HEADER APOPTOSIS 26-AUG-99 1CWW TITLE SOLUTION STRUCTURE OF THE CASPASE RECRUITMENT DOMAIN (CARD) TITLE 2 FROM APAF-1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOTIC PROTEASE ACTIVATING FACTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CASPASE RECRUITMENT DOMAIN; COMPND 5 SYNONYM: CARD OF APAF-1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PGEX 6P-3 KEYWDS HELICAL BUNDLE EXPDTA NMR, 20 STRUCTURES AUTHOR C.L.DAY,C.DUPONT,M.LACKMANN,D.L.VAUX,M.G.HINDS REVDAT 1 21-JAN-00 1CWW 0 JRNL AUTH C.L.DAY,C.DUPONT,M.LACKMANN,D.L.VAUX,M.G.HINDS JRNL TITL SOLUTION STRUCTURE AND MUTAGENESIS OF THE CASPASE JRNL TITL 2 RECRUITMENT DOMAIN (CARD) FROM APAF-1. JRNL REF CELL DEATH DIFFER. V. 6 1125 1999 JRNL REFN UK ISSN 1350-9047 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 2314 NOE-DERIVED DISTANCE CONSTRAINTS, 31 HYDROGEN BOND REMARK 3 CONSTRAINTS AND 173 DIHEDRAL ANGLE CONSTRAINTS. REMARK 4 REMARK 4 1CWW COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-16) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB . REMARK 100 THE RCSB ID CODE IS RCSB009593. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 30; 30; 30 REMARK 210 PH : 6.7; 6.7; 6.7 REMARK 210 IONIC STRENGTH : NULL; NULL; NULL REMARK 210 PRESSURE : NULL; NULL; NULL REMARK 210 SAMPLE CONTENTS : UNLABELLED 1.5MM APAF-1 CARD REMARK 210 20MM SODIUM PHOSPHATE PH 6.7 REMARK 210 75MM NACL 2MM DITHIOTHREITOL; REMARK 210 U-15N 1.5MM APAF-1 CARD 20MM REMARK 210 SODIUM PHOSPHATE PH 6.7 75MM REMARK 210 NACL 2MM DITHIOTHREITOL; U- REMARK 210 15N; U-13C 1.5MM APAF-1 CARD REMARK 210 20MM SODIUM PHOSPHATE PH 6.7 REMARK 210 75MM NACL 2MM DITHIOTHREITOL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, HNHA, 3D_13C-SEPARATED_ REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.1, XEASY 1.3.13, REMARK 210 DYANA 1.5 REMARK 210 METHOD USED : DISTANCE GEOMETRY TORSION REMARK 210 ANGLE DYNAMICS SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 250 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS, REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 4 GLY A -5 N GLY A -5 CA 0.035 REMARK 500 8 GLY A -5 N GLY A -5 CA 0.037 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 PRO A 47 N - CA - C ANGL. DEV. = 5.4 DEGREES REMARK 500 10 PRO A 47 N - CA - C ANGL. DEV. = 6.4 DEGREES REMARK 500 20 LEU A 83 N - CA - C ANGL. DEV. = -5.7 DEGREES 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 M RES CSSEQI PSI PHI REMARK 500 1 SER A 95 -70.68 77.35 REMARK 500 2 SER A 23 -101.94 29.09 REMARK 500 2 SER A 95 -62.79 74.56 REMARK 500 3 SER A 23 -111.86 49.21 REMARK 500 5 SER A 23 -101.36 30.45 REMARK 500 6 SER A 23 -107.57 44.48 REMARK 500 9 SER A 23 -106.92 40.13 REMARK 500 11 SER A 23 -100.55 26.41 REMARK 500 17 SER A 23 -91.94 31.78 REMARK 500 19 SER A 23 -109.16 39.56 DBREF 1CWW A 1 97 UNP O14727 APAF_HUMAN 1 97 SEQADV 1CWW GLY A -5 UNP O14727 EXPRESSION ARTIFACT SEQADV 1CWW PRO A -4 UNP O14727 EXPRESSION ARTIFACT SEQADV 1CWW LEU A -3 UNP O14727 EXPRESSION ARTIFACT SEQADV 1CWW GLY A -2 UNP O14727 EXPRESSION ARTIFACT SEQADV 1CWW SER A -1 UNP O14727 EXPRESSION ARTIFACT SEQRES 1 A 102 GLY PRO LEU GLY SER MET ASP ALA LYS ALA ARG ASN CYS SEQRES 2 A 102 LEU LEU GLN HIS ARG GLU ALA LEU GLU LYS ASP ILE LYS SEQRES 3 A 102 THR SER TYR ILE MET ASP HIS MET ILE SER ASP GLY PHE SEQRES 4 A 102 LEU THR ILE SER GLU GLU GLU LYS VAL ARG ASN GLU PRO SEQRES 5 A 102 THR GLN GLN GLN ARG ALA ALA MET LEU ILE LYS MET ILE SEQRES 6 A 102 LEU LYS LYS ASP ASN ASP SER TYR VAL SER PHE TYR ASN SEQRES 7 A 102 ALA LEU LEU HIS GLU GLY TYR LYS ASP LEU ALA ALA LEU SEQRES 8 A 102 LEU HIS ASP GLY ILE PRO VAL VAL SER SER SER HELIX 1 1 ASP A 2 GLN A 11 1 10 HELIX 2 2 ALA A 15 ILE A 20 1 6 HELIX 3 3 THR A 22 ASP A 32 1 11 HELIX 4 4 THR A 36 GLU A 46 1 11 HELIX 5 5 THR A 48 LEU A 61 1 14 HELIX 6 6 ASP A 64 GLU A 78 1 15 HELIX 7 7 TYR A 80 ASP A 89 1 10 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 GLY A -5 6.954 -20.704 -6.649 1.00 0.00 N ATOM 2 CA GLY A -5 7.353 -19.739 -7.705 1.00 0.00 C ATOM 3 C GLY A -5 6.392 -18.572 -7.802 1.00 0.00 C ATOM 4 O GLY A -5 5.220 -18.757 -8.137 1.00 0.00 O ATOM 5 HA2 GLY A -5 8.337 -19.360 -7.472 1.00 0.00 H ATOM 6 HA3 GLY A -5 7.384 -20.248 -8.654 1.00 0.00 H ATOM 7 H1 GLY A -5 7.684 -20.756 -5.909 1.00 0.00 H ATOM 8 H2 GLY A -5 6.832 -21.654 -7.061 1.00 0.00 H ATOM 9 H3 GLY A -5 6.053 -20.407 -6.210 1.00 0.00 H ATOM 10 N PRO A -4 6.860 -17.350 -7.498 1.00 0.00 N ATOM 11 CA PRO A -4 6.025 -16.144 -7.538 1.00 0.00 C ATOM 12 C PRO A -4 5.560 -15.808 -8.950 1.00 0.00 C ATOM 13 O PRO A -4 6.374 -15.573 -9.847 1.00 0.00 O ATOM 14 CB PRO A -4 6.944 -15.042 -6.998 1.00 0.00 C ATOM 15 CG PRO A -4 8.075 -15.751 -6.338 1.00 0.00 C ATOM 16 CD PRO A -4 8.237 -17.044 -7.078 1.00 0.00 C ATOM 17 HA PRO A -4 5.166 -16.241 -6.894 1.00 0.00 H ATOM 18 HB2 PRO A -4 7.290 -14.425 -7.816 1.00 0.00 H ATOM 19 HB3 PRO A -4 6.396 -14.437 -6.289 1.00 0.00 H ATOM 20 HG2 PRO A -4 8.975 -15.162 -6.413 1.00 0.00 H ATOM 21 HG3 PRO A -4 7.836 -15.942 -5.304 1.00 0.00 H ATOM 22 HD2 PRO A -4 8.885 -16.914 -7.935 1.00 0.00 H ATOM 23 HD3 PRO A -4 8.621 -17.812 -6.425 1.00 0.00 H ATOM 24 N LEU A -3 4.252 -15.773 -9.146 1.00 0.00 N ATOM 25 CA LEU A -3 3.695 -15.454 -10.445 1.00 0.00 C ATOM 26 C LEU A -3 2.866 -14.181 -10.371 1.00 0.00 C ATOM 27 O LEU A -3 2.263 -13.886 -9.337 1.00 0.00 O ATOM 28 CB LEU A -3 2.862 -16.620 -10.984 1.00 0.00 C ATOM 29 CG LEU A -3 1.819 -17.221 -10.026 1.00 0.00 C ATOM 30 CD1 LEU A -3 0.530 -16.406 -10.023 1.00 0.00 C ATOM 31 CD2 LEU A -3 1.529 -18.661 -10.414 1.00 0.00 C ATOM 32 H LEU A -3 3.642 -15.963 -8.391 1.00 0.00 H ATOM 33 HA LEU A -3 4.526 -15.282 -11.118 1.00 0.00 H ATOM 34 HB2 LEU A -3 2.344 -16.269 -11.863 1.00 0.00 H ATOM 35 HB3 LEU A -3 3.543 -17.404 -11.279 1.00 0.00 H ATOM 36 HG LEU A -3 2.216 -17.218 -9.023 1.00 0.00 H ATOM 37 HD11 LEU A -3 0.772 -15.352 -10.025 1.00 0.00 H ATOM 38 HD12 LEU A -3 -0.042 -16.643 -9.139 1.00 0.00 H ATOM 39 HD13 LEU A -3 -0.050 -16.644 -10.903 1.00 0.00 H ATOM 40 HD21 LEU A -3 1.467 -19.269 -9.524 1.00 0.00 H ATOM 41 HD22 LEU A -3 2.319 -19.035 -11.049 1.00 0.00 H ATOM 42 HD23 LEU A -3 0.590 -18.708 -10.945 1.00 0.00 H ATOM 43 N GLY A -2 2.855 -13.418 -11.454 1.00 0.00 N ATOM 44 CA GLY A -2 2.107 -12.177 -11.480 1.00 0.00 C ATOM 45 C GLY A -2 2.721 -11.119 -10.578 1.00 0.00 C ATOM 46 O GLY A -2 2.021 -10.249 -10.067 1.00 0.00 O ATOM 47 H GLY A -2 3.370 -13.698 -12.247 1.00 0.00 H ATOM 48 HA2 GLY A -2 2.093 -11.798 -12.489 1.00 0.00 H ATOM 49 HA3 GLY A -2 1.090 -12.366 -11.157 1.00 0.00 H ATOM 50 N SER A -1 4.034 -11.180 -10.384 1.00 0.00 N ATOM 51 CA SER A -1 4.720 -10.205 -9.546 1.00 0.00 C ATOM 52 C SER A -1 4.722 -8.840 -10.224 1.00 0.00 C ATOM 53 O SER A -1 4.300 -8.710 -11.378 1.00 0.00 O ATOM 54 CB SER A -1 6.150 -10.661 -9.258 1.00 0.00 C ATOM 55 OG SER A -1 6.173 -11.972 -8.701 1.00 0.00 O ATOM 56 H SER A -1 4.557 -11.896 -10.820 1.00 0.00 H ATOM 57 HA SER A -1 4.183 -10.121 -8.615 1.00 0.00 H ATOM 58 HB2 SER A -1 6.719 -10.657 -10.179 1.00 0.00 H ATOM 59 HB3 SER A -1 6.600 -9.980 -8.549 1.00 0.00 H ATOM 60 HG SER A -1 5.330 -12.146 -8.251 1.00 0.00 H ATOM 61 N MET A 1 5.181 -7.821 -9.511 1.00 0.00 N ATOM 62 CA MET A 1 5.221 -6.484 -10.046 1.00 0.00 C ATOM 63 C MET A 1 6.230 -6.409 -11.176 1.00 0.00 C ATOM 64 O MET A 1 7.400 -6.769 -11.015 1.00 0.00 O ATOM 65 CB MET A 1 5.567 -5.470 -8.961 1.00 0.00 C ATOM 66 CG MET A 1 5.343 -4.033 -9.393 1.00 0.00 C ATOM 67 SD MET A 1 5.434 -2.884 -8.014 1.00 0.00 S ATOM 68 CE MET A 1 4.271 -3.651 -6.891 1.00 0.00 C ATOM 69 H MET A 1 5.504 -7.977 -8.599 1.00 0.00 H ATOM 70 HA MET A 1 4.238 -6.259 -10.437 1.00 0.00 H ATOM 71 HB2 MET A 1 4.958 -5.663 -8.090 1.00 0.00 H ATOM 72 HB3 MET A 1 6.608 -5.586 -8.697 1.00 0.00 H ATOM 73 HG2 MET A 1 6.100 -3.764 -10.116 1.00 0.00 H ATOM 74 HG3 MET A 1 4.365 -3.949 -9.847 1.00 0.00 H ATOM 75 HE1 MET A 1 3.275 -3.575 -7.300 1.00 0.00 H ATOM 76 HE2 MET A 1 4.309 -3.156 -5.933 1.00 0.00 H ATOM 77 HE3 MET A 1 4.527 -4.691 -6.764 1.00 0.00 H ATOM 78 N ASP A 2 5.753 -5.964 -12.317 1.00 0.00 N ATOM 79 CA ASP A 2 6.573 -5.852 -13.510 1.00 0.00 C ATOM 80 C ASP A 2 7.634 -4.777 -13.340 1.00 0.00 C ATOM 81 O ASP A 2 7.374 -3.724 -12.769 1.00 0.00 O ATOM 82 CB ASP A 2 5.695 -5.544 -14.720 1.00 0.00 C ATOM 83 CG ASP A 2 6.497 -5.458 -15.999 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.050 -6.488 -16.432 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.597 -4.347 -16.560 1.00 0.00 O ATOM 86 H ASP A 2 4.815 -5.712 -12.359 1.00 0.00 H ATOM 87 HA ASP A 2 7.067 -6.795 -13.661 1.00 0.00 H ATOM 88 HB2 ASP A 2 4.954 -6.319 -14.829 1.00 0.00 H ATOM 89 HB3 ASP A 2 5.201 -4.594 -14.561 1.00 0.00 H ATOM 90 N ALA A 3 8.828 -5.070 -13.826 1.00 0.00 N ATOM 91 CA ALA A 3 9.952 -4.155 -13.731 1.00 0.00 C ATOM 92 C ALA A 3 9.656 -2.857 -14.460 1.00 0.00 C ATOM 93 O ALA A 3 9.867 -1.776 -13.924 1.00 0.00 O ATOM 94 CB ALA A 3 11.209 -4.803 -14.288 1.00 0.00 C ATOM 95 H ALA A 3 8.957 -5.938 -14.255 1.00 0.00 H ATOM 96 HA ALA A 3 10.117 -3.935 -12.688 1.00 0.00 H ATOM 97 HB1 ALA A 3 11.778 -5.226 -13.479 1.00 0.00 H ATOM 98 HB2 ALA A 3 11.804 -4.060 -14.797 1.00 0.00 H ATOM 99 HB3 ALA A 3 10.936 -5.585 -14.986 1.00 0.00 H ATOM 100 N LYS A 4 9.143 -2.968 -15.678 1.00 0.00 N ATOM 101 CA LYS A 4 8.802 -1.789 -16.468 1.00 0.00 C ATOM 102 C LYS A 4 7.712 -0.994 -15.759 1.00 0.00 C ATOM 103 O LYS A 4 7.734 0.235 -15.756 1.00 0.00 O ATOM 104 CB LYS A 4 8.343 -2.185 -17.875 1.00 0.00 C ATOM 105 CG LYS A 4 8.047 -1.004 -18.788 1.00 0.00 C ATOM 106 CD LYS A 4 9.307 -0.224 -19.124 1.00 0.00 C ATOM 107 CE LYS A 4 9.008 0.955 -20.034 1.00 0.00 C ATOM 108 NZ LYS A 4 8.386 0.534 -21.319 1.00 0.00 N ATOM 109 H LYS A 4 8.977 -3.864 -16.048 1.00 0.00 H ATOM 110 HA LYS A 4 9.683 -1.171 -16.541 1.00 0.00 H ATOM 111 HB2 LYS A 4 9.120 -2.780 -18.335 1.00 0.00 H ATOM 112 HB3 LYS A 4 7.447 -2.786 -17.791 1.00 0.00 H ATOM 113 HG2 LYS A 4 7.605 -1.374 -19.701 1.00 0.00 H ATOM 114 HG3 LYS A 4 7.350 -0.349 -18.300 1.00 0.00 H ATOM 115 HD2 LYS A 4 9.747 0.140 -18.212 1.00 0.00 H ATOM 116 HD3 LYS A 4 10.003 -0.880 -19.620 1.00 0.00 H ATOM 117 HE2 LYS A 4 8.333 1.622 -19.523 1.00 0.00 H ATOM 118 HE3 LYS A 4 9.932 1.473 -20.246 1.00 0.00 H ATOM 119 HZ1 LYS A 4 8.605 -0.464 -21.519 1.00 0.00 H ATOM 120 HZ2 LYS A 4 8.745 1.122 -22.102 1.00 0.00 H ATOM 121 HZ3 LYS A 4 7.349 0.646 -21.267 1.00 0.00 H ATOM 122 N ALA A 5 6.780 -1.709 -15.140 1.00 0.00 N ATOM 123 CA ALA A 5 5.690 -1.090 -14.403 1.00 0.00 C ATOM 124 C ALA A 5 6.214 -0.403 -13.150 1.00 0.00 C ATOM 125 O ALA A 5 6.082 0.811 -12.988 1.00 0.00 O ATOM 126 CB ALA A 5 4.679 -2.167 -14.020 1.00 0.00 C ATOM 127 H ALA A 5 6.832 -2.696 -15.169 1.00 0.00 H ATOM 128 HA ALA A 5 5.199 -0.349 -15.034 1.00 0.00 H ATOM 129 HB1 ALA A 5 3.739 -1.977 -14.514 1.00 0.00 H ATOM 130 HB2 ALA A 5 4.533 -2.159 -12.948 1.00 0.00 H ATOM 131 HB3 ALA A 5 5.055 -3.136 -14.318 1.00 0.00 H ATOM 132 N ARG A 6 6.806 -1.194 -12.267 1.00 0.00 N ATOM 133 CA ARG A 6 7.342 -0.691 -11.005 1.00 0.00 C ATOM 134 C ARG A 6 8.331 0.458 -11.221 1.00 0.00 C ATOM 135 O ARG A 6 8.411 1.385 -10.417 1.00 0.00 O ATOM 136 CB ARG A 6 8.008 -1.836 -10.248 1.00 0.00 C ATOM 137 CG ARG A 6 8.475 -1.457 -8.854 1.00 0.00 C ATOM 138 CD ARG A 6 9.955 -1.719 -8.682 1.00 0.00 C ATOM 139 NE ARG A 6 10.222 -2.835 -7.775 1.00 0.00 N ATOM 140 CZ ARG A 6 11.437 -3.236 -7.418 1.00 0.00 C ATOM 141 NH1 ARG A 6 12.517 -2.575 -7.827 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.560 -4.290 -6.625 1.00 0.00 N ATOM 143 H ARG A 6 6.882 -2.166 -12.468 1.00 0.00 H ATOM 144 HA ARG A 6 6.510 -0.325 -10.422 1.00 0.00 H ATOM 145 HB2 ARG A 6 7.301 -2.649 -10.164 1.00 0.00 H ATOM 146 HB3 ARG A 6 8.864 -2.173 -10.815 1.00 0.00 H ATOM 147 HG2 