USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) HEADER TRANSFERASE 05-NOV-99 1DCZ TITLE BIOTIN CARBOXYL CARRIER DOMAIN OF TRANSCARBOXYLASE (TC 1.3S) COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCARBOXYLASE 1.3S SUBUNIT; COMPND 3 CHAIN: A; COMPND 4 EC: 2.1.3.1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII SOURCE 3 SUBSP. SHERMANII; SOURCE 4 ORGANISM_TAXID: 1752; SOURCE 5 STRAIN: SUBSP. SHERMANII; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HB101; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET20B KEYWDS ANTIPARALLEL BETA SHEET, HAMMERHEAD, BIOCYTIN, TRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR D.V.REDDY,B.C.SHENOY,P.R.CAREY,F.D.SONNICHSEN REVDAT 2 24-FEB-09 1DCZ 1 VERSN REVDAT 1 10-MAY-00 1DCZ 0 JRNL AUTH D.V.REDDY,B.C.SHENOY,P.R.CAREY,F.D.SONNICHSEN JRNL TITL HIGH RESOLUTION SOLUTION STRUCTURE OF THE 1.3S JRNL TITL 2 SUBUNIT OF TRANSCARBOXYLASE FROM PROPIONIBACTERIUM JRNL TITL 3 SHERMANII. JRNL REF BIOCHEMISTRY V. 39 2509 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 10704200 JRNL DOI 10.1021/BI9925367 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.V.REDDY,S.ROTHEMUND,B.C.SHENOY,P.R.CAREY, REMARK 1 AUTH 2 F.D.SONNICHSEN REMARK 1 TITL STRUCTURAL CHARACTERIZATION OF THE ENTIRE 1.3S REMARK 1 TITL 2 SUBUNIT OF TRANSCARBOXYLASE FROM PROPIONIBACTERIUM REMARK 1 TITL 3 SHERMANII REMARK 1 REF PROTEIN SCI. V. 7 2156 1998 REMARK 1 REFN ISSN 0961-8368 REMARK 1 REFERENCE 2 REMARK 1 AUTH D.V.REDDY,B.C.SHENOY,P.R.CAREY,F.D.SONNICHSEN REMARK 1 TITL ABSENCE OF OBSERVABLE BIOTIN-PROTEIN INTERACTIONS REMARK 1 TITL 2 IN THE 1.3S SUBUNIT OF TRANSCARBOXYLASE: AN NMR REMARK 1 TITL 3 STUDY REMARK 1 REF BIOCHEMISTRY V. 36 14676 1997 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI971674Y REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.81 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: DG_SUB_EMBED, DGSA, REFINE WITH REMARK 3 DIRECT J-REFINEMENT REMARK 4 REMARK 4 1DCZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-NOV-99. REMARK 100 THE RCSB ID CODE IS RCSB009980. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 20 REMARK 210 PH : 6.7 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 2 MM PROTEIN, N15/C13 LABELED REMARK 210 TC 1.3S 1-123, BIOTIN REMARK 210 (UNLABELED) COVALENTLY REMARK 210 ATTACHED TO LYS 89; 2 MM REMARK 210 PROTEIN,N15/C13 LABELED, TC REMARK 210 1.3S 1-123, BIOTIN (UNLABELED) REMARK 210 COVALENTLY ATTACHED TO LYS 89; REMARK 210 2MM PROTEIN, N15 LABELED, TC REMARK 210 1.3S 1-123, BIOTIN (UNLABELED) REMARK 210 COVALENTLY ATTACHED TO LYS 89 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, HNHA, 4D_ REMARK 210 13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE SGI6X.M4, PIPP 3.7.3, REMARK 210 X-PLOR 3.81 REMARK 210 METHOD USED : DISTANCE GEOMETRY/SIMULATED REMARK 210 ANNEALING HYBRID METHOD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: BIOTIN ATTACHED TO LYS 89 WAS OMITTED FROM COORDINATES. REMARK 210 RESIDUES 1-46 APPEARED UNSTRUCTURED, OMITTED FROM CALCULATIONS REMARK 210 AND COORDINATES. 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 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 72 101.93 -59.32 REMARK 500 ALA A 78 98.35 -60.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 110 0.26 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DD2 RELATED DB: PDB REMARK 900 ENSEMBLE OF 32 STRUCTURES DBREF 1DCZ A 47 123 UNP P02904 BCCP_PROFR 47 123 SEQRES 1 A 77 ALA GLY ALA GLY LYS ALA GLY GLU GLY GLU ILE PRO ALA SEQRES 2 A 77 PRO LEU ALA GLY THR VAL SER LYS ILE LEU VAL LYS GLU SEQRES 3 A 77 GLY ASP THR VAL LYS ALA GLY GLN THR VAL LEU VAL LEU SEQRES 4 A 77 GLU ALA MET LYS MET GLU THR GLU ILE ASN ALA PRO THR SEQRES 5 A 77 ASP GLY LYS VAL GLU LYS VAL LEU VAL LYS GLU ARG ASP SEQRES 6 A 77 ALA VAL GLN GLY GLY GLN GLY LEU ILE LYS ILE GLY SHEET 1 A 4 GLU A 56 PRO A 58 0 SHEET 2 A 4 GLY A 118 ILE A 122 -1 N LEU A 119 O ILE A 57 SHEET 3 A 4 GLY A 100 VAL A 105 -1 N GLU A 103 O LYS A 121 SHEET 4 A 4 THR A 75 VAL A 76 -1 N VAL A 76 O GLY A 100 SHEET 1 B 3 THR A 64 ILE A 68 0 SHEET 2 B 3 THR A 81 ALA A 87 -1 N VAL A 84 O LYS A 67 SHEET 3 B 3 MET A 90 ASN A 95 -1 O MET A 90 N ALA A 87 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot -32:sc= 0.12 USER MOD Set 1.2: A 95 ASN : amide:sc= -0.692 K(o=-0.57,f=-4.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 105:sc= 0.982 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc=-0.00969 K(o=-0.0097,f=-0.94) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 17.858 9.876 -6.108 1.00 32.00 N ATOM 2 CA ALA A 47 18.611 9.528 -4.871 1.00 32.00 C ATOM 3 C ALA A 47 17.701 8.734 -3.938 1.00 32.00 C ATOM 4 O ALA A 47 17.782 8.854 -2.716 1.00 32.00 O ATOM 5 CB ALA A 47 19.099 10.783 -4.144 1.00 32.00 C ATOM 0 HA ALA A 47 19.481 8.935 -5.155 1.00 32.00 H new ATOM 0 HB1 ALA A 47 19.645 10.494 -3.246 1.00 32.00 H new ATOM 0 HB2 ALA A 47 19.757 11.351 -4.801 1.00 32.00 H new ATOM 0 HB3 ALA A 47 18.243 11.399 -3.866 1.00 32.00 H new ATOM 13 N GLY A 48 16.833 7.919 -4.531 1.00 32.00 N ATOM 14 CA GLY A 48 15.908 7.105 -3.746 1.00 32.00 C ATOM 15 C GLY A 48 15.334 5.972 -4.589 1.00 32.00 C ATOM 16 O GLY A 48 14.864 6.187 -5.706 1.00 32.00 O ATOM 0 H GLY A 48 16.750 7.805 -5.541 1.00 32.00 H new ATOM 0 HA2 GLY A 48 16.425 6.693 -2.879 1.00 32.00 H new ATOM 0 HA3 GLY A 48 15.098 7.729 -3.368 1.00 32.00 H new ATOM 20 N ALA A 49 15.377 4.762 -4.040 1.00 32.00 N ATOM 21 CA ALA A 49 14.857 3.595 -4.749 1.00 32.00 C ATOM 22 C ALA A 49 13.332 3.589 -4.716 1.00 32.00 C ATOM 23 O ALA A 49 12.677 3.162 -5.666 1.00 32.00 O ATOM 24 CB ALA A 49 15.375 2.306 -4.110 1.00 32.00 C ATOM 0 H ALA A 49 15.762 4.563 -3.117 1.00 32.00 H new ATOM 0 HA ALA A 49 15.198 3.649 -5.783 1.00 32.00 H new ATOM 0 HB1 ALA A 49 14.978 1.447 -4.651 1.00 32.00 H new ATOM 0 HB2 ALA A 49 16.464 2.290 -4.154 1.00 32.00 H new ATOM 0 HB3 ALA A 49 15.053 2.261 -3.070 1.00 32.00 H new ATOM 30 N GLY A 50 12.775 4.069 -3.607 1.00 32.00 N ATOM 31 CA GLY A 50 11.324 4.117 -3.454 1.00 32.00 C ATOM 32 C GLY A 50 10.944 4.497 -2.027 1.00 32.00 C ATOM 33 O GLY A 50 11.348 3.843 -1.066 1.00 32.00 O ATOM 0 H GLY A 50 13.300 4.427 -2.809 1.00 32.00 H new ATOM 0 HA2 GLY A 50 10.904 4.841 -4.152 1.00 32.00 H new ATOM 0 HA3 GLY A 50 10.895 3.147 -3.704 1.00 32.00 H new ATOM 37 N LYS A 51 10.161 5.564 -1.901 1.00 32.00 N ATOM 38 CA LYS A 51 9.728 6.028 -0.585 1.00 32.00 C ATOM 39 C LYS A 51 8.385 6.746 -0.687 1.00 32.00 C ATOM 40 O LYS A 51 7.915 7.062 -1.780 1.00 32.00 O ATOM 41 CB LYS A 51 10.761 6.986 0.014 1.00 32.00 C ATOM 42 CG LYS A 51 11.070 8.100 -0.989 1.00 32.00 C ATOM 43 CD LYS A 51 11.838 9.222 -0.287 1.00 32.00 C ATOM 44 CE LYS A 51 13.213 8.709 0.145 1.00 32.00 C ATOM 45 NZ LYS A 51 14.111 9.829 0.544 1.00 32.00 N ATOM 0 H LYS A 51 9.816 6.119 -2.684 1.00 32.00 H new ATOM 0 HA LYS A 51 9.626 5.156 0.061 1.00 32.00 H new ATOM 0 HB2 LYS A 51 10.381 7.413 0.942 1.00 32.00 H new ATOM 0 HB3 LYS A 51 11.673 6.444 0.263 1.00 32.00 H new ATOM 0 HG2 LYS A 51 11.659 7.705 -1.817 1.00 32.00 H new ATOM 0 HG3 LYS A 51 10.144 8.489 -1.413 1.00 32.00 H new ATOM 0 HD2 LYS A 51 11.951 10.074 -0.957 1.00 32.00 H new ATOM 0 HD3 LYS A 51 11.279 9.571 0.581 1.00 32.00 H new ATOM 0 HE2 LYS A 51 13.099 8.017 0.980 1.00 32.00 H new ATOM 0 HE3 LYS A 51 13.668 8.150 -0.673 1.00 32.00 H new ATOM 0 HZ1 LYS A 51 15.035 9.448 0.831 1.00 32.00 H new ATOM 0 HZ2 LYS A 51 14.238 10.475 -0.261 1.00 32.00 H new ATOM 0 HZ3 LYS A 51 13.687 10.347 1.340 1.00 32.00 H new ATOM 59 N ALA A 52 7.774 6.997 0.467 1.00 32.00 N ATOM 60 CA ALA A 52 6.482 7.676 0.504 1.00 32.00 C ATOM 61 C ALA A 52 6.457 8.708 1.628 1.00 32.00 C ATOM 62 O ALA A 52 7.427 8.861 2.371 1.00 32.00 O ATOM 63 CB ALA A 52 5.353 6.664 0.722 1.00 32.00 C ATOM 0 H ALA A 52 8.148 6.743 1.381 1.00 32.00 H new ATOM 0 HA ALA A 52 6.335 8.179 -0.452 1.00 32.00 H new ATOM 0 HB1 ALA A 52 4.396 7.186 0.747 1.00 32.00 H new ATOM 0 HB2 ALA A 52 5.350 5.941 -0.093 1.00 32.00 H new ATOM 0 HB3 ALA A 52 5.508 6.144 1.668 1.00 32.00 H new ATOM 69 N GLY A 53 5.336 9.414 1.746 1.00 32.00 N ATOM 70 CA GLY A 53 5.196 10.428 2.787 1.00 32.00 C ATOM 71 C GLY A 53 4.092 11.422 2.439 1.00 32.00 C ATOM 72 O GLY A 53 3.149 11.617 3.207 1.00 32.00 O ATOM 0 H GLY A 53 4.521 9.305 1.142 1.00 32.00 H new ATOM 0 HA2 GLY A 53 4.971 9.948 3.739 1.00 32.00 H new ATOM 0 HA3 GLY A 53 6.140 10.958 2.913 1.00 32.00 H new ATOM 76 N GLU A 54 4.222 