USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) HEADER ACYLTRANSFERASE 16-JAN-96 1GHJ TITLE SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE 2- TITLE 2 OXOGLUTARATE DEHYDROGENASE COMPLEX FROM AZOTOBACTER TITLE 3 VINELAND II, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: E2, THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE COMPND 3 COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: LIPOYL DOMAIN, RESIDUES 1-79; COMPND 6 SYNONYM: E2; COMPND 7 EC: 2.3.1.61; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; SOURCE 3 ORGANISM_TAXID: 354; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS GLYCOLYSIS, TRANSFERASE, ACYLTRANSFERASE, LIPOYL EXPDTA SOLUTION NMR AUTHOR A.BERG,J.VERVOORT,A.DE KOK REVDAT 3 24-FEB-09 1GHJ 1 VERSN REVDAT 2 01-APR-03 1GHJ 1 JRNL REVDAT 1 11-JAN-97 1GHJ 0 JRNL AUTH A.BERG,J.VERVOORT,A.DE KOK JRNL TITL SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE JRNL TITL 2 2-OXOGLUTARATE DEHYDROGENASE COMPLEX FROM JRNL TITL 3 AZOTOBACTER VINELANDII. JRNL REF J.MOL.BIOL. V. 261 432 1996 JRNL REFN ISSN 0022-2836 JRNL PMID 8780784 JRNL DOI 10.1006/JMBI.1996.0474 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.BERG,O.SMITS,A.DE KOK,J.VERVOORT REMARK 1 TITL SEQUENTIAL 1H AND 15N NUCLEAR MAGNETIC RESONANCE REMARK 1 TITL 2 ASSIGNMENTS AND SECONDARY STRUCTURE OF THE LIPOYL REMARK 1 TITL 3 DOMAIN OF THE 2-OXOGLUTARATE DEHYDROGENASE COMPLEX REMARK 1 TITL 4 FROM AZOTOBACTER VINELANDII. EVIDENCE FOR HIGH REMARK 1 TITL 5 STRUCTURAL SIMILARITY WITH THE LIPOYL DOMAIN OF REMARK 1 TITL 6 THE PYRUVATE DEHYDROGENASE COMPLEX REMARK 1 REF EUR.J.BIOCHEM. V. 234 148 1995 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GHJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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 PRO A 10 -160.00 -78.00 REMARK 500 ASP A 15 -170.89 -176.59 REMARK 500 VAL A 18 159.92 -48.22 REMARK 500 ALA A 19 -74.70 -104.22 REMARK 500 ASP A 32 37.78 70.01 REMARK 500 LEU A 34 158.96 -40.42 REMARK 500 ILE A 35 -41.83 -141.27 REMARK 500 LYS A 42 28.58 -153.22 REMARK 500 ALA A 51 145.38 166.53 REMARK 500 ASP A 52 170.82 -58.87 REMARK 500 GLU A 57 148.21 -179.56 REMARK 500 GLU A 77 -168.97 -60.74 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 31 0.23 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1GHK RELATED DB: PDB DBREF 1GHJ A 1 79 UNP P20708 ODO2_AZOVI 2 80 SEQRES 1 A 79 ALA ILE ASP ILE LYS ALA PRO THR PHE PRO GLU SER ILE SEQRES 2 A 79 ALA ASP GLY THR VAL ALA THR TRP HIS LYS LYS PRO GLY SEQRES 3 A 79 GLU ALA VAL LYS ARG ASP GLU LEU ILE VAL ASP ILE GLU SEQRES 4 A 79 THR ASP LYS VAL VAL MET GLU VAL LEU ALA GLU ALA ASP SEQRES 5 A 79 GLY VAL ILE ALA GLU ILE VAL LYS ASN GLU GLY ASP THR SEQRES 6 A 79 VAL LEU SER GLY GLU LEU LEU GLY LYS LEU THR GLU GLY