ARG A 6 8.284 -0.406 -8.692 1.00 0.00 H ATOM 148 HG3 ARG A 6 7.930 -2.042 -8.129 1.00 0.00 H ATOM 149 HD2 ARG A 6 10.369 -1.951 -9.651 1.00 0.00 H ATOM 150 HD3 ARG A 6 10.419 -0.828 -8.292 1.00 0.00 H ATOM 151 HE ARG A 6 9.445 -3.320 -7.422 1.00 0.00 H ATOM 152 HH11 ARG A 6 12.420 -1.753 -8.407 1.00 0.00 H ATOM 153 HH12 ARG A 6 13.438 -2.879 -7.549 1.00 0.00 H ATOM 154 HH21 ARG A 6 10.739 -4.760 -6.294 1.00 0.00 H ATOM 155 HH22 ARG A 6 12.471 -4.628 -6.360 1.00 0.00 H ATOM 156 N ASN A 7 9.073 0.402 -12.314 1.00 0.00 N ATOM 157 CA ASN A 7 10.042 1.438 -12.625 1.00 0.00 C ATOM 158 C ASN A 7 9.361 2.702 -13.074 1.00 0.00 C ATOM 159 O ASN A 7 9.666 3.752 -12.559 1.00 0.00 O ATOM 160 CB ASN A 7 11.043 0.991 -13.692 1.00 0.00 C ATOM 161 CG ASN A 7 12.256 0.286 -13.121 1.00 0.00 C ATOM 162 OD1 ASN A 7 12.962 0.824 -12.269 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.512 -0.921 -13.593 1.00 0.00 N ATOM 164 H ASN A 7 8.963 -0.348 -12.924 1.00 0.00 H ATOM 165 HA ASN A 7 10.566 1.665 -11.713 1.00 0.00 H ATOM 166 HB2 ASN A 7 10.547 0.314 -14.371 1.00 0.00 H ATOM 167 HB3 ASN A 7 11.379 1.857 -14.241 1.00 0.00 H ATOM 168 HD21 ASN A 7 11.910 -1.287 -14.272 1.00 0.00 H ATOM 169 HD22 ASN A 7 13.304 -1.397 -13.256 1.00 0.00 H ATOM 170 N CYS A 8 8.435 2.614 -14.012 1.00 0.00 N ATOM 171 CA CYS A 8 7.727 3.805 -14.484 1.00 0.00 C ATOM 172 C CYS A 8 7.145 4.585 -13.307 1.00 0.00 C ATOM 173 O CYS A 8 6.981 5.802 -13.368 1.00 0.00 O ATOM 174 CB CYS A 8 6.624 3.396 -15.472 1.00 0.00 C ATOM 175 SG CYS A 8 7.228 2.755 -17.058 1.00 0.00 S ATOM 176 H CYS A 8 8.210 1.737 -14.392 1.00 0.00 H ATOM 177 HA CYS A 8 8.440 4.448 -14.978 1.00 0.00 H ATOM 178 HB2 CYS A 8 6.024 2.624 -15.015 1.00 0.00 H ATOM 179 HB3 CYS A 8 5.997 4.247 -15.676 1.00 0.00 H ATOM 180 HG CYS A 8 7.455 1.453 -16.907 1.00 0.00 H ATOM 181 N LEU A 9 6.880 3.878 -12.229 1.00 0.00 N ATOM 182 CA LEU A 9 6.362 4.484 -11.030 1.00 0.00 C ATOM 183 C LEU A 9 7.460 5.152 -10.212 1.00 0.00 C ATOM 184 O LEU A 9 7.381 6.341 -9.918 1.00 0.00 O ATOM 185 CB LEU A 9 5.667 3.423 -10.182 1.00 0.00 C ATOM 186 CG LEU A 9 5.625 3.707 -8.679 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.666 4.852 -8.368 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.233 2.454 -7.906 1.00 0.00 C ATOM 189 H LEU A 9 7.060 2.913 -12.236 1.00 0.00 H ATOM 190 HA LEU A 9 5.636 5.232 -11.327 1.00 0.00 H ATOM 191 HB2 LEU A 9 4.654 3.326 -10.539 1.00 0.00 H ATOM 192 HB3 LEU A 9 6.176 2.482 -10.337 1.00 0.00 H ATOM 193 HG LEU A 9 6.615 4.000 -8.366 1.00 0.00 H ATOM 194 HD11 LEU A 9 5.218 5.770 -8.226 1.00 0.00 H ATOM 195 HD12 LEU A 9 4.115 4.626 -7.471 1.00 0.00 H ATOM 196 HD13 LEU A 9 3.976 4.972 -9.188 1.00 0.00 H ATOM 197 HD21 LEU A 9 6.049 1.744 -7.931 1.00 0.00 H ATOM 198 HD22 LEU A 9 4.356 2.010 -8.358 1.00 0.00 H ATOM 199 HD23 LEU A 9 5.014 2.716 -6.880 1.00 0.00 H ATOM 200 N LEU A 10 8.462 4.379 -9.817 1.00 0.00 N ATOM 201 CA LEU A 10 9.542 4.904 -8.983 1.00 0.00 C ATOM 202 C LEU A 10 10.526 5.781 -9.771 1.00 0.00 C ATOM 203 O LEU A 10 11.024 6.786 -9.262 1.00 0.00 O ATOM 204 CB LEU A 10 10.295 3.733 -8.364 1.00 0.00 C ATOM 205 CG LEU A 10 9.482 2.827 -7.446 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.275 1.580 -7.100 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.089 3.566 -6.189 1.00 0.00 C ATOM 208 H LEU A 10 8.461 3.415 -10.065 1.00 0.00 H ATOM 209 HA LEU A 10 9.086 5.495 -8.185 1.00 0.00 H ATOM 210 HB2 LEU A 10 10.662 3.127 -9.170 1.00 0.00 H ATOM 211 HB3 LEU A 10 11.133 4.122 -7.806 1.00 0.00 H ATOM 212 HG LEU A 10 8.577 2.522 -7.952 1.00 0.00 H ATOM 213 HD11 LEU A 10 9.854 1.121 -6.218 1.00 0.00 H ATOM 214 HD12 LEU A 10 11.301 1.848 -6.907 1.00 0.00 H ATOM 215 HD13 LEU A 10 10.230 0.884 -7.925 1.00 0.00 H ATOM 216 HD21 LEU A 10 8.308 3.019 -5.685 1.00 0.00 H ATOM 217 HD22 LEU A 10 8.733 4.553 -6.449 1.00 0.00 H ATOM 218 HD23 LEU A 10 9.948 3.652 -5.537 1.00 0.00 H ATOM 219 N GLN A 11 10.808 5.389 -11.006 1.00 0.00 N ATOM 220 CA GLN A 11 11.734 6.115 -11.881 1.00 0.00 C ATOM 221 C GLN A 11 11.259 7.545 -12.104 1.00 0.00 C ATOM 222 O GLN A 11 12.072 8.469 -12.207 1.00 0.00 O ATOM 223 CB GLN A 11 11.841 5.376 -13.208 1.00 0.00 C ATOM 224 CG GLN A 11 12.883 5.909 -14.178 1.00 0.00 C ATOM 225 CD GLN A 11 12.864 5.137 -15.485 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.709 5.338 -16.359 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.884 4.250 -15.621 1.00 0.00 N ATOM 228 H GLN A 11 10.379 4.574 -11.348 1.00 0.00 H ATOM 229 HA GLN A 11 12.705 6.134 -11.407 1.00 0.00 H ATOM 230 HB2 GLN A 11 12.074 4.341 -13.007 1.00 0.00 H ATOM 231 HB3 GLN A 11 10.878 5.425 -13.696 1.00 0.00 H ATOM 232 HG2 GLN A 11 12.668 6.943 -14.389 1.00 0.00 H ATOM 233 HG3 GLN A 11 13.865 5.822 -13.731 1.00 0.00 H ATOM 234 HE21 GLN A 11 11.252 4.151 -14.881 1.00 0.00 H ATOM 235 HE22 GLN A 11 11.812 3.747 -16.460 1.00 0.00 H ATOM 236 N HIS A 12 9.944 7.744 -12.120 1.00 0.00 N ATOM 237 CA HIS A 12 9.389 9.067 -12.270 1.00 0.00 C ATOM 238 C HIS A 12 9.388 9.757 -10.931 1.00 0.00 C ATOM 239 O HIS A 12 8.445 10.446 -10.555 1.00 0.00 O ATOM 240 CB HIS A 12 7.998 9.023 -12.895 1.00 0.00 C ATOM 241 CG HIS A 12 8.048 8.941 -14.388 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.658 9.895 -15.173 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.583 8.002 -15.245 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.569 9.542 -16.438 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.920 8.399 -16.506 1.00 0.00 N ATOM 246 H HIS A 12 9.338 6.995 -11.991 1.00 0.00 H ATOM 247 HA HIS A 12 10.041 9.625 -12.919 1.00 0.00 H ATOM 248 HB2 HIS A 12 7.471 8.158 -12.529 1.00 0.00 H ATOM 249 HB3 HIS A 12 7.455 9.918 -12.623 1.00 0.00 H ATOM 250 HD1 HIS A 12 9.082 10.727 -14.849 1.00 0.00 H ATOM 251 HD2 HIS A 12 7.030 7.112 -14.985 1.00 0.00 H ATOM 252 HE1 HIS A 12 8.958 10.097 -17.276 1.00 0.00 H ATOM 253 HE2 HIS A 12 7.892 7.817 -17.300 1.00 0.00 H ATOM 254 N ARG A 13 10.515 9.595 -10.244 1.00 0.00 N ATOM 255 CA ARG A 13 10.758 10.219 -8.955 1.00 0.00 C ATOM 256 C ARG A 13 10.792 11.727 -9.142 1.00 0.00 C ATOM 257 O ARG A 13 10.832 12.494 -8.183 1.00 0.00 O ATOM 258 CB ARG A 13 12.061 9.700 -8.320 1.00 0.00 C ATOM 259 CG ARG A 13 13.192 9.417 -9.308 1.00 0.00 C ATOM 260 CD ARG A 13 13.708 10.678 -9.971 1.00 0.00 C ATOM 261 NE ARG A 13 14.896 10.423 -10.785 1.00 0.00 N ATOM 262 CZ ARG A 13 15.629 11.372 -11.350 1.00 0.00 C ATOM 263 NH1 ARG A 13 15.328 12.647 -11.172 1.00 0.00 N ATOM 264 NH2 ARG A 13 16.665 11.046 -12.093 1.00 0.00 N ATOM 265 H ARG A 13 11.221 9.049 -10.650 1.00 0.00 H ATOM 266 HA ARG A 13 9.927 9.972 -8.311 1.00 0.00 H ATOM 267 HB2 ARG A 13 12.411 10.434 -7.611 1.00 0.00 H ATOM 268 HB3 ARG A 13 11.840 8.784 -7.788 1.00 0.00 H ATOM 269 HG2 ARG A 13 14.009 8.942 -8.782 1.00 0.00 H ATOM 270 HG3 ARG A 13 12.826 8.747 -10.075 1.00 0.00 H ATOM 271 HD2 ARG A 13 12.929 11.071 -10.609 1.00 0.00 H ATOM 272 HD3 ARG A 13 13.947 11.403 -9.207 1.00 0.00 H ATOM 273 HE ARG A 13 15.156 9.486 -10.925 1.00 0.00 H ATOM 274 HH11 ARG A 13 14.548 12.913 -10.590 1.00 0.00 H ATOM 275 HH12 ARG A 13 15.887 13.365 -11.618 1.00 0.00 H ATOM 276 HH21 ARG A 13 16.905 10.079 -12.221 1.00 0.00 H ATOM 277 HH22 ARG A 13 17.222 11.763 -12.530 1.00 0.00 H ATOM 278 N GLU A 14 10.713 12.125 -10.409 1.00 0.00 N ATOM 279 CA GLU A 14 10.656 13.514 -10.792 1.00 0.00 C ATOM 280 C GLU A 14 9.394 14.090 -10.183 1.00 0.00 C ATOM 281 O GLU A 14 9.349 15.248 -9.783 1.00 0.00 O ATOM 282 CB GLU A 14 10.592 13.634 -12.318 1.00 0.00 C ATOM 283 CG GLU A 14 11.693 12.878 -13.048 1.00 0.00 C ATOM 284 CD GLU A 14 11.243 12.334 -14.393 1.00 0.00 C ATOM 285 OE1 GLU A 14 10.018 12.264 -14.639 1.00 0.00 O ATOM 286 OE2 GLU A 14 12.112 11.944 -15.196 1.00 0.00 O ATOM 287 H GLU A 14 10.637 11.444 -11.108 1.00 0.00 H ATOM 288 HA GLU A 14 11.523 14.023 -10.408 1.00 0.00 H ATOM 289 HB2 GLU A 14 9.641 13.249 -12.656 1.00 0.00 H ATOM 290 HB3 GLU A 14 10.664 14.676 -12.587 1.00 0.00 H ATOM 291 HG2 GLU A 14 12.525 13.547 -13.209 1.00 0.00 H ATOM 292 HG3 GLU A 14 12.012 12.050 -12.431 1.00 0.00 H ATOM 293 N ALA A 15 8.373 13.234 -10.098 1.00 0.00 N ATOM 294 CA ALA A 15 7.104 13.629 -9.523 1.00 0.00 C ATOM 295 C ALA A 15 6.644 12.647 -8.447 1.00 0.00 C ATOM 296 O ALA A 15 5.636 12.883 -7.796 1.00 0.00 O ATOM 297 CB ALA A 15 6.054 13.771 -10.610 1.00 0.00 C ATOM 298 H ALA A 15 8.486 12.302 -10.432 1.00 0.00 H ATOM 299 HA ALA A 15 7.239 14.598 -9.065 1.00 0.00 H ATOM 300 HB1 ALA A 15 5.724 12.795 -10.925 1.00 0.00 H ATOM 301 HB2 ALA A 15 6.475 14.297 -11.452 1.00 0.00 H ATOM 302 HB3 ALA A 15 5.214 14.327 -10.228 1.00 0.00 H ATOM 303 N LEU A 16 7.389 11.550 -8.264 1.00 0.00 N ATOM 304 CA LEU A 16 7.054 10.528 -7.248 1.00 0.00 C ATOM 305 C LEU A 16 6.780 11.166 -5.880 1.00 0.00 C ATOM 306 O LEU A 16 5.634 11.349 -5.491 1.00 0.00 O ATOM 307 CB LEU A 16 8.201 9.520 -7.120 1.00 0.00 C ATOM 308 CG LEU A 16 7.934 8.333 -6.189 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.926 7.037 -6.973 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.964 8.272 -5.076 1.00 0.00 C ATOM 311 H LEU A 16 8.187 11.415 -8.832 1.00 0.00 H ATOM 312 HA LEU A 16 6.168 10.001 -7.569 1.00 0.00 H ATOM 313 HB2 LEU A 16 8.421 9.137 -8.105 1.00 0.00 H ATOM 314 HB3 LEU A 16 9.071 10.044 -6.754 1.00 0.00 H ATOM 315 HG LEU A 16 6.956 8.453 -5.736 1.00 0.00 H ATOM 316 HD11 LEU A 16 8.773 7.015 -7.639 1.00 0.00 H ATOM 317 HD12 LEU A 16 7.017 6.965 -7.547 1.00 0.00 H ATOM 318 HD13 LEU A 16 7.985 6.202 -6.289 1.00 0.00 H ATOM 319 HD21 LEU A 16 9.692 7.513 -5.307 1.00 0.00 H ATOM 320 HD22 LEU A 16 8.474 8.028 -4.143 1.00 0.00 H ATOM 321 HD23 LEU A 16 9.452 9.231 -4.989 1.00 0.00 H ATOM 322 N GLU A 17 7.839 11.496 -5.161 1.00 0.00 N ATOM 323 CA GLU A 17 7.724 12.109 -3.838 1.00 0.00 C ATOM 324 C GLU A 17 6.883 13.395 -3.869 1.00 0.00 C ATOM 325 O GLU A 17 6.265 13.773 -2.870 1.00 0.00 O ATOM 326 CB GLU A 17 9.127 12.420 -3.313 1.00 0.00 C ATOM 327 CG GLU A 17 9.157 13.216 -2.024 1.00 0.00 C ATOM 328 CD GLU A 17 10.508 13.851 -1.779 1.00 0.00 C ATOM 329 OE1 GLU A 17 11.441 13.604 -2.571 1.00 0.00 O ATOM 330 OE2 GLU A 17 10.644 14.612 -0.803 1.00 0.00 O ATOM 331 H GLU A 17 8.734 11.314 -5.524 1.00 0.00 H ATOM 332 HA GLU A 17 7.251 11.398 -3.177 1.00 0.00 H ATOM 333 HB2 GLU A 17 9.645 11.489 -3.137 1.00 0.00 H ATOM 334 HB3 GLU A 17 9.663 12.980 -4.065 1.00 0.00 H ATOM 335 HG2 GLU A 17 8.410 13.995 -2.077 1.00 0.00 H ATOM 336 HG3 GLU A 17 8.932 12.554 -1.201 1.00 0.00 H ATOM 337 N LYS A 18 6.896 14.076 -5.006 1.00 0.00 N ATOM 338 CA LYS A 18 6.179 15.335 -5.160 1.00 0.00 C ATOM 339 C LYS A 18 4.653 15.178 -5.246 1.00 0.00 C ATOM 340 O LYS A 18 3.922 16.007 -4.702 1.00 0.00 O ATOM 341 CB LYS A 18 6.699 16.082 -6.391 1.00 0.00 C ATOM 342 CG LYS A 18 6.120 17.482 -6.562 1.00 0.00 C ATOM 343 CD LYS A 18 6.735 18.507 -5.609 1.00 0.00 C ATOM 344 CE LYS A 18 5.991 18.593 -4.277 1.00 0.00 C ATOM 345 NZ LYS A 18 6.591 17.725 -3.228 1.00 0.00 N ATOM 346 H LYS A 18 7.433 13.735 -5.758 1.00 0.00 H ATOM 347 HA LYS A 18 6.400 15.935 -4.291 1.00 0.00 H ATOM 348 HB2 LYS A 18 7.773 16.167 -6.316 1.00 0.00 H ATOM 349 HB3 LYS A 18 6.458 15.508 -7.273 1.00 0.00 H ATOM 350 HG2 LYS A 18 6.293 17.807 -7.579 1.00 0.00 H ATOM 351 HG3 LYS A 18 5.057 17.435 -6.378 1.00 0.00 H ATOM 352 HD2 LYS A 18 7.763 18.234 -5.418 1.00 0.00 H ATOM 353 HD3 LYS A 18 6.707 19.476 -6.084 1.00 0.00 H ATOM 354 HE2 LYS A 18 6.014 19.617 -3.933 1.00 0.00 H ATOM 355 HE3 LYS A 18 4.965 18.293 -4.438 1.00 0.00 H ATOM 356 HZ1 LYS A 18 5.898 17.011 -2.909 1.00 0.00 H ATOM 357 HZ2 LYS A 18 6.872 18.301 -2.401 1.00 0.00 H ATOM 358 HZ3 LYS A 18 7.440 17.235 -3.599 1.00 0.00 H ATOM 359 N ASP A 19 4.156 14.171 -5.950 1.00 0.00 N ATOM 360 CA ASP A 19 2.708 14.035 -6.094 1.00 0.00 C ATOM 361 C ASP A 19 2.144 