12.054 1.276 1.00 32.00 N ATOM 77 CA GLU A 54 3.231 13.034 0.839 1.00 32.00 C ATOM 78 C GLU A 54 2.258 12.413 -0.158 1.00 32.00 C ATOM 79 O GLU A 54 2.546 12.315 -1.351 1.00 32.00 O ATOM 80 CB GLU A 54 3.918 14.233 0.183 1.00 32.00 C ATOM 81 CG GLU A 54 4.249 15.280 1.249 1.00 32.00 C ATOM 82 CD GLU A 54 4.585 16.605 0.574 1.00 32.00 C ATOM 83 OE1 GLU A 54 3.733 17.122 -0.130 1.00 32.00 O ATOM 84 OE2 GLU A 54 5.690 17.084 0.772 1.00 32.00 O ATOM 0 H GLU A 54 4.994 11.908 0.625 1.00 32.00 H new ATOM 0 HA GLU A 54 2.680 13.365 1.720 1.00 32.00 H new ATOM 0 HB2 GLU A 54 4.829 13.912 -0.321 1.00 32.00 H new ATOM 0 HB3 GLU A 54 3.268 14.666 -0.578 1.00 32.00 H new ATOM 0 HG2 GLU A 54 3.402 15.408 1.923 1.00 32.00 H new ATOM 0 HG3 GLU A 54 5.091 14.944 1.854 1.00 32.00 H new ATOM 91 N GLY A 55 1.099 11.999 0.346 1.00 32.00 N ATOM 92 CA GLY A 55 0.080 11.392 -0.506 1.00 32.00 C ATOM 93 C GLY A 55 0.250 9.879 -0.564 1.00 32.00 C ATOM 94 O GLY A 55 -0.680 9.123 -0.282 1.00 32.00 O ATOM 0 H GLY A 55 0.843 12.071 1.331 1.00 32.00 H new ATOM 0 HA2 GLY A 55 -0.911 11.636 -0.124 1.00 32.00 H new ATOM 0 HA3 GLY A 55 0.146 11.808 -1.511 1.00 32.00 H new ATOM 98 N GLU A 56 1.450 9.446 -0.935 1.00 32.00 N ATOM 99 CA GLU A 56 1.738 8.018 -1.032 1.00 32.00 C ATOM 100 C GLU A 56 2.034 7.438 0.347 1.00 32.00 C ATOM 101 O GLU A 56 2.836 7.982 1.107 1.00 32.00 O ATOM 102 CB GLU A 56 2.945 7.779 -1.939 1.00 32.00 C ATOM 103 CG GLU A 56 2.709 8.451 -3.293 1.00 32.00 C ATOM 104 CD GLU A 56 4.019 8.503 -4.071 1.00 32.00 C ATOM 105 OE1 GLU A 56 4.534 7.446 -4.396 1.00 32.00 O ATOM 106 OE2 GLU A 56 4.488 9.598 -4.331 1.00 32.00 O ATOM 0 H GLU A 56 2.233 10.056 -1.172 1.00 32.00 H new ATOM 0 HA GLU A 56 0.861 7.526 -1.453 1.00 32.00 H new ATOM 0 HB2 GLU A 56 3.846 8.179 -1.475 1.00 32.00 H new ATOM 0 HB3 GLU A 56 3.104 6.709 -2.075 1.00 32.00 H new ATOM 0 HG2 GLU A 56 1.959 7.898 -3.859 1.00 32.00 H new ATOM 0 HG3 GLU A 56 2.320 9.459 -3.148 1.00 32.00 H new ATOM 113 N ILE A 57 1.379 6.324 0.660 1.00 32.00 N ATOM 114 CA ILE A 57 1.583 5.672 1.951 1.00 32.00 C ATOM 115 C ILE A 57 2.849 4.808 1.909 1.00 32.00 C ATOM 116 O ILE A 57 3.022 4.003 0.994 1.00 32.00 O ATOM 117 CB ILE A 57 0.385 4.782 2.297 1.00 32.00 C ATOM 118 CG1 ILE A 57 -0.906 5.599 2.194 1.00 32.00 C ATOM 119 CG2 ILE A 57 0.536 4.252 3.724 1.00 32.00 C ATOM 120 CD1 ILE A 57 -2.111 4.661 2.281 1.00 32.00 C ATOM 0 H ILE A 57 0.710 5.858 0.047 1.00 32.00 H new ATOM 0 HA ILE A 57 1.689 6.446 2.711 1.00 32.00 H new ATOM 0 HB ILE A 57 0.344 3.945 1.600 1.00 32.00 H new ATOM 0 HG12 ILE A 57 -0.947 6.337 2.995 1.00 32.00 H new ATOM 0 HG13 ILE A 57 -0.927 6.149 1.253 1.00 32.00 H new ATOM 0 HG21 ILE A 57 -0.317 3.619 3.969 1.00 32.00 H new ATOM 0 HG22 ILE A 57 1.454 3.670 3.801 1.00 32.00 H new ATOM 0 HG23 ILE A 57 0.578 5.089 4.421 1.00 32.00 H new ATOM 0 HD11 ILE A 57 -3.030 5.242 2.208 1.00 32.00 H new ATOM 0 HD12 ILE A 57 -2.071 3.941 1.464 1.00 32.00 H new ATOM 0 HD13 ILE A 57 -2.092 4.131 3.233 1.00 32.00 H new ATOM 132 N PRO A 58 3.753 4.959 2.890 1.00 32.00 N ATOM 133 CA PRO A 58 4.996 4.176 2.931 1.00 32.00 C ATOM 134 C PRO A 58 4.754 2.728 3.350 1.00 32.00 C ATOM 135 O PRO A 58 3.960 2.451 4.249 1.00 32.00 O ATOM 136 CB PRO A 58 5.851 4.893 3.971 1.00 32.00 C ATOM 137 CG PRO A 58 4.881 5.592 4.860 1.00 32.00 C ATOM 138 CD PRO A 58 3.660 5.886 4.035 1.00 32.00 C ATOM 0 HA PRO A 58 5.465 4.118 1.949 1.00 32.00 H new ATOM 0 HB2 PRO A 58 6.462 4.187 4.533 1.00 32.00 H new ATOM 0 HB3 PRO A 58 6.534 5.600 3.500 1.00 32.00 H new ATOM 0 HG2 PRO A 58 4.626 4.969 5.717 1.00 32.00 H new ATOM 0 HG3 PRO A 58 5.312 6.513 5.252 1.00 32.00 H new ATOM 0 HD2 PRO A 58 2.746 5.721 4.606 1.00 32.00 H new ATOM 0 HD3 PRO A 58 3.646 6.925 3.704 1.00 32.00 H new ATOM 146 N ALA A 59 5.449 1.808 2.688 1.00 32.00 N ATOM 147 CA ALA A 59 5.305 0.389 2.998 1.00 32.00 C ATOM 148 C ALA A 59 6.051 0.048 4.291 1.00 32.00 C ATOM 149 O ALA A 59 7.072 0.659 4.604 1.00 32.00 O ATOM 150 CB ALA A 59 5.861 -0.468 1.859 1.00 32.00 C ATOM 0 H ALA A 59 6.111 2.016 1.941 1.00 32.00 H new ATOM 0 HA ALA A 59 4.243 0.177 3.124 1.00 32.00 H new ATOM 0 HB1 ALA A 59 5.745 -1.523 2.108 1.00 32.00 H new ATOM 0 HB2 ALA A 59 5.317 -0.250 0.940 1.00 32.00 H new ATOM 0 HB3 ALA A 59 6.918 -0.243 1.717 1.00 32.00 H new ATOM 156 N PRO A 60 5.549 -0.930 5.058 1.00 32.00 N ATOM 157 CA PRO A 60 6.183 -1.340 6.321 1.00 32.00 C ATOM 158 C PRO A 60 7.482 -2.110 6.095 1.00 32.00 C ATOM 159 O PRO A 60 8.393 -2.074 6.922 1.00 32.00 O ATOM 160 CB PRO A 60 5.139 -2.237 6.981 1.00 32.00 C ATOM 161 CG PRO A 60 4.313 -2.764 5.859 1.00 32.00 C ATOM 162 CD PRO A 60 4.337 -1.723 4.777 1.00 32.00 C ATOM 0 HA PRO A 60 6.462 -0.479 6.928 1.00 32.00 H new ATOM 0 HB2 PRO A 60 5.611 -3.047 7.537 1.00 32.00 H new ATOM 0 HB3 PRO A 60 4.529 -1.676 7.690 1.00 32.00 H new ATOM 0 HG2 PRO A 60 4.714 -3.710 5.495 1.00 32.00 H new ATOM 0 HG3 PRO A 60 3.292 -2.956 6.188 1.00 32.00 H new ATOM 0 HD2 PRO A 60 4.381 -2.179 3.788 1.00 32.00 H new ATOM 0 HD3 PRO A 60 3.441 -1.102 4.803 1.00 32.00 H new ATOM 170 N LEU A 61 7.555 -2.806 4.965 1.00 32.00 N ATOM 171 CA LEU A 61 8.746 -3.584 4.636 1.00 32.00 C ATOM 172 C LEU A 61 8.746 -3.960 3.158 1.00 32.00 C ATOM 173 O LEU A 61 7.706 -3.950 2.500 1.00 32.00 O ATOM 174 CB LEU A 61 8.801 -4.861 5.475 1.00 32.00 C ATOM 175 CG LEU A 61 7.494 -5.656 5.548 1.00 32.00 C ATOM 176 CD1 LEU A 61 7.453 -6.677 4.409 1.00 32.00 C ATOM 177 CD2 LEU A 61 7.415 -6.387 6.890 1.00 32.00 C ATOM 0 H LEU A 61 6.812 -2.848 4.267 1.00 32.00 H new ATOM 0 HA LEU A 61 9.619 -2.969 4.854 1.00 32.00 H new ATOM 0 HB2 LEU A 61 9.578 -5.509 5.069 1.00 32.00 H new ATOM 0 HB3 LEU A 61 9.103 -4.597 6.489 1.00 32.00 H new ATOM 0 HG LEU A 61 6.649 -4.974 5.455 1.00 32.00 H new ATOM 0 HD11 LEU A 61 6.523 -7.243 4.461 1.00 32.00 H new ATOM 0 HD12 LEU A 61 7.509 -6.157 3.452 1.00 32.00 H new ATOM 0 HD13 LEU A 61 8.298 -7.359 4.501 1.00 32.00 H new ATOM 0 HD21 LEU A 61 6.485 -6.953 6.942 1.00 32.00 H new ATOM 0 HD22 LEU A 61 8.260 -7.069 6.983 1.00 32.00 H new ATOM 0 HD23 LEU A 61 7.444 -5.661 7.702 1.00 32.00 H new ATOM 189 N ALA A 62 9.927 -4.293 2.645 1.00 32.00 N ATOM 190 CA ALA A 62 10.057 -4.673 1.241 1.00 32.00 C ATOM 191 C ALA A 62 9.576 -6.105 1.031 1.00 32.00 C ATOM 192 O ALA A 62 10.326 -7.062 1.222 1.00 32.00 O ATOM 193 CB ALA A 62 11.514 -4.565 0.789 1.00 32.00 C ATOM 0 H ALA A 62 10.799 -4.308 3.173 1.00 32.00 H new ATOM 0 HA ALA A 62 9.444 -3.993 0.650 1.00 32.00 H new ATOM 0 HB1 ALA A 62 11.592 -4.852 -0.260 1.00 32.00 H new ATOM 0 HB2 ALA A 62 11.857 -3.538 0.911 1.00 32.00 H new ATOM 0 HB3 ALA A 62 12.133 -5.228 1.394 1.00 32.00 H new ATOM 199 N GLY A 63 8.313 -6.240 0.635 1.00 32.00 N ATOM 200 CA GLY A 63 7.736 -7.561 0.400 1.00 32.00 C ATOM 201 C GLY A 63 7.158 -7.657 -1.007 1.00 32.00 C ATOM 202 O GLY A 63 7.721 -7.122 -1.963 1.00 32.00 O ATOM 0 H GLY A 63 7.676 -5.461 0.472 1.00 32.00 H new ATOM 0 HA2 GLY A 63 8.500 -8.326 0.537 1.00 32.00 H new ATOM 0 HA3 GLY A 63 6.954 -7.757 1.133 1.00 32.00 H new ATOM 206 N THR A 64 6.026 -8.345 -1.124 1.00 32.00 N ATOM 207 CA THR A 64 5.376 -8.508 -2.421 1.00 32.00 C ATOM 208 C THR A 64 3.868 -8.324 -2.288 1.00 32.00 C ATOM 209 O THR A 64 3.255 -8.778 -1.322 1.00 32.00 O ATOM 210 CB THR A 64 5.660 -9.899 -2.992 1.00 32.00 C ATOM 211 OG1 THR A 64 7.053 -10.165 -2.916 1.00 32.00 O ATOM 212 CG2 THR A 64 5.207 -9.956 -4.452 1.00 32.00 C ATOM 0 H THR A 64 5.544 -8.794 -0.346 1.00 32.00 H new ATOM 0 HA THR A 64 5.777 -7.751 -3.095 1.00 32.00 H new ATOM 0 HB THR A 64 5.115 -10.647 -2.416 1.00 32.00 H new ATOM 0 HG1 THR A 64 7.236 -11.056 -3.280 1.00 32.00 H new ATOM 0 HG21 THR A 64 5.410 -10.947 -4.857 1.00 32.00 H new ATOM 0 HG22 THR A 64 4.138 -9.752 -4.509 1.00 32.00 H new ATOM 0 HG23 THR A 64 5.750 -9.209 -5.031 1.00 32.00 H new ATOM 220 N VAL A 65 3.276 -7.653 -3.272 1.00 32.00 N ATOM 221 CA VAL A 65 1.835 -7.412 -3.259 1.00 32.00 C ATOM 222 C VAL A 65 1.080 -8.713 -3.517 1.00 32.00 C ATOM 223 O VAL A 65 1.334 -9.411 -4.498 1.00 32.00 O ATOM 224 CB VAL A 65 1.449 -6.389 -4.331 1.00 32.00 C ATOM 225 CG1 VAL A 65 -0.023 -6.007 -4.168 1.00 32.00 C ATOM 226 CG2 VAL A 65 2.318 -5.138 -4.181 1.00 32.00 C ATOM 0 H VAL A 65 3.765 -7.270 -4.081 1.00 32.00 H new ATOM 0 HA VAL A 65 1.567 -7.021 -2.277 1.00 32.00 H new ATOM 0 HB VAL A 65 1.605 -6.824 -5.318 1.00 32.00 H new ATOM 0 HG11 VAL A 65 -0.297 -5.279 -4.932 1.00 32.00 H new ATOM 0 HG12 VAL A 65 -0.644 -6.896 -4.276 1.00 32.00 H new ATOM 0 HG13 VAL A 65 -0.179 -5.573 -3.180 1.00 32.00 H new ATOM 0 HG21 VAL A 65 2.043 -4.410 -4.944 1.00 32.00 H new ATOM 0 HG22 VAL A 65 2.163 -4.704 -3.193 1.00 32.00 H new ATOM 0 HG23 VAL A 65 3.368 -5.408 -4.299 1.00 32.00 H new ATOM 236 N SER A 66 0.149 -9.030 -2.621 1.00 32.00 N ATOM 237 CA SER A 66 -0.639 -10.251 -2.758 1.00 32.00 C ATOM 238 C SER A 66 -2.005 -9.941 -3.363 1.00 32.00 C ATOM 239 O SER A 66 -2.409 -10.540 -4.360 1.00 32.00 O ATOM 240 CB SER A 66 -0.838 -10.916 -1.396 1.00 32.00 C ATOM 241 OG SER A 66 -0.920 -12.325 -1.569 1.00 32.00 O ATOM 0 H SER A 66 -0.076 -8.466 -1.802 1.00 32.00 H new ATOM 0 HA SER A 66 -0.095 -10.928 -3.417 1.00 32.00 H new ATOM 0 HB2 SER A 66 -0.010 -10.667 -0.732 1.00 32.00 H new ATOM 0 HB3 SER A 66 -1.747 -10.542 -0.925 1.00 32.00 H new ATOM 0 HG SER A 66 -0.082 -12.740 -1.275 1.00 32.00 H new ATOM 247 N LYS A 67 -2.713 -8.999 -2.745 1.00 32.00 N ATOM 248 CA LYS A 67 -4.037 -8.617 -3.229 1.00 32.00 C ATOM 249 C LYS A 67 -4.344 -7.168 -2.860 1.00 32.00 C ATOM 250 O LYS A 67 -3.897 -6.666 -1.829 1.00 32.00 O ATOM 251 CB LYS A 67 -5.109 -9.526 -2.623 1.00 32.00 C ATOM 252 CG LYS A 67 -6.463 -9.231 -3.274 1.00 32.00 C ATOM 253 CD LYS A 67 -7.288 -10.518 -3.343 1.00 32.00 C ATOM 254 CE LYS A 67 -8.773 -10.180 -3.203 1.00 32.00 C ATOM 255 NZ LYS A 67 -9.599 -11.412 -3.052 1.00 32.00 N ATOM 0 H LYS A 67 -2.397 -8.492 -1.918 1.00 32.00 H new ATOM 0 HA LYS A 67 -4.043 -8.722 -4.314 1.00 32.00 H new ATOM 0 HB2 LYS A 67 -4.841 -10.572 -2.775 1.00 32.00 H new ATOM 0 HB3 LYS A 67 -5.169 -9.366 -1.547 1.00 32.00 H new ATOM 0 HG2 LYS A 67 -6.997 -8.474 -2.700 1.00 32.00 H new ATOM 0 HG3 LYS A 67 -6.316 -8.826 -4.275 1.00 32.00 H new ATOM 0 HD2 LYS A 67 -7.108 -11.028 -4.289 1.00 32.00 H new ATOM 0 HD3 LYS A 67 -6.983 -11.201 -2.550 1.00 32.00 H new ATOM 0 HE2 LYS A 67 -8.921 -9.533 -2.338 1.00 32.00 H new ATOM 0 HE3 LYS A 67 -9.105 -9.622 -4.079 1.00 32.00 H new ATOM 0 HZ1 LYS A 67 -10.601 -11.149 -2.959 1.00 32.00 H new ATOM 0 HZ2 LYS A 67 -9.476 -12.017 -3.889 1.00 32.00 H new ATOM 0 HZ3 LYS A 67 -9.297 -11.930 -2.202 1.00 32.00 H new ATOM 269 N ILE A 68 -5.117 -6.505 -3.716 1.00 32.00 N ATOM 270 CA ILE A 68 -5.487 -5.113 -3.476 1.00 32.00 C ATOM 271 C ILE A 68 -6.896 -5.038 -2.894 1.00 32.00 C ATOM 272 O ILE A 68 -7.827 -5.662 -3.404 1.00 32.00 O ATOM 273 CB ILE A 68 -5.440 -4.311 -4.779 1.00 32.00 C ATOM 274 CG1 ILE A 68 -4.077 -4.502 -5.451 1.00 32.00 C ATOM 275 CG2 ILE A 68 -5.650 -2.826 -4.476 1.00 32.00 C ATOM 276 CD1 ILE A 68 -4.179 -4.125 -6.929 1.00 32.00 C ATOM 0 H ILE A 68 -5.496 -6.904 -4.574 1.00 32.00 H new ATOM 0 HA ILE A 68 -4.774 -4.689 -2.769 1.00 32.00 H new ATOM 0 HB ILE A 68 -6.228 -4.662 -5.445 1.00 32.00 H new ATOM 0 HG12 ILE A 68 -3.327 -3.884 -4.958 1.00 32.00 H new ATOM 0 HG13 ILE A 68 -3.752 -5.538 -5.351 1.00 32.00 H new ATOM 0 HG21 ILE A 68 -5.616 -2.257 -5.405 1.00 32.00 H new ATOM 0 HG22 ILE A 68 -6.620 -2.686 -3.999 1.00 32.00 H new ATOM 0 HG23 ILE A 68 -4.863 -2.476 -3.807 1.00 32.00 H new ATOM 0 HD11 ILE A 68 -3.209 -4.261 -7.407 1.00 32.00 H new ATOM 0 HD12 ILE A 68 -4.916 -4.762 -7.417 1.00 32.00 H new ATOM 0 HD13 ILE A 68 -4.484 -3.083 -7.018 1.00 32.00 H new ATOM 288 N LEU A 69 -7.042 -4.270 -1.818 1.00 32.00 N ATOM 289 CA LEU A 69 -8.343 -4.124 -1.171 1.00 32.00 C ATOM 290 C LEU A 69 -9.015 -2.824 -1.602 1.00 32.00 C ATOM 291 O LEU A 69 -10.238 -2.755 -1.728 1.00 32.00 O ATOM 292 CB LEU A 69 -8.189 -4.122 0.351 1.00 32.00 C ATOM 293 CG LEU A 69 -8.051 -5.502 0.999 1.00 32.00 C ATOM 294 CD1 LEU A 69 -7.316 -5.368 2.333 1.00 32.00 C ATOM 295 CD2 LEU A 69 -9.443 -6.091 1.241 1.00 32.00 C ATOM 0 H LEU A 69 -6.286 -3.745 -1.380 1.00 32.00 H new ATOM 0 HA LEU A 69 -8.961 -4.969 -1.473 1.00 32.00 H new ATOM 0 HB2 LEU A 69 -7.312 -3.529 0.610 1.00 32.00 H new ATOM 0 HB3 LEU A 69 -9.053 -3.620 0.786 1.00 32.00 H new ATOM 0 HG LEU A 69 -7.486 -6.160 0.338 1.00 32.00 H new ATOM 0 HD11 LEU A 69 -7.218 -6.351 2.795 1.00 32.00 H new ATOM 0 HD12 LEU A 69 -6.325 -4.947 2.162 1.00 32.00 H new ATOM 0 HD13 LEU A 69 -7.880 -4.711 2.995 1.00 32.00 H new ATOM 0 HD21 LEU A 69 -9.347 -7.074 1.702 1.00 32.00 H new ATOM 0 HD22 LEU A 69 -10.007 -5.433 1.903 1.00 32.00 H new ATOM 0 HD23 LEU A 69 -9.968 -6.186 0.291 1.00 32.00 H new ATOM 307 N VAL A 70 -8.205 -1.793 -1.825 1.00 32.00 N ATOM 308 CA VAL A 70 -8.738 -0.498 -2.239 1.00 32.00 C ATOM 309 C VAL A 70 -8.393 -0.213 -3.697 1.00 32.00 C ATOM 310 O VAL A 70 -7.341 -0.617 -4.194 1.00 32.00 O ATOM 311 CB VAL A 70 -8.175 0.622 -1.360 1.00 32.00 C ATOM 312 CG1 VAL A 70 -8.622 0.407 0.086 1.00 32.00 C ATOM 313 CG2 VAL A 70 -6.644 0.610 -1.424 1.00 32.00 C ATOM 0 H VAL A 70 -7.190 -1.827 -1.728 1.00 32.00 H new ATOM 0 HA VAL A 70 -9.822 -0.534 -2.128 1.00 32.00 H new ATOM 0 HB VAL A 70 -8.545 1.582 -1.720 1.00 32.00 H new ATOM 0 HG11 VAL A 70 -8.222 1.204 0.713 1.00 32.00 H new ATOM 0 HG12 VAL A 70 -9.711 0.418 0.136 1.00 32.00 H new ATOM 0 HG13 VAL A 70 -8.253 -0.555 0.442 1.00 32.00 H new ATOM 0 HG21 VAL A 70 -6.247 1.409 -0.797 1.00 32.00 H new ATOM 0 HG22 VAL A 70 -6.272 -0.350 -1.067 1.00 32.00 H new ATOM 0 HG23 VAL A 70 -6.322 0.763 -2.454 1.00 32.00 H new ATOM 323 N LYS A 71 -9.293 0.493 -4.373 1.00 32.00 N ATOM 324 CA LYS A 71 -9.082 0.839 -5.775 1.00 32.00 C ATOM 325 C LYS A 71 -9.449 2.299 -6.015 1.00 32.00 C ATOM 326 O LYS A 71 -10.153 2.916 -5.216 1.00 32.00 O ATOM 327 CB LYS A 71 -9.938 -0.047 -6.682 1.00 32.00 C ATOM 328 CG LYS A 71 -11.399 0.018 -6.231 1.00 32.00 C ATOM 329 CD LYS A 71 -12.295 -0.596 -7.309 1.00 32.00 C ATOM 330 CE LYS A 71 -13.480 -1.302 -6.649 1.00 32.00 C ATOM 331 NZ LYS A 71 -14.244 -2.119 -7.633 1.00 32.00 N ATOM 0 H LYS A 71 -10.169 0.835 -3.977 1.00 32.00 H new ATOM 0 HA LYS A 71 -8.029 0.681 -6.009 1.00 32.00 H new ATOM 0 HB2 LYS A 71 -9.851 0.283 -7.717 1.00 32.00 H new ATOM 0 HB3 LYS A 71 -9.581 -1.076 -6.645 1.00 32.00 H new ATOM 0 HG2 LYS A 71 -11.524 -0.518 -5.290 1.00 32.00 H new ATOM 0 HG3 LYS A 71 -11.689 1.053 -6.049 1.00 32.00 H new ATOM 0 HD2 LYS A 71 -12.652 0.181 -7.985 1.00 32.00 H new ATOM 0 HD3 LYS A 71 -11.725 -1.305 -7.910 1.00 32.00 H new ATOM 0 HE2 LYS A 71 -13.121 -1.942 -5.843 1.00 32.00 H new ATOM 0 HE3 LYS A 71 -14.141 -0.562 -6.198 1.00 32.00 H new ATOM 0 HZ1 LYS A 71 -15.041 -2.585 -7.153 1.00 32.00 H new ATOM 0 HZ2 LYS A 71 -14.607 -1.503 -8.388 1.00 32.00 H new ATOM 0 HZ3 LYS A 71 -13.619 -2.841 -8.045 1.00 32.00 H new ATOM 345 N GLU A 72 -8.962 2.847 -7.125 1.00 32.00 N ATOM 346 CA GLU A 72 -9.244 4.241 -7.464 1.00 32.00 C ATOM 347 C GLU A 72 -10.747 4.469 -7.595 1.00 32.00 C ATOM 348 O GLU A 72 -11.358 4.120 -8.605 1.00 32.00 O ATOM 349 CB GLU A 72 -8.566 4.619 -8.783 1.00 32.00 C ATOM 350 CG GLU A 72 -7.048 4.520 -8.625 1.00 32.00 C ATOM 351 CD GLU A 72 -6.389 4.576 -9.998 1.00 32.00 C ATOM 352 OE1 GLU A 72 -6.395 5.641 -10.593 1.00 32.00 O ATOM 353 OE2 GLU A 72 -5.886 3.554 -10.435 1.00 32.00 O ATOM 0 H GLU A 72 -8.376 2.354 -7.799 1.00 32.00 H new ATOM 0 HA GLU A 72 -8.852 4.866 -6.661 1.00 32.00 H new ATOM 0 HB2 GLU A 72 -8.903 3.956 -9.580 1.00 32.00 H new ATOM 0 HB3 GLU A 72 -8.847 5.632 -9.071 1.00 32.00 H new ATOM 0 HG2 GLU A 72 -6.683 5.336 -8.001 1.00 32.00 H new ATOM 0 HG3 GLU A 72 -6.784 3.590 -8.121 1.00 32.00 H new ATOM 360 N GLY A 73 -11.335 5.059 -6.558 1.00 32.00 N ATOM 361 CA GLY A 73 -12.770 5.331 -6.562 1.00 32.00 C ATOM 362 C GLY A 73 -13.379 5.058 -5.189 1.00 32.00 C ATOM 363 O GLY A 73 -14.354 5.694 -4.791 1.00 32.00 O ATOM 0 H GLY A 73 -10.847 5.355 -5.713 1.00 32.00 H new ATOM 0 HA2 GLY A 73 -12.947 6.369 -6.843 1.00 32.00 H new ATOM 0 HA3 GLY A 73 -13.260 4.710 -7.312 1.00 32.00 H new ATOM 367 N ASP A 74 -12.793 4.103 -4.471 1.00 32.00 N ATOM 368 CA ASP A 74 -13.288 3.753 -3.142 1.00 32.00 C ATOM 369 C ASP A 74 -12.578 4.579 -2.074 1.00 32.00 C ATOM 370 O ASP A 74 -11.420 4.966 -2.235 1.00 32.00 O ATOM 371 CB ASP A 74 -13.056 2.267 -2.858 1.00 32.00 C ATOM 372 CG ASP A 74 -14.034 1.434 -3.678 1.00 32.00 C ATOM 373 OD1 ASP A 74 -13.963 1.499 -4.895 1.00 32.00 O ATOM 374 OD2 ASP A 74 -14.841 0.742 -3.079 1.00 32.00 O ATOM 0 H ASP A 74 -11.985 3.564 -4.782 1.00 32.00 H new ATOM 0 HA ASP A 74 -14.357 3.965 -3.115 1.00 32.00 H new ATOM 0 HB2 ASP A 74 -12.031 1.994 -3.108 1.00 32.00 H new ATOM 0 HB3 ASP A 74 -13.190 2.064 -1.796 1.00 32.00 H new ATOM 379 N THR A 75 -13.286 4.843 -0.980 1.00 32.00 N ATOM 380 CA THR A 75 -12.716 5.624 0.115 1.00 32.00 C ATOM 381 C THR A 75 -12.198 4.700 1.212 1.00 32.00 C ATOM 382 O THR A 75 -12.721 3.605 1.420 1.00 32.00 O ATOM 383 CB THR A 75 -13.769 6.563 0.709 1.00 32.00 C ATOM 384 OG1 THR A 75 -14.634 7.015 -0.324 1.00 32.00 O ATOM 385 CG2 THR A 75 -13.077 7.762 1.359 1.00 32.00 C ATOM 0 H THR A 75 -14.245 4.532 -0.828 1.00 32.00 H new ATOM 0 HA THR A 75 -11.891 6.213 -0.285 1.00 32.00 H new ATOM 0 HB THR A 75 -14.349 6.030 1.462 1.00 32.00 H new ATOM 0 HG1 THR A 75 -15.310 7.615 0.055 1.00 32.00 H new ATOM 0 HG21 THR A 75 -13.827 8.430 1.782 1.00 32.00 H new ATOM 0 HG22 THR A 75 -12.414 7.414 2.151 1.00 32.00 H new ATOM 0 HG23 THR A 75 -12.496 8.298 0.608 1.00 32.00 H new ATOM 393 N VAL A 76 -11.163 5.154 1.912 1.00 32.00 N ATOM 394 CA VAL A 76 -10.577 4.360 2.988 1.00 32.00 C ATOM 395 C VAL A 76 -10.580 5.146 4.295 1.00 32.00 C ATOM 396 O VAL A 76 -10.848 6.347 4.314 1.00 32.00 O ATOM 397 CB VAL A 76 -9.138 3.971 2.645 1.00 32.00 C ATOM 398 CG1 VAL A 76 -9.137 3.032 1.438 1.00 32.00 C ATOM 399 CG2 VAL A 76 -8.336 5.231 2.310 1.00 32.00 C ATOM 0 H VAL A 76 -10.716 6.058 1.757 1.00 32.00 H new ATOM 0 HA VAL A 76 -11.179 3.459 3.105 1.00 32.00 H new ATOM 0 HB VAL A 76 -8.685 3.466 3.498 1.00 32.00 H new ATOM 0 HG11 VAL A 76 -8.112 2.755 1.194 1.00 32.00 H new ATOM 0 HG12 VAL A 76 -9.709 2.135 1.675 1.00 32.00 H new ATOM 0 HG13 VAL A 76 -9.590 3.536 0.584 1.00 32.00 H new ATOM 0 HG21 VAL A 76 -7.310 4.955 2.065 1.00 32.00 H new ATOM 0 HG22 VAL A 76 -8.790 5.735 1.456 1.00 32.00 H new ATOM 0 HG23 VAL A 76 -8.336 5.902 3.169 1.00 32.00 H new ATOM 409 N LYS A 77 -10.276 4.452 5.388 1.00 32.00 N ATOM 410 CA LYS A 77 -10.243 5.090 6.700 1.00 32.00 C ATOM 411 C LYS A 77 -8.926 4.784 7.405 1.00 32.00 C ATOM 412 O LYS A 77 -8.327 3.727 7.201 1.00 32.00 O ATOM 413 CB LYS A 77 -11.401 4.593 7.568 1.00 32.00 C ATOM 414 CG LYS A 77 -12.636 5.460 7.315 1.00 32.00 C ATOM 415 CD LYS A 77 -13.670 5.209 8.414 1.00 32.00 C ATOM 416 CE LYS A 77 -14.775 6.264 8.326 1.00 32.00 C ATOM 417 NZ LYS A 77 -16.087 5.715 8.772 1.00 32.00 N ATOM 0 H LYS A 77 -10.051 3.457 5.392 1.00 32.00 H new ATOM 0 HA LYS A 77 -10.337 6.166 6.554 1.00 32.00 H new ATOM 0 HB2 LYS A 77 -11.622 3.551 7.337 1.00 32.00 H new ATOM 0 HB3 LYS A 77 -11.124 4.634 8.621 1.00 32.00 H new ATOM 0 HG2 LYS A 77 -12.356 6.513 7.298 1.00 32.00 H new ATOM 0 HG3 LYS A 77 -13.063 5.228 6.339 1.00 32.00 H new ATOM 0 HD2 LYS A 77 -14.096 4.211 8.306 1.00 32.00 H new ATOM 0 HD3 LYS A 77 -13.192 5.248 9.393 1.00 32.00 H new ATOM 0 HE2 LYS A 77 -14.510 7.123 8.942 1.00 32.00 H new ATOM 0 HE3 LYS A 77 -14.858 6.621 7.300 1.00 32.00 H new ATOM 0 HZ1 LYS A 77 -16.815 6.454 8.701 1.00 32.00 H new ATOM 0 HZ2 LYS A 77 -16.350 4.910 8.168 1.00 32.00 H new ATOM 0 HZ3 LYS A 77 -16.013 5.397 9.759 1.00 32.00 H new ATOM 431 N ALA A 78 -8.481 5.723 8.235 1.00 32.00 N ATOM 432 CA ALA A 78 -7.228 5.549 8.969 1.00 32.00 C ATOM 433 C ALA A 78 -7.298 4.318 9.869 1.00 32.00 C ATOM 434 O ALA A 78 -7.840 4.368 10.973 1.00 32.00 O ATOM 435 CB ALA A 78 -6.940 6.779 9.832 1.00 32.00 C ATOM 0 H ALA A 78 -8.962 6.604 8.416 1.00 32.00 H new ATOM 0 HA ALA A 78 -6.429 5.419 8.240 1.00 32.00 H new ATOM 0 HB1 ALA A 78 -6.004 6.634 10.372 1.00 32.00 H new ATOM 0 HB2 ALA A 78 -6.858 7.660 9.195 1.00 32.00 H new ATOM 0 HB3 ALA A 78 -7.752 6.921 10.545 1.00 32.00 H new ATOM 441 N GLY A 79 -6.739 3.213 9.384 1.00 32.00 N ATOM 442 CA GLY A 79 -6.739 1.971 10.152 1.00 32.00 C ATOM 443 C GLY A 79 -7.220 0.802 9.298 1.00 32.00 C ATOM 444 O GLY A 79 -6.731 -0.321 9.425 1.00 32.00 O ATOM 0 H GLY A 79 -6.285 3.151 8.473 1.00 32.00 H new ATOM 0 HA2 GLY A 79 -5.734 1.767 10.521 1.00 32.00 H new ATOM 0 HA3 GLY A 79 -7.383 2.078 11.024 1.00 32.00 H new ATOM 448 N GLN A 80 -8.186 1.078 8.427 1.00 32.00 N ATOM 449 CA GLN A 80 -8.731 0.042 7.554 1.00 32.00 C ATOM 450 C GLN A 80 -7.655 -0.481 6.607 1.00 32.00 C ATOM 451 O GLN A 80 -6.812 0.275 6.123 1.00 32.00 O ATOM 452 CB GLN A 80 -9.894 0.594 6.729 1.00 32.00 C ATOM 453 CG GLN A 80 -10.678 -0.564 6.109 1.00 32.00 C ATOM 454 CD GLN A 80 -11.858 -0.014 5.317 1.00 32.00 C ATOM 455 OE1 GLN A 80 -12.743 0.633 5.877 1.00 32.00 O ATOM 456 NE2 GLN A 80 -11.926 -0.234 4.032 1.00 32.00 N ATOM 0 H GLN A 80 -8.605 2.000 8.307 1.00 32.00 H new ATOM 0 HA GLN A 80 -9.087 -0.773 8.184 1.00 32.00 H new ATOM 0 HB2 GLN A 80 -10.549 1.193 7.361 1.00 32.00 H new ATOM 0 HB3 GLN A 80 -9.518 1.252 5.946 1.00 32.00 H new ATOM 0 HG2 GLN A 80 -10.029 -1.148 5.456 1.00 32.00 H new ATOM 0 HG3 GLN A 80 -11.033 -1.236 6.890 1.00 32.00 H new ATOM 0 HE21 GLN A 80 -11.193 -0.770 3.567 1.00 32.00 H new ATOM 0 HE22 GLN A 80 -12.712 0.130 3.493 1.00 32.00 H new ATOM 465 N THR A 81 -7.695 -1.785 6.346 1.00 32.00 N ATOM 466 CA THR A 81 -6.720 -2.404 5.453 1.00 32.00 C ATOM 467 C THR A 81 -6.910 -1.896 4.028 1.00 32.00 C ATOM 468 O THR A 81 -8.035 -1.749 3.550 1.00 32.00 O ATOM 469 CB THR A 81 -6.872 -3.927 5.464 1.00 32.00 C ATOM 470 OG1 THR A 81 -6.944 -4.384 6.808 1.00 32.00 O ATOM 471 CG2 THR A 81 -5.668 -4.567 4.770 1.00 32.00 C ATOM 0 H THR A 81 -8.385 -2.428 6.736 1.00 32.00 H new ATOM 0 HA THR A 81 -5.724 -2.138 5.806 1.00 32.00 H new ATOM 0 HB THR A 81 -7.784 -4.205 4.935 1.00 32.00 H new ATOM 0 HG1 THR A 81 -6.402 -3.802 7.381 1.00 32.00 H new ATOM 0 HG21 THR A 81 -5.777 -5.651 4.778 1.00 32.00 H new ATOM 0 HG22 THR A 81 -5.613 -4.216 3.740 1.00 32.00 H new ATOM 0 HG23 THR A 81 -4.755 -4.290 5.297 1.00 32.00 H new ATOM 479 N VAL A 82 -5.795 -1.622 3.356 1.00 32.00 N ATOM 480 CA VAL A 82 -5.847 -1.123 1.983 1.00 32.00 C ATOM 481 C VAL A 82 -5.257 -2.141 1.005 1.00 32.00 C ATOM 482 O VAL A 82 -5.671 -2.220 -0.151 1.00 32.00 O ATOM 483 CB VAL A 82 -5.086 0.206 1.862 1.00 32.00 C ATOM 484 CG1 VAL A 82 -5.685 1.222 2.837 1.00 32.00 C ATOM 485 CG2 VAL A 82 -3.599 0.000 2.194 1.00 32.00 C ATOM 0 H VAL A 82 -4.854 -1.735 3.733 1.00 32.00 H new ATOM 0 HA VAL A 82 -6.895 -0.961 1.730 1.00 32.00 H new ATOM 0 HB VAL A 82 -5.174 0.574 0.840 1.00 32.00 H new ATOM 0 HG11 VAL A 82 -5.147 2.167 2.754 1.00 32.00 H new ATOM 0 HG12 VAL A 82 -6.736 1.381 2.597 1.00 32.00 H new ATOM 0 HG13 VAL A 82 -5.598 0.844 3.856 1.00 32.00 H new ATOM 0 HG21 VAL A 82 -3.071 0.950 2.104 1.00 32.00 H new ATOM 0 HG22 VAL A 82 -3.502 -0.374 3.213 1.00 32.00 H new ATOM 0 HG23 VAL A 82 -3.168 -0.722 1.500 1.00 32.00 H new ATOM 495 N LEU A 83 -4.282 -2.913 1.478 1.00 32.00 N ATOM 496 CA LEU A 83 -3.643 -3.913 0.628 1.00 32.00 C ATOM 497 C LEU A 83 -2.898 -4.942 1.475 1.00 32.00 C ATOM 498 O LEU A 83 -2.409 -4.637 2.563 1.00 32.00 O ATOM 499 CB LEU A 83 -2.656 -3.238 -0.328 1.00 32.00 C ATOM 500 CG LEU A 83 -1.820 -4.184 -1.200 1.00 32.00 C ATOM 501 CD1 LEU A 83 -1.562 -3.538 -2.564 1.00 32.00 C ATOM 502 CD2 LEU A 83 -0.483 -4.463 -0.507 1.00 32.00 C ATOM 0 H LEU A 83 -3.921 -2.867 2.431 1.00 32.00 H new ATOM 0 HA LEU A 83 -4.420 -4.419 0.055 1.00 32.00 H new ATOM 0 HB2 LEU A 83 -3.213 -2.568 -0.983 1.00 32.00 H new ATOM 0 HB3 LEU A 83 -1.977 -2.619 0.258 1.00 32.00 H new ATOM 0 HG LEU A 83 -2.362 -5.119 -1.342 1.00 32.00 H new ATOM 0 HD11 LEU A 83 -0.968 -4.213 -3.180 1.00 32.00 H new ATOM 0 HD12 LEU A 83 -2.513 -3.338 -3.058 1.00 32.00 H new ATOM 0 HD13 LEU A 83 -1.021 -2.602 -2.427 1.00 32.00 H new ATOM 0 HD21 LEU A 83 0.113 -5.135 -1.124 1.00 32.00 H new ATOM 0 HD22 LEU A 83 0.056 -3.526 -0.365 1.00 32.00 H new ATOM 0 HD23 LEU A 83 -0.665 -4.927 0.462 1.00 32.00 H new ATOM 514 N VAL A 84 -2.814 -6.165 0.957 1.00 32.00 N ATOM 515 CA VAL A 84 -2.123 -7.239 1.665 1.00 32.00 C ATOM 516 C VAL A 84 -0.732 -7.448 1.074 1.00 32.00 C ATOM 517 O VAL A 84 -0.551 -7.431 -0.144 1.00 32.00 O ATOM 518 CB VAL A 84 -2.912 -8.548 1.562 1.00 32.00 C ATOM 519 CG1 VAL A 84 -2.275 -9.604 2.467 1.00 32.00 C ATOM 520 CG2 VAL A 84 -4.358 -8.308 2.003 1.00 32.00 C ATOM 0 H VAL A 84 -3.212 -6.435 0.058 1.00 32.00 H new ATOM 0 HA VAL A 84 -2.038 -6.953 2.713 1.00 32.00 H new ATOM 0 HB VAL A 84 -2.898 -8.898 0.530 1.00 32.00 H new ATOM 0 HG11 VAL A 84 -2.838 -10.534 2.392 1.00 32.00 H new ATOM 0 HG12 VAL A 84 -1.245 -9.777 2.155 1.00 32.00 H new ATOM 0 HG13 VAL A 84 -2.288 -9.254 3.499 1.00 32.00 H new ATOM 0 HG21 VAL A 84 -4.920 -9.239 1.930 1.00 32.00 H new ATOM 0 HG22 VAL A 84 -4.370 -7.957 3.035 1.00 32.00 H new ATOM 0 HG23 VAL A 84 -4.815 -7.557 1.359 1.00 32.00 H new ATOM 530 N LEU A 85 0.251 -7.643 1.949 1.00 32.00 N ATOM 531 CA LEU A 85 1.625 -7.852 1.501 1.00 32.00 C ATOM 