SEQRES 7 A 79 GLY SHEET 1 A 4 ILE A 2 LYS A 5 0 SHEET 2 A 4 LEU A 71 THR A 76 -1 N LEU A 75 O ILE A 2 SHEET 3 A 4 GLY A 53 ILE A 58 -1 O VAL A 54 N THR A 76 SHEET 4 A 4 GLU A 27 VAL A 29 -1 N VAL A 29 O GLY A 53 SHEET 1 B 4 VAL A 44 LEU A 48 0 SHEET 2 B 4 LEU A 34 GLU A 39 -1 N ILE A 38 O MET A 45 SHEET 3 B 4 GLY A 16 TRP A 21 -1 O THR A 17 N GLU A 39 SHEET 4 B 4 ASP A 64 VAL A 66 -1 N VAL A 66 O GLY A 16 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 20 THR OG1 : rot -5:sc= 1.11 USER MOD Single : A 22 HIS : no HD1:sc= -7.16! C(o=-7.2!,f=-18!) USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0261) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 98:sc= 0.819 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -114:sc= 0.212 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -160:sc= -0.751 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 90:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.271 8.444 1.238 1.00 1.62 N ATOM 2 CA ALA A 1 -10.203 8.726 0.238 1.00 1.06 C ATOM 3 C ALA A 1 -8.844 8.333 0.819 1.00 1.00 C ATOM 4 O ALA A 1 -8.484 8.733 1.908 1.00 1.22 O ATOM 5 CB ALA A 1 -10.201 10.218 -0.100 1.00 1.75 C ATOM 0 H1 ALA A 1 -12.195 8.711 0.843 1.00 1.62 H new ATOM 0 H2 ALA A 1 -11.273 7.430 1.468 1.00 1.62 H new ATOM 0 H3 ALA A 1 -11.092 8.994 2.102 1.00 1.62 H new ATOM 0 HA ALA A 1 -10.392 8.149 -0.667 1.00 1.06 H new ATOM 0 HB1 ALA A 1 -9.420 10.424 -0.832 1.00 1.75 H new ATOM 0 HB2 ALA A 1 -11.169 10.498 -0.514 1.00 1.75 H new ATOM 0 HB3 ALA A 1 -10.013 10.796 0.805 1.00 1.75 H new ATOM 13 N ILE A 2 -8.084 7.551 0.101 1.00 0.84 N ATOM 14 CA ILE A 2 -6.749 7.134 0.613 1.00 0.93 C ATOM 15 C ILE A 2 -5.738 7.136 -0.536 1.00 0.81 C ATOM 16 O ILE A 2 -5.809 6.328 -1.440 1.00 0.89 O ATOM 17 CB ILE A 2 -6.847 5.726 1.203 1.00 1.07 C ATOM 18 CG1 ILE A 2 -8.185 5.570 1.929 1.00 1.34 C ATOM 19 CG2 ILE A 2 -5.702 5.506 2.193 1.00 1.55 C ATOM 20 CD1 ILE A 2 -8.348 4.122 2.396 1.00 2.07 C ATOM 0 H ILE A 2 -8.331 7.183 -0.818 1.00 0.84 H new ATOM 0 HA ILE A 2 -6.422 7.830 1.385 1.00 0.93 H new ATOM 0 HB ILE A 2 -6.780 4.991 0.401 1.00 1.07 H new ATOM 0 HG12 ILE A 2 -8.228 6.246 2.783 1.00 1.34 H new ATOM 0 HG13 ILE A 2 -9.005 5.843 1.265 1.00 1.34 H new ATOM 0 HG21 ILE A 2 -5.772 4.503 2.613 1.00 1.55 H new ATOM 0 HG22 ILE A 2 -4.748 5.617 1.677 1.00 1.55 H new ATOM 0 HG23 ILE A 2 -5.768 6.241 2.995 1.00 1.55 H new ATOM 0 HD11 ILE A 2 -9.301 4.012 2.913 1.00 2.07 H new ATOM 0 HD12 ILE A 2 -8.324 3.457 1.533 1.00 2.07 H new ATOM 0 HD13 ILE A 2 -7.535 3.865 3.075 1.00 2.07 H new ATOM 32 N ASP A 3 -4.797 8.040 -0.508 1.00 0.80 N ATOM 33 CA ASP A 3 -3.783 8.093 -1.599 1.00 0.69 C ATOM 34 C ASP A 3 -2.859 6.878 -1.495 1.00 0.65 C ATOM 35 O ASP A 3 -2.411 6.517 -0.425 1.00 0.79 O ATOM 36 CB ASP A 3 -2.958 9.375 -1.466 