12.732 -5.526 1.00 0.00 C ATOM 362 O ASP A 19 0.935 12.624 -5.329 1.00 0.00 O ATOM 363 CB ASP A 19 2.310 14.194 -7.557 1.00 0.00 C ATOM 364 CG ASP A 19 0.863 14.608 -7.701 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.443 15.555 -7.001 1.00 0.00 O ATOM 366 OD2 ASP A 19 0.147 14.015 -8.532 1.00 0.00 O ATOM 367 H ASP A 19 4.758 13.541 -6.408 1.00 0.00 H ATOM 368 HA ASP A 19 2.263 14.848 -5.540 1.00 0.00 H ATOM 369 HB2 ASP A 19 2.932 14.951 -8.014 1.00 0.00 H ATOM 370 HB3 ASP A 19 2.452 13.255 -8.072 1.00 0.00 H ATOM 371 N ILE A 20 2.989 11.752 -5.243 1.00 0.00 N ATOM 372 CA ILE A 20 2.497 10.501 -4.673 1.00 0.00 C ATOM 373 C ILE A 20 2.039 10.732 -3.232 1.00 0.00 C ATOM 374 O ILE A 20 2.855 10.887 -2.318 1.00 0.00 O ATOM 375 CB ILE A 20 3.555 9.369 -4.711 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.856 8.930 -6.143 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.109 8.159 -3.911 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.690 7.669 -6.193 1.00 0.00 C ATOM 379 H ILE A 20 3.951 11.871 -5.399 1.00 0.00 H ATOM 380 HA ILE A 20 1.646 10.185 -5.260 1.00 0.00 H ATOM 381 HB ILE A 20 4.459 9.750 -4.266 1.00 0.00 H ATOM 382 HG12 ILE A 20 2.926 8.741 -6.663 1.00 0.00 H ATOM 383 HG13 ILE A 20 4.398 9.710 -6.650 1.00 0.00 H ATOM 384 HG21 ILE A 20 2.066 8.252 -3.663 1.00 0.00 H ATOM 385 HG22 ILE A 20 3.700 8.093 -3.007 1.00 0.00 H ATOM 386 HG23 ILE A 20 3.266 7.268 -4.509 1.00 0.00 H ATOM 387 HD11 ILE A 20 4.894 7.408 -7.216 1.00 0.00 H ATOM 388 HD12 ILE A 20 4.152 6.865 -5.714 1.00 0.00 H ATOM 389 HD13 ILE A 20 5.622 7.828 -5.668 1.00 0.00 H ATOM 390 N LYS A 21 0.728 10.776 -3.034 1.00 0.00 N ATOM 391 CA LYS A 21 0.177 10.995 -1.705 1.00 0.00 C ATOM 392 C LYS A 21 -0.103 9.672 -1.015 1.00 0.00 C ATOM 393 O LYS A 21 -0.042 8.612 -1.631 1.00 0.00 O ATOM 394 CB LYS A 21 -1.088 11.851 -1.750 1.00 0.00 C ATOM 395 CG LYS A 21 -0.810 13.340 -1.611 1.00 0.00 C ATOM 396 CD LYS A 21 -0.399 13.964 -2.931 1.00 0.00 C ATOM 397 CE LYS A 21 -0.296 15.478 -2.836 1.00 0.00 C ATOM 398 NZ LYS A 21 0.012 16.099 -4.155 1.00 0.00 N ATOM 399 H LYS A 21 0.127 10.660 -3.795 1.00 0.00 H ATOM 400 HA LYS A 21 0.928 11.523 -1.134 1.00 0.00 H ATOM 401 HB2 LYS A 21 -1.583 11.688 -2.696 1.00 0.00 H ATOM 402 HB3 LYS A 21 -1.750 11.551 -0.951 1.00 0.00 H ATOM 403 HG2 LYS A 21 -1.702 13.820 -1.254 1.00 0.00 H ATOM 404 HG3 LYS A 21 -0.013 13.481 -0.894 1.00 0.00 H ATOM 405 HD2 LYS A 21 0.562 13.567 -3.222 1.00 0.00 H ATOM 406 HD3 LYS A 21 -1.138 13.711 -3.679 1.00 0.00 H ATOM 407 HE2 LYS A 21 -1.239 15.865 -2.476 1.00 0.00 H ATOM 408 HE3 LYS A 21 0.486 15.730 -2.133 1.00 0.00 H ATOM 409 HZ1 LYS A 21 -0.820 16.625 -4.508 1.00 0.00 H ATOM 410 HZ2 LYS A 21 0.262 15.372 -4.853 1.00 0.00 H ATOM 411 HZ3 LYS A 21 0.810 16.768 -4.061 1.00 0.00 H ATOM 412 N THR A 22 -0.347 9.738 0.279 1.00 0.00 N ATOM 413 CA THR A 22 -0.580 8.549 1.066 1.00 0.00 C ATOM 414 C THR A 22 -1.916 8.566 1.808 1.00 0.00 C ATOM 415 O THR A 22 -2.327 7.554 2.358 1.00 0.00 O ATOM 416 CB THR A 22 0.568 8.387 2.074 1.00 0.00 C ATOM 417 OG1 THR A 22 0.527 7.094 2.677 1.00 0.00 O ATOM 418 CG2 THR A 22 0.492 9.449 3.155 1.00 0.00 C ATOM 419 H THR A 22 -0.358 10.616 0.721 1.00 0.00 H ATOM 420 HA THR A 22 -0.563 7.701 0.405 1.00 0.00 H ATOM 421 HB THR A 22 1.497 8.518 1.543 1.00 0.00 H ATOM 422 HG1 THR A 22 -0.385 6.783 2.715 1.00 0.00 H ATOM 423 HG21 THR A 22 -0.406 9.302 3.739 1.00 0.00 H ATOM 424 HG22 THR A 22 0.471 10.422 2.695 1.00 0.00 H ATOM 425 HG23 THR A 22 1.359 9.371 3.799 1.00 0.00 H ATOM 426 N SER A 23 -2.568 9.720 1.857 1.00 0.00 N ATOM 427 CA SER A 23 -3.832 9.849 2.579 1.00 0.00 C ATOM 428 C SER A 23 -4.961 9.005 1.967 1.00 0.00 C ATOM 429 O SER A 23 -5.137 7.833 2.315 1.00 0.00 O ATOM 430 CB SER A 23 -4.247 11.318 2.635 1.00 0.00 C ATOM 431 OG SER A 23 -3.258 12.109 3.289 1.00 0.00 O ATOM 432 H SER A 23 -2.176 10.514 1.432 1.00 0.00 H ATOM 433 HA SER A 23 -3.662 9.505 3.584 1.00 0.00 H ATOM 434 HB2 SER A 23 -4.381 11.690 1.630 1.00 0.00 H ATOM 435 HB3 SER A 23 -5.179 11.405 3.176 1.00 0.00 H ATOM 436 HG SER A 23 -3.592 12.375 4.161 1.00 0.00 H ATOM 437 N TYR A 24 -5.732 9.606 1.076 1.00 0.00 N ATOM 438 CA TYR A 24 -6.859 8.931 0.435 1.00 0.00 C ATOM 439 C TYR A 24 -6.413 7.807 -0.485 1.00 0.00 C ATOM 440 O TYR A 24 -7.140 6.838 -0.687 1.00 0.00 O ATOM 441 CB TYR A 24 -7.671 9.948 -0.345 1.00 0.00 C ATOM 442 CG TYR A 24 -8.726 10.668 0.473 1.00 0.00 C ATOM 443 CD1 TYR A 24 -8.385 11.319 1.653 1.00 0.00 C ATOM 444 CD2 TYR A 24 -10.054 10.696 0.067 1.00 0.00 C ATOM 445 CE1 TYR A 24 -9.334 11.979 2.403 1.00 0.00 C ATOM 446 CE2 TYR A 24 -11.011 11.360 0.812 1.00 0.00 C ATOM 447 CZ TYR A 24 -10.646 11.998 1.979 1.00 0.00 C ATOM 448 OH TYR A 24 -11.593 12.666 2.723 1.00 0.00 O ATOM 449 H TYR A 24 -5.550 10.549 0.845 1.00 0.00 H ATOM 450 HA TYR A 24 -7.482 8.518 1.216 1.00 0.00 H ATOM 451 HB2 TYR A 24 -6.986 10.687 -0.717 1.00 0.00 H ATOM 452 HB3 TYR A 24 -8.147 9.466 -1.192 1.00 0.00 H ATOM 453 HD1 TYR A 24 -10.335 10.194 -0.849 1.00 0.00 H ATOM 454 HD2 TYR A 24 -7.351 11.304 1.981 1.00 0.00 H ATOM 455 HE1 TYR A 24 -12.037 11.375 0.480 1.00 0.00 H ATOM 456 HE2 TYR A 24 -9.047 12.480 3.311 1.00 0.00 H ATOM 457 HH TYR A 24 -11.881 12.099 3.449 1.00 0.00 H ATOM 458 N ILE A 25 -5.222 7.932 -1.045 1.00 0.00 N ATOM 459 CA ILE A 25 -4.697 6.904 -1.936 1.00 0.00 C ATOM 460 C ILE A 25 -4.603 5.573 -1.200 1.00 0.00 C ATOM 461 O ILE A 25 -4.993 4.534 -1.729 1.00 0.00 O ATOM 462 CB ILE A 25 -3.325 7.306 -2.506 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.490 8.552 -3.381 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.698 6.161 -3.296 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.202 9.045 -3.990 1.00 0.00 C ATOM 466 H ILE A 25 -4.682 8.727 -0.853 1.00 0.00 H ATOM 467 HA ILE A 25 -5.388 6.797 -2.763 1.00 0.00 H ATOM 468 HB ILE A 25 -2.676 7.542 -1.680 1.00 0.00 H ATOM 469 HG12 ILE A 25 -4.171 8.327 -4.187 1.00 0.00 H ATOM 470 HG13 ILE A 25 -3.902 9.352 -2.782 1.00 0.00 H ATOM 471 HG21 ILE A 25 -1.764 5.876 -2.836 1.00 0.00 H ATOM 472 HG22 ILE A 25 -2.516 6.485 -4.313 1.00 0.00 H ATOM 473 HG23 ILE A 25 -3.370 5.315 -3.303 1.00 0.00 H ATOM 474 HD11 ILE A 25 -2.165 10.128 -3.925 1.00 0.00 H ATOM 475 HD12 ILE A 25 -2.165 8.743 -5.027 1.00 0.00 H ATOM 476 HD13 ILE A 25 -1.364 8.620 -3.455 1.00 0.00 H ATOM 477 N MET A 26 -4.131 5.619 0.038 1.00 0.00 N ATOM 478 CA MET A 26 -4.034 4.425 0.852 1.00 0.00 C ATOM 479 C MET A 26 -5.422 4.014 1.327 1.00 0.00 C ATOM 480 O MET A 26 -5.681 2.835 1.521 1.00 0.00 O ATOM 481 CB MET A 26 -3.123 4.661 2.062 1.00 0.00 C ATOM 482 CG MET A 26 -3.056 3.470 3.002 1.00 0.00 C ATOM 483 SD MET A 26 -2.042 3.761 4.462 1.00 0.00 S ATOM 484 CE MET A 26 -2.943 5.092 5.250 1.00 0.00 C ATOM 485 H MET A 26 -3.867 6.478 0.421 1.00 0.00 H ATOM 486 HA MET A 26 -3.624 3.628 0.245 1.00 0.00 H ATOM 487 HB2 MET A 26 -2.123 4.878 1.716 1.00 0.00 H ATOM 488 HB3 MET A 26 -3.497 5.510 2.620 1.00 0.00 H ATOM 489 HG2 MET A 26 -4.059 3.241 3.325 1.00 0.00 H ATOM 490 HG3 MET A 26 -2.655 2.623 2.461 1.00 0.00 H ATOM 491 HE1 MET A 26 -2.777 6.010 4.706 1.00 0.00 H ATOM 492 HE2 MET A 26 -2.593 5.210 6.263 1.00 0.00 H ATOM 493 HE3 MET A 26 -3.999 4.861 5.260 1.00 0.00 H ATOM 494 N ASP A 27 -6.323 4.983 1.497 1.00 0.00 N ATOM 495 CA ASP A 27 -7.673 4.664 1.946 1.00 0.00 C ATOM 496 C ASP A 27 -8.364 3.781 0.931 1.00 0.00 C ATOM 497 O ASP A 27 -9.034 2.812 1.280 1.00 0.00 O ATOM 498 CB ASP A 27 -8.492 5.936 2.165 1.00 0.00 C ATOM 499 CG ASP A 27 -9.897 5.635 2.662 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.035 5.147 3.802 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.870 5.902 1.922 1.00 0.00 O ATOM 502 H ASP A 27 -6.082 5.926 1.298 1.00 0.00 H ATOM 503 HA ASP A 27 -7.598 4.120 2.879 1.00 0.00 H ATOM 504 HB2 ASP A 27 -7.994 6.561 2.894 1.00 0.00 H ATOM 505 HB3 ASP A 27 -8.569 6.475 1.233 1.00 0.00 H ATOM 506 N HIS A 28 -8.170 4.122 -0.327 1.00 0.00 N ATOM 507 CA HIS A 28 -8.749 3.376 -1.425 1.00 0.00 C ATOM 508 C HIS A 28 -8.070 2.019 -1.596 1.00 0.00 C ATOM 509 O HIS A 28 -8.680 1.077 -2.089 1.00 0.00 O ATOM 510 CB HIS A 28 -8.646 4.194 -2.709 1.00 0.00 C ATOM 511 CG HIS A 28 -9.592 5.357 -2.740 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.957 5.213 -2.842 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.370 6.694 -2.655 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.527 6.400 -2.817 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.588 7.310 -2.707 1.00 0.00 N ATOM 516 H HIS A 28 -7.608 4.903 -0.523 1.00 0.00 H ATOM 517 HA HIS A 28 -9.794 3.215 -1.198 1.00 0.00 H ATOM 518 HB2 HIS A 28 -7.641 4.576 -2.806 1.00 0.00 H ATOM 519 HB3 HIS A 28 -8.860 3.558 -3.553 1.00 0.00 H ATOM 520 HD1 HIS A 28 -11.443 4.353 -2.926 1.00 0.00 H ATOM 521 HD2 HIS A 28 -8.412 7.179 -2.569 1.00 0.00 H ATOM 522 HE1 HIS A 28 -12.581 6.594 -2.879 1.00 0.00 H ATOM 523 HE2 HIS A 28 -10.740 8.293 -2.729 1.00 0.00 H ATOM 524 N MET A 29 -6.810 1.918 -1.177 1.00 0.00 N ATOM 525 CA MET A 29 -6.067 0.658 -1.288 1.00 0.00 C ATOM 526 C MET A 29 -6.450 -0.322 -0.180 1.00 0.00 C ATOM 527 O MET A 29 -6.476 -1.534 -0.395 1.00 0.00 O ATOM 528 CB MET A 29 -4.556 0.896 -1.254 1.00 0.00 C ATOM 529 CG MET A 29 -3.994 1.476 -2.539 1.00 0.00 C ATOM 530 SD MET A 29 -2.218 1.202 -2.703 1.00 0.00 S ATOM 531 CE MET A 29 -2.176 -0.533 -3.164 1.00 0.00 C ATOM 532 H MET A 29 -6.373 2.701 -0.783 1.00 0.00 H ATOM 533 HA MET A 29 -6.325 0.213 -2.239 1.00 0.00 H ATOM 534 HB2 MET A 29 -4.329 1.581 -0.450 1.00 0.00 H ATOM 535 HB3 MET A 29 -4.060 -0.038 -1.059 1.00 0.00 H ATOM 536 HG2 MET A 29 -4.495 1.015 -3.377 1.00 0.00 H ATOM 537 HG3 MET A 29 -4.186 2.540 -2.550 1.00 0.00 H ATOM 538 HE1 MET A 29 -1.607 -1.091 -2.429 1.00 0.00 H ATOM 539 HE2 MET A 29 -1.708 -0.641 -4.133 1.00 0.00 H ATOM 540 HE3 MET A 29 -3.185 -0.916 -3.208 1.00 0.00 H ATOM 541 N ILE A 30 -6.754 0.200 1.001 1.00 0.00 N ATOM 542 CA ILE A 30 -7.143 -0.645 2.126 1.00 0.00 C ATOM 543 C ILE A 30 -8.586 -1.094 1.943 1.00 0.00 C ATOM 544 O ILE A 30 -8.919 -2.246 2.205 1.00 0.00 O ATOM 545 CB ILE A 30 -7.006 0.089 3.475 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.665 0.806 3.563 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.142 -0.879 4.639 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.477 1.578 4.856 1.00 0.00 C ATOM 549 H ILE A 30 -6.723 1.172 1.121 1.00 0.00 H ATOM 550 HA ILE A 30 -6.500 -1.513 2.133 1.00 0.00 H ATOM 551 HB ILE A 30 -7.800 0.807 3.537 1.00 0.00 H ATOM 552 HG12 ILE A 30 -4.872 0.079 3.491 1.00 0.00 H ATOM 553 HG13 ILE A 30 -5.587 1.506 2.742 1.00 0.00 H ATOM 554 HG21 ILE A 30 -6.330 -0.712 5.339 1.00 0.00 H ATOM 555 HG22 ILE A 30 -7.100 -1.893 4.273 1.00 0.00 H ATOM 556 HG23 ILE A 30 -8.082 -0.710 5.139 1.00 0.00 H ATOM 557 HD11 ILE A 30 -4.569 1.252 5.341 1.00 0.00 H ATOM 558 HD12 ILE A 30 -6.318 1.393 5.508 1.00 0.00 H ATOM 559 HD13 ILE A 30 -5.412 2.634 4.645 1.00 0.00 H ATOM 560 N SER A 31 -9.428 -0.183 1.450 1.00 0.00 N ATOM 561 CA SER A 31 -10.822 -0.504 1.190 1.00 0.00 C ATOM 562 C SER A 31 -10.883 -1.473 0.020 1.00 0.00 C ATOM 563 O SER A 31 -11.809 -2.279 -0.101 1.00 0.00 O ATOM 564 CB SER A 31 -11.632 0.760 0.875 1.00 0.00 C ATOM 565 OG SER A 31 -11.068 1.472 -0.214 1.00 0.00 O ATOM 566 H SER A 31 -9.098 0.714 1.234 1.00 0.00 H ATOM 567 HA SER A 31 -11.230 -0.983 2.069 1.00 0.00 H ATOM 568 HB2 SER A 31 -12.641 0.480 0.621 1.00 0.00 H ATOM 569 HB3 SER A 31 -11.648 1.403 1.743 1.00 0.00 H ATOM 570 HG SER A 31 -11.386 1.088 -1.050 1.00 0.00 H ATOM 571 N ASP A 32 -9.859 -1.397 -0.831 1.00 0.00 N ATOM 572 CA ASP A 32 -9.750 -2.275 -1.980 1.00 0.00 C ATOM 573 C ASP A 32 -9.416 -3.672 -1.481 1.00 0.00 C ATOM 574 O ASP A 32 -9.735 -4.667 -2.130 1.00 0.00 O ATOM 575 CB ASP A 32 -8.673 -1.775 -2.947 1.00 0.00 C ATOM 576 