HEADER CARRIER PROTEIN 24-OCT-02 1O78 TITLE BIOTIN CARBOXYL CARRIER DOMAIN OF TRANSCARBOXYLASE (1.3S) TITLE 2 [10-48] DELETION MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: BIOTIN CARBOXYL CARRIER PROTEIN OF METHYLMALONYL- COMPND 3 COA CARBOXYL-TRANSFERASE; COMPND 4 CHAIN: A; COMPND 5 SYNONYM: TRANSCARBOXYLASE, 1.3S SUBUNIT; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: RESIDUES 10-48 DELETION MUTANT SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII SOURCE 3 SUBSP. SHERMANII; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PTAC1.3DELTA10-48, PCY216 KEYWDS TRANSCARBOXYLASE,CARBOXYL CARRIER, TRANSFERASE EXPDTA NMR, 20 STRUCTURES AUTHOR M.M.JANK,J.D.SADOWSKY,C.PEIKERT,S.BERGER REVDAT 1 21-NOV-02 1O78 0 JRNL AUTH M.M.JANK,J.D.SADOWSKY,C.PEIKERT,S.BERGER JRNL TITL NMR STUDIES ON THE SOLUTION STRUCTURE OF A JRNL TITL 2 DELETION MUTANT OF THE TRANSCARBOXYLASE BIOTIN JRNL TITL 3 CARRIER SUBUNIT. JRNL REF INT.J.BIOL.MACROMOL. V. 30 233 2002 JRNL REFN ASTM IJBMDR UK ISSN 0141-8130 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.V.REDDY,B.C.SHENOY,P.R.CAREY,F.D.SONNICHSEN REMARK 1 TITL HIGH RESOLUTION SOLUTION STRUCTURE OF THE 1.3S REMARK 1 TITL 2 SUBUNIT OF TRANSCARBOXYLASE FROM PROPIONIBACTERIUM REMARK 1 TITL 3 SHERMANII(DAGGER) REMARK 1 REF BIOCHEMISTRY V. 39 2509 2000 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.M.JANK,S.BOKORNY,K.-H.ROEHM,S.BERGER REMARK 1 TITL EXPRESSION AND BIOTINYLATION OF A MUTANT OF THE REMARK 1 TITL 2 TRANSCARBOXYLASE CARRIER PROTEIN FROM PROPIONI REMARK 1 TITL 3 SHERMANII REMARK 1 REF PROTEIN EXPRESSION PURIF. V. 17 123 1999 REMARK 1 REFN ASTM PEXPEJ US ISSN 1046-5928 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER NUMBER OF NON-HYDROGEN ATOMS USED IN REMARK 3 REFINEMENT. PROTEIN ATOMS : 604 NUCLEIC ACID REMARK 3 ATOMS : 0 HETEROGEN ATOMS : 0 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: DGSA, REFINEMENT WITH NOES AND REMARK 3 HYDROGEN-BOND CONSTRAINTS REMARK 4 REMARK 4 1O78 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 3.101 (2007-05-31) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI. REMARK 100 THE EBI ID CODE IS EBI-11596. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : 2 MM AMMONIUM ACETATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 2.3 MM PROTEIN, N15/C13 REMARK 210 LABELED TC 1.3S [10-48], REMARK 210 BIOTIN (UNLABELED) COVALENTLY REMARK 210 ATTACHED TO LYS 89 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N-HSQC-NOESY, HNCA, HNCO, REMARK 210 CBCANH, CBCA(CO)NH, HN(CA)CO, REMARK 210 HCACO, HN-HSQC-TOCSY, REMARK 210 HBHA(CBCACO)NH, (H)N(CA)NNH, REMARK 210 HCCH-TOCSY, 2D 15N-1H HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR, PROCHECK 3.5.3, AQUA REMARK 210 2.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY/ SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 600 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 3 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C, 15N-LABELED PROTEIN. BIOTIN WAS UNLABELED REMARK 210 AND NOT INCLUDED IN THE STRUCTURE CALCULATION. 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: 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 THR A 6 159.55 59.06 REMARK 500 1 GLU A 33 145.68 59.77 REMARK 500 2 VAL A 74 164.41 56.44 REMARK 500 3 GLU A 33 155.65 59.82 REMARK 500 4 VAL A 5 137.72 61.14 REMARK 500 5 LYS A 12 -88.42 55.24 REMARK 500 5 MET A 49 -83.29 59.04 REMARK 500 5 THR A 53 -74.74 61.00 REMARK 500 5 ALA A 73 142.82 61.82 REMARK 500 6 GLU A 70 143.45 61.27 REMARK 500 7 VAL A 7 160.90 57.75 REMARK 500 8 THR A 53 -83.80 56.81 REMARK 500 9 LYS A 2 -72.62 62.94 REMARK 500 9 GLU A 33 142.32 61.21 REMARK 500 10 THR A 53 -92.28 52.10 REMARK 500 11 LYS A 4 -88.92 54.91 REMARK 500 11 THR A 53 -64.99 65.70 REMARK 500 12 GLU A 70 135.79 61.61 REMARK 500 12 VAL A 74 139.71 60.86 REMARK 500 13 GLU A 70 135.94 61.97 REMARK 500 14 LYS A 4 155.11 59.94 REMARK 500 14 LEU A 22 127.96 61.52 REMARK 500 14 GLU A 52 -92.48 54.08 REMARK 500 14 THR A 53 -89.78 51.67 REMARK 500 15 GLU A 33 157.62 59.85 REMARK 500 16 GLU A 70 132.39 61.95 REMARK 500 17 MET A 51 -85.67 57.04 REMARK 500 17 GLU A 52 -77.15 62.86 REMARK 500 17 THR A 53 -92.92 44.77 REMARK 500 17 ARG A 71 -42.63 74.09 REMARK 500 18 VAL A 7 151.11 60.05 REMARK 500 18 MET A 51 -63.28 65.58 REMARK 500 18 GLU A 52 -65.15 67.76 REMARK 500 18 THR A 53 -103.46 52.45 REMARK 500 19 LYS A 12 164.92 57.38 REMARK 500 20 THR A 53 -59.96 66.84 DBREF 1O78 A 1 9 UNP P02904 BCCP_PROFR 1 9 DBREF 1O78 A 10 84 UNP P02904 BCCP_PROFR 49 123 SEQRES 1 A 84 MET LYS LEU LYS VAL THR VAL ASN GLY ALA GLY LYS ALA SEQRES 2 A 84 GLY GLU GLY GLU ILE PRO ALA PRO LEU ALA GLY THR VAL SEQRES 3 A 84 SER LYS ILE LEU VAL LYS GLU GLY ASP THR VAL LYS ALA SEQRES 4 A 84 GLY GLN THR VAL LEU VAL LEU GLU ALA MET LYS MET GLU SEQRES 5 A 84 THR GLU ILE ASN ALA PRO THR ASP GLY LYS VAL GLU LYS SEQRES 6 A 84 VAL LEU VAL LYS GLU ARG ASP ALA VAL GLN GLY GLY GLN SEQRES 7 A 84 GLY LEU ILE LYS ILE GLY SHEET 1 AA 3 LYS A 28 ILE A 29 0 SHEET 2 AA 3 THR A 42 VAL A 45 -1 N VAL A 45 O LYS A 28 SHEET 3 AA 3 ILE A 55 ASN A 56 -1 O ILE A 55 N VAL A 43 SHEET 1 AB 3 THR A 36 VAL A 37 0 SHEET 2 AB 3 GLY A 61 VAL A 66 -1 O GLY A 61 N VAL A 37 SHEET 3 AB 3 ILE A 81 ILE A 83 -1 O LYS A 82 N GLU A 64 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N MET A 1 6.666 -13.497 29.597 1.00 0.00 N ATOM 2 CA MET A 1 6.365 -13.566 28.138 1.00 0.00 C ATOM 3 C MET A 1 5.979 -12.180 27.612 1.00 0.00 C ATOM 4 O MET A 1 6.689 -11.584 26.827 1.00 0.00 O ATOM 5 CB MET A 1 5.185 -14.532 28.024 1.00 0.00 C ATOM 6 CG MET A 1 5.703 -15.971 28.000 1.00 0.00 C ATOM 7 SD MET A 1 5.671 -16.597 26.303 1.00 0.00 S ATOM 8 CE MET A 1 7.360 -17.247 26.269 1.00 0.00 C ATOM 9 H2 MET A 1 5.796 -13.279 30.122 1.00 0.00 H ATOM 10 HA MET A 1 7.212 -13.954 27.596 1.00 0.00 H ATOM 11 HB2 MET A 1 4.528 -14.399 28.870 1.00 0.00 H ATOM 12 HB3 MET A 1 4.643 -14.331 27.112 1.00 0.00 H ATOM 13 HG2 MET A 1 6.716 -15.995 28.374 1.00 0.00 H ATOM 14 HG3 MET A 1 5.075 -16.590 28.624 1.00 0.00 H ATOM 15 HE1 MET A 1 7.749 -17.287 27.277 1.00 0.00 H ATOM 16 HE2 MET A 1 7.354 -18.239 25.840 1.00 0.00 H ATOM 17 HE3 MET A 1 7.983 -16.601 25.671 1.00 0.00 H ATOM 18 H1 MET A 1 7.369 -12.751 29.771 1.00 0.00 H ATOM 19 H3 MET A 1 7.044 -14.413 29.916 1.00 0.00 H ATOM 20 N LYS A 2 4.858 -11.665 28.037 1.00 0.00 N ATOM 21 CA LYS A 2 4.429 -10.318 27.560 1.00 0.00 C ATOM 22 C LYS A 2 3.732 -9.555 28.688 1.00 0.00 C ATOM 23 O LYS A 2 3.401 -10.112 29.716 1.00 0.00 O ATOM 24 CB LYS A 2 3.451 -10.595 26.415 1.00 0.00 C ATOM 25 CG LYS A 2 2.329 -11.509 26.910 1.00 0.00 C ATOM 26 CD LYS A 2 2.573 -12.933 26.408 1.00 0.00 C ATOM 27 CE LYS A 2 1.649 -13.223 25.223 1.00 0.00 C ATOM 28 NZ LYS A 2 2.081 -14.556 24.717 1.00 0.00 N ATOM 29 H LYS A 2 4.299 -12.162 28.670 1.00 0.00 H ATOM 30 HA LYS A 2 5.276 -9.761 27.194 1.00 0.00 H ATOM 31 HB2 LYS A 2 3.031 -9.661 26.069 1.00 0.00 H ATOM 32 HB3 LYS A 2 3.974 -11.078 25.604 1.00 0.00 H ATOM 33 HG2 LYS A 2 2.309 -11.505 27.990 1.00 0.00 H ATOM 34 HG3 LYS A 2 1.382 -11.153 26.532 1.00 0.00 H ATOM 35 HD2 LYS A 2 3.603 -13.032 26.095 1.00 0.00 H ATOM 36 HD3 LYS A 2 2.369 -13.635 27.202 1.00 0.00 H ATOM 37 HE2 LYS A 2 0.619 -13.258 25.551 1.00 0.00 H ATOM 38 HE3 LYS A 2 1.775 -12.477 24.454 1.00 0.00 H ATOM 39 HZ1 LYS A 2 3.104 -14.541 24.529 1.00 0.00 H ATOM 40 HZ2 LYS A 2 1.868 -15.283 25.430 1.00 0.00 H ATOM 41 HZ3 LYS A 2 1.573 -14.773 23.835 1.00 0.00 H ATOM 42 N LEU A 3 3.509 -8.283 28.507 1.00 0.00 N ATOM 43 CA LEU A 3 2.834 -7.484 29.571 1.00 0.00 C ATOM 44 C LEU A 3 1.794 -6.549 28.952 1.00 0.00 C ATOM 45 O LEU A 3 1.889 -6.175 27.799 1.00 0.00 O ATOM 46 CB LEU A 3 3.954 -6.680 30.230 1.00 0.00 C ATOM 47 CG LEU A 3 4.410 -7.389 31.506 1.00 0.00 C ATOM 48 CD1 LEU A 3 5.861 -7.011 31.809 1.00 0.00 C ATOM 49 CD2 LEU A 3 3.516 -6.964 32.672 1.00 0.00 C ATOM 50 H LEU A 3 3.785 -7.851 27.670 1.00 0.00 H ATOM 51 HA LEU A 3 2.374 -8.136 30.296 1.00 0.00 H ATOM 52 HB2 LEU A 3 4.788 -6.596 29.547 1.00 0.00 H ATOM 53 HB3 LEU A 3 3.592 -5.694 30.479 1.00 0.00 H ATOM 54 HG LEU A 3 4.338 -8.458 31.368 1.00 0.00 H ATOM 55 HD11 LEU A 3 5.975 -5.939 31.743 1.00 0.00 H ATOM 56 HD12 LEU A 3 6.119 -7.340 32.804 1.00 0.00 H ATOM 57 HD13 LEU A 3 6.514 -7.487 31.092 1.00 0.00 H ATOM 58 HD21 LEU A 3 3.375 -5.894 32.647 1.00 0.00 H ATOM 59 HD22 LEU A 3 2.557 -7.456 32.589 1.00 0.00 H ATOM 60 HD23 LEU A 3 3.984 -7.243 33.605 1.00 0.00 H ATOM 61 N LYS A 4 0.801 -6.167 29.708 1.00 0.00 N ATOM 62 CA LYS A 4 -0.243 -5.254 29.161 1.00 0.00 C ATOM 63 C LYS A 4 -0.308 -3.969 29.989 1.00 0.00 C ATOM 64 O LYS A 4 -0.559 -3.996 31.177 1.00 0.00 O ATOM 65 CB LYS A 4 -1.551 -6.036 29.280 1.00 0.00 C ATOM 66 CG LYS A 4 -2.664 -5.284 28.547 1.00 0.00 C ATOM 67 CD LYS A 4 -3.962 -5.381 29.351 1.00 0.00 C ATOM 68 CE LYS A 4 -3.921 -4.383 30.511 1.00 0.00 C ATOM 69 NZ LYS A 4 -5.141 -4.676 31.313 1.00 0.00 N ATOM 70 H LYS A 4 0.743 -6.480 30.635 1.00 0.00 H ATOM 71 HA LYS A 4 -0.041 -5.029 28.126 1.00 0.00 H ATOM 72 HB2 LYS A 4 -1.427 -7.015 28.841 1.00 0.00 H ATOM 73 HB3 LYS A 4 -1.816 -6.140 30.322 1.00 0.00 H ATOM 74 HG2 LYS A 4 -2.384 -4.246 28.438 1.00 0.00 H ATOM 75 HG3 LYS A 4 -2.814 -5.721 27.572 1.00 0.00 H ATOM 76 HD2 LYS A 4 -4.800 -5.152 28.708 1.00 