532 C LEU A 85 2.095 -9.259 1.854 1.00 32.00 C ATOM 533 O LEU A 85 1.510 -9.932 2.703 1.00 32.00 O ATOM 534 CB LEU A 85 2.561 -6.833 2.155 1.00 32.00 C ATOM 535 CG LEU A 85 2.665 -5.484 1.439 1.00 32.00 C ATOM 536 CD1 LEU A 85 3.652 -4.584 2.185 1.00 32.00 C ATOM 537 CD2 LEU A 85 3.161 -5.705 0.008 1.00 32.00 C ATOM 0 H LEU A 85 0.125 -7.661 2.961 1.00 32.00 H new ATOM 0 HA LEU A 85 1.649 -7.725 0.419 1.00 32.00 H new ATOM 0 HB2 LEU A 85 2.223 -6.658 3.177 1.00 32.00 H new ATOM 0 HB3 LEU A 85 3.558 -7.269 2.219 1.00 32.00 H new ATOM 0 HG LEU A 85 1.685 -5.008 1.417 1.00 32.00 H new ATOM 0 HD11 LEU A 85 3.726 -3.624 1.675 1.00 32.00 H new ATOM 0 HD12 LEU A 85 3.302 -4.427 3.205 1.00 32.00 H new ATOM 0 HD13 LEU A 85 4.633 -5.059 2.207 1.00 32.00 H new ATOM 0 HD21 LEU A 85 3.236 -4.745 -0.503 1.00 32.00 H new ATOM 0 HD22 LEU A 85 4.141 -6.181 0.032 1.00 32.00 H new ATOM 0 HD23 LEU A 85 2.460 -6.347 -0.525 1.00 32.00 H new ATOM 549 N GLU A 86 3.162 -9.696 1.191 1.00 32.00 N ATOM 550 CA GLU A 86 3.710 -11.026 1.437 1.00 32.00 C ATOM 551 C GLU A 86 5.233 -10.969 1.514 1.00 32.00 C ATOM 552 O GLU A 86 5.909 -10.693 0.524 1.00 32.00 O ATOM 553 CB GLU A 86 3.304 -11.989 0.320 1.00 32.00 C ATOM 554 CG GLU A 86 1.969 -12.648 0.673 1.00 32.00 C ATOM 555 CD GLU A 86 1.875 -14.006 -0.013 1.00 32.00 C ATOM 556 OE1 GLU A 86 2.556 -14.918 0.426 1.00 32.00 O ATOM 557 OE2 GLU A 86 1.123 -14.115 -0.968 1.00 32.00 O ATOM 0 H GLU A 86 3.661 -9.154 0.485 1.00 32.00 H new ATOM 0 HA GLU A 86 3.310 -11.383 2.386 1.00 32.00 H new ATOM 0 HB2 GLU A 86 3.218 -11.451 -0.624 1.00 32.00 H new ATOM 0 HB3 GLU A 86 4.073 -12.750 0.184 1.00 32.00 H new ATOM 0 HG2 GLU A 86 1.885 -12.768 1.753 1.00 32.00 H new ATOM 0 HG3 GLU A 86 1.142 -12.011 0.358 1.00 32.00 H new ATOM 564 N ALA A 87 5.763 -11.233 2.705 1.00 32.00 N ATOM 565 CA ALA A 87 7.209 -11.209 2.906 1.00 32.00 C ATOM 566 C ALA A 87 7.612 -12.202 3.992 1.00 32.00 C ATOM 567 O ALA A 87 6.946 -12.324 5.020 1.00 32.00 O ATOM 568 CB ALA A 87 7.671 -9.810 3.315 1.00 32.00 C ATOM 0 H ALA A 87 5.220 -11.464 3.537 1.00 32.00 H new ATOM 0 HA ALA A 87 7.683 -11.486 1.965 1.00 32.00 H new ATOM 0 HB1 ALA A 87 8.751 -9.812 3.460 1.00 32.00 H new ATOM 0 HB2 ALA A 87 7.411 -9.098 2.532 1.00 32.00 H new ATOM 0 HB3 ALA A 87 7.180 -9.522 4.245 1.00 32.00 H new ATOM 574 N MET A 88 8.711 -12.912 3.750 1.00 32.00 N ATOM 575 CA MET A 88 9.202 -13.897 4.712 1.00 32.00 C ATOM 576 C MET A 88 8.159 -14.987 4.942 1.00 32.00 C ATOM 577 O MET A 88 8.052 -15.544 6.035 1.00 32.00 O ATOM 578 CB MET A 88 9.527 -13.228 6.049 1.00 32.00 C ATOM 579 CG MET A 88 10.600 -12.158 5.837 1.00 32.00 C ATOM 580 SD MET A 88 11.399 -11.784 7.418 1.00 32.00 S ATOM 581 CE MET A 88 12.520 -10.501 6.806 1.00 32.00 C ATOM 0 H MET A 88 9.275 -12.826 2.904 1.00 32.00 H new ATOM 0 HA MET A 88 10.108 -14.342 4.301 1.00 32.00 H new ATOM 0 HB2 MET A 88 8.628 -12.778 6.471 1.00 32.00 H new ATOM 0 HB3 MET A 88 9.877 -13.972 6.765 1.00 32.00 H new ATOM 0 HG2 MET A 88 11.340 -12.507 5.117 1.00 32.00 H new ATOM 0 HG3 MET A 88 10.152 -11.256 5.421 1.00 32.00 H new ATOM 0 HE1 MET A 88 13.122 -10.121 7.631 1.00 32.00 H new ATOM 0 HE2 MET A 88 13.174 -10.923 6.043 1.00 32.00 H new ATOM 0 HE3 MET A 88 11.939 -9.686 6.375 1.00 32.00 H new ATOM 591 N LYS A 89 7.391 -15.286 3.896 1.00 32.00 N ATOM 592 CA LYS A 89 6.355 -16.314 3.988 1.00 32.00 C ATOM 593 C LYS A 89 5.326 -15.942 5.053 1.00 32.00 C ATOM 594 O LYS A 89 4.765 -16.808 5.725 1.00 32.00 O ATOM 595 CB LYS A 89 6.972 -17.669 4.341 1.00 32.00 C ATOM 596 CG LYS A 89 7.944 -18.091 3.238 1.00 32.00 C ATOM 597 CD LYS A 89 8.357 -19.549 3.450 1.00 32.00 C ATOM 598 CE LYS A 89 9.148 -20.038 2.236 1.00 32.00 C ATOM 599 NZ LYS A 89 9.855 -21.317 2.526 1.00 32.00 N ATOM 0 H LYS A 89 7.465 -14.836 2.983 1.00 32.00 H new ATOM 0 HA LYS A 89 5.864 -16.382 3.017 1.00 32.00 H new ATOM 0 HB2 LYS A 89 7.494 -17.605 5.296 1.00 32.00 H new ATOM 0 HB3 LYS A 89 6.189 -18.418 4.456 1.00 32.00 H new ATOM 0 HG2 LYS A 89 7.475 -17.973 2.261 1.00 32.00 H new ATOM 0 HG3 LYS A 89 8.824 -17.448 3.249 1.00 32.00 H new ATOM 0 HD2 LYS A 89 8.963 -19.639 4.352 1.00 32.00 H new ATOM 0 HD3 LYS A 89 7.474 -20.171 3.596 1.00 32.00 H new ATOM 0 HE2 LYS A 89 8.472 -20.177 1.392 1.00 32.00 H new ATOM 0 HE3 LYS A 89 9.873 -19.279 1.942 1.00 32.00 H new ATOM 0 HZ1 LYS A 89 10.382 -21.621 1.683 1.00 32.00 H new ATOM 0 HZ2 LYS A 89 10.517 -21.176 3.316 1.00 32.00 H new ATOM 0 HZ3 LYS A 89 9.160 -22.047 2.782 1.00 32.00 H new ATOM 613 N MET A 90 5.084 -14.642 5.197 1.00 32.00 N ATOM 614 CA MET A 90 4.120 -14.162 6.183 1.00 32.00 C ATOM 615 C MET A 90 3.270 -13.040 5.595 1.00 32.00 C ATOM 616 O MET A 90 3.788 -12.012 5.159 1.00 32.00 O ATOM 617 CB MET A 90 4.841 -13.640 7.427 1.00 32.00 C ATOM 618 CG MET A 90 3.950 -13.836 8.655 1.00 32.00 C ATOM 619 SD MET A 90 4.665 -12.958 10.067 1.00 32.00 S ATOM 620 CE MET A 90 4.845 -14.391 11.157 1.00 32.00 C ATOM 0 H MET A 90 5.536 -13.909 4.650 1.00 32.00 H new ATOM 0 HA MET A 90 3.478 -14.998 6.460 1.00 32.00 H new ATOM 0 HB2 MET A 90 5.785 -14.168 7.562 1.00 32.00 H new ATOM 0 HB3 MET A 90 5.082 -12.584 7.304 1.00 32.00 H new ATOM 0 HG2 MET A 90 2.946 -13.463 8.452 1.00 32.00 H new ATOM 0 HG3 MET A 90 3.856 -14.898 8.883 1.00 32.00 H new ATOM 0 HE1 MET A 90 5.277 -14.074 12.106 1.00 32.00 H new ATOM 0 HE2 MET A 90 3.867 -14.838 11.335 1.00 32.00 H new ATOM 0 HE3 MET A 90 5.499 -15.125 10.687 1.00 32.00 H new ATOM 630 N GLU A 91 1.957 -13.250 5.589 1.00 32.00 N ATOM 631 CA GLU A 91 1.036 -12.251 5.053 1.00 32.00 C ATOM 632 C GLU A 91 0.933 -11.060 6.001 1.00 32.00 C ATOM 633 O GLU A 91 0.642 -11.216 7.187 1.00 32.00 O ATOM 634 CB GLU A 91 -0.356 -12.854 4.859 1.00 32.00 C ATOM 635 CG GLU A 91 -0.381 -13.678 3.570 1.00 32.00 C ATOM 636 CD GLU A 91 -1.703 -14.431 3.472 1.00 32.00 C ATOM 637 OE1 GLU A 91 -2.010 -15.169 4.394 1.00 32.00 O ATOM 638 OE2 GLU A 91 -2.388 -14.259 2.478 1.00 32.00 O ATOM 0 H GLU A 91 1.509 -14.094 5.945 1.00 32.00 H new ATOM 0 HA GLU A 91 1.424 -11.918 4.090 1.00 32.00 H new ATOM 0 HB2 GLU A 91 -0.613 -13.484 5.711 1.00 32.00 H new ATOM 0 HB3 GLU A 91 -1.103 -12.062 4.811 1.00 32.00 H new ATOM 0 HG2 GLU A 91 -0.258 -13.025 2.706 1.00 32.00 H new ATOM 0 HG3 GLU A 91 0.452 -14.381 3.559 1.00 32.00 H new ATOM 645 N THR A 92 1.176 -9.868 5.464 1.00 32.00 N ATOM 646 CA THR A 92 1.109 -8.652 6.269 1.00 32.00 C ATOM 647 C THR A 92 0.050 -7.705 5.715 1.00 32.00 C ATOM 648 O THR A 92 0.050 -7.375 4.529 1.00 32.00 O ATOM 649 CB THR A 92 2.463 -7.938 6.275 1.00 32.00 C ATOM 650 OG1 THR A 92 3.504 -8.902 6.363 1.00 32.00 O ATOM 651 CG2 THR A 92 2.538 -6.992 7.475 1.00 32.00 C ATOM 0 H THR A 92 1.419 -9.718 4.485 1.00 32.00 H new ATOM 0 HA THR A 92 0.845 -8.937 7.288 1.00 32.00 H new ATOM 0 HB THR A 92 2.576 -7.364 5.356 1.00 32.00 H new ATOM 0 HG1 THR A 92 4.372 -8.447 6.365 1.00 32.00 H new ATOM 0 HG21 THR A 92 3.502 -6.484 7.478 1.00 32.00 H new ATOM 0 HG22 THR A 92 1.739 -6.253 7.407 1.00 32.00 H new ATOM 0 HG23 THR A 92 2.426 -7.563 8.396 1.00 32.00 H new ATOM 659 N GLU A 93 -0.854 -7.272 6.589 1.00 32.00 N ATOM 660 CA GLU A 93 -1.920 -6.361 6.179 1.00 32.00 C ATOM 661 C GLU A 93 -1.436 -4.916 6.231 1.00 32.00 C ATOM 662 O GLU A 93 -0.704 -4.523 7.139 1.00 32.00 O ATOM 663 CB GLU A 93 -3.135 -6.511 7.097 1.00 32.00 C ATOM 664 CG GLU A 93 -3.661 -7.946 7.019 1.00 32.00 C ATOM 665 CD GLU A 93 -4.731 -8.154 8.086 1.00 32.00 C ATOM 666 OE1 GLU A 93 -4.566 -7.626 9.173 1.00 32.00 O ATOM 667 OE2 GLU A 93 -5.699 -8.839 7.800 1.00 32.00 O ATOM 0 H GLU A 93 -0.871 -7.533 7.575 1.00 32.00 H new ATOM 0 HA GLU A 93 -2.203 -6.614 5.157 1.00 32.00 H new ATOM 0 HB2 GLU A 93 -2.860 -6.269 8.124 1.00 32.00 H new ATOM 0 HB3 GLU A 93 -3.916 -5.810 6.802 1.00 32.00 H new ATOM 0 HG2 GLU A 93 -4.076 -8.139 6.030 1.00 32.00 H new ATOM 0 HG3 GLU A 93 -2.844 -8.653 7.165 1.00 32.00 H new ATOM 674 N ILE A 94 -1.855 -4.129 5.245 1.00 32.00 N ATOM 675 CA ILE A 94 -1.462 -2.724 5.185 1.00 32.00 C ATOM 676 C ILE A 94 -2.653 -1.827 5.508 1.00 32.00 C ATOM 677 O ILE A 94 -3.662 -1.834 4.805 1.00 32.00 O ATOM 678 CB ILE A 94 -0.933 -2.372 3.789 1.00 32.00 C ATOM 679 CG1 ILE A 94 0.159 -3.375 3.378 1.00 32.00 C ATOM 680 CG2 ILE A 94 -0.354 -0.954 3.800 1.00 32.00 C ATOM 681 CD1 ILE A 94 1.325 -3.341 4.375 1.00 32.00 C ATOM 0 H ILE A 94 -2.461 -4.435 4.483 1.00 32.00 H new ATOM 0 HA ILE A 94 -0.674 -2.562 5.920 1.00 32.00 H new ATOM 0 HB ILE A 94 -1.752 -2.421 3.072 1.00 32.00 H new ATOM 0 HG12 ILE A 94 -0.260 -4.380 3.334 1.00 32.00 H new ATOM 0 HG13 ILE A 94 0.521 -3.137 2.378 1.00 32.00 H new ATOM 0 HG21 ILE A 94 0.021 -0.706 2.807 1.00 32.00 H new ATOM 0 HG22 ILE A 94 -1.133 -0.245 4.081 1.00 32.00 H new ATOM 0 HG23 ILE A 94 0.462 -0.900 4.520 1.00 32.00 H new ATOM 0 HD11 ILE A 94 2.087 -4.057 4.068 1.00 32.00 H new ATOM 0 HD12 ILE A 94 1.755 -2.340 4.398 1.00 32.00 H new ATOM 0 HD13 ILE A 94 0.962 -3.602 5.369 1.00 32.00 H new ATOM 693 N ASN A 95 -2.523 -1.055 6.583 1.00 32.00 N ATOM 694 CA ASN A 95 -3.595 -0.154 6.995 1.00 32.00 C ATOM 695 C ASN A 95 -3.262 1.282 6.605 1.00 32.00 C ATOM 696 O ASN A 95 -2.119 1.724 6.721 1.00 32.00 O ATOM 697 CB ASN A 95 -3.800 -0.224 8.510 1.00 32.00 C ATOM 698 CG ASN A 95 -4.262 -1.625 8.896 1.00 32.00 C ATOM 699 OD1 ASN A 95 -5.085 -2.227 8.206 1.00 32.00 O ATOM 700 ND2 ASN A 95 -3.776 -2.186 9.970 1.00 32.00 N ATOM 0 H ASN A 95 -1.696 -1.034 7.179 1.00 32.00 H new ATOM 0 HA ASN A 95 -4.510 -0.465 6.490 1.00 32.00 H new ATOM 0 HB2 ASN A 95 -2.871 0.019 9.025 1.00 32.00 H new ATOM 0 HB3 ASN A 95 -4.540 0.513 8.822 1.00 32.00 H new ATOM 0 HD21 ASN A 95 -4.078 -3.123 10.237 1.00 32.00 H new ATOM 0 HD22 ASN A 95 -3.094 -1.687 10.542 1.00 32.00 H new ATOM 707 N ALA A 96 -4.276 2.006 6.137 1.00 32.00 N ATOM 708 CA ALA A 96 -4.082 3.395 5.729 1.00 32.00 C ATOM 709 C ALA A 96 -3.616 4.242 6.917 1.00 32.00 C ATOM 710 O ALA A 96 -4.038 4.014 8.051 1.00 32.00 O ATOM 711 CB ALA A 96 -5.387 3.979 5.183 1.00 32.00 C ATOM 0 H ALA A 96 -5.229 1.659 6.032 1.00 32.00 H new ATOM 0 HA ALA A 96 -3.321 3.413 4.949 1.00 32.00 H new ATOM 0 HB1 ALA A 96 -5.225 5.014 4.884 1.00 32.00 H new ATOM 0 HB2 ALA A 96 -5.712 3.398 4.320 1.00 32.00 H new ATOM 0 HB3 ALA A 96 -6.154 3.941 5.956 1.00 32.00 H new ATOM 717 N PRO A 97 -2.741 5.228 6.675 1.00 32.00 N ATOM 718 CA PRO A 97 -2.229 6.100 7.742 1.00 32.00 C ATOM 719 C PRO A 97 -3.280 7.095 8.230 1.00 32.00 C ATOM 720 O PRO A 97 -3.359 7.404 9.419 1.00 32.00 O ATOM 721 CB PRO A 97 -1.062 6.837 7.088 1.00 32.00 C ATOM 722 CG PRO A 97 -1.362 6.824 5.629 1.00 32.00 C ATOM 723 CD PRO A 97 -2.172 5.588 5.361 1.00 32.00 C ATOM 0 HA PRO A 97 -1.941 5.528 8.624 1.00 32.00 H new ATOM 0 HB2 PRO A 97 -0.979 7.857 7.464 1.00 32.00 H new ATOM 0 HB3 PRO A 97 -0.115 6.341 7.300 1.00 32.00 H new ATOM 0 HG2 PRO A 97 -1.915 7.718 5.341 1.00 32.00 H new ATOM 0 HG3 PRO A 97 -0.441 6.816 5.046 1.00 32.00 H new ATOM 0 HD2 PRO A 97 -2.956 5.778 4.628 1.00 32.00 H new ATOM 0 HD3 PRO A 97 -1.551 4.785 4.964 1.00 32.00 H new ATOM 731 N THR A 98 -4.086 7.590 7.295 1.00 32.00 N ATOM 732 CA THR A 98 -5.133 8.549 7.635 1.00 32.00 C ATOM 733 C THR A 98 -6.342 8.357 6.727 1.00 32.00 C ATOM 734 O THR A 98 -6.259 7.702 5.688 1.00 32.00 O ATOM 735 CB THR A 98 -4.617 9.982 7.484 1.00 32.00 C ATOM 736 OG1 THR A 98 -3.873 10.091 6.279 1.00 32.00 O ATOM 737 CG2 THR A 98 -3.721 10.332 8.673 1.00 32.00 C ATOM 0 H THR A 98 -4.036 7.346 6.306 1.00 32.00 H new ATOM 0 HA THR A 98 -5.425 8.378 8.671 1.00 32.00 H new ATOM 0 HB THR A 98 -5.461 10.671 7.454 1.00 32.00 H new ATOM 0 HG1 THR A 98 -3.543 11.009 6.180 1.00 32.00 H new ATOM 0 HG21 THR A 98 -3.354 11.353 8.564 1.00 32.00 H new ATOM 0 HG22 THR A 98 -4.293 10.249 9.597 1.00 32.00 H new ATOM 0 HG23 THR A 98 -2.876 9.644 8.707 1.00 32.00 H new ATOM 745 N ASP A 99 -7.469 8.938 7.130 1.00 32.00 N ATOM 746 CA ASP A 99 -8.695 8.826 6.344 1.00 32.00 C ATOM 747 C ASP A 99 -8.548 9.567 5.020 1.00 32.00 C ATOM 748 O ASP A 99 -7.933 10.632 4.952 1.00 32.00 O ATOM 749 CB ASP A 99 -9.883 9.409 7.113 1.00 32.00 C ATOM 750 CG ASP A 99 -9.551 10.827 7.566 1.00 32.00 C ATOM 751 OD1 ASP A 99 -8.985 10.968 8.638 1.00 32.00 O ATOM 752 OD2 ASP A 99 -9.869 11.751 6.835 1.00 32.00 O ATOM 0 H ASP A 99 -7.559 9.485 7.986 1.00 32.00 H new ATOM 0 HA ASP A 99 -8.874 7.768 6.151 1.00 32.00 H new ATOM 0 HB2 ASP A 99 -10.771 9.417 6.480 1.00 32.00 H new ATOM 0 HB3 ASP A 99 -10.112 8.785 7.976 1.00 32.00 H new ATOM 757 N GLY A 100 -9.121 8.991 3.968 1.00 32.00 N ATOM 758 CA GLY A 100 -9.050 9.604 2.644 1.00 32.00 C ATOM 759 C GLY A 100 -9.622 8.671 1.582 1.00 32.00 C ATOM 760 O GLY A 100 -10.371 7.743 1.888 1.00 32.00 O ATOM 0 H GLY A 100 -9.635 8.110 4.004 1.00 32.00 H new ATOM 0 HA2 GLY A 100 -9.602 10.544 2.644 1.00 32.00 H new ATOM 0 HA3 GLY A 100 -8.014 9.843 2.404 1.00 32.00 H new ATOM 764 N LYS A 101 -9.261 8.930 0.328 1.00 32.00 N ATOM 765 CA LYS A 101 -9.743 8.109 -0.779 1.00 32.00 C ATOM 766 C LYS A 101 -8.599 7.772 -1.731 1.00 32.00 C ATOM 767 O LYS A 101 -7.682 8.570 -1.930 1.00 32.00 O ATOM 768 CB LYS A 101 -10.836 8.847 -1.555 1.00 32.00 C ATOM 769 CG LYS A 101 -11.522 7.879 -2.521 1.00 32.00 C ATOM 770 CD LYS A 101 -12.344 8.669 -3.541 1.00 32.00 C ATOM 771 CE LYS A 101 -13.513 9.356 -2.833 1.00 32.00 C ATOM 772 NZ LYS A 101 -14.225 10.296 -3.745 1.00 32.00 N ATOM 0 H LYS A 101 -8.643 9.694 0.055 1.00 32.00 H new ATOM 0 HA LYS A 101 -10.152 7.188 -0.362 1.00 32.00 H new ATOM 0 HB2 LYS A 101 -11.567 9.266 -0.864 1.00 32.00 H new ATOM 0 HB3 LYS A 101 -10.404 9.682 -2.107 1.00 32.00 H new ATOM 0 HG2 LYS A 101 -10.776 7.270 -3.033 1.00 32.00 H new ATOM 0 HG3 LYS A 101 -12.168 7.195 -1.970 1.00 32.00 H new ATOM 0 HD2 LYS A 101 -11.716 9.412 -4.033 1.00 32.00 H new ATOM 0 HD3 LYS A 101 -12.717 8.002 -4.318 1.00 32.00 H new ATOM 0 HE2 LYS A 101 -14.211 8.604 -2.466 1.00 32.00 H new ATOM 0 HE3 LYS A 101 -13.145 9.900 -1.963 1.00 32.00 H new ATOM 0 HZ1 LYS A 101 -15.012 10.745 -3.235 1.00 32.00 H new ATOM 0 HZ2 LYS A 101 -13.563 11.028 -4.075 1.00 32.00 H new ATOM 0 HZ3 LYS A 101 -14.597 9.772 -4.562 1.00 32.00 H new ATOM 786 N VAL A 102 -8.664 6.580 -2.318 1.00 32.00 N ATOM 787 CA VAL A 102 -7.631 6.142 -3.252 1.00 32.00 C ATOM 788 C VAL A 102 -7.785 6.866 -4.586 1.00 32.00 C ATOM 789 O VAL A 102 -8.753 6.654 -5.316 1.00 32.00 O ATOM 790 CB VAL A 102 -7.728 4.631 -3.486 1.00 32.00 C ATOM 791 CG1 VAL A 102 -6.534 4.160 -4.318 1.00 32.00 C ATOM 792 CG2 VAL A 102 -7.722 3.905 -2.137 1.00 32.00 C ATOM 0 H VAL A 102 -9.414 5.906 -2.166 1.00 32.00 H new ATOM 0 HA VAL A 102 -6.659 6.378 -2.820 1.00 32.00 H new ATOM 0 HB VAL A 102 -8.652 4.408 -4.019 1.00 32.00 H new ATOM 0 HG11 VAL A 102 -6.606 3.085 -4.482 1.00 32.00 H new ATOM 0 HG12 VAL A 102 -6.534 4.675 -5.279 1.00 32.00 H new ATOM 0 HG13 VAL A 102 -5.609 4.384 -3.787 1.00 32.00 H new ATOM 0 HG21 VAL A 102 -7.791 2.830 -2.302 1.00 32.00 H new ATOM 0 HG22 VAL A 102 -6.798 4.132 -1.606 1.00 32.00 H new ATOM 0 HG23 VAL A 102 -8.573 4.236 -1.542 1.00 32.00 H new ATOM 802 N GLU A 103 -6.819 7.728 -4.894 1.00 32.00 N ATOM 803 CA GLU A 103 -6.858 8.484 -6.143 1.00 32.00 C ATOM 804 C GLU A 103 -6.057 7.773 -7.231 1.00 32.00 C ATOM 805 O GLU A 103 -6.358 7.892 -8.419 1.00 32.00 O ATOM 806 CB GLU A 103 -6.286 9.890 -5.939 1.00 32.00 C ATOM 807 CG GLU A 103 -4.881 9.794 -5.340 1.00 32.00 C ATOM 808 CD GLU A 103 -4.188 11.147 -5.450 1.00 32.00 C ATOM 809 OE1 GLU A 103 -4.016 11.614 -6.564 1.00 32.00 O ATOM 810 OE2 GLU A 103 -3.839 11.698 -4.418 1.00 32.00 O ATOM 0 H GLU A 103 -6.009 7.919 -4.304 1.00 32.00 H new ATOM 0 HA GLU A 103 -7.900 8.558 -6.454 1.00 32.00 H new ATOM 0 HB2 GLU A 103 -6.250 10.420 -6.891 1.00 32.00 H new ATOM 0 HB3 GLU A 103 -6.935 10.465 -5.278 1.00 32.00 H new ATOM 0 HG2 GLU A 103 -4.940 9.487 -4.296 1.00 32.00 H new ATOM 0 HG3 GLU A 103 -4.302 9.033 -5.864 1.00 32.00 H new ATOM 817 N LYS A 104 -5.032 7.031 -6.816 1.00 32.00 N ATOM 818 CA LYS A 104 -4.197 6.306 -7.769 1.00 32.00 C ATOM 819 C LYS A 104 -3.402 5.214 -7.061 1.00 32.00 C ATOM 820 O LYS A 104 -2.712 5.469 -6.073 1.00 32.00 O ATOM 821 CB LYS A 104 -3.222 7.261 -8.462 1.00 32.00 C ATOM 822 CG LYS A 104 -2.740 6.636 -9.773 1.00 32.00 C ATOM 823 CD LYS A 104 -1.973 7.681 -10.586 1.00 32.00 C ATOM 824 CE LYS A 104 -0.955 6.981 -11.487 1.00 32.00 C ATOM 825 NZ LYS A 104 0.087 7.930 -11.971 1.00 32.00 N ATOM 0 H LYS A 104 -4.763 6.917 -5.839 1.00 32.00 H new ATOM 0 HA LYS A 104 -4.853 5.853 -8.512 1.00 32.00 H new ATOM 0 HB2 LYS A 104 -3.710 8.215 -8.660 1.00 32.00 H new ATOM 0 HB3 LYS A 104 -2.372 7.466 -7.811 1.00 32.00 H new ATOM 0 HG2 LYS A 104 -2.099 5.779 -9.565 1.00 32.00 H new ATOM 0 HG3 LYS A 104 -3.590 6.266 -10.346 1.00 32.00 H new ATOM 0 HD2 LYS A 104 -2.666 8.268 -11.190 1.00 32.00 H new ATOM 0 HD3 LYS A 104 -1.465 8.376 -9.917 1.00 32.00 H new ATOM 0 HE2 LYS A 104 -0.481 6.167 -10.939 1.00 32.00 H new ATOM 0 HE3 LYS