CG ASP A 32 -8.899 -2.246 -4.369 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.005 -2.023 -4.906 1.00 0.00 O ATOM 578 OD2 ASP A 32 -7.968 -2.824 -4.964 1.00 0.00 O ATOM 579 H ASP A 32 -9.151 -0.737 -0.668 1.00 0.00 H ATOM 580 HA ASP A 32 -10.705 -2.294 -2.484 1.00 0.00 H ATOM 581 HB2 ASP A 32 -8.666 -0.693 -2.944 1.00 0.00 H ATOM 582 HB3 ASP A 32 -7.709 -2.136 -2.615 1.00 0.00 H ATOM 583 N GLY A 33 -8.801 -3.734 -0.294 1.00 0.00 N ATOM 584 CA GLY A 33 -8.470 -5.012 0.303 1.00 0.00 C ATOM 585 C GLY A 33 -7.062 -5.465 0.005 1.00 0.00 C ATOM 586 O GLY A 33 -6.662 -6.560 0.402 1.00 0.00 O ATOM 587 H GLY A 33 -8.592 -2.895 0.199 1.00 0.00 H ATOM 588 HA2 GLY A 33 -8.588 -4.933 1.373 1.00 0.00 H ATOM 589 HA3 GLY A 33 -9.162 -5.756 -0.068 1.00 0.00 H ATOM 590 N PHE A 34 -6.300 -4.636 -0.692 1.00 0.00 N ATOM 591 CA PHE A 34 -4.931 -4.989 -1.032 1.00 0.00 C ATOM 592 C PHE A 34 -3.991 -4.615 0.102 1.00 0.00 C ATOM 593 O PHE A 34 -3.002 -5.302 0.365 1.00 0.00 O ATOM 594 CB PHE A 34 -4.509 -4.329 -2.342 1.00 0.00 C ATOM 595 CG PHE A 34 -5.146 -4.949 -3.552 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.504 -5.215 -3.584 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.382 -5.270 -4.656 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.088 -5.789 -4.692 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.962 -5.847 -5.769 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.320 -6.106 -5.789 1.00 0.00 C ATOM 601 H PHE A 34 -6.667 -3.775 -0.988 1.00 0.00 H ATOM 602 HA PHE A 34 -4.903 -6.058 -1.156 1.00 0.00 H ATOM 603 HB2 PHE A 34 -4.786 -3.289 -2.319 1.00 0.00 H ATOM 604 HB3 PHE A 34 -3.438 -4.411 -2.453 1.00 0.00 H ATOM 605 HD1 PHE A 34 -3.320 -5.065 -4.647 1.00 0.00 H ATOM 606 HD2 PHE A 34 -7.110 -4.965 -2.729 1.00 0.00 H ATOM 607 HE1 PHE A 34 -4.353 -6.091 -6.629 1.00 0.00 H ATOM 608 HE2 PHE A 34 -8.147 -5.985 -4.697 1.00 0.00 H ATOM 609 HZ PHE A 34 -6.780 -6.561 -6.657 1.00 0.00 H ATOM 610 N LEU A 35 -4.327 -3.550 0.804 1.00 0.00 N ATOM 611 CA LEU A 35 -3.540 -3.129 1.943 1.00 0.00 C ATOM 612 C LEU A 35 -4.208 -3.647 3.205 1.00 0.00 C ATOM 613 O LEU A 35 -5.349 -3.299 3.500 1.00 0.00 O ATOM 614 CB LEU A 35 -3.380 -1.608 1.979 1.00 0.00 C ATOM 615 CG LEU A 35 -1.996 -1.101 1.578 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.644 -1.523 0.162 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.927 0.405 1.716 1.00 0.00 C ATOM 618 H LEU A 35 -5.147 -3.059 0.574 1.00 0.00 H ATOM 619 HA LEU A 35 -2.562 -3.587 1.857 1.00 0.00 H ATOM 620 HB2 LEU A 35 -4.110 -1.170 1.313 1.00 0.00 H ATOM 621 HB3 LEU A 35 -3.582 -1.267 2.983 1.00 0.00 H ATOM 622 HG LEU A 35 -1.260 -1.530 2.242 1.00 0.00 H ATOM 623 HD11 LEU A 35 -2.433 -1.227 -0.508 1.00 0.00 H ATOM 624 HD12 LEU A 35 -1.519 -2.590 0.126 1.00 0.00 H ATOM 625 HD13 LEU A 35 -0.722 -1.046 -0.136 1.00 0.00 H ATOM 626 HD21 LEU A 35 -1.640 0.660 2.727 1.00 0.00 H ATOM 627 HD22 LEU A 35 -2.892 0.830 1.495 1.00 0.00 H ATOM 628 HD23 LEU A 35 -1.192 0.795 1.025 1.00 0.00 H ATOM 629 N THR A 36 -3.513 -4.522 3.912 1.00 0.00 N ATOM 630 CA THR A 36 -4.045 -5.127 5.120 1.00 0.00 C ATOM 631 C THR A 36 -3.905 -4.179 6.302 1.00 0.00 C ATOM 632 O THR A 36 -3.332 -3.099 6.166 1.00 0.00 O ATOM 633 CB THR A 36 -3.297 -6.438 5.423 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.511 -6.815 4.282 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.284 -7.545 5.749 1.00 0.00 C ATOM 636 H THR A 36 -2.619 -4.786 3.607 1.00 0.00 H ATOM 637 HA THR A 36 -5.089 -5.354 4.962 1.00 0.00 H ATOM 638 HB THR A 36 -2.655 -6.281 6.278 1.00 0.00 H ATOM 639 HG1 THR A 36 -1.590 -6.509 4.397 1.00 0.00 H ATOM 640 HG21 THR A 36 -4.958 -7.207 6.518 1.00 0.00 H ATOM 641 HG22 THR A 36 -3.750 -8.414 6.093 1.00 0.00 H ATOM 642 HG23 THR A 36 -4.848 -7.796 4.865 1.00 0.00 H ATOM 643 N ILE A 37 -4.407 -4.589 7.462 1.00 0.00 N ATOM 644 CA ILE A 37 -4.314 -3.775 8.670 1.00 0.00 C ATOM 645 C ILE A 37 -2.845 -3.547 9.015 1.00 0.00 C ATOM 646 O ILE A 37 -2.460 -2.474 9.475 1.00 0.00 O ATOM 647 CB ILE A 37 -5.038 -4.445 9.860 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.489 -4.761 9.488 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.987 -3.557 11.091 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.257 -5.489 10.572 1.00 0.00 C ATOM 651 H ILE A 37 -4.842 -5.466 7.514 1.00 0.00 H ATOM 652 HA ILE A 37 -4.785 -2.820 8.469 1.00 0.00 H ATOM 653 HB ILE A 37 -4.525 -5.363 10.085 1.00 0.00 H ATOM 654 HG12 ILE A 37 -7.006 -3.837 9.280 1.00 0.00 H ATOM 655 HG13 ILE A 37 -6.498 -5.380 8.603 1.00 0.00 H ATOM 656 HG21 ILE A 37 -4.516 -4.091 11.899 1.00 0.00 H ATOM 657 HG22 ILE A 37 -5.992 -3.284 11.377 1.00 0.00 H ATOM 658 HG23 ILE A 37 -4.419 -2.660 10.867 1.00 0.00 H ATOM 659 HD11 ILE A 37 -8.312 -5.439 10.359 1.00 0.00 H ATOM 660 HD12 ILE A 37 -7.059 -5.026 11.529 1.00 0.00 H ATOM 661 HD13 ILE A 37 -6.947 -6.521 10.607 1.00 0.00 H ATOM 662 N SER A 38 -2.019 -4.559 8.746 1.00 0.00 N ATOM 663 CA SER A 38 -0.584 -4.454 8.982 1.00 0.00 C ATOM 664 C SER A 38 0.007 -3.406 8.035 1.00 0.00 C ATOM 665 O SER A 38 0.794 -2.561 8.450 1.00 0.00 O ATOM 666 CB SER A 38 0.096 -5.807 8.773 1.00 0.00 C ATOM 667 OG SER A 38 1.499 -5.708 8.953 1.00 0.00 O ATOM 668 H SER A 38 -2.384 -5.383 8.357 1.00 0.00 H ATOM 669 HA SER A 38 -0.432 -4.132 10.005 1.00 0.00 H ATOM 670 HB2 SER A 38 -0.293 -6.515 9.489 1.00 0.00 H ATOM 671 HB3 SER A 38 -0.102 -6.161 7.773 1.00 0.00 H ATOM 672 HG SER A 38 1.690 -5.431 9.868 1.00 0.00 H ATOM 673 N GLU A 39 -0.419 -3.446 6.767 1.00 0.00 N ATOM 674 CA GLU A 39 0.023 -2.476 5.768 1.00 0.00 C ATOM 675 C GLU A 39 -0.364 -1.074 6.219 1.00 0.00 C ATOM 676 O GLU A 39 0.467 -0.163 6.246 1.00 0.00 O ATOM 677 CB GLU A 39 -0.621 -2.766 4.412 1.00 0.00 C ATOM 678 CG GLU A 39 0.316 -3.407 3.403 1.00 0.00 C ATOM 679 CD GLU A 39 0.707 -4.820 3.772 1.00 0.00 C ATOM 680 OE1 GLU A 39 -0.196 -5.657 3.971 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.921 -5.105 3.834 1.00 0.00 O ATOM 682 H GLU A 39 -1.073 -4.124 6.507 1.00 0.00 H ATOM 683 HA GLU A 39 1.099 -2.538 5.676 1.00 0.00 H ATOM 684 HB2 GLU A 39 -1.460 -3.428 4.564 1.00 0.00 H ATOM 685 HB3 GLU A 39 -0.982 -1.841 3.995 1.00 0.00 H ATOM 686 HG2 GLU A 39 -0.171 -3.426 2.439 1.00 0.00 H ATOM 687 HG3 GLU A 39 1.213 -2.807 3.338 1.00 0.00 H ATOM 688 N GLU A 40 -1.634 -0.933 6.590 1.00 0.00 N ATOM 689 CA GLU A 40 -2.177 0.333 7.073 1.00 0.00 C ATOM 690 C GLU A 40 -1.376 0.840 8.272 1.00 0.00 C ATOM 691 O GLU A 40 -1.049 2.022 8.364 1.00 0.00 O ATOM 692 CB GLU A 40 -3.642 0.154 7.496 1.00 0.00 C ATOM 693 CG GLU A 40 -4.276 1.422 8.051 1.00 0.00 C ATOM 694 CD GLU A 40 -5.624 1.169 8.697 1.00 0.00 C ATOM 695 OE1 GLU A 40 -6.011 -0.009 8.839 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.294 2.147 9.085 1.00 0.00 O ATOM 697 H GLU A 40 -2.225 -1.720 6.545 1.00 0.00 H ATOM 698 HA GLU A 40 -2.125 1.053 6.267 1.00 0.00 H ATOM 699 HB2 GLU A 40 -4.219 -0.162 6.639 1.00 0.00 H ATOM 700 HB3 GLU A 40 -3.697 -0.612 8.258 1.00 0.00 H ATOM 701 HG2 GLU A 40 -3.613 1.848 8.791 1.00 0.00 H ATOM 702 HG3 GLU A 40 -4.406 2.125 7.240 1.00 0.00 H ATOM 703 N GLU A 41 -1.082 -0.073 9.194 1.00 0.00 N ATOM 704 CA GLU A 41 -0.346 0.251 10.404 1.00 0.00 C ATOM 705 C GLU A 41 1.008 0.878 10.100 1.00 0.00 C ATOM 706 O GLU A 41 1.318 1.932 10.621 1.00 0.00 O ATOM 707 CB GLU A 41 -0.158 -0.996 11.274 1.00 0.00 C ATOM 708 CG GLU A 41 0.452 -0.705 12.640 1.00 0.00 C ATOM 709 CD GLU A 41 -0.441 0.154 13.519 1.00 0.00 C ATOM 710 OE1 GLU A 41 -1.594 0.424 13.128 1.00 0.00 O ATOM 711 OE2 GLU A 41 0.002 0.550 14.617 1.00 0.00 O ATOM 712 H GLU A 41 -1.386 -0.999 9.061 1.00 0.00 H ATOM 713 HA GLU A 41 -0.932 0.965 10.959 1.00 0.00 H ATOM 714 HB2 GLU A 41 -1.119 -1.461 11.427 1.00 0.00 H ATOM 715 HB3 GLU A 41 0.488 -1.690 10.756 1.00 0.00 H ATOM 716 HG2 GLU A 41 0.634 -1.641 13.145 1.00 0.00 H ATOM 717 HG3 GLU A 41 1.394 -0.189 12.496 1.00 0.00 H ATOM 718 N LYS A 42 1.812 0.220 9.274 1.00 0.00 N ATOM 719 CA LYS A 42 3.151 0.726 8.940 1.00 0.00 C ATOM 720 C LYS A 42 3.111 2.153 8.376 1.00 0.00 C ATOM 721 O LYS A 42 3.764 3.066 8.911 1.00 0.00 O ATOM 722 CB LYS A 42 3.841 -0.187 7.914 1.00 0.00 C ATOM 723 CG LYS A 42 3.658 -1.679 8.148 1.00 0.00 C ATOM 724 CD LYS A 42 4.144 -2.492 6.944 1.00 0.00 C ATOM 725 CE LYS A 42 3.603 -3.918 6.949 1.00 0.00 C ATOM 726 NZ LYS A 42 3.885 -4.640 5.665 1.00 0.00 N ATOM 727 H LYS A 42 1.509 -0.636 8.899 1.00 0.00 H ATOM 728 HA LYS A 42 3.726 0.743 9.851 1.00 0.00 H ATOM 729 HB2 LYS A 42 3.450 0.045 6.939 1.00 0.00 H ATOM 730 HB3 LYS A 42 4.900 0.024 7.920 1.00 0.00 H ATOM 731 HG2 LYS A 42 4.217 -1.969 9.025 1.00 0.00 H ATOM 732 HG3 LYS A 42 2.610 -1.876 8.306 1.00 0.00 H ATOM 733 HD2 LYS A 42 3.806 -2.006 6.042 1.00 0.00 H ATOM 734 HD3 LYS A 42 5.225 -2.526 6.954 1.00 0.00 H ATOM 735 HE2 LYS A 42 4.052 -4.462 7.769 1.00 0.00 H ATOM 736 HE3 LYS A 42 2.532 -3.866 7.094 1.00 0.00 H ATOM 737 HZ1 LYS A 42 3.797 -5.673 5.803 1.00 0.00 H ATOM 738 HZ2 LYS A 42 4.852 -4.429 5.326 1.00 0.00 H ATOM 739 HZ3 LYS A 42 3.204 -4.355 4.927 1.00 0.00 H ATOM 740 N VAL A 43 2.353 2.337 7.300 1.00 0.00 N ATOM 741 CA VAL A 43 2.228 3.642 6.652 1.00 0.00 C ATOM 742 C VAL A 43 1.722 4.688 7.640 1.00 0.00 C ATOM 743 O VAL A 43 2.253 5.793 7.706 1.00 0.00 O ATOM 744 CB VAL A 43 1.258 3.574 5.457 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.147 4.927 4.782 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.709 2.513 4.466 1.00 0.00 C ATOM 747 H VAL A 43 1.859 1.574 6.925 1.00 0.00 H ATOM 748 HA VAL A 43 3.209 3.949 6.274 1.00 0.00 H ATOM 749 HB VAL A 43 0.278 3.302 5.827 1.00 0.00 H ATOM 750 HG11 VAL A 43 0.888 5.676 5.516 1.00 0.00 H ATOM 751 HG12 VAL A 43 0.382 4.886 4.022 1.00 0.00 H ATOM 752 HG13 VAL A 43 2.094 5.178 4.328 1.00 0.00 H ATOM 753 HG21 VAL A 43 0.971 2.401 3.688 1.00 0.00 H ATOM 754 HG22 VAL A 43 1.830 1.571 4.979 1.00 0.00 H ATOM 755 HG23 VAL A 43 2.653 2.805 4.029 1.00 0.00 H ATOM 756 N ARG A 44 0.691 4.334 8.405 1.00 0.00 N ATOM 757 CA ARG A 44 0.117 5.261 9.376 1.00 0.00 C ATOM 758 C ARG A 44 1.025 5.438 10.604 1.00 0.00 C ATOM 759 O ARG A 44 0.939 6.467 11.284 1.00 0.00 O ATOM 760 CB ARG A 44 -1.281 4.815 9.819 1.00 0.00 C ATOM 761 CG ARG A 44 -2.099 5.937 10.439 1.00 0.00 C ATOM 762 CD ARG A 44 -3.477 5.459 10.873 1.00 0.00 C ATOM 763 NE ARG A 44 -4.353 6.579 11.235 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.566 6.435 11.762 1.00 0.00 C ATOM 765 NH1 ARG A 44 -6.045 5.239 12.044 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.300 7.502 12.012 1.00 0.00 N ATOM 767 H ARG A 44 0.302 3.437 8.306 1.00 0.00 H ATOM 768 HA ARG A 44 0.027 6.220 8.877 1.00 0.00 H ATOM 769 HB2 ARG A 44 -1.818 4.437 8.963 1.00 0.00 H ATOM 770 HB3 ARG A 44 -1.182 4.024 10.549 1.00 0.00 H ATOM 771 HG2 ARG A 44 -1.576 6.322 11.301 1.00 0.00 H ATOM 772 HG3 ARG A 44 -2.215 6.724 9.711 1.00 0.00 H ATOM 773 HD2 ARG A 44 -3.925 4.916 10.058 1.00 0.00 H ATOM 774 HD3 ARG A 44 -3.368 4.809 11.726 1.00 0.00 H ATOM 775 HE ARG A 44 -4.023 7.484 11.051 1.00 0.00 H ATOM 776 HH11 ARG A 44 -5.499 4.413 11.864 1.00 0.00 H ATOM 777 HH12 ARG A 44 -6.969 5.148 12.439 1.00 0.00 H ATOM 778 HH21 ARG A 44 -5.948 8.423 11.800 1.00 0.00 H ATOM 779 HH22 ARG A 44 -7.219 7.399 12.417 1.00 0.00 H ATOM 780 N ASN A 45 1.894 4.455 10.887 1.00 0.00 N ATOM 781 CA ASN A 45 2.800 4.546 12.024 1.00 0.00 C ATOM 782 C ASN A 45 3.705 5.749 11.854 1.00 0.00 C ATOM 783 O ASN A 45 3.992 6.469 12.814 1.00 0.00 O ATOM 784 CB ASN A 45 3.648 3.282 12.165 1.00 0.00 C ATOM 785 CG ASN A 45 3.027 2.237 13.077 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.644 1.210 13.359 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.807 2.475 13.543 1.00 0.00 N ATOM 788 H ASN A 45 1.934 3.651 10.313 1.00 0.00 H ATOM 789 HA ASN A 45 2.201 4.676 12.917 