0.00 H ATOM 77 HD3 LYS A 4 -4.071 -6.381 29.742 1.00 0.00 H ATOM 78 HE2 LYS A 4 -3.031 -4.537 31.106 1.00 0.00 H ATOM 79 HE3 LYS A 4 -3.957 -3.371 30.138 1.00 0.00 H ATOM 80 HZ1 LYS A 4 -5.965 -4.738 30.681 1.00 0.00 H ATOM 81 HZ2 LYS A 4 -5.021 -5.580 31.811 1.00 0.00 H ATOM 82 HZ3 LYS A 4 -5.290 -3.915 32.006 1.00 0.00 H ATOM 83 N VAL A 5 -0.084 -2.841 29.369 1.00 0.00 N ATOM 84 CA VAL A 5 -0.135 -1.554 30.121 1.00 0.00 C ATOM 85 C VAL A 5 -0.997 -0.539 29.367 1.00 0.00 C ATOM 86 O VAL A 5 -0.695 0.637 29.327 1.00 0.00 O ATOM 87 CB VAL A 5 1.317 -1.076 30.191 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.156 -2.104 30.952 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.870 -0.914 28.773 1.00 0.00 C ATOM 90 H VAL A 5 0.115 -2.840 28.411 1.00 0.00 H ATOM 91 HA VAL A 5 -0.519 -1.712 31.116 1.00 0.00 H ATOM 92 HB VAL A 5 1.358 -0.127 30.704 1.00 0.00 H ATOM 93 HG11 VAL A 5 2.016 -3.080 30.513 1.00 0.00 H ATOM 94 HG12 VAL A 5 3.200 -1.830 30.894 1.00 0.00 H ATOM 95 HG13 VAL A 5 1.848 -2.125 31.986 1.00 0.00 H ATOM 96 HG21 VAL A 5 1.050 -0.835 28.074 1.00 0.00 H ATOM 97 HG22 VAL A 5 2.474 -0.020 28.723 1.00 0.00 H ATOM 98 HG23 VAL A 5 2.475 -1.772 28.523 1.00 0.00 H ATOM 99 N THR A 6 -2.070 -0.986 28.767 1.00 0.00 N ATOM 100 CA THR A 6 -2.957 -0.052 28.009 1.00 0.00 C ATOM 101 C THR A 6 -2.165 0.635 26.892 1.00 0.00 C ATOM 102 O THR A 6 -0.952 0.696 26.923 1.00 0.00 O ATOM 103 CB THR A 6 -3.444 0.975 29.038 1.00 0.00 C ATOM 104 OG1 THR A 6 -3.549 0.355 30.312 1.00 0.00 O ATOM 105 CG2 THR A 6 -4.812 1.514 28.616 1.00 0.00 C ATOM 106 H THR A 6 -2.292 -1.940 28.814 1.00 0.00 H ATOM 107 HA THR A 6 -3.799 -0.587 27.597 1.00 0.00 H ATOM 108 HB THR A 6 -2.741 1.792 29.090 1.00 0.00 H ATOM 109 HG1 THR A 6 -4.139 -0.397 30.227 1.00 0.00 H ATOM 110 HG21 THR A 6 -4.792 1.764 27.566 1.00 0.00 H ATOM 111 HG22 THR A 6 -5.565 0.761 28.794 1.00 0.00 H ATOM 112 HG23 THR A 6 -5.043 2.398 29.192 1.00 0.00 H ATOM 113 N VAL A 7 -2.842 1.150 25.902 1.00 0.00 N ATOM 114 CA VAL A 7 -2.123 1.830 24.785 1.00 0.00 C ATOM 115 C VAL A 7 -2.855 3.115 24.392 1.00 0.00 C ATOM 116 O VAL A 7 -3.427 3.214 23.324 1.00 0.00 O ATOM 117 CB VAL A 7 -2.144 0.826 23.630 1.00 0.00 C ATOM 118 CG1 VAL A 7 -1.329 1.380 22.460 1.00 0.00 C ATOM 119 CG2 VAL A 7 -1.537 -0.499 24.093 1.00 0.00 C ATOM 120 H VAL A 7 -3.819 1.090 25.892 1.00 0.00 H ATOM 121 HA VAL A 7 -1.105 2.046 25.067 1.00 0.00 H ATOM 122 HB VAL A 7 -3.164 0.664 23.313 1.00 0.00 H ATOM 123 HG11 VAL A 7 -1.684 2.369 22.208 1.00 0.00 H ATOM 124 HG12 VAL A 7 -0.287 1.432 22.739 1.00 0.00 H ATOM 125 HG13 VAL A 7 -1.440 0.730 21.604 1.00 0.00 H ATOM 126 HG21 VAL A 7 -0.633 -0.306 24.652 1.00 0.00 H ATOM 127 HG22 VAL A 7 -2.244 -1.019 24.722 1.00 0.00 H ATOM 128 HG23 VAL A 7 -1.304 -1.108 23.232 1.00 0.00 H ATOM 129 N ASN A 8 -2.842 4.100 25.247 1.00 0.00 N ATOM 130 CA ASN A 8 -3.538 5.379 24.922 1.00 0.00 C ATOM 131 C ASN A 8 -2.514 6.497 24.705 1.00 0.00 C ATOM 132 O ASN A 8 -1.605 6.680 25.491 1.00 0.00 O ATOM 133 CB ASN A 8 -4.409 5.677 26.143 1.00 0.00 C ATOM 134 CG ASN A 8 -5.415 6.776 25.798 1.00 0.00 C ATOM 135 OD1 ASN A 8 -5.894 6.849 24.683 1.00 0.00 O ATOM 136 ND2 ASN A 8 -5.760 7.639 26.714 1.00 0.00 N ATOM 137 H ASN A 8 -2.376 4.001 26.103 1.00 0.00 H ATOM 138 HA ASN A 8 -4.157 5.259 24.047 1.00 0.00 H ATOM 139 HB2 ASN A 8 -4.938 4.781 26.434 1.00 0.00 H ATOM 140 HB3 ASN A 8 -3.785 6.007 26.959 1.00 0.00 H ATOM 141 HD21 ASN A 8 -5.374 7.579 27.613 1.00 0.00 H ATOM 142 HD22 ASN A 8 -6.404 8.347 26.503 1.00 0.00 H ATOM 143 N GLY A 9 -2.652 7.244 23.645 1.00 0.00 N ATOM 144 CA GLY A 9 -1.686 8.348 23.381 1.00 0.00 C ATOM 145 C GLY A 9 -1.185 8.255 21.938 1.00 0.00 C ATOM 146 O GLY A 9 -0.843 9.247 21.325 1.00 0.00 O ATOM 147 H GLY A 9 -3.392 7.081 23.023 1.00 0.00 H ATOM 148 HA2 GLY A 9 -2.176 9.299 23.533 1.00 0.00 H ATOM 149 HA3 GLY A 9 -0.848 8.262 24.055 1.00 0.00 H ATOM 150 N ALA A 10 -1.139 7.071 21.391 1.00 0.00 N ATOM 151 CA ALA A 10 -0.659 6.917 19.988 1.00 0.00 C ATOM 152 C ALA A 10 -1.245 5.647 19.365 1.00 0.00 C ATOM 153 O ALA A 10 -2.087 4.991 19.945 1.00 0.00 O ATOM 154 CB ALA A 10 0.863 6.807 20.099 1.00 0.00 C ATOM 155 H ALA A 10 -1.419 6.284 21.902 1.00 0.00 H ATOM 156 HA ALA A 10 -0.923 7.781 19.401 1.00 0.00 H ATOM 157 HB1 ALA A 10 1.325 7.526 19.439 1.00 0.00 H ATOM 158 HB2 ALA A 10 1.165 7.007 21.116 1.00 0.00 H ATOM 159 HB3 ALA A 10 1.174 5.811 19.820 1.00 0.00 H ATOM 160 N GLY A 11 -0.807 5.296 18.187 1.00 0.00 N ATOM 161 CA GLY A 11 -1.341 4.071 17.528 1.00 0.00 C ATOM 162 C GLY A 11 -0.225 3.033 17.400 1.00 0.00 C ATOM 163 O GLY A 11 0.441 2.700 18.360 1.00 0.00 O ATOM 164 H GLY A 11 -0.128 5.840 17.734 1.00 0.00 H ATOM 165 HA2 GLY A 11 -2.146 3.665 18.124 1.00 0.00 H ATOM 166 HA3 GLY A 11 -1.709 4.321 16.546 1.00 0.00 H ATOM 167 N LYS A 12 -0.015 2.518 16.220 1.00 0.00 N ATOM 168 CA LYS A 12 1.058 1.500 16.030 1.00 0.00 C ATOM 169 C LYS A 12 1.880 1.826 14.780 1.00 0.00 C ATOM 170 O LYS A 12 2.431 0.951 14.143 1.00 0.00 O ATOM 171 CB LYS A 12 0.318 0.173 15.854 1.00 0.00 C ATOM 172 CG LYS A 12 -0.298 -0.251 17.190 1.00 0.00 C ATOM 173 CD LYS A 12 -1.615 -0.988 16.934 1.00 0.00 C ATOM 174 CE LYS A 12 -2.774 0.010 16.958 1.00 0.00 C ATOM 175 NZ LYS A 12 -4.004 -0.830 16.993 1.00 0.00 N ATOM 176 H LYS A 12 -0.564 2.799 15.458 1.00 0.00 H ATOM 177 HA LYS A 12 1.694 1.456 16.900 1.00 0.00 H ATOM 178 HB2 LYS A 12 -0.463 0.292 15.118 1.00 0.00 H ATOM 179 HB3 LYS A 12 1.012 -0.585 15.525 1.00 0.00 H ATOM 180 HG2 LYS A 12 0.387 -0.905 17.711 1.00 0.00 H ATOM 181 HG3 LYS A 12 -0.490 0.624 17.793 1.00 0.00 H ATOM 182 HD2 LYS A 12 -1.574 -1.470 15.967 1.00 0.00 H ATOM 183 HD3 LYS A 12 -1.766 -1.732 17.700 1.00 0.00 H ATOM 184 HE2 LYS A 12 -2.714 0.632 17.841 1.00 0.00 H ATOM 185 HE3 LYS A 12 -2.767 0.618 16.066 1.00 0.00 H ATOM 186 HZ1 LYS A 12 -3.916 -1.542 17.745 1.00 0.00 H ATOM 187 HZ2 LYS A 12 -4.830 -0.228 17.184 1.00 0.00 H ATOM 188 HZ3 LYS A 12 -4.126 -1.305 16.076 1.00 0.00 H ATOM 189 N ALA A 13 1.967 3.079 14.425 1.00 0.00 N ATOM 190 CA ALA A 13 2.753 3.457 13.215 1.00 0.00 C ATOM 191 C ALA A 13 4.192 2.950 13.340 1.00 0.00 C ATOM 192 O ALA A 13 4.899 3.280 14.272 1.00 0.00 O ATOM 193 CB ALA A 13 2.722 4.985 13.184 1.00 0.00 C ATOM 194 H ALA A 13 1.514 3.771 14.951 1.00 0.00 H ATOM 195 HA ALA A 13 2.290 3.061 12.325 1.00 0.00 H ATOM 196 HB1 ALA A 13 3.550 5.375 13.759 1.00 0.00 H ATOM 197 HB2 ALA A 13 2.803 5.327 12.162 1.00 0.00 H ATOM 198 HB3 ALA A 13 1.794 5.336 13.608 1.00 0.00 H ATOM 199 N GLY A 14 4.633 2.151 12.407 1.00 0.00 N ATOM 200 CA GLY A 14 6.025 1.623 12.472 1.00 0.00 C ATOM 201 C GLY A 14 6.976 2.604 11.782 1.00 0.00 C ATOM 202 O GLY A 14 6.940 3.793 12.027 1.00 0.00 O ATOM 203 H GLY A 14 4.047 1.897 11.664 1.00 0.00 H ATOM 204 HA2 GLY A 14 6.317 1.504 13.507 1.00 0.00 H ATOM 205 HA3 GLY A 14 6.073 0.668 11.971 1.00 0.00 H ATOM 206 N GLU A 15 7.825 2.116 10.919 1.00 0.00 N ATOM 207 CA GLU A 15 8.777 3.024 10.214 1.00 0.00 C ATOM 208 C GLU A 15 8.649 2.853 8.697 1.00 0.00 C ATOM 209 O GLU A 15 9.086 1.867 8.135 1.00 0.00 O ATOM 210 CB GLU A 15 10.165 2.591 10.688 1.00 0.00 C ATOM 211 CG GLU A 15 11.186 3.669 10.324 1.00 0.00 C ATOM 212 CD GLU A 15 12.513 3.008 9.942 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.473 2.020 9.228 1.00 0.00 O ATOM 214 OE2 GLU A 15 13.543 3.501 10.369 1.00 0.00 O ATOM 215 H GLU A 15 7.839 1.153 10.734 1.00 0.00 H ATOM 216 HA GLU A 15 8.595 4.049 10.494 1.00 0.00 H ATOM 217 HB2 GLU A 15 10.152 2.452 11.760 1.00 0.00 H ATOM 218 HB3 GLU A 15 10.436 1.663 10.208 1.00 0.00 H ATOM 219 HG2 GLU A 15 10.818 4.247 9.489 1.00 0.00 H ATOM 220 HG3 GLU A 15 11.343 4.319 11.172 1.00 0.00 H ATOM 221 N GLY A 16 8.057 3.806 8.031 1.00 0.00 N ATOM 222 CA GLY A 16 7.904 3.698 6.551 1.00 0.00 C ATOM 223 C GLY A 16 6.422 3.779 6.181 1.00 0.00 C ATOM 224 O GLY A 16 6.061 4.258 5.125 1.00 0.00 O ATOM 225 H GLY A 16 7.713 4.593 8.502 1.00 0.00 H ATOM 226 HA2 GLY A 16 8.441 4.505 6.075 1.00 0.00 H ATOM 227 HA3 GLY A 16 8.304 2.753 6.216 1.00 0.00 H ATOM 228 N GLU A 17 5.561 3.309 7.041 1.00 0.00 N ATOM 229 CA GLU A 17 4.101 3.355 6.738 1.00 0.00 C ATOM 230 C GLU A 17 3.674 4.777 6.349 1.00 0.00 C ATOM 231 O GLU A 17 4.415 5.727 6.511 1.00 0.00 O ATOM 232 CB GLU A 17 3.407 2.893 8.035 1.00 0.00 C ATOM 233 CG GLU A 17 3.367 4.026 9.073 1.00 0.00 C ATOM 234 CD GLU A 17 4.791 4.447 9.438 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.597 3.571 9.705 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.053 5.638 9.444 1.00 0.00 O ATOM 237 H GLU A 17 5.874 2.923 7.886 1.00 0.00 H ATOM 238 HA GLU A 17 3.868 2.668 5.940 1.00 0.00 H ATOM 239 HB2 GLU A 17 2.397 2.587 7.805 1.00 0.00 H ATOM 240 HB3 GLU A 17 3.948 2.054 8.446 1.00 0.00 H ATOM 241 HG2 GLU A 17 2.837 4.872 8.660 1.00 0.00 H ATOM 242 HG3 GLU A 17 2.857 3.682 9.960 1.00 0.00 H ATOM 243 N ILE A 18 2.481 4.928 5.842 1.00 0.00 N ATOM 244 CA ILE A 18 2.001 6.283 5.449 1.00 0.00 C ATOM 245 C ILE A 18 0.693 6.605 6.184 1.00 0.00 C ATOM 246 O ILE A 18 -0.348 6.080 5.842 1.00 0.00 O ATOM 247 CB ILE A 18 1.763 6.196 3.942 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.053 5.756 3.246 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.343 7.568 3.411 1.00 0.00 C ATOM 250 CD1 ILE A 18 2.832 4.401 2.568 1.00 0.00 C