A 104 -1.467 6.535 -12.340 1.00 32.00 H new ATOM 0 HZ1 LYS A 104 0.762 7.424 -12.579 1.00 32.00 H new ATOM 0 HZ2 LYS A 104 -0.364 8.693 -12.515 1.00 32.00 H new ATOM 0 HZ3 LYS A 104 0.592 8.336 -11.157 1.00 32.00 H new ATOM 839 N VAL A 105 -3.506 3.993 -7.578 1.00 32.00 N ATOM 840 CA VAL A 105 -2.791 2.863 -6.989 1.00 32.00 C ATOM 841 C VAL A 105 -1.563 2.519 -7.827 1.00 32.00 C ATOM 842 O VAL A 105 -1.677 2.023 -8.948 1.00 32.00 O ATOM 843 CB VAL A 105 -3.699 1.633 -6.906 1.00 32.00 C ATOM 844 CG1 VAL A 105 -2.996 0.529 -6.112 1.00 32.00 C ATOM 845 CG2 VAL A 105 -5.006 2.009 -6.203 1.00 32.00 C ATOM 0 H VAL A 105 -4.072 3.761 -8.394 1.00 32.00 H new ATOM 0 HA VAL A 105 -2.480 3.149 -5.984 1.00 32.00 H new ATOM 0 HB VAL A 105 -3.915 1.276 -7.913 1.00 32.00 H new ATOM 0 HG11 VAL A 105 -3.643 -0.346 -6.054 1.00 32.00 H new ATOM 0 HG12 VAL A 105 -2.065 0.259 -6.610 1.00 32.00 H new ATOM 0 HG13 VAL A 105 -2.778 0.887 -5.106 1.00 32.00 H new ATOM 0 HG21 VAL A 105 -5.652 1.133 -6.144 1.00 32.00 H new ATOM 0 HG22 VAL A 105 -4.788 2.368 -5.197 1.00 32.00 H new ATOM 0 HG23 VAL A 105 -5.510 2.794 -6.767 1.00 32.00 H new ATOM 855 N LEU A 106 -0.388 2.787 -7.267 1.00 32.00 N ATOM 856 CA LEU A 106 0.861 2.502 -7.967 1.00 32.00 C ATOM 857 C LEU A 106 1.215 1.023 -7.846 1.00 32.00 C ATOM 858 O LEU A 106 1.816 0.438 -8.748 1.00 32.00 O ATOM 859 CB LEU A 106 2.003 3.336 -7.384 1.00 32.00 C ATOM 860 CG LEU A 106 1.674 4.808 -7.125 1.00 32.00 C ATOM 861 CD1 LEU A 106 2.575 5.345 -6.012 1.00 32.00 C ATOM 862 CD2 LEU A 106 1.911 5.614 -8.404 1.00 32.00 C ATOM 0 H LEU A 106 -0.273 3.197 -6.340 1.00 32.00 H new ATOM 0 HA LEU A 106 0.723 2.758 -9.018 1.00 32.00 H new ATOM 0 HB2 LEU A 106 2.320 2.881 -6.445 1.00 32.00 H new ATOM 0 HB3 LEU A 106 2.852 3.285 -8.066 1.00 32.00 H new ATOM 0 HG LEU A 106 0.631 4.899 -6.823 1.00 32.00 H new ATOM 0 HD11 LEU A 106 2.340 6.393 -5.828 1.00 32.00 H new ATOM 0 HD12 LEU A 106 2.409 4.771 -5.101 1.00 32.00 H new ATOM 0 HD13 LEU A 106 3.619 5.254 -6.313 1.00 32.00 H new ATOM 0 HD21 LEU A 106 1.677 6.663 -8.222 1.00 32.00 H new ATOM 0 HD22 LEU A 106 2.955 5.522 -8.704 1.00 32.00 H new ATOM 0 HD23 LEU A 106 1.270 5.232 -9.199 1.00 32.00 H new ATOM 874 N VAL A 107 0.835 0.425 -6.720 1.00 32.00 N ATOM 875 CA VAL A 107 1.118 -0.988 -6.488 1.00 32.00 C ATOM 876 C VAL A 107 0.082 -1.864 -7.187 1.00 32.00 C ATOM 877 O VAL A 107 -1.105 -1.539 -7.225 1.00 32.00 O ATOM 878 CB VAL A 107 1.111 -1.299 -4.988 1.00 32.00 C ATOM 879 CG1 VAL A 107 2.225 -0.509 -4.300 1.00 32.00 C ATOM 880 CG2 VAL A 107 -0.239 -0.902 -4.381 1.00 32.00 C ATOM 0 H VAL A 107 0.336 0.891 -5.962 1.00 32.00 H new ATOM 0 HA VAL A 107 2.106 -1.203 -6.896 1.00 32.00 H new ATOM 0 HB VAL A 107 1.272 -2.367 -4.843 1.00 32.00 H new ATOM 0 HG11 VAL A 107 2.221 -0.729 -3.232 1.00 32.00 H new ATOM 0 HG12 VAL A 107 3.188 -0.792 -4.726 1.00 32.00 H new ATOM 0 HG13 VAL A 107 2.061 0.558 -4.451 1.00 32.00 H new ATOM 0 HG21 VAL A 107 -0.238 -1.126 -3.314 1.00 32.00 H new ATOM 0 HG22 VAL A 107 -0.404 0.165 -4.528 1.00 32.00 H new ATOM 0 HG23 VAL A 107 -1.036 -1.463 -4.869 1.00 32.00 H new ATOM 890 N LYS A 108 0.546 -2.982 -7.738 1.00 32.00 N ATOM 891 CA LYS A 108 -0.346 -3.905 -8.434 1.00 32.00 C ATOM 892 C LYS A 108 -0.146 -5.325 -7.915 1.00 32.00 C ATOM 893 O LYS A 108 0.867 -5.635 -7.288 1.00 32.00 O ATOM 894 CB LYS A 108 -0.074 -3.881 -9.939 1.00 32.00 C ATOM 895 CG LYS A 108 -0.923 -2.790 -10.595 1.00 32.00 C ATOM 896 CD LYS A 108 -0.884 -2.957 -12.115 1.00 32.00 C ATOM 897 CE LYS A 108 -1.977 -2.096 -12.752 1.00 32.00 C ATOM 898 NZ LYS A 108 -2.154 -2.422 -14.196 1.00 32.00 N ATOM 0 H LYS A 108 1.524 -3.269 -7.717 1.00 32.00 H new ATOM 0 HA LYS A 108 -1.372 -3.589 -8.248 1.00 32.00 H new ATOM 0 HB2 LYS A 108 0.984 -3.694 -10.125 1.00 32.00 H new ATOM 0 HB3 LYS A 108 -0.308 -4.851 -10.377 1.00 32.00 H new ATOM 0 HG2 LYS A 108 -1.951 -2.851 -10.238 1.00 32.00 H new ATOM 0 HG3 LYS A 108 -0.547 -1.805 -10.317 1.00 32.00 H new ATOM 0 HD2 LYS A 108 0.094 -2.665 -12.499 1.00 32.00 H new ATOM 0 HD3 LYS A 108 -1.030 -4.004 -12.380 1.00 32.00 H new ATOM 0 HE2 LYS A 108 -2.918 -2.251 -12.224 1.00 32.00 H new ATOM 0 HE3 LYS A 108 -1.721 -1.042 -12.644 1.00 32.00 H new ATOM 0 HZ1 LYS A 108 -2.902 -1.821 -14.598 1.00 32.00 H new ATOM 0 HZ2 LYS A 108 -1.262 -2.250 -14.702 1.00 32.00 H new ATOM 0 HZ3 LYS A 108 -2.422 -3.422 -14.296 1.00 32.00 H new ATOM 912 N GLU A 109 -1.125 -6.185 -8.183 1.00 32.00 N ATOM 913 CA GLU A 109 -1.049 -7.574 -7.738 1.00 32.00 C ATOM 914 C GLU A 109 0.160 -8.268 -8.359 1.00 32.00 C ATOM 915 O GLU A 109 0.543 -7.982 -9.494 1.00 32.00 O ATOM 916 CB GLU A 109 -2.317 -8.334 -8.133 1.00 32.00 C ATOM 917 CG GLU A 109 -3.359 -8.201 -7.021 1.00 32.00 C ATOM 918 CD GLU A 109 -4.698 -8.740 -7.511 1.00 32.00 C ATOM 919 OE1 GLU A 109 -4.933 -9.926 -7.346 1.00 32.00 O ATOM 920 OE2 GLU A 109 -5.470 -7.959 -8.043 1.00 32.00 O ATOM 0 H GLU A 109 -1.972 -5.949 -8.700 1.00 32.00 H new ATOM 0 HA GLU A 109 -0.950 -7.574 -6.653 1.00 32.00 H new ATOM 0 HB2 GLU A 109 -2.715 -7.938 -9.068 1.00 32.00 H new ATOM 0 HB3 GLU A 109 -2.085 -9.385 -8.305 1.00 32.00 H new ATOM 0 HG2 GLU A 109 -3.035 -8.751 -6.137 1.00 32.00 H new ATOM 0 HG3 GLU A 109 -3.461 -7.156 -6.727 1.00 32.00 H new ATOM 927 N ARG A 110 0.758 -9.182 -7.599 1.00 32.00 N ATOM 928 CA ARG A 110 1.928 -9.917 -8.077 1.00 32.00 C ATOM 929 C ARG A 110 3.071 -8.956 -8.394 1.00 32.00 C ATOM 930 O ARG A 110 3.867 -9.193 -9.302 1.00 32.00 O ATOM 931 CB ARG A 110 1.584 -10.717 -9.335 1.00 32.00 C ATOM 932 CG ARG A 110 0.911 -12.032 -8.936 1.00 32.00 C ATOM 933 CD ARG A 110 1.977 -13.110 -8.731 1.00 32.00 C ATOM 934 NE ARG A 110 1.437 -14.432 -9.037 1.00 32.00 N ATOM 935 CZ ARG A 110 1.846 -15.108 -10.106 1.00 32.00 C ATOM 936 NH1 ARG A 110 1.723 -14.586 -11.296 1.00 32.00 N ATOM 937 NH2 ARG A 110 2.372 -16.295 -9.966 1.00 32.00 N ATOM 0 H ARG A 110 0.456 -9.431 -6.657 1.00 32.00 H new ATOM 0 HA ARG A 110 2.238 -10.601 -7.287 1.00 32.00 H new ATOM 0 HB2 ARG A 110 0.921 -10.137 -9.977 1.00 32.00 H new ATOM 0 HB3 ARG A 110 2.488 -10.919 -9.909 1.00 32.00 H new ATOM 0 HG2 ARG A 110 0.336 -11.895 -8.020 1.00 32.00 H new ATOM 0 HG3 ARG A 110 0.209 -12.343 -9.710 1.00 32.00 H new ATOM 0 HD2 ARG A 110 2.836 -12.905 -9.370 1.00 32.00 H new ATOM 0 HD3 ARG A 110 2.333 -13.086 -7.701 1.00 32.00 H new ATOM 0 HE ARG A 110 0.735 -14.843 -8.421 1.00 32.00 H new ATOM 0 HH11 ARG A 110 1.313 -13.659 -11.406 1.00 32.00 H new ATOM 0 HH12 ARG A 110 2.037 -15.105 -12.116 1.00 32.00 H new ATOM 0 HH21 ARG A 110 2.469 -16.703 -9.036 1.00 32.00 H new ATOM 0 HH22 ARG A 110 2.686 -16.814 -10.786 1.00 32.00 H new ATOM 951 N ASP A 111 3.141 -7.868 -7.631 1.00 32.00 N ATOM 952 CA ASP A 111 4.190 -6.873 -7.834 1.00 32.00 C ATOM 953 C ASP A 111 5.068 -6.766 -6.591 1.00 32.00 C ATOM 954 O ASP A 111 4.603 -6.959 -5.467 1.00 32.00 O ATOM 955 CB ASP A 111 3.579 -5.502 -8.132 1.00 32.00 C ATOM 956 CG ASP A 111 4.552 -4.683 -8.972 1.00 32.00 C ATOM 957 OD1 ASP A 111 4.832 -5.092 -10.087 1.00 32.00 O ATOM 958 OD2 ASP A 111 5.004 -3.658 -8.488 1.00 32.00 O ATOM 0 H ASP A 111 2.491 -7.654 -6.874 1.00 32.00 H new ATOM 0 HA ASP A 111 4.796 -7.191 -8.682 1.00 32.00 H new ATOM 0 HB2 ASP A 111 2.634 -5.621 -8.663 1.00 32.00 H new ATOM 0 HB3 ASP A 111 3.358 -4.980 -7.201 1.00 32.00 H new ATOM 963 N ALA A 112 6.343 -6.458 -6.806 1.00 32.00 N ATOM 964 CA ALA A 112 7.283 -6.328 -5.695 1.00 32.00 C ATOM 965 C ALA A 112 7.342 -4.883 -5.211 1.00 32.00 C ATOM 966 O ALA A 112 7.369 -3.946 -6.008 1.00 32.00 O ATOM 967 CB ALA A 112 8.684 -6.766 -6.125 1.00 32.00 C ATOM 0 H ALA A 112 6.747 -6.295 -7.728 1.00 32.00 H new ATOM 0 HA ALA A 112 6.935 -6.968 -4.885 1.00 32.00 H new ATOM 0 HB1 ALA A 112 9.371 -6.663 -5.285 1.00 32.00 H new ATOM 0 HB2 ALA A 112 8.657 -7.807 -6.446 1.00 32.00 H new ATOM 0 HB3 ALA A 112 9.023 -6.141 -6.951 1.00 32.00 H new ATOM 973 N VAL A 113 7.364 -4.715 -3.891 1.00 32.00 N ATOM 974 CA VAL A 113 7.421 -3.379 -3.304 1.00 32.00 C ATOM 975 C VAL A 113 8.644 -3.248 -2.400 1.00 32.00 C ATOM 976 O VAL A 113 9.418 -4.191 -2.237 1.00 32.00 O ATOM 977 CB VAL A 113 6.160 -3.098 -2.484 1.00 32.00 C ATOM 978 CG1 VAL A 113 4.943 -3.078 -3.411 1.00 32.00 C ATOM 979 CG2 VAL A 113 5.978 -4.196 -1.432 1.00 32.00 C ATOM 0 H VAL A 113 7.343 -5.478 -3.214 1.00 32.00 H new ATOM 0 HA VAL A 113 7.490 -2.656 -4.117 1.00 32.00 H new ATOM 0 HB VAL A 113 6.258 -2.132 -1.989 1.00 32.00 H new ATOM 0 