00 0.00 C ATOM 186 H ALA A 13 -1.497 -2.541 -0.510 1.00 0.00 H ATOM 187 HA ALA A 13 -2.847 -5.027 -0.599 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.082 -4.573 -3.007 1.00 0.00 H ATOM 189 HB2 ALA A 13 -1.966 -3.197 -2.836 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.557 -3.156 -2.040 1.00 0.00 H ATOM 191 N ASN A 14 0.168 -4.675 -1.511 1.00 0.00 N ATOM 192 CA ASN A 14 1.403 -5.323 -1.878 1.00 0.00 C ATOM 193 C ASN A 14 1.676 -6.497 -0.953 1.00 0.00 C ATOM 194 O ASN A 14 2.269 -7.497 -1.355 1.00 0.00 O ATOM 195 CB ASN A 14 2.560 -4.330 -1.815 1.00 0.00 C ATOM 196 CG ASN A 14 3.795 -4.926 -2.481 1.00 0.00 C ATOM 197 OD1 ASN A 14 4.167 -6.065 -2.201 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.455 -4.217 -3.355 1.00 0.00 N ATOM 199 H ASN A 14 0.164 -3.729 -1.283 1.00 0.00 H ATOM 200 HA ASN A 14 1.303 -5.676 -2.883 1.00 0.00 H ATOM 201 HB2 ASN A 14 2.281 -3.424 -2.326 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.783 -4.107 -0.784 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.153 -3.307 -3.578 1.00 0.00 H ATOM 204 HD22 ASN A 14 5.252 -4.593 -3.791 1.00 0.00 H ATOM 205 N PHE A 15 1.222 -6.370 0.286 1.00 0.00 N ATOM 206 CA PHE A 15 1.394 -7.425 1.268 1.00 0.00 C ATOM 207 C PHE A 15 0.140 -8.282 1.269 1.00 0.00 C ATOM 208 O PHE A 15 0.063 -9.325 1.914 1.00 0.00 O ATOM 209 CB PHE A 15 1.632 -6.796 2.650 1.00 0.00 C ATOM 210 CG PHE A 15 0.482 -7.112 3.584 1.00 0.00 C ATOM 211 CD1 PHE A 15 0.347 -8.396 4.123 1.00 0.00 C ATOM 212 CD2 PHE A 15 -0.450 -6.119 3.901 1.00 0.00 C ATOM 213 CE1 PHE A 15 -0.723 -8.685 4.976 1.00 0.00 C ATOM 214 CE2 PHE A 15 -1.519 -6.411 4.759 1.00 0.00 C ATOM 215 CZ PHE A 15 -1.656 -7.694 5.295 1.00 0.00 C ATOM 216 H PHE A 15 0.734 -5.556 0.540 1.00 0.00 H ATOM 217 HA PHE A 15 2.245 -8.031 0.998 1.00 0.00 H ATOM 218 HB2 PHE A 15 2.550 -7.182 3.067 1.00 0.00 H ATOM 219 HB3 PHE A 15 1.714 -5.723 2.536 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.065 -9.162 3.878 1.00 0.00 H ATOM 221 HD2 PHE A 15 -0.342 -5.129 3.488 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.831 -9.675 5.386 1.00 0.00 H ATOM 223 HE2 PHE A 15 -2.240 -5.646 5.005 1.00 0.00 H ATOM 224 HZ PHE A 15 -2.481 -7.921 5.953 1.00 0.00 H ATOM 225 N LEU A 16 -0.843 -7.790 0.538 1.00 0.00 N ATOM 226 CA LEU A 16 -2.129 -8.433 0.429 1.00 0.00 C ATOM 227 C LEU A 16 -2.239 -9.165 -0.899 1.00 0.00 C ATOM 228 O LEU A 16 -3.061 -10.067 -1.060 1.00 0.00 O ATOM 229 CB LEU A 16 -3.178 -7.333 0.505 1.00 0.00 C ATOM 230 CG LEU A 16 -4.366 -7.759 1.352 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.020 -7.548 2.826 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.565 -6.885 0.977 1.00 0.00 C ATOM 233 H LEU A 16 -0.703 -6.950 0.059 1.00 0.00 H ATOM 234 HA LEU A 16 -2.268 -9.120 1.246 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.731 -6.462 0.956 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.509 -7.089 -0.488 1.00 0.00 H ATOM 237 HG LEU A 16 -4.595 -8.799 1.170 1.00 0.00 H ATOM 238 HD11 LEU A 16 -4.865 -7.850 3.445 1.00 0.00 H ATOM 239 HD12 LEU A 16 -3.800 -6.495 3.001 1.00 0.00 H ATOM 240 HD13 LEU A 16 -3.148 -8.148 3.085 1.00 0.00 H ATOM 241 HD21 LEU A 16 -5.327 -5.839 1.169 1.00 0.00 H ATOM 242 HD22 LEU A 16 -6.429 -7.176 1.575 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.795 -7.017 -0.080 1.00 0.00 H ATOM 244 N VAL A 17 -1.406 -8.759 -1.849 1.00 0.00 N ATOM 245 CA VAL A 17 -1.416 -9.368 -3.167 1.00 0.00 C ATOM 246 C VAL A 17 -0.866 -10.789 -3.112 1.00 0.00 C ATOM 247 O VAL A 17 -1.427 -11.708 -3.709 1.00 0.00 O ATOM 248 CB VAL A 17 -0.586 -8.533 -4.143 1.00 0.00 C ATOM 249 CG1 VAL A 17 0.880 -8.540 -3.705 1.00 0.00 C ATOM 250 CG2 VAL A 17 -0.700 -9.129 -5.547 1.00 0.00 C ATOM 251 H VAL A 17 -0.778 -8.030 -1.661 1.00 0.00 H ATOM 252 HA VAL A 17 -2.433 -9.398 -3.515 1.00 0.00 H ATOM 253 HB VAL A 17 -0.953 -7.517 -4.149 1.00 0.00 H ATOM 254 HG11 VAL A 17 1.471 -7.945 -4.401 1.00 0.00 H ATOM 255 HG12 VAL A 17 1.252 -9.564 -3.697 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.963 -8.116 -2.704 1.00 0.00 H ATOM 257 HG21 VAL A 17 -0.329 -10.154 -5.538 1.00 0.00 H ATOM 258 HG22 VAL A 17 -0.109 -8.535 -6.244 1.00 0.00 H ATOM 259 HG23 VAL A 17 -1.744 -9.124 -5.861 1.00 0.00 H ATOM 260 N HIS A 18 0.238 -10.962 -2.394 1.00 0.00 N ATOM 261 CA HIS A 18 0.862 -12.273 -2.267 1.00 0.00 C ATOM 262 C HIS A 18 0.028 -13.179 -1.367 1.00 0.00 C ATOM 263 O HIS A 18 -0.403 -14.256 -1.782 1.00 0.00 O ATOM 264 CB HIS A 18 2.270 -12.124 -1.688 1.00 0.00 C ATOM 265 CG HIS A 18 3.119 -11.326 -2.637 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.594 -11.857 -3.827 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.586 -10.035 -2.591 1.00 0.00 C ATOM 268 CE1 HIS A 18 4.312 -10.898 -4.441 1.00 0.00 C ATOM 269 NE2 HIS A 18 4.339 -9.767 -3.730 1.00 0.00 N ATOM 270 H HIS A 18 0.642 -10.192 -1.941 1.00 0.00 H ATOM 271 HA HIS A 18 0.934 -12.722 -3.247 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.215 -11.614 -0.737 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.707 -13.101 -1.548 1.00 0.00 H ATOM 274 HD2 HIS A 18 3.396 -9.333 -1.791 1.00 0.00 H ATOM 275 HE1 HIS A 18 4.804 -11.026 -5.393 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.792 -8.929 -3.959 1.00 0.00 H ATOM 277 N SER A 19 -0.197 -12.737 -0.134 1.00 0.00 N ATOM 278 CA SER A 19 -0.982 -13.516 0.817 1.00 0.00 C ATOM 279 C SER A 19 -2.395 -12.951 0.933 1.00 0.00 C ATOM 280 O SER A 19 -3.368 -13.627 0.601 1.00 0.00 O ATOM 281 CB SER A 19 -0.308 -13.496 2.189 1.00 0.00 C ATOM 282 OG SER A 19 0.513 -14.649 2.326 1.00 0.00 O ATOM 283 H SER A 19 0.171 -11.872 0.142 1.00 0.00 H ATOM 284 HA SER A 19 -1.039 -14.539 0.472 1.00 0.00 H ATOM 285 HB2 SER A 19 0.302 -12.613 2.279 1.00 0.00 H ATOM 286 HB3 SER A 19 -1.067 -13.487 2.961 1.00 0.00 H ATOM 287 HG SER A 19 1.224 -14.436 2.932 1.00 0.00 H HETATM 288 N NH2 A 20 -2.563 -11.741 1.390 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -3.466 -11.368 1.469 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -1.786 -11.205 1.654 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 11 ATOM 1 N LYS A 1 5.084 9.971 -0.314 1.00 0.00 N ATOM 2 CA LYS A 1 3.990 10.906 0.076 1.00 0.00 C ATOM 3 C LYS A 1 2.643 10.264 -0.239 1.00 0.00 C ATOM 4 O LYS A 1 1.651 10.517 0.443 1.00 0.00 O ATOM 5 CB LYS A 1 4.140 12.214 -0.704 1.00 0.00 C ATOM 6 CG LYS A 1 4.483 13.350 0.261 1.00 0.00 C ATOM 7 CD LYS A 1 4.467 14.684 -0.491 1.00 0.00 C ATOM 8 CE LYS A 1 5.617 14.716 -1.501 1.00 0.00 C ATOM 9 NZ LYS A 1 6.066 16.123 -1.697 1.00 0.00 N ATOM 10 H1 LYS A 1 4.816 9.471 -1.185 1.00 0.00 H ATOM 11 H2 LYS A 1 5.239 9.282 0.450 1.00 0.00 H ATOM 12 H3 LYS A 1 5.957 10.509 -0.480 1.00 0.00 H ATOM 13 HA LYS A 1 4.054 11.108 1.135 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.930 12.109 -1.434 1.00 0.00 H ATOM 15 HB3 LYS A 1 3.213 12.441 -1.208 1.00 0.00 H ATOM 16 HG2 LYS A 1 3.754 13.379 1.058 1.00 0.00 H ATOM 17 HG3 LYS A 1 5.466 13.187 0.677 1.00 0.00 H ATOM 18 HD2 LYS A 1 3.526 14.792 -1.012 1.00 0.00 H ATOM 19 HD3 LYS A 1 4.585 15.495 0.209 1.00 0.00 H ATOM 20 HE2 LYS A 1 6.439 14.123 -1.130 1.00 0.00 H ATOM 21 HE3 LYS A 1 5.279 14.311 -2.444 1.00 0.00 H ATOM 22 HZ1 LYS A 1 6.083 16.344 -2.713 1.00 0.00 H ATOM 23 HZ2 LYS A 1 7.019 16.240 -1.300 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.408 16.767 -1.216 1.00 0.00 H ATOM 25 N CYS A 2 2.618 9.433 -1.276 1.00 0.00 N ATOM 26 CA CYS A 2 1.388 8.759 -1.676 1.00 0.00 C ATOM 27 C CYS A 2 1.019 7.673 -0.668 1.00 0.00 C ATOM 28 O CYS A 2 -0.094 7.653 -0.141 1.00 0.00 O ATOM 29 CB CYS A 2 1.565 8.135 -3.061 1.00 0.00 C ATOM 30 SG CYS A 2 -0.056 7.719 -3.752 1.00 0.00 S ATOM 31 H CYS A 2 3.441 9.271 -1.782 1.00 0.00 H ATOM 32 HA CYS A 2 0.589 9.483 -1.720 1.00 0.00 H ATOM 33 HB2 CYS A 2 2.063 8.838 -3.712 1.00 0.00 H ATOM 34 HB3 CYS A 2 2.162 7.238 -2.978 1.00 0.00 H ATOM 35 N ASN A 3 1.962 6.773 -0.407 1.00 0.00 N ATOM 36 CA ASN A 3 1.732 5.684 0.538 1.00 0.00 C ATOM 37 C ASN A 3 1.077 6.205 1.810 1.00 0.00 C ATOM 38 O ASN A 3 0.340 5.484 2.479 1.00 0.00 O ATOM 39 CB ASN A 3 3.067 5.025 0.893 1.00 0.00 C ATOM 40 CG ASN A 3 4.145 6.091 1.047 1.00 0.00 C ATOM 41 OD1 ASN A 3 3.880 7.276 0.847 1.00 0.00 O ATOM 42 ND2 ASN A 3 5.353 5.740 1.396 1.00 0.00 N ATOM 43 H ASN A 3 2.829 6.843 -0.858 1.00 0.00 H ATOM 44 HA ASN A 3 1.089 4.947 0.087 1.00 0.00 H ATOM 45 HB2 ASN A 3 2.962 4.481 1.821 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.350 4.341 0.107 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.561 4.792 1.556 1.00 0.00 H ATOM 48 HD22 ASN A 3 6.053 6.425 1.496 1.00 0.00 H ATOM 49 N THR A 4 1.363 7.453 2.141 1.00 0.00 N ATOM 50 CA THR A 4 0.809 8.061 3.343 1.00 0.00 C ATOM 51 C THR A 4 -0.684 8.359 3.196 1.00 0.00 C ATOM 52 O THR A 4 -1.447 8.187 4.146 1.00 0.00 O ATOM 53 CB THR A 4 1.556 9.356 3.660 1.00 0.00 C ATOM 54 OG1 THR A 4 1.266 10.327 2.664 1.00 0.00 O ATOM 55 CG2 THR A 4 3.061 9.084 3.690 1.00 0.00 C ATOM 56 H THR A 4 1.968 7.977 1.574 1.00 0.00 H ATOM 57 HA THR A 4 0.944 7.378 4.167 1.00 0.00 H ATOM 58 HB THR A 4 1.244 9.725 4.626 1.00 0.00 H ATOM 59 HG1 THR A 4 0.770 9.894 1.965 1.00 0.00 H ATOM 60 HG21 THR A 4 3.281 8.341 4.457 1.00 0.00 H ATOM 61 HG22 THR A 4 3.593 10.008 3.916 1.00 0.00 H ATOM 62 HG23 THR A 4 3.382 8.709 2.718 1.00 0.00 H ATOM 63 N ALA A 5 -1.095 8.843 2.026 1.00 0.00 N ATOM 64 CA ALA A 5 -2.501 9.194 1.828 1.00 0.00 C ATOM 65 C ALA A 5 -3.297 8.121 1.080 1.00 0.00 C ATOM 66 O ALA A 5 -4.152 7.460 1.669 1.00 0.00 O ATOM 67 CB ALA A 5 -2.591 10.512 1.059 1.00 0.00 C ATOM 68 H ALA A 5 -0.449 8.993 1.304 1.00 0.00 H ATOM 69 HA ALA A 5 -2.953 9.340 2.797 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.638 10.776 0.910 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.103 10.402 0.090 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.096 11.299 1.627 1.00 0.00 H ATOM 73 N THR A 6 -3.046 7.973 -0.220 1.00 0.00 N ATOM 74 CA THR A 6 -3.795 6.999 -1.017 1.00 0.00 C ATOM 75 C THR A 6 -3.042 5.685 -1.200 1.00 0.00 C ATOM 76 O THR A 6 -3.529 4.623 -0.813 1.00 0.00 O ATOM 77 CB THR A 6 -4.108 7.591 -2.393 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.902 8.034 -3.000 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.067 8.772 -2.239 1.00 0.00 C ATOM 80 H THR A 6 -2.376 8.543 -0.653 1.00 0.00 H ATOM 81 HA THR A 6 -4.729 6.794 -0.518 1.00 0.00 H ATOM 82 HB THR A 6 -4.568 6.839 -3.014 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.824 7.601 -3.854 1.00 0.00 H ATOM 84 HG21 THR A 6 -5.992 8.431 -1.773 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.288 9.192 -3.220 1.00 0.00 H ATOM 86 HG23 THR A 6 -4.606 9.536 -1.613 1.00 0.00 H ATOM 87 N CYS A 7 -1.868 5.758 -1.813 1.00 0.00 N ATOM 88 CA CYS A 7 -1.075 4.558 -2.066 1.00 0.00 C ATOM 89 C CYS A 7 -0.918 3.724 -0.797 1.00 0.00 C ATOM 90 O CYS A 7 -0.407 2.606 -0.834 1.00 0.00 O ATOM 91 CB CYS A 7 0.299 4.941 -2.619 1.00 0.00 C ATOM 92 SG CYS A 7 0.097 5.759 -4.220 1.00 0.00 S ATOM 93 H CYS A 7 -1.536 6.629 -2.117 1.00 0.00 H ATOM 94 HA CYS A 7 -1.588 3.965 -2.806 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.790 5.611 -1.937 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.899 4.051 -2.743 1.00 0.00 H ATOM 97 N ALA A 8 -1.354 4.280 0.327 1.00 0.00 N ATOM 98 CA ALA A 8 -1.253 3.583 1.606 1.00 0.00 C ATOM 99 C ALA A 8 -1.966 2.230 1.573 1.00 0.00 C ATOM 100 O ALA A 8 -1.629 1.335 2.343 1.00 0.00 O ATOM 101 CB ALA A 8 -1.863 4.445 2.714 1.00 0.00 C ATOM 102 H ALA A 8 -1.747 5.176 0.298 1.00 0.00 H ATOM 103 HA ALA A 8 -0.210 3.421 1.833 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.786 3.921 3.667 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.912 4.637 2.490 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.326 5.392 2.776 1.00 0.00 H ATOM 107 N THR A 9 -2.947 2.086 0.684 1.00 0.00 N ATOM 108 CA THR A 9 -3.689 0.834 0.569 1.00 0.00 C ATOM 109 C THR A 9 -3.046 -0.045 -0.484 1.00 0.00 C ATOM 110 O THR A 9 -3.196 -1.266 -0.496 1.00 0.00 O ATOM 111 CB THR A 9 -5.144 1.116 0.183 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.326 0.846 -1.200 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.474 2.581 0.468 1.00 0.00 C ATOM 114 H THR A 9 -3.163 2.823 0.080 1.00 0.00 H ATOM 115 HA THR A 9 -3.671 0.329 1.512 1.00 0.00 H ATOM 116 HB THR A 9 -5.798 0.485 0.763 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.461 0.712 -1.593 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.335 2.786 1.530 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.510 2.781 0.193 1.00 0.00 H ATOM 120 HG23 THR A 9 -4.813 3.223 -0.115 1.00 0.00 H ATOM 121 N GLN A 10 -2.335 0.623 -1.363 1.00 0.00 N ATOM 122 CA GLN A 10 -1.642 -0.012 -2.462 1.00 0.00 C ATOM 123 C GLN A 10 -0.448 -0.794 -1.949 1.00 0.00 C ATOM 124 O GLN A 10 -0.295 -1.980 -2.233 1.00 0.00 O ATOM 125 CB GLN A 10 -1.198 1.076 -3.430 1.00 0.00 C ATOM 126 CG GLN A 10 -0.060 0.581 -4.308 1.00 0.00 C ATOM 127 CD GLN A 10 -0.510 -0.629 -5.120 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.861 -0.496 -6.293 1.00 0.00 O ATOM 129 NE2 GLN A 10 -0.522 -1.809 -4.565 1.00 0.00 N ATOM 130 H GLN A 10 -2.269 1.588 -1.264 1.00 0.00 H ATOM 131 HA GLN A 10 -2.317 -0.684 -2.972 1.00 0.00 H ATOM 132 HB2 GLN A 10 -2.032 1.365 -4.051 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.861 1.930 -2.868 1.00 0.00 H ATOM 134 HG2 GLN A 10 0.224 1.379 -4.970 1.00 0.00 H ATOM 135 HG3 GLN A 10 0.785 0.310 -3.694 1.00 0.00 H ATOM 136 HE21 GLN A 10 -0.242 -1.913 -3.626 1.00 0.00 H ATOM 137 HE22 GLN A 10 -0.811 -2.594 -5.083 1.00 0.00 H ATOM 138 N ARG A 11 0.389 -0.114 -1.177 1.00 0.00 N ATOM 139 CA ARG A 11 1.562 -0.751 -0.610 1.00 0.00 C ATOM 140 C ARG A 11 1.104 -1.766 0.415 1.00 0.00 C ATOM 141 O ARG A 11 1.724 -2.813 0.603 1.00 0.00 O ATOM 142 CB ARG A 11 2.465 0.292 0.051 1.00 0.00 C ATOM 143 CG ARG A 11 3.835 -0.326 0.339 1.00 0.00 C ATOM 144 CD ARG A 11 4.487 0.403 1.514 1.00 0.00 C ATOM 145 NE ARG A 11 4.247 -0.324 2.757 1.00 0.00 N ATOM 146 CZ ARG A 11 3.547 0.211 3.758 1.00 0.00 C ATOM 147 NH1 ARG A 11 3.050 1.414 3.652 1.00 0.00 N ATOM 148 NH2 ARG A 11 3.358 -0.473 4.852 1.00 0.00 N ATOM 149 H ARG A 11 0.198 0.827 -0.972 1.00 0.00 H ATOM 150 HA ARG A 11 2.109 -1.254 -1.391 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.583 1.137 -0.612 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.018 0.621 0.976 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.711 -1.372 0.586 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.462 -0.234 -0.534 1.00 0.00 H ATOM 155 HD2 ARG A 11 5.551 0.470 1.343 1.00 0.00 H ATOM 156 HD3 ARG A 11 4.077 1.397 1.587 1.00 0.00 H ATOM 157 HE ARG A 11 4.608 -1.228 2.859 1.00 0.00 H ATOM 158 HH11 ARG A 11 3.188 1.946 2.818 1.00 0.00 H ATOM 159 HH12 ARG A 11 2.527 1.806 4.409 1.00 0.00 H ATOM 160 HH21 ARG A 11 3.735 -1.395 4.937 1.00 0.00 H ATOM 161 HH22 ARG A 11 2.835 -0.076 5.607 1.00 0.00 H ATOM 162 N LEU A 12 -0.008 -1.445 1.059 1.00 0.00 N ATOM 163 CA LEU A 12 -0.584 -2.326 2.054 1.00 0.00 C ATOM 164 C LEU A 12 -1.136 -3.578 1.379 1.00 0.00 C ATOM 165 O LEU A 12 -0.974 -4.694 1.868 1.00 0.00 O ATOM 166 CB LEU A 12 -1.690 -1.590 2.814 1.00 0.00 C ATOM 167 CG LEU A 12 -2.842 -2.544 3.139 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.310 -3.719 3.953 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.906 -1.800 3.950 1.00 0.00 C ATOM 170 H LEU A 12 -0.459 -0.601 0.848 1.00 0.00 H ATOM 171 HA LEU A 12 0.183 -2.602 2.743 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.288 -1.190 3.732 1.00 0.00 H ATOM 173 HB3 LEU A 12 -2.054 -0.788 2.205 1.00 0.00 H ATOM 174 HG LEU A 12 -3.277 -2.908 2.222 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.128 -4.400 4.186 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.870 -3.350 4.880 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.551 -4.247 3.376 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.466 -1.433 4.877 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.727 -2.478 4.182 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.284 -0.959 3.369 1.00 0.00 H ATOM 181 N ALA A 13 -1.774 -3.377 0.235 1.00 0.00 N ATOM 182 CA ALA A 13 -2.331 -4.468 -0.525 1.00 0.00 C ATOM 183 C ALA A 13 -1.209 -5.197 -1.194 1.00 0.00 C ATOM 184 O ALA A 13 -1.248 -6.399 -1.417 1.00 0.00 O ATOM 185 CB ALA A 13 -3.325 -3.951 -1.566 1.00 0.00 C ATOM 186 H ALA A 13 -1.847 -2.479 -0.119 1.00 0.00 H ATOM 187 HA ALA A 13 -2.822 -5.131 0.136 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.733 -4.791 -2.128 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.816 -3.271 -2.249 1.00 0.00 H ATOM 190 HB3 ALA A 13 -4.135 -3.422 -1.064 1.00 0.00 H ATOM 191 N ASN A 14 -0.215 -4.422 -1.516 1.00 0.00 N ATOM 192 CA ASN A 14 0.955 -4.932 -2.186 1.00 0.00 C ATOM 193 C ASN A 14 1.592 -6.053 -1.376 1.00 0.00 C ATOM 194 O ASN A 14 2.267 -6.924 -1.922 1.00 0.00 O ATOM 195 CB ASN A 14 1.975 -3.812 -2.405 1.00 0.00 C ATOM 196 CG ASN A 14 3.170 -4.344 -3.188 1.00 0.00 C ATOM 197 OD1 ASN A 14 4.246 -3.746 -3.162 1.00 0.00 O ATOM 198 ND2 ASN A 14 3.044 -5.438 -3.888 1.00 0.00 N ATOM 199 H ASN A 14 -0.279 -3.478 -1.292 1.00 0.00 H ATOM 200 HA ASN A 14 0.647 -5.310 -3.137 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.512 -3.008 -2.958 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.312 -3.442 -1.448 1.00 0.00 H ATOM 203 HD21 ASN A 14 2.182 -5.913 -3.906 1.00 0.00 H ATOM 204 HD22 ASN A 14 3.812 -5.787 -4.395 1.00 0.00 H ATOM 205 N PHE A 15 1.367 -6.023 -0.067 1.00 0.00 N ATOM 206 CA PHE A 15 1.916 -7.033 0.818 1.00 0.00 C ATOM 207 C PHE A 15 0.878 -8.109 1.062 1.00 0.00 C ATOM 208 O PHE A 15 1.185 -9.250 1.405 1.00 0.00 O ATOM 209 CB PHE A 15 2.305 -6.362 2.148 1.00 0.00 C ATOM 210 CG PHE A 15 1.328 -6.742 3.252 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.283 -8.060 3.728 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.465 -5.778 3.797 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.382 -8.411 4.740 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.436 -6.137 4.812 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.476 -7.452 5.279 1.00 0.00 C ATOM 216 H PHE A 15 0.806 -5.311 0.315 1.00 0.00 H ATOM 217 HA PHE A 15 2.792 -7.469 0.369 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.299 -6.671 2.426 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.291 -5.289 2.016 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.942 -8.802 3.320 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.492 -4.762 3.436 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.350 -9.426 5.100 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.100 -5.398 5.234 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.170 -7.727 6.060 1.00 0.00 H ATOM 225 N LEU A 16 -0.357 -7.691 0.927 1.00 0.00 N ATOM 226 CA LEU A 16 -1.490 -8.532 1.185 1.00 0.00 C ATOM 227 C LEU A 16 -2.119 -9.042 -0.102 1.00 0.00 C ATOM 228 O LEU A 16 -3.038 -9.861 -0.072 1.00 0.00 O ATOM 229 CB LEU A 16 -2.457 -7.663 1.972 1.00 0.00 C ATOM 230 CG LEU A 16 -3.883 -8.149 1.811 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.712 -7.558 2.949 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.428 -7.663 0.463 1.00 0.00 C ATOM 233 H LEU A 16 -0.517 -6.760 0.677 1.00 0.00 H ATOM 234 HA LEU A 16 -1.191 -9.365 1.798 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.180 -7.678 3.010 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.387 -6.649 1.613 1.00 0.00 H ATOM 237 HG LEU A 16 -3.913 -9.228 1.856 1.00 0.00 H ATOM 238 HD11 LEU A 16 -5.745 -7.892 2.858 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.677 -6.470 2.898 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.306 -7.890 3.905 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.406 -6.574 0.433 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.454 -8.009 0.339 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.812 -8.061 -0.343 1.00 0.00 H ATOM 244 N VAL A 17 -1.627 -8.550 -1.230 1.00 0.00 N ATOM 245 CA VAL A 17 -2.164 -8.962 -2.514 1.00 0.00 C ATOM 246 C VAL A 17 -1.606 -10.322 -2.923 1.00 0.00 C ATOM 247 O VAL A 17 -2.296 -11.120 -3.557 1.00 0.00 O ATOM 248 CB VAL A 17 -1.829 -7.930 -3.593 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.312 -7.854 -3.778 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.479 -8.349 -4.913 1.00 0.00 C ATOM 251 H VAL A 17 -0.899 -7.896 -1.195 1.00 0.00 H ATOM 252 HA VAL A 17 -3.231 -9.032 -2.423 1.00 0.00 H ATOM 253 HB VAL A 17 -2.206 -6.961 -3.297 1.00 0.00 H ATOM 254 HG11 VAL A 17 -0.076 -7.118 -4.547 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.067 -8.830 -4.081 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.155 -7.559 -2.838 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.098 -9.326 -5.212 1.00 0.00 H ATOM 258 HG22 VAL A 17 -2.242 -7.616 -5.684 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.560 -8.404 -4.785 1.00 0.00 H ATOM 260 N HIS A 18 -0.351 -10.576 -2.563 1.00 0.00 N ATOM 261 CA HIS A 18 0.290 -11.840 -2.904 1.00 0.00 C ATOM 262 C HIS A 18 -0.147 -12.941 -1.943 1.00 0.00 C ATOM 263 O HIS A 18 -0.753 -13.932 -2.352 1.00 0.00 O ATOM 264 CB HIS A 18 1.811 -11.687 -2.850 1.00 0.00 C ATOM 265 CG HIS A 18 2.268 -10.816 -3.986 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.404 -11.297 -5.279 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.623 -9.490 -4.041 1.00 0.00 C ATOM 268 CE1 HIS A 18 2.824 -10.278 -6.050 1.00 0.00 C ATOM 269 NE2 HIS A 18 2.973 -9.152 -5.345 1.00 0.00 N