1.00 0.00 H ATOM 790 HB2 ASN A 45 3.784 2.839 11.193 1.00 0.00 H ATOM 791 HB3 ASN A 45 4.610 3.554 12.564 1.00 0.00 H ATOM 792 HD21 ASN A 45 1.353 3.309 13.277 1.00 0.00 H ATOM 793 HD22 ASN A 45 1.399 1.804 14.141 1.00 0.00 H ATOM 794 N GLU A 46 4.133 5.980 10.621 1.00 0.00 N ATOM 795 CA GLU A 46 4.983 7.128 10.325 1.00 0.00 C ATOM 796 C GLU A 46 4.219 8.434 10.614 1.00 0.00 C ATOM 797 O GLU A 46 2.995 8.495 10.486 1.00 0.00 O ATOM 798 CB GLU A 46 5.477 7.045 8.889 1.00 0.00 C ATOM 799 CG GLU A 46 6.198 5.729 8.591 1.00 0.00 C ATOM 800 CD GLU A 46 7.389 5.467 9.506 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.779 6.374 10.273 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.953 4.348 9.454 1.00 0.00 O ATOM 803 H GLU A 46 3.855 5.376 9.887 1.00 0.00 H ATOM 804 HA GLU A 46 5.834 7.081 10.994 1.00 0.00 H ATOM 805 HB2 GLU A 46 4.630 7.137 8.223 1.00 0.00 H ATOM 806 HB3 GLU A 46 6.160 7.857 8.707 1.00 0.00 H ATOM 807 HG2 GLU A 46 5.495 4.917 8.708 1.00 0.00 H ATOM 808 HG3 GLU A 46 6.546 5.751 7.568 1.00 0.00 H ATOM 809 N PRO A 47 4.926 9.468 11.103 1.00 0.00 N ATOM 810 CA PRO A 47 4.309 10.747 11.523 1.00 0.00 C ATOM 811 C PRO A 47 3.850 11.699 10.416 1.00 0.00 C ATOM 812 O PRO A 47 2.788 12.317 10.537 1.00 0.00 O ATOM 813 CB PRO A 47 5.420 11.421 12.346 1.00 0.00 C ATOM 814 CG PRO A 47 6.460 10.367 12.563 1.00 0.00 C ATOM 815 CD PRO A 47 6.370 9.460 11.380 1.00 0.00 C ATOM 816 HA PRO A 47 3.468 10.566 12.175 1.00 0.00 H ATOM 817 HB2 PRO A 47 5.815 12.259 11.791 1.00 0.00 H ATOM 818 HB3 PRO A 47 5.010 11.767 13.282 1.00 0.00 H ATOM 819 HG2 PRO A 47 7.442 10.816 12.614 1.00 0.00 H ATOM 820 HG3 PRO A 47 6.248 9.822 13.470 1.00 0.00 H ATOM 821 HD2 PRO A 47 6.936 9.861 10.554 1.00 0.00 H ATOM 822 HD3 PRO A 47 6.717 8.468 11.634 1.00 0.00 H ATOM 823 N THR A 48 4.633 11.865 9.365 1.00 0.00 N ATOM 824 CA THR A 48 4.256 12.805 8.316 1.00 0.00 C ATOM 825 C THR A 48 4.395 12.186 6.938 1.00 0.00 C ATOM 826 O THR A 48 4.846 11.051 6.824 1.00 0.00 O ATOM 827 CB THR A 48 5.123 14.077 8.387 1.00 0.00 C ATOM 828 OG1 THR A 48 6.514 13.721 8.373 1.00 0.00 O ATOM 829 CG2 THR A 48 4.831 14.872 9.648 1.00 0.00 C ATOM 830 H THR A 48 5.485 11.377 9.298 1.00 0.00 H ATOM 831 HA THR A 48 3.224 13.085 8.473 1.00 0.00 H ATOM 832 HB THR A 48 4.892 14.697 7.530 1.00 0.00 H ATOM 833 HG1 THR A 48 6.765 13.343 9.227 1.00 0.00 H ATOM 834 HG21 THR A 48 4.251 14.269 10.333 1.00 0.00 H ATOM 835 HG22 THR A 48 4.276 15.763 9.388 1.00 0.00 H ATOM 836 HG23 THR A 48 5.766 15.152 10.111 1.00 0.00 H ATOM 837 N GLN A 49 4.041 12.951 5.891 1.00 0.00 N ATOM 838 CA GLN A 49 4.139 12.490 4.504 1.00 0.00 C ATOM 839 C GLN A 49 5.546 11.988 4.212 1.00 0.00 C ATOM 840 O GLN A 49 5.769 11.214 3.280 1.00 0.00 O ATOM 841 CB GLN A 49 3.798 13.623 3.538 1.00 0.00 C ATOM 842 CG GLN A 49 3.646 13.158 2.100 1.00 0.00 C ATOM 843 CD GLN A 49 2.211 13.265 1.614 1.00 0.00 C ATOM 844 OE1 GLN A 49 1.627 14.345 1.599 1.00 0.00 O ATOM 845 NE2 GLN A 49 1.632 12.153 1.216 1.00 0.00 N ATOM 846 H GLN A 49 3.711 13.863 6.060 1.00 0.00 H ATOM 847 HA GLN A 49 3.440 11.684 4.365 1.00 0.00 H ATOM 848 HB2 GLN A 49 2.867 14.077 3.851 1.00 0.00 H ATOM 849 HB3 GLN A 49 4.580 14.365 3.577 1.00 0.00 H ATOM 850 HG2 GLN A 49 4.278 13.761 1.464 1.00 0.00 H ATOM 851 HG3 GLN A 49 3.959 12.122 2.038 1.00 0.00 H ATOM 852 HE21 GLN A 49 2.149 11.322 1.250 1.00 0.00 H ATOM 853 HE22 GLN A 49 0.701 12.207 0.910 1.00 0.00 H ATOM 854 N GLN A 50 6.468 12.423 5.054 1.00 0.00 N ATOM 855 CA GLN A 50 7.864 12.047 4.979 1.00 0.00 C ATOM 856 C GLN A 50 7.997 10.541 4.819 1.00 0.00 C ATOM 857 O GLN A 50 8.165 10.038 3.709 1.00 0.00 O ATOM 858 CB GLN A 50 8.557 12.523 6.259 1.00 0.00 C ATOM 859 CG GLN A 50 10.013 12.114 6.410 1.00 0.00 C ATOM 860 CD GLN A 50 10.482 12.344 7.829 1.00 0.00 C ATOM 861 OE1 GLN A 50 10.630 13.481 8.280 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.689 11.266 8.562 1.00 0.00 N ATOM 863 H GLN A 50 6.188 13.019 5.777 1.00 0.00 H ATOM 864 HA GLN A 50 8.297 12.530 4.131 1.00 0.00 H ATOM 865 HB2 GLN A 50 8.510 13.599 6.293 1.00 0.00 H ATOM 866 HB3 GLN A 50 8.010 12.131 7.106 1.00 0.00 H ATOM 867 HG2 GLN A 50 10.114 11.064 6.174 1.00 0.00 H ATOM 868 HG3 GLN A 50 10.618 12.701 5.739 1.00 0.00 H ATOM 869 HE21 GLN A 50 10.539 10.387 8.154 1.00 0.00 H ATOM 870 HE22 GLN A 50 10.970 11.388 9.494 1.00 0.00 H ATOM 871 N GLN A 51 7.890 9.823 5.921 1.00 0.00 N ATOM 872 CA GLN A 51 7.982 8.383 5.885 1.00 0.00 C ATOM 873 C GLN A 51 6.622 7.760 5.624 1.00 0.00 C ATOM 874 O GLN A 51 6.540 6.578 5.350 1.00 0.00 O ATOM 875 CB GLN A 51 8.583 7.849 7.182 1.00 0.00 C ATOM 876 CG GLN A 51 10.087 8.051 7.273 1.00 0.00 C ATOM 877 CD GLN A 51 10.660 7.604 8.601 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.426 8.232 9.632 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.409 6.513 8.592 1.00 0.00 N ATOM 880 H GLN A 51 7.726 10.274 6.783 1.00 0.00 H ATOM 881 HA GLN A 51 8.639 8.125 5.069 1.00 0.00 H ATOM 882 HB2 GLN A 51 8.118 8.350 8.021 1.00 0.00 H ATOM 883 HB3 GLN A 51 8.380 6.792 7.252 1.00 0.00 H ATOM 884 HG2 GLN A 51 10.560 7.483 6.486 1.00 0.00 H ATOM 885 HG3 GLN A 51 10.301 9.103 7.138 1.00 0.00 H ATOM 886 HE21 GLN A 51 11.557 6.051 7.730 1.00 0.00 H ATOM 887 HE22 GLN A 51 11.774 6.198 9.445 1.00 0.00 H ATOM 888 N ARG A 52 5.558 8.561 5.703 1.00 0.00 N ATOM 889 CA ARG A 52 4.203 8.053 5.454 1.00 0.00 C ATOM 890 C ARG A 52 4.041 7.754 3.967 1.00 0.00 C ATOM 891 O ARG A 52 3.809 6.610 3.576 1.00 0.00 O ATOM 892 CB ARG A 52 3.129 9.041 5.917 1.00 0.00 C ATOM 893 CG ARG A 52 1.754 8.416 6.074 1.00 0.00 C ATOM 894 CD ARG A 52 1.237 8.557 7.498 1.00 0.00 C ATOM 895 NE ARG A 52 0.774 9.907 7.801 1.00 0.00 N ATOM 896 CZ ARG A 52 0.268 10.267 8.974 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.268 9.415 9.988 1.00 0.00 N ATOM 898 NH2 ARG A 52 -0.232 11.474 9.150 1.00 0.00 N ATOM 899 H ARG A 52 5.690 9.511 5.927 1.00 0.00 H ATOM 900 HA ARG A 52 4.097 7.128 6.004 1.00 0.00 H ATOM 901 HB2 ARG A 52 3.421 9.457 6.873 1.00 0.00 H ATOM 902 HB3 ARG A 52 3.057 9.841 5.196 1.00 0.00 H ATOM 903 HG2 ARG A 52 1.065 8.908 5.403 1.00 0.00 H ATOM 904 HG3 ARG A 52 1.817 7.367 5.824 1.00 0.00 H ATOM 905 HD2 ARG A 52 0.414 7.870 7.637 1.00 0.00 H ATOM 906 HD3 ARG A 52 2.034 8.298 8.178 1.00 0.00 H ATOM 907 HE ARG A 52 0.823 10.581 7.072 1.00 0.00 H ATOM 908 HH11 ARG A 52 0.670 8.505 9.879 1.00 0.00 H ATOM 909 HH12 ARG A 52 -0.128 9.687 10.880 1.00 0.00 H ATOM 910 HH21 ARG A 52 -0.226 12.142 8.388 1.00 0.00 H ATOM 911 HH22 ARG A 52 -0.615 11.735 10.034 1.00 0.00 H ATOM 912 N ALA A 53 4.217 8.781 3.129 1.00 0.00 N ATOM 913 CA ALA A 53 4.148 8.595 1.678 1.00 0.00 C ATOM 914 C ALA A 53 5.276 7.692 1.244 1.00 0.00 C ATOM 915 O ALA A 53 5.081 6.810 0.418 1.00 0.00 O ATOM 916 CB ALA A 53 4.229 9.919 0.940 1.00 0.00 C ATOM 917 H ALA A 53 4.441 9.665 3.493 1.00 0.00 H ATOM 918 HA ALA A 53 3.211 8.116 1.415 1.00 0.00 H ATOM 919 HB1 ALA A 53 3.368 10.528 1.190 1.00 0.00 H ATOM 920 HB2 ALA A 53 4.245 9.734 -0.125 1.00 0.00 H ATOM 921 HB3 ALA A 53 5.135 10.435 1.231 1.00 0.00 H ATOM 922 N ALA A 54 6.458 7.894 1.825 1.00 0.00 N ATOM 923 CA ALA A 54 7.591 7.060 1.485 1.00 0.00 C ATOM 924 C ALA A 54 7.308 5.599 1.816 1.00 0.00 C ATOM 925 O ALA A 54 7.783 4.716 1.119 1.00 0.00 O ATOM 926 CB ALA A 54 8.852 7.520 2.191 1.00 0.00 C ATOM 927 H ALA A 54 6.565 8.607 2.501 1.00 0.00 H ATOM 928 HA ALA A 54 7.747 7.152 0.419 1.00 0.00 H ATOM 929 HB1 ALA A 54 9.544 6.690 2.269 1.00 0.00 H ATOM 930 HB2 ALA A 54 8.602 7.872 3.180 1.00 0.00 H ATOM 931 HB3 ALA A 54 9.311 8.318 1.627 1.00 0.00 H ATOM 932 N MET A 55 6.533 5.345 2.879 1.00 0.00 N ATOM 933 CA MET A 55 6.212 3.985 3.273 1.00 0.00 C ATOM 934 C MET A 55 5.203 3.371 2.316 1.00 0.00 C ATOM 935 O MET A 55 5.306 2.200 1.978 1.00 0.00 O ATOM 936 CB MET A 55 5.692 3.952 4.705 1.00 0.00 C ATOM 937 CG MET A 55 5.533 2.543 5.239 1.00 0.00 C ATOM 938 SD MET A 55 7.070 1.605 5.140 1.00 0.00 S ATOM 939 CE MET A 55 6.539 -0.008 5.701 1.00 0.00 C ATOM 940 H MET A 55 6.165 6.088 3.413 1.00 0.00 H ATOM 941 HA MET A 55 7.123 3.406 3.219 1.00 0.00 H ATOM 942 HB2 MET A 55 6.396 4.482 5.337 1.00 0.00 H ATOM 943 HB3 MET A 55 4.738 4.461 4.747 1.00 0.00 H ATOM 944 HG2 MET A 55 5.219 2.599 6.269 1.00 0.00 H ATOM 945 HG3 MET A 55 4.784 2.035 4.655 1.00 0.00 H ATOM 946 HE1 MET A 55 6.650 -0.718 4.893 1.00 0.00 H ATOM 947 HE2 MET A 55 5.503 0.037 6.004 1.00 0.00 H ATOM 948 HE3 MET A 55 7.146 -0.317 6.539 1.00 0.00 H ATOM 949 N LEU A 56 4.260 4.176 1.847 1.00 0.00 N ATOM 950 CA LEU A 56 3.271 3.716 0.888 1.00 0.00 C ATOM 951 C LEU A 56 4.004 3.258 -0.376 1.00 0.00 C ATOM 952 O LEU A 56 3.800 2.147 -0.870 1.00 0.00 O ATOM 953 CB LEU A 56 2.308 4.860 0.558 1.00 0.00 C ATOM 954 CG LEU A 56 0.988 4.436 -0.085 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.112 3.731 0.941 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.255 5.631 -0.665 1.00 0.00 C ATOM 957 H LEU A 56 4.245 5.107 2.126 1.00 0.00 H ATOM 958 HA LEU A 56 2.726 2.884 1.315 1.00 0.00 H ATOM 959 HB2 LEU A 56 2.084 5.386 1.475 1.00 0.00 H ATOM 960 HB3 LEU A 56 2.808 5.538 -0.112 1.00 0.00 H ATOM 961 HG LEU A 56 1.192 3.741 -0.888 1.00 0.00 H ATOM 962 HD11 LEU A 56 0.007 2.692 0.673 1.00 0.00 H ATOM 963 HD12 LEU A 56 -0.862 4.201 0.969 1.00 0.00 H ATOM 964 HD13 LEU A 56 0.576 3.803 1.916 1.00 0.00 H ATOM 965 HD21 LEU A 56 0.332 6.464 0.014 1.00 0.00 H ATOM 966 HD22 LEU A 56 -0.784 5.379 -0.802 1.00 0.00 H ATOM 967 HD23 LEU A 56 0.690 5.903 -1.618 1.00 0.00 H ATOM 968 N ILE A 57 4.894 4.125 -0.857 1.00 0.00 N ATOM 969 CA ILE A 57 5.717 3.843 -2.034 1.00 0.00 C ATOM 970 C ILE A 57 6.678 2.686 -1.725 1.00 0.00 C ATOM 971 O ILE A 57 6.973 1.848 -2.581 1.00 0.00 O ATOM 972 CB ILE A 57 6.528 5.110 -2.434 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.629 6.346 -2.401 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.124 4.968 -3.829 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.383 7.649 -2.556 1.00 0.00 C ATOM 976 H ILE A 57 5.016 4.986 -0.387 1.00 0.00 H ATOM 977 HA ILE A 57 5.069 3.564 -2.856 1.00 0.00 H ATOM 978 HB ILE A 57 7.336 5.241 -1.722 1.00 0.00 H ATOM 979 HG12 ILE A 57 4.914 6.282 -3.207 1.00 0.00 H ATOM 980 HG13 ILE A 57 5.099 6.378 -1.457 1.00 0.00 H ATOM 981 HG21 ILE A 57 8.201 4.882 -3.757 1.00 0.00 H ATOM 982 HG22 ILE A 57 6.874 5.841 -4.419 1.00 0.00 H ATOM 983 HG23 ILE A 57 6.719 4.093 -4.311 1.00 0.00 H ATOM 984 HD11 ILE A 57 6.344 8.205 -1.632 1.00 0.00 H ATOM 985 HD12 ILE A 57 5.934 8.232 -3.343 1.00 0.00 H ATOM 986 HD13 ILE A 57 7.410 7.440 -2.804 1.00 0.00 H ATOM 987 N LYS A 58 7.147 2.641 -0.475 1.00 0.00 N ATOM 988 CA LYS A 58 8.061 1.599 -0.010 1.00 0.00 C ATOM 989 C LYS A 58 7.373 0.224 -0.002 1.00 0.00 C ATOM 990 O LYS A 58 8.025 -0.793 -0.234 1.00 0.00 O ATOM 991 CB LYS A 58 8.618 1.962 1.376 1.00 0.00 C ATOM 992 CG LYS A 58 9.690 1.011 1.893 1.00 0.00 C ATOM 993 CD LYS A 58 10.261 1.485 3.216 1.00 0.00 C ATOM 994 CE LYS A 58 11.015 2.811 3.077 1.00 0.00 C ATOM 995 NZ LYS A 58 12.342 2.647 2.418 1.00 0.00 N ATOM 996 H LYS A 58 6.861 3.333 0.159 1.00 0.00 H ATOM 997 HA LYS A 58 8.885 1.556 -0.708 1.00 0.00 H ATOM 998 HB2 LYS A 58 9.053 2.951 1.321 1.00 0.00 H ATOM 999 HB3 LYS A 58 7.804 1.984 2.088 1.00 0.00 H ATOM 1000 HG2 LYS A 58 9.255 0.034 2.035 1.00 0.00 H ATOM 1001 HG3 LYS A 58 10.489 0.954 1.168 1.00 0.00 H ATOM 1002 HD2 LYS A 58 9.446 1.611 3.916 1.00 0.00 H ATOM 1003 HD3 LYS A 58 10.941 0.730 3.589 1.00 0.00 H ATOM 1004 HE2 LYS A 58 10.413 3.490 2.491 1.00 0.00 H ATOM 1005 HE3 LYS A 58 11.163 3.228 4.059 1.00 0.00 H ATOM 1006 HZ1 LYS A 58 12.835 3.569 2.360 1.00 0.00 H ATOM 1007 HZ2 LYS A 58 12.221 2.268 1.448 1.00 0.00 H ATOM 1008 HZ3 LYS A 58 12.938 1.992 2.969 1.00 0.00 H ATOM 1009 N MET A 59 6.054 0.186 0.222 1.00 0.00 N ATOM 1010 