HG11 VAL A 113 4.044 -2.878 -2.827 1.00 32.00 H new ATOM 0 HG12 VAL A 113 5.070 -2.297 -4.161 1.00 32.00 H new ATOM 0 HG13 VAL A 113 4.847 -4.044 -3.906 1.00 32.00 H new ATOM 0 HG21 VAL A 113 5.080 -3.995 -0.848 1.00 32.00 H new ATOM 0 HG22 VAL A 113 5.881 -5.162 -1.927 1.00 32.00 H new ATOM 0 HG23 VAL A 113 6.844 -4.213 -0.771 1.00 32.00 H new ATOM 989 N GLN A 114 8.807 -2.066 -1.814 1.00 32.00 N ATOM 990 CA GLN A 114 9.938 -1.818 -0.924 1.00 32.00 C ATOM 991 C GLN A 114 9.475 -1.083 0.329 1.00 32.00 C ATOM 992 O GLN A 114 8.584 -0.236 0.276 1.00 32.00 O ATOM 993 CB GLN A 114 11.002 -0.977 -1.632 1.00 32.00 C ATOM 994 CG GLN A 114 11.845 -1.877 -2.537 1.00 32.00 C ATOM 995 CD GLN A 114 12.991 -1.068 -3.135 1.00 32.00 C ATOM 996 OE1 GLN A 114 13.597 -0.241 -2.453 1.00 32.00 O ATOM 997 NE2 GLN A 114 13.327 -1.258 -4.381 1.00 32.00 N ATOM 0 H GLN A 114 8.178 -1.272 -1.937 1.00 32.00 H new ATOM 0 HA GLN A 114 10.365 -2.781 -0.644 1.00 32.00 H new ATOM 0 HB2 GLN A 114 10.528 -0.192 -2.222 1.00 32.00 H new ATOM 0 HB3 GLN A 114 11.638 -0.483 -0.898 1.00 32.00 H new ATOM 0 HG2 GLN A 114 12.239 -2.718 -1.966 1.00 32.00 H new ATOM 0 HG3 GLN A 114 11.226 -2.293 -3.332 1.00 32.00 H new ATOM 0 HE21 GLN A 114 12.825 -1.943 -4.946 1.00 32.00 H new ATOM 0 HE22 GLN A 114 14.092 -0.722 -4.790 1.00 32.00 H new ATOM 1006 N GLY A 115 10.092 -1.418 1.461 1.00 32.00 N ATOM 1007 CA GLY A 115 9.736 -0.785 2.730 1.00 32.00 C ATOM 1008 C GLY A 115 9.934 0.726 2.658 1.00 32.00 C ATOM 1009 O GLY A 115 11.050 1.213 2.473 1.00 32.00 O ATOM 0 H GLY A 115 10.833 -2.116 1.526 1.00 32.00 H new ATOM 0 HA2 GLY A 115 8.697 -1.009 2.974 1.00 32.00 H new ATOM 0 HA3 GLY A 115 10.348 -1.198 3.532 1.00 32.00 H new ATOM 1013 N GLY A 116 8.836 1.462 2.805 1.00 32.00 N ATOM 1014 CA GLY A 116 8.896 2.920 2.752 1.00 32.00 C ATOM 1015 C GLY A 116 8.387 3.438 1.410 1.00 32.00 C ATOM 1016 O GLY A 116 7.864 4.548 1.317 1.00 32.00 O ATOM 0 H GLY A 116 7.904 1.079 2.960 1.00 32.00 H new ATOM 0 HA2 GLY A 116 8.298 3.342 3.560 1.00 32.00 H new ATOM 0 HA3 GLY A 116 9.922 3.252 2.909 1.00 32.00 H new ATOM 1020 N GLN A 117 8.546 2.621 0.369 1.00 32.00 N ATOM 1021 CA GLN A 117 8.100 3.005 -0.971 1.00 32.00 C ATOM 1022 C GLN A 117 6.603 3.305 -0.978 1.00 32.00 C ATOM 1023 O GLN A 117 5.821 2.655 -0.284 1.00 32.00 O ATOM 1024 CB GLN A 117 8.386 1.881 -1.969 1.00 32.00 C ATOM 1025 CG GLN A 117 8.136 2.385 -3.392 1.00 32.00 C ATOM 1026 CD GLN A 117 8.311 1.234 -4.377 1.00 32.00 C ATOM 1027 OE1 GLN A 117 9.416 0.985 -4.861 1.00 32.00 O ATOM 1028 NE2 GLN A 117 7.277 0.509 -4.705 1.00 32.00 N ATOM 0 H GLN A 117 8.976 1.698 0.426 1.00 32.00 H new ATOM 0 HA GLN A 117 8.648 3.902 -1.261 1.00 32.00 H new ATOM 0 HB2 GLN A 117 9.418 1.544 -1.867 1.00 32.00 H new ATOM 0 HB3 GLN A 117 7.748 1.023 -1.759 1.00 32.00 H new ATOM 0 HG2 GLN A 117 7.130 2.796 -3.472 1.00 32.00 H new ATOM 0 HG3 GLN A 117 8.830 3.191 -3.631 1.00 32.00 H new ATOM 0 HE21 GLN A 117 6.362 0.715 -4.304 1.00 32.00 H new ATOM 0 HE22 GLN A 117 7.384 -0.264 -5.362 1.00 32.00 H new ATOM 1037 N GLY A 118 6.216 4.299 -1.772 1.00 32.00 N ATOM 1038 CA GLY A 118 4.811 4.684 -1.866 1.00 32.00 C ATOM 1039 C GLY A 118 3.967 3.527 -2.390 1.00 32.00 C ATOM 1040 O GLY A 118 4.168 3.048 -3.506 1.00 32.00 O ATOM 0 H GLY A 118 6.848 4.848 -2.354 1.00 32.00 H new ATOM 0 HA2 GLY A 118 4.447 4.991 -0.886 1.00 32.00 H new ATOM 0 HA3 GLY A 118 4.708 5.544 -2.528 1.00 32.00 H new ATOM 1044 N LEU A 119 3.020 3.085 -1.569 1.00 32.00 N ATOM 1045 CA LEU A 119 2.146 1.981 -1.955 1.00 32.00 C ATOM 1046 C LEU A 119 0.918 2.509 -2.690 1.00 32.00 C ATOM 1047 O LEU A 119 0.649 2.132 -3.830 1.00 32.00 O ATOM 1048 CB LEU A 119 1.693 1.199 -0.722 1.00 32.00 C ATOM 1049 CG LEU A 119 2.790 0.407 -0.007 1.00 32.00 C ATOM 1050 CD1 LEU A 119 2.211 -0.252 1.247 1.00 32.00 C ATOM 1051 CD2 LEU A 119 3.331 -0.674 -0.946 1.00 32.00 C ATOM 0 H LEU A 119 2.838 3.469 -0.642 1.00 32.00 H new ATOM 0 HA LEU A 119 2.709 1.320 -2.614 1.00 32.00 H new ATOM 0 HB2 LEU A 119 1.251 1.898 -0.012 1.00 32.00 H new ATOM 0 HB3 LEU A 119 0.905 0.507 -1.021 1.00 32.00 H new ATOM 0 HG LEU A 119 3.598 1.081 0.278 1.00 32.00 H new ATOM 0 HD11 LEU A 119 2.993 -0.816 1.756 1.00 32.00 H new ATOM 0 HD12 LEU A 119 1.824 0.516 1.916 1.00 32.00 H new ATOM 0 HD13 LEU A 119 1.403 -0.927 0.964 1.00 32.00 H new ATOM 0 HD21 LEU A 119 4.113 -1.239 -0.438 1.00 32.00 H new ATOM 0 HD22 LEU A 119 2.522 -1.347 -1.230 1.00 32.00 H new ATOM 0 HD23 LEU A 119 3.744 -0.206 -1.840 1.00 32.00 H new ATOM 1063 N ILE A 120 0.177 3.389 -2.023 1.00 32.00 N ATOM 1064 CA ILE A 120 -1.024 3.966 -2.621 1.00 32.00 C ATOM 1065 C ILE A 120 -1.141 5.443 -2.257 1.00 32.00 C ATOM 1066 O ILE A 120 -0.673 5.878 -1.205 1.00 32.00 O ATOM 1067 CB ILE A 120 -2.276 3.232 -2.133 1.00 32.00 C ATOM 1068 CG1 ILE A 120 -2.104 1.726 -2.352 1.00 32.00 C ATOM 1069 CG2 ILE A 120 -3.497 3.721 -2.915 1.00 32.00 C ATOM 1070 CD1 ILE A 120 -3.277 0.981 -1.712 1.00 32.00 C ATOM 0 H ILE A 120 0.383 3.716 -1.079 1.00 32.00 H new ATOM 0 HA ILE A 120 -0.943 3.861 -3.703 1.00 32.00 H new ATOM 0 HB ILE A 120 -2.420 3.433 -1.071 1.00 32.00 H new ATOM 0 HG12 ILE A 120 -2.058 1.506 -3.418 1.00 32.00 H new ATOM 0 HG13 ILE A 120 -1.164 1.389 -1.916 1.00 32.00 H new ATOM 0 HG21 ILE A 120 -4.387 3.197 -2.566 1.00 32.00 H new ATOM 0 HG22 ILE A 120 -3.623 4.793 -2.760 1.00 32.00 H new ATOM 0 HG23 ILE A 120 -3.352 3.522 -3.977 1.00 32.00 H new ATOM 0 HD11 ILE A 120 -3.155 -0.091 -1.867 1.00 32.00 H new ATOM 0 HD12 ILE A 120 -3.302 1.192 -0.643 1.00 32.00 H new ATOM 0 HD13 ILE A 120 -4.210 1.310 -2.169 1.00 32.00 H new ATOM 1082 N LYS A 121 -1.774 6.208 -3.142 1.00 32.00 N ATOM 1083 CA LYS A 121 -1.954 7.638 -2.908 1.00 32.00 C ATOM 1084 C LYS A 121 -3.328 7.906 -2.303 1.00 32.00 C ATOM 1085 O LYS A 121 -4.351 7.469 -2.830 1.00 32.00 O ATOM 1086 CB LYS A 121 -1.827 8.414 -4.220 1.00 32.00 C ATOM 1087 CG LYS A 121 -1.252 9.804 -3.938 1.00 32.00 C ATOM 1088 CD LYS A 121 -0.842 10.463 -5.256 1.00 32.00 C ATOM 1089 CE LYS A 121 0.342 11.400 -5.011 1.00 32.00 C ATOM 1090 NZ LYS A 121 0.706 12.150 -6.247 1.00 32.00 N ATOM 0 H LYS A 121 -2.167 5.867 -4.019 1.00 32.00 H new ATOM 0 HA LYS A 121 -1.180 7.968 -2.216 1.00 32.00 H new ATOM 0 HB2 LYS A 121 -1.180 7.875 -4.912 1.00 32.00 H new ATOM 0 HB3 LYS A 121 -2.802 8.503 -4.698 1.00 32.00 H new ATOM 0 HG2 LYS A 121 -1.993 10.419 -3.427 1.00 32.00 H new ATOM 0 HG3 LYS A 121 -0.390 9.725 -3.275 1.00 32.00 H new ATOM 0 HD2 LYS A 121 -0.571 9.701 -5.987 1.00 32.00 H new ATOM 0 HD3 LYS A 121 -1.681 11.021 -5.672 1.00 32.00 H new ATOM 0 HE2 LYS A 121 0.093 12.104 -4.217 1.00 32.00 H new ATOM 0 HE3 LYS A 121 1.200 10.822 -4.668 1.00 32.00 H new ATOM 0 HZ1 LYS A 121 1.512 12.777 -6.048 1.00 32.00 H new ATOM 0 HZ2 LYS A 121 0.967 11.478 -6.997 1.00 32.00 H new ATOM 0 HZ3 LYS A 121 -0.106 12.719 -6.559 1.00 32.00 H new ATOM 1104 N ILE A 122 -3.338 8.630 -1.187 1.00 32.00 N ATOM 1105 CA ILE A 122 -4.593 8.951 -0.513 1.00 32.00 C ATOM 1106 C ILE A 122 -4.948 10.420 -0.717 1.00 32.00 C ATOM 1107 O ILE A 122 -4.071 11.282 -0.785 1.00 32.00 O ATOM 1108 CB ILE A 122 -4.485 8.667 0.990 1.00 32.00 C ATOM 1109 CG1 ILE A 122 -3.949 7.243 1.218 1.00 32.00 C ATOM 1110 CG2 ILE A 122 -5.863 8.812 1.641 1.00 32.00 C ATOM 1111 CD1 ILE A 122 -4.891 6.210 0.586 1.00 32.00 C ATOM 0 H ILE A 122 -2.503 9.002 -0.735 1.00 32.00 H new ATOM 0 HA ILE A 122 -5.374 8.325 -0.944 1.00 32.00 H new ATOM 0 HB ILE A 122 -3.796 9.382 1.440 1.00 32.00 H new ATOM 0 HG12 ILE A 122 -2.953 7.149 0.786 1.00 32.00 H new ATOM 0 HG13 ILE A 122 -3.852 7.051 2.287 1.00 32.00 H new ATOM 0 HG21 ILE A 122 -5.784 8.610 2.709 1.00 32.00 H new ATOM 0 HG22 ILE A 122 -6.232 9.827 1.490 1.00 32.00 H new ATOM 0 HG23 ILE A 122 -6.556 8.103 1.188 1.00 32.00 H new ATOM 0 HD11 ILE A 122 -4.498 5.208 0.756 1.00 32.00 H new ATOM 0 HD12 ILE A 122 -5.879 6.294 1.038 1.00 32.00 H new ATOM 0 HD13 ILE A 122 -4.966 6.394 -0.486 1.00 32.00 H new ATOM 1123 N GLY A 123 -6.246 10.695 -0.814 1.00 32.00 N ATOM 1124 CA GLY A 123 -6.712 12.065 -1.010 1.00 32.00 C ATOM 1125 C GLY A 123 -8.235 12.128 -0.970 1.00 32.00 C ATOM 1126 O GLY A 123 -8.774 12.263 0.116 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.840 12.041 -2.026 1.00 0.00 O ATOM 0 H GLY A 123 -6.987 9.996 -0.761 1.00 32.00 H new ATOM 0 HA2 GLY A 123 -6.296 12.710 -0.236 1.00 32.00 H new ATOM 0 HA3 GLY A 123 -6.353 12.443 -1.967 1.00 32.00 H new TER 1131 GLY A 123 END