ATOM 270 H HIS A 18 0.152 -9.899 -2.063 1.00 0.00 H ATOM 271 HA HIS A 18 0.004 -12.119 -3.908 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.093 -11.234 -1.910 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.274 -12.659 -2.934 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.631 -8.812 -3.200 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.016 -10.359 -7.109 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.265 -8.277 -5.676 1.00 0.00 H ATOM 277 N SER A 19 0.164 -12.758 -0.665 1.00 0.00 N ATOM 278 CA SER A 19 -0.201 -13.743 0.348 1.00 0.00 C ATOM 279 C SER A 19 -1.098 -13.111 1.407 1.00 0.00 C ATOM 280 O SER A 19 -0.940 -13.373 2.599 1.00 0.00 O ATOM 281 CB SER A 19 1.059 -14.304 1.009 1.00 0.00 C ATOM 282 OG SER A 19 1.009 -15.724 0.983 1.00 0.00 O ATOM 283 H SER A 19 0.647 -11.949 -0.397 1.00 0.00 H ATOM 284 HA SER A 19 -0.736 -14.552 -0.126 1.00 0.00 H ATOM 285 HB2 SER A 19 1.929 -13.970 0.468 1.00 0.00 H ATOM 286 HB3 SER A 19 1.116 -13.953 2.030 1.00 0.00 H ATOM 287 HG SER A 19 0.619 -16.022 1.808 1.00 0.00 H HETATM 288 N NH2 A 20 -2.037 -12.283 1.040 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -2.618 -11.872 1.713 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.163 -12.075 0.090 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 12 ATOM 1 N LYS A 1 4.653 11.021 -0.524 1.00 0.00 N ATOM 2 CA LYS A 1 3.640 11.418 0.493 1.00 0.00 C ATOM 3 C LYS A 1 2.345 10.650 0.245 1.00 0.00 C ATOM 4 O LYS A 1 1.529 10.479 1.150 1.00 0.00 O ATOM 5 CB LYS A 1 3.384 12.924 0.397 1.00 0.00 C ATOM 6 CG LYS A 1 3.316 13.340 -1.073 1.00 0.00 C ATOM 7 CD LYS A 1 2.417 14.570 -1.214 1.00 0.00 C ATOM 8 CE LYS A 1 2.821 15.357 -2.462 1.00 0.00 C ATOM 9 NZ LYS A 1 3.711 16.486 -2.069 1.00 0.00 N ATOM 10 H1 LYS A 1 4.260 10.276 -1.133 1.00 0.00 H ATOM 11 H2 LYS A 1 5.504 10.663 -0.043 1.00 0.00 H ATOM 12 H3 LYS A 1 4.904 11.846 -1.105 1.00 0.00 H ATOM 13 HA LYS A 1 4.011 11.179 1.480 1.00 0.00 H ATOM 14 HB2 LYS A 1 2.448 13.162 0.882 1.00 0.00 H ATOM 15 HB3 LYS A 1 4.187 13.457 0.884 1.00 0.00 H ATOM 16 HG2 LYS A 1 4.309 13.577 -1.427 1.00 0.00 H ATOM 17 HG3 LYS A 1 2.909 12.530 -1.659 1.00 0.00 H ATOM 18 HD2 LYS A 1 1.388 14.255 -1.303 1.00 0.00 H ATOM 19 HD3 LYS A 1 2.528 15.198 -0.344 1.00 0.00 H ATOM 20 HE2 LYS A 1 3.346 14.705 -3.145 1.00 0.00 H ATOM 21 HE3 LYS A 1 1.936 15.747 -2.943 1.00 0.00 H ATOM 22 HZ1 LYS A 1 3.462 17.332 -2.619 1.00 0.00 H ATOM 23 HZ2 LYS A 1 4.702 16.227 -2.257 1.00 0.00 H ATOM 24 HZ3 LYS A 1 3.590 16.687 -1.057 1.00 0.00 H ATOM 25 N CYS A 2 2.163 10.186 -0.989 1.00 0.00 N ATOM 26 CA CYS A 2 0.963 9.435 -1.344 1.00 0.00 C ATOM 27 C CYS A 2 0.909 8.120 -0.570 1.00 0.00 C ATOM 28 O CYS A 2 -0.163 7.668 -0.169 1.00 0.00 O ATOM 29 CB CYS A 2 0.950 9.154 -2.851 1.00 0.00 C ATOM 30 SG CYS A 2 -0.087 7.710 -3.203 1.00 0.00 S ATOM 31 H CYS A 2 2.848 10.352 -1.670 1.00 0.00 H ATOM 32 HA CYS A 2 0.094 10.024 -1.092 1.00 0.00 H ATOM 33 HB2 CYS A 2 0.555 10.013 -3.372 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.959 8.963 -3.189 1.00 0.00 H ATOM 35 N ASN A 3 2.076 7.511 -0.365 1.00 0.00 N ATOM 36 CA ASN A 3 2.154 6.247 0.363 1.00 0.00 C ATOM 37 C ASN A 3 1.305 6.307 1.623 1.00 0.00 C ATOM 38 O ASN A 3 0.456 5.452 1.854 1.00 0.00 O ATOM 39 CB ASN A 3 3.609 5.953 0.741 1.00 0.00 C ATOM 40 CG ASN A 3 3.920 4.473 0.536 1.00 0.00 C ATOM 41 OD1 ASN A 3 3.223 3.787 -0.212 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.933 3.937 1.159 1.00 0.00 N ATOM 43 H ASN A 3 2.898 7.919 -0.709 1.00 0.00 H ATOM 44 HA ASN A 3 1.789 5.449 -0.261 1.00 0.00 H ATOM 45 HB2 ASN A 3 4.265 6.545 0.122 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.768 6.211 1.779 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.489 4.486 1.757 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.138 2.982 1.031 1.00 0.00 H ATOM 49 N THR A 4 1.548 7.321 2.435 1.00 0.00 N ATOM 50 CA THR A 4 0.811 7.490 3.678 1.00 0.00 C ATOM 51 C THR A 4 -0.629 7.944 3.433 1.00 0.00 C ATOM 52 O THR A 4 -1.485 7.780 4.302 1.00 0.00 O ATOM 53 CB THR A 4 1.522 8.516 4.563 1.00 0.00 C ATOM 54 OG1 THR A 4 2.926 8.310 4.486 1.00 0.00 O ATOM 55 CG2 THR A 4 1.058 8.351 6.011 1.00 0.00 C ATOM 56 H THR A 4 2.243 7.970 2.198 1.00 0.00 H ATOM 57 HA THR A 4 0.791 6.546 4.198 1.00 0.00 H ATOM 58 HB THR A 4 1.284 9.513 4.224 1.00 0.00 H ATOM 59 HG1 THR A 4 3.203 8.493 3.586 1.00 0.00 H ATOM 60 HG21 THR A 4 -0.019 8.508 6.068 1.00 0.00 H ATOM 61 HG22 THR A 4 1.565 9.082 6.641 1.00 0.00 H ATOM 62 HG23 THR A 4 1.297 7.346 6.357 1.00 0.00 H ATOM 63 N ALA A 5 -0.891 8.559 2.278 1.00 0.00 N ATOM 64 CA ALA A 5 -2.235 9.067 2.007 1.00 0.00 C ATOM 65 C ALA A 5 -3.088 8.147 1.125 1.00 0.00 C ATOM 66 O ALA A 5 -4.063 7.566 1.603 1.00 0.00 O ATOM 67 CB ALA A 5 -2.130 10.441 1.340 1.00 0.00 C ATOM 68 H ALA A 5 -0.172 8.704 1.628 1.00 0.00 H ATOM 69 HA ALA A 5 -2.743 9.195 2.950 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.130 10.824 1.136 1.00 0.00 H ATOM 71 HB2 ALA A 5 -1.578 10.350 0.404 1.00 0.00 H ATOM 72 HB3 ALA A 5 -1.607 11.129 2.004 1.00 0.00 H ATOM 73 N THR A 6 -2.769 8.060 -0.167 1.00 0.00 N ATOM 74 CA THR A 6 -3.585 7.250 -1.079 1.00 0.00 C ATOM 75 C THR A 6 -3.021 5.854 -1.343 1.00 0.00 C ATOM 76 O THR A 6 -3.680 4.852 -1.066 1.00 0.00 O ATOM 77 CB THR A 6 -3.733 7.987 -2.413 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.732 8.989 -2.511 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.116 8.637 -2.494 1.00 0.00 C ATOM 80 H THR A 6 -2.012 8.573 -0.517 1.00 0.00 H ATOM 81 HA THR A 6 -4.567 7.141 -0.647 1.00 0.00 H ATOM 82 HB THR A 6 -3.622 7.287 -3.227 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.454 9.042 -3.428 1.00 0.00 H ATOM 84 HG21 THR A 6 -5.885 7.868 -2.420 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.217 9.160 -3.445 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.233 9.347 -1.675 1.00 0.00 H ATOM 87 N CYS A 7 -1.821 5.788 -1.910 1.00 0.00 N ATOM 88 CA CYS A 7 -1.220 4.496 -2.239 1.00 0.00 C ATOM 89 C CYS A 7 -0.999 3.653 -0.984 1.00 0.00 C ATOM 90 O CYS A 7 -0.608 2.490 -1.066 1.00 0.00 O ATOM 91 CB CYS A 7 0.092 4.673 -3.014 1.00 0.00 C ATOM 92 SG CYS A 7 0.969 6.155 -2.463 1.00 0.00 S ATOM 93 H CYS A 7 -1.347 6.614 -2.135 1.00 0.00 H ATOM 94 HA CYS A 7 -1.914 3.966 -2.873 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.720 3.811 -2.854 1.00 0.00 H ATOM 96 HB3 CYS A 7 -0.129 4.761 -4.068 1.00 0.00 H ATOM 97 N ALA A 8 -1.255 4.244 0.172 1.00 0.00 N ATOM 98 CA ALA A 8 -1.086 3.530 1.433 1.00 0.00 C ATOM 99 C ALA A 8 -1.840 2.203 1.409 1.00 0.00 C ATOM 100 O ALA A 8 -1.505 1.286 2.154 1.00 0.00 O ATOM 101 CB ALA A 8 -1.605 4.385 2.591 1.00 0.00 C ATOM 102 H ALA A 8 -1.567 5.172 0.181 1.00 0.00 H ATOM 103 HA ALA A 8 -0.037 3.333 1.586 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.475 3.845 3.529 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.663 4.599 2.439 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.047 5.321 2.631 1.00 0.00 H ATOM 107 N THR A 9 -2.852 2.109 0.549 1.00 0.00 N ATOM 108 CA THR A 9 -3.642 0.890 0.430 1.00 0.00 C ATOM 109 C THR A 9 -3.054 0.010 -0.659 1.00 0.00 C ATOM 110 O THR A 9 -3.218 -1.210 -0.671 1.00 0.00 O ATOM 111 CB THR A 9 -5.091 1.239 0.081 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.571 2.223 0.986 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.959 -0.016 0.182 1.00 0.00 C ATOM 114 H THR A 9 -3.060 2.863 -0.035 1.00 0.00 H ATOM 115 HA THR A 9 -3.624 0.367 1.364 1.00 0.00 H ATOM 116 HB THR A 9 -5.137 1.621 -0.927 1.00 0.00 H ATOM 117 HG1 THR A 9 -5.986 2.920 0.472 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.591 -0.770 -0.514 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.990 0.234 -0.067 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.916 -0.408 1.198 1.00 0.00 H ATOM 121 N GLN A 10 -2.381 0.678 -1.572 1.00 0.00 N ATOM 122 CA GLN A 10 -1.747 0.045 -2.711 1.00 0.00 C ATOM 123 C GLN A 10 -0.530 -0.758 -2.283 1.00 0.00 C ATOM 124 O GLN A 10 -0.391 -1.932 -2.626 1.00 0.00 O ATOM 125 CB GLN A 10 -1.354 1.146 -3.695 1.00 0.00 C ATOM 126 CG GLN A 10 -0.248 0.672 -4.629 1.00 0.00 C ATOM 127 CD GLN A 10 -0.731 -0.504 -5.467 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.175 -1.600 -5.379 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.741 -0.346 -6.279 1.00 0.00 N ATOM 130 H GLN A 10 -2.304 1.642 -1.470 1.00 0.00 H ATOM 131 HA GLN A 10 -2.455 -0.613 -3.191 1.00 0.00 H ATOM 132 HB2 GLN A 10 -2.218 1.426 -4.277 1.00 0.00 H ATOM 133 HB3 GLN A 10 -1.006 2.003 -3.144 1.00 0.00 H ATOM 134 HG2 GLN A 10 0.019 1.490 -5.273 1.00 0.00 H ATOM 135 HG3 GLN A 10 0.617 0.377 -4.054 1.00 0.00 H ATOM 136 HE21 GLN A 10 -2.184 0.531 -6.346 1.00 0.00 H ATOM 137 HE22 GLN A 10 -2.056 -1.102 -6.821 1.00 0.00 H ATOM 138 N ARG A 11 0.344 -0.117 -1.519 1.00 0.00 N ATOM 139 CA ARG A 11 1.545 -0.781 -1.034 1.00 0.00 C ATOM 140 C ARG A 11 1.143 -1.765 0.045 1.00 0.00 C ATOM 141 O ARG A 11 1.807 -2.775 0.278 1.00 0.00 O ATOM 142 CB ARG A 11 2.525 0.247 -0.463 1.00 0.00 C ATOM 143 CG ARG A 11 3.885 -0.414 -0.235 1.00 0.00 C ATOM 144 CD ARG A 11 4.494 -0.816 -1.577 1.00 0.00 C ATOM 145 NE ARG A 11 5.910 -0.467 -1.615 1.00 0.00 N ATOM 146 CZ ARG A 11 6.311 0.738 -2.006 1.00 0.00 C ATOM 147 NH1 ARG A 11 5.433 1.630 -2.376 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.583 1.029 -2.022 1.00 0.00 N ATOM 149 H ARG A 11 0.168 0.813 -1.266 1.00 0.00 H ATOM 150 HA ARG A 11 2.014 -1.311 -1.848 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.635 1.065 -1.163 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.147 0.624 0.475 1.00 0.00 H ATOM 153 HG2 ARG A 11 4.542 0.282 0.265 1.00 0.00 H ATOM 154 HG3 ARG A 11 3.759 -1.294 0.379 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.387 -1.881 -1.716 1.00 0.00 H ATOM 156 HD3 ARG A 11 3.976 -0.301 -2.374 1.00 0.00 H ATOM 157 HE ARG A 11 6.577 -1.130 -1.341 1.00 0.00 H ATOM 158 HH11 ARG A 11 4.458 1.407 -2.365 1.00 0.00 H ATOM 159 HH12 ARG A 11 5.734 2.536 -2.669 1.00 0.00 H ATOM 160 HH21 ARG A 11 8.257 0.348 -1.739 1.00 0.00 H ATOM 161 HH22 ARG A 11 7.884 1.937 -2.316 1.00 0.00 H ATOM 162 N LEU A 12 0.032 -1.454 0.689 1.00 0.00 N ATOM 163 CA LEU A 12 -0.499 -2.299 1.736 1.00 0.00 C ATOM 164 C LEU A 12 -1.037 -3.598 1.138 1.00 0.00 C ATOM 165 O LEU A 12 -0.900 -4.674 1.718 1.00 0.00 O ATOM 166 CB LEU A 12 -1.604 -1.541 2.470 1.00 0.00 C ATOM 167 CG LEU A 12 -2.742 -2.481 2.868 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.200 -3.578 3.778 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.817 -1.683 3.611 1.00 0.00 C ATOM 170 H LEU A 12 -0.450 -0.637 0.444 1.00 0.00 H ATOM 171 HA LEU A 12 0.286 -2.520 2.426 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.194 -1.081 3.358 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.984 -0.781 1.821 1.00 0.00 H ATOM 174 HG LEU A 12 -3.171 -2.921 1.983 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.011 -4.249 4.062 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.770 -3.129 4.673 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.431 -4.142 3.250 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.384 -1.234 4.505 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.631 -2.348 3.897 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.202 -0.898 2.960 1.00 0.00 H ATOM 181 N ALA A 13 -1.635 -3.483 -0.039 1.00 0.00 N ATOM 182 CA ALA A 13 -2.179 -4.624 -0.736 1.00 0.00 C ATOM 183 C ALA A 13 -1.049 -5.407 -1.324 1.00 0.00 C ATOM 184 O ALA A 13 -1.099 -6.622 -1.473 1.00 0.00 O ATOM 185 CB ALA A 13 -3.145 -4.177 -1.833 1.00 0.00 C ATOM 186 H ALA A 13 -1.686 -2.613 -0.464 1.00 0.00 H ATOM 187 HA ALA A 13 -2.688 -5.235 -0.039 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.543 -5.052 -2.346 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.617 -3.547 -2.548 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.965 -3.613 -1.388 1.00 0.00 H ATOM 191 N ASN A 14 -0.040 -4.664 -1.673 1.00 0.00 N ATOM 192 CA ASN A 14 1.136 -5.231 -2.279 1.00 0.00 C ATOM 193 C ASN A 14 1.749 -6.291 -1.371 1.00 0.00 C ATOM 194 O ASN A 14 2.428 -7.205 -1.836 1.00 0.00 O ATOM 195 CB ASN A 14 2.163 -4.135 -2.565 1.00 0.00 C ATOM 196 CG ASN A 14 3.455 -4.755 -3.087 1.00 0.00 C ATOM 197 OD1 ASN A 14 4.481 -4.714 -2.408 1.00 0.00 O ATOM 198 ND2 ASN A 14 3.466 -5.330 -4.257 1.00 0.00 N ATOM 199 H ASN A 14 -0.099 -3.707 -1.515 1.00 0.00 H ATOM 200 HA ASN A 14 0.843 -5.681 -3.204 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.763 -3.456 -3.302 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.372 -3.594 -1.656 1.00 0.00 H ATOM 203 HD21 ASN A 14 2.642 -5.362 -4.795 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.296 -5.733 -4.598 1.00 0.00 H ATOM 205 N PHE A 15 1.496 -6.162 -0.074 1.00 0.00 N ATOM 206 CA PHE A 15 2.016 -7.109 0.896 1.00 0.00 C ATOM 207 C PHE A 15 0.959 -8.146 1.211 1.00 0.00 C ATOM 208 O PHE A 15 1.244 -9.259 1.650 1.00 0.00 O ATOM 209 CB PHE A 15 2.399 -6.348 2.177 1.00 0.00 C ATOM 210 CG PHE A 15 1.418 -6.656 3.300 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.387 -7.933 3.876 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.536 -5.666 3.760 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.485 -8.219 4.905 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.366 -5.959 4.793 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.391 -7.233 5.364 1.00 0.00 C ATOM 216 H PHE A 15 0.929 -5.422 0.243 1.00 0.00 H ATOM 217 HA PHE A 15 2.891 -7.593 0.493 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.391 -6.635 2.480 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.381 -5.286 1.972 1.00 0.00 H ATOM 220 HD1 PHE A 15 2.061 -8.696 3.530 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.549 -4.682 3.320 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.463 -9.203 5.345 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.045 -5.200 5.152 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.086 -7.456 6.159 1.00 0.00 H ATOM 225 N LEU A 16 -0.270 -7.717 1.035 1.00 0.00 N ATOM 226 CA LEU A 16 -1.419 -8.513 1.357 1.00 0.00 C ATOM 227 C LEU A 16 -2.064 -9.113 0.117 1.00 0.00 C ATOM 228 O LEU A 16 -2.995 -9.912 0.217 1.00 0.00 O ATOM 229 CB LEU A 16 -2.370 -7.570 2.074 1.00 0.00 C ATOM 230 CG LEU A 16 -3.802 -8.056 1.965 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.615 -7.385 3.069 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.360 -7.665 0.594 1.00 0.00 C ATOM 233 H LEU A 16 -0.413 -6.806 0.715 1.00 0.00 H ATOM 234 HA LEU A 16 -1.134 -9.301 2.033 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.086 -7.498 3.108 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.296 -6.590 1.627 1.00 0.00 H ATOM 237 HG LEU A 16 -3.834 -9.128 2.087 1.00 0.00 H ATOM 238 HD11 LEU A 16 -5.651 -7.719 3.012 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.575 -6.303 2.944 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.200 -7.653 4.041 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.332 -6.581 0.485 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.390 -8.011 0.508 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.756 -8.124 -0.189 1.00 0.00 H ATOM 244 N VAL A 17 -1.576 -8.724 -1.049 1.00 0.00 N ATOM 245 CA VAL A 17 -2.136 -9.238 -2.284 1.00 0.00 C ATOM 246 C VAL A 17 -1.570 -10.619 -2.597 1.00 0.00 C ATOM 247 O VAL A 17 -2.244 -11.458 -3.196 1.00 0.00 O ATOM 248 CB VAL A 17 -1.847 -8.284 -3.443 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.337 -8.177 -3.657 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.503 -8.824 -4.715 1.00 0.00 C ATOM 251 H VAL A 17 -0.836 -8.082 -1.079 1.00 0.00 H ATOM 252 HA VAL A 17 -3.199 -9.314 -2.157 1.00 0.00 H ATOM 253 HB VAL A 17 -2.251 -7.308 -3.215 1.00 0.00 H ATOM 254 HG11 VAL A 17 -0.134 -7.496 -4.484 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.068 -9.162 -3.890 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.133 -7.797 -2.750 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.097 -9.810 -4.943 1.00 0.00 H ATOM 258 HG22 VAL A 17 -2.300 -8.147 -5.545 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.580 -8.901 -4.565 1.00 0.00 H ATOM 260 N HIS A 18 -0.327 -10.847 -2.185 1.00 0.00 N ATOM 261 CA HIS A 18 0.321 -12.131 -2.423 1.00 0.00 C ATOM 262 C HIS A 18 -0.072 -13.133 -1.343 1.00 0.00 C ATOM 263 O HIS A 18 0.071 -14.343 -1.522 1.00 0.00 O ATOM 264 CB HIS A 18 1.840 -11.953 -2.431 1.00 0.00 C ATOM 265 CG HIS A 18 2.248 -11.189 -3.660 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.497 -11.813 -4.872 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.454 -9.848 -3.881 1.00 0.00 C ATOM 268 CE1 HIS A 18 2.835 -10.861 -5.759 1.00 0.00 C ATOM 269 NE2 HIS A 18 2.824 -9.644 -5.207 1.00 0.00 N ATOM 270 H HIS A 18 0.162 -10.142 -1.712 1.00 0.00 H ATOM 271 HA HIS A 18 0.009 -12.510 -3.384 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.144 -11.408 -1.549 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.316 -12.923 -2.437 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.345 -9.072 -3.139 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.085 -11.055 -6.792 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.032 -8.792 -5.642 1.00 0.00 H ATOM 277 N SER A 19 -0.570 -12.620 -0.223 1.00 0.00 N ATOM 278 CA SER A 19 -0.984 -13.478 0.880 1.00 0.00 C ATOM 279 C SER A 19 -1.747 -14.690 0.356 1.00 0.00 C ATOM 280 O SER A 19 -1.870 -15.699 1.049 1.00 0.00 O ATOM 281 CB SER A 19 -1.873 -12.690 1.842 1.00 0.00 C ATOM 282 OG SER A 19 -3.229 -13.061 1.640 1.00 0.00 O ATOM 283 H SER A 19 -0.663 -11.648 -0.139 1.00 0.00 H ATOM 284 HA SER A 19 -0.108 -13.816 1.411 1.00 0.00 H ATOM 285 HB2 SER A 19 -1.593 -12.912 2.859 1.00 0.00 H ATOM 286 HB3 SER A 19 -1.746 -11.630 1.660 1.00 0.00 H ATOM 287 HG SER A 19 -3.769 -12.564 2.260 1.00 0.00 H HETATM 288 N NH2 A 20 -2.274 -14.648 -0.838 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -2.767 -15.421 -1.182 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.176 -13.843 -1.389 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 13 ATOM 1 N LYS A 1 4.349 11.717 -1.256 1.00 0.00 N ATOM 2 CA LYS A 1 3.806 11.162 0.017 1.00 0.00 C ATOM 3 C LYS A 1 2.480 10.463 -0.261 1.00 0.00 C ATOM 4 O LYS A 1 1.495 10.676 0.445 1.00 0.00 O ATOM 5 CB LYS A 1 3.595 12.299 1.018 1.00 0.00 C ATOM 6 CG LYS A 1 4.834 12.433 1.905 1.00 0.00 C ATOM 7 CD LYS A 1 4.632 13.585 2.892 1.00 0.00 C ATOM 8 CE LYS A 1 3.727 13.127 4.037 1.00 0.00 C ATOM 9 NZ LYS A 1 2.594 14.084 4.185 1.00 0.00 N ATOM 10 H1 LYS A 1 4.076 11.102 -2.048 1.00 0.00 H ATOM 11 H2 LYS A 1 5.389 11.765 -1.197 1.00 0.00 H ATOM 12 H3 LYS A 1 3.967 12.670 -1.411 1.00 0.00 H ATOM 13 HA LYS A 1 4.509 10.450 0.426 1.00 0.00 H ATOM 14 HB2 LYS A 1 3.434 13.224 0.483 1.00 0.00 H ATOM 15 HB3 LYS A 1 2.736 12.084 1.634 1.00 0.00 H ATOM 16 HG2 LYS A 1 4.986 11.512 2.451 1.00 0.00 H ATOM 17 HG3 LYS A 1 5.697 12.634 1.292 1.00 0.00 H ATOM 18 HD2 LYS A 1 5.590 13.890 3.289 1.00 0.00 H ATOM 19 HD3 LYS A 1 4.171 14.419 2.382 1.00 0.00 H ATOM 20 HE2 LYS A 1 3.339 12.143 3.819 1.00 0.00 H ATOM 21 HE3 LYS A 1 4.294 13.097 4.954 1.00 0.00 H ATOM 22 HZ1 LYS A 1 2.962 15.021 4.441 1.00 0.00 H ATOM 23 HZ2 LYS A 1 1.952 13.746 4.932 1.00 0.00 H ATOM 24 HZ3 LYS A 1 2.076 14.151 3.287 1.00 0.00 H ATOM 25 N CYS A 2 2.463 9.626 -1.293 1.00 0.00 N ATOM 26 CA CYS A 2 1.253 8.900 -1.657 1.00 0.00 C ATOM 27 C CYS A 2 0.983 7.777 -0.659 1.00 0.00 C ATOM 28 O CYS A 2 -0.093 7.709 -0.064 1.00 0.00 O ATOM 29 CB CYS A 2 1.402 8.313 -3.063 1.00 0.00 C ATOM 30 SG CYS A 2 -0.228 7.866 -3.711 1.00 0.00 S ATOM 31 H CYS A 2 3.279 9.495 -1.820 1.00 0.00 H ATOM 32 HA CYS A 2 0.417 9.584 -1.650 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.858 9.046 -3.711 1.00 0.00 H ATOM 34 HB3 CYS A 2 2.026 7.433 -3.020 1.00 0.00 H ATOM 35 N ASN A 3 1.966 6.900 -0.479 1.00 0.00 N ATOM 36 CA ASN A 3 1.820 5.783 0.450 1.00 0.00 C ATOM 37 C ASN A 3 1.236 6.263 1.771 1.00 0.00 C ATOM 38 O ASN A 3 0.556 5.514 2.470 1.00 0.00 O ATOM 39 CB ASN A 3 3.182 5.133 0.700 1.00 0.00 C ATOM 40 CG ASN A 3 3.164 4.384 2.028 1.00 0.00 C ATOM 41 OD1 ASN A 3 2.557 3.319 2.134 1.00 0.00 O ATOM 42 ND2 ASN A 3 3.801 4.880 3.055 1.00 0.00 N ATOM 43 H ASN A 3 2.802 7.003 -0.982 1.00 0.00 H ATOM 44 HA ASN A 3 1.157 5.048 0.021 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.400 4.440 -0.098 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.944 5.897 0.731 1.00 0.00 H ATOM 47 HD21 ASN A 3 4.286 5.731 2.967 1.00 0.00 H ATOM 48 HD22 ASN A 3 3.793 4.402 3.914 1.00 0.00 H ATOM 49 N THR A 4 1.515 7.513 2.110 1.00 0.00 N ATOM 50 CA THR A 4 1.023 8.082 3.355 1.00 0.00 C ATOM 51 C THR A 4 -0.481 8.348 3.302 1.00 0.00 C ATOM 52 O THR A 4 -1.186 8.127 4.286 1.00 0.00 O ATOM 53 CB THR A 4 1.762 9.388 3.654 1.00 0.00 C ATOM 54 OG1 THR A 4 3.140 9.232 3.349 1.00 0.00 O ATOM 55 CG2 THR A 4 1.603 9.740 5.134 1.00 0.00 C ATOM 56 H THR A 4 2.070 8.060 1.516 1.00 0.00 H ATOM 57 HA THR A 4 1.223 7.387 4.156 1.00 0.00 H ATOM 58 HB THR A 4 1.347 10.183 3.054 1.00 0.00 H ATOM 59 HG1 THR A 4 3.208 8.797 2.495 1.00 0.00 H ATOM 60 HG21 THR A 4 0.545 9.861 5.368 1.00 0.00 H ATOM 61 HG22 THR A 4 2.130 10.670 5.345 1.00 0.00 H ATOM 62 HG23 THR A 4 2.020 8.940 5.745 1.00 0.00 H ATOM 63 N ALA A 5 -0.971 8.854 2.170 1.00 0.00 N ATOM 64 CA ALA A 5 -2.395 9.170 2.061 1.00 0.00 C ATOM 65 C ALA A 5 -3.201 8.094 1.325 1.00 0.00 C ATOM 66 O ALA A 5 -4.009 7.397 1.939 1.00 0.00 O ATOM 67 CB ALA A 5 -2.568 10.505 1.333 1.00 0.00 C ATOM 