ATOM 251 H ILE A 18 1.898 4.149 5.724 1.00 0.00 H ATOM 252 HA ILE A 18 2.753 7.027 5.661 1.00 0.00 H ATOM 253 HB ILE A 18 0.980 5.478 3.742 1.00 0.00 H ATOM 254 HG12 ILE A 18 3.330 6.489 2.503 1.00 0.00 H ATOM 255 HG13 ILE A 18 3.843 5.665 3.976 1.00 0.00 H ATOM 256 HG21 ILE A 18 1.955 8.332 3.867 1.00 0.00 H ATOM 257 HG22 ILE A 18 1.473 7.594 2.339 1.00 0.00 H ATOM 258 HG23 ILE A 18 0.305 7.745 3.653 1.00 0.00 H ATOM 259 HD11 ILE A 18 1.957 4.453 1.936 1.00 0.00 H ATOM 260 HD12 ILE A 18 3.695 4.153 1.970 1.00 0.00 H ATOM 261 HD13 ILE A 18 2.686 3.641 3.322 1.00 0.00 H ATOM 262 N PRO A 19 0.784 7.457 7.178 1.00 0.00 N ATOM 263 CA PRO A 19 -0.420 7.835 7.962 1.00 0.00 C ATOM 264 C PRO A 19 -1.356 8.713 7.129 1.00 0.00 C ATOM 265 O PRO A 19 -0.924 9.584 6.401 1.00 0.00 O ATOM 266 CB PRO A 19 0.150 8.613 9.146 1.00 0.00 C ATOM 267 CG PRO A 19 1.466 9.135 8.666 1.00 0.00 C ATOM 268 CD PRO A 19 1.991 8.143 7.662 1.00 0.00 C ATOM 269 HA PRO A 19 -0.934 6.956 8.313 1.00 0.00 H ATOM 270 HB2 PRO A 19 -0.509 9.429 9.409 1.00 0.00 H ATOM 271 HB3 PRO A 19 0.298 7.958 9.991 1.00 0.00 H ATOM 272 HG2 PRO A 19 1.331 10.102 8.199 1.00 0.00 H ATOM 273 HG3 PRO A 19 2.155 9.216 9.491 1.00 0.00 H ATOM 274 HD2 PRO A 19 2.492 8.655 6.851 1.00 0.00 H ATOM 275 HD3 PRO A 19 2.654 7.437 8.135 1.00 0.00 H ATOM 276 N ALA A 20 -2.638 8.489 7.235 1.00 0.00 N ATOM 277 CA ALA A 20 -3.607 9.310 6.452 1.00 0.00 C ATOM 278 C ALA A 20 -3.642 10.747 6.988 1.00 0.00 C ATOM 279 O ALA A 20 -3.020 11.047 7.988 1.00 0.00 O ATOM 280 CB ALA A 20 -4.959 8.629 6.658 1.00 0.00 C ATOM 281 H ALA A 20 -2.963 7.780 7.831 1.00 0.00 H ATOM 282 HA ALA A 20 -3.347 9.304 5.405 1.00 0.00 H ATOM 283 HB1 ALA A 20 -5.688 9.361 6.972 1.00 0.00 H ATOM 284 HB2 ALA A 20 -5.280 8.176 5.732 1.00 0.00 H ATOM 285 HB3 ALA A 20 -4.866 7.866 7.418 1.00 0.00 H ATOM 286 N PRO A 21 -4.374 11.595 6.303 1.00 0.00 N ATOM 287 CA PRO A 21 -4.485 13.012 6.728 1.00 0.00 C ATOM 288 C PRO A 21 -5.385 13.130 7.961 1.00 0.00 C ATOM 289 O PRO A 21 -5.006 13.696 8.966 1.00 0.00 O ATOM 290 CB PRO A 21 -5.123 13.700 5.523 1.00 0.00 C ATOM 291 CG PRO A 21 -5.868 12.619 4.806 1.00 0.00 C ATOM 292 CD PRO A 21 -5.156 11.320 5.089 1.00 0.00 C ATOM 293 HA PRO A 21 -3.512 13.432 6.921 1.00 0.00 H ATOM 294 HB2 PRO A 21 -5.802 14.474 5.851 1.00 0.00 H ATOM 295 HB3 PRO A 21 -4.363 14.112 4.879 1.00 0.00 H ATOM 296 HG2 PRO A 21 -6.886 12.571 5.170 1.00 0.00 H ATOM 297 HG3 PRO A 21 -5.865 12.810 3.745 1.00 0.00 H ATOM 298 HD2 PRO A 21 -5.872 10.529 5.266 1.00 0.00 H ATOM 299 HD3 PRO A 21 -4.499 11.063 4.274 1.00 0.00 H ATOM 300 N LEU A 22 -6.574 12.599 7.890 1.00 0.00 N ATOM 301 CA LEU A 22 -7.497 12.680 9.058 1.00 0.00 C ATOM 302 C LEU A 22 -8.457 11.489 9.056 1.00 0.00 C ATOM 303 O LEU A 22 -8.634 10.821 10.056 1.00 0.00 O ATOM 304 CB LEU A 22 -8.264 13.989 8.866 1.00 0.00 C ATOM 305 CG LEU A 22 -7.678 15.061 9.785 1.00 0.00 C ATOM 306 CD1 LEU A 22 -8.378 16.396 9.524 1.00 0.00 C ATOM 307 CD2 LEU A 22 -7.888 14.651 11.244 1.00 0.00 C ATOM 308 H LEU A 22 -6.861 12.147 7.069 1.00 0.00 H ATOM 309 HA LEU A 22 -6.937 12.713 9.978 1.00 0.00 H ATOM 310 HB2 LEU A 22 -8.178 14.309 7.837 1.00 0.00 H ATOM 311 HB3 LEU A 22 -9.304 13.836 9.111 1.00 0.00 H ATOM 312 HG LEU A 22 -6.621 15.165 9.589 1.00 0.00 H ATOM 313 HD11 LEU A 22 -8.753 16.414 8.511 1.00 0.00 H ATOM 314 HD12 LEU A 22 -9.201 16.512 10.215 1.00 0.00 H ATOM 315 HD13 LEU A 22 -7.675 17.204 9.663 1.00 0.00 H ATOM 316 HD21 LEU A 22 -8.183 13.613 11.287 1.00 0.00 H ATOM 317 HD22 LEU A 22 -6.969 14.787 11.793 1.00 0.00 H ATOM 318 HD23 LEU A 22 -8.663 15.263 11.683 1.00 0.00 H ATOM 319 N ALA A 23 -9.080 11.217 7.942 1.00 0.00 N ATOM 320 CA ALA A 23 -10.028 10.068 7.879 1.00 0.00 C ATOM 321 C ALA A 23 -10.539 9.885 6.447 1.00 0.00 C ATOM 322 O ALA A 23 -10.201 10.642 5.557 1.00 0.00 O ATOM 323 CB ALA A 23 -11.177 10.451 8.812 1.00 0.00 C ATOM 324 H ALA A 23 -8.923 11.768 7.147 1.00 0.00 H ATOM 325 HA ALA A 23 -9.552 9.166 8.229 1.00 0.00 H ATOM 326 HB1 ALA A 23 -12.101 10.473 8.254 1.00 0.00 H ATOM 327 HB2 ALA A 23 -10.988 11.426 9.236 1.00 0.00 H ATOM 328 HB3 ALA A 23 -11.254 9.722 9.605 1.00 0.00 H ATOM 329 N GLY A 24 -11.349 8.889 6.218 1.00 0.00 N ATOM 330 CA GLY A 24 -11.880 8.665 4.844 1.00 0.00 C ATOM 331 C GLY A 24 -12.749 7.406 4.827 1.00 0.00 C ATOM 332 O GLY A 24 -13.057 6.840 5.856 1.00 0.00 O ATOM 333 H GLY A 24 -11.611 8.291 6.949 1.00 0.00 H ATOM 334 HA2 GLY A 24 -12.474 9.516 4.545 1.00 0.00 H ATOM 335 HA3 GLY A 24 -11.058 8.539 4.156 1.00 0.00 H ATOM 336 N THR A 25 -13.147 6.965 3.665 1.00 0.00 N ATOM 337 CA THR A 25 -13.997 5.742 3.581 1.00 0.00 C ATOM 338 C THR A 25 -13.377 4.729 2.615 1.00 0.00 C ATOM 339 O THR A 25 -13.433 4.891 1.412 1.00 0.00 O ATOM 340 CB THR A 25 -15.343 6.235 3.046 1.00 0.00 C ATOM 341 OG1 THR A 25 -15.625 7.517 3.590 1.00 0.00 O ATOM 342 CG2 THR A 25 -16.446 5.255 3.445 1.00 0.00 C ATOM 343 H THR A 25 -12.887 7.438 2.847 1.00 0.00 H ATOM 344 HA THR A 25 -14.127 5.304 4.557 1.00 0.00 H ATOM 345 HB THR A 25 -15.300 6.303 1.970 1.00 0.00 H ATOM 346 HG1 THR A 25 -15.301 8.178 2.974 1.00 0.00 H ATOM 347 HG21 THR A 25 -16.059 4.247 3.424 1.00 0.00 H ATOM 348 HG22 THR A 25 -16.790 5.486 4.443 1.00 0.00 H ATOM 349 HG23 THR A 25 -17.270 5.338 2.753 1.00 0.00 H ATOM 350 N VAL A 26 -12.784 3.688 3.129 1.00 0.00 N ATOM 351 CA VAL A 26 -12.162 2.669 2.236 1.00 0.00 C ATOM 352 C VAL A 26 -13.198 2.132 1.245 1.00 0.00 C ATOM 353 O VAL A 26 -14.386 2.163 1.495 1.00 0.00 O ATOM 354 CB VAL A 26 -11.689 1.553 3.166 1.00 0.00 C ATOM 355 CG1 VAL A 26 -11.033 0.445 2.339 1.00 0.00 C ATOM 356 CG2 VAL A 26 -10.673 2.113 4.162 1.00 0.00 C ATOM 357 H VAL A 26 -12.748 3.574 4.103 1.00 0.00 H ATOM 358 HA VAL A 26 -11.320 3.092 1.710 1.00 0.00 H ATOM 359 HB VAL A 26 -12.535 1.148 3.702 1.00 0.00 H ATOM 360 HG11 VAL A 26 -10.330 0.883 1.645 1.00 0.00 H ATOM 361 HG12 VAL A 26 -10.512 -0.234 2.997 1.00 0.00 H ATOM 362 HG13 VAL A 26 -11.791 -0.094 1.792 1.00 0.00 H ATOM 363 HG21 VAL A 26 -10.791 3.184 4.234 1.00 0.00 H ATOM 364 HG22 VAL A 26 -10.839 1.668 5.133 1.00 0.00 H ATOM 365 HG23 VAL A 26 -9.674 1.882 3.826 1.00 0.00 H ATOM 366 N SER A 27 -12.754 1.636 0.124 1.00 0.00 N ATOM 367 CA SER A 27 -13.709 1.092 -0.882 1.00 0.00 C ATOM 368 C SER A 27 -13.288 -0.322 -1.287 1.00 0.00 C ATOM 369 O SER A 27 -14.108 -1.206 -1.444 1.00 0.00 O ATOM 370 CB SER A 27 -13.614 2.043 -2.075 1.00 0.00 C ATOM 371 OG SER A 27 -14.416 3.189 -1.827 1.00 0.00 O ATOM 372 H SER A 27 -11.790 1.618 -0.056 1.00 0.00 H ATOM 373 HA SER A 27 -14.714 1.090 -0.489 1.00 0.00 H ATOM 374 HB2 SER A 27 -12.590 2.349 -2.212 1.00 0.00 H ATOM 375 HB3 SER A 27 -13.957 1.535 -2.966 1.00 0.00 H ATOM 376 HG SER A 27 -15.333 2.951 -1.993 1.00 0.00 H ATOM 377 N LYS A 28 -12.013 -0.543 -1.454 1.00 0.00 N ATOM 378 CA LYS A 28 -11.533 -1.899 -1.846 1.00 0.00 C ATOM 379 C LYS A 28 -10.003 -1.938 -1.832 1.00 0.00 C ATOM 380 O LYS A 28 -9.345 -1.051 -2.340 1.00 0.00 O ATOM 381 CB LYS A 28 -12.066 -2.117 -3.261 1.00 0.00 C ATOM 382 CG LYS A 28 -12.643 -3.529 -3.377 1.00 0.00 C ATOM 383 CD LYS A 28 -13.487 -3.636 -4.650 1.00 0.00 C ATOM 384 CE LYS A 28 -14.835 -2.947 -4.427 1.00 0.00 C ATOM 385 NZ LYS A 28 -15.242 -2.451 -5.772 1.00 0.00 N ATOM 386 H LYS A 28 -11.370 0.184 -1.320 1.00 0.00 H ATOM 387 HA LYS A 28 -11.935 -2.647 -1.180 1.00 0.00 H ATOM 388 HB2 LYS A 28 -12.841 -1.392 -3.470 1.00 0.00 H ATOM 389 HB3 LYS A 28 -11.263 -2.000 -3.972 1.00 0.00 H ATOM 390 HG2 LYS A 28 -11.836 -4.246 -3.417 1.00 0.00 H ATOM 391 HG3 LYS A 28 -13.265 -3.736 -2.518 1.00 0.00 H ATOM 392 HD2 LYS A 28 -12.967 -3.159 -5.467 1.00 0.00 H ATOM 393 HD3 LYS A 28 -13.652 -4.677 -4.885 1.00 0.00 H ATOM 394 HE2 LYS A 28 -15.561 -3.655 -4.050 1.00 0.00 H ATOM 395 HE3 LYS A 28 -14.727 -2.118 -3.745 1.00 0.00 H ATOM 396 HZ1 LYS A 28 -15.063 -3.190 -6.483 1.00 0.00 H ATOM 397 HZ2 LYS A 28 -16.254 -2.216 -5.764 1.00 0.00 H ATOM 398 HZ3 LYS A 28 -14.693 -1.600 -6.008 1.00 0.00 H ATOM 399 N ILE A 29 -9.430 -2.957 -1.253 1.00 0.00 N ATOM 400 CA ILE A 29 -7.943 -3.049 -1.204 1.00 0.00 C ATOM 401 C ILE A 29 -7.431 -3.968 -2.316 1.00 0.00 C ATOM 402 O ILE A 29 -8.112 -4.882 -2.742 1.00 0.00 O ATOM 403 CB ILE A 29 -7.630 -3.641 0.169 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.116 -3.804 0.321 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.303 -5.008 0.302 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.784 -4.150 1.774 1.00 0.00 C ATOM 407 H ILE A 29 -9.978 -3.661 -0.847 1.00 0.00 H ATOM 408 HA ILE A 29 -7.501 -2.069 -1.293 1.00 0.00 H ATOM 409 HB ILE A 29 -8.002 -2.980 0.939 1.00 0.00 H ATOM 410 HG12 ILE A 29 -5.773 -4.597 -0.327 1.00 0.00 H ATOM 411 HG13 ILE A 29 -5.626 -2.880 0.052 1.00 0.00 H ATOM 412 HG21 ILE A 29 -8.645 -5.336 -0.667 1.00 0.00 H ATOM 413 HG22 ILE A 29 -7.593 -5.722 0.694 1.00 0.00 H ATOM 414 HG23 ILE A 29 -9.145 -4.932 0.975 1.00 0.00 H ATOM 415 HD11 ILE A 29 -6.348 -5.020 2.074 1.00 0.00 H ATOM 416 HD12 ILE A 29 -4.728 -4.357 1.862 1.00 0.00 H ATOM 417 HD13 ILE A 29 -6.043 -3.316 2.411 1.00 0.00 H ATOM 418 N LEU A 30 -6.239 -3.734 -2.791 1.00 0.00 N ATOM 419 CA LEU A 30 -5.685 -4.594 -3.876 1.00 0.00 C ATOM 420 C LEU A 30 -4.604 -5.524 -3.318 1.00 0.00 C ATOM 421 O LEU A 30 -4.704 -6.731 -3.410 1.00 0.00 O ATOM 422 CB LEU A 30 -5.081 -3.617 -4.886 1.00 0.00 C ATOM 423 CG LEU A 30 -6.117 -3.288 -5.962 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.512 -4.570 -6.698 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.355 -2.673 -5.306 1.00 0.00 C ATOM 426 H LEU A 30 -5.707 -2.992 -2.433 1.00 0.00 H ATOM 427 HA LEU A 30 -6.472 -5.166 -4.340 1.00 0.00 H ATOM 428 HB2 LEU A 30 -4.788 -2.710 -4.379 1.00 0.00 H ATOM 429 HB3 LEU A 30 -4.215 -4.067 -5.349 1.00 0.00 H ATOM 430 HG LEU A 30 -5.697 -2.585 -6.665 1.00 0.00 H ATOM 431 HD11 LEU A 30 -5.997 -5.411 -6.258 1.00 0.00 H ATOM 432 HD12 LEU A 30 -7.580 -4.719 -6.617 1.00 0.00 H ATOM 433 HD13 LEU A 30 -6.239 -4.486 -7.740 1.00 0.00 H ATOM 434 HD21 LEU A 30 -7.059 -2.122 -4.426 1.00 0.00 H ATOM 435 HD22 LEU A 30 -7.838 -2.005 -6.003 1.00 0.00 H ATOM 436 HD23 LEU A 30 -8.041 -3.458 -5.024 1.00 0.00 H ATOM 437 N VAL A 31 -3.571 -4.972 -2.743 1.00 0.00 N ATOM 438 CA VAL A 31 -2.487 -5.829 -2.184 1.00 0.00 C ATOM 439 C VAL A 31 -2.983 -6.560 -0.933 1.00 0.00 C ATOM 440 O VAL A 31 -3.843 -6.081 -0.221 1.00 0.00 O ATOM 441 CB VAL A 31 -1.359 -4.862 -1.827 1.00 0.00 C ATOM 442 CG1 VAL A 31 -0.201 -5.639 -1.198 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.871 -4.159 -3.096 1.00 0.00 C ATOM 444 H VAL A 31 -3.508 -3.996 -2.679 1.00 0.00 H ATOM 445 HA VAL A 31 -2.147 -6.536 -2.924 1.00 0.00 H ATOM 446 HB VAL A 31 -1.723 -4.126 -1.124 1.00 0.00 H ATOM 447 HG11 VAL A 31 -0.240 -6.668 -1.524 1.00 0.00 H ATOM 448 HG12 VAL A 31 0.736 -5.199 -1.505 1.00 0.00 H ATOM 449 HG13 VAL A 31 -0.283 -5.600 -0.123 1.00 0.00 H ATOM 450 HG21 VAL A 31 -0.726 -4.888 -3.879 1.00 0.00 H ATOM 451 HG22 VAL A 31 -1.606 -3.433 -3.411 1.00 0.00 H ATOM 452 HG23 VAL A 31 0.065 -3.658 -2.892 1.00 0.00 H ATOM 453 N LYS A 32 -2.446 -7.718 -0.664 1.00 0.00 N ATOM 454 CA LYS A 32 -2.884 -8.483 0.539 1.00 0.00 C ATOM 455 C LYS A 32 -1.705 -8.671 1.497 1.00 0.00 C ATOM 456 O LYS A 32 -1.508 -9.735 2.048 1.00 0.00 O ATOM 457 CB LYS A 32 -3.355 -9.833 -0.003 1.00 0.00 C ATOM 458 CG LYS A 32 -4.874 -9.808 -0.186 1.00 0.00 C ATOM 459 CD LYS A 32 -5.243 -10.498 -1.500 1.00 0.00 C ATOM 460 CE LYS A 32 -6.066 -9.542 -2.366 1.00 0.00 C ATOM 461 NZ LYS A 32 -6.643 -10.396 -3.441 1.00 0.00 N ATOM 462 H LYS A 32 -1.755 -8.086 -1.253 1.00 0.00 H ATOM 463 HA LYS A 32 -3.698 -7.978 1.034 1.00 0.00 H ATOM 464 HB2 LYS A 32 -2.882 -10.023 -0.956 1.00 0.00 H ATOM 465 HB3 LYS A 32 -3.092 -10.613 0.693 1.00 0.00 H ATOM 466 HG2 LYS A 32 -5.344 -10.327 0.638 1.00 0.00 H ATOM 467 HG3 LYS A 32 -5.218 -8.785 -0.209 1.00 0.00 H ATOM 468 HD2 LYS A 32 -4.342 -10.776 -2.026 1.00 0.00 H ATOM 469 HD3 LYS A 32 -5.826 -11.383 -1.292 1.00 0.00 H ATOM 470 HE2 LYS A 32 -6.854 -9.088 -1.779 1.00 0.00 H ATOM 471 HE3 LYS A 32 -5.432 -8.783 -2.797 1.00 0.00 H ATOM 472 HZ1 LYS A 32 -6.980 -11.290 -3.031 1.00 0.00 H ATOM 473 HZ2 LYS A 32 -7.438 -9.898 -3.891 1.00 0.00 H ATOM 474 HZ3 LYS A 32 -5.913 -10.598 -4.153 1.00 0.00 H ATOM 475 N GLU A 33 -0.921 -7.639 1.693 1.00 0.00 N ATOM 476 CA GLU A 33 0.259 -7.730 2.609 1.00 0.00 C ATOM 477 C GLU A 33 1.233 -8.810 2.131 1.00 0.00 C ATOM 478 O GLU A 33 0.843 -9.824 1.589 1.00 0.00 O ATOM 479 CB GLU A 33 -0.308 -8.087 3.987 1.00 0.00 C ATOM 480 CG GLU A 33 0.830 -8.121 5.009 1.00 0.00 C ATOM 481 CD GLU A 33 1.413 -9.534 5.079 1.00 0.00 C ATOM 482 OE1 GLU A 33 0.712 -10.462 4.710 1.00 0.00 O ATOM 483 OE2 GLU A 33 2.550 -9.665 5.502 1.00 0.00 O ATOM 484 H GLU A 33 -1.109 -6.797 1.230 1.00 0.00 H ATOM 485 HA GLU A 33 0.762 -6.778 2.660 1.00 0.00 H ATOM 486 HB2 GLU A 33 -1.034 -7.344 4.280 1.00 0.00 H ATOM 487 HB3 GLU A 33 -0.780 -9.056 3.948 1.00 0.00 H ATOM 488 HG2 GLU A 33 1.603 -7.427 4.710 1.00 0.00 H ATOM 489 HG3 GLU A 33 0.451 -7.841 5.980 1.00 0.00 H ATOM 490 N GLY A 34 2.505 -8.593 2.323 1.00 0.00 N ATOM 491 CA GLY A 34 3.508 -9.600 1.876 1.00 0.00 C ATOM 492 C GLY A 34 3.472 -9.713 0.350 1.00 0.00 C ATOM 493 O GLY A 34 3.915 -10.691 -0.219 1.00 0.00 O ATOM 494 H GLY A 34 2.801 -7.764 2.757 1.00 0.00 H ATOM 495 HA2 GLY A 34 4.494 -9.289 2.193 1.00 0.00 H ATOM 496 HA3 GLY A 34 3.275 -10.560 2.311 1.00 0.00 H ATOM 497 N ASP A 35 2.951 -8.719 -0.317 1.00 0.00 N ATOM 498 CA ASP A 35 2.891 -8.769 -1.805 1.00 0.00 C ATOM 499 C ASP A 35 3.765 -7.665 -2.400 1.00 0.00 C ATOM 500 O ASP A 35 3.756 -6.539 -1.943 1.00 0.00 O ATOM 501 CB ASP A 35 1.421 -8.534 -2.150 1.00 0.00 C ATOM 502 CG ASP A 35 0.845 -9.785 -2.814 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.679 -10.776 -2.122 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.580 -9.732 -4.003 1.00 0.00 O ATOM 505 H ASP A 35 2.602 -7.937 0.159 1.00 0.00 H ATOM 506 HA ASP A 35 3.205 -9.737 -2.164 1.00 0.00 H ATOM 507 HB2 ASP A 35 0.870 -8.316 -1.246 1.00 0.00 H ATOM 508 HB3 ASP A 35 1.341 -7.699 -2.830 1.00 0.00 H ATOM 509 N THR A 36 4.520 -7.976 -3.415 1.00 0.00 N ATOM 510 CA THR A 36 5.392 -6.940 -4.036 1.00 0.00 C ATOM 511 C THR A 36 4.541 -5.934 -4.815 1.00 0.00 C ATOM 512 O THR A 36 3.417 -6.211 -5.184 1.00 0.00 O ATOM 513 CB THR A 36 6.314 -7.713 -4.980 1.00 0.00 C ATOM 514 OG1 THR A 36 6.647 -8.964 -4.395 1.00 0.00 O ATOM 515 CG2 THR A 36 7.590 -6.905 -5.223 1.00 0.00 C ATOM 516 H THR A 36 4.513 -8.889 -3.770 1.00 0.00 H ATOM 517 HA THR A 36 5.973 -6.436 -3.279 1.00 0.00 H ATOM 518 HB THR A 36 5.812 -7.877 -5.920 1.00 0.00 H ATOM 519 HG1 THR A 36 7.013 -8.798 -3.523 1.00 0.00 H ATOM 520 HG21 THR A 36 7.415 -5.871 -4.967 1.00 0.00 H ATOM 521 HG22 THR A 36 8.387 -7.298 -4.611 1.00 0.00 H ATOM 522 HG23 THR A 36 7.867 -6.975 -6.264 1.00 0.00 H ATOM 523 N VAL A 37 5.068 -4.769 -5.069 1.00 0.00 N ATOM 524 CA VAL A 37 4.288 -3.747 -5.824 1.00 0.00 C ATOM 525 C VAL A 37 5.225 -2.895 -6.683 1.00 0.00 C ATOM 526 O VAL A 37 6.427 -2.904 -6.507 1.00 0.00 O ATOM 527 CB VAL A 37 3.619 -2.889 -4.750 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.693 -2.237 -3.877 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.774 -1.801 -5.418 1.00 0.00 C ATOM 530 H VAL A 37 5.977 -4.565 -4.763 1.00 0.00 H ATOM 531 HA VAL A 37 3.539 -4.221 -6.437 1.00 0.00 H ATOM 532 HB VAL A 37 2.985 -3.511 -4.136 1.00 0.00 H ATOM 533 HG11 VAL A 37 5.650 -2.694 -4.081 1.00 0.00 H ATOM 534 HG12 VAL A 37 4.744 -1.180 -4.098 1.00 0.00 H ATOM 535 HG13 VAL A 37 4.442 -2.375 -2.835 1.00 0.00 H ATOM 536 HG21 VAL A 37 2.085 -2.257 -6.113 1.00 0.00 H ATOM 537 HG22 VAL A 37 2.222 -1.261 -4.665 1.00 0.00 H ATOM 538 HG23 VAL A 37 3.422 -1.119 -5.949 1.00 0.00 H ATOM 539 N LYS A 38 4.683 -2.157 -7.612 1.00 0.00 N ATOM 540 CA LYS A 38 5.540 -1.303 -8.481 1.00 0.00 C ATOM 541 C LYS A 38 5.103 0.161 -8.376 1.00 0.00 C ATOM 542 O LYS A 38 4.146 0.484 -7.698 1.00 0.00 O ATOM 543 CB LYS A 38 5.318 -1.831 -9.900 1.00 0.00 C ATOM 544 CG LYS A 38 6.190 -3.069 -10.126 1.00 0.00 C ATOM 545 CD LYS A 38 5.581 -3.931 -11.234 1.00 0.00 C ATOM 546 CE LYS A 38 6.482 -3.887 -12.470 1.00 0.00 C ATOM 547 NZ LYS A 38 7.262 -5.155 -12.422 1.00 0.00 N ATOM 548 H LYS A 38 3.710 -2.162 -7.737 1.00 0.00 H ATOM 549 HA LYS A 38 6.579 -1.409 -8.206 1.00 0.00 H ATOM 550 HB2 LYS A 38 4.279 -2.093 -10.027 1.00 0.00 H ATOM 551 HB3 LYS A 38 5.589 -1.068 -10.614 1.00 0.00 H ATOM 552 HG2 LYS A 38 7.184 -2.761 -10.413 1.00 0.00 H ATOM 553 HG3 LYS A 38 6.241 -3.644 -9.213 1.00 0.00 H ATOM 554 HD2 LYS A 38 5.491 -4.951 -10.888 1.00 0.00 H ATOM 555 HD3 LYS A 38 4.603 -3.550 -11.490 1.00 0.00 H ATOM 556 HE2 LYS A 38 5.883 -3.844 -13.370 1.00 0.00 H ATOM 557 HE3 LYS A 38 7.150 -3.041 -12.420 1.00 0.00 H ATOM 558 HZ1 LYS A 38 6.626 -5.945 -12.195 1.00 0.00 H ATOM 559 HZ2 LYS A 38 7.708 -5.322 -13.348 1.00 0.00 H ATOM 560 HZ3 LYS A 38 7.997 -5.084 -11.691 1.00 0.00 H ATOM 561 N ALA A 39 5.795 1.048 -9.036 1.00 0.00 N ATOM 562 CA ALA A 39 5.414 2.488 -8.970 1.00 0.00 C ATOM 563 C ALA A 39 4.165 2.745 -9.818 1.00 0.00 C ATOM 564 O ALA A 39 4.227 2.809 -11.029 1.00 0.00 O ATOM 565 CB ALA A 39 6.615 3.240 -9.544 1.00 0.00 C ATOM 566 H ALA A 39 6.563 0.768 -9.577 1.00 0.00 H ATOM 567 HA ALA A 39 5.245 2.787 -7.948 1.00 0.00 H ATOM 568 HB1 ALA A 39 7.340 2.531 -9.916 1.00 0.00 H ATOM 569 HB2 ALA A 39 7.067 3.842 -8.769 1.00 0.00 H ATOM 570 HB3 ALA A 39 6.288 3.879 -10.351 1.00 0.00 H ATOM 571 N GLY A 40 3.031 2.891 -9.190 1.00 0.00 N ATOM 572 CA GLY A 40 1.780 3.143 -9.960 1.00 0.00 C ATOM 573 C GLY A 40 0.763 2.034 -9.674 1.00 0.00 C ATOM 574 O GLY A 40 -0.419 2.191 -9.904 1.00 0.00 O ATOM 575 H GLY A 40 3.000 2.836 -8.211 1.00 0.00 H ATOM 576 HA2 GLY A 40 1.365 4.097 -9.670 1.00 0.00 H ATOM 577 HA3 GLY A 40 2.005 3.155 -11.016 1.00 0.00 H ATOM 578 N GLN A 41 1.211 0.912 -9.175 1.00 0.00 N ATOM 579 CA GLN A 41 0.264 -0.201 -8.879 1.00 0.00 C ATOM 580 C GLN A 41 -0.736 0.225 -7.799 1.00 0.00 C ATOM 581 O GLN A 41 -0.379 0.436 -6.657 1.00 0.00 O ATOM 582 CB GLN A 41 1.145 -1.346 -8.374 1.00 0.00 C ATOM 583 CG GLN A 41 1.223 -2.438 -9.444 1.00 0.00 C ATOM 584 CD GLN A 41 1.494 -3.788 -8.778 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.235 -3.962 -7.605 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.011 -4.758 -9.483 1.00 0.00 N ATOM 587 H GLN A 41 2.167 0.801 -8.996 1.00 0.00 H ATOM 588 HA GLN A 41 -0.254 -0.502 -9.775 1.00 0.00 H ATOM 589 HB2 GLN A 41 2.137 -0.972 -8.167 1.00 0.00 H ATOM 590 HB3 GLN A 41 0.718 -1.758 -7.473 1.00 0.00 H ATOM 591 HG2 GLN A 41 0.287 -2.482 -9.982 1.00 0.00 