CA MET A 59 5.333 -1.089 0.191 1.00 0.00 C ATOM 1011 C MET A 59 5.328 -1.591 -1.231 1.00 0.00 C ATOM 1012 O MET A 59 5.607 -2.757 -1.510 1.00 0.00 O ATOM 1013 CB MET A 59 3.867 -0.958 0.615 1.00 0.00 C ATOM 1014 CG MET A 59 3.610 -0.197 1.893 1.00 0.00 C ATOM 1015 SD MET A 59 1.838 -0.024 2.194 1.00 0.00 S ATOM 1016 CE MET A 59 1.270 0.488 0.566 1.00 0.00 C ATOM 1017 H MET A 59 5.556 1.023 0.380 1.00 0.00 H ATOM 1018 HA MET A 59 5.841 -1.800 0.824 1.00 0.00 H ATOM 1019 HB2 MET A 59 3.336 -0.450 -0.171 1.00 0.00 H ATOM 1020 HB3 MET A 59 3.449 -1.950 0.724 1.00 0.00 H ATOM 1021 HG2 MET A 59 4.063 -0.726 2.720 1.00 0.00 H ATOM 1022 HG3 MET A 59 4.050 0.783 1.808 1.00 0.00 H ATOM 1023 HE1 MET A 59 2.114 0.571 -0.103 1.00 0.00 H ATOM 1024 HE2 MET A 59 0.776 1.446 0.633 1.00 0.00 H ATOM 1025 HE3 MET A 59 0.576 -0.242 0.178 1.00 0.00 H ATOM 1026 N ILE A 60 4.990 -0.674 -2.129 1.00 0.00 N ATOM 1027 CA ILE A 60 4.916 -0.972 -3.548 1.00 0.00 C ATOM 1028 C ILE A 60 6.261 -1.511 -4.052 1.00 0.00 C ATOM 1029 O ILE A 60 6.306 -2.282 -5.008 1.00 0.00 O ATOM 1030 CB ILE A 60 4.480 0.269 -4.376 1.00 0.00 C ATOM 1031 CG1 ILE A 60 3.288 0.998 -3.731 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.127 -0.138 -5.796 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.197 0.099 -3.205 1.00 0.00 C ATOM 1034 H ILE A 60 4.771 0.236 -1.822 1.00 0.00 H ATOM 1035 HA ILE A 60 4.168 -1.746 -3.676 1.00 0.00 H ATOM 1036 HB ILE A 60 5.317 0.951 -4.424 1.00 0.00 H ATOM 1037 HG12 ILE A 60 3.639 1.588 -2.908 1.00 0.00 H ATOM 1038 HG13 ILE A 60 2.843 1.657 -4.466 1.00 0.00 H ATOM 1039 HG21 ILE A 60 3.238 0.388 -6.113 1.00 0.00 H ATOM 1040 HG22 ILE A 60 3.947 -1.203 -5.832 1.00 0.00 H ATOM 1041 HG23 ILE A 60 4.948 0.114 -6.455 1.00 0.00 H ATOM 1042 HD11 ILE A 60 1.530 -0.165 -4.013 1.00 0.00 H ATOM 1043 HD12 ILE A 60 1.652 0.624 -2.427 1.00 0.00 H ATOM 1044 HD13 ILE A 60 2.635 -0.795 -2.787 1.00 0.00 H ATOM 1045 N LEU A 61 7.348 -1.126 -3.375 1.00 0.00 N ATOM 1046 CA LEU A 61 8.695 -1.588 -3.722 1.00 0.00 C ATOM 1047 C LEU A 61 8.772 -3.113 -3.792 1.00 0.00 C ATOM 1048 O LEU A 61 9.538 -3.670 -4.581 1.00 0.00 O ATOM 1049 CB LEU A 61 9.713 -1.093 -2.689 1.00 0.00 C ATOM 1050 CG LEU A 61 10.689 -0.008 -3.168 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.483 -0.494 -4.370 1.00 0.00 C ATOM 1052 CD2 LEU A 61 9.951 1.275 -3.500 1.00 0.00 C ATOM 1053 H LEU A 61 7.235 -0.529 -2.607 1.00 0.00 H ATOM 1054 HA LEU A 61 8.952 -1.180 -4.690 1.00 0.00 H ATOM 1055 HB2 LEU A 61 9.164 -0.705 -1.840 1.00 0.00 H ATOM 1056 HB3 LEU A 61 10.291 -1.941 -2.357 1.00 0.00 H ATOM 1057 HG LEU A 61 11.389 0.207 -2.372 1.00 0.00 H ATOM 1058 HD11 LEU A 61 11.174 -1.497 -4.624 1.00 0.00 H ATOM 1059 HD12 LEU A 61 12.536 -0.494 -4.134 1.00 0.00 H ATOM 1060 HD13 LEU A 61 11.304 0.160 -5.208 1.00 0.00 H ATOM 1061 HD21 LEU A 61 9.104 1.049 -4.128 1.00 0.00 H ATOM 1062 HD22 LEU A 61 10.613 1.945 -4.024 1.00 0.00 H ATOM 1063 HD23 LEU A 61 9.607 1.743 -2.588 1.00 0.00 H ATOM 1064 N LYS A 62 7.980 -3.796 -2.969 1.00 0.00 N ATOM 1065 CA LYS A 62 7.998 -5.254 -2.972 1.00 0.00 C ATOM 1066 C LYS A 62 6.598 -5.859 -2.822 1.00 0.00 C ATOM 1067 O LYS A 62 6.390 -6.763 -2.010 1.00 0.00 O ATOM 1068 CB LYS A 62 8.911 -5.803 -1.870 1.00 0.00 C ATOM 1069 CG LYS A 62 9.910 -6.851 -2.357 1.00 0.00 C ATOM 1070 CD LYS A 62 9.220 -8.075 -2.956 1.00 0.00 C ATOM 1071 CE LYS A 62 8.576 -8.954 -1.888 1.00 0.00 C ATOM 1072 NZ LYS A 62 7.875 -10.129 -2.478 1.00 0.00 N ATOM 1073 H LYS A 62 7.379 -3.312 -2.359 1.00 0.00 H ATOM 1074 HA LYS A 62 8.398 -5.562 -3.926 1.00 0.00 H ATOM 1075 HB2 LYS A 62 9.460 -4.987 -1.431 1.00 0.00 H ATOM 1076 HB3 LYS A 62 8.293 -6.258 -1.108 1.00 0.00 H ATOM 1077 HG2 LYS A 62 10.545 -6.406 -3.110 1.00 0.00 H ATOM 1078 HG3 LYS A 62 10.515 -7.166 -1.519 1.00 0.00 H ATOM 1079 HD2 LYS A 62 8.454 -7.741 -3.637 1.00 0.00 H ATOM 1080 HD3 LYS A 62 9.953 -8.659 -3.494 1.00 0.00 H ATOM 1081 HE2 LYS A 62 9.346 -9.310 -1.217 1.00 0.00 H ATOM 1082 HE3 LYS A 62 7.863 -8.364 -1.335 1.00 0.00 H ATOM 1083 HZ1 LYS A 62 8.521 -10.662 -3.103 1.00 0.00 H ATOM 1084 HZ2 LYS A 62 7.049 -9.822 -3.037 1.00 0.00 H ATOM 1085 HZ3 LYS A 62 7.540 -10.762 -1.722 1.00 0.00 H ATOM 1086 N LYS A 63 5.657 -5.406 -3.635 1.00 0.00 N ATOM 1087 CA LYS A 63 4.318 -5.963 -3.611 1.00 0.00 C ATOM 1088 C LYS A 63 4.145 -6.802 -4.880 1.00 0.00 C ATOM 1089 O LYS A 63 4.996 -7.634 -5.160 1.00 0.00 O ATOM 1090 CB LYS A 63 3.255 -4.869 -3.488 1.00 0.00 C ATOM 1091 CG LYS A 63 2.331 -5.077 -2.292 1.00 0.00 C ATOM 1092 CD LYS A 63 3.092 -5.008 -0.972 1.00 0.00 C ATOM 1093 CE LYS A 63 2.269 -5.528 0.209 1.00 0.00 C ATOM 1094 NZ LYS A 63 3.075 -5.606 1.463 1.00 0.00 N ATOM 1095 H LYS A 63 5.878 -4.713 -4.292 1.00 0.00 H ATOM 1096 HA LYS A 63 4.250 -6.621 -2.753 1.00 0.00 H ATOM 1097 HB2 LYS A 63 3.743 -3.909 -3.387 1.00 0.00 H ATOM 1098 HB3 LYS A 63 2.651 -4.867 -4.385 1.00 0.00 H ATOM 1099 HG2 LYS A 63 1.575 -4.310 -2.300 1.00 0.00 H ATOM 1100 HG3 LYS A 63 1.866 -6.046 -2.381 1.00 0.00 H ATOM 1101 HD2 LYS A 63 3.989 -5.593 -1.061 1.00 0.00 H ATOM 1102 HD3 LYS A 63 3.353 -3.979 -0.786 1.00 0.00 H ATOM 1103 HE2 LYS A 63 1.431 -4.867 0.369 1.00 0.00 H ATOM 1104 HE3 LYS A 63 1.905 -6.513 -0.031 1.00 0.00 H ATOM 1105 HZ1 LYS A 63 3.520 -6.549 1.544 1.00 0.00 H ATOM 1106 HZ2 LYS A 63 2.473 -5.445 2.300 1.00 0.00 H ATOM 1107 HZ3 LYS A 63 3.828 -4.884 1.455 1.00 0.00 H ATOM 1108 N ASP A 64 3.081 -6.587 -5.654 1.00 0.00 N ATOM 1109 CA ASP A 64 2.873 -7.357 -6.892 1.00 0.00 C ATOM 1110 C ASP A 64 2.115 -6.541 -7.910 1.00 0.00 C ATOM 1111 O ASP A 64 1.696 -5.422 -7.625 1.00 0.00 O ATOM 1112 CB ASP A 64 2.113 -8.664 -6.609 1.00 0.00 C ATOM 1113 CG ASP A 64 2.936 -9.675 -5.828 1.00 0.00 C ATOM 1114 OD1 ASP A 64 3.988 -10.116 -6.338 1.00 0.00 O ATOM 1115 OD2 ASP A 64 2.540 -10.014 -4.697 1.00 0.00 O ATOM 1116 H ASP A 64 2.429 -5.897 -5.404 1.00 0.00 H ATOM 1117 HA ASP A 64 3.842 -7.593 -7.312 1.00 0.00 H ATOM 1118 HB2 ASP A 64 1.228 -8.436 -6.032 1.00 0.00 H ATOM 1119 HB3 ASP A 64 1.815 -9.114 -7.548 1.00 0.00 H ATOM 1120 N ASN A 65 1.949 -7.110 -9.098 1.00 0.00 N ATOM 1121 CA ASN A 65 1.238 -6.444 -10.180 1.00 0.00 C ATOM 1122 C ASN A 65 -0.161 -6.063 -9.725 1.00 0.00 C ATOM 1123 O ASN A 65 -0.604 -4.941 -9.926 1.00 0.00 O ATOM 1124 CB ASN A 65 1.158 -7.365 -11.406 1.00 0.00 C ATOM 1125 CG ASN A 65 0.812 -6.635 -12.690 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.184 -5.928 -12.779 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.621 -6.834 -13.712 1.00 0.00 N ATOM 1128 H ASN A 65 2.318 -8.010 -9.254 1.00 0.00 H ATOM 1129 HA ASN A 65 1.779 -5.546 -10.438 1.00 0.00 H ATOM 1130 HB2 ASN A 65 2.110 -7.854 -11.543 1.00 0.00 H ATOM 1131 HB3 ASN A 65 0.398 -8.113 -11.233 1.00 0.00 H ATOM 1132 HD21 ASN A 65 2.382 -7.440 -13.589 1.00 0.00 H ATOM 1133 HD22 ASN A 65 1.429 -6.363 -14.553 1.00 0.00 H ATOM 1134 N ASP A 66 -0.841 -7.009 -9.101 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.192 -6.792 -8.610 1.00 0.00 C ATOM 1136 C ASP A 66 -2.261 -5.576 -7.686 1.00 0.00 C ATOM 1137 O ASP A 66 -3.115 -4.704 -7.862 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.681 -8.041 -7.874 1.00 0.00 C ATOM 1139 CG ASP A 66 -4.125 -8.376 -8.183 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.470 -8.449 -9.376 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.908 -8.598 -7.239 1.00 0.00 O ATOM 1142 H ASP A 66 -0.422 -7.893 -8.964 1.00 0.00 H ATOM 1143 HA ASP A 66 -2.824 -6.618 -9.467 1.00 0.00 H ATOM 1144 HB2 ASP A 66 -2.068 -8.880 -8.164 1.00 0.00 H ATOM 1145 HB3 ASP A 66 -2.584 -7.883 -6.812 1.00 0.00 H ATOM 1146 N SER A 67 -1.365 -5.518 -6.701 1.00 0.00 N ATOM 1147 CA SER A 67 -1.342 -4.403 -5.753 1.00 0.00 C ATOM 1148 C SER A 67 -0.912 -3.127 -6.432 1.00 0.00 C ATOM 1149 O SER A 67 -1.350 -2.044 -6.064 1.00 0.00 O ATOM 1150 CB SER A 67 -0.378 -4.672 -4.623 1.00 0.00 C ATOM 1151 OG SER A 67 -0.297 -6.063 -4.344 1.00 0.00 O ATOM 1152 H SER A 67 -0.704 -6.242 -6.609 1.00 0.00 H ATOM 1153 HA SER A 67 -2.324 -4.273 -5.348 1.00 0.00 H ATOM 1154 HB2 SER A 67 0.592 -4.284 -4.908 1.00 0.00 H ATOM 1155 HB3 SER A 67 -0.724 -4.157 -3.738 1.00 0.00 H ATOM 1156 HG SER A 67 0.552 -6.266 -3.927 1.00 0.00 H ATOM 1157 N TYR A 68 -0.035 -3.258 -7.409 1.00 0.00 N ATOM 1158 CA TYR A 68 0.460 -2.102 -8.124 1.00 0.00 C ATOM 1159 C TYR A 68 -0.661 -1.484 -8.949 1.00 0.00 C ATOM 1160 O TYR A 68 -0.823 -0.271 -8.943 1.00 0.00 O ATOM 1161 CB TYR A 68 1.659 -2.469 -8.994 1.00 0.00 C ATOM 1162 CG TYR A 68 2.226 -1.307 -9.763 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.178 -0.010 -9.260 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.809 -1.504 -10.997 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.692 1.048 -9.978 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.325 -0.449 -11.712 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.266 0.819 -11.203 1.00 0.00 C ATOM 1168 OH TYR A 68 3.772 1.861 -11.932 1.00 0.00 O ATOM 1169 H TYR A 68 0.290 -4.154 -7.648 1.00 0.00 H ATOM 1170 HA TYR A 68 0.770 -1.375 -7.383 1.00 0.00 H ATOM 1171 HB2 TYR A 68 2.448 -2.866 -8.369 1.00 0.00 H ATOM 1172 HB3 TYR A 68 1.357 -3.219 -9.706 1.00 0.00 H ATOM 1173 HD1 TYR A 68 1.731 0.167 -8.297 1.00 0.00 H ATOM 1174 HD2 TYR A 68 2.858 -2.502 -11.404 1.00 0.00 H ATOM 1175 HE1 TYR A 68 2.651 2.048 -9.573 1.00 0.00 H ATOM 1176 HE2 TYR A 68 3.777 -0.624 -12.681 1.00 0.00 H ATOM 1177 HH TYR A 68 3.644 1.690 -12.873 1.00 0.00 H ATOM 1178 N VAL A 69 -1.463 -2.309 -9.620 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.591 -1.784 -10.389 1.00 0.00 C ATOM 1180 C VAL A 69 -3.602 -1.181 -9.415 1.00 0.00 C ATOM 1181 O VAL A 69 -4.300 -0.229 -9.745 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.276 -2.842 -11.286 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.224 -2.174 -12.263 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.241 -3.655 -12.050 1.00 0.00 C ATOM 1185 H VAL A 69 -1.311 -3.283 -9.575 1.00 0.00 H ATOM 1186 HA VAL A 69 -2.221 -0.988 -11.023 1.00 0.00 H ATOM 1187 HB VAL A 69 -3.849 -3.510 -10.662 1.00 0.00 H ATOM 1188 HG11 VAL A 69 -4.972 -2.888 -12.575 1.00 0.00 H ATOM 1189 HG12 VAL A 69 -3.657 -1.835 -13.122 1.00 0.00 H ATOM 1190 HG13 VAL A 69 -4.707 -1.326 -11.787 1.00 0.00 H ATOM 1191 HG21 VAL A 69 -2.732 -4.434 -12.613 1.00 0.00 H ATOM 1192 HG22 VAL A 69 -1.544 -4.095 -11.351 1.00 0.00 H ATOM 1193 HG23 VAL A 69 -1.708 -3.004 -12.728 1.00 0.00 H ATOM 1194 N SER A 70 -3.627 -1.704 -8.187 1.00 0.00 N ATOM 1195 CA SER A 70 -4.501 -1.167 -7.146 1.00 0.00 C ATOM 1196 C SER A 70 -3.953 0.194 -6.734 1.00 0.00 C ATOM 1197 O SER A 70 -4.680 1.183 -6.757 1.00 0.00 O ATOM 1198 CB SER A 70 -4.581 -2.114 -5.947 1.00 0.00 C ATOM 1199 OG SER A 70 -5.527 -1.664 -4.985 1.00 0.00 O ATOM 1200 H SER A 70 -3.015 -2.437 -7.969 1.00 0.00 H ATOM 1201 HA SER A 70 -5.495 -1.031 -7.572 1.00 0.00 H ATOM 1202 HB2 SER A 70 -4.869 -3.097 -6.287 1.00 0.00 H ATOM 1203 HB3 SER A 70 -3.612 -2.175 -5.474 1.00 0.00 H ATOM 1204 HG SER A 70 -6.315 -2.237 -5.015 1.00 0.00 H ATOM 1205 N PHE A 71 -2.649 0.255 -6.400 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.015 1.541 -6.051 1.00 0.00 C ATOM 1207 C PHE A 71 -2.214 2.536 -7.210 1.00 0.00 C ATOM 1208 O PHE A 71 -2.474 3.722 -7.002 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.516 1.342 -5.743 1.00 0.00 C ATOM 1210 CG PHE A 71 0.258 2.617 -5.521 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.076 3.492 -4.496 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.331 2.930 -6.343 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.654 4.650 -4.298 1.00 0.00 C ATOM 1214 CE2 PHE A 71 2.057 4.087 -6.148 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.720 4.948 -5.128 1.00 0.00 C ATOM 1216 H PHE A 71 -2.093 -0.586 -6.416 1.00 0.00 H ATOM 