68 H ALA A 5 -0.371 9.039 1.417 1.00 0.00 H ATOM 69 HA ALA A 5 -2.797 9.276 3.055 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.629 10.740 1.252 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.135 10.434 0.335 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.063 11.293 1.893 1.00 0.00 H ATOM 73 N THR A 6 -3.013 7.989 0.011 1.00 0.00 N ATOM 74 CA THR A 6 -3.779 7.016 -0.774 1.00 0.00 C ATOM 75 C THR A 6 -3.009 5.723 -1.035 1.00 0.00 C ATOM 76 O THR A 6 -3.458 4.639 -0.656 1.00 0.00 O ATOM 77 CB THR A 6 -4.175 7.642 -2.115 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.120 8.473 -2.576 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.445 8.475 -1.940 1.00 0.00 C ATOM 80 H THR A 6 -2.382 8.586 -0.440 1.00 0.00 H ATOM 81 HA THR A 6 -4.682 6.776 -0.236 1.00 0.00 H ATOM 82 HB THR A 6 -4.360 6.861 -2.835 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.555 8.680 -1.826 1.00 0.00 H ATOM 84 HG21 THR A 6 -6.254 7.835 -1.587 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.724 8.919 -2.896 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.264 9.266 -1.212 1.00 0.00 H ATOM 87 N CYS A 7 -1.868 5.834 -1.706 1.00 0.00 N ATOM 88 CA CYS A 7 -1.071 4.658 -2.037 1.00 0.00 C ATOM 89 C CYS A 7 -0.835 3.786 -0.803 1.00 0.00 C ATOM 90 O CYS A 7 -0.321 2.673 -0.907 1.00 0.00 O ATOM 91 CB CYS A 7 0.265 5.079 -2.651 1.00 0.00 C ATOM 92 SG CYS A 7 -0.038 5.922 -4.224 1.00 0.00 S ATOM 93 H CYS A 7 -1.569 6.719 -2.003 1.00 0.00 H ATOM 94 HA CYS A 7 -1.614 4.079 -2.765 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.776 5.749 -1.984 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.874 4.204 -2.823 1.00 0.00 H ATOM 97 N ALA A 8 -1.213 4.301 0.361 1.00 0.00 N ATOM 98 CA ALA A 8 -1.041 3.567 1.611 1.00 0.00 C ATOM 99 C ALA A 8 -1.749 2.210 1.565 1.00 0.00 C ATOM 100 O ALA A 8 -1.379 1.291 2.294 1.00 0.00 O ATOM 101 CB ALA A 8 -1.598 4.388 2.775 1.00 0.00 C ATOM 102 H ALA A 8 -1.617 5.193 0.381 1.00 0.00 H ATOM 103 HA ALA A 8 0.011 3.403 1.778 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.467 3.836 3.705 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.659 4.577 2.612 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.065 5.337 2.839 1.00 0.00 H ATOM 107 N THR A 9 -2.761 2.091 0.705 1.00 0.00 N ATOM 108 CA THR A 9 -3.509 0.847 0.570 1.00 0.00 C ATOM 109 C THR A 9 -2.869 -0.002 -0.507 1.00 0.00 C ATOM 110 O THR A 9 -3.052 -1.217 -0.578 1.00 0.00 O ATOM 111 CB THR A 9 -4.963 1.149 0.188 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.987 2.175 -0.793 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.738 1.607 1.424 1.00 0.00 C ATOM 114 H THR A 9 -2.998 2.846 0.138 1.00 0.00 H ATOM 115 HA THR A 9 -3.493 0.319 1.500 1.00 0.00 H ATOM 116 HB THR A 9 -5.423 0.258 -0.210 1.00 0.00 H ATOM 117 HG1 THR A 9 -5.446 1.837 -1.566 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.719 0.820 2.178 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.771 1.820 1.148 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.277 2.508 1.829 1.00 0.00 H ATOM 121 N GLN A 10 -2.123 0.684 -1.346 1.00 0.00 N ATOM 122 CA GLN A 10 -1.427 0.073 -2.457 1.00 0.00 C ATOM 123 C GLN A 10 -0.268 -0.767 -1.959 1.00 0.00 C ATOM 124 O GLN A 10 -0.152 -1.948 -2.288 1.00 0.00 O ATOM 125 CB GLN A 10 -0.921 1.186 -3.372 1.00 0.00 C ATOM 126 CG GLN A 10 -0.786 0.682 -4.804 1.00 0.00 C ATOM 127 CD GLN A 10 0.617 0.131 -5.036 1.00 0.00 C ATOM 128 OE1 GLN A 10 0.917 -0.994 -4.637 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.500 0.862 -5.661 1.00 0.00 N ATOM 130 H GLN A 10 -2.031 1.641 -1.204 1.00 0.00 H ATOM 131 HA GLN A 10 -2.115 -0.553 -3.002 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.623 2.003 -3.352 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.038 1.531 -3.019 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.514 -0.092 -4.985 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.964 1.504 -5.478 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.255 1.762 -5.976 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.407 0.514 -5.814 1.00 0.00 H ATOM 138 N ARG A 11 0.577 -0.152 -1.144 1.00 0.00 N ATOM 139 CA ARG A 11 1.716 -0.858 -0.585 1.00 0.00 C ATOM 140 C ARG A 11 1.199 -1.883 0.405 1.00 0.00 C ATOM 141 O ARG A 11 1.765 -2.965 0.565 1.00 0.00 O ATOM 142 CB ARG A 11 2.653 0.122 0.121 1.00 0.00 C ATOM 143 CG ARG A 11 3.082 1.214 -0.862 1.00 0.00 C ATOM 144 CD ARG A 11 4.596 1.415 -0.771 1.00 0.00 C ATOM 145 NE ARG A 11 4.942 2.071 0.485 1.00 0.00 N ATOM 146 CZ ARG A 11 6.209 2.299 0.814 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.170 1.929 0.011 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.494 2.892 1.941 1.00 0.00 N ATOM 149 H ARG A 11 0.419 0.785 -0.903 1.00 0.00 H ATOM 150 HA ARG A 11 2.251 -1.362 -1.376 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.139 0.573 0.958 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.526 -0.404 0.475 1.00 0.00 H ATOM 153 HG2 ARG A 11 2.817 0.917 -1.867 1.00 0.00 H ATOM 154 HG3 ARG A 11 2.584 2.138 -0.616 1.00 0.00 H ATOM 155 HD2 ARG A 11 5.088 0.454 -0.818 1.00 0.00 H ATOM 156 HD3 ARG A 11 4.925 2.025 -1.600 1.00 0.00 H ATOM 157 HE ARG A 11 4.229 2.349 1.096 1.00 0.00 H ATOM 158 HH11 ARG A 11 6.951 1.473 -0.850 1.00 0.00 H ATOM 159 HH12 ARG A 11 8.122 2.103 0.258 1.00 0.00 H ATOM 160 HH21 ARG A 11 5.759 3.173 2.558 1.00 0.00 H ATOM 161 HH22 ARG A 11 7.448 3.064 2.187 1.00 0.00 H ATOM 162 N LEU A 12 0.104 -1.524 1.056 1.00 0.00 N ATOM 163 CA LEU A 12 -0.522 -2.398 2.023 1.00 0.00 C ATOM 164 C LEU A 12 -1.164 -3.597 1.325 1.00 0.00 C ATOM 165 O LEU A 12 -1.089 -4.725 1.805 1.00 0.00 O ATOM 166 CB LEU A 12 -1.569 -1.613 2.819 1.00 0.00 C ATOM 167 CG LEU A 12 -2.740 -2.517 3.207 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.225 -3.668 4.071 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.765 -1.702 4.000 1.00 0.00 C ATOM 170 H LEU A 12 -0.299 -0.650 0.869 1.00 0.00 H ATOM 171 HA LEU A 12 0.230 -2.744 2.697 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.112 -1.214 3.712 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.927 -0.807 2.214 1.00 0.00 H ATOM 174 HG LEU A 12 -3.204 -2.909 2.319 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.057 -4.315 4.349 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.760 -3.267 4.972 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.490 -4.244 3.509 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.296 -1.305 4.900 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.602 -2.342 4.279 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.128 -0.878 3.386 1.00 0.00 H ATOM 181 N ALA A 13 -1.783 -3.334 0.177 1.00 0.00 N ATOM 182 CA ALA A 13 -2.431 -4.366 -0.605 1.00 0.00 C ATOM 183 C ALA A 13 -1.377 -5.209 -1.249 1.00 0.00 C ATOM 184 O ALA A 13 -1.539 -6.407 -1.481 1.00 0.00 O ATOM 185 CB ALA A 13 -3.333 -3.744 -1.674 1.00 0.00 C ATOM 186 H ALA A 13 -1.786 -2.431 -0.161 1.00 0.00 H ATOM 187 HA ALA A 13 -3.011 -4.967 0.036 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.811 -4.535 -2.252 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.734 -3.121 -2.338 1.00 0.00 H ATOM 190 HB3 ALA A 13 -4.097 -3.132 -1.194 1.00 0.00 H ATOM 191 N ASN A 14 -0.299 -4.537 -1.533 1.00 0.00 N ATOM 192 CA ASN A 14 0.837 -5.153 -2.165 1.00 0.00 C ATOM 193 C ASN A 14 1.340 -6.315 -1.320 1.00 0.00 C ATOM 194 O ASN A 14 1.844 -7.311 -1.841 1.00 0.00 O ATOM 195 CB ASN A 14 1.955 -4.129 -2.355 1.00 0.00 C ATOM 196 CG ASN A 14 3.089 -4.740 -3.170 1.00 0.00 C ATOM 197 OD1 ASN A 14 2.938 -5.826 -3.730 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.223 -4.104 -3.269 1.00 0.00 N ATOM 199 H ASN A 14 -0.276 -3.595 -1.300 1.00 0.00 H ATOM 200 HA ASN A 14 0.524 -5.513 -3.122 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.564 -3.265 -2.874 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.331 -3.827 -1.389 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.339 -3.237 -2.820 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.959 -4.491 -3.795 1.00 0.00 H ATOM 205 N PHE A 15 1.180 -6.178 -0.009 1.00 0.00 N ATOM 206 CA PHE A 15 1.596 -7.214 0.923 1.00 0.00 C ATOM 207 C PHE A 15 0.398 -8.092 1.236 1.00 0.00 C ATOM 208 O PHE A 15 0.500 -9.123 1.900 1.00 0.00 O ATOM 209 CB PHE A 15 2.145 -6.554 2.199 1.00 0.00 C ATOM 210 CG PHE A 15 1.244 -6.855 3.381 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.261 -8.124 3.965 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.389 -5.865 3.882 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.421 -8.408 5.048 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.448 -6.150 4.969 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.431 -7.421 5.550 1.00 0.00 C ATOM 216 H PHE A 15 0.748 -5.370 0.341 1.00 0.00 H ATOM 217 HA PHE A 15 2.371 -7.813 0.468 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.135 -6.931 2.399 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.193 -5.484 2.050 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.920 -8.888 3.579 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.377 -4.882 3.434 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.431 -9.386 5.494 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.109 -5.390 5.356 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.079 -7.642 6.385 1.00 0.00 H ATOM 225 N LEU A 16 -0.742 -7.640 0.750 1.00 0.00 N ATOM 226 CA LEU A 16 -1.999 -8.313 0.960 1.00 0.00 C ATOM 227 C LEU A 16 -2.382 -9.081 -0.292 1.00 0.00 C ATOM 228 O LEU A 16 -3.218 -9.986 -0.255 1.00 0.00 O ATOM 229 CB LEU A 16 -3.035 -7.240 1.256 1.00 0.00 C ATOM 230 CG LEU A 16 -3.979 -7.677 2.365 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.334 -7.357 3.713 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.287 -6.896 2.224 1.00 0.00 C ATOM 233 H LEU A 16 -0.741 -6.811 0.234 1.00 0.00 H ATOM 234 HA LEU A 16 -1.921 -8.986 1.798 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.522 -6.348 1.577 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.592 -7.028 0.364 1.00 0.00 H ATOM 237 HG LEU A 16 -4.169 -8.737 2.289 1.00 0.00 H ATOM 238 HD11 LEU A 16 -4.001 -7.666 4.518 1.00 0.00 H ATOM 239 HD12 LEU A 16 -3.152 -6.285 3.784 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.388 -7.892 3.800 1.00 0.00 H ATOM 241 HD21 LEU A 16 -5.084 -5.828 2.307 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.977 -7.197 3.012 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.733 -7.106 1.252 1.00 0.00 H ATOM 244 N VAL A 17 -1.759 -8.707 -1.403 1.00 0.00 N ATOM 245 CA VAL A 17 -2.031 -9.357 -2.670 1.00 0.00 C ATOM 246 C VAL A 17 -1.229 -10.649 -2.790 1.00 0.00 C ATOM 247 O VAL A 17 -1.706 -11.642 -3.340 1.00 0.00 O ATOM 248 CB VAL A 17 -1.683 -8.420 -3.828 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.204 -8.581 -4.190 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.548 -8.769 -5.040 1.00 0.00 C ATOM 251 H VAL A 17 -1.104 -7.979 -1.366 1.00 0.00 H ATOM 252 HA VAL A 17 -3.080 -9.587 -2.713 1.00 0.00 H ATOM 253 HB VAL A 17 -1.872 -7.398 -3.531 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.043 -7.913 -5.015 1.00 0.00 H ATOM 255 HG12 VAL A 17 -0.012 -9.612 -4.488 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.411 -8.333 -3.325 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.359 -9.801 -5.337 1.00 0.00 H ATOM 258 HG22 VAL A 17 -2.302 -8.103 -5.867 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.601 -8.653 -4.781 1.00 0.00 H ATOM 260 N HIS A 18 -0.007 -10.628 -2.264 1.00 0.00 N ATOM 261 CA HIS A 18 0.857 -11.804 -2.308 1.00 0.00 C ATOM 262 C HIS A 18 0.221 -12.962 -1.550 1.00 0.00 C ATOM 263 O HIS A 18 0.427 -14.128 -1.888 1.00 0.00 O ATOM 264 CB HIS A 18 2.218 -11.478 -1.687 1.00 0.00 C ATOM 265 CG HIS A 18 3.175 -11.052 -2.766 1.00 0.00 C ATOM 266 ND1 HIS A 18 4.253 -11.834 -3.149 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.229 -9.929 -3.553 1.00 0.00 C ATOM 268 CE1 HIS A 18 4.904 -11.179 -4.127 1.00 0.00 C ATOM 269 NE2 HIS A 18 4.321 -10.011 -4.411 1.00 0.00 N ATOM 270 H HIS A 18 0.317 -9.809 -1.835 1.00 0.00 H ATOM 271 HA HIS A 18 1.004 -12.093 -3.338 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.104 -10.677 -0.971 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.604 -12.353 -1.188 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.529 -9.107 -3.512 1.00 0.00 H ATOM 275 HE1 HIS A 18 5.789 -11.550 -4.621 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.602 -9.353 -5.081 1.00 0.00 H ATOM 277 N SER A 19 -0.554 -12.632 -0.524 1.00 0.00 N ATOM 278 CA SER A 19 -1.217 -13.652 0.278 1.00 0.00 C ATOM 279 C SER A 19 -0.354 -14.907 0.363 1.00 0.00 C ATOM 280 O SER A 19 -0.608 -15.891 -0.333 1.00 0.00 O ATOM 281 CB SER A 19 -2.572 -13.997 -0.341 1.00 0.00 C ATOM 282 OG SER A 19 -2.981 -12.935 -1.194 1.00 0.00 O ATOM 283 H SER A 19 -0.681 -11.687 -0.301 1.00 0.00 H ATOM 284 HA SER A 19 -1.377 -13.267 1.273 1.00 0.00 H ATOM 285 HB2 SER A 19 -2.489 -14.901 -0.918 1.00 0.00 H ATOM 286 HB3 SER A 19 -3.301 -14.140 0.446 1.00 0.00 H ATOM 287 HG SER A 19 -2.811 -13.200 -2.101 1.00 0.00 H HETATM 288 N NH2 A 20 0.665 -14.929 1.179 1.00 0.00 N HETATM 289 HN1 NH2 A 20 1.230 -15.727 1.236 1.00 0.00 H HETATM 290 HN2 NH2 A 20 0.867 -14.145 1.733 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 14 ATOM 1 N LYS A 1 4.167 12.203 -1.483 1.00 0.00 N ATOM 2 CA LYS A 1 4.168 10.833 -0.898 1.00 0.00 C ATOM 3 C LYS A 1 2.734 10.414 -0.586 1.00 0.00 C ATOM 4 O LYS A 1 2.197 10.750 0.470 1.00 0.00 O ATOM 5 CB LYS A 1 5.000 10.831 0.387 1.00 0.00 C ATOM 6 CG LYS A 1 6.426 10.377 0.074 1.00 0.00 C ATOM 7 CD LYS A 1 7.275 10.441 1.346 1.00 0.00 C ATOM 8 CE LYS A 1 7.020 9.194 2.196 1.00 0.00 C ATOM 9 NZ LYS A 1 8.226 8.319 2.172 1.00 0.00 N ATOM 10 H1 LYS A 1 3.403 12.764 -1.056 1.00 0.00 H ATOM 11 H2 LYS A 1 4.020 12.140 -2.512 1.00 0.00 H ATOM 12 H3 LYS A 1 5.081 12.663 -1.290 1.00 0.00 H ATOM 13 HA LYS A 1 4.598 10.141 -1.605 1.00 0.00 H ATOM 14 HB2 LYS A 1 5.021 11.829 0.801 1.00 0.00 H ATOM 15 HB3 LYS A 1 4.557 10.154 1.102 1.00 0.00 H ATOM 16 HG2 LYS A 1 6.408 9.362 -0.296 1.00 0.00 H ATOM 17 HG3 LYS A 1 6.856 11.025 -0.675 1.00 0.00 H ATOM 18 HD2 LYS A 1 8.321 10.489 1.080 1.00 0.00 H ATOM 19 HD3 LYS A 1 7.007 11.322 1.913 1.00 0.00 H ATOM 20 HE2 LYS A 1 6.811 9.489 3.214 1.00 0.00 H ATOM 21 HE3 LYS A 1 6.173 8.653 1.797 1.00 0.00 H ATOM 22 HZ1 LYS A 1 8.485 8.057 3.143 1.00 0.00 H ATOM 23 HZ2 LYS A 1 9.016 8.829 1.726 1.00 0.00 H ATOM 24 HZ3 LYS A 1 8.019 7.457 1.627 1.00 0.00 H ATOM 25 N CYS A 2 2.119 9.682 -1.509 1.00 0.00 N ATOM 26 CA CYS A 2 0.748 9.225 -1.312 1.00 0.00 C ATOM 27 C CYS A 2 0.705 8.041 -0.349 1.00 0.00 C ATOM 28 O CYS A 2 -0.328 7.767 0.263 1.00 0.00 O ATOM 29 CB CYS A 2 0.109 8.840 -2.651 1.00 0.00 C ATOM 30 SG CYS A 2 1.308 7.965 -3.685 1.00 0.00 S ATOM 31 H CYS A 2 2.595 9.443 -2.332 1.00 0.00 H ATOM 32 HA CYS A 2 0.177 10.035 -0.882 1.00 0.00 H ATOM 33 HB2 CYS A 2 -0.741 8.198 -2.469 1.00 0.00 H ATOM 34 HB3 CYS A 2 -0.220 9.734 -3.160 1.00 0.00 H ATOM 35 N ASN A 3 1.832 7.342 -0.211 1.00 0.00 N ATOM 36 CA ASN A 3 1.896 6.191 0.689 1.00 0.00 C ATOM 37 C ASN A 3 1.224 6.535 2.006 1.00 0.00 C ATOM 38 O ASN A 3 0.660 5.671 2.676 1.00 0.00 O ATOM 39 CB ASN A 3 3.355 5.809 0.943 1.00 0.00 C ATOM 40 CG ASN A 3 3.446 4.363 1.426 1.00 0.00 C ATOM 41 OD1 ASN A 3 3.914 3.492 0.693 1.00 0.00 O ATOM 42 ND2 ASN A 3 3.025 4.056 2.623 1.00 0.00 N ATOM 43 H ASN A 3 2.627 7.603 -0.720 1.00 0.00 H ATOM 44 HA ASN A 3 1.385 5.352 0.245 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.917 5.915 0.027 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.771 6.461 1.694 1.00 0.00 H ATOM 47 HD21 ASN A 3 2.654 4.754 3.207 1.00 0.00 H ATOM 48 HD22 ASN A 3 3.082 3.126 2.939 1.00 0.00 H ATOM 49 N THR A 4 1.286 7.807 2.368 1.00 0.00 N ATOM 50 CA THR A 4 0.677 8.269 3.602 1.00 0.00 C ATOM 51 C THR A 4 -0.848 8.296 3.492 1.00 0.00 C ATOM 52 O THR A 4 -1.550 7.919 4.430 1.00 0.00 O ATOM 53 CB THR A 4 1.186 9.671 3.939 1.00 0.00 C ATOM 54 OG1 THR A 4 2.473 9.576 4.531 1.00 0.00 O ATOM 55 CG2 THR A 4 0.221 10.345 4.917 1.00 0.00 C ATOM 56 H THR A 4 1.746 8.450 1.788 1.00 0.00 H ATOM 57 HA THR A 4 0.957 7.599 4.400 1.00 0.00 H ATOM 58 HB THR A 4 1.246 10.260 3.037 1.00 0.00 H ATOM 59 HG1 THR A 4 3.028 10.258 4.147 1.00 0.00 H ATOM 60 HG21 THR A 4 -0.767 10.418 4.462 1.00 0.00 H ATOM 61 HG22 THR A 4 0.585 11.344 5.157 1.00 0.00 H ATOM 62 HG23 THR A 4 0.157 9.754 5.830 1.00 0.00 H ATOM 63 N ALA A 5 -1.359 8.779 2.358 1.00 0.00 N ATOM 64 CA ALA A 5 -2.806 8.883 2.181 1.00 0.00 C ATOM 65 C ALA A 5 -3.406 7.747 1.346 1.00 0.00 C ATOM 66 O ALA A 5 -4.147 6.915 1.871 1.00 0.00 O ATOM 67 CB ALA A 5 -3.140 10.219 1.515 1.00 0.00 C ATOM 68 H ALA A 5 -0.759 9.094 1.650 1.00 0.00 H ATOM 69 HA ALA A 5 -3.271 8.870 3.153 1.00 0.00 H ATOM 70 HB1 ALA A 5 -4.219 10.299 1.382 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.649 10.274 0.543 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.790 11.037 2.145 1.00 0.00 H ATOM 73 N THR A 6 -3.133 7.738 0.039 1.00 0.00 N ATOM 74 CA THR A 6 -3.719 6.718 -0.834 1.00 0.00 C ATOM 75 C THR A 6 -2.782 5.539 -1.096 1.00 0.00 C ATOM 76 O THR A 6 -3.112 4.399 -0.769 1.00 0.00 O ATOM 77 CB THR A 6 -4.112 7.356 -2.168 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.938 7.662 -2.909 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.905 8.639 -1.911 1.00 0.00 C ATOM 80 H THR A 6 -2.571 8.442 -0.345 1.00 0.00 H ATOM 81 HA THR A 6 -4.615 6.342 -0.366 1.00 0.00 H ATOM 82 HB THR A 6 -4.722 6.667 -2.731 1.00 0.00 H ATOM 83 HG1 THR A 6 -3.058 8.526 -3.312 1.00 0.00 H ATOM 84 HG21 THR A 6 -5.806 8.403 -1.344 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.184 9.091 -2.863 1.00 0.00 H ATOM 86 HG23 THR A 6 -4.292 9.338 -1.343 1.00 0.00 H ATOM 87 N CYS A 7 -1.629 5.802 -1.702 1.00 0.00 N ATOM 88 CA CYS A 7 -0.691 4.725 -2.005 1.00 0.00 C ATOM 89 C CYS A 7 -0.480 3.847 -0.775 1.00 0.00 C ATOM 90 O CYS A 7 0.150 2.792 -0.849 1.00 0.00 O ATOM 91 CB CYS A 7 0.650 5.291 -2.482 1.00 0.00 C ATOM 92 SG CYS A 7 0.429 6.181 -4.039 1.00 0.00 S ATOM 93 H CYS A 7 -1.412 6.722 -1.959 1.00 0.00 H ATOM 94 HA CYS A 7 -1.111 4.119 -2.794 1.00 0.00 H ATOM 95 HB2 CYS A 7 1.034 5.970 -1.745 1.00 0.00 H ATOM 96 HB3 CYS A 7 1.350 4.482 -2.627 1.00 0.00 H ATOM 97 N ALA A 8 -1.011 4.298 0.356 1.00 0.00 N ATOM 98 CA ALA A 8 -0.884 3.560 1.609 1.00 0.00 C ATOM 99 C ALA A 8 -1.628 2.228 1.545 1.00 0.00 C ATOM 100 O ALA A 8 -1.305 1.298 2.278 1.00 0.00 O ATOM 101 CB ALA A 8 -1.448 4.395 2.761 1.00 0.00 C ATOM 102 H ALA A 8 -1.498 5.148 0.350 1.00 0.00 H ATOM 103 HA ALA A 8 0.161 3.369 1.799 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.351 3.840 3.694 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.500 4.609 2.574 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.895 5.331 2.837 1.00 0.00 H ATOM 107 N THR A 9 -2.623 2.148 0.665 1.00 0.00 N ATOM 108 CA THR A 9 -3.406 0.932 0.504 1.00 0.00 C ATOM 109 C THR A 9 -2.785 0.084 -0.582 1.00 0.00 C ATOM 110 O THR A 9 -2.991 -1.126 -0.667 1.00 0.00 O ATOM 111 CB THR A 9 -4.847 1.281 0.127 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.490 1.899 1.235 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.600 0.005 -0.256 1.00 0.00 C ATOM 114 H THR A 9 -2.818 2.910 0.093 1.00 0.00 H ATOM 115 HA THR A 9 -3.408 0.389 1.429 1.00 0.00 H ATOM 116 HB THR A 9 -4.846 1.959 -0.713 1.00 0.00 H ATOM 117 HG1 THR A 9 -6.024 2.624 0.901 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.107 -0.467 -1.106 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.626 0.255 -0.524 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.603 -0.683 0.589 1.00 0.00 H ATOM 121 N GLN A 10 -2.025 0.768 -1.411 1.00 0.00 N ATOM 122 CA GLN A 10 -1.341 0.157 -2.526 1.00 0.00 C ATOM 123 C GLN A 10 -0.198 -0.714 -2.031 1.00 0.00 C ATOM 124 O GLN A 10 -0.094 -1.889 -2.386 1.00 0.00 O ATOM 125 CB GLN A 10 -0.811 1.257 -3.445 1.00 0.00 C ATOM 126 CG GLN A 10 0.272 0.684 -4.339 1.00 0.00 C ATOM 127 CD GLN A 10 0.164 1.271 -5.743 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.746 0.922 -6.494 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.045 2.146 -6.143 1.00 0.00 N ATOM 130 H GLN A 10 -1.913 1.721 -1.257 1.00 0.00 H ATOM 131 HA GLN A 10 -2.038 -0.454 -3.077 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.618 1.641 -4.054 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.398 2.056 -2.850 1.00 0.00 H ATOM 134 HG2 GLN A 10 1.241 0.918 -3.923 1.00 0.00 H ATOM 135 HG3 GLN A 10 0.147 -0.379 -4.386 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.772 2.422 -5.540 1.00 0.00 H ATOM 137 HE22 GLN A 10 0.982 2.529 -7.047 1.00 0.00 H ATOM 138 N ARG A 11 0.655 -0.129 -1.199 1.00 0.00 N ATOM 139 CA ARG A 11 1.783 -0.861 -0.648 1.00 0.00 C ATOM 140 C ARG A 11 1.268 -1.876 0.350 1.00 0.00 C ATOM 141 O ARG A 11 1.852 -2.943 0.542 1.00 0.00 O ATOM 142 CB ARG A 11 2.750 0.102 0.043 1.00 0.00 C ATOM 143 CG ARG A 11 4.175 -0.158 -0.452 1.00 0.00 C ATOM 144 CD ARG A 11 4.300 0.292 -1.909 1.00 0.00 C ATOM 145 NE ARG A 11 5.316 1.331 -2.030 1.00 0.00 N ATOM 146 CZ ARG A 11 5.195 2.312 -2.918 1.00 0.00 C ATOM 147 NH1 ARG A 11 4.147 2.367 -3.693 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.122 3.226 -3.010 1.00 0.00 N ATOM 149 H ARG A 11 0.510 0.805 -0.943 1.00 0.00 H ATOM 150 HA ARG A 11 2.298 -1.374 -1.445 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.469 1.120 -0.184 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.710 -0.052 1.112 1.00 0.00 H ATOM 153 HG2 ARG A 11 4.873 0.396 0.157 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.392 -1.213 -0.382 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.582 -0.553 -2.519 1.00 0.00 H ATOM 156 HD3 ARG A 11 3.349 0.675 -2.250 1.00 0.00 H ATOM 157 HE ARG A 11 6.103 1.303 -1.447 1.00 0.00 H ATOM 158 HH11 ARG A 11 3.433 1.669 -3.622 1.00 0.00 H ATOM 159 HH12 ARG A 11 4.057 3.105 -4.363 1.00 0.00 H ATOM 160 HH21 ARG A 11 6.924 3.185 -2.415 1.00 0.00 H ATOM 161 HH22 ARG A 11 6.032 3.966 -3.678 1.00 0.00 H ATOM 162 N LEU A 12 0.158 -1.527 0.982 1.00 0.00 N ATOM 163 CA LEU A 12 -0.458 -2.398 1.960 1.00 0.00 C ATOM 164 C LEU A 12 -1.033 -3.638 1.278 1.00 0.00 C ATOM 165 O LEU A 12 -0.944 -4.749 1.798 1.00 0.00 O ATOM 166 CB LEU A 12 -1.552 -1.628 2.704 1.00 0.00 C ATOM 167 CG LEU A 12 -2.761 -2.530 2.967 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.315 -3.746 3.772 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.818 -1.750 3.758 1.00 0.00 C ATOM 170 H LEU A 12 -0.259 -0.664 0.778 1.00 0.00 H ATOM 171 HA LEU A 12 0.290 -2.694 2.661 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.161 -1.270 3.645 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.854 -0.794 2.105 1.00 0.00 H ATOM 174 HG LEU A 12 -3.179 -2.856 2.030 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.173 -4.391 3.962 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.891 -3.418 4.721 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.563 -4.299 3.209 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.394 -1.424 4.708 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.679 -2.392 3.946 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.133 -0.879 3.183 1.00 0.00 H ATOM 181 N ALA A 13 -1.610 -3.431 0.104 1.00 0.00 N ATOM 182 CA ALA A 13 -2.187 -4.510 -0.667 1.00 0.00 C ATOM 183 C ALA A 13 -1.082 -5.313 -1.277 1.00 0.00 C ATOM 184 O ALA A 13 -1.190 -6.515 -1.497 1.00 0.00 O ATOM 185 CB ALA A 13 -3.103 -3.958 -1.760 1.00 0.00 C ATOM 186 H ALA A 13 -1.626 -2.537 -0.268 1.00 0.00 H ATOM 187 HA ALA A 13 -2.744 -5.132 -0.019 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.528 -4.784 -2.330 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.528 -3.315 -2.427 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.907 -3.380 -1.304 1.00 0.00 H ATOM 191 N ASN A 14 -0.030 -4.604 -1.565 1.00 0.00 N ATOM 192 CA ASN A 14 1.133 -5.190 -2.184 1.00 0.00 C ATOM 193 C ASN A 14 1.685 -6.329 -1.335 1.00 0.00 C ATOM 194 O ASN A 14 2.342 -7.236 -1.844 1.00 0.00 O ATOM 195 CB ASN A 14 2.214 -4.132 -2.396 1.00 0.00 C ATOM 196 CG ASN A 14 3.396 -4.738 -3.143 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.229 -5.702 -3.892 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.588 -4.229 -2.987 1.00 0.00 N ATOM 199 H ASN A 14 -0.045 -3.657 -1.354 1.00 0.00 H ATOM 200 HA ASN A 14 0.833 -5.572 -3.137 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.807 -3.313 -2.970 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.548 -3.764 -1.436 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.718 -3.459 -2.388 1.00 0.00 H ATOM 204 HD22 ASN A 14 5.355 -4.616 -3.467 1.00 0.00 H ATOM 205 N PHE A 15 1.410 -6.272 -0.037 1.00 0.00 N ATOM 206 CA PHE A 15 1.873 -7.299 0.879 1.00 0.00 C ATOM 207 C PHE A 15 0.778 -8.321 1.082 1.00 0.00 C ATOM 208 O PHE A 15 1.016 -9.493 1.371 1.00 0.00 O ATOM 209 CB PHE A 15 2.229 -6.637 2.222 1.00 0.00 C ATOM 210 CG PHE A 15 1.173 -6.944 3.278 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.004 -8.254 3.750 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.366 -5.917 3.788 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.035 -8.534 4.719 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.604 -6.204 4.760 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.766 -7.510 5.225 1.00 0.00 C ATOM 216 H PHE A 15 0.863 -5.533 0.315 1.00 0.00 H ATOM 217 HA PHE A 15 2.749 -7.778 0.473 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.187 -7.002 2.556 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.286 -5.567 2.080 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.619 -9.048 3.365 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.489 -4.907 3.429 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.095 -9.542 5.076 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.225 -5.416 5.157 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.514 -7.728 5.974 1.00 0.00 H ATOM 225 N LEU A 16 -0.427 -7.817 0.970 1.00 0.00 N ATOM 226 CA LEU A 16 -1.616 -8.586 1.187 1.00 0.00 C ATOM 227 C LEU A 16 -2.182 -9.110 -0.122 1.00 0.00 C ATOM 228 O LEU A 16 -3.141 -9.882 -0.133 1.00 0.00 O ATOM 229 CB LEU A 16 -2.587 -7.644 1.881 1.00 0.00 C ATOM 230 CG LEU A 16 -4.023 -8.067 1.638 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.897 -7.423 2.713 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.460 -7.581 0.253 1.00 0.00 C ATOM 233 H LEU A 16 -0.524 -6.869 0.758 1.00 0.00 H ATOM 234 HA LEU A 16 -1.397 -9.412 1.844 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.380 -7.637 2.935 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.441 -6.648 1.495 1.00 0.00 H ATOM 237 HG LEU A 16 -4.104 -9.143 1.698 1.00 0.00 H ATOM 238 HD11 LEU A 16 -5.936 -7.713 2.559 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.810 -6.338 2.651 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.569 -7.758 3.697 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.385 -6.494 0.208 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.492 -7.881 0.071 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.814 -8.021 -0.507 1.00 0.00 H ATOM 244 N VAL A 17 -1.590 -8.682 -1.229 1.00 0.00 N ATOM 245 CA VAL A 17 -2.061 -9.115 -2.530 1.00 0.00 C ATOM 246 C VAL A 17 -1.557 -10.520 -2.853 1.00 0.00 C ATOM 247 O VAL A 17 -2.241 -11.298 -3.517 1.00 0.00 O ATOM 248 CB VAL A 17 -1.603 -8.147 -3.624 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.074 -8.085 -3.648 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.111 -8.641 -4.980 1.00 0.00 C ATOM 251 H VAL A 17 -0.833 -8.063 -1.166 1.00 0.00 H ATOM 252 HA VAL A 17 -3.133 -9.122 -2.505 1.00 0.00 H ATOM 253 HB VAL A 17 -2.001 -7.163 -3.425 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.250 -7.395 -4.427 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.327 -9.078 -3.852 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.291 -7.738 -2.682 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.708 -9.634 -5.180 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.787 -7.954 -5.762 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.200 -8.687 -4.966 1.00 0.00 H ATOM 260 N HIS A 18 -0.353 -10.833 -2.383 1.00 0.00 N ATOM 261 CA HIS A 18 0.237 -12.145 -2.633 1.00 0.00 C ATOM 262 C HIS A 18 -0.325 -13.188 -1.673 1.00 0.00 C ATOM 263 O HIS A 18 -0.623 -14.314 -2.072 1.00 0.00 O ATOM 264 CB HIS A 18 1.757 -12.069 -2.476 1.00 0.00 C ATOM 265 CG HIS A 18 2.334 -11.234 -3.587 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.516 -11.733 -4.868 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.770 -9.932 -3.627 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.041 -10.747 -5.616 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.218 -9.628 -4.910 1.00 0.00 N ATOM 270 H HIS A 18 0.149 -10.172 -1.864 1.00 0.00 H ATOM 271 HA HIS A 18 0.010 -12.443 -3.645 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.998 -11.617 -1.525 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.175 -13.063 -2.519 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.767 -9.249 -2.791 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.292 -10.847 -6.663 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.583 -8.775 -5.225 1.00 0.00 H ATOM 277 N SER A 19 -0.465 -12.812 -0.406 1.00 0.00 N ATOM 278 CA SER A 19 -0.992 -13.730 0.597 1.00 0.00 C ATOM 279 C SER A 19 -2.324 -14.320 0.141 1.00 0.00 C ATOM 280 O SER A 19 -2.668 -14.247 -1.038 1.00 0.00 O ATOM 281 CB SER A 19 -1.187 -12.999 1.924 1.00 0.00 C ATOM 282 OG SER A 19 -1.272 -11.603 1.682 1.00 0.00 O ATOM 283 H SER A 19 -0.210 -11.903 -0.143 1.00 0.00 H ATOM 284 HA SER A 19 -0.285 -14.533 0.742 1.00 0.00 H ATOM 285 HB2 SER A 19 -2.098 -13.334 2.392 1.00 0.00 H ATOM 286 HB3 SER A 19 -0.351 -13.211 2.578 1.00 0.00 H ATOM 287 HG SER A 19 -0.641 -11.163 2.257 1.00 0.00 H HETATM 288 N NH2 A 20 -3.097 -14.904 1.014 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -3.955 -15.285 0.730 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.823 -14.962 1.953 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 15 ATOM 1 N LYS A 1 3.842 11.408 1.023 1.00 0.00 N ATOM 2 CA LYS A 1 3.486 11.426 -0.424 1.00 0.00 C ATOM 3 C LYS A 1 2.188 10.655 -0.635 1.00 0.00 C ATOM 4 O LYS A 1 1.196 10.885 0.058 1.00 0.00 O ATOM 5 CB LYS A 1 4.614 10.778 -1.230 1.00 0.00 C ATOM 6 CG LYS A 1 4.437 11.102 -2.715 1.00 0.00 C ATOM 7 CD LYS A 1 5.050 9.982 -3.557 1.00 0.00 C ATOM 8 CE LYS A 1 5.790 10.584 -4.755 1.00 0.00 C ATOM 9 NZ LYS A 1 6.014 9.528 -5.783 1.00 0.00 N ATOM 10 H1 LYS A 1 4.258 10.489 1.266 1.00 0.00 H ATOM 11 H2 LYS A 1 2.983 11.564 1.591 1.00 0.00 H ATOM 12 H3 LYS A 1 4.530 12.161 1.220 1.00 0.00 H ATOM 13 HA LYS A 1 3.354 12.447 -0.749 1.00 0.00 H ATOM 14 HB2 LYS A 1 5.566 11.160 -0.887 1.00 0.00 H ATOM 15 HB3 LYS A 1 4.586 9.706 -1.093 1.00 0.00 H ATOM 16 HG2 LYS A 1 3.385 11.192 -2.941 1.00 0.00 H ATOM 17 HG3 LYS A 1 4.934 12.034 -2.941 1.00 0.00 H ATOM 18 HD2 LYS A 1 5.743 9.415 -2.953 1.00 0.00 H ATOM 19 HD3 LYS A 1 4.266 9.331 -3.914 1.00 0.00 H ATOM 20 HE2 LYS A 1 5.198 11.381 -5.180 1.00 0.00 H ATOM 21 HE3 LYS A 1 6.741 10.977 -4.429 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.685 9.869 -6.708 1.00 0.00 H ATOM 23 HZ2 LYS A 1 5.486 8.671 -5.520 1.00 0.00 H ATOM 24 HZ3 LYS A 1 7.028 9.308 -5.838 1.00 0.00 H ATOM 25 N CYS A 2 2.203 9.738 -1.596 1.00 0.00 N ATOM 26 CA CYS A 2 1.024 8.933 -1.894 1.00 0.00 C ATOM 27 C CYS A 2 0.854 7.827 -0.855 1.00 0.00 C ATOM 28 O CYS A 2 -0.210 7.685 -0.252 1.00 0.00 O ATOM 29 CB CYS A 2 1.162 8.318 -3.289 1.00 0.00 C ATOM 30 SG CYS A 2 -0.441 7.683 -3.840 1.00 0.00 S ATOM 31 H CYS A 2 3.022 9.598 -2.114 1.00 0.00 H ATOM 32 HA CYS A 2 0.151 9.568 -1.877 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.507 9.071 -3.981 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.876 7.508 -3.254 1.00 0.00 H ATOM 35 N ASN A 3 1.913 7.047 -0.652 1.00 0.00 N ATOM 36 CA ASN A 3 1.880 5.953 0.315 1.00 0.00 C ATOM 37 C ASN A 3 1.261 6.411 1.628 1.00 0.00 C ATOM 38 O ASN A 3 0.684 5.616 2.364 1.00 0.00 O ATOM 39 CB ASN A 3 3.300 5.448 0.574 1.00 0.00 C ATOM 40 CG ASN A 3 4.293 6.594 0.420 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.229 7.574 1.163 1.00 0.00 O ATOM 42 ND2 ASN A 3 5.212 6.531 -0.504 1.00 0.00 N ATOM 43 H ASN A 3 2.733 7.210 -1.164 1.00 0.00 H ATOM 44 HA ASN A 3 1.291 5.142 -0.082 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.362 5.050 1.577 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.540 4.670 -0.137 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.260 5.746 -1.096 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.854 7.268 -0.608 1.00 0.00 H ATOM 49 N THR A 4 1.399 7.696 1.921 1.00 0.00 N ATOM 50 CA THR A 4 0.859 8.245 3.158 1.00 0.00 C ATOM 51 C THR A 4 -0.667 8.332 3.126 1.00 0.00 C ATOM 52 O THR A 4 -1.326 8.066 4.131 1.00 0.00 O ATOM 53 CB THR A 4 1.442 9.639 3.406 1.00 0.00 C ATOM 54 OG1 THR A 4 2.788 9.515 3.844 1.00 0.00 O ATOM 55 CG2 THR A 4 0.618 10.353 4.477 1.00 0.00 C ATOM 56 H THR A 4 1.879 8.284 1.302 1.00 0.00 H ATOM 57 HA THR A 4 1.151 7.603 3.976 1.00 0.00 H ATOM 58 HB THR A 4 1.411 10.210 2.492 1.00 0.00 H ATOM 59 HG1 THR A 4 3.362 9.731 3.106 1.00 0.00 H ATOM 60 HG21 THR A 4 -0.414 10.446 4.140 1.00 0.00 H ATOM 61 HG22 THR A 4 1.033 11.345 4.654 1.00 0.00 H ATOM 62 HG23 THR A 4 0.647 9.778 5.402 1.00 0.00 H ATOM 63 N ALA A 5 -1.229 8.743 1.988 1.00 0.00 N ATOM 64 CA ALA A 5 -2.681 8.892 1.898 1.00 0.00 C ATOM 65 C ALA A 5 -3.375 7.712 1.210 1.00 0.00 C ATOM 66 O ALA A 5 -4.082 6.944 1.863 1.00 0.00 O ATOM 67 CB ALA A 5 -3.013 10.177 1.138 1.00 0.00 C ATOM 68 H ALA A 5 -0.667 8.973 1.220 1.00 0.00 H ATOM 69 HA ALA A 5 -3.077 8.985 2.898 1.00 0.00 H ATOM 70 HB1 ALA A 5 -4.095 10.290 1.070 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.589 10.126 0.135 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.592 11.032 1.667 1.00 0.00 H ATOM 73 N THR A 6 -3.207 7.587 -0.107 1.00 0.00 N ATOM 74 CA THR A 6 -3.872 6.510 -0.843 1.00 0.00 C ATOM 75 C THR A 6 -2.960 5.311 -1.081 1.00 0.00 C ATOM 76 O THR A 6 -3.258 4.201 -0.643 1.00 0.00 O ATOM 77 CB THR A 6 -4.372 7.037 -2.190 1.00 0.00 C ATOM 78 OG1 THR A 6 -5.316 8.074 -1.970 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.031 5.901 -2.973 1.00 0.00 C ATOM 80 H THR A 6 -2.657 8.239 -0.589 1.00 0.00 H ATOM 81 HA THR A 6 -4.727 6.183 -0.271 1.00 0.00 H ATOM 82 HB THR A 6 -3.538 7.423 -2.758 1.00 0.00 H ATOM 83 HG1 THR A 6 -6.151 7.801 -2.354 1.00 0.00 H ATOM 84 HG21 THR A 6 -4.304 5.107 -3.143 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.386 6.278 -3.932 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.873 5.507 -2.404 1.00 0.00 H ATOM 87 N CYS A 7 -1.859 5.533 -1.788 1.00 0.00 N ATOM 88 CA CYS A 7 -0.933 4.447 -2.085 1.00 0.00 C ATOM 89 C CYS A 7 -0.605 3.660 -0.819 1.00 0.00 C ATOM 90 O CYS A 7 0.055 2.624 -0.866 1.00 0.00 O ATOM 91 CB CYS A 7 0.345 4.993 -2.725 1.00 0.00 C ATOM 92 SG CYS A 7 -0.065 5.756 -4.313 1.00 0.00 S ATOM 93 H CYS A 7 -1.673 6.434 -2.124 1.00 0.00 H ATOM 94 HA CYS A 7 -1.411 3.783 -2.789 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.785 5.731 -2.080 1.00 0.00 H ATOM 96 HB3 CYS A 7 1.043 4.186 -2.883 1.00 0.00 H ATOM 97 N ALA A 8 -1.068 4.169 0.316 1.00 0.00 N ATOM 98 CA ALA A 8 -0.826 3.516 1.598 1.00 0.00 C ATOM 99 C ALA A 8 -1.480 2.136 1.652 1.00 0.00 C ATOM 100 O ALA A 8 -1.049 1.274 2.414 1.00 0.00 O ATOM 101 CB ALA A 8 -1.384 4.378 2.732 1.00 0.00 C ATOM 102 H ALA A 8 -1.586 5.000 0.292 1.00 0.00 H ATOM 103 HA ALA A 8 0.238 3.406 1.738 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.201 3.886 3.687 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.457 4.512 2.593 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.893 5.351 2.725 1.00 0.00 H ATOM 107 N THR A 9 -2.517 1.932 0.841 1.00 0.00 N ATOM 108 CA THR A 9 -3.214 0.649 0.808 1.00 0.00 C ATOM 109 C THR A 9 -2.597 -0.228 -0.261 1.00 0.00 C ATOM 110 O THR A 9 -2.721 -1.451 -0.252 1.00 0.00 O ATOM 111 CB THR A 9 -4.700 0.861 0.510 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.191 -0.240 -0.242 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.886 2.151 -0.291 1.00 0.00 C ATOM 114 H THR A 9 -2.806 2.646 0.238 1.00 0.00 H ATOM 115 HA THR A 9 -3.111 0.170 1.762 1.00 0.00 H ATOM 116 HB THR A 9 -5.246 0.936 1.437 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.529 -0.468 -0.899 1.00 0.00 H ATOM 118 HG21 THR A 9 -4.509 2.995 0.286 1.00 0.00 H ATOM 119 HG22 THR A 9 -5.945 2.299 -0.502 1.00 0.00 H ATOM 120 HG23 THR A 9 -4.336 2.079 -1.229 1.00 0.00 H ATOM 121 N GLN A 10 -1.938 0.443 -1.178 1.00 0.00 N ATOM 122 CA GLN A 10 -1.275 -0.195 -2.295 1.00 0.00 C ATOM 123 C GLN A 10 -0.062 -0.957 -1.805 1.00 0.00 C ATOM 124 O GLN A 10 0.081 -2.153 -2.055 1.00 0.00 O ATOM 125 CB GLN A 10 -0.873 0.892 -3.285 1.00 0.00 C ATOM 126 CG GLN A 10 0.329 0.455 -4.111 1.00 0.00 C ATOM 127 CD GLN A 10 -0.003 -0.804 -4.903 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.136 -1.285 -4.862 1.00 0.00 O ATOM 129 NE2 GLN A 10 0.923 -1.373 -5.626 1.00 0.00 N ATOM 130 H GLN A 10 -1.884 1.409 -1.093 1.00 0.00 H ATOM 131 HA GLN A 10 -1.959 -0.878 -2.776 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.705 1.103 -3.938 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.617 1.784 -2.742 1.00 0.00 H ATOM 134 HG2 GLN A 10 0.581 1.251 -4.788 1.00 0.00 H ATOM 135 HG3 GLN A 10 1.169 0.263 -3.462 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.827 -0.987 -5.657 1.00 0.00 H ATOM 137 HE22 GLN A 10 0.715 -2.186 -6.139 1.00 0.00 H ATOM 138 N ARG A 11 0.795 -0.258 -1.072 1.00 0.00 N ATOM 139 CA ARG A 11 1.976 -0.889 -0.518 1.00 0.00 C ATOM 140 C ARG A 11 1.515 -1.937 0.472 1.00 0.00 C ATOM 141 O ARG A 11 2.067 -3.034 0.553 1.00 0.00 O ATOM 142 CB ARG A 11 2.852 0.148 0.190 1.00 0.00 C ATOM 143 CG ARG A 11 3.961 0.619 -0.753 1.00 0.00 C ATOM 144 CD ARG A 11 5.181 -0.288 -0.600 1.00 0.00 C ATOM 145 NE ARG A 11 6.041 -0.182 -1.777 1.00 0.00 N ATOM 146 CZ ARG A 11 7.337 0.116 -1.674 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.880 0.320 -0.502 1.00 0.00 N ATOM 148 NH2 ARG A 11 8.067 0.203 -2.752 1.00 0.00 N ATOM 149 H ARG A 11 0.612 0.685 -0.880 1.00 0.00 H ATOM 150 HA ARG A 11 2.541 -1.360 -1.309 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.242 0.994 0.480 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.294 -0.293 1.070 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.607 0.581 -1.773 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.236 1.634 -0.507 1.00 0.00 H ATOM 155 HD2 ARG A 11 5.734 0.004 0.277 1.00 0.00 H ATOM 156 HD3 ARG A 11 4.852 -1.312 -0.488 1.00 0.00 H ATOM 157 HE ARG A 11 5.655 -0.332 -2.663 1.00 0.00 H ATOM 158 HH11 ARG A 11 7.328 0.254 0.327 1.00 0.00 H ATOM 159 HH12 ARG A 11 8.853 0.543 -0.438 1.00 0.00 H ATOM 160 HH21 ARG A 11 7.655 0.048 -3.651 1.00 0.00 H ATOM 161 HH22 ARG A 11 9.039 0.426 -2.679 1.00 0.00 H ATOM 162 N LEU A 12 0.471 -1.580 1.208 1.00 0.00 N ATOM 163 CA LEU A 12 -0.106 -2.481 2.183 1.00 0.00 C ATOM 164 C LEU A 12 -0.816 -3.635 1.478 1.00 0.00 C ATOM 165 O LEU A 12 -0.749 -4.781 1.914 1.00 0.00 O ATOM 166 CB LEU A 12 -1.075 -1.713 3.087 1.00 0.00 C ATOM 167 CG LEU A 12 -2.241 -2.609 3.510 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.705 -3.812 4.279 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.189 -1.811 4.408 1.00 0.00 C ATOM 170 H LEU A 12 0.072 -0.695 1.078 1.00 0.00 H ATOM 171 HA LEU A 12 0.686 -2.872 2.781 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.548 -1.375 3.968 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.453 -0.862 2.554 1.00 0.00 H ATOM 174 HG LEU A 12 -2.775 -2.949 2.638 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.535 -4.450 4.580 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.171 -3.469 5.165 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.025 -4.378 3.642 1.00 0.00 H ATOM 178 HD21 LEU A 12 -2.651 -1.469 5.292 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.022 -2.445 4.712 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.570 -0.949 3.860 1.00 0.00 H ATOM 181 N ALA A 13 -1.479 -3.312 0.369 1.00 0.00 N ATOM 182 CA ALA A 13 -2.188 -4.295 -0.418 1.00 0.00 C ATOM 183 C ALA A 13 -1.188 -5.130 -1.156 1.00 0.00 C ATOM 184 O ALA A 13 -1.389 -6.314 -1.426 1.00 0.00 O ATOM 185 CB ALA A 13 -3.135 -3.613 -1.409 1.00 0.00 C ATOM 186 H ALA A 13 -1.470 -2.398 0.063 1.00 0.00 H ATOM 187 HA ALA A 13 -2.743 -4.914 0.227 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.659 -4.371 -1.992 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.561 -2.973 -2.079 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.860 -3.009 -0.863 1.00 0.00 H ATOM 191 N ASN A 14 -0.111 -4.471 -1.479 1.00 0.00 N ATOM 192 CA ASN A 14 0.970 -5.092 -2.204 1.00 0.00 C ATOM 193 C ASN A 14 1.493 -6.296 -1.435 1.00 0.00 C ATOM 194 O ASN A 14 1.951 -7.276 -2.023 1.00 0.00 O ATOM 195 CB ASN A 14 2.105 -4.094 -2.438 1.00 0.00 C ATOM 196 CG ASN A 14 3.229 -4.763 -3.223 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.008 -5.248 -4.333 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.428 -4.818 -2.710 1.00 0.00 N ATOM 199 H ASN A 14 -0.050 -3.538 -1.214 1.00 0.00 H ATOM 200 HA ASN A 14 0.585 -5.410 -3.149 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.731 -3.249 -2.998 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.487 -3.755 -1.488 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.600 -4.430 -1.822 1.00 0.00 H ATOM 204 HD22 ASN A 14 5.156 -5.248 -3.212 1.00 0.00 H ATOM 205 N PHE A 15 1.402 -6.216 -0.114 1.00 0.00 N ATOM 206 CA PHE A 15 1.843 -7.300 0.745 1.00 0.00 C ATOM 207 C PHE A 15 0.644 -8.173 1.069 1.00 0.00 C ATOM 208 O PHE A 15 0.753 -9.241 1.668 1.00 0.00 O ATOM 209 CB PHE A 15 2.461 -6.713 2.026 1.00 0.00 C ATOM 210 CG PHE A 15 1.614 -7.052 3.234 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.618 -8.353 3.750 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.818 -6.068 3.831 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.830 -8.667 4.862 1.00 0.00 C ATOM 214 CE2 PHE A 15 0.029 -6.384 4.944 1.00 0.00 C ATOM 215 CZ PHE A 15 0.035 -7.684 5.458 1.00 0.00 C ATOM 216 H PHE A 15 1.002 -5.417 0.294 1.00 0.00 H ATOM 217 HA PHE A 15 2.585 -7.888 0.227 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.453 -7.113 2.161 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.521 -5.637 1.924 1.00 0.00 H ATOM 220 HD1 PHE A 15 2.234 -9.113 3.291 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.817 -5.064 3.433 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.830 -9.668 5.256 1.00 0.00 H ATOM 223 HE2 PHE A 15 -0.584 -5.626 5.406 1.00 0.00 H ATOM 224 HZ PHE A 15 -0.573 -7.928 6.316 1.00 0.00 H ATOM 225 N LEU A 16 -0.507 -7.669 0.664 1.00 0.00 N ATOM 226 CA LEU A 16 -1.768 -8.326 0.895 1.00 0.00 C ATOM 227 C LEU A 16 -2.237 -9.005 -0.379 1.00 0.00 C ATOM 228 O LEU A 16 -3.074 -9.908 -0.351 1.00 0.00 O ATOM 229 