H ATOM 592 HG3 GLN A 41 2.023 -2.210 -10.132 1.00 0.00 H ATOM 593 HE21 GLN A 41 2.220 -4.617 -10.430 1.00 0.00 H ATOM 594 HE22 GLN A 41 2.189 -5.626 -9.066 1.00 0.00 H ATOM 595 N THR A 42 -1.985 0.354 -8.154 1.00 0.00 N ATOM 596 CA THR A 42 -3.011 0.768 -7.152 1.00 0.00 C ATOM 597 C THR A 42 -2.939 -0.130 -5.914 1.00 0.00 C ATOM 598 O THR A 42 -3.520 -1.197 -5.873 1.00 0.00 O ATOM 599 CB THR A 42 -4.351 0.589 -7.867 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.373 1.397 -9.035 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.490 1.005 -6.934 1.00 0.00 C ATOM 602 H THR A 42 -2.250 0.179 -9.082 1.00 0.00 H ATOM 603 HA THR A 42 -2.877 1.802 -6.876 1.00 0.00 H ATOM 604 HB THR A 42 -4.478 -0.447 -8.142 1.00 0.00 H ATOM 605 HG1 THR A 42 -5.092 1.092 -9.594 1.00 0.00 H ATOM 606 HG21 THR A 42 -5.344 2.029 -6.623 1.00 0.00 H ATOM 607 HG22 THR A 42 -6.432 0.916 -7.453 1.00 0.00 H ATOM 608 HG23 THR A 42 -5.496 0.363 -6.065 1.00 0.00 H ATOM 609 N VAL A 43 -2.237 0.299 -4.901 1.00 0.00 N ATOM 610 CA VAL A 43 -2.135 -0.526 -3.665 1.00 0.00 C ATOM 611 C VAL A 43 -3.532 -0.797 -3.105 1.00 0.00 C ATOM 612 O VAL A 43 -3.815 -1.869 -2.609 1.00 0.00 O ATOM 613 CB VAL A 43 -1.317 0.318 -2.688 1.00 0.00 C ATOM 614 CG1 VAL A 43 -1.144 -0.445 -1.373 1.00 0.00 C ATOM 615 CG2 VAL A 43 0.058 0.608 -3.292 1.00 0.00 C ATOM 616 H VAL A 43 -1.781 1.165 -4.952 1.00 0.00 H ATOM 617 HA VAL A 43 -1.624 -1.454 -3.870 1.00 0.00 H ATOM 618 HB VAL A 43 -1.831 1.250 -2.498 1.00 0.00 H ATOM 619 HG11 VAL A 43 -1.943 -1.166 -1.268 1.00 0.00 H ATOM 620 HG12 VAL A 43 -0.195 -0.959 -1.377 1.00 0.00 H ATOM 621 HG13 VAL A 43 -1.175 0.249 -0.547 1.00 0.00 H ATOM 622 HG21 VAL A 43 -0.002 0.548 -4.369 1.00 0.00 H ATOM 623 HG22 VAL A 43 0.376 1.600 -3.004 1.00 0.00 H ATOM 624 HG23 VAL A 43 0.771 -0.118 -2.930 1.00 0.00 H ATOM 625 N LEU A 44 -4.409 0.167 -3.184 1.00 0.00 N ATOM 626 CA LEU A 44 -5.791 -0.045 -2.658 1.00 0.00 C ATOM 627 C LEU A 44 -6.725 1.072 -3.133 1.00 0.00 C ATOM 628 O LEU A 44 -6.450 1.754 -4.100 1.00 0.00 O ATOM 629 CB LEU A 44 -5.649 -0.016 -1.136 1.00 0.00 C ATOM 630 CG LEU A 44 -5.093 1.340 -0.699 1.00 0.00 C ATOM 631 CD1 LEU A 44 -6.053 1.984 0.304 1.00 0.00 C ATOM 632 CD2 LEU A 44 -3.725 1.142 -0.043 1.00 0.00 C ATOM 633 H LEU A 44 -4.161 1.027 -3.592 1.00 0.00 H ATOM 634 HA LEU A 44 -6.168 -1.006 -2.971 1.00 0.00 H ATOM 635 HB2 LEU A 44 -6.616 -0.171 -0.683 1.00 0.00 H ATOM 636 HB3 LEU A 44 -4.974 -0.798 -0.822 1.00 0.00 H ATOM 637 HG LEU A 44 -4.991 1.981 -1.561 1.00 0.00 H ATOM 638 HD11 LEU A 44 -6.265 1.283 1.099 1.00 0.00 H ATOM 639 HD12 LEU A 44 -5.597 2.871 0.719 1.00 0.00 H ATOM 640 HD13 LEU A 44 -6.971 2.251 -0.196 1.00 0.00 H ATOM 641 HD21 LEU A 44 -3.286 0.222 -0.398 1.00 0.00 H ATOM 642 HD22 LEU A 44 -3.081 1.970 -0.298 1.00 0.00 H ATOM 643 HD23 LEU A 44 -3.843 1.095 1.029 1.00 0.00 H ATOM 644 N VAL A 45 -7.829 1.260 -2.461 1.00 0.00 N ATOM 645 CA VAL A 45 -8.782 2.329 -2.875 1.00 0.00 C ATOM 646 C VAL A 45 -9.408 2.985 -1.640 1.00 0.00 C ATOM 647 O VAL A 45 -9.606 2.352 -0.622 1.00 0.00 O ATOM 648 CB VAL A 45 -9.851 1.608 -3.699 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.823 2.635 -4.284 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.185 0.830 -4.835 1.00 0.00 C ATOM 651 H VAL A 45 -8.032 0.696 -1.687 1.00 0.00 H ATOM 652 HA VAL A 45 -8.283 3.066 -3.483 1.00 0.00 H ATOM 653 HB VAL A 45 -10.393 0.923 -3.062 1.00 0.00 H ATOM 654 HG11 VAL A 45 -10.852 3.507 -3.648 1.00 0.00 H ATOM 655 HG12 VAL A 45 -10.493 2.921 -5.272 1.00 0.00 H ATOM 656 HG13 VAL A 45 -11.810 2.203 -4.347 1.00 0.00 H ATOM 657 HG21 VAL A 45 -8.386 1.421 -5.257 1.00 0.00 H ATOM 658 HG22 VAL A 45 -8.782 -0.095 -4.449 1.00 0.00 H ATOM 659 HG23 VAL A 45 -9.915 0.612 -5.600 1.00 0.00 H ATOM 660 N LEU A 46 -9.723 4.249 -1.724 1.00 0.00 N ATOM 661 CA LEU A 46 -10.337 4.945 -0.555 1.00 0.00 C ATOM 662 C LEU A 46 -11.254 6.071 -1.037 1.00 0.00 C ATOM 663 O LEU A 46 -11.317 6.373 -2.213 1.00 0.00 O ATOM 664 CB LEU A 46 -9.158 5.512 0.235 1.00 0.00 C ATOM 665 CG LEU A 46 -9.241 5.041 1.687 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.529 3.695 1.827 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.569 6.072 2.596 1.00 0.00 C ATOM 668 H LEU A 46 -9.556 4.741 -2.555 1.00 0.00 H ATOM 669 HA LEU A 46 -10.886 4.245 0.054 1.00 0.00 H ATOM 670 HB2 LEU A 46 -8.231 5.169 -0.205 1.00 0.00 H ATOM 671 HB3 LEU A 46 -9.190 6.591 0.206 1.00 0.00 H ATOM 672 HG LEU A 46 -10.277 4.933 1.971 1.00 0.00 H ATOM 673 HD11 LEU A 46 -8.106 3.410 0.876 1.00 0.00 H ATOM 674 HD12 LEU A 46 -7.740 3.778 2.562 1.00 0.00 H ATOM 675 HD13 LEU A 46 -9.238 2.945 2.145 1.00 0.00 H ATOM 676 HD21 LEU A 46 -8.556 7.033 2.104 1.00 0.00 H ATOM 677 HD22 LEU A 46 -9.121 6.149 3.522 1.00 0.00 H ATOM 678 HD23 LEU A 46 -7.556 5.762 2.806 1.00 0.00 H ATOM 679 N GLU A 47 -11.966 6.696 -0.139 1.00 0.00 N ATOM 680 CA GLU A 47 -12.876 7.801 -0.553 1.00 0.00 C ATOM 681 C GLU A 47 -13.250 8.666 0.654 1.00 0.00 C ATOM 682 O GLU A 47 -14.115 8.320 1.433 1.00 0.00 O ATOM 683 CB GLU A 47 -14.114 7.104 -1.117 1.00 0.00 C ATOM 684 CG GLU A 47 -14.396 7.627 -2.527 1.00 0.00 C ATOM 685 CD GLU A 47 -15.709 7.032 -3.038 1.00 0.00 C ATOM 686 OE1 GLU A 47 -16.686 7.091 -2.310 1.00 0.00 O ATOM 687 OE2 GLU A 47 -15.715 6.527 -4.149 1.00 0.00 O ATOM 688 H GLU A 47 -11.903 6.439 0.804 1.00 0.00 H ATOM 689 HA GLU A 47 -12.413 8.403 -1.319 1.00 0.00 H ATOM 690 HB2 GLU A 47 -13.940 6.038 -1.155 1.00 0.00 H ATOM 691 HB3 GLU A 47 -14.962 7.308 -0.482 1.00 0.00 H ATOM 692 HG2 GLU A 47 -14.474 8.705 -2.501 1.00 0.00 H ATOM 693 HG3 GLU A 47 -13.592 7.339 -3.185 1.00 0.00 H ATOM 694 N ALA A 48 -12.609 9.792 0.808 1.00 0.00 N ATOM 695 CA ALA A 48 -12.932 10.681 1.962 1.00 0.00 C ATOM 696 C ALA A 48 -13.443 12.028 1.450 1.00 0.00 C ATOM 697 O ALA A 48 -14.493 12.497 1.843 1.00 0.00 O ATOM 698 CB ALA A 48 -11.610 10.858 2.710 1.00 0.00 C ATOM 699 H ALA A 48 -11.917 10.054 0.166 1.00 0.00 H ATOM 700 HA ALA A 48 -13.662 10.218 2.603 1.00 0.00 H ATOM 701 HB1 ALA A 48 -10.987 11.562 2.179 1.00 0.00 H ATOM 702 HB2 ALA A 48 -11.103 9.906 2.775 1.00 0.00 H ATOM 703 HB3 ALA A 48 -11.806 11.230 3.705 1.00 0.00 H ATOM 704 N MET A 49 -12.709 12.651 0.570 1.00 0.00 N ATOM 705 CA MET A 49 -13.147 13.965 0.023 1.00 0.00 C ATOM 706 C MET A 49 -12.625 14.130 -1.406 1.00 0.00 C ATOM 707 O MET A 49 -12.040 15.137 -1.753 1.00 0.00 O ATOM 708 CB MET A 49 -12.525 15.009 0.950 1.00 0.00 C ATOM 709 CG MET A 49 -13.635 15.757 1.690 1.00 0.00 C ATOM 710 SD MET A 49 -13.200 17.507 1.823 1.00 0.00 S ATOM 711 CE MET A 49 -14.272 18.107 0.494 1.00 0.00 C ATOM 712 H MET A 49 -11.868 12.251 0.266 1.00 0.00 H ATOM 713 HA MET A 49 -14.222 14.044 0.045 1.00 0.00 H ATOM 714 HB2 MET A 49 -11.881 14.517 1.665 1.00 0.00 H ATOM 715 HB3 MET A 49 -11.947 15.710 0.367 1.00 0.00 H ATOM 716 HG2 MET A 49 -14.562 15.657 1.146 1.00 0.00 H ATOM 717 HG3 MET A 49 -13.752 15.339 2.680 1.00 0.00 H ATOM 718 HE1 MET A 49 -15.188 17.534 0.485 1.00 0.00 H ATOM 719 HE2 MET A 49 -14.502 19.148 0.657 1.00 0.00 H ATOM 720 HE3 MET A 49 -13.763 17.998 -0.455 1.00 0.00 H ATOM 721 N LYS A 50 -12.830 13.142 -2.236 1.00 0.00 N ATOM 722 CA LYS A 50 -12.342 13.230 -3.644 1.00 0.00 C ATOM 723 C LYS A 50 -10.834 13.491 -3.660 1.00 0.00 C ATOM 724 O LYS A 50 -10.353 14.370 -4.348 1.00 0.00 O ATOM 725 CB LYS A 50 -13.098 14.408 -4.262 1.00 0.00 C ATOM 726 CG LYS A 50 -13.571 14.029 -5.668 1.00 0.00 C ATOM 727 CD LYS A 50 -14.963 13.400 -5.586 1.00 0.00 C ATOM 728 CE LYS A 50 -14.934 12.010 -6.225 1.00 0.00 C ATOM 729 NZ LYS A 50 -16.207 11.364 -5.802 1.00 0.00 N ATOM 730 H LYS A 50 -13.300 12.338 -1.931 1.00 0.00 H ATOM 731 HA LYS A 50 -12.573 12.323 -4.179 1.00 0.00 H ATOM 732 HB2 LYS A 50 -13.954 14.649 -3.647 1.00 0.00 H ATOM 733 HB3 LYS A 50 -12.445 15.264 -4.323 1.00 0.00 H ATOM 734 HG2 LYS A 50 -13.611 14.916 -6.285 1.00 0.00 H ATOM 735 HG3 LYS A 50 -12.882 13.320 -6.100 1.00 0.00 H ATOM 736 HD2 LYS A 50 -15.260 13.316 -4.550 1.00 0.00 H ATOM 737 HD3 LYS A 50 -15.671 14.022 -6.114 1.00 0.00 H ATOM 738 HE2 LYS A 50 -14.891 12.093 -7.303 1.00 0.00 H ATOM 739 HE3 LYS A 50 -14.092 11.444 -5.857 1.00 0.00 H ATOM 740 HZ1 LYS A 50 -17.009 11.964 -6.079 1.00 0.00 H ATOM 741 HZ2 LYS A 50 -16.295 10.436 -6.261 1.00 0.00 H ATOM 742 HZ3 LYS A 50 -16.206 11.241 -4.768 1.00 0.00 H ATOM 743 N MET A 51 -10.084 12.734 -2.904 1.00 0.00 N ATOM 744 CA MET A 51 -8.607 12.940 -2.875 1.00 0.00 C ATOM 745 C MET A 51 -7.893 11.629 -2.532 1.00 0.00 C ATOM 746 O MET A 51 -6.809 11.629 -1.983 1.00 0.00 O ATOM 747 CB MET A 51 -8.375 13.978 -1.776 1.00 0.00 C ATOM 748 CG MET A 51 -6.998 14.619 -1.961 1.00 0.00 C ATOM 749 SD MET A 51 -6.407 15.250 -0.369 1.00 0.00 S ATOM 750 CE MET A 51 -7.509 16.682 -0.268 1.00 0.00 C ATOM 751 H MET A 51 -10.492 12.032 -2.356 1.00 0.00 H ATOM 752 HA MET A 51 -8.260 13.322 -3.822 1.00 0.00 H ATOM 753 HB2 MET A 51 -9.139 14.740 -1.834 1.00 0.00 H ATOM 754 HB3 MET A 51 -8.420 13.497 -0.811 1.00 0.00 H ATOM 755 HG2 MET A 51 -6.305 13.880 -2.335 1.00 0.00 H ATOM 756 HG3 MET A 51 -7.072 15.434 -2.667 1.00 0.00 H ATOM 757 HE1 MET A 51 -8.513 16.384 -0.524 1.00 0.00 H ATOM 758 HE2 MET A 51 -7.498 17.073 0.740 1.00 0.00 H ATOM 759 HE3 MET A 51 -7.175 17.443 -0.959 1.00 0.00 H ATOM 760 N GLU A 52 -8.490 10.512 -2.848 