1217 HA PHE A 71 -2.510 1.925 -5.172 1.00 0.00 H ATOM 1218 HB2 PHE A 71 -0.420 0.746 -4.848 1.00 0.00 H ATOM 1219 HB3 PHE A 71 -0.056 0.815 -6.561 1.00 0.00 H ATOM 1220 HD1 PHE A 71 -0.908 3.266 -3.849 1.00 0.00 H ATOM 1221 HD2 PHE A 71 1.598 2.253 -7.145 1.00 0.00 H ATOM 1222 HE1 PHE A 71 0.388 5.326 -3.499 1.00 0.00 H ATOM 1223 HE2 PHE A 71 2.888 4.318 -6.794 1.00 0.00 H ATOM 1224 HZ PHE A 71 2.292 5.853 -4.972 1.00 0.00 H ATOM 1225 N TYR A 72 -2.135 2.002 -8.428 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.345 2.761 -9.666 1.00 0.00 C ATOM 1227 C TYR A 72 -3.761 3.336 -9.698 1.00 0.00 C ATOM 1228 O TYR A 72 -3.960 4.531 -9.906 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.131 1.810 -10.853 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.663 2.283 -12.184 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.074 3.332 -12.874 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -3.753 1.649 -12.763 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.562 3.740 -14.104 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.243 2.045 -13.990 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.647 3.092 -14.659 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.130 3.486 -15.888 1.00 0.00 O ATOM 1237 H TYR A 72 -1.951 1.038 -8.497 1.00 0.00 H ATOM 1238 HA TYR A 72 -1.627 3.563 -9.713 1.00 0.00 H ATOM 1239 HB2 TYR A 72 -1.078 1.639 -10.973 1.00 0.00 H ATOM 1240 HB3 TYR A 72 -2.610 0.866 -10.626 1.00 0.00 H ATOM 1241 HD1 TYR A 72 -4.219 0.832 -12.241 1.00 0.00 H ATOM 1242 HD2 TYR A 72 -1.223 3.837 -12.440 1.00 0.00 H ATOM 1243 HE1 TYR A 72 -5.095 1.535 -14.420 1.00 0.00 H ATOM 1244 HE2 TYR A 72 -2.095 4.566 -14.626 1.00 0.00 H ATOM 1245 HH TYR A 72 -5.100 3.562 -15.843 1.00 0.00 H ATOM 1246 N ASN A 73 -4.727 2.459 -9.479 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.145 2.820 -9.458 1.00 0.00 C ATOM 1248 C ASN A 73 -6.433 3.839 -8.350 1.00 0.00 C ATOM 1249 O ASN A 73 -7.273 4.723 -8.511 1.00 0.00 O ATOM 1250 CB ASN A 73 -6.986 1.554 -9.267 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.470 1.833 -9.136 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.087 2.441 -10.008 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.055 1.367 -8.048 1.00 0.00 N ATOM 1254 H ASN A 73 -4.477 1.524 -9.320 1.00 0.00 H ATOM 1255 HA ASN A 73 -6.388 3.262 -10.414 1.00 0.00 H ATOM 1256 HB2 ASN A 73 -6.838 0.899 -10.113 1.00 0.00 H ATOM 1257 HB3 ASN A 73 -6.654 1.050 -8.371 1.00 0.00 H ATOM 1258 HD21 ASN A 73 -8.502 0.879 -7.393 1.00 0.00 H ATOM 1259 HD22 ASN A 73 -10.014 1.517 -7.939 1.00 0.00 H ATOM 1260 N ALA A 74 -5.715 3.727 -7.236 1.00 0.00 N ATOM 1261 CA ALA A 74 -5.874 4.655 -6.123 1.00 0.00 C ATOM 1262 C ALA A 74 -5.446 6.059 -6.537 1.00 0.00 C ATOM 1263 O ALA A 74 -6.031 7.050 -6.096 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.082 4.175 -4.927 1.00 0.00 C ATOM 1265 H ALA A 74 -5.045 3.010 -7.168 1.00 0.00 H ATOM 1266 HA ALA A 74 -6.921 4.683 -5.849 1.00 0.00 H ATOM 1267 HB1 ALA A 74 -5.615 3.374 -4.440 1.00 0.00 H ATOM 1268 HB2 ALA A 74 -4.947 4.991 -4.234 1.00 0.00 H ATOM 1269 HB3 ALA A 74 -4.119 3.818 -5.259 1.00 0.00 H ATOM 1270 N LEU A 75 -4.452 6.139 -7.417 1.00 0.00 N ATOM 1271 CA LEU A 75 -3.989 7.423 -7.927 1.00 0.00 C ATOM 1272 C LEU A 75 -5.119 8.068 -8.721 1.00 0.00 C ATOM 1273 O LEU A 75 -5.370 9.264 -8.602 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.745 7.243 -8.804 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.493 6.752 -8.067 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.403 6.351 -9.056 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -0.975 7.830 -7.127 1.00 0.00 C ATOM 1278 H LEU A 75 -4.038 5.309 -7.752 1.00 0.00 H ATOM 1279 HA LEU A 75 -3.747 8.058 -7.088 1.00 0.00 H ATOM 1280 HB2 LEU A 75 -2.980 6.534 -9.584 1.00 0.00 H ATOM 1281 HB3 LEU A 75 -2.513 8.192 -9.265 1.00 0.00 H ATOM 1282 HG LEU A 75 -1.753 5.886 -7.474 1.00 0.00 H ATOM 1283 HD11 LEU A 75 -0.382 7.056 -9.873 1.00 0.00 H ATOM 1284 HD12 LEU A 75 -0.606 5.361 -9.440 1.00 0.00 H ATOM 1285 HD13 LEU A 75 0.556 6.353 -8.559 1.00 0.00 H ATOM 1286 HD21 LEU A 75 -1.187 8.804 -7.543 1.00 0.00 H ATOM 1287 HD22 LEU A 75 0.090 7.718 -7.008 1.00 0.00 H ATOM 1288 HD23 LEU A 75 -1.456 7.736 -6.165 1.00 0.00 H ATOM 1289 N LEU A 76 -5.836 7.254 -9.497 1.00 0.00 N ATOM 1290 CA LEU A 76 -6.971 7.745 -10.275 1.00 0.00 C ATOM 1291 C LEU A 76 -8.117 8.152 -9.348 1.00 0.00 C ATOM 1292 O LEU A 76 -8.958 8.967 -9.715 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.474 6.689 -11.268 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.691 6.576 -12.580 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.353 5.889 -12.363 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.513 5.829 -13.620 1.00 0.00 C ATOM 1297 H LEU A 76 -5.608 6.300 -9.524 1.00 0.00 H ATOM 1298 HA LEU A 76 -6.644 8.617 -10.820 1.00 0.00 H ATOM 1299 HB2 LEU A 76 -7.445 5.728 -10.777 1.00 0.00 H ATOM 1300 HB3 LEU A 76 -8.504 6.917 -11.510 1.00 0.00 H ATOM 1301 HG LEU A 76 -6.496 7.567 -12.963 1.00 0.00 H ATOM 1302 HD11 LEU A 76 -5.452 4.829 -12.554 1.00 0.00 H ATOM 1303 HD12 LEU A 76 -5.040 6.040 -11.341 1.00 0.00 H ATOM 1304 HD13 LEU A 76 -4.617 6.310 -13.033 1.00 0.00 H ATOM 1305 HD21 LEU A 76 -8.231 5.195 -13.122 1.00 0.00 H ATOM 1306 HD22 LEU A 76 -6.859 5.226 -14.234 1.00 0.00 H ATOM 1307 HD23 LEU A 76 -8.032 6.543 -14.244 1.00 0.00 H ATOM 1308 N HIS A 77 -8.132 7.580 -8.150 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.159 7.868 -7.165 1.00 0.00 C ATOM 1310 C HIS A 77 -8.950 9.235 -6.528 1.00 0.00 C ATOM 1311 O HIS A 77 -9.901 9.853 -6.048 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.170 6.773 -6.094 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.300 5.801 -6.247 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.628 6.172 -6.213 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.291 4.462 -6.436 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.385 5.102 -6.380 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.600 4.052 -6.518 1.00 0.00 N ATOM 1318 H HIS A 77 -7.427 6.944 -7.920 1.00 0.00 H ATOM 1319 HA HIS A 77 -10.111 7.867 -7.672 1.00 0.00 H ATOM 1320 HB2 HIS A 77 -8.245 6.215 -6.149 1.00 0.00 H ATOM 1321 HB3 HIS A 77 -9.241 7.224 -5.120 1.00 0.00 H ATOM 1322 HD1 HIS A 77 -11.970 7.098 -6.084 1.00 0.00 H ATOM 1323 HD2 HIS A 77 -9.416 3.831 -6.496 1.00 0.00 H ATOM 1324 HE1 HIS A 77 -13.465 5.090 -6.400 1.00 0.00 H ATOM 1325 HE2 HIS A 77 -11.891 3.175 -6.880 1.00 0.00 H ATOM 1326 N GLU A 78 -7.711 9.709 -6.524 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.406 11.011 -5.934 1.00 0.00 C ATOM 1328 C GLU A 78 -6.879 12.016 -6.966 1.00 0.00 C ATOM 1329 O GLU A 78 -6.013 12.838 -6.659 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.415 10.851 -4.783 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.067 10.555 -3.457 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.004 11.668 -3.024 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.100 11.796 -3.604 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -7.629 12.436 -2.114 1.00 0.00 O ATOM 1335 H GLU A 78 -6.989 9.174 -6.919 1.00 0.00 H ATOM 1336 HA GLU A 78 -8.329 11.401 -5.530 1.00 0.00 H ATOM 1337 HB2 GLU A 78 -5.737 10.045 -5.009 1.00 0.00 H ATOM 1338 HB3 GLU A 78 -5.855 11.762 -4.675 1.00 0.00 H ATOM 1339 HG2 GLU A 78 -7.623 9.635 -3.538 1.00 0.00 H ATOM 1340 HG3 GLU A 78 -6.291 10.446 -2.709 1.00 0.00 H ATOM 1341 N GLY A 79 -7.445 11.972 -8.173 1.00 0.00 N ATOM 1342 CA GLY A 79 -7.071 12.901 -9.238 1.00 0.00 C ATOM 1343 C GLY A 79 -5.598 12.896 -9.637 1.00 0.00 C ATOM 1344 O GLY A 79 -5.124 13.863 -10.232 1.00 0.00 O ATOM 1345 H GLY A 79 -8.157 11.318 -8.338 1.00 0.00 H ATOM 1346 HA2 GLY A 79 -7.652 12.662 -10.115 1.00 0.00 H ATOM 1347 HA3 GLY A 79 -7.336 13.901 -8.923 1.00 0.00 H ATOM 1348 N TYR A 80 -4.873 11.823 -9.341 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.461 11.740 -9.708 1.00 0.00 C ATOM 1350 C TYR A 80 -3.301 10.865 -10.944 1.00 0.00 C ATOM 1351 O TYR A 80 -2.508 9.917 -10.977 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.637 11.209 -8.531 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.816 12.034 -7.272 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -2.686 13.417 -7.298 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.131 11.435 -6.063 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -2.871 14.178 -6.155 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -3.326 12.187 -4.918 1.00 0.00 C ATOM 1358 CZ TYR A 80 -3.192 13.552 -4.966 1.00 0.00 C ATOM 1359 OH TYR A 80 -3.394 14.301 -3.824 1.00 0.00 O ATOM 1360 H TYR A 80 -5.294 11.060 -8.881 1.00 0.00 H ATOM 1361 HA TYR A 80 -3.126 12.739 -9.950 1.00 0.00 H ATOM 1362 HB2 TYR A 80 -2.941 10.195 -8.315 1.00 0.00 H ATOM 1363 HB3 TYR A 80 -1.585 11.222 -8.798 1.00 0.00 H ATOM 1364 HD1 TYR A 80 -3.236 10.361 -6.022 1.00 0.00 H ATOM 1365 HD2 TYR A 80 -2.435 13.902 -8.230 1.00 0.00 H ATOM 1366 HE1 TYR A 80 -3.569 11.698 -3.986 1.00 0.00 H ATOM 1367 HE2 TYR A 80 -2.761 15.253 -6.198 1.00 0.00 H ATOM 1368 HH TYR A 80 -4.306 14.172 -3.495 1.00 0.00 H ATOM 1369 N LYS A 81 -4.094 11.193 -11.953 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.116 10.472 -13.216 1.00 0.00 C ATOM 1371 C LYS A 81 -2.814 10.643 -13.991 1.00 0.00 C ATOM 1372 O LYS A 81 -2.409 9.753 -14.729 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.306 10.960 -14.055 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.463 10.273 -15.404 1.00 0.00 C ATOM 1375 CD LYS A 81 -6.636 10.838 -16.193 1.00 0.00 C ATOM 1376 CE LYS A 81 -6.460 12.322 -16.468 1.00 0.00 C ATOM 1377 NZ LYS A 81 -7.601 12.897 -17.232 1.00 0.00 N ATOM 1378 H LYS A 81 -4.706 11.949 -11.833 1.00 0.00 H ATOM 1379 HA LYS A 81 -4.250 9.422 -12.992 1.00 0.00 H ATOM 1380 HB2 LYS A 81 -6.215 10.805 -13.492 1.00 0.00 H ATOM 1381 HB3 LYS A 81 -5.184 12.018 -14.233 1.00 0.00 H ATOM 1382 HG2 LYS A 81 -4.562 10.425 -15.972 1.00 0.00 H ATOM 1383 HG3 LYS A 81 -5.622 9.215 -15.246 1.00 0.00 H ATOM 1384 HD2 LYS A 81 -6.701 10.319 -17.137 1.00 0.00 H ATOM 1385 HD3 LYS A 81 -7.546 10.682 -15.633 1.00 0.00 H ATOM 1386 HE2 LYS A 81 -6.372 12.842 -15.526 1.00 0.00 H ATOM 1387 HE3 LYS A 81 -5.554 12.457 -17.037 1.00 0.00 H ATOM 1388 HZ1 LYS A 81 -7.516 13.933 -17.273 1.00 0.00 H ATOM 1389 HZ2 LYS A 81 -8.514 12.653 -16.769 1.00 0.00 H ATOM 1390 HZ3 LYS A 81 -7.605 12.533 -18.210 1.00 0.00 H ATOM 1391 N ASP A 82 -2.165 11.792 -13.838 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.918 12.058 -14.551 1.00 0.00 C ATOM 1393 C ASP A 82 0.197 11.114 -14.118 1.00 0.00 C ATOM 1394 O ASP A 82 0.849 10.497 -14.964 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.487 13.510 -14.344 1.00 0.00 C ATOM 1396 CG ASP A 82 0.656 13.905 -15.251 1.00 0.00 C ATOM 1397 OD1 ASP A 82 0.471 13.874 -16.485 1.00 0.00 O ATOM 1398 OD2 ASP A 82 1.738 14.257 -14.737 1.00 0.00 O ATOM 1399 H ASP A 82 -2.537 12.481 -13.243 1.00 0.00 H ATOM 1400 HA ASP A 82 -1.100 11.889 -15.603 1.00 0.00 H ATOM 1401 HB2 ASP A 82 -1.325 14.158 -14.550 1.00 0.00 H ATOM 1402 HB3 ASP A 82 -0.176 13.642 -13.321 1.00 0.00 H ATOM 1403 N LEU A 83 0.425 10.994 -12.812 1.00 0.00 N ATOM 1404 CA LEU A 83 1.472 10.109 -12.306 1.00 0.00 C ATOM 1405 C LEU A 83 1.159 8.678 -12.721 1.00 0.00 C ATOM 1406 O LEU A 83 2.005 7.970 -13.248 1.00 0.00 O ATOM 1407 CB LEU A 83 1.568 10.198 -10.775 1.00 0.00 C ATOM 1408 CG LEU A 83 2.982 10.123 -10.163 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.693 8.823 -10.521 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.811 11.315 -10.606 1.00 0.00 C ATOM 1411 H LEU A 83 -0.121 11.512 -12.170 1.00 0.00 H ATOM 1412 HA LEU A 83 2.409 10.414 -12.749 1.00 0.00 H ATOM 1413 HB2 LEU A 83 1.117 11.128 -10.466 1.00 0.00 H ATOM 1414 HB3 LEU A 83 0.985 