CB LEU A 16 -2.759 -7.249 1.308 1.00 0.00 C ATOM 230 CG LEU A 16 -3.650 -7.727 2.442 1.00 0.00 C ATOM 231 CD1 LEU A 16 -2.958 -7.417 3.770 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.977 -6.970 2.368 1.00 0.00 C ATOM 233 H LEU A 16 -0.509 -6.811 0.196 1.00 0.00 H ATOM 234 HA LEU A 16 -1.668 -9.050 1.686 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.208 -6.387 1.646 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.363 -6.977 0.462 1.00 0.00 H ATOM 237 HG LEU A 16 -3.824 -8.789 2.353 1.00 0.00 H ATOM 238 HD11 LEU A 16 -3.586 -7.754 4.595 1.00 0.00 H ATOM 239 HD12 LEU A 16 -2.796 -6.342 3.854 1.00 0.00 H ATOM 240 HD13 LEU A 16 -1.999 -7.933 3.810 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.792 -5.900 2.466 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.630 -7.301 3.176 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.456 -7.169 1.409 1.00 0.00 H ATOM 244 N VAL A 17 -1.688 -8.555 -1.501 1.00 0.00 N ATOM 245 CA VAL A 17 -2.050 -9.113 -2.790 1.00 0.00 C ATOM 246 C VAL A 17 -1.466 -10.513 -2.943 1.00 0.00 C ATOM 247 O VAL A 17 -2.146 -11.434 -3.394 1.00 0.00 O ATOM 248 CB VAL A 17 -1.548 -8.207 -3.917 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.144 -8.640 -4.344 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.498 -8.307 -5.113 1.00 0.00 C ATOM 251 H VAL A 17 -1.029 -7.830 -1.458 1.00 0.00 H ATOM 252 HA VAL A 17 -3.123 -9.171 -2.843 1.00 0.00 H ATOM 253 HB VAL A 17 -1.516 -7.184 -3.566 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.208 -7.992 -5.146 1.00 0.00 H ATOM 255 HG12 VAL A 17 -0.173 -9.671 -4.697 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.534 -8.566 -3.494 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.533 -9.338 -5.464 1.00 0.00 H ATOM 258 HG22 VAL A 17 -2.141 -7.662 -5.916 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.497 -7.992 -4.811 1.00 0.00 H ATOM 260 N HIS A 18 -0.203 -10.664 -2.555 1.00 0.00 N ATOM 261 CA HIS A 18 0.464 -11.957 -2.646 1.00 0.00 C ATOM 262 C HIS A 18 -0.159 -12.941 -1.660 1.00 0.00 C ATOM 263 O HIS A 18 -0.124 -14.153 -1.873 1.00 0.00 O ATOM 264 CB HIS A 18 1.954 -11.800 -2.339 1.00 0.00 C ATOM 265 CG HIS A 18 2.664 -11.262 -3.550 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.134 -12.089 -4.559 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.997 -9.985 -3.927 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.717 -11.306 -5.486 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.661 -10.014 -5.150 1.00 0.00 N ATOM 270 H HIS A 18 0.286 -9.893 -2.199 1.00 0.00 H ATOM 271 HA HIS A 18 0.350 -12.342 -3.649 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.081 -11.115 -1.513 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.370 -12.762 -2.076 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.774 -9.092 -3.362 1.00 0.00 H ATOM 275 HE1 HIS A 18 4.174 -11.677 -6.391 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.014 -9.253 -5.655 1.00 0.00 H ATOM 277 N SER A 19 -0.729 -12.409 -0.583 1.00 0.00 N ATOM 278 CA SER A 19 -1.357 -13.247 0.430 1.00 0.00 C ATOM 279 C SER A 19 -2.578 -12.548 1.020 1.00 0.00 C ATOM 280 O SER A 19 -3.603 -12.410 0.352 1.00 0.00 O ATOM 281 CB SER A 19 -0.358 -13.562 1.544 1.00 0.00 C ATOM 282 OG SER A 19 0.258 -12.356 1.976 1.00 0.00 O ATOM 283 H SER A 19 -0.727 -11.435 -0.469 1.00 0.00 H ATOM 284 HA SER A 19 -1.672 -14.173 -0.027 1.00 0.00 H ATOM 285 HB2 SER A 19 -0.872 -14.016 2.374 1.00 0.00 H ATOM 286 HB3 SER A 19 0.391 -14.248 1.170 1.00 0.00 H ATOM 287 HG SER A 19 -0.184 -12.069 2.779 1.00 0.00 H HETATM 288 N NH2 A 20 -2.531 -12.093 2.242 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -3.309 -11.641 2.626 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -1.715 -12.204 2.774 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 16 ATOM 1 N LYS A 1 3.388 12.592 -0.425 1.00 0.00 N ATOM 2 CA LYS A 1 3.680 11.135 -0.320 1.00 0.00 C ATOM 3 C LYS A 1 2.398 10.347 -0.564 1.00 0.00 C ATOM 4 O LYS A 1 1.384 10.570 0.099 1.00 0.00 O ATOM 5 CB LYS A 1 4.225 10.825 1.075 1.00 0.00 C ATOM 6 CG LYS A 1 5.696 10.417 0.970 1.00 0.00 C ATOM 7 CD LYS A 1 6.204 9.975 2.343 1.00 0.00 C ATOM 8 CE LYS A 1 7.325 8.949 2.163 1.00 0.00 C ATOM 9 NZ LYS A 1 6.828 7.811 1.340 1.00 0.00 N ATOM 10 H1 LYS A 1 3.323 13.003 0.527 1.00 0.00 H ATOM 11 H2 LYS A 1 2.485 12.729 -0.925 1.00 0.00 H ATOM 12 H3 LYS A 1 4.150 13.062 -0.952 1.00 0.00 H ATOM 13 HA LYS A 1 4.415 10.863 -1.064 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.138 11.703 1.699 1.00 0.00 H ATOM 15 HB3 LYS A 1 3.659 10.016 1.512 1.00 0.00 H ATOM 16 HG2 LYS A 1 5.792 9.600 0.270 1.00 0.00 H ATOM 17 HG3 LYS A 1 6.279 11.259 0.626 1.00 0.00 H ATOM 18 HD2 LYS A 1 6.583 10.832 2.880 1.00 0.00 H ATOM 19 HD3 LYS A 1 5.396 9.527 2.901 1.00 0.00 H ATOM 20 HE2 LYS A 1 8.163 9.414 1.665 1.00 0.00 H ATOM 21 HE3 LYS A 1 7.638 8.584 3.131 1.00 0.00 H ATOM 22 HZ1 LYS A 1 7.114 6.913 1.779 1.00 0.00 H ATOM 23 HZ2 LYS A 1 7.233 7.875 0.383 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.792 7.852 1.283 1.00 0.00 H ATOM 25 N CYS A 2 2.447 9.427 -1.519 1.00 0.00 N ATOM 26 CA CYS A 2 1.282 8.615 -1.843 1.00 0.00 C ATOM 27 C CYS A 2 1.046 7.559 -0.767 1.00 0.00 C ATOM 28 O CYS A 2 -0.022 7.511 -0.155 1.00 0.00 O ATOM 29 CB CYS A 2 1.481 7.933 -3.198 1.00 0.00 C ATOM 30 SG CYS A 2 -0.128 7.448 -3.872 1.00 0.00 S ATOM 31 H CYS A 2 3.281 9.293 -2.018 1.00 0.00 H ATOM 32 HA CYS A 2 0.415 9.255 -1.900 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.963 8.620 -3.878 1.00 0.00 H ATOM 34 HB3 CYS A 2 2.099 7.056 -3.074 1.00 0.00 H ATOM 35 N ASN A 3 2.045 6.709 -0.546 1.00 0.00 N ATOM 36 CA ASN A 3 1.934 5.651 0.454 1.00 0.00 C ATOM 37 C ASN A 3 1.337 6.193 1.746 1.00 0.00 C ATOM 38 O ASN A 3 0.679 5.468 2.492 1.00 0.00 O ATOM 39 CB ASN A 3 3.318 5.062 0.740 1.00 0.00 C ATOM 40 CG ASN A 3 3.676 4.019 -0.313 1.00 0.00 C ATOM 41 OD1 ASN A 3 2.889 3.109 -0.578 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.821 4.097 -0.933 1.00 0.00 N ATOM 43 H ASN A 3 2.870 6.792 -1.068 1.00 0.00 H ATOM 44 HA ASN A 3 1.295 4.868 0.074 1.00 0.00 H ATOM 45 HB2 ASN A 3 4.054 5.854 0.723 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.316 4.597 1.715 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.447 4.826 -0.720 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.057 3.427 -1.614 1.00 0.00 H ATOM 49 N THR A 4 1.584 7.469 2.011 1.00 0.00 N ATOM 50 CA THR A 4 1.079 8.102 3.224 1.00 0.00 C ATOM 51 C THR A 4 -0.433 8.328 3.169 1.00 0.00 C ATOM 52 O THR A 4 -1.128 8.127 4.165 1.00 0.00 O ATOM 53 CB THR A 4 1.784 9.446 3.434 1.00 0.00 C ATOM 54 OG1 THR A 4 3.172 9.224 3.642 1.00 0.00 O ATOM 55 CG2 THR A 4 1.191 10.151 4.657 1.00 0.00 C ATOM 56 H THR A 4 2.124 7.993 1.384 1.00 0.00 H ATOM 57 HA THR A 4 1.303 7.464 4.065 1.00 0.00 H ATOM 58 HB THR A 4 1.644 10.067 2.563 1.00 0.00 H ATOM 59 HG1 THR A 4 3.551 8.923 2.813 1.00 0.00 H ATOM 60 HG21 THR A 4 0.126 10.322 4.498 1.00 0.00 H ATOM 61 HG22 THR A 4 1.693 11.107 4.805 1.00 0.00 H ATOM 62 HG23 THR A 4 1.331 9.527 5.540 1.00 0.00 H ATOM 63 N ALA A 5 -0.939 8.787 2.023 1.00 0.00 N ATOM 64 CA ALA A 5 -2.370 9.077 1.909 1.00 0.00 C ATOM 65 C ALA A 5 -3.167 7.966 1.217 1.00 0.00 C ATOM 66 O ALA A 5 -3.971 7.288 1.858 1.00 0.00 O ATOM 67 CB ALA A 5 -2.562 10.383 1.137 1.00 0.00 C ATOM 68 H ALA A 5 -0.344 8.963 1.264 1.00 0.00 H ATOM 69 HA ALA A 5 -2.769 9.213 2.901 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.626 10.601 1.051 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.130 10.284 0.141 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.067 11.196 1.668 1.00 0.00 H ATOM 73 N THR A 6 -2.985 7.811 -0.095 1.00 0.00 N ATOM 74 CA THR A 6 -3.749 6.807 -0.837 1.00 0.00 C ATOM 75 C THR A 6 -2.980 5.505 -1.038 1.00 0.00 C ATOM 76 O THR A 6 -3.428 4.441 -0.608 1.00 0.00 O ATOM 77 CB THR A 6 -4.144 7.368 -2.206 1.00 0.00 C ATOM 78 OG1 THR A 6 -5.027 8.466 -2.028 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.837 6.278 -3.025 1.00 0.00 C ATOM 80 H THR A 6 -2.359 8.396 -0.571 1.00 0.00 H ATOM 81 HA THR A 6 -4.652 6.589 -0.289 1.00 0.00 H ATOM 82 HB THR A 6 -3.259 7.697 -2.728 1.00 0.00 H ATOM 83 HG1 THR A 6 -5.028 8.699 -1.096 1.00 0.00 H ATOM 84 HG21 THR A 6 -4.157 5.437 -3.160 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.118 6.678 -3.999 1.00 0.00 H ATOM 86 HG23 THR A 6 -5.731 5.941 -2.500 1.00 0.00 H ATOM 87 N CYS A 7 -1.838 5.582 -1.712 1.00 0.00 N ATOM 88 CA CYS A 7 -1.052 4.384 -1.976 1.00 0.00 C ATOM 89 C CYS A 7 -0.862 3.568 -0.699 1.00 0.00 C ATOM 90 O CYS A 7 -0.365 2.442 -0.736 1.00 0.00 O ATOM 91 CB CYS A 7 0.305 4.752 -2.578 1.00 0.00 C ATOM 92 SG CYS A 7 0.059 5.468 -4.221 1.00 0.00 S ATOM 93 H CYS A 7 -1.533 6.448 -2.051 1.00 0.00 H ATOM 94 HA CYS A 7 -1.590 3.784 -2.689 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.799 5.468 -1.947 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.915 3.863 -2.661 1.00 0.00 H ATOM 97 N ALA A 8 -1.263 4.147 0.426 1.00 0.00 N ATOM 98 CA ALA A 8 -1.138 3.473 1.715 1.00 0.00 C ATOM 99 C ALA A 8 -1.809 2.100 1.694 1.00 0.00 C ATOM 100 O ALA A 8 -1.445 1.217 2.470 1.00 0.00 O ATOM 101 CB ALA A 8 -1.772 4.331 2.812 1.00 0.00 C ATOM 102 H ALA A 8 -1.653 5.046 0.391 1.00 0.00 H ATOM 103 HA ALA A 8 -0.089 3.346 1.941 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.676 3.824 3.772 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.827 4.487 2.588 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.265 5.295 2.859 1.00 0.00 H ATOM 107 N THR A 9 -2.781 1.924 0.801 1.00 0.00 N ATOM 108 CA THR A 9 -3.486 0.652 0.688 1.00 0.00 C ATOM 109 C THR A 9 -2.794 -0.215 -0.345 1.00 0.00 C ATOM 110 O THR A 9 -2.940 -1.436 -0.376 1.00 0.00 O ATOM 111 CB THR A 9 -4.941 0.887 0.280 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.483 1.950 1.052 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.751 -0.388 0.524 1.00 0.00 C ATOM 114 H THR A 9 -3.016 2.652 0.193 1.00 0.00 H ATOM 115 HA THR A 9 -3.464 0.156 1.637 1.00 0.00 H ATOM 116 HB THR A 9 -4.987 1.143 -0.767 1.00 0.00 H ATOM 117 HG1 THR A 9 -5.156 1.860 1.951 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.335 -1.203 -0.069 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.788 -0.221 0.233 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.708 -0.650 1.581 1.00 0.00 H ATOM 121 N GLN A 10 -2.049 0.463 -1.192 1.00 0.00 N ATOM 122 CA GLN A 10 -1.309 -0.164 -2.266 1.00 0.00 C ATOM 123 C GLN A 10 -0.145 -0.958 -1.707 1.00 0.00 C ATOM 124 O GLN A 10 -0.002 -2.150 -1.975 1.00 0.00 O ATOM 125 CB GLN A 10 -0.804 0.930 -3.196 1.00 0.00 C ATOM 126 CG GLN A 10 -0.628 0.390 -4.609 1.00 0.00 C ATOM 127 CD GLN A 10 0.680 -0.383 -4.718 1.00 0.00 C ATOM 128 OE1 GLN A 10 1.640 -0.087 -4.006 1.00 0.00 O ATOM 129 NE2 GLN A 10 0.776 -1.361 -5.575 1.00 0.00 N ATOM 130 H GLN A 10 -1.988 1.426 -1.084 1.00 0.00 H ATOM 131 HA GLN A 10 -1.963 -0.824 -2.814 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.524 1.730 -3.215 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.138 1.306 -2.831 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.454 -0.260 -4.851 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.615 1.220 -5.294 1.00 0.00 H ATOM 136 HE21 GLN A 10 0.006 -1.594 -6.143 1.00 0.00 H ATOM 137 HE22 GLN A 10 1.617 -1.865 -5.651 1.00 0.00 H ATOM 138 N ARG A 11 0.667 -0.289 -0.898 1.00 0.00 N ATOM 139 CA ARG A 11 1.801 -0.948 -0.274 1.00 0.00 C ATOM 140 C ARG A 11 1.258 -1.992 0.672 1.00 0.00 C ATOM 141 O ARG A 11 1.796 -3.092 0.800 1.00 0.00 O ATOM 142 CB ARG A 11 2.652 0.066 0.497 1.00 0.00 C ATOM 143 CG ARG A 11 4.111 -0.047 0.053 1.00 0.00 C ATOM 144 CD ARG A 11 4.918 1.099 0.662 1.00 0.00 C ATOM 145 NE ARG A 11 5.871 1.621 -0.312 1.00 0.00 N ATOM 146 CZ ARG A 11 7.097 1.990 0.048 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.473 1.890 1.295 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.925 2.454 -0.847 1.00 0.00 N ATOM 149 H ARG A 11 0.482 0.654 -0.699 1.00 0.00 H ATOM 150 HA ARG A 11 2.403 -1.424 -1.032 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.290 1.064 0.297 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.584 -0.136 1.555 1.00 0.00 H ATOM 153 HG2 ARG A 11 4.516 -0.991 0.386 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.165 0.010 -1.023 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.246 1.890 0.961 1.00 0.00 H ATOM 156 HD3 ARG A 11 5.448 0.737 1.530 1.00 0.00 H ATOM 157 HE ARG A 11 5.601 1.702 -1.251 1.00 0.00 H ATOM 158 HH11 ARG A 11 6.841 1.535 1.981 1.00 0.00 H ATOM 159 HH12 ARG A 11 8.396 2.168 1.561 1.00 0.00 H ATOM 160 HH21 ARG A 11 7.638 2.533 -1.800 1.00 0.00 H ATOM 161 HH22 ARG A 11 8.847 2.733 -0.577 1.00 0.00 H ATOM 162 N LEU A 12 0.157 -1.636 1.314 1.00 0.00 N ATOM 163 CA LEU A 12 -0.502 -2.536 2.231 1.00 0.00 C ATOM 164 C LEU A 12 -1.134 -3.682 1.446 1.00 0.00 C ATOM 165 O LEU A 12 -1.080 -4.840 1.853 1.00 0.00 O ATOM 166 CB LEU A 12 -1.555 -1.769 3.033 1.00 0.00 C ATOM 167 CG LEU A 12 -2.752 -2.665 3.348 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.287 -3.854 4.183 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.786 -1.861 4.140 1.00 0.00 C ATOM 170 H LEU A 12 -0.229 -0.751 1.149 1.00 0.00 H ATOM 171 HA LEU A 12 0.229 -2.927 2.901 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.116 -1.425 3.957 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.882 -0.923 2.463 1.00 0.00 H ATOM 174 HG LEU A 12 -3.198 -3.017 2.431 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.139 -4.495 4.409 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.846 -3.495 5.113 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.544 -4.422 3.624 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.338 -1.508 5.069 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.643 -2.495 4.368 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.114 -1.007 3.548 1.00 0.00 H ATOM 181 N ALA A 13 -1.701 -3.336 0.295 1.00 0.00 N ATOM 182 CA ALA A 13 -2.317 -4.300 -0.584 1.00 0.00 C ATOM 183 C ALA A 13 -1.237 -5.097 -1.247 1.00 0.00 C ATOM 184 O ALA A 13 -1.390 -6.272 -1.572 1.00 0.00 O ATOM 185 CB ALA A 13 -3.176 -3.597 -1.635 1.00 0.00 C ATOM 186 H ALA A 13 -1.674 -2.415 0.017 1.00 0.00 H ATOM 187 HA ALA A 13 -2.921 -4.949 -0.011 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.632 -4.340 -2.289 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.552 -2.928 -2.227 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.958 -3.021 -1.140 1.00 0.00 H ATOM 191 N ASN A 14 -0.143 -4.412 -1.446 1.00 0.00 N ATOM 192 CA ASN A 14 1.012 -4.998 -2.082 1.00 0.00 C ATOM 193 C ASN A 14 1.486 -6.206 -1.288 1.00 0.00 C ATOM 194 O ASN A 14 2.028 -7.162 -1.845 1.00 0.00 O ATOM 195 CB ASN A 14 2.144 -3.974 -2.198 1.00 0.00 C ATOM 196 CG ASN A 14 3.341 -4.595 -2.912 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.631 -4.248 -4.057 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.056 -5.501 -2.301 1.00 0.00 N ATOM 199 H ASN A 14 -0.123 -3.486 -1.148 1.00 0.00 H ATOM 200 HA ASN A 14 0.720 -5.307 -3.062 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.799 -3.119 -2.760 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.445 -3.658 -1.211 1.00 0.00 H ATOM 203 HD21 ASN A 14 3.822 -5.777 -1.386 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.828 -5.904 -2.757 1.00 0.00 H ATOM 205 N PHE A 15 1.260 -6.160 0.021 1.00 0.00 N ATOM 206 CA PHE A 15 1.641 -7.255 0.896 1.00 0.00 C ATOM 207 C PHE A 15 0.433 -8.156 1.093 1.00 0.00 C ATOM 208 O PHE A 15 0.508 -9.226 1.694 1.00 0.00 O ATOM 209 CB PHE A 15 2.134 -6.687 2.239 1.00 0.00 C ATOM 210 CG PHE A 15 1.182 -7.055 3.359 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.158 -8.363 3.856 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.318 -6.089 3.893 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.273 -8.705 4.883 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.568 -6.436 4.922 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.591 -7.743 5.415 1.00 0.00 C ATOM 216 H PHE A 15 0.800 -5.380 0.404 1.00 0.00 H ATOM 217 HA PHE A 15 2.435 -7.820 0.434 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.112 -7.084 2.455 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.194 -5.609 2.161 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.825 -9.108 3.450 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.336 -5.079 3.513 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.251 -9.714 5.261 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.234 -5.695 5.334 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.274 -8.009 6.207 1.00 0.00 H ATOM 225 N LEU A 16 -0.687 -7.676 0.585 1.00 0.00 N ATOM 226 CA LEU A 16 -1.948 -8.364 0.695 1.00 0.00 C ATOM 227 C LEU A 16 -2.294 -9.043 -0.619 1.00 0.00 C ATOM 228 O LEU A 16 -3.016 -10.039 -0.651 1.00 0.00 O ATOM 229 CB LEU A 16 -3.000 -7.313 1.027 1.00 0.00 C ATOM 230 CG LEU A 16 -3.991 -7.837 2.051 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.375 -7.698 3.442 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.266 -6.994 1.971 1.00 0.00 C ATOM 233 H LEU A 16 -0.668 -6.813 0.125 1.00 0.00 H ATOM 234 HA LEU A 16 -1.905 -9.091 1.487 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.505 -6.450 1.438 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.519 -7.033 0.128 1.00 0.00 H ATOM 237 HG LEU A 16 -4.220 -8.873 1.849 1.00 0.00 H ATOM 238 HD11 LEU A 16 -4.076 -8.071 4.189 1.00 0.00 H ATOM 239 HD12 LEU A 16 -3.157 -6.648 3.640 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.452 -8.276 3.490 1.00 0.00 H ATOM 241 HD21 LEU A 16 -5.027 -5.952 2.185 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.989 -7.358 2.701 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.691 -7.071 0.970 1.00 0.00 H ATOM 244 N VAL A 17 -1.776 -8.484 -1.702 1.00 0.00 N ATOM 245 CA VAL A 17 -2.037 -9.023 -3.024 1.00 0.00 C ATOM 246 C VAL A 17 -1.457 -10.426 -3.161 1.00 0.00 C ATOM 247 O VAL A 17 -2.129 -11.343 -3.635 1.00 0.00 O ATOM 248 CB VAL A 17 -1.434 -8.112 -4.091 1.00 0.00 C ATOM 249 CG1 VAL A 17 0.083 -8.053 -3.912 1.00 0.00 C ATOM 250 CG2 VAL A 17 -1.760 -8.668 -5.478 1.00 0.00 C ATOM 251 H VAL A 17 -1.214 -7.685 -1.611 1.00 0.00 H ATOM 252 HA VAL A 17 -3.101 -9.065 -3.165 1.00 0.00 H ATOM 253 HB VAL A 17 -1.845 -7.118 -3.994 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.514 -7.403 -4.673 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.500 -9.055 -4.012 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.318 -7.659 -2.923 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.341 -9.670 -5.576 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.330 -8.019 -6.241 1.00 0.00 H ATOM 259 HG23 VAL A 17 -2.841 -8.713 -5.607 1.00 0.00 H ATOM 260 N HIS A 18 -0.204 -10.587 -2.749 1.00 0.00 N ATOM 261 CA HIS A 18 0.460 -11.881 -2.833 1.00 0.00 C ATOM 262 C HIS A 18 -0.113 -12.850 -1.804 1.00 0.00 C ATOM 263 O HIS A 18 -0.554 -13.947 -2.147 1.00 0.00 O ATOM 264 CB HIS A 18 1.963 -11.717 -2.599 1.00 0.00 C ATOM 265 CG HIS A 18 2.581 -11.002 -3.771 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.803 -11.629 -4.987 1.00 0.00 N ATOM 267 CD2 HIS A 18 3.036 -9.715 -3.923 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.369 -10.727 -5.810 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.533 -9.545 -5.213 1.00 0.00 N ATOM 270 H HIS A 18 0.283 -9.819 -2.382 1.00 0.00 H ATOM 271 HA HIS A 18 0.305 -12.291 -3.822 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.124 -11.142 -1.699 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.418 -12.690 -2.491 1.00 0.00 H ATOM 274 HD2 HIS A 18 3.012 -8.952 -3.159 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.656 -10.934 -6.831 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.921 -8.732 -5.598 1.00 0.00 H ATOM 277 N SER A 19 -0.100 -12.439 -0.540 1.00 0.00 N ATOM 278 CA SER A 19 -0.621 -13.281 0.530 1.00 0.00 C ATOM 279 C SER A 19 -1.486 -12.464 1.484 1.00 0.00 C ATOM 280 O SER A 19 -2.352 -11.706 1.049 1.00 0.00 O ATOM 281 CB SER A 19 0.537 -13.918 1.300 1.00 0.00 C ATOM 282 OG SER A 19 1.258 -12.905 1.989 1.00 0.00 O ATOM 283 H SER A 19 0.265 -11.556 -0.323 1.00 0.00 H ATOM 284 HA SER A 19 -1.223 -14.066 0.096 1.00 0.00 H ATOM 285 HB2 SER A 19 0.152 -14.627 2.014 1.00 0.00 H ATOM 286 HB3 SER A 19 1.190 -14.430 0.605 1.00 0.00 H ATOM 287 HG SER A 19 1.318 -13.159 2.913 1.00 0.00 H HETATM 288 N NH2 A 20 -1.304 -12.576 2.772 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -1.857 -12.055 3.392 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -0.614 -13.178 3.118 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 17 ATOM 1 N LYS A 1 3.811 12.300 -0.656 1.00 0.00 N ATOM 2 CA LYS A 1 3.773 11.110 0.240 1.00 0.00 C ATOM 3 C LYS A 1 2.468 10.353 0.014 1.00 0.00 C ATOM 4 O LYS A 1 1.670 10.181 0.933 1.00 0.00 O ATOM 5 CB LYS A 1 3.875 11.568 1.698 1.00 0.00 C ATOM 6 CG LYS A 1 4.830 10.643 2.457 1.00 0.00 C ATOM 7 CD LYS A 1 4.984 11.137 3.898 1.00 0.00 C ATOM 8 CE LYS A 1 5.862 10.160 4.681 1.00 0.00 C ATOM 9 NZ LYS A 1 6.070 10.678 6.062 1.00 0.00 N ATOM 10 H1 LYS A 1 3.756 13.167 -0.085 1.00 0.00 H ATOM 11 H2 LYS A 1 3.005 12.264 -1.313 1.00 0.00 H ATOM 12 H3 LYS A 1 4.701 12.301 -1.195 1.00 0.00 H ATOM 13 HA LYS A 1 4.607 10.463 0.009 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.250 12.580 1.731 1.00 0.00 H ATOM 15 HB3 LYS A 1 2.899 11.530 2.157 1.00 0.00 H ATOM 16 HG2 LYS A 1 4.431 9.638 2.461 1.00 0.00 H ATOM 17 HG3 LYS A 1 5.794 10.646 1.972 