1.00 0.00 N ATOM 761 CA GLU A 52 -7.838 9.207 -2.537 1.00 0.00 C ATOM 762 C GLU A 52 -8.109 8.194 -3.653 1.00 0.00 C ATOM 763 O GLU A 52 -7.287 7.981 -4.522 1.00 0.00 O ATOM 764 CB GLU A 52 -8.476 8.748 -1.226 1.00 0.00 C ATOM 765 CG GLU A 52 -7.448 8.840 -0.097 1.00 0.00 C ATOM 766 CD GLU A 52 -7.316 10.295 0.356 1.00 0.00 C ATOM 767 OE1 GLU A 52 -8.336 10.898 0.648 1.00 0.00 O ATOM 768 OE2 GLU A 52 -6.199 10.781 0.404 1.00 0.00 O ATOM 769 H GLU A 52 -9.364 10.530 -3.291 1.00 0.00 H ATOM 770 HA GLU A 52 -6.776 9.341 -2.400 1.00 0.00 H ATOM 771 HB2 GLU A 52 -9.323 9.381 -0.996 1.00 0.00 H ATOM 772 HB3 GLU A 52 -8.808 7.725 -1.325 1.00 0.00 H ATOM 773 HG2 GLU A 52 -7.770 8.230 0.734 1.00 0.00 H ATOM 774 HG3 GLU A 52 -6.491 8.488 -0.453 1.00 0.00 H ATOM 775 N THR A 53 -9.254 7.567 -3.638 1.00 0.00 N ATOM 776 CA THR A 53 -9.572 6.567 -4.699 1.00 0.00 C ATOM 777 C THR A 53 -8.440 5.542 -4.818 1.00 0.00 C ATOM 778 O THR A 53 -7.732 5.273 -3.868 1.00 0.00 O ATOM 779 CB THR A 53 -9.700 7.376 -5.995 1.00 0.00 C ATOM 780 OG1 THR A 53 -10.111 8.704 -5.692 1.00 0.00 O ATOM 781 CG2 THR A 53 -10.736 6.719 -6.908 1.00 0.00 C ATOM 782 H THR A 53 -9.904 7.752 -2.928 1.00 0.00 H ATOM 783 HA THR A 53 -10.507 6.073 -4.482 1.00 0.00 H ATOM 784 HB THR A 53 -8.747 7.401 -6.499 1.00 0.00 H ATOM 785 HG1 THR A 53 -9.544 9.307 -6.178 1.00 0.00 H ATOM 786 HG21 THR A 53 -11.191 5.885 -6.394 1.00 0.00 H ATOM 787 HG22 THR A 53 -11.496 7.439 -7.168 1.00 0.00 H ATOM 788 HG23 THR A 53 -10.252 6.366 -7.807 1.00 0.00 H ATOM 789 N GLU A 54 -8.265 4.968 -5.977 1.00 0.00 N ATOM 790 CA GLU A 54 -7.179 3.962 -6.156 1.00 0.00 C ATOM 791 C GLU A 54 -5.833 4.554 -5.726 1.00 0.00 C ATOM 792 O GLU A 54 -5.291 5.423 -6.379 1.00 0.00 O ATOM 793 CB GLU A 54 -7.171 3.649 -7.652 1.00 0.00 C ATOM 794 CG GLU A 54 -8.325 2.699 -7.982 1.00 0.00 C ATOM 795 CD GLU A 54 -9.244 3.351 -9.016 1.00 0.00 C ATOM 796 OE1 GLU A 54 -8.978 3.199 -10.197 1.00 0.00 O ATOM 797 OE2 GLU A 54 -10.199 3.993 -8.609 1.00 0.00 O ATOM 798 H GLU A 54 -8.846 5.198 -6.731 1.00 0.00 H ATOM 799 HA GLU A 54 -7.396 3.068 -5.593 1.00 0.00 H ATOM 800 HB2 GLU A 54 -7.289 4.566 -8.212 1.00 0.00 H ATOM 801 HB3 GLU A 54 -6.236 3.181 -7.918 1.00 0.00 H ATOM 802 HG2 GLU A 54 -7.927 1.777 -8.383 1.00 0.00 H ATOM 803 HG3 GLU A 54 -8.887 2.489 -7.085 1.00 0.00 H ATOM 804 N ILE A 55 -5.290 4.091 -4.632 1.00 0.00 N ATOM 805 CA ILE A 55 -3.980 4.633 -4.168 1.00 0.00 C ATOM 806 C ILE A 55 -2.828 3.840 -4.792 1.00 0.00 C ATOM 807 O ILE A 55 -2.523 2.739 -4.374 1.00 0.00 O ATOM 808 CB ILE A 55 -3.992 4.462 -2.649 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.237 5.140 -2.068 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.739 5.106 -2.052 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.243 4.981 -0.547 1.00 0.00 C ATOM 812 H ILE A 55 -5.742 3.390 -4.117 1.00 0.00 H ATOM 813 HA ILE A 55 -3.896 5.678 -4.419 1.00 0.00 H ATOM 814 HB ILE A 55 -4.006 3.410 -2.405 1.00 0.00 H ATOM 815 HG12 ILE A 55 -5.224 6.191 -2.321 1.00 0.00 H ATOM 816 HG13 ILE A 55 -6.123 4.680 -2.480 1.00 0.00 H ATOM 817 HG21 ILE A 55 -2.718 6.155 -2.307 1.00 0.00 H ATOM 818 HG22 ILE A 55 -2.755 4.998 -0.977 1.00 0.00 H ATOM 819 HG23 ILE A 55 -1.860 4.621 -2.450 1.00 0.00 H ATOM 820 HD11 ILE A 55 -4.469 4.286 -0.255 1.00 0.00 H ATOM 821 HD12 ILE A 55 -5.060 5.939 -0.084 1.00 0.00 H ATOM 822 HD13 ILE A 55 -6.204 4.604 -0.229 1.00 0.00 H ATOM 823 N ASN A 56 -2.197 4.397 -5.794 1.00 0.00 N ATOM 824 CA ASN A 56 -1.063 3.697 -6.467 1.00 0.00 C ATOM 825 C ASN A 56 0.201 3.761 -5.612 1.00 0.00 C ATOM 826 O ASN A 56 0.528 4.778 -5.035 1.00 0.00 O ATOM 827 CB ASN A 56 -0.855 4.455 -7.778 1.00 0.00 C ATOM 828 CG ASN A 56 -0.545 5.922 -7.478 1.00 0.00 C ATOM 829 OD1 ASN A 56 -1.376 6.634 -6.947 1.00 0.00 O ATOM 830 ND2 ASN A 56 0.623 6.408 -7.795 1.00 0.00 N ATOM 831 H ASN A 56 -2.475 5.279 -6.108 1.00 0.00 H ATOM 832 HA ASN A 56 -1.315 2.676 -6.674 1.00 0.00 H ATOM 833 HB2 ASN A 56 -0.030 4.016 -8.319 1.00 0.00 H ATOM 834 HB3 ASN A 56 -1.752 4.394 -8.376 1.00 0.00 H ATOM 835 HD21 ASN A 56 1.294 5.834 -8.222 1.00 0.00 H ATOM 836 HD22 ASN A 56 0.832 7.347 -7.607 1.00 0.00 H ATOM 837 N ALA A 57 0.915 2.675 -5.539 1.00 0.00 N ATOM 838 CA ALA A 57 2.169 2.661 -4.732 1.00 0.00 C ATOM 839 C ALA A 57 3.092 3.801 -5.182 1.00 0.00 C ATOM 840 O ALA A 57 3.118 4.147 -6.346 1.00 0.00 O ATOM 841 CB ALA A 57 2.811 1.303 -5.020 1.00 0.00 C ATOM 842 H ALA A 57 0.629 1.869 -6.020 1.00 0.00 H ATOM 843 HA ALA A 57 1.944 2.747 -3.681 1.00 0.00 H ATOM 844 HB1 ALA A 57 2.229 0.780 -5.765 1.00 0.00 H ATOM 845 HB2 ALA A 57 2.842 0.718 -4.112 1.00 0.00 H ATOM 846 HB3 ALA A 57 3.815 1.449 -5.388 1.00 0.00 H ATOM 847 N PRO A 58 3.817 4.358 -4.244 1.00 0.00 N ATOM 848 CA PRO A 58 4.740 5.475 -4.565 1.00 0.00 C ATOM 849 C PRO A 58 5.965 4.961 -5.326 1.00 0.00 C ATOM 850 O PRO A 58 6.473 5.614 -6.217 1.00 0.00 O ATOM 851 CB PRO A 58 5.136 6.021 -3.197 1.00 0.00 C ATOM 852 CG PRO A 58 4.945 4.878 -2.251 1.00 0.00 C ATOM 853 CD PRO A 58 3.851 4.010 -2.816 1.00 0.00 C ATOM 854 HA PRO A 58 4.231 6.237 -5.133 1.00 0.00 H ATOM 855 HB2 PRO A 58 6.171 6.337 -3.206 1.00 0.00 H ATOM 856 HB3 PRO A 58 4.493 6.842 -2.919 1.00 0.00 H ATOM 857 HG2 PRO A 58 5.863 4.313 -2.168 1.00 0.00 H ATOM 858 HG3 PRO A 58 4.650 5.248 -1.282 1.00 0.00 H ATOM 859 HD2 PRO A 58 4.093 2.963 -2.684 1.00 0.00 H ATOM 860 HD3 PRO A 58 2.904 4.242 -2.354 1.00 0.00 H ATOM 861 N THR A 59 6.447 3.798 -4.983 1.00 0.00 N ATOM 862 CA THR A 59 7.640 3.251 -5.691 1.00 0.00 C ATOM 863 C THR A 59 7.667 1.723 -5.589 1.00 0.00 C ATOM 864 O THR A 59 7.026 1.136 -4.740 1.00 0.00 O ATOM 865 CB THR A 59 8.843 3.858 -4.968 1.00 0.00 C ATOM 866 OG1 THR A 59 8.634 5.252 -4.795 1.00 0.00 O ATOM 867 CG2 THR A 59 10.108 3.627 -5.798 1.00 0.00 C ATOM 868 H THR A 59 6.026 3.285 -4.263 1.00 0.00 H ATOM 869 HA THR A 59 7.639 3.558 -6.725 1.00 0.00 H ATOM 870 HB THR A 59 8.959 3.387 -4.005 1.00 0.00 H ATOM 871 HG1 THR A 59 8.058 5.374 -4.038 1.00 0.00 H ATOM 872 HG21 THR A 59 9.839 3.493 -6.836 1.00 0.00 H ATOM 873 HG22 THR A 59 10.762 4.482 -5.703 1.00 0.00 H ATOM 874 HG23 THR A 59 10.616 2.743 -5.441 1.00 0.00 H ATOM 875 N ASP A 60 8.403 1.077 -6.450 1.00 0.00 N ATOM 876 CA ASP A 60 8.473 -0.412 -6.406 1.00 0.00 C ATOM 877 C ASP A 60 8.982 -0.880 -5.041 1.00 0.00 C ATOM 878 O ASP A 60 9.844 -0.266 -4.444 1.00 0.00 O ATOM 879 CB ASP A 60 9.462 -0.793 -7.508 1.00 0.00 C ATOM 880 CG ASP A 60 8.976 -0.232 -8.846 1.00 0.00 C ATOM 881 OD1 ASP A 60 9.209 0.940 -9.094 1.00 0.00 O ATOM 882 OD2 ASP A 60 8.379 -0.983 -9.599 1.00 0.00 O ATOM 883 H ASP A 60 8.912 1.571 -7.127 1.00 0.00 H ATOM 884 HA ASP A 60 7.506 -0.839 -6.614 1.00 0.00 H ATOM 885 HB2 ASP A 60 10.434 -0.384 -7.277 1.00 0.00 H ATOM 886 HB3 ASP A 60 9.529 -1.869 -7.574 1.00 0.00 H ATOM 887 N GLY A 61 8.453 -1.964 -4.542 1.00 0.00 N ATOM 888 CA GLY A 61 8.907 -2.470 -3.215 1.00 0.00 C ATOM 889 C GLY A 61 7.979 -3.591 -2.741 1.00 0.00 C ATOM 890 O GLY A 61 7.217 -4.147 -3.508 1.00 0.00 O ATOM 891 H GLY A 61 7.758 -2.444 -5.040 1.00 0.00 H ATOM 892 HA2 GLY A 61 9.916 -2.850 -3.302 1.00 0.00 H ATOM 893 HA3 GLY A 61 8.887 -1.665 -2.497 1.00 0.00 H ATOM 894 N LYS A 62 8.038 -3.928 -1.481 1.00 0.00 N ATOM 895 CA LYS A 62 7.164 -5.014 -0.951 1.00 0.00 C ATOM 896 C LYS A 62 6.480 -4.554 0.341 1.00 0.00 C ATOM 897 O LYS A 62 7.025 -3.776 1.099 1.00 0.00 O ATOM 898 CB LYS A 62 8.111 -6.180 -0.669 1.00 0.00 C ATOM 899 CG LYS A 62 7.310 -7.477 -0.543 1.00 0.00 C ATOM 900 CD LYS A 62 8.044 -8.435 0.396 1.00 0.00 C ATOM 901 CE LYS A 62 7.550 -9.866 0.161 1.00 0.00 C ATOM 902 NZ LYS A 62 8.148 -10.665 1.266 1.00 0.00 N ATOM 903 H LYS A 62 8.661 -3.466 -0.882 1.00 0.00 H ATOM 904 HA LYS A 62 6.429 -5.302 -1.686 1.00 0.00 H ATOM 905 HB2 LYS A 62 8.819 -6.271 -1.481 1.00 0.00 H ATOM 906 HB3 LYS A 62 8.643 -5.997 0.251 1.00 0.00 H ATOM 907 HG2 LYS A 62 6.330 -7.257 -0.141 1.00 0.00 H ATOM 908 HG3 LYS A 62 7.208 -7.934 -1.515 1.00 0.00 H ATOM 909 HD2 LYS A 62 9.106 -8.385 0.204 1.00 0.00 H ATOM 910 HD3 LYS A 62 7.850 -8.155 1.421 1.00 0.00 H ATOM 911 HE2 LYS A 62 6.469 -9.901 0.209 1.00 0.00 H ATOM 912 HE3 LYS A 62 7.898 -10.232 -0.791 1.00 0.00 H ATOM 913 HZ1 LYS A 62 9.161 -10.444 1.345 1.00 0.00 H ATOM 914 HZ2 LYS A 62 7.674 -10.430 2.161 1.00 0.00 H ATOM 915 HZ3 LYS A 62 8.028 -11.679 1.065 1.00 0.00 H ATOM 916 N VAL A 63 5.291 -5.027 0.601 1.00 0.00 N ATOM 917 CA VAL A 63 4.582 -4.609 1.846 1.00 0.00 C ATOM 918 C VAL A 63 5.023 -5.481 3.026 1.00 0.00 C ATOM 919 O VAL A 63 5.152 -6.684 2.915 1.00 0.00 O ATOM 920 CB VAL A 63 3.087 -4.806 1.537 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.266 -4.852 2.834 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.596 -3.637 0.690 1.00 0.00 C ATOM 923 H VAL A 63 4.864 -5.654 -0.022 1.00 0.00 H ATOM 924 HA VAL A 63 4.777 -3.570 2.055 1.00 0.00 H ATOM 925 HB VAL A 63 2.950 -5.729 0.992 1.00 0.00 H ATOM 926 HG11 VAL A 63 2.571 -4.043 3.482 1.00 0.00 H ATOM 927 HG12 VAL A 63 1.216 -4.749 2.599 1.00 0.00 H ATOM 928 HG13 VAL A 63 2.432 -5.796 3.332 1.00 0.00 H ATOM 929 HG21 VAL A 63 2.907 -2.710 1.150 1.00 0.00 H ATOM 930 HG22 VAL A 63 3.015 -3.708 -0.301 1.00 0.00 H ATOM 931 HG23 VAL A 63 1.518 -3.666 0.631 1.00 0.00 H ATOM 932 N GLU A 64 5.233 -4.876 4.161 1.00 0.00 N ATOM 933 CA GLU A 64 