9.386 -10.367 1.00 0.00 H ATOM 1415 HG LEU A 83 2.893 10.160 -9.091 1.00 0.00 H ATOM 1416 HD11 LEU A 83 2.974 8.101 -10.866 1.00 0.00 H ATOM 1417 HD12 LEU A 83 4.206 8.434 -9.650 1.00 0.00 H ATOM 1418 HD13 LEU A 83 4.410 9.015 -11.302 1.00 0.00 H ATOM 1419 HD21 LEU A 83 3.849 11.338 -11.685 1.00 0.00 H ATOM 1420 HD22 LEU A 83 4.819 11.231 -10.210 1.00 0.00 H ATOM 1421 HD23 LEU A 83 3.360 12.228 -10.247 1.00 0.00 H ATOM 1422 N ALA A 84 -0.082 8.276 -12.501 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.536 6.940 -12.869 1.00 0.00 C ATOM 1424 C ALA A 84 -0.370 6.692 -14.370 1.00 0.00 C ATOM 1425 O ALA A 84 -0.019 5.591 -14.780 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.982 6.750 -12.452 1.00 0.00 C ATOM 1427 H ALA A 84 -0.717 8.902 -12.088 1.00 0.00 H ATOM 1428 HA ALA A 84 0.076 6.213 -12.334 1.00 0.00 H ATOM 1429 HB1 ALA A 84 -2.234 5.700 -12.487 1.00 0.00 H ATOM 1430 HB2 ALA A 84 -2.623 7.295 -13.126 1.00 0.00 H ATOM 1431 HB3 ALA A 84 -2.119 7.121 -11.446 1.00 0.00 H ATOM 1432 N ALA A 85 -0.592 7.719 -15.193 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.422 7.577 -16.642 1.00 0.00 C ATOM 1434 C ALA A 85 1.036 7.301 -16.944 1.00 0.00 C ATOM 1435 O ALA A 85 1.367 6.500 -17.819 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.912 8.818 -17.378 1.00 0.00 C ATOM 1437 H ALA A 85 -0.856 8.593 -14.823 1.00 0.00 H ATOM 1438 HA ALA A 85 -1.007 6.724 -16.966 1.00 0.00 H ATOM 1439 HB1 ALA A 85 -0.137 9.170 -18.048 1.00 0.00 H ATOM 1440 HB2 ALA A 85 -1.148 9.591 -16.661 1.00 0.00 H ATOM 1441 HB3 ALA A 85 -1.795 8.570 -17.947 1.00 0.00 H ATOM 1442 N LEU A 86 1.906 7.933 -16.170 1.00 0.00 N ATOM 1443 CA LEU A 86 3.342 7.727 -16.301 1.00 0.00 C ATOM 1444 C LEU A 86 3.698 6.265 -16.001 1.00 0.00 C ATOM 1445 O LEU A 86 4.753 5.771 -16.404 1.00 0.00 O ATOM 1446 CB LEU A 86 4.097 8.628 -15.320 1.00 0.00 C ATOM 1447 CG LEU A 86 4.127 10.107 -15.667 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.509 10.938 -14.455 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.105 10.343 -16.794 1.00 0.00 C ATOM 1450 H LEU A 86 1.566 8.541 -15.461 1.00 0.00 H ATOM 1451 HA LEU A 86 3.630 7.975 -17.312 1.00 0.00 H ATOM 1452 HB2 LEU A 86 3.638 8.516 -14.348 1.00 0.00 H ATOM 1453 HB3 LEU A 86 5.114 8.275 -15.258 1.00 0.00 H ATOM 1454 HG LEU A 86 3.149 10.422 -15.997 1.00 0.00 H ATOM 1455 HD11 LEU A 86 5.372 11.549 -14.692 1.00 0.00 H ATOM 1456 HD12 LEU A 86 4.751 10.286 -13.629 1.00 0.00 H ATOM 1457 HD13 LEU A 86 3.675 11.573 -14.185 1.00 0.00 H ATOM 1458 HD21 LEU A 86 4.972 9.583 -17.546 1.00 0.00 H ATOM 1459 HD22 LEU A 86 6.116 10.294 -16.410 1.00 0.00 H ATOM 1460 HD23 LEU A 86 4.930 11.318 -17.223 1.00 0.00 H ATOM 1461 N LEU A 87 2.815 5.600 -15.261 1.00 0.00 N ATOM 1462 CA LEU A 87 3.014 4.214 -14.860 1.00 0.00 C ATOM 1463 C LEU A 87 2.205 3.256 -15.739 1.00 0.00 C ATOM 1464 O LEU A 87 2.449 2.049 -15.738 1.00 0.00 O ATOM 1465 CB LEU A 87 2.560 4.017 -13.415 1.00 0.00 C ATOM 1466 CG LEU A 87 2.677 5.220 -12.486 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.359 4.798 -11.063 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.064 5.836 -12.552 1.00 0.00 C ATOM 1469 H LEU A 87 2.011 6.065 -14.951 1.00 0.00 H ATOM 1470 HA LEU A 87 4.064 3.984 -14.933 1.00 0.00 H ATOM 1471 HB2 LEU A 87 1.537 3.702 -13.435 1.00 0.00 H ATOM 1472 HB3 LEU A 87 3.130 3.225 -12.987 1.00 0.00 H ATOM 1473 HG LEU A 87 1.959 5.972 -12.782 1.00 0.00 H ATOM 1474 HD11 LEU A 87 1.759 3.902 -11.077 1.00 0.00 H ATOM 1475 HD12 LEU A 87 1.824 5.591 -10.560 1.00 0.00 H ATOM 1476 HD13 LEU A 87 3.280 4.597 -10.535 1.00 0.00 H ATOM 1477 HD21 LEU A 87 4.164 6.416 -13.461 1.00 0.00 H ATOM 1478 HD22 LEU A 87 4.807 5.050 -12.549 1.00 0.00 H ATOM 1479 HD23 LEU A 87 4.218 6.473 -11.692 1.00 0.00 H ATOM 1480 N HIS A 88 1.221 3.803 -16.456 1.00 0.00 N ATOM 1481 CA HIS A 88 0.332 3.022 -17.319 1.00 0.00 C ATOM 1482 C HIS A 88 1.122 2.214 -18.340 1.00 0.00 C ATOM 1483 O HIS A 88 0.648 1.194 -18.840 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.645 3.951 -18.048 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.854 3.254 -18.582 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.718 3.828 -19.482 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.352 2.026 -18.320 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.692 2.983 -19.750 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.494 1.882 -19.057 1.00 0.00 N ATOM 1490 H HIS A 88 1.072 4.763 -16.382 1.00 0.00 H ATOM 1491 HA HIS A 88 -0.233 2.343 -16.692 1.00 0.00 H ATOM 1492 HB2 HIS A 88 -0.972 4.720 -17.364 1.00 0.00 H ATOM 1493 HB3 HIS A 88 -0.131 4.414 -18.877 1.00 0.00 H ATOM 1494 HD1 HIS A 88 -2.613 4.730 -19.889 1.00 0.00 H ATOM 1495 HD2 HIS A 88 -1.931 1.298 -17.635 1.00 0.00 H ATOM 1496 HE1 HIS A 88 -4.513 3.161 -20.419 1.00 0.00 H ATOM 1497 HE2 HIS A 88 -3.939 1.029 -19.230 1.00 0.00 H ATOM 1498 N ASP A 89 2.330 2.668 -18.629 1.00 0.00 N ATOM 1499 CA ASP A 89 3.200 1.978 -19.583 1.00 0.00 C ATOM 1500 C ASP A 89 3.462 0.554 -19.104 1.00 0.00 C ATOM 1501 O ASP A 89 3.451 -0.394 -19.883 1.00 0.00 O ATOM 1502 CB ASP A 89 4.528 2.722 -19.754 1.00 0.00 C ATOM 1503 CG ASP A 89 5.408 2.114 -20.833 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.871 0.967 -20.674 1.00 0.00 O ATOM 1505 OD2 ASP A 89 5.641 2.782 -21.860 1.00 0.00 O ATOM 1506 H ASP A 89 2.649 3.478 -18.176 1.00 0.00 H ATOM 1507 HA ASP A 89 2.688 1.941 -20.537 1.00 0.00 H ATOM 1508 HB2 ASP A 89 4.327 3.749 -20.020 1.00 0.00 H ATOM 1509 HB3 ASP A 89 5.069 2.695 -18.818 1.00 0.00 H ATOM 1510 N GLY A 90 3.678 0.420 -17.801 1.00 0.00 N ATOM 1511 CA GLY A 90 3.925 -0.878 -17.223 1.00 0.00 C ATOM 1512 C GLY A 90 2.645 -1.622 -16.894 1.00 0.00 C ATOM 1513 O GLY A 90 2.649 -2.844 -16.790 1.00 0.00 O ATOM 1514 H GLY A 90 3.660 1.216 -17.226 1.00 0.00 H ATOM 1515 HA2 GLY A 90 4.500 -1.465 -17.924 1.00 0.00 H ATOM 1516 HA3 GLY A 90 4.500 -0.756 -16.315 1.00 0.00 H ATOM 1517 N ILE A 91 1.543 -0.890 -16.720 1.00 0.00 N ATOM 1518 CA ILE A 91 0.266 -1.511 -16.406 1.00 0.00 C ATOM 1519 C ILE A 91 -0.380 -2.065 -17.682 1.00 0.00 C ATOM 1520 O ILE A 91 -0.722 -1.310 -18.587 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.693 -0.503 -15.725 1.00 0.00 C ATOM 1522 CG1 ILE A 91 0.036 0.313 -14.644 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -1.884 -1.227 -15.131 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.834 -0.518 -13.668 1.00 0.00 C ATOM 1525 H ILE A 91 1.589 0.085 -16.810 1.00 0.00 H ATOM 1526 HA ILE A 91 0.446 -2.327 -15.723 1.00 0.00 H ATOM 1527 HB ILE A 91 -1.063 0.173 -16.482 1.00 0.00 H ATOM 1528 HG12 ILE A 91 0.723 0.995 -15.126 1.00 0.00 H ATOM 1529 HG13 ILE A 91 -0.689 0.881 -14.079 1.00 0.00 H ATOM 1530 HG21 ILE A 91 -1.821 -1.216 -14.050 1.00 0.00 H ATOM 1531 HG22 ILE A 91 -1.893 -2.249 -15.479 1.00 0.00 H ATOM 1532 HG23 ILE A 91 -2.790 -0.732 -15.445 1.00 0.00 H ATOM 1533 HD11 ILE A 91 1.888 -0.437 -13.914 1.00 0.00 H ATOM 1534 HD12 ILE A 91 0.523 -1.551 -13.733 1.00 0.00 H ATOM 1535 HD13 ILE A 91 0.671 -0.154 -12.663 1.00 0.00 H ATOM 1536 N PRO A 92 -0.506 -3.396 -17.791 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.064 -4.053 -18.982 1.00 0.00 C ATOM 1538 C PRO A 92 -2.598 -4.066 -19.047 1.00 0.00 C ATOM 1539 O PRO A 92 -3.197 -4.922 -19.703 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.527 -5.477 -18.844 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.427 -5.702 -17.371 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.070 -4.373 -16.775 1.00 0.00 C ATOM 1543 HA PRO A 92 -0.673 -3.609 -19.886 1.00 0.00 H ATOM 1544 HB2 PRO A 92 -1.214 -6.169 -19.310 1.00 0.00 H ATOM 1545 HB3 PRO A 92 0.440 -5.546 -19.321 1.00 0.00 H ATOM 1546 HG2 PRO A 92 -1.373 -6.046 -16.982 1.00 0.00 H ATOM 1547 HG3 PRO A 92 0.351 -6.426 -17.161 1.00 0.00 H ATOM 1548 HD2 PRO A 92 -0.595 -4.221 -15.844 1.00 0.00 H ATOM 1549 HD3 PRO A 92 0.995 -4.309 -16.623 1.00 0.00 H ATOM 1550 N VAL A 93 -3.241 -3.126 -18.374 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.699 -3.061 -18.385 1.00 0.00 C ATOM 1552 C VAL A 93 -5.192 -1.642 -18.645 1.00 0.00 C ATOM 1553 O VAL A 93 -4.473 -0.667 -18.415 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.323 -3.567 -17.057 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -4.932 -5.008 -16.775 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -4.937 -2.670 -15.886 1.00 0.00 C ATOM 1557 H VAL A 93 -2.729 -2.460 -17.869 1.00 0.00 H ATOM 1558 HA VAL A 93 -5.052 -3.699 -19.185 1.00 0.00 H ATOM 1559 HB VAL A 93 -6.398 -3.532 -17.161 1.00 0.00 H ATOM 1560 HG11 VAL A 93 -3.874 -5.141 -16.959 1.00 0.00 H ATOM 1561 HG12 VAL A 93 -5.496 -5.667 -17.419 1.00 0.00 H ATOM 1562 HG13 VAL A 93 -5.151 -5.242 -15.741 1.00 0.00 H ATOM 1563 HG21 VAL A 93 -4.850 -3.271 -14.986 1.00 0.00 H ATOM 1564 HG22 VAL A 93 -5.703 -1.918 -15.747 1.00 0.00 H ATOM 1565 HG23 VAL A 93 -3.987 -2.187 -16.095 1.00 0.00 H ATOM 1566 N VAL A 94 -6.428 -1.540 -19.104 1.00 0.00 N ATOM 1567 CA VAL A 94 -7.050 -0.257 -19.371 1.00 0.00 C ATOM 1568 C VAL A 94 -8.359 -0.192 -18.588 1.00 0.00 C ATOM 1569 O VAL A 94 -9.452 -0.288 -19.157 1.00 0.00 O ATOM 1570 CB VAL A 94 -7.324 -0.038 -20.878 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -7.699 1.408 -21.165 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -6.126 -0.454 -21.720 1.00 0.00 C ATOM 1573 H VAL A 94 -6.953 -2.359 -19.251 1.00 0.00 H ATOM 1574 HA VAL A 94 -6.383 0.519 -19.018 1.00 0.00 H ATOM 1575 HB VAL A 94 -8.162 -0.661 -21.156 1.00 0.00 H ATOM 1576 HG11 VAL A 94 -7.182 1.744 -22.054 1.00 0.00 H ATOM 1577 HG12 VAL A 94 -7.415 2.032 -20.328 1.00 0.00 H ATOM 1578 HG13 VAL A 94 -8.766 1.478 -21.324 1.00 0.00 H ATOM 1579 HG21 VAL A 94 -5.213 -0.253 -21.178 1.00 0.00 H ATOM 1580 HG22 VAL A 94 -6.126 0.104 -22.641 1.00 0.00 H ATOM 1581 HG23 VAL A 94 -6.190 -1.510 -21.938 1.00 0.00 H ATOM 1582 N SER A 95 -8.212 -0.095 -17.268 1.00 0.00 N ATOM 1583 CA SER A 95 -9.331 -0.071 -16.325 1.00 0.00 C ATOM 1584 C SER A 95 -9.883 -1.487 -16.130 1.00 0.00 C ATOM 1585 O SER A 95 -9.706 -2.081 -15.063 1.00 0.00 O ATOM 1586 CB SER A 95 -10.445 0.890 -16.758 1.00 0.00 C ATOM 1587 OG SER A 95 -11.466 0.955 -15.771 1.00 0.00 O ATOM 1588 H SER A 95 -7.295 -0.063 -16.903 1.00 0.00 H ATOM 1589 HA SER A 95 -8.935 0.266 -15.376 1.00 0.00 H ATOM 1590 HB2 SER A 95 -10.031 1.879 -16.901 1.00 0.00 H ATOM 1591 HB3 SER A 95 -10.876 0.542 -17.682 1.00 0.00 H ATOM 1592 HG SER A 95 -12.221 1.469 -16.110 1.00 0.00 H ATOM 1593 N SER A 96 -10.545 -2.018 -17.160 1.00 0.00 N ATOM 1594 CA SER A 96 -11.127 -3.362 -17.116 1.00 0.00 C ATOM 1595 C SER A 96 -12.211 -3.458 -16.040 1.00 0.00 C ATOM 1596 O SER A 96 -12.524 -4.545 -15.551 1.00 0.00 O ATOM 1597 CB SER A 96 -10.042 -4.422 -16.867 1.00 0.00 C ATOM 1598 OG SER A 96 -8.987 -4.319 -17.811 1.00 0.00 O ATOM 1599 H SER A 96 -10.649 -1.486 -17.983 1.00 0.00 H ATOM 1600 HA SER A 96 -11.581 -3.549 -18.081 1.00 0.00 H ATOM 1601 HB2 SER A 96 -9.630 -4.294 -15.880 1.00 0.00 H ATOM 1602 HB3 SER A 96 -10.485 -5.402 -16.943 1.00 0.00 H ATOM 1603 HG SER A 96 -9.193 -3.627 -18.458 1.00 0.00 H ATOM 1604 N SER A 97 -12.779 -2.317 -15.677 1.00 0.00 N ATOM 1605 CA SER A 97 -13.819 -2.264 -14.664 1.00 0.00 C ATOM 1606 C SER A 97 -15.118 -1.732 -15.257 1.00 0.00 C ATOM 1607 O SER A 97 -15.288 -1.827 -16.491 1.00 0.00 O ATOM 1608 CB SER A 97 -13.359 -1.378 -13.502 1.00 0.00 C ATOM 1609 OG SER A 97 -12.131 -1.842 -12.949 1.00 0.00 O ATOM 1610 OXT SER A 97 -15.957 -1.216 -14.492 1.00 0.00 O ATOM 1611 H SER A 97 -12.490 -1.484 -16.109 1.00 0.00 H ATOM 1612 HA SER A 97 -13.986 -3.261 -14.302 1.00 0.00 H ATOM 1613 HB2 SER A 97 -13.220 -0.368 -13.858 1.00 0.00 H ATOM 1614 HB3 SER A 97 -14.110 -1.385 -12.726 1.00 0.00 H ATOM 1615 HG SER A 97 -12.091 -2.810 -13.009 1.00 0.00 H TER 1616 SER A 97