1.00 0.00 H ATOM 18 HD2 LYS A 1 5.446 12.114 3.894 1.00 0.00 H ATOM 19 HD3 LYS A 1 4.013 11.197 4.365 1.00 0.00 H ATOM 20 HE2 LYS A 1 5.377 9.196 4.727 1.00 0.00 H ATOM 21 HE3 LYS A 1 6.817 10.060 4.187 1.00 0.00 H ATOM 22 HZ1 LYS A 1 6.326 11.685 6.021 1.00 0.00 H ATOM 23 HZ2 LYS A 1 6.838 10.144 6.521 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.194 10.568 6.611 1.00 0.00 H ATOM 25 N CYS A 2 2.260 9.907 -1.219 1.00 0.00 N ATOM 26 CA CYS A 2 1.049 9.172 -1.566 1.00 0.00 C ATOM 27 C CYS A 2 0.833 7.996 -0.615 1.00 0.00 C ATOM 28 O CYS A 2 -0.242 7.846 -0.034 1.00 0.00 O ATOM 29 CB CYS A 2 1.160 8.660 -3.004 1.00 0.00 C ATOM 30 SG CYS A 2 -0.464 8.116 -3.589 1.00 0.00 S ATOM 31 H CYS A 2 2.934 10.077 -1.909 1.00 0.00 H ATOM 32 HA CYS A 2 0.204 9.839 -1.499 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.523 9.451 -3.641 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.850 7.828 -3.037 1.00 0.00 H ATOM 35 N ASN A 3 1.858 7.163 -0.468 1.00 0.00 N ATOM 36 CA ASN A 3 1.775 5.995 0.408 1.00 0.00 C ATOM 37 C ASN A 3 1.159 6.365 1.751 1.00 0.00 C ATOM 38 O ASN A 3 0.541 5.530 2.411 1.00 0.00 O ATOM 39 CB ASN A 3 3.172 5.419 0.631 1.00 0.00 C ATOM 40 CG ASN A 3 4.148 6.543 0.966 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.747 7.136 0.067 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.343 6.874 2.213 1.00 0.00 N ATOM 43 H ASN A 3 2.688 7.332 -0.963 1.00 0.00 H ATOM 44 HA ASN A 3 1.160 5.242 -0.058 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.142 4.712 1.447 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.500 4.917 -0.268 1.00 0.00 H ATOM 47 HD21 ASN A 3 3.861 6.400 2.928 1.00 0.00 H ATOM 48 HD22 ASN A 3 4.970 7.599 2.435 1.00 0.00 H ATOM 49 N THR A 4 1.345 7.613 2.156 1.00 0.00 N ATOM 50 CA THR A 4 0.818 8.072 3.433 1.00 0.00 C ATOM 51 C THR A 4 -0.705 8.211 3.407 1.00 0.00 C ATOM 52 O THR A 4 -1.377 7.877 4.384 1.00 0.00 O ATOM 53 CB THR A 4 1.460 9.416 3.807 1.00 0.00 C ATOM 54 OG1 THR A 4 1.769 9.415 5.194 1.00 0.00 O ATOM 55 CG2 THR A 4 0.499 10.569 3.503 1.00 0.00 C ATOM 56 H THR A 4 1.856 8.232 1.594 1.00 0.00 H ATOM 57 HA THR A 4 1.081 7.349 4.190 1.00 0.00 H ATOM 58 HB THR A 4 2.367 9.551 3.238 1.00 0.00 H ATOM 59 HG1 THR A 4 2.712 9.257 5.289 1.00 0.00 H ATOM 60 HG21 THR A 4 0.261 10.573 2.439 1.00 0.00 H ATOM 61 HG22 THR A 4 0.968 11.515 3.773 1.00 0.00 H ATOM 62 HG23 THR A 4 -0.417 10.441 4.080 1.00 0.00 H ATOM 63 N ALA A 5 -1.249 8.742 2.312 1.00 0.00 N ATOM 64 CA ALA A 5 -2.695 8.947 2.233 1.00 0.00 C ATOM 65 C ALA A 5 -3.421 7.855 1.443 1.00 0.00 C ATOM 66 O ALA A 5 -4.163 7.061 2.021 1.00 0.00 O ATOM 67 CB ALA A 5 -2.982 10.305 1.589 1.00 0.00 C ATOM 68 H ALA A 5 -0.675 9.020 1.569 1.00 0.00 H ATOM 69 HA ALA A 5 -3.092 8.963 3.236 1.00 0.00 H ATOM 70 HB1 ALA A 5 -4.059 10.459 1.530 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.556 10.329 0.586 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.535 11.095 2.192 1.00 0.00 H ATOM 73 N THR A 6 -3.242 7.836 0.123 1.00 0.00 N ATOM 74 CA THR A 6 -3.937 6.852 -0.709 1.00 0.00 C ATOM 75 C THR A 6 -3.071 5.638 -1.037 1.00 0.00 C ATOM 76 O THR A 6 -3.426 4.507 -0.708 1.00 0.00 O ATOM 77 CB THR A 6 -4.391 7.509 -2.014 1.00 0.00 C ATOM 78 OG1 THR A 6 -5.228 8.618 -1.718 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.161 6.493 -2.856 1.00 0.00 C ATOM 80 H THR A 6 -2.665 8.508 -0.298 1.00 0.00 H ATOM 81 HA THR A 6 -4.815 6.513 -0.179 1.00 0.00 H ATOM 82 HB THR A 6 -3.527 7.848 -2.565 1.00 0.00 H ATOM 83 HG1 THR A 6 -6.021 8.286 -1.292 1.00 0.00 H ATOM 84 HG21 THR A 6 -4.515 5.644 -3.083 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.484 6.961 -3.786 1.00 0.00 H ATOM 86 HG23 THR A 6 -6.033 6.147 -2.301 1.00 0.00 H ATOM 87 N CYS A 7 -1.950 5.871 -1.710 1.00 0.00 N ATOM 88 CA CYS A 7 -1.069 4.776 -2.098 1.00 0.00 C ATOM 89 C CYS A 7 -0.773 3.864 -0.908 1.00 0.00 C ATOM 90 O CYS A 7 -0.194 2.789 -1.065 1.00 0.00 O ATOM 91 CB CYS A 7 0.229 5.326 -2.691 1.00 0.00 C ATOM 92 SG CYS A 7 -0.146 6.222 -4.215 1.00 0.00 S ATOM 93 H CYS A 7 -1.722 6.790 -1.966 1.00 0.00 H ATOM 94 HA CYS A 7 -1.569 4.195 -2.856 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.690 5.999 -1.990 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.905 4.512 -2.908 1.00 0.00 H ATOM 97 N ALA A 8 -1.186 4.299 0.277 1.00 0.00 N ATOM 98 CA ALA A 8 -0.979 3.516 1.493 1.00 0.00 C ATOM 99 C ALA A 8 -1.599 2.127 1.359 1.00 0.00 C ATOM 100 O ALA A 8 -1.210 1.200 2.065 1.00 0.00 O ATOM 101 CB ALA A 8 -1.605 4.237 2.691 1.00 0.00 C ATOM 102 H ALA A 8 -1.649 5.159 0.335 1.00 0.00 H ATOM 103 HA ALA A 8 0.081 3.413 1.667 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.447 3.647 3.594 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.675 4.362 2.522 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.140 5.215 2.811 1.00 0.00 H ATOM 107 N THR A 9 -2.563 2.002 0.452 1.00 0.00 N ATOM 108 CA THR A 9 -3.250 0.737 0.209 1.00 0.00 C ATOM 109 C THR A 9 -2.509 -0.034 -0.864 1.00 0.00 C ATOM 110 O THR A 9 -2.688 -1.237 -1.048 1.00 0.00 O ATOM 111 CB THR A 9 -4.691 1.002 -0.241 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.874 2.397 -0.448 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.663 0.514 0.835 1.00 0.00 C ATOM 114 H THR A 9 -2.808 2.778 -0.087 1.00 0.00 H ATOM 115 HA THR A 9 -3.266 0.165 1.115 1.00 0.00 H ATOM 116 HB THR A 9 -4.886 0.473 -1.160 1.00 0.00 H ATOM 117 HG1 THR A 9 -5.034 2.540 -1.383 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.524 -0.556 0.993 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.687 0.703 0.513 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.471 1.046 1.767 1.00 0.00 H ATOM 121 N GLN A 10 -1.693 0.712 -1.577 1.00 0.00 N ATOM 122 CA GLN A 10 -0.902 0.194 -2.675 1.00 0.00 C ATOM 123 C GLN A 10 0.189 -0.737 -2.174 1.00 0.00 C ATOM 124 O GLN A 10 0.310 -1.874 -2.628 1.00 0.00 O ATOM 125 CB GLN A 10 -0.274 1.377 -3.402 1.00 0.00 C ATOM 126 CG GLN A 10 0.072 0.997 -4.833 1.00 0.00 C ATOM 127 CD GLN A 10 1.437 0.319 -4.879 1.00 0.00 C ATOM 128 OE1 GLN A 10 2.064 0.115 -3.840 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.937 -0.043 -6.030 1.00 0.00 N ATOM 130 H GLN A 10 -1.623 1.657 -1.355 1.00 0.00 H ATOM 131 HA GLN A 10 -1.544 -0.340 -3.356 1.00 0.00 H ATOM 132 HB2 GLN A 10 -0.978 2.196 -3.412 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.621 1.682 -2.882 1.00 0.00 H ATOM 134 HG2 GLN A 10 -0.681 0.325 -5.217 1.00 0.00 H ATOM 135 HG3 GLN A 10 0.092 1.891 -5.432 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.434 0.122 -6.858 1.00 0.00 H ATOM 137 HE22 GLN A 10 2.819 -0.481 -6.064 1.00 0.00 H ATOM 138 N ARG A 11 0.976 -0.246 -1.228 1.00 0.00 N ATOM 139 CA ARG A 11 2.048 -1.046 -0.665 1.00 0.00 C ATOM 140 C ARG A 11 1.455 -2.041 0.313 1.00 0.00 C ATOM 141 O ARG A 11 1.985 -3.132 0.519 1.00 0.00 O ATOM 142 CB ARG A 11 3.056 -0.149 0.056 1.00 0.00 C ATOM 143 CG ARG A 11 3.471 1.001 -0.865 1.00 0.00 C ATOM 144 CD ARG A 11 4.862 1.495 -0.467 1.00 0.00 C ATOM 145 NE ARG A 11 5.175 2.742 -1.155 1.00 0.00 N ATOM 146 CZ ARG A 11 5.878 2.748 -2.284 1.00 0.00 C ATOM 147 NH1 ARG A 11 6.294 1.625 -2.801 1.00 0.00 N ATOM 148 NH2 ARG A 11 6.153 3.878 -2.876 1.00 0.00 N ATOM 149 H ARG A 11 0.824 0.664 -0.897 1.00 0.00 H ATOM 150 HA ARG A 11 2.550 -1.582 -1.457 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.604 0.253 0.953 1.00 0.00 H ATOM 152 HB3 ARG A 11 3.929 -0.727 0.322 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.489 0.652 -1.888 1.00 0.00 H ATOM 154 HG3 ARG A 11 2.762 1.810 -0.772 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.889 1.662 0.600 1.00 0.00 H ATOM 156 HD3 ARG A 11 5.596 0.746 -0.728 1.00 0.00 H ATOM 157 HE ARG A 11 4.865 3.591 -0.778 1.00 0.00 H ATOM 158 HH11 ARG A 11 6.083 0.758 -2.350 1.00 0.00 H ATOM 159 HH12 ARG A 11 6.824 1.631 -3.650 1.00 0.00 H ATOM 160 HH21 ARG A 11 5.835 4.739 -2.481 1.00 0.00 H ATOM 161 HH22 ARG A 11 6.680 3.881 -3.725 1.00 0.00 H ATOM 162 N LEU A 12 0.336 -1.645 0.909 1.00 0.00 N ATOM 163 CA LEU A 12 -0.349 -2.495 1.864 1.00 0.00 C ATOM 164 C LEU A 12 -0.967 -3.701 1.162 1.00 0.00 C ATOM 165 O LEU A 12 -0.936 -4.820 1.671 1.00 0.00 O ATOM 166 CB LEU A 12 -1.424 -1.684 2.588 1.00 0.00 C ATOM 167 CG LEU A 12 -2.647 -2.552 2.897 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.226 -3.725 3.777 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.692 -1.710 3.633 1.00 0.00 C ATOM 170 H LEU A 12 -0.039 -0.763 0.694 1.00 0.00 H ATOM 171 HA LEU A 12 0.366 -2.833 2.582 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.019 -1.297 3.511 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.718 -0.870 1.963 1.00 0.00 H ATOM 174 HG LEU A 12 -3.072 -2.925 1.977 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.095 -4.344 3.998 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.803 -3.348 4.708 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.479 -4.322 3.254 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.267 -1.335 4.564 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.564 -2.325 3.855 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.990 -0.870 3.005 1.00 0.00 H ATOM 181 N ALA A 13 -1.520 -3.462 -0.017 1.00 0.00 N ATOM 182 CA ALA A 13 -2.132 -4.514 -0.792 1.00 0.00 C ATOM 183 C ALA A 13 -1.053 -5.356 -1.394 1.00 0.00 C ATOM 184 O ALA A 13 -1.193 -6.555 -1.598 1.00 0.00 O ATOM 185 CB ALA A 13 -3.025 -3.931 -1.888 1.00 0.00 C ATOM 186 H ALA A 13 -1.497 -2.566 -0.386 1.00 0.00 H ATOM 187 HA ALA A 13 -2.710 -5.118 -0.146 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.476 -4.742 -2.460 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.426 -3.308 -2.552 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.810 -3.327 -1.434 1.00 0.00 H ATOM 191 N ASN A 14 0.022 -4.683 -1.684 1.00 0.00 N ATOM 192 CA ASN A 14 1.165 -5.317 -2.290 1.00 0.00 C ATOM 193 C ASN A 14 1.693 -6.439 -1.404 1.00 0.00 C ATOM 194 O ASN A 14 2.322 -7.381 -1.886 1.00 0.00 O ATOM 195 CB ASN A 14 2.270 -4.291 -2.542 1.00 0.00 C ATOM 196 CG ASN A 14 3.471 -4.964 -3.195 1.00 0.00 C ATOM 197 OD1 ASN A 14 4.611 -4.728 -2.793 1.00 0.00 O ATOM 198 ND2 ASN A 14 3.285 -5.791 -4.188 1.00 0.00 N ATOM 199 H ASN A 14 0.035 -3.733 -1.484 1.00 0.00 H ATOM 200 HA ASN A 14 0.851 -5.722 -3.229 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.894 -3.517 -3.192 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.572 -3.854 -1.602 1.00 0.00 H ATOM 203 HD21 ASN A 14 2.374 -5.976 -4.508 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.057 -6.227 -4.614 1.00 0.00 H ATOM 205 N PHE A 15 1.423 -6.335 -0.108 1.00 0.00 N ATOM 206 CA PHE A 15 1.865 -7.344 0.839 1.00 0.00 C ATOM 207 C PHE A 15 0.742 -8.332 1.074 1.00 0.00 C ATOM 208 O PHE A 15 0.947 -9.473 1.486 1.00 0.00 O ATOM 209 CB PHE A 15 2.244 -6.659 2.165 1.00 0.00 C ATOM 210 CG PHE A 15 1.218 -6.974 3.246 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.114 -8.275 3.760 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.366 -5.968 3.726 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.166 -8.565 4.748 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.580 -6.266 4.719 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.678 -7.562 5.227 1.00 0.00 C ATOM 216 H PHE A 15 0.898 -5.570 0.223 1.00 0.00 H ATOM 217 HA PHE A 15 2.724 -7.856 0.444 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.215 -7.006 2.482 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.280 -5.589 2.011 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.763 -9.051 3.399 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.438 -4.967 3.334 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.087 -9.565 5.140 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.235 -5.494 5.092 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.409 -7.788 5.990 1.00 0.00 H ATOM 225 N LEU A 16 -0.453 -7.832 0.861 1.00 0.00 N ATOM 226 CA LEU A 16 -1.655 -8.576 1.101 1.00 0.00 C ATOM 227 C LEU A 16 -2.274 -9.091 -0.189 1.00 0.00 C ATOM 228 O LEU A 16 -3.244 -9.848 -0.165 1.00 0.00 O ATOM 229 CB LEU A 16 -2.584 -7.610 1.813 1.00 0.00 C ATOM 230 CG LEU A 16 -4.038 -7.993 1.608 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.862 -7.309 2.693 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.492 -7.509 0.226 1.00 0.00 C ATOM 233 H LEU A 16 -0.532 -6.904 0.565 1.00 0.00 H ATOM 234 HA LEU A 16 -1.443 -9.405 1.757 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.351 -7.609 2.859 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.423 -6.618 1.422 1.00 0.00 H ATOM 237 HG LEU A 16 -4.151 -9.066 1.681 1.00 0.00 H ATOM 238 HD11 LEU A 16 -5.913 -7.568 2.569 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.743 -6.228 2.614 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.520 -7.641 3.673 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.386 -6.426 0.167 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.536 -7.780 0.070 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.877 -7.976 -0.543 1.00 0.00 H ATOM 244 N VAL A 17 -1.715 -8.676 -1.313 1.00 0.00 N ATOM 245 CA VAL A 17 -2.236 -9.108 -2.595 1.00 0.00 C ATOM 246 C VAL A 17 -1.879 -10.568 -2.843 1.00 0.00 C ATOM 247 O VAL A 17 -2.694 -11.343 -3.344 1.00 0.00 O ATOM 248 CB VAL A 17 -1.674 -8.243 -3.725 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.152 -8.396 -3.779 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.281 -8.693 -5.055 1.00 0.00 C ATOM 251 H VAL A 17 -0.945 -8.071 -1.280 1.00 0.00 H ATOM 252 HA VAL A 17 -3.306 -9.003 -2.576 1.00 0.00 H ATOM 253 HB VAL A 17 -1.926 -7.209 -3.546 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.247 -7.779 -4.584 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.102 -9.440 -3.961 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.280 -8.078 -2.830 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.028 -9.738 -5.235 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.883 -8.079 -5.863 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.365 -8.583 -5.016 1.00 0.00 H ATOM 260 N HIS A 18 -0.653 -10.931 -2.486 1.00 0.00 N ATOM 261 CA HIS A 18 -0.189 -12.300 -2.670 1.00 0.00 C ATOM 262 C HIS A 18 -0.547 -13.156 -1.458 1.00 0.00 C ATOM 263 O HIS A 18 -0.950 -14.310 -1.601 1.00 0.00 O ATOM 264 CB HIS A 18 1.325 -12.319 -2.893 1.00 0.00 C ATOM 265 CG HIS A 18 2.013 -11.543 -1.805 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.334 -12.115 -0.584 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.468 -10.247 -1.743 1.00 0.00 C ATOM 268 CE1 HIS A 18 2.955 -11.176 0.154 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.064 -10.020 -0.507 1.00 0.00 N ATOM 270 H HIS A 18 -0.052 -10.267 -2.087 1.00 0.00 H ATOM 271 HA HIS A 18 -0.672 -12.716 -3.542 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.676 -13.339 -2.882 1.00 0.00 H ATOM 273 HB3 HIS A 18 1.551 -11.872 -3.850 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.370 -9.512 -2.532 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.319 -11.338 1.157 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.485 -9.194 -0.193 1.00 0.00 H ATOM 277 N SER A 19 -0.398 -12.583 -0.268 1.00 0.00 N ATOM 278 CA SER A 19 -0.710 -13.305 0.961 1.00 0.00 C ATOM 279 C SER A 19 -2.054 -12.853 1.524 1.00 0.00 C ATOM 280 O SER A 19 -2.252 -11.670 1.798 1.00 0.00 O ATOM 281 CB SER A 19 0.385 -13.064 2.000 1.00 0.00 C ATOM 282 OG SER A 19 0.622 -14.268 2.719 1.00 0.00 O ATOM 283 H SER A 19 -0.074 -11.659 -0.215 1.00 0.00 H ATOM 284 HA SER A 19 -0.758 -14.361 0.744 1.00 0.00 H ATOM 285 HB2 SER A 19 1.293 -12.761 1.506 1.00 0.00 H ATOM 286 HB3 SER A 19 0.070 -12.282 2.679 1.00 0.00 H ATOM 287 HG SER A 19 1.280 -14.086 3.393 1.00 0.00 H HETATM 288 N NH2 A 20 -2.996 -13.734 1.716 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -3.862 -13.455 2.080 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.837 -14.677 1.497 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 18 ATOM 1 N LYS A 1 4.238 10.588 0.302 1.00 0.00 N ATOM 2 CA LYS A 1 2.993 11.341 -0.024 1.00 0.00 C ATOM 3 C LYS A 1 1.860 10.354 -0.281 1.00 0.00 C ATOM 4 O LYS A 1 1.034 10.100 0.595 1.00 0.00 O ATOM 5 CB LYS A 1 3.235 12.202 -1.265 1.00 0.00 C ATOM 6 CG LYS A 1 2.656 13.600 -1.039 1.00 0.00 C ATOM 7 CD LYS A 1 1.136 13.507 -0.888 1.00 0.00 C ATOM 8 CE LYS A 1 0.555 14.912 -0.714 1.00 0.00 C ATOM 9 NZ LYS A 1 0.456 15.577 -2.045 1.00 0.00 N ATOM 10 H1 LYS A 1 4.786 10.435 -0.569 1.00 0.00 H ATOM 11 H2 LYS A 1 3.988 9.670 0.722 1.00 0.00 H ATOM 12 H3 LYS A 1 4.810 11.136 0.976 1.00 0.00 H ATOM 13 HA LYS A 1 2.732 11.977 0.810 1.00 0.00 H ATOM 14 HB2 LYS A 1 4.297 12.277 -1.449 1.00 0.00 H ATOM 15 HB3 LYS A 1 2.753 11.750 -2.119 1.00 0.00 H ATOM 16 HG2 LYS A 1 3.082 14.026 -0.143 1.00 0.00 H ATOM 17 HG3 LYS A 1 2.893 14.229 -1.886 1.00 0.00 H ATOM 18 HD2 LYS A 1 0.715 13.047 -1.770 1.00 0.00 H ATOM 19 HD3 LYS A 1 0.898 12.910 -0.021 1.00 0.00 H ATOM 20 HE2 LYS A 1 -0.429 14.841 -0.274 1.00 0.00 H ATOM 21 HE3 LYS A 1 1.198 15.490 -0.069 1.00 0.00 H ATOM 22 HZ1 LYS A 1 1.274 16.207 -2.178 1.00 0.00 H ATOM 23 HZ2 LYS A 1 -0.422 16.132 -2.090 1.00 0.00 H ATOM 24 HZ3 LYS A 1 0.452 14.855 -2.794 1.00 0.00 H ATOM 25 N CYS A 2 1.829 9.798 -1.489 1.00 0.00 N ATOM 26 CA CYS A 2 0.794 8.838 -1.851 1.00 0.00 C ATOM 27 C CYS A 2 0.752 7.692 -0.843 1.00 0.00 C ATOM 28 O CYS A 2 -0.270 7.460 -0.195 1.00 0.00 O ATOM 29 CB CYS A 2 1.068 8.280 -3.250 1.00 0.00 C ATOM 30 SG CYS A 2 -0.465 7.629 -3.957 1.00 0.00 S ATOM 31 H CYS A 2 2.515 10.037 -2.145 1.00 0.00 H ATOM 32 HA CYS A 2 -0.163 9.337 -1.855 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.449 9.069 -3.882 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.798 7.488 -3.183 1.00 0.00 H ATOM 35 N ASN A 3 1.867 6.982 -0.715 1.00 0.00 N ATOM 36 CA ASN A 3 1.947 5.864 0.217 1.00 0.00 C ATOM 37 C ASN A 3 1.367 6.260 1.567 1.00 0.00 C ATOM 38 O ASN A 3 0.733 5.454 2.245 1.00 0.00 O ATOM 39 CB ASN A 3 3.406 5.435 0.393 1.00 0.00 C ATOM 40 CG ASN A 3 4.273 6.651 0.698 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.066 7.721 0.125 1.00 0.00 O ATOM 42 ND2 ASN A 3 5.238 6.550 1.570 1.00 0.00 N ATOM 43 H ASN A 3 2.650 7.214 -1.258 1.00 0.00 H ATOM 44 HA ASN A 3 1.383 5.032 -0.176 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.475 4.731 1.210 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.754 4.966 -0.515 1.00 0.00 H ATOM 47 HD21 ASN A 3 5.400 5.693 2.026 1.00 0.00 H ATOM 48 HD22 ASN A 3 5.801 7.331 1.771 1.00 0.00 H ATOM 49 N THR A 4 1.597 7.508 1.951 1.00 0.00 N ATOM 50 CA THR A 4 1.102 8.007 3.225 1.00 0.00 C ATOM 51 C THR A 4 -0.412 8.207 3.204 1.00 0.00 C ATOM 52 O THR A 4 -1.092 7.932 4.194 1.00 0.00 O ATOM 53 CB THR A 4 1.783 9.337 3.559 1.00 0.00 C ATOM 54 OG1 THR A 4 3.183 9.216 3.359 1.00 0.00 O ATOM 55 CG2 THR A 4 1.503 9.704 5.018 1.00 0.00 C ATOM 56 H THR A 4 2.114 8.102 1.370 1.00 0.00 H ATOM 57 HA THR A 4 1.347 7.294 3.997 1.00 0.00 H ATOM 58 HB THR A 4 1.393 10.111 2.918 1.00 0.00 H ATOM 59 HG1 THR A 4 3.609 9.973 3.769 1.00 0.00 H ATOM 60 HG21 THR A 4 0.428 9.800 5.169 1.00 0.00 H ATOM 61 HG22 THR A 4 1.988 10.651 5.255 1.00 0.00 H ATOM 62 HG23 THR A 4 1.893 8.923 5.671 1.00 0.00 H ATOM 63 N ALA A 5 -0.939 8.725 2.093 1.00 0.00 N ATOM 64 CA ALA A 5 -2.373 8.991 2.009 1.00 0.00 C ATOM 65 C ALA A 5 -3.155 7.913 1.251 1.00 0.00 C ATOM 66 O ALA A 5 -3.943 7.182 1.851 1.00 0.00 O ATOM 67 CB ALA A 5 -2.600 10.342 1.329 1.00 0.00 C ATOM 68 H ALA A 5 -0.355 8.956 1.340 1.00 0.00 H ATOM 69 HA ALA A 5 -2.766 9.052 3.011 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.670 10.542 1.265 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.175 10.320 0.326 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.118 11.128 1.911 1.00 0.00 H ATOM 73 N THR A 6 -2.976 7.843 -0.069 1.00 0.00 N ATOM 74 CA THR A 6 -3.730 6.874 -0.870 1.00 0.00 C ATOM 75 C THR A 6 -2.947 5.592 -1.151 1.00 0.00 C ATOM 76 O THR A 6 -3.381 4.504 -0.773 1.00 0.00 O ATOM 77 CB THR A 6 -4.139 7.515 -2.197 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.976 7.820 -2.952 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.926 8.799 -1.926 1.00 0.00 C ATOM 80 H THR A 6 -2.364 8.468 -0.511 1.00 0.00 H ATOM 81 HA THR A 6 -4.628 6.614 -0.331 1.00 0.00 H ATOM 82 HB THR A 6 -4.760 6.829 -2.753 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.762 8.744 -2.808 1.00 0.00 H ATOM 84 HG21 THR A 6 -5.819 8.563 -1.348 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.217 9.254 -2.873 1.00 0.00 H ATOM 86 HG23 THR A 6 -4.304 9.496 -1.364 1.00 0.00 H ATOM 87 N CYS A 7 -1.810 5.715 -1.827 1.00 0.00 N ATOM 88 CA CYS A 7 -1.012 4.536 -2.155 1.00 0.00 C ATOM 89 C CYS A 7 -0.753 3.704 -0.903 1.00 0.00 C ATOM 90 O CYS A 7 -0.237 2.588 -0.977 1.00 0.00 O ATOM 91 CB CYS A 7 0.310 4.946 -2.805 1.00 0.00 C ATOM 92 SG CYS A 7 -0.023 5.711 -4.411 1.00 0.00 S ATOM 93 H CYS A 7 -1.511 6.599 -2.120 1.00 0.00 H ATOM 94 HA CYS A 7 -1.568 3.937 -2.857 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.820 5.652 -2.174 1.00 0.00 H ATOM 96 HB3 CYS A 7 0.932 4.074 -2.945 1.00 0.00 H ATOM 97 N ALA A 8 -1.118 4.261 0.246 1.00 0.00 N ATOM 98 CA ALA A 8 -0.932 3.581 1.523 1.00 0.00 C ATOM 99 C ALA A 8 -1.656 2.236 1.546 1.00 0.00 C ATOM 100 O ALA A 8 -1.284 1.340 2.302 1.00 0.00 O ATOM 101 CB ALA A 8 -1.462 4.459 2.658 1.00 0.00 C ATOM 102 H ALA A 8 -1.524 5.153 0.234 1.00 0.00 H ATOM 103 HA ALA A 8 0.122 3.412 1.680 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.321 3.947 3.610 