5.639 -5.657 5.359 1.00 0.00 C ATOM 934 C GLU A 64 4.391 -6.004 6.176 1.00 0.00 C ATOM 935 O GLU A 64 4.363 -6.977 6.903 1.00 0.00 O ATOM 936 CB GLU A 64 6.559 -4.726 6.150 1.00 0.00 C ATOM 937 CG GLU A 64 7.797 -4.396 5.312 1.00 0.00 C ATOM 938 CD GLU A 64 9.026 -4.331 6.221 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.037 -3.495 7.110 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.934 -5.119 6.013 1.00 0.00 O ATOM 941 H GLU A 64 5.107 -3.905 4.230 1.00 0.00 H ATOM 942 HA GLU A 64 6.168 -6.551 5.071 1.00 0.00 H ATOM 943 HB2 GLU A 64 6.030 -3.814 6.387 1.00 0.00 H ATOM 944 HB3 GLU A 64 6.865 -5.213 7.064 1.00 0.00 H ATOM 945 HG2 GLU A 64 7.940 -5.162 4.565 1.00 0.00 H ATOM 946 HG3 GLU A 64 7.660 -3.441 4.828 1.00 0.00 H ATOM 947 N LYS A 65 3.356 -5.212 6.049 1.00 0.00 N ATOM 948 CA LYS A 65 2.093 -5.480 6.804 1.00 0.00 C ATOM 949 C LYS A 65 1.060 -4.394 6.487 1.00 0.00 C ATOM 950 O LYS A 65 1.378 -3.223 6.425 1.00 0.00 O ATOM 951 CB LYS A 65 2.475 -5.434 8.289 1.00 0.00 C ATOM 952 CG LYS A 65 3.218 -4.133 8.594 1.00 0.00 C ATOM 953 CD LYS A 65 3.355 -3.966 10.109 1.00 0.00 C ATOM 954 CE LYS A 65 4.830 -3.792 10.474 1.00 0.00 C ATOM 955 NZ LYS A 65 5.305 -5.160 10.821 1.00 0.00 N ATOM 956 H LYS A 65 3.406 -4.437 5.444 1.00 0.00 H ATOM 957 HA LYS A 65 1.704 -6.454 6.552 1.00 0.00 H ATOM 958 HB2 LYS A 65 1.578 -5.484 8.890 1.00 0.00 H ATOM 959 HB3 LYS A 65 3.110 -6.274 8.524 1.00 0.00 H ATOM 960 HG2 LYS A 65 4.201 -4.165 8.145 1.00 0.00 H ATOM 961 HG3 LYS A 65 2.665 -3.299 8.192 1.00 0.00 H ATOM 962 HD2 LYS A 65 2.798 -3.094 10.425 1.00 0.00 H ATOM 963 HD3 LYS A 65 2.964 -4.842 10.605 1.00 0.00 H ATOM 964 HE2 LYS A 65 5.382 -3.402 9.629 1.00 0.00 H ATOM 965 HE3 LYS A 65 4.932 -3.138 11.326 1.00 0.00 H ATOM 966 HZ1 LYS A 65 4.936 -5.841 10.127 1.00 0.00 H ATOM 967 HZ2 LYS A 65 6.344 -5.181 10.805 1.00 0.00 H ATOM 968 HZ3 LYS A 65 4.965 -5.413 11.772 1.00 0.00 H ATOM 969 N VAL A 66 -0.174 -4.769 6.284 1.00 0.00 N ATOM 970 CA VAL A 66 -1.216 -3.748 5.969 1.00 0.00 C ATOM 971 C VAL A 66 -1.922 -3.292 7.249 1.00 0.00 C ATOM 972 O VAL A 66 -2.366 -4.094 8.046 1.00 0.00 O ATOM 973 CB VAL A 66 -2.201 -4.454 5.036 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.845 -5.634 5.767 1.00 0.00 C ATOM 975 CG2 VAL A 66 -3.287 -3.466 4.606 1.00 0.00 C ATOM 976 H VAL A 66 -0.414 -5.717 6.335 1.00 0.00 H ATOM 977 HA VAL A 66 -0.772 -2.904 5.464 1.00 0.00 H ATOM 978 HB VAL A 66 -1.675 -4.814 4.164 1.00 0.00 H ATOM 979 HG11 VAL A 66 -2.322 -5.812 6.694 1.00 0.00 H ATOM 980 HG12 VAL A 66 -3.880 -5.406 5.975 1.00 0.00 H ATOM 981 HG13 VAL A 66 -2.788 -6.515 5.146 1.00 0.00 H ATOM 982 HG21 VAL A 66 -3.667 -2.949 5.474 1.00 0.00 H ATOM 983 HG22 VAL A 66 -2.869 -2.751 3.914 1.00 0.00 H ATOM 984 HG23 VAL A 66 -4.092 -4.003 4.126 1.00 0.00 H ATOM 985 N LEU A 67 -2.031 -2.007 7.449 1.00 0.00 N ATOM 986 CA LEU A 67 -2.710 -1.498 8.676 1.00 0.00 C ATOM 987 C LEU A 67 -4.178 -1.188 8.373 1.00 0.00 C ATOM 988 O LEU A 67 -5.072 -1.624 9.071 1.00 0.00 O ATOM 989 CB LEU A 67 -1.959 -0.217 9.043 1.00 0.00 C ATOM 990 CG LEU A 67 -0.715 -0.571 9.858 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.422 0.383 9.492 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.030 -0.442 11.349 1.00 0.00 C ATOM 993 H LEU A 67 -1.668 -1.376 6.794 1.00 0.00 H ATOM 994 HA LEU A 67 -2.632 -2.215 9.477 1.00 0.00 H ATOM 995 HB2 LEU A 67 -1.665 0.298 8.140 1.00 0.00 H ATOM 996 HB3 LEU A 67 -2.602 0.422 9.629 1.00 0.00 H ATOM 997 HG LEU A 67 -0.419 -1.586 9.639 1.00 0.00 H ATOM 998 HD11 LEU A 67 0.108 1.401 9.666 1.00 0.00 H ATOM 999 HD12 LEU A 67 1.286 0.164 10.103 1.00 0.00 H ATOM 1000 HD13 LEU A 67 0.676 0.258 8.450 1.00 0.00 H ATOM 1001 HD21 LEU A 67 -2.090 -0.581 11.507 1.00 0.00 H ATOM 1002 HD22 LEU A 67 -0.484 -1.193 11.900 1.00 0.00 H ATOM 1003 HD23 LEU A 67 -0.740 0.539 11.695 1.00 0.00 H ATOM 1004 N VAL A 68 -4.430 -0.439 7.336 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.838 -0.097 6.984 1.00 0.00 C ATOM 1006 C VAL A 68 -6.651 -1.375 6.752 1.00 0.00 C ATOM 1007 O VAL A 68 -6.105 -2.443 6.557 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.736 0.715 5.692 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -5.110 -0.150 4.595 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -7.132 1.160 5.255 1.00 0.00 C ATOM 1011 H VAL A 68 -3.692 -0.098 6.787 1.00 0.00 H ATOM 1012 HA VAL A 68 -6.286 0.501 7.762 1.00 0.00 H ATOM 1013 HB VAL A 68 -5.117 1.584 5.861 1.00 0.00 H ATOM 1014 HG11 VAL A 68 -4.176 -0.560 4.948 1.00 0.00 H ATOM 1015 HG12 VAL A 68 -5.784 -0.956 4.343 1.00 0.00 H ATOM 1016 HG13 VAL A 68 -4.930 0.455 3.718 1.00 0.00 H ATOM 1017 HG21 VAL A 68 -7.735 1.362 6.129 1.00 0.00 H ATOM 1018 HG22 VAL A 68 -7.054 2.056 4.657 1.00 0.00 H ATOM 1019 HG23 VAL A 68 -7.594 0.377 4.672 1.00 0.00 H ATOM 1020 N LYS A 69 -7.952 -1.272 6.771 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.799 -2.478 6.548 1.00 0.00 C ATOM 1022 C LYS A 69 -9.950 -2.141 5.597 1.00 0.00 C ATOM 1023 O LYS A 69 -10.296 -0.992 5.411 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.337 -2.850 7.930 1.00 0.00 C ATOM 1025 CG LYS A 69 -9.851 -4.290 7.907 1.00 0.00 C ATOM 1026 CD LYS A 69 -10.481 -4.631 9.258 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.655 -5.719 9.949 1.00 0.00 C ATOM 1028 NZ LYS A 69 -10.478 -6.143 11.116 1.00 0.00 N ATOM 1029 H LYS A 69 -8.371 -0.401 6.929 1.00 0.00 H ATOM 1030 HA LYS A 69 -8.206 -3.288 6.153 1.00 0.00 H ATOM 1031 HB2 LYS A 69 -8.545 -2.761 8.659 1.00 0.00 H ATOM 1032 HB3 LYS A 69 -10.146 -2.185 8.192 1.00 0.00 H ATOM 1033 HG2 LYS A 69 -10.592 -4.396 7.127 1.00 0.00 H ATOM 1034 HG3 LYS A 69 -9.029 -4.963 7.716 1.00 0.00 H ATOM 1035 HD2 LYS A 69 -10.503 -3.747 9.878 1.00 0.00 H ATOM 1036 HD3 LYS A 69 -11.488 -4.990 9.107 1.00 0.00 H ATOM 1037 HE2 LYS A 69 -9.493 -6.551 9.276 1.00 0.00 H ATOM 1038 HE3 LYS A 69 -8.712 -5.319 10.287 1.00 0.00 H ATOM 1039 HZ1 LYS A 69 -11.476 -6.206 10.832 1.00 0.00 H ATOM 1040 HZ2 LYS A 69 -10.152 -7.073 11.450 1.00 0.00 H ATOM 1041 HZ3 LYS A 69 -10.381 -5.445 11.880 1.00 0.00 H ATOM 1042 N GLU A 70 -10.542 -3.133 4.992 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.669 -2.862 4.055 1.00 0.00 C ATOM 1044 C GLU A 70 -12.927 -2.479 4.836 1.00 0.00 C ATOM 1045 O GLU A 70 -13.090 -2.836 5.986 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.883 -4.175 3.299 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.726 -3.930 1.797 1.00 0.00 C ATOM 1048 CD GLU A 70 -12.218 -5.155 1.026 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -13.121 -5.815 1.513 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -11.683 -5.414 -0.040 1.00 0.00 O ATOM 1051 H GLU A 70 -10.249 -4.054 5.154 1.00 0.00 H ATOM 1052 HA GLU A 70 -11.401 -2.079 3.362 1.00 0.00 H ATOM 1053 HB2 GLU A 70 -11.153 -4.900 3.625 1.00 0.00 H ATOM 1054 HB3 GLU A 70 -12.877 -4.547 3.500 1.00 0.00 H ATOM 1055 HG2 GLU A 70 -12.308 -3.065 1.511 1.00 0.00 H ATOM 1056 HG3 GLU A 70 -10.686 -3.755 1.567 1.00 0.00 H ATOM 1057 N ARG A 71 -13.820 -1.754 4.218 1.00 0.00 N ATOM 1058 CA ARG A 71 -15.074 -1.341 4.917 1.00 0.00 C ATOM 1059 C ARG A 71 -14.742 -0.546 6.183 1.00 0.00 C ATOM 1060 O ARG A 71 -15.488 -0.547 7.141 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.789 -2.646 5.276 1.00 0.00 C ATOM 1062 CG ARG A 71 -17.277 -2.369 5.489 1.00 0.00 C ATOM 1063 CD ARG A 71 -18.093 -3.583 5.040 1.00 0.00 C ATOM 1064 NE ARG A 71 -18.340 -4.361 6.285 1.00 0.00 N ATOM 1065 CZ ARG A 71 -19.465 -5.004 6.439 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -20.026 -5.587 5.416 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -20.027 -5.064 7.616 1.00 0.00 N ATOM 1068 H ARG A 71 -13.665 -1.476 3.291 1.00 0.00 H ATOM 1069 HA ARG A 71 -15.693 -0.753 4.258 1.00 0.00 H ATOM 1070 HB2 ARG A 71 -15.665 -3.356 4.471 1.00 0.00 H ATOM 1071 HB3 ARG A 71 -15.366 -3.051 6.183 1.00 0.00 H ATOM 1072 HG2 ARG A 71 -17.461 -2.177 6.537 1.00 0.00 H ATOM 1073 HG3 ARG A 71 -17.570 -1.507 4.908 1.00 0.00 H ATOM 1074 HD2 ARG A 71 -19.028 -3.264 4.600 1.00 0.00 H ATOM 1075 HD3 ARG A 71 -17.528 -4.178 4.340 1.00 0.00 H ATOM 1076 HE ARG A 71 -17.659 -4.389 6.989 1.00 0.00 H ATOM 1077 HH11 ARG A 71 -19.595 -5.539 4.515 1.00 0.00 H ATOM 1078 HH12 ARG A 71 -20.889 -6.080 5.532 1.00 0.00 H ATOM 1079 HH21 ARG A 71 -19.596 -4.616 8.399 1.00 0.00 H ATOM 1080 HH22 ARG A 71 -20.891 -5.556 7.733 1.00 0.00 H ATOM 1081 N ASP A 72 -13.630 0.137 6.190 1.00 0.00 N ATOM 1082 CA ASP A 72 -13.255 0.938 7.390 1.00 0.00 C ATOM 1083 C ASP A 72 -13.287 2.430 7.049 1.00 0.00 C ATOM 1084 O ASP A 72 -12.498 2.913 6.261 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.833 0.492 7.736 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.338 1.256 8.967 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -12.166 1.833 9.655 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.143 1.249 9.202 1.00 0.00 O ATOM 1089 H ASP A 72 -13.044 0.129 5.404 1.00 0.00 H ATOM 1090 HA ASP A 72 -13.920 0.722 8.210 1.00 0.00 H ATOM 1091 HB2 ASP A 72 -11.829 -0.568 7.945 1.00 0.00 H ATOM 1092 HB3 ASP A 72 -11.178 0.697 6.902 1.00 0.00 H ATOM 1093 N ALA A 73 -14.200 3.161 7.628 1.00 0.00 N ATOM 1094 CA ALA A 73 -14.287 4.620 7.324 1.00 0.00 C ATOM 1095 C ALA A 73 -13.733 5.447 8.488 1.00 0.00 C ATOM 1096 O ALA A 73 -13.344 4.910 9.506 1.00 0.00 O ATOM 1097 CB ALA A 73 -15.779 4.895 7.135 1.00 0.00 C ATOM 1098 H ALA A 73 -14.832 2.752 8.254 1.00 0.00 H ATOM 1099 HA ALA A 73 -13.754 4.847 6.414 1.00 0.00 H ATOM 1100 HB1 ALA A 73 -16.320 4.554 8.005 1.00 0.00 H ATOM 1101 HB2 ALA A 73 -16.134 4.368 6.262 1.00 0.00 H ATOM 1102 HB3 ALA A 73 -15.935 5.955 7.006 1.00 0.00 H ATOM 1103 N VAL A 74 -13.700 6.752 8.329 1.00 0.00 N ATOM 1104 CA VAL A 74 -13.179 7.669 9.400 1.00 0.00 C ATOM 1105 C VAL A 74 -11.985 7.055 10.141 1.00 0.00 C ATOM 1106 O VAL A 74 -11.998 6.909 11.348 1.00 0.00 O ATOM 1107 CB VAL A 74 -14.357 7.899 10.356 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -15.514 8.548 9.591 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -14.829 6.570 10.951 1.00 0.00 C ATOM 1110 H VAL A 74 -14.025 7.137 7.488 1.00 0.00 H ATOM 1111 HA VAL A 74 -12.888 8.611 8.962 1.00 0.00 H ATOM 1112 HB VAL A 74 -14.044 8.555 11.155 1.00 0.00 H ATOM 1113 HG11 VAL A 74 -15.448 8.283 8.547 1.00 0.00 H ATOM 1114 HG12 VAL A 74 -16.453 8.199 9.995 1.00 0.00 H ATOM 1115 HG13 VAL A 74 -15.455 9.622 9.695 1.00 0.00 H ATOM 1116 HG21 VAL A 74 -13.975 6.002 11.290 1.00 0.00 H ATOM 1117 HG22 VAL A 74 -15.487 6.763 11.785 1.00 0.00 H ATOM 1118 HG23 VAL A 74 -15.360 6.007 10.198 1.00 0.00 H ATOM 1119 N GLN A 75 -10.951 6.695 9.430 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.764 6.093 10.099 1.00 0.00 C ATOM 1121 C GLN A 75 -8.471 6.680 9.526 1.00 0.00 C ATOM 1122 O GLN A 75 -7.735 6.016 8.822 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.857 4.598 9.796 1.00 0.00 C ATOM 1124 CG GLN A 75 -9.786 4.377 8.284 1.00 0.00 C ATOM 1125 CD GLN A 75 -8.522 3.584 7.943 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -8.222 2.592 8.577 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -7.763 3.982 6.958 1.00 0.00 N ATOM 1128 H GLN A 75 -10.956 6.821 8.458 1.00 0.00 H ATOM 1129 HA GLN A 75 -9.811 6.255 11.164 1.00 0.00 H ATOM 1130 HB2 GLN A 75 -9.037 4.082 10.275 1.00 0.00 H ATOM 1131 HB3 GLN A 75 -10.793 4.212 10.171 1.00 0.00 H ATOM 1132 HG2 GLN A 75 -10.657 3.826 7.960 1.00 0.00 H ATOM 1133 HG3 GLN A 75 -9.756 5.331 7.782 1.00 0.00 H ATOM 1134 HE21 GLN A 75 -8.005 4.781 6.446 1.00 0.00 H ATOM 1135 HE22 GLN A 75 -6.952 3.480 6.732 1.00 0.00 H ATOM 1136 N GLY A 76 -8.186 7.917 9.826 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.939 8.543 9.304 1.00 0.00 C ATOM 1138 C GLY A 76 -6.019 8.894 10.474 1.00 0.00 C ATOM 1139 O GLY A 76 -6.416 8.843 11.622 1.00 0.00 O ATOM 1140 H GLY A 76 -8.791 8.434 10.399 1.00 0.00 H ATOM 1141 HA2 GLY A 76 -6.437 7.849 8.644 1.00 0.00 H ATOM 1142 HA3 GLY A 76 -7.185 9.442 8.761 1.00 0.00 H ATOM 1143 N GLY A 77 -4.793 9.245 10.198 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.854 9.593 11.300 1.00 0.00 C ATOM 1145 C GLY A 77 -2.900 8.422 11.536 1.00 0.00 C ATOM 1146 O GLY A 77 -1.771 8.600 11.947 1.00 0.00 O ATOM 1147 H GLY A 77 -4.490 9.276 9.266 1.00 0.00 H ATOM 1148 HA2 GLY A 77 -3.288 10.473 11.028 1.00 0.00 H ATOM 1149 HA3 GLY A 77 -4.413 9.787 12.203 1.00 0.00 H ATOM 1150 N GLN A 78 -3.347 7.225 11.274 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.466 6.041 11.478 1.00 0.00 C ATOM 1152 C GLN A 78 -1.930 5.552 10.131 1.00 0.00 C ATOM 1153 O GLN A 78 -2.552 5.736 9.101 1.00 0.00 O ATOM 1154 CB GLN A 78 -3.365 4.981 12.118 1.00 0.00 C ATOM 1155 CG GLN A 78 -3.142 4.970 13.632 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.482 4.787 14.347 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -4.696 3.797 15.018 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.401 5.706 14.231 1.00 0.00 N ATOM 1159 H GLN A 78 -4.261 7.104 10.941 1.00 0.00 H ATOM 1160 HA GLN A 78 -1.652 6.286 12.143 1.00 0.00 H ATOM 1161 HB2 GLN A 78 -4.400 5.213 11.908 1.00 0.00 H ATOM 1162 HB3 GLN A 78 -3.124 4.011 11.713 1.00 0.00 H ATOM 1163 HG2 GLN A 78 -2.481 4.155 13.892 1.00 0.00 H ATOM 1164 HG3 GLN A 78 -2.698 5.905 13.939 1.00 0.00 H ATOM 1165 HE21 GLN A 78 -5.229 6.505 13.690 1.00 0.00 H ATOM 1166 HE22 GLN A 78 -6.262 5.600 14.687 1.00 0.00 H ATOM 1167 N GLY A 79 -0.780 4.933 10.129 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.201 4.435 8.849 1.00 0.00 C ATOM 1169 C GLY A 79 -1.216 3.534 8.143 1.00 0.00 C ATOM 1170 O GLY A 79 -1.857 2.704 8.756 1.00 0.00 O ATOM 1171 H GLY A 79 -0.296 4.799 10.970 1.00 0.00 H ATOM 1172 HA2 GLY A 79 0.041 5.275 8.212 1.00 0.00 H ATOM 1173 HA3 GLY A 79 0.694 3.870 9.054 1.00 0.00 H ATOM 1174 N LEU A 80 -1.366 3.689 6.856 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.338 2.839 6.111 1.00 0.00 C ATOM 1176 C LEU A 80 -1.655 1.553 5.636 1.00 0.00 C ATOM 1177 O LEU A 80 -2.141 0.462 5.863 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.774 3.691 4.919 1.00 0.00 C ATOM 1179 CG LEU A 80 -3.406 4.989 5.425 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -3.529 5.984 4.269 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.796 4.692 5.992 1.00 0.00 C ATOM 1182 H LEU A 80 -0.838 4.363 6.379 1.00 0.00 H ATOM 1183 HA LEU A 80 -3.189 2.608 6.731 1.00 0.00 H ATOM 1184 HB2 LEU A 80 -1.914 3.922 4.308 1.00 0.00 H ATOM 1185 HB3 LEU A 80 -3.497 3.146 4.332 1.00 0.00 H ATOM 1186 HG LEU A 80 -2.784 5.413 6.201 1.00 0.00 H ATOM 1187 HD11 LEU A 80 -3.757 5.451 3.358 1.00 0.00 H ATOM 1188 HD12 LEU A 80 -4.319 6.688 4.482 1.00 0.00 H ATOM 1189 HD13 LEU A 80 -2.595 6.514 4.151 1.00 0.00 H ATOM 1190 HD21 LEU A 80 -4.713 3.961 6.782 1.00 0.00 H ATOM 1191 HD22 LEU A 80 -5.226 5.601 6.386 1.00 0.00 H ATOM 1192 HD23 LEU A 80 -5.429 4.304 5.208 1.00 0.00 H ATOM 1193 N ILE A 81 -0.531 1.672 4.985 1.00 0.00 N ATOM 1194 CA ILE A 81 0.184 0.457 4.502 1.00 0.00 C ATOM 1195 C ILE A 81 1.680 0.568 4.813 1.00 0.00 C ATOM 1196 O ILE A 81 2.274 1.620 4.684 1.00 0.00 O ATOM 1197 CB ILE A 81 -0.053 0.428 2.990 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.566 1.673 2.352 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.556 0.407 2.709 1.00 0.00 C ATOM 1200 CD1 ILE A 81 1.768 1.263 1.498 1.00 0.00 C ATOM 1201 H ILE A 81 -0.155 2.562 4.816 1.00 0.00 H ATOM 1202 HA ILE A 81 -0.229 -0.429 4.957 1.00 0.00 H ATOM 1203 HB ILE A 81 0.403 -0.458 2.573 1.00 0.00 H ATOM 1204 HG12 ILE A 81 -0.169 2.161 1.730 1.00 0.00 H ATOM 1205 HG13 ILE A 81 0.892 2.352 3.126 1.00 0.00 H ATOM 1206 HG21 ILE A 81 -2.054 -0.190 3.459 1.00 0.00 H ATOM 1207 HG22 ILE A 81 -1.941 1.416 2.737 1.00 0.00 H ATOM 1208 HG23 ILE A 81 -1.733 -0.020 1.733 1.00 0.00 H ATOM 1209 HD11 ILE A 81 1.449 0.563 0.740 1.00 0.00 H ATOM 1210 HD12 ILE A 81 2.189 2.139 1.026 1.00 0.00 H ATOM 1211 HD13 ILE A 81 2.514 0.799 2.127 1.00 0.00 H ATOM 1212 N LYS A 82 2.291 -0.509 5.222 1.00 0.00 N ATOM 1213 CA LYS A 82 3.747 -0.464 5.543 1.00 0.00 C ATOM 1214 C LYS A 82 4.573 -0.873 4.320 1.00 0.00 C ATOM 1215 O LYS A 82 4.271 -1.840 3.651 1.00 0.00 O ATOM 1216 CB LYS A 82 3.927 -1.476 6.675 1.00 0.00 C ATOM 1217 CG LYS A 82 4.691 -0.827 7.831 1.00 0.00 C ATOM 1218 CD LYS A 82 6.080 -0.401 7.353 1.00 0.00 C ATOM 1219 CE LYS A 82 7.102 -1.476 7.729 1.00 0.00 C ATOM 1220 NZ LYS A 82 8.349 -0.726 8.047 1.00 0.00 N ATOM 1221 H LYS A 82 1.793 -1.347 5.320 1.00 0.00 H ATOM 1222 HA LYS A 82 4.030 0.521 5.880 1.00 0.00 H ATOM 1223 HB2 LYS A 82 2.956 -1.800 7.021 1.00 0.00 H ATOM 1224 HB3 LYS A 82 4.483 -2.326 6.312 1.00 0.00 H ATOM 1225 HG2 LYS A 82 4.147 0.040 8.180 1.00 0.00 H ATOM 1226 HG3 LYS A 82 4.792 -1.537 8.638 1.00 0.00 H ATOM 1227 HD2 LYS A 82 6.067 -0.275 6.281 1.00 0.00 H ATOM 1228 HD3 LYS A 82 6.353 0.532 7.823 1.00 0.00 H ATOM 1229 HE2 LYS A 82 6.762 -2.030 8.593 1.00 0.00 H ATOM 1230 HE3 LYS A 82 7.272 -2.141 6.897 1.00 0.00 H ATOM 1231 HZ1 LYS A 82 8.164 -0.056 8.819 1.00 0.00 H ATOM 1232 HZ2 LYS A 82 9.090 -1.393 8.339 1.00 0.00 H ATOM 1233 HZ3 LYS A 82 8.664 -0.205 7.202 1.00 0.00 H ATOM 1234 N ILE A 83 5.613 -0.143 4.025 1.00 0.00 N ATOM 1235 CA ILE A 83 6.457 -0.491 2.847 1.00 0.00 C ATOM 1236 C ILE A 83 7.923 -0.155 3.131 1.00 0.00 C ATOM 1237 O ILE A 83 8.229 0.789 3.834 1.00 0.00 O ATOM 1238 CB ILE A 83 5.918 0.371 1.708 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.745 0.118 0.444 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.017 1.848 2.093 1.00 0.00 C ATOM 1241 CD1 ILE A 83 5.824 -0.356 -0.681 1.00 0.00 C ATOM 1242 H ILE A 83 5.841 0.633 4.578 1.00 0.00 H ATOM 1243 HA ILE A 83 6.349 -1.537 2.603 1.00 0.00 H ATOM 1244 HB ILE A 83 4.884 0.116 1.521 1.00 0.00 H ATOM 1245 HG12 ILE A 83 7.237 1.033 0.147 1.00 0.00 H ATOM 1246 HG13 ILE A 83 7.485 -0.640 0.645 1.00 0.00 H ATOM 1247 HG21 ILE A 83 6.249 1.931 3.145 1.00 0.00 H ATOM 1248 HG22 ILE A 83 6.796 2.320 1.514 1.00 0.00 H ATOM 1249 HG23 ILE A 83 5.074 2.336 1.894 1.00 0.00 H ATOM 1250 HD11 ILE A 83 5.131 -1.090 -0.295 1.00 0.00 H ATOM 1251 HD12 ILE A 83 5.273 0.485 -1.075 1.00 0.00 H ATOM 1252 HD13 ILE A 83 6.415 -0.799 -1.469 1.00 0.00 H ATOM 1253 N GLY A 84 8.832 -0.919 2.591 1.00 0.00 N ATOM 1254 CA GLY A 84 10.276 -0.643 2.832 1.00 0.00 C ATOM 1255 C GLY A 84 11.083 -1.924 2.618 1.00 0.00 C ATOM 1256 O GLY A 84 11.646 -2.075 1.546 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.123 -2.735 3.529 1.00 0.00 O ATOM 1258 H GLY A 84 8.565 -1.676 2.029 1.00 0.00 H ATOM 1259 HA2 GLY A 84 10.616 0.118 2.144 1.00 0.00 H ATOM 1260 HA3 GLY A 84 10.414 -0.301 3.846 1.00 0.00 H TER 1261 GLY A 84