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.524 4.652 2.503 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.919 5.404 2.670 1.00 0.00 H ATOM 107 N THR A 9 -2.684 2.097 0.712 1.00 0.00 N ATOM 108 CA THR A 9 -3.442 0.854 0.647 1.00 0.00 C ATOM 109 C THR A 9 -2.822 -0.046 -0.402 1.00 0.00 C ATOM 110 O THR A 9 -2.991 -1.266 -0.399 1.00 0.00 O ATOM 111 CB THR A 9 -4.902 1.143 0.288 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.961 1.754 -0.994 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.510 2.082 1.331 1.00 0.00 C ATOM 114 H THR A 9 -2.924 2.834 0.115 1.00 0.00 H ATOM 115 HA THR A 9 -3.403 0.368 1.602 1.00 0.00 H ATOM 116 HB THR A 9 -5.459 0.219 0.272 1.00 0.00 H ATOM 117 HG1 THR A 9 -4.134 1.577 -1.447 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.465 1.612 2.314 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.549 2.287 1.074 1.00 0.00 H ATOM 120 HG23 THR A 9 -4.950 3.017 1.349 1.00 0.00 H ATOM 121 N GLN A 10 -2.097 0.602 -1.289 1.00 0.00 N ATOM 122 CA GLN A 10 -1.410 -0.059 -2.378 1.00 0.00 C ATOM 123 C GLN A 10 -0.226 -0.842 -1.846 1.00 0.00 C ATOM 124 O GLN A 10 -0.086 -2.037 -2.103 1.00 0.00 O ATOM 125 CB GLN A 10 -0.941 1.005 -3.364 1.00 0.00 C ATOM 126 CG GLN A 10 -0.894 0.438 -4.779 1.00 0.00 C ATOM 127 CD GLN A 10 0.402 -0.335 -4.995 1.00 0.00 C ATOM 128 OE1 GLN A 10 1.439 0.018 -4.430 1.00 0.00 O ATOM 129 NE2 GLN A 10 0.407 -1.374 -5.783 1.00 0.00 N ATOM 130 H GLN A 10 -2.010 1.565 -1.195 1.00 0.00 H ATOM 131 HA GLN A 10 -2.092 -0.731 -2.873 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.631 1.834 -3.340 1.00 0.00 H ATOM 133 HB3 GLN A 10 0.039 1.351 -3.078 1.00 0.00 H ATOM 134 HG2 GLN A 10 -1.736 -0.220 -4.934 1.00 0.00 H ATOM 135 HG3 GLN A 10 -0.947 1.254 -5.480 1.00 0.00 H ATOM 136 HE21 GLN A 10 -0.423 -1.653 -6.234 1.00 0.00 H ATOM 137 HE22 GLN A 10 1.240 -1.878 -5.927 1.00 0.00 H ATOM 138 N ARG A 11 0.612 -0.157 -1.077 1.00 0.00 N ATOM 139 CA ARG A 11 1.772 -0.797 -0.485 1.00 0.00 C ATOM 140 C ARG A 11 1.279 -1.828 0.508 1.00 0.00 C ATOM 141 O ARG A 11 1.873 -2.894 0.677 1.00 0.00 O ATOM 142 CB ARG A 11 2.644 0.239 0.225 1.00 0.00 C ATOM 143 CG ARG A 11 3.673 -0.473 1.107 1.00 0.00 C ATOM 144 CD ARG A 11 4.769 0.515 1.512 1.00 0.00 C ATOM 145 NE ARG A 11 5.819 0.548 0.501 1.00 0.00 N ATOM 146 CZ ARG A 11 6.911 1.288 0.670 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.053 1.999 1.754 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.837 1.304 -0.247 1.00 0.00 N ATOM 149 H ARG A 11 0.432 0.789 -0.891 1.00 0.00 H ATOM 150 HA ARG A 11 2.348 -1.286 -1.257 1.00 0.00 H ATOM 151 HB2 ARG A 11 3.156 0.843 -0.510 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.022 0.871 0.840 1.00 0.00 H ATOM 153 HG2 ARG A 11 3.184 -0.853 1.993 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.114 -1.291 0.558 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.342 1.501 1.613 1.00 0.00 H ATOM 156 HD3 ARG A 11 5.190 0.212 2.460 1.00 0.00 H ATOM 157 HE ARG A 11 5.720 0.017 -0.317 1.00 0.00 H ATOM 158 HH11 ARG A 11 6.343 1.986 2.459 1.00 0.00 H ATOM 159 HH12 ARG A 11 7.873 2.557 1.884 1.00 0.00 H ATOM 160 HH21 ARG A 11 7.728 0.761 -1.079 1.00 0.00 H ATOM 161 HH22 ARG A 11 8.658 1.862 -0.120 1.00 0.00 H ATOM 162 N LEU A 12 0.166 -1.500 1.149 1.00 0.00 N ATOM 163 CA LEU A 12 -0.437 -2.396 2.111 1.00 0.00 C ATOM 164 C LEU A 12 -1.009 -3.613 1.388 1.00 0.00 C ATOM 165 O LEU A 12 -0.947 -4.737 1.879 1.00 0.00 O ATOM 166 CB LEU A 12 -1.528 -1.653 2.891 1.00 0.00 C ATOM 167 CG LEU A 12 -2.750 -2.549 3.110 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.345 -3.763 3.944 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.828 -1.759 3.852 1.00 0.00 C ATOM 170 H LEU A 12 -0.264 -0.642 0.955 1.00 0.00 H ATOM 171 HA LEU A 12 0.320 -2.715 2.793 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.133 -1.349 3.851 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.819 -0.782 2.339 1.00 0.00 H ATOM 174 HG LEU A 12 -3.137 -2.878 2.158 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.214 -4.403 4.101 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.960 -3.430 4.908 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.572 -4.324 3.419 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.439 -1.430 4.816 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.700 -2.393 4.010 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.114 -0.890 3.260 1.00 0.00 H ATOM 181 N ALA A 13 -1.542 -3.370 0.200 1.00 0.00 N ATOM 182 CA ALA A 13 -2.098 -4.423 -0.614 1.00 0.00 C ATOM 183 C ALA A 13 -0.969 -5.204 -1.209 1.00 0.00 C ATOM 184 O ALA A 13 -1.056 -6.400 -1.454 1.00 0.00 O ATOM 185 CB ALA A 13 -2.980 -3.845 -1.723 1.00 0.00 C ATOM 186 H ALA A 13 -1.531 -2.469 -0.152 1.00 0.00 H ATOM 187 HA ALA A 13 -2.672 -5.064 -0.002 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.388 -4.658 -2.324 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.384 -3.189 -2.357 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.797 -3.276 -1.279 1.00 0.00 H ATOM 191 N ASN A 14 0.087 -4.479 -1.447 1.00 0.00 N ATOM 192 CA ASN A 14 1.275 -5.042 -2.040 1.00 0.00 C ATOM 193 C ASN A 14 1.807 -6.192 -1.196 1.00 0.00 C ATOM 194 O ASN A 14 2.489 -7.082 -1.701 1.00 0.00 O ATOM 195 CB ASN A 14 2.353 -3.968 -2.191 1.00 0.00 C ATOM 196 CG ASN A 14 3.539 -4.525 -2.970 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.563 -4.461 -4.200 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.535 -5.071 -2.325 1.00 0.00 N ATOM 199 H ASN A 14 0.054 -3.538 -1.216 1.00 0.00 H ATOM 200 HA ASN A 14 1.012 -5.406 -3.011 1.00 0.00 H ATOM 201 HB2 ASN A 14 1.942 -3.122 -2.720 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.683 -3.652 -1.214 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.515 -5.119 -1.342 1.00 0.00 H ATOM 204 HD22 ASN A 14 5.303 -5.432 -2.823 1.00 0.00 H ATOM 205 N PHE A 15 1.485 -6.168 0.091 1.00 0.00 N ATOM 206 CA PHE A 15 1.924 -7.212 0.997 1.00 0.00 C ATOM 207 C PHE A 15 0.830 -8.248 1.131 1.00 0.00 C ATOM 208 O PHE A 15 1.063 -9.417 1.435 1.00 0.00 O ATOM 209 CB PHE A 15 2.225 -6.585 2.370 1.00 0.00 C ATOM 210 CG PHE A 15 1.152 -6.962 3.383 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.020 -8.290 3.814 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.286 -5.982 3.891 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.034 -8.635 4.742 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.702 -6.332 4.824 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.827 -7.657 5.247 1.00 0.00 C ATOM 216 H PHE A 15 0.918 -5.443 0.441 1.00 0.00 H ATOM 217 HA PHE A 15 2.817 -7.675 0.611 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.185 -6.931 2.717 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.250 -5.509 2.265 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.681 -9.048 3.431 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.379 -4.959 3.564 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.066 -9.657 5.069 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.368 -5.580 5.216 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.588 -7.926 5.964 1.00 0.00 H ATOM 225 N LEU A 16 -0.373 -7.762 0.939 1.00 0.00 N ATOM 226 CA LEU A 16 -1.559 -8.553 1.083 1.00 0.00 C ATOM 227 C LEU A 16 -2.075 -9.029 -0.267 1.00 0.00 C ATOM 228 O LEU A 16 -3.015 -9.819 -0.341 1.00 0.00 O ATOM 229 CB LEU A 16 -2.564 -7.653 1.780 1.00 0.00 C ATOM 230 CG LEU A 16 -3.985 -8.071 1.457 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.910 -7.470 2.513 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.361 -7.537 0.071 1.00 0.00 C ATOM 233 H LEU A 16 -0.472 -6.816 0.721 1.00 0.00 H ATOM 234 HA LEU A 16 -1.353 -9.403 1.712 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.401 -7.694 2.841 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.413 -6.638 1.449 1.00 0.00 H ATOM 237 HG LEU A 16 -4.064 -9.149 1.473 1.00 0.00 H ATOM 238 HD11 LEU A 16 -5.940 -7.758 2.301 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.826 -6.383 2.494 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.626 -7.839 3.498 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.289 -6.449 0.068 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.382 -7.834 -0.169 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.680 -7.948 -0.674 1.00 0.00 H ATOM 244 N VAL A 17 -1.455 -8.543 -1.332 1.00 0.00 N ATOM 245 CA VAL A 17 -1.867 -8.926 -2.668 1.00 0.00 C ATOM 246 C VAL A 17 -1.354 -10.324 -3.000 1.00 0.00 C ATOM 247 O VAL A 17 -1.993 -11.074 -3.735 1.00 0.00 O ATOM 248 CB VAL A 17 -1.343 -7.925 -3.700 1.00 0.00 C ATOM 249 CG1 VAL A 17 0.187 -7.927 -3.684 1.00 0.00 C ATOM 250 CG2 VAL A 17 -1.837 -8.317 -5.096 1.00 0.00 C ATOM 251 H VAL A 17 -0.711 -7.915 -1.216 1.00 0.00 H ATOM 252 HA VAL A 17 -2.941 -8.927 -2.698 1.00 0.00 H ATOM 253 HB VAL A 17 -1.703 -6.936 -3.458 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.559 -7.214 -4.419 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.552 -8.924 -3.929 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.541 -7.644 -2.693 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.474 -9.315 -5.344 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.462 -7.602 -5.829 1.00 0.00 H ATOM 259 HG23 VAL A 17 -2.927 -8.314 -5.111 1.00 0.00 H ATOM 260 N HIS A 18 -0.191 -10.663 -2.452 1.00 0.00 N ATOM 261 CA HIS A 18 0.403 -11.972 -2.696 1.00 0.00 C ATOM 262 C HIS A 18 -0.306 -13.045 -1.875 1.00 0.00 C ATOM 263 O HIS A 18 -0.351 -14.211 -2.266 1.00 0.00 O ATOM 264 CB HIS A 18 1.889 -11.947 -2.333 1.00 0.00 C ATOM 265 CG HIS A 18 2.640 -11.136 -3.354 1.00 0.00 C ATOM 266 ND1 HIS A 18 3.127 -11.692 -4.526 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.997 -9.808 -3.394 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.744 -10.714 -5.215 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.692 -9.547 -4.569 1.00 0.00 N ATOM 270 H HIS A 18 0.274 -10.024 -1.875 1.00 0.00 H ATOM 271 HA HIS A 18 0.305 -12.211 -3.745 1.00 0.00 H ATOM 272 HB2 HIS A 18 2.014 -11.502 -1.357 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.274 -12.955 -2.321 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.769 -9.079 -2.630 1.00 0.00 H ATOM 275 HE1 HIS A 18 4.219 -10.857 -6.175 1.00 0.00 H ATOM 276 HE2 HIS A 18 4.067 -8.689 -4.860 1.00 0.00 H ATOM 277 N SER A 19 -0.859 -12.642 -0.736 1.00 0.00 N ATOM 278 CA SER A 19 -1.565 -13.577 0.132 1.00 0.00 C ATOM 279 C SER A 19 -2.349 -12.826 1.204 1.00 0.00 C ATOM 280 O SER A 19 -3.579 -12.881 1.232 1.00 0.00 O ATOM 281 CB SER A 19 -0.569 -14.526 0.799 1.00 0.00 C ATOM 282 OG SER A 19 -0.910 -14.676 2.171 1.00 0.00 O ATOM 283 H SER A 19 -0.793 -11.699 -0.475 1.00 0.00 H ATOM 284 HA SER A 19 -2.254 -14.158 -0.464 1.00 0.00 H ATOM 285 HB2 SER A 19 -0.607 -15.488 0.316 1.00 0.00 H ATOM 286 HB3 SER A 19 0.429 -14.120 0.708 1.00 0.00 H ATOM 287 HG SER A 19 -1.822 -14.971 2.220 1.00 0.00 H HETATM 288 N NH2 A 20 -1.706 -12.123 2.094 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -2.202 -11.637 2.786 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -0.727 -12.080 2.071 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 19 ATOM 1 N LYS A 1 2.829 12.563 0.559 1.00 0.00 N ATOM 2 CA LYS A 1 3.282 11.319 -0.125 1.00 0.00 C ATOM 3 C LYS A 1 2.085 10.407 -0.364 1.00 0.00 C ATOM 4 O LYS A 1 1.212 10.273 0.496 1.00 0.00 O ATOM 5 CB LYS A 1 4.316 10.604 0.750 1.00 0.00 C ATOM 6 CG LYS A 1 5.676 11.296 0.621 1.00 0.00 C ATOM 7 CD LYS A 1 6.023 11.990 1.939 1.00 0.00 C ATOM 8 CE LYS A 1 7.094 13.053 1.690 1.00 0.00 C ATOM 9 NZ LYS A 1 8.199 12.882 2.676 1.00 0.00 N ATOM 10 H1 LYS A 1 2.638 12.359 1.559 1.00 0.00 H ATOM 11 H2 LYS A 1 1.961 12.912 0.103 1.00 0.00 H ATOM 12 H3 LYS A 1 3.572 13.286 0.489 1.00 0.00 H ATOM 13 HA LYS A 1 3.727 11.574 -1.076 1.00 0.00 H ATOM 14 HB2 LYS A 1 3.993 10.632 1.781 1.00 0.00 H ATOM 15 HB3 LYS A 1 4.408 9.576 0.431 1.00 0.00 H ATOM 16 HG2 LYS A 1 6.434 10.561 0.392 1.00 0.00 H ATOM 17 HG3 LYS A 1 5.638 12.030 -0.169 1.00 0.00 H ATOM 18 HD2 LYS A 1 5.136 12.459 2.343 1.00 0.00 H ATOM 19 HD3 LYS A 1 6.398 11.262 2.642 1.00 0.00 H ATOM 20 HE2 LYS A 1 7.485 12.944 0.688 1.00 0.00 H ATOM 21 HE3 LYS A 1 6.660 14.036 1.801 1.00 0.00 H ATOM 22 HZ1 LYS A 1 7.803 12.821 3.634 1.00 0.00 H ATOM 23 HZ2 LYS A 1 8.843 13.698 2.618 1.00 0.00 H ATOM 24 HZ3 LYS A 1 8.722 12.009 2.464 1.00 0.00 H ATOM 25 N CYS A 2 2.051 9.782 -1.534 1.00 0.00 N ATOM 26 CA CYS A 2 0.959 8.882 -1.879 1.00 0.00 C ATOM 27 C CYS A 2 0.819 7.778 -0.833 1.00 0.00 C ATOM 28 O CYS A 2 -0.255 7.579 -0.265 1.00 0.00 O ATOM 29 CB CYS A 2 1.222 8.261 -3.252 1.00 0.00 C ATOM 30 SG CYS A 2 -0.314 7.570 -3.915 1.00 0.00 S ATOM 31 H CYS A 2 2.775 9.928 -2.178 1.00 0.00 H ATOM 32 HA CYS A 2 0.038 9.445 -1.922 1.00 0.00 H ATOM 33 HB2 CYS A 2 1.593 9.019 -3.925 1.00 0.00 H ATOM 34 HB3 CYS A 2 1.956 7.476 -3.155 1.00 0.00 H ATOM 35 N ASN A 3 1.912 7.059 -0.590 1.00 0.00 N ATOM 36 CA ASN A 3 1.906 5.971 0.385 1.00 0.00 C ATOM 37 C ASN A 3 1.284 6.426 1.696 1.00 0.00 C ATOM 38 O ASN A 3 0.630 5.649 2.388 1.00 0.00 O ATOM 39 CB ASN A 3 3.335 5.493 0.639 1.00 0.00 C ATOM 40 CG ASN A 3 3.751 4.491 -0.434 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.010 4.874 -1.575 1.00 0.00 O ATOM 42 ND2 ASN A 3 3.832 3.224 -0.134 1.00 0.00 N ATOM 43 H ASN A 3 2.739 7.262 -1.078 1.00 0.00 H ATOM 44 HA ASN A 3 1.330 5.147 -0.005 1.00 0.00 H ATOM 45 HB2 ASN A 3 4.005 6.341 0.617 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.389 5.020 1.609 1.00 0.00 H ATOM 47 HD21 ASN A 3 3.627 2.922 0.780 1.00 0.00 H ATOM 48 HD22 ASN A 3 4.098 2.573 -0.822 1.00 0.00 H ATOM 49 N THR A 4 1.500 7.687 2.037 1.00 0.00 N ATOM 50 CA THR A 4 0.962 8.232 3.275 1.00 0.00 C ATOM 51 C THR A 4 -0.552 8.419 3.193 1.00 0.00 C ATOM 52 O THR A 4 -1.263 8.195 4.173 1.00 0.00 O ATOM 53 CB THR A 4 1.624 9.576 3.584 1.00 0.00 C ATOM 54 OG1 THR A 4 2.937 9.351 4.080 1.00 0.00 O ATOM 55 CG2 THR A 4 0.800 10.323 4.633 1.00 0.00 C ATOM 56 H THR A 4 2.037 8.260 1.450 1.00 0.00 H ATOM 57 HA THR A 4 1.182 7.547 4.080 1.00 0.00 H ATOM 58 HB THR A 4 1.676 10.168 2.683 1.00 0.00 H ATOM 59 HG1 THR A 4 3.070 8.403 4.152 1.00 0.00 H ATOM 60 HG21 THR A 4 -0.206 10.494 4.251 1.00 0.00 H ATOM 61 HG22 THR A 4 1.272 11.280 4.853 1.00 0.00 H ATOM 62 HG23 THR A 4 0.746 9.728 5.545 1.00 0.00 H ATOM 63 N ALA A 5 -1.044 8.865 2.038 1.00 0.00 N ATOM 64 CA ALA A 5 -2.476 9.108 1.887 1.00 0.00 C ATOM 65 C ALA A 5 -3.210 7.974 1.167 1.00 0.00 C ATOM 66 O ALA A 5 -4.007 7.262 1.778 1.00 0.00 O ATOM 67 CB ALA A 5 -2.691 10.409 1.112 1.00 0.00 C ATOM 68 H ALA A 5 -0.437 9.053 1.292 1.00 0.00 H ATOM 69 HA ALA A 5 -2.908 9.227 2.867 1.00 0.00 H ATOM 70 HB1 ALA A 5 -3.759 10.592 0.998 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.230 10.327 0.128 1.00 0.00 H ATOM 72 HB3 ALA A 5 -2.237 11.237 1.657 1.00 0.00 H ATOM 73 N THR A 6 -2.980 7.836 -0.137 1.00 0.00 N ATOM 74 CA THR A 6 -3.677 6.811 -0.915 1.00 0.00 C ATOM 75 C THR A 6 -2.850 5.540 -1.115 1.00 0.00 C ATOM 76 O THR A 6 -3.270 4.454 -0.717 1.00 0.00 O ATOM 77 CB THR A 6 -4.057 7.384 -2.281 1.00 0.00 C ATOM 78 OG1 THR A 6 -4.330 8.772 -2.152 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.299 6.664 -2.811 1.00 0.00 C ATOM 80 H THR A 6 -2.362 8.448 -0.587 1.00 0.00 H ATOM 81 HA THR A 6 -4.586 6.549 -0.397 1.00 0.00 H ATOM 82 HB THR A 6 -3.242 7.239 -2.972 1.00 0.00 H ATOM 83 HG1 THR A 6 -3.533 9.201 -1.825 1.00 0.00 H ATOM 84 HG21 THR A 6 -5.088 5.599 -2.911 1.00 0.00 H ATOM 85 HG22 THR A 6 -5.569 7.073 -3.785 1.00 0.00 H ATOM 86 HG23 THR A 6 -6.126 6.806 -2.116 1.00 0.00 H ATOM 87 N CYS A 7 -1.695 5.670 -1.758 1.00 0.00 N ATOM 88 CA CYS A 7 -0.853 4.510 -2.026 1.00 0.00 C ATOM 89 C CYS A 7 -0.592 3.714 -0.748 1.00 0.00 C ATOM 90 O CYS A 7 -0.023 2.623 -0.783 1.00 0.00 O ATOM 91 CB CYS A 7 0.469 4.942 -2.662 1.00 0.00 C ATOM 92 SG CYS A 7 0.144 5.640 -4.298 1.00 0.00 S ATOM 93 H CYS A 7 -1.415 6.555 -2.074 1.00 0.00 H ATOM 94 HA CYS A 7 -1.374 3.874 -2.722 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.940 5.684 -2.047 1.00 0.00 H ATOM 96 HB3 CYS A 7 1.120 4.086 -2.761 1.00 0.00 H ATOM 97 N ALA A 8 -1.008 4.262 0.382 1.00 0.00 N ATOM 98 CA ALA A 8 -0.813 3.588 1.659 1.00 0.00 C ATOM 99 C ALA A 8 -1.451 2.200 1.651 1.00 0.00 C ATOM 100 O ALA A 8 -1.051 1.324 2.415 1.00 0.00 O ATOM 101 CB ALA A 8 -1.437 4.420 2.780 1.00 0.00 C ATOM 102 H ALA A 8 -1.455 5.134 0.358 1.00 0.00 H ATOM 103 HA ALA A 8 0.244 3.489 1.847 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.290 3.914 3.734 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.504 4.539 2.594 1.00 0.00 H ATOM 106 HB3 ALA A 8 -0.962 5.401 2.813 1.00 0.00 H ATOM 107 N THR A 9 -2.446 2.008 0.786 1.00 0.00 N ATOM 108 CA THR A 9 -3.139 0.727 0.685 1.00 0.00 C ATOM 109 C THR A 9 -2.498 -0.125 -0.393 1.00 0.00 C ATOM 110 O THR A 9 -2.648 -1.346 -0.434 1.00 0.00 O ATOM 111 CB THR A 9 -4.614 0.954 0.349 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.747 1.213 -1.041 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.143 2.149 1.145 1.00 0.00 C ATOM 114 H THR A 9 -2.709 2.736 0.186 1.00 0.00 H ATOM 115 HA THR A 9 -3.070 0.216 1.625 1.00 0.00 H ATOM 116 HB THR A 9 -5.183 0.075 0.607 1.00 0.00 H ATOM 117 HG1 THR A 9 -3.927 0.954 -1.471 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.041 1.949 2.212 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.194 2.310 0.905 1.00 0.00 H ATOM 120 HG23 THR A 9 -4.571 3.040 0.886 1.00 0.00 H ATOM 121 N GLN A 10 -1.800 0.565 -1.268 1.00 0.00 N ATOM 122 CA GLN A 10 -1.122 -0.046 -2.393 1.00 0.00 C ATOM 123 C GLN A 10 0.062 -0.860 -1.914 1.00 0.00 C ATOM 124 O GLN A 10 0.190 -2.042 -2.232 1.00 0.00 O ATOM 125 CB GLN A 10 -0.675 1.066 -3.336 1.00 0.00 C ATOM 126 CG GLN A 10 0.551 0.641 -4.133 1.00 0.00 C ATOM 127 CD GLN A 10 0.243 -0.612 -4.946 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.399 -1.534 -4.447 1.00 0.00 O ATOM 129 NE2 GLN A 10 0.668 -0.699 -6.177 1.00 0.00 N ATOM 130 H GLN A 10 -1.737 1.526 -1.150 1.00 0.00 H ATOM 131 HA GLN A 10 -1.810 -0.693 -2.914 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.480 1.305 -4.010 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.430 1.938 -2.761 1.00 0.00 H ATOM 134 HG2 GLN A 10 0.818 1.446 -4.793 1.00 0.00 H ATOM 135 HG3 GLN A 10 1.372 0.444 -3.461 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.183 0.041 -6.572 1.00 0.00 H ATOM 137 HE22 GLN A 10 0.474 -1.506 -6.706 1.00 0.00 H ATOM 138 N ARG A 11 0.914 -0.227 -1.120 1.00 0.00 N ATOM 139 CA ARG A 11 2.066 -0.917 -0.577 1.00 0.00 C ATOM 140 C ARG A 11 1.562 -1.961 0.398 1.00 0.00 C ATOM 141 O ARG A 11 2.088 -3.072 0.482 1.00 0.00 O ATOM 142 CB ARG A 11 2.985 0.071 0.147 1.00 0.00 C ATOM 143 CG ARG A 11 4.389 -0.529 0.278 1.00 0.00 C ATOM 144 CD ARG A 11 4.810 -0.535 1.750 1.00 0.00 C ATOM 145 NE ARG A 11 4.739 0.813 2.306 1.00 0.00 N ATOM 146 CZ ARG A 11 5.072 1.051 3.571 1.00 0.00 C ATOM 147 NH1 ARG A 11 5.462 0.070 4.338 1.00 0.00 N ATOM 148 NH2 ARG A 11 5.004 2.265 4.048 1.00 0.00 N ATOM 149 H ARG A 11 0.746 0.708 -0.877 1.00 0.00 H ATOM 150 HA ARG A 11 2.609 -1.400 -1.377 1.00 0.00 H ATOM 151 HB2 ARG A 11 3.039 0.989 -0.421 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.589 0.277 1.128 1.00 0.00 H ATOM 153 HG2 ARG A 11 4.385 -1.542 -0.099 1.00 0.00 H ATOM 154 HG3 ARG A 11 5.089 0.064 -0.291 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.152 -1.184 2.308 1.00 0.00 H ATOM 156 HD3 ARG A 11 5.824 -0.902 1.828 1.00 0.00 H ATOM 157 HE ARG A 11 4.443 1.553 1.738 1.00 0.00 H ATOM 158 HH11 ARG A 11 5.512 -0.860 3.975 1.00 0.00 H ATOM 159 HH12 ARG A 11 5.713 0.248 5.291 1.00 0.00 H ATOM 160 HH21 ARG A 11 4.704 3.017 3.462 1.00 0.00 H ATOM 161 HH22 ARG A 11 5.256 2.442 5.000 1.00 0.00 H ATOM 162 N LEU A 12 0.514 -1.588 1.119 1.00 0.00 N ATOM 163 CA LEU A 12 -0.101 -2.479 2.078 1.00 0.00 C ATOM 164 C LEU A 12 -0.819 -3.616 1.357 1.00 0.00 C ATOM 165 O LEU A 12 -0.880 -4.743 1.847 1.00 0.00 O ATOM 166 CB LEU A 12 -1.078 -1.691 2.957 1.00 0.00 C ATOM 167 CG LEU A 12 -2.294 -2.549 3.322 1.00 0.00 C ATOM 168 CD1 LEU A 12 -1.841 -3.759 4.130 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.264 -1.711 4.158 1.00 0.00 C ATOM 170 H LEU A 12 0.138 -0.691 0.987 1.00 0.00 H ATOM 171 HA LEU A 12 0.667 -2.884 2.696 1.00 0.00 H ATOM 172 HB2 LEU A 12 -0.574 -1.385 3.862 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.404 -0.820 2.421 1.00 0.00 H ATOM 174 HG LEU A 12 -2.793 -2.881 2.426 1.00 0.00 H ATOM 175 HD11 LEU A 12 -2.707 -4.368 4.389 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.348 -3.423 5.042 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.144 -4.352 3.538 1.00 0.00 H ATOM 178 HD21 LEU A 12 -2.765 -1.376 5.067 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.132 -2.315 4.422 1.00 0.00 H ATOM 180 HD23 LEU A 12 -3.587 -0.844 3.581 1.00 0.00 H ATOM 181 N ALA A 13 -1.356 -3.295 0.186 1.00 0.00 N ATOM 182 CA ALA A 13 -2.072 -4.249 -0.630 1.00 0.00 C ATOM 183 C ALA A 13 -1.094 -5.189 -1.263 1.00 0.00 C ATOM 184 O ALA A 13 -1.376 -6.357 -1.528 1.00 0.00 O ATOM 185 CB ALA A 13 -2.876 -3.524 -1.711 1.00 0.00 C ATOM 186 H ALA A 13 -1.253 -2.395 -0.147 1.00 0.00 H ATOM 187 HA ALA A 13 -2.727 -4.798 -0.016 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.410 -4.254 -2.318 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.199 -2.951 -2.345 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.592 -2.850 -1.241 1.00 0.00 H ATOM 191 N ASN A 14 0.056 -4.632 -1.512 1.00 0.00 N ATOM 192 CA ASN A 14 1.129 -5.357 -2.140 1.00 0.00 C ATOM 193 C ASN A 14 1.465 -6.605 -1.340 1.00 0.00 C ATOM 194 O ASN A 14 1.855 -7.632 -1.895 1.00 0.00 O ATOM 195 CB ASN A 14 2.367 -4.467 -2.257 1.00 0.00 C ATOM 196 CG ASN A 14 3.453 -5.188 -3.048 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.599 -4.964 -4.250 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.229 -6.046 -2.443 1.00 0.00 N ATOM 199 H ASN A 14 0.177 -3.702 -1.263 1.00 0.00 H ATOM 200 HA ASN A 14 0.806 -5.634 -3.121 1.00 0.00 H ATOM 201 HB2 ASN A 14 2.102 -3.551 -2.764 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.736 -4.237 -1.270 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.109 -6.223 -1.483 1.00 0.00 H ATOM 204 HD22 ASN A 14 4.932 -6.514 -2.948 1.00 0.00 H ATOM 205 N PHE A 15 1.297 -6.504 -0.029 1.00 0.00 N ATOM 206 CA PHE A 15 1.564 -7.619 0.859 1.00 0.00 C ATOM 207 C PHE A 15 0.262 -8.351 1.133 1.00 0.00 C ATOM 208 O PHE A 15 0.225 -9.398 1.779 1.00 0.00 O ATOM 209 CB PHE A 15 2.179 -7.083 2.159 1.00 0.00 C ATOM 210 CG PHE A 15 1.241 -7.305 3.326 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.097 -8.583 3.876 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.514 -6.232 3.853 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.223 -8.789 4.949 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.360 -6.440 4.929 1.00 0.00 C ATOM 215 CZ PHE A 15 -0.505 -7.717 5.475 1.00 0.00 C ATOM 216 H PHE A 15 0.959 -5.663 0.352 1.00 0.00 H ATOM 217 HA PHE A 15 2.262 -8.294 0.387 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.114 -7.584 2.347 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.360 -6.021 2.045 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.658 -9.411 3.471 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.626 -5.245 3.430 1.00 0.00 H ATOM 222 HE1 PHE A 15 0.108 -9.774 5.368 1.00 0.00 H ATOM 223 HE2 PHE A 15 -0.922 -5.615 5.336 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.178 -7.877 6.304 1.00 0.00 H ATOM 225 N LEU A 16 -0.805 -7.752 0.644 1.00 0.00 N ATOM 226 CA LEU A 16 -2.139 -8.267 0.828 1.00 0.00 C ATOM 227 C LEU A 16 -2.623 -8.946 -0.439 1.00 0.00 C ATOM 228 O LEU A 16 -3.531 -9.775 -0.410 1.00 0.00 O ATOM 229 CB LEU A 16 -3.030 -7.079 1.149 1.00 0.00 C ATOM 230 CG LEU A 16 -4.041 -7.421 2.231 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.423 -7.120 3.599 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.282 -6.552 2.026 1.00 0.00 C ATOM 233 H LEU A 16 -0.696 -6.917 0.148 1.00 0.00 H ATOM 234 HA LEU A 16 -2.155 -8.962 1.652 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.413 -6.267 1.499 1.00 0.00 H ATOM 236 HB3 LEU A 16 -3.544 -6.774 0.259 1.00 0.00 H ATOM 237 HG LEU A 16 -4.307 -8.467 2.168 1.00 0.00 H ATOM 238 HD11 LEU A 16 -4.140 -7.362 4.383 1.00 0.00 H ATOM 239 HD12 LEU A 16 -3.165 -6.063 3.657 1.00 0.00 H ATOM 240 HD13 LEU A 16 -2.523 -7.721 3.732 1.00 0.00 H ATOM 241 HD21 LEU A 16 -5.005 -5.500 2.095 1.00 0.00 H ATOM 242 HD22 LEU A 16 -6.020 -6.784 2.794 1.00 0.00 H ATOM 243 HD23 LEU A 16 -5.708 -6.752 1.043 1.00 0.00 H ATOM 244 N VAL A 17 -2.014 -8.573 -1.557 1.00 0.00 N ATOM 245 CA VAL A 17 -2.396 -9.138 -2.836 1.00 0.00 C ATOM 246 C VAL A 17 -1.822 -10.542 -3.002 1.00 0.00 C ATOM 247 O VAL A 17 -2.473 -11.427 -3.555 1.00 0.00 O ATOM 248 CB VAL A 17 -1.910 -8.239 -3.975 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.397 -8.393 -4.140 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.607 -8.642 -5.276 1.00 0.00 C ATOM 251 H VAL A 17 -1.302 -7.900 -1.518 1.00 0.00 H ATOM 252 HA VAL A 17 -3.467 -9.190 -2.870 1.00 0.00 H ATOM 253 HB VAL A 17 -2.143 -7.209 -3.744 1.00 0.00 H ATOM 254 HG11 VAL A 17 -0.052 -7.752 -4.952 1.00 0.00 H ATOM 255 HG12 VAL A 17 -0.160 -9.431 -4.372 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.101 -8.105 -3.214 1.00 0.00 H ATOM 257 HG21 VAL A 17 -2.372 -9.681 -5.508 1.00 0.00 H ATOM 258 HG22 VAL A 17 -2.261 -8.002 -6.088 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.685 -8.531 -5.161 1.00 0.00 H ATOM 260 N HIS A 18 -0.598 -10.736 -2.519 1.00 0.00 N ATOM 261 CA HIS A 18 0.053 -12.036 -2.620 1.00 0.00 C ATOM 262 C HIS A 18 -0.375 -12.939 -1.467 1.00 0.00 C ATOM 263 O HIS A 18 -0.310 -14.164 -1.569 1.00 0.00 O ATOM 264 CB HIS A 18 1.573 -11.862 -2.594 1.00 0.00 C ATOM 265 CG HIS A 18 2.021 -11.177 -3.856 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.001 -11.809 -5.088 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.505 -9.914 -4.091 1.00 0.00 C ATOM 268 CE1 HIS A 18 2.461 -10.936 -6.002 1.00 0.00 C ATOM 269 NE2 HIS A 18 2.782 -9.764 -5.446 1.00 0.00 N ATOM 270 H HIS A 18 -0.128 -9.993 -2.088 1.00 0.00 H ATOM 271 HA HIS A 18 -0.228 -12.501 -3.552 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.852 -11.263 -1.740 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.045 -12.831 -2.523 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.649 -9.153 -3.338 1.00 0.00 H ATOM 275 HE1 HIS A 18 2.558 -11.153 -7.054 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.137 -8.969 -5.896 1.00 0.00 H ATOM 277 N SER A 19 -0.814 -12.323 -0.372 1.00 0.00 N ATOM 278 CA SER A 19 -1.253 -13.077 0.797 1.00 0.00 C ATOM 279 C SER A 19 -0.558 -14.434 0.856 1.00 0.00 C ATOM 280 O SER A 19 -1.206 -15.459 1.071 1.00 0.00 O ATOM 281 CB SER A 19 -2.769 -13.276 0.748 1.00 0.00 C ATOM 282 OG SER A 19 -3.147 -14.261 1.702 1.00 0.00 O ATOM 283 H SER A 19 -0.844 -11.344 -0.351 1.00 0.00 H ATOM 284 HA SER A 19 -1.004 -12.518 1.687 1.00 0.00 H ATOM 285 HB2 SER A 19 -3.263 -12.348 0.983 1.00 0.00 H ATOM 286 HB3 SER A 19 -3.057 -13.594 -0.245 1.00 0.00 H ATOM 287 HG SER A 19 -2.368 -14.780 1.916 1.00 0.00 H HETATM 288 N NH2 A 20 0.732 -14.503 0.676 1.00 0.00 N HETATM 289 HN1 NH2 A 20 1.188 -15.369 0.711 1.00 0.00 H HETATM 290 HN2 NH2 A 20 1.247 -13.686 0.504 1.00 0.00 H TER 291 NH2 A 20 ENDMDL MODEL 20 ATOM 1 N LYS A 1 4.267 11.049 -2.562 1.00 0.00 N ATOM 2 CA LYS A 1 4.236 10.667 -1.123 1.00 0.00 C ATOM 3 C LYS A 1 2.816 10.255 -0.742 1.00 0.00 C ATOM 4 O LYS A 1 2.394 10.433 0.401 1.00 0.00 O ATOM 5 CB LYS A 1 4.683 11.860 -0.274 1.00 0.00 C ATOM 6 CG LYS A 1 5.857 12.563 -0.959 1.00 0.00 C ATOM 7 CD LYS A 1 5.351 13.812 -1.686 1.00 0.00 C ATOM 8 CE LYS A 1 6.310 14.177 -2.823 1.00 0.00 C ATOM 9 NZ LYS A 1 7.474 14.925 -2.272 1.00 0.00 N ATOM 10 H1 LYS A 1 4.795 10.332 -3.101 1.00 0.00 H ATOM 11 H2 LYS A 1 4.735 11.973 -2.665 1.00 0.00 H ATOM 12 H3 LYS A 1 3.296 11.109 -2.927 1.00 0.00 H ATOM 13 HA LYS A 1 4.907 9.836 -0.958 1.00 0.00 H ATOM 14 HB2 LYS A 1 3.861 12.552 -0.165 1.00 0.00 H ATOM 15 HB3 LYS A 1 4.993 11.512 0.701 1.00 0.00 H ATOM 16 HG2 LYS A 1 6.588 12.849 -0.216 1.00 0.00 H ATOM 17 HG3 LYS A 1 6.312 11.890 -1.671 1.00 0.00 H ATOM 18 HD2 LYS A 1 4.369 13.616 -2.093 1.00 0.00 H ATOM 19 HD3 LYS A 1 5.293 14.635 -0.989 1.00 0.00 H ATOM 20 HE2 LYS A 1 6.657 13.277 -3.308 1.00 0.00 H ATOM 21 HE3 LYS A 1 5.794 14.796 -3.543 1.00 0.00 H ATOM 22 HZ1 LYS A 1 8.336 14.355 -2.379 1.00 0.00 H ATOM 23 HZ2 LYS A 1 7.313 15.124 -1.262 1.00 0.00 H ATOM 24 HZ3 LYS A 1 7.588 15.821 -2.788 1.00 0.00 H ATOM 25 N CYS A 2 2.088 9.702 -1.707 1.00 0.00 N ATOM 26 CA CYS A 2 0.716 9.269 -1.465 1.00 0.00 C ATOM 27 C CYS A 2 0.673 8.172 -0.403 1.00 0.00 C ATOM 28 O CYS A 2 -0.362 7.947 0.224 1.00 0.00 O ATOM 29 CB CYS A 2 0.071 8.770 -2.761 1.00 0.00 C ATOM 30 SG CYS A 2 1.277 7.839 -3.740 1.00 0.00 S ATOM 31 H CYS A 2 2.479 9.586 -2.598 1.00 0.00 H ATOM 32 HA CYS A 2 0.149 10.115 -1.104 1.00 0.00 H ATOM 33 HB2 CYS A 2 -0.766 8.130 -2.523 1.00 0.00 H ATOM 34 HB3 CYS A 2 -0.280 9.616 -3.334 1.00 0.00 H ATOM 35 N ASN A 3 1.798 7.487 -0.208 1.00 0.00 N ATOM 36 CA ASN A 3 1.864 6.413 0.781 1.00 0.00 C ATOM 37 C ASN A 3 1.180 6.856 2.065 1.00 0.00 C ATOM 38 O ASN A 3 0.651 6.036 2.817 1.00 0.00 O ATOM 39 CB ASN A 3 3.330 6.054 1.058 1.00 0.00 C ATOM 40 CG ASN A 3 3.523 5.680 2.526 1.00 0.00 C ATOM 41 OD1 ASN A 3 3.064 4.625 2.964 1.00 0.00 O ATOM 42 ND2 ASN A 3 4.176 6.490 3.315 1.00 0.00 N ATOM 43 H ASN A 3 2.593 7.704 -0.737 1.00 0.00 H ATOM 44 HA ASN A 3 1.357 5.541 0.400 1.00 0.00 H ATOM 45 HB2 ASN A 3 3.614 5.217 0.437 1.00 0.00 H ATOM 46 HB3 ASN A 3 3.956 6.902 0.821 1.00 0.00 H ATOM 47 HD21 ASN A 3 4.540 7.332 2.960 1.00 0.00 H ATOM 48 HD22 ASN A 3 4.304 6.256 4.261 1.00 0.00 H ATOM 49 N THR A 4 1.192 8.157 2.302 1.00 0.00 N ATOM 50 CA THR A 4 0.570 8.710 3.492 1.00 0.00 C ATOM 51 C THR A 4 -0.955 8.651 3.404 1.00 0.00 C ATOM 52 O THR A 4 -1.624 8.321 4.382 1.00 0.00 O ATOM 53 CB THR A 4 1.009 10.164 3.678 1.00 0.00 C ATOM 54 OG1 THR A 4 2.388 10.286 3.358 1.00 0.00 O ATOM 55 CG2 THR A 4 0.780 10.584 5.130 1.00 0.00 C ATOM 56 H THR A 4 1.628 8.759 1.664 1.00 0.00 H ATOM 57 HA THR A 4 0.890 8.141 4.350 1.00 0.00 H ATOM 58 HB THR A 4 0.429 10.802 3.029 1.00 0.00 H ATOM 59 HG1 THR A 4 2.885 9.739 3.970 1.00 0.00 H ATOM 60 HG21 THR A 4 -0.278 10.490 5.373 1.00 0.00 H ATOM 61 HG22 THR A 4 1.093 11.620 5.263 1.00 0.00 H ATOM 62 HG23 THR A 4 1.362 9.942 5.791 1.00 0.00 H ATOM 63 N ALA A 5 -1.509 9.012 2.244 1.00 0.00 N ATOM 64 CA ALA A 5 -2.962 9.026 2.089 1.00 0.00 C ATOM 65 C ALA A 5 -3.520 7.799 1.356 1.00 0.00 C ATOM 66 O ALA A 5 -4.202 6.973 1.961 1.00 0.00 O ATOM 67 CB ALA A 5 -3.380 10.291 1.338 1.00 0.00 C ATOM 68 H ALA A 5 -0.937 9.296 1.500 1.00 0.00 H ATOM 69 HA ALA A 5 -3.405 9.063 3.072 1.00 0.00 H ATOM 70 HB1 ALA A 5 -4.464 10.304 1.221 1.00 0.00 H ATOM 71 HB2 ALA A 5 -2.909 10.303 0.355 1.00 0.00 H ATOM 72 HB3 ALA A 5 -3.066 11.169 1.902 1.00 0.00 H ATOM 73 N THR A 6 -3.276 7.705 0.046 1.00 0.00 N ATOM 74 CA THR A 6 -3.827 6.591 -0.735 1.00 0.00 C ATOM 75 C THR A 6 -2.837 5.442 -0.938 1.00 0.00 C ATOM 76 O THR A 6 -3.108 4.310 -0.537 1.00 0.00 O ATOM 77 CB THR A 6 -4.283 7.105 -2.103 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.658 8.352 -2.370 1.00 0.00 O ATOM 79 CG2 THR A 6 -5.802 7.282 -2.108 1.00 0.00 C ATOM 80 H THR A 6 -2.760 8.405 -0.403 1.00 0.00 H ATOM 81 HA THR A 6 -4.690 6.207 -0.216 1.00 0.00 H ATOM 82 HB THR A 6 -4.006 6.393 -2.866 1.00 0.00 H ATOM 83 HG1 THR A 6 -2.731 8.276 -2.134 1.00 0.00 H ATOM 84 HG21 THR A 6 -6.281 6.324 -1.905 1.00 0.00 H ATOM 85 HG22 THR A 6 -6.122 7.648 -3.083 1.00 0.00 H ATOM 86 HG23 THR A 6 -6.087 8.000 -1.339 1.00 0.00 H ATOM 87 N CYS A 7 -1.708 5.723 -1.580 1.00 0.00 N ATOM 88 CA CYS A 7 -0.719 4.678 -1.841 1.00 0.00 C ATOM 89 C CYS A 7 -0.498 3.823 -0.594 1.00 0.00 C ATOM 90 O CYS A 7 0.178 2.796 -0.642 1.00 0.00 O ATOM 91 CB CYS A 7 0.606 5.291 -2.291 1.00 0.00 C ATOM 92 SG CYS A 7 0.433 6.014 -3.939 1.00 0.00 S ATOM 93 H CYS A 7 -1.543 6.635 -1.897 1.00 0.00 H ATOM 94 HA CYS A 7 -1.093 4.046 -2.632 1.00 0.00 H ATOM 95 HB2 CYS A 7 0.893 6.061 -1.604 1.00 0.00 H ATOM 96 HB3 CYS A 7 1.369 4.526 -2.314 1.00 0.00 H ATOM 97 N ALA A 8 -1.067 4.260 0.521 1.00 0.00 N ATOM 98 CA ALA A 8 -0.928 3.534 1.778 1.00 0.00 C ATOM 99 C ALA A 8 -1.619 2.172 1.708 1.00 0.00 C ATOM 100 O ALA A 8 -1.274 1.258 2.455 1.00 0.00 O ATOM 101 CB ALA A 8 -1.531 4.357 2.920 1.00 0.00 C ATOM 102 H ALA A 8 -1.590 5.088 0.501 1.00 0.00 H ATOM 103 HA ALA A 8 0.121 3.383 1.979 1.00 0.00 H ATOM 104 HB1 ALA A 8 -1.425 3.811 3.857 1.00 0.00 H ATOM 105 HB2 ALA A 8 -2.588 4.535 2.721 1.00 0.00 H ATOM 106 HB3 ALA A 8 -1.010 5.311 2.995 1.00 0.00 H ATOM 107 N THR A 9 -2.593 2.043 0.808 1.00 0.00 N ATOM 108 CA THR A 9 -3.322 0.787 0.645 1.00 0.00 C ATOM 109 C THR A 9 -2.637 -0.060 -0.407 1.00 0.00 C ATOM 110 O THR A 9 -2.805 -1.278 -0.478 1.00 0.00 O ATOM 111 CB THR A 9 -4.765 1.071 0.219 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.394 1.887 1.196 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.532 -0.245 0.082 1.00 0.00 C ATOM 114 H THR A 9 -2.812 2.798 0.225 1.00 0.00 H ATOM 115 HA THR A 9 -3.329 0.261 1.581 1.00 0.00 H ATOM 116 HB THR A 9 -4.765 1.582 -0.731 1.00 0.00 H ATOM 117 HG1 THR A 9 -5.482 1.373 2.001 1.00 0.00 H ATOM 118 HG21 THR A 9 -5.051 -0.870 -0.670 1.00 0.00 H ATOM 119 HG22 THR A 9 -6.558 -0.038 -0.221 1.00 0.00 H ATOM 120 HG23 THR A 9 -5.535 -0.766 1.039 1.00 0.00 H ATOM 121 N GLN A 10 -1.872 0.632 -1.225 1.00 0.00 N ATOM 122 CA GLN A 10 -1.128 0.031 -2.312 1.00 0.00 C ATOM 123 C GLN A 10 0.021 -0.795 -1.767 1.00 0.00 C ATOM 124 O GLN A 10 0.175 -1.971 -2.101 1.00 0.00 O ATOM 125 CB GLN A 10 -0.620 1.157 -3.209 1.00 0.00 C ATOM 126 CG GLN A 10 0.604 0.717 -4.005 1.00 0.00 C ATOM 127 CD GLN A 10 0.243 -0.434 -4.940 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.838 -1.010 -4.830 1.00 0.00 O ATOM 129 NE2 GLN A 10 1.092 -0.804 -5.860 1.00 0.00 N ATOM 130 H GLN A 10 -1.796 1.589 -1.079 1.00 0.00 H ATOM 131 HA GLN A 10 -1.786 -0.604 -2.884 1.00 0.00 H ATOM 132 HB2 GLN A 10 -1.403 1.449 -3.891 1.00 0.00 H ATOM 133 HB3 GLN A 10 -0.355 2.002 -2.597 1.00 0.00 H ATOM 134 HG2 GLN A 10 0.947 1.555 -4.581 1.00 0.00 H ATOM 135 HG3 GLN A 10 1.386 0.405 -3.331 1.00 0.00 H ATOM 136 HE21 GLN A 10 1.956 -0.341 -5.946 1.00 0.00 H ATOM 137 HE22 GLN A 10 0.865 -1.547 -6.465 1.00 0.00 H ATOM 138 N ARG A 11 0.817 -0.176 -0.908 1.00 0.00 N ATOM 139 CA ARG A 11 1.936 -0.868 -0.298 1.00 0.00 C ATOM 140 C ARG A 11 1.387 -1.924 0.642 1.00 0.00 C ATOM 141 O ARG A 11 1.954 -3.005 0.794 1.00 0.00 O ATOM 142 CB ARG A 11 2.810 0.118 0.479 1.00 0.00 C ATOM 143 CG ARG A 11 4.269 -0.337 0.426 1.00 0.00 C ATOM 144 CD ARG A 11 5.157 0.717 1.088 1.00 0.00 C ATOM 145 NE ARG A 11 5.668 1.647 0.088 1.00 0.00 N ATOM 146 CZ ARG A 11 6.812 2.296 0.274 1.00 0.00 C ATOM 147 NH1 ARG A 11 7.497 2.107 1.368 1.00 0.00 N ATOM 148 NH2 ARG A 11 7.249 3.121 -0.638 1.00 0.00 N ATOM 149 H ARG A 11 0.631 0.756 -0.663 1.00 0.00 H ATOM 150 HA ARG A 11 2.526 -1.344 -1.067 1.00 0.00 H ATOM 151 HB2 ARG A 11 2.723 1.100 0.038 1.00 0.00 H ATOM 152 HB3 ARG A 11 2.484 0.156 1.507 1.00 0.00 H ATOM 153 HG2 ARG A 11 4.373 -1.277 0.950 1.00 0.00 H ATOM 154 HG3 ARG A 11 4.571 -0.464 -0.603 1.00 0.00 H ATOM 155 HD2 ARG A 11 4.579 1.263 1.818 1.00 0.00 H ATOM 156 HD3 ARG A 11 5.985 0.228 1.580 1.00 0.00 H ATOM 157 HE ARG A 11 5.158 1.795 -0.736 1.00 0.00 H ATOM 158 HH11 ARG A 11 7.162 1.476 2.065 1.00 0.00 H ATOM 159 HH12 ARG A 11 8.359 2.595 1.507 1.00 0.00 H ATOM 160 HH21 ARG A 11 6.723 3.266 -1.474 1.00 0.00 H ATOM 161 HH22 ARG A 11 8.112 3.608 -0.499 1.00 0.00 H ATOM 162 N LEU A 12 0.262 -1.590 1.260 1.00 0.00 N ATOM 163 CA LEU A 12 -0.392 -2.499 2.178 1.00 0.00 C ATOM 164 C LEU A 12 -0.983 -3.686 1.418 1.00 0.00 C ATOM 165 O LEU A 12 -0.971 -4.819 1.896 1.00 0.00 O ATOM 166 CB LEU A 12 -1.478 -1.749 2.958 1.00 0.00 C ATOM 167 CG LEU A 12 -2.713 -2.633 3.162 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.321 -3.877 3.954 1.00 0.00 C ATOM 169 CD2 LEU A 12 -3.772 -1.848 3.938 1.00 0.00 C ATOM 170 H LEU A 12 -0.140 -0.714 1.086 1.00 0.00 H ATOM 171 HA LEU A 12 0.339 -2.855 2.868 1.00 0.00 H ATOM 172 HB2 LEU A 12 -1.086 -1.459 3.923 1.00 0.00 H ATOM 173 HB3 LEU A 12 -1.756 -0.869 2.412 1.00 0.00 H ATOM 174 HG LEU A 12 -3.112 -2.928 2.205 1.00 0.00 H ATOM 175 HD11 LEU A 12 -3.198 -4.507 4.100 1.00 0.00 H ATOM 176 HD12 LEU A 12 -1.922 -3.580 4.924 1.00 0.00 H ATOM 177 HD13 LEU A 12 -1.562 -4.434 3.405 1.00 0.00 H ATOM 178 HD21 LEU A 12 -3.369 -1.554 4.907 1.00 0.00 H ATOM 179 HD22 LEU A 12 -4.653 -2.473 4.086 1.00 0.00 H ATOM 180 HD23 LEU A 12 -4.050 -0.957 3.375 1.00 0.00 H ATOM 181 N ALA A 13 -1.486 -3.414 0.223 1.00 0.00 N ATOM 182 CA ALA A 13 -2.063 -4.440 -0.613 1.00 0.00 C ATOM 183 C ALA A 13 -0.961 -5.268 -1.198 1.00 0.00 C ATOM 184 O ALA A 13 -1.103 -6.456 -1.464 1.00 0.00 O ATOM 185 CB ALA A 13 -2.899 -3.815 -1.731 1.00 0.00 C ATOM 186 H ALA A 13 -1.444 -2.510 -0.117 1.00 0.00 H ATOM 187 HA ALA A 13 -2.677 -5.060 -0.019 1.00 0.00 H ATOM 188 HB1 ALA A 13 -3.326 -4.604 -2.351 1.00 0.00 H ATOM 189 HB2 ALA A 13 -2.265 -3.174 -2.345 1.00 0.00 H ATOM 190 HB3 ALA A 13 -3.703 -3.221 -1.296 1.00 0.00 H ATOM 191 N ASN A 14 0.131 -4.593 -1.409 1.00 0.00 N ATOM 192 CA ASN A 14 1.302 -5.204 -1.993 1.00 0.00 C ATOM 193 C ASN A 14 1.746 -6.412 -1.180 1.00 0.00 C ATOM 194 O ASN A 14 2.382 -7.328 -1.704 1.00 0.00 O ATOM 195 CB ASN A 14 2.445 -4.192 -2.078 1.00 0.00 C ATOM 196 CG ASN A 14 3.660 -4.833 -2.741 1.00 0.00 C ATOM 197 OD1 ASN A 14 3.665 -5.048 -3.954 1.00 0.00 O ATOM 198 ND2 ASN A 14 4.696 -5.151 -2.017 1.00 0.00 N ATOM 199 H ASN A 14 0.142 -3.654 -1.166 1.00 0.00 H ATOM 200 HA ASN A 14 1.044 -5.516 -2.983 1.00 0.00 H ATOM 201 HB2 ASN A 14 2.127 -3.339 -2.659 1.00 0.00 H ATOM 202 HB3 ASN A 14 2.713 -3.869 -1.083 1.00 0.00 H ATOM 203 HD21 ASN A 14 4.690 -4.976 -1.048 1.00 0.00 H ATOM 204 HD22 ASN A 14 5.484 -5.564 -2.439 1.00 0.00 H ATOM 205 N PHE A 15 1.407 -6.406 0.101 1.00 0.00 N ATOM 206 CA PHE A 15 1.769 -7.499 0.984 1.00 0.00 C ATOM 207 C PHE A 15 0.613 -8.469 1.086 1.00 0.00 C ATOM 208 O PHE A 15 0.771 -9.651 1.387 1.00 0.00 O ATOM 209 CB PHE A 15 2.095 -6.920 2.370 1.00 0.00 C ATOM 210 CG PHE A 15 0.992 -7.248 3.367 1.00 0.00 C ATOM 211 CD1 PHE A 15 0.778 -8.572 3.776 1.00 0.00 C ATOM 212 CD2 PHE A 15 0.184 -6.225 3.884 1.00 0.00 C ATOM 213 CE1 PHE A 15 -0.237 -8.870 4.693 1.00 0.00 C ATOM 214 CE2 PHE A 15 -0.831 -6.529 4.805 1.00 0.00 C ATOM 215 CZ PHE A 15 -1.038 -7.849 5.208 1.00 0.00 C ATOM 216 H PHE A 15 0.884 -5.655 0.466 1.00 0.00 H ATOM 217 HA PHE A 15 2.635 -8.005 0.596 1.00 0.00 H ATOM 218 HB2 PHE A 15 3.027 -7.331 2.717 1.00 0.00 H ATOM 219 HB3 PHE A 15 2.188 -5.845 2.286 1.00 0.00 H ATOM 220 HD1 PHE A 15 1.393 -9.364 3.386 1.00 0.00 H ATOM 221 HD2 PHE A 15 0.339 -5.205 3.574 1.00 0.00 H ATOM 222 HE1 PHE A 15 -0.401 -9.891 5.003 1.00 0.00 H ATOM 223 HE2 PHE A 15 -1.450 -5.743 5.206 1.00 0.00 H ATOM 224 HZ PHE A 15 -1.820 -8.081 5.915 1.00 0.00 H ATOM 225 N LEU A 16 -0.554 -7.913 0.875 1.00 0.00 N ATOM 226 CA LEU A 16 -1.785 -8.637 0.991 1.00 0.00 C ATOM 227 C LEU A 16 -2.315 -9.057 -0.371 1.00 0.00 C ATOM 228 O LEU A 16 -3.300 -9.788 -0.465 1.00 0.00 O ATOM 229 CB LEU A 16 -2.744 -7.692 1.698 1.00 0.00 C ATOM 230 CG LEU A 16 -4.183 -8.025 1.361 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.077 -7.399 2.428 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.524 -7.441 -0.013 1.00 0.00 C ATOM 233 H LEU A 16 -0.595 -6.960 0.664 1.00 0.00 H ATOM 234 HA LEU A 16 -1.635 -9.509 1.604 1.00 0.00 H ATOM 235 HB2 LEU A 16 -2.589 -7.761 2.757 1.00 0.00 H ATOM 236 HB3 LEU A 16 -2.532 -6.684 1.387 1.00 0.00 H ATOM 237 HG LEU A 16 -4.320 -9.097 1.353 1.00 0.00 H ATOM 238 HD11 LEU A 16 -6.120 -7.625 2.207 1.00 0.00 H ATOM 239 HD12 LEU A 16 -4.934 -6.318 2.435 1.00 0.00 H ATOM 240 HD13 LEU A 16 -4.817 -7.806 3.405 1.00 0.00 H ATOM 241 HD21 LEU A 16 -4.394 -6.359 0.009 1.00 0.00 H ATOM 242 HD22 LEU A 16 -5.559 -7.677 -0.262 1.00 0.00 H ATOM 243 HD23 LEU A 16 -3.863 -7.871 -0.765 1.00 0.00 H ATOM 244 N VAL A 17 -1.659 -8.594 -1.426 1.00 0.00 N ATOM 245 CA VAL A 17 -2.087 -8.939 -2.768 1.00 0.00 C ATOM 246 C VAL A 17 -1.606 -10.336 -3.139 1.00 0.00 C ATOM 247 O VAL A 17 -2.284 -11.067 -3.862 1.00 0.00 O ATOM 248 CB VAL A 17 -1.559 -7.927 -3.788 1.00 0.00 C ATOM 249 CG1 VAL A 17 -0.037 -8.042 -3.890 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.183 -8.217 -5.156 1.00 0.00 C ATOM 251 H VAL A 17 -0.878 -8.014 -1.299 1.00 0.00 H ATOM 252 HA VAL A 17 -3.161 -8.919 -2.785 1.00 0.00 H ATOM 253 HB VAL A 17 -1.825 -6.929 -3.476 1.00 0.00 H ATOM 254 HG11 VAL A 17 0.335 -7.320 -4.617 1.00 0.00 H ATOM 255 HG12 VAL A 17 0.231 -9.049 -4.209 1.00 0.00 H ATOM 256 HG13 VAL A 17 0.409 -7.839 -2.916 1.00 0.00 H ATOM 257 HG21 VAL A 17 -1.916 -9.226 -5.471 1.00 0.00 H ATOM 258 HG22 VAL A 17 -1.810 -7.499 -5.886 1.00 0.00 H ATOM 259 HG23 VAL A 17 -3.268 -8.133 -5.086 1.00 0.00 H ATOM 260 N HIS A 18 -0.429 -10.700 -2.641 1.00 0.00 N ATOM 261 CA HIS A 18 0.137 -12.013 -2.927 1.00 0.00 C ATOM 262 C HIS A 18 -0.504 -13.078 -2.041 1.00 0.00 C ATOM 263 O HIS A 18 -1.145 -14.005 -2.537 1.00 0.00 O ATOM 264 CB HIS A 18 1.649 -11.991 -2.693 1.00 0.00 C ATOM 265 CG HIS A 18 2.314 -11.219 -3.799 1.00 0.00 C ATOM 266 ND1 HIS A 18 2.723 -11.822 -4.978 1.00 0.00 N ATOM 267 CD2 HIS A 18 2.644 -9.891 -3.924 1.00 0.00 C ATOM 268 CE1 HIS A 18 3.270 -10.868 -5.755 1.00 0.00 C ATOM 269 NE2 HIS A 18 3.248 -9.673 -5.159 1.00 0.00 N ATOM 270 H HIS A 18 0.067 -10.076 -2.071 1.00 0.00 H ATOM 271 HA HIS A 18 -0.050 -12.258 -3.961 1.00 0.00 H ATOM 272 HB2 HIS A 18 1.861 -11.516 -1.746 1.00 0.00 H ATOM 273 HB3 HIS A 18 2.029 -13.001 -2.683 1.00 0.00 H ATOM 274 HD2 HIS A 18 2.465 -9.134 -3.176 1.00 0.00 H ATOM 275 HE1 HIS A 18 3.677 -11.048 -6.738 1.00 0.00 H ATOM 276 HE2 HIS A 18 3.581 -8.824 -5.516 1.00 0.00 H ATOM 277 N SER A 19 -0.330 -12.937 -0.732 1.00 0.00 N ATOM 278 CA SER A 19 -0.899 -13.891 0.211 1.00 0.00 C ATOM 279 C SER A 19 -2.414 -13.728 0.287 1.00 0.00 C ATOM 280 O SER A 19 -2.935 -13.186 1.261 1.00 0.00 O ATOM 281 CB SER A 19 -0.292 -13.682 1.599 1.00 0.00 C ATOM 282 OG SER A 19 -0.956 -14.521 2.536 1.00 0.00 O ATOM 283 H SER A 19 0.189 -12.178 -0.394 1.00 0.00 H ATOM 284 HA SER A 19 -0.672 -14.893 -0.122 1.00 0.00 H ATOM 285 HB2 SER A 19 0.755 -13.934 1.577 1.00 0.00 H ATOM 286 HB3 SER A 19 -0.404 -12.644 1.884 1.00 0.00 H ATOM 287 HG SER A 19 -0.345 -14.705 3.252 1.00 0.00 H HETATM 288 N NH2 A 20 -3.158 -14.166 -0.692 1.00 0.00 N HETATM 289 HN1 NH2 A 20 -4.132 -14.063 -0.652 1.00 0.00 H HETATM 290 HN2 NH2 A 20 -2.742 -14.597 -1.468 1.00 0.00 H TER 291 NH2 A 20 ENDMDL CONECT 30 92 CONECT 92 30 CONECT 288 289 290 CONECT 289 288 CONECT 290 288 MASTER 156 0 1 2 0 0 0 6 144 1 5 2 END