1.00 0.77 C ATOM 37 CG ASP A 3 -2.057 9.531 -2.692 1.00 0.80 C ATOM 38 OD1 ASP A 3 -2.206 8.748 -3.616 1.00 1.40 O ATOM 39 OD2 ASP A 3 -1.234 10.432 -2.687 1.00 1.30 O ATOM 0 H ASP A 3 -4.687 8.743 0.222 1.00 0.80 H new ATOM 0 HA ASP A 3 -4.287 8.084 -2.565 1.00 0.69 H new ATOM 0 HB2 ASP A 3 -3.618 10.237 -1.375 1.00 0.77 H new ATOM 0 HB3 ASP A 3 -2.354 9.339 -0.560 1.00 0.77 H new ATOM 44 N ILE A 4 -2.570 6.245 -2.599 1.00 0.56 N ATOM 45 CA ILE A 4 -1.675 5.055 -2.562 1.00 0.61 C ATOM 46 C ILE A 4 -0.395 5.355 -3.344 1.00 0.57 C ATOM 47 O ILE A 4 -0.406 5.465 -4.554 1.00 0.71 O ATOM 48 CB ILE A 4 -2.390 3.860 -3.195 1.00 0.65 C ATOM 49 CG1 ILE A 4 -3.743 3.655 -2.509 1.00 0.77 C ATOM 50 CG2 ILE A 4 -1.537 2.602 -3.021 1.00 0.83 C ATOM 51 CD1 ILE A 4 -4.568 2.637 -3.299 1.00 1.35 C ATOM 0 H ILE A 4 -2.915 6.501 -3.524 1.00 0.56 H new ATOM 0 HA ILE A 4 -1.423 4.822 -1.527 1.00 0.61 H new ATOM 0 HB ILE A 4 -2.544 4.051 -4.257 1.00 0.65 H new ATOM 0 HG12 ILE A 4 -3.595 3.305 -1.487 1.00 0.77 H new ATOM 0 HG13 ILE A 4 -4.278 4.603 -2.447 1.00 0.77 H new ATOM 0 HG21 ILE A 4 -2.047 1.751 -3.472 1.00 0.83 H new ATOM 0 HG22 ILE A 4 -0.572 2.746 -3.507 1.00 0.83 H new ATOM 0 HG23 ILE A 4 -1.383 2.411 -1.959 1.00 0.83 H new ATOM 0 HD11 ILE A 4 -5.531 2.491 -2.810 1.00 1.35 H new ATOM 0 HD12 ILE A 4 -4.727 3.006 -4.312 1.00 1.35 H new ATOM 0 HD13 ILE A 4 -4.034 1.688 -3.338 1.00 1.35 H new ATOM 63 N LYS A 5 0.710 5.488 -2.663 1.00 0.53 N ATOM 64 CA LYS A 5 1.990 5.780 -3.368 1.00 0.53 C ATOM 65 C LYS A 5 3.081 4.838 -2.856 1.00 0.57 C ATOM 66 O LYS A 5 2.904 4.141 -1.877 1.00 0.66 O ATOM 67 CB LYS A 5 2.401 7.230 -3.100 1.00 0.55 C ATOM 68 CG LYS A 5 2.053 7.600 -1.656 1.00 1.22 C ATOM 69 CD LYS A 5 2.213 9.110 -1.464 1.00 1.55 C ATOM 70 CE LYS A 5 2.419 9.417 0.020 1.00 2.05 C ATOM 71 NZ LYS A 5 1.536 10.548 0.421 1.00 2.58 N ATOM 0 H LYS A 5 0.782 5.407 -1.649 1.00 0.53 H new ATOM 0 HA LYS A 5 1.856 5.632 -4.440 1.00 0.53 H new ATOM 0 HB2 LYS A 5 3.470 7.354 -3.271 1.00 0.55 H new ATOM 0 HB3 LYS A 5 1.888 7.898 -3.792 1.00 0.55 H new ATOM 0 HG2 LYS A 5 1.030 7.300 -1.429 1.00 1.22 H new ATOM 0 HG3 LYS A 5 2.703 7.064 -0.965 1.00 1.22 H new ATOM 0 HD2 LYS A 5 3.063 9.473 -2.043 1.00 1.55 H new ATOM 0 HD3 LYS A 5 1.330 9.630 -1.835 1.00 1.55 H new ATOM 0 HE2 LYS A 5 2.193 8.535 0.619 1.00 2.05 H new ATOM 0 HE3 LYS A 5 3.462 9.672 0.208 1.00 2.05 H new ATOM 0 HZ1 LYS A 5 1.676 10.757 1.430 1.00 2.58 H new ATOM 0 HZ2 LYS A 5 1.772 11.389 -0.143 1.00 2.58 H new ATOM 0 HZ3 LYS A 5 0.543 10.288 0.256 1.00 2.58 H new ATOM 85 N ALA A 6 4.210 4.810 -3.511 1.00 0.61 N ATOM 86 CA ALA A 6 5.311 3.913 -3.061 1.00 0.68 C ATOM 87 C ALA A 6 5.849 4.401 -1.714 1.00 0.69 C ATOM 88 O ALA A 6 5.702 5.557 -1.370 1.00 0.71 O ATOM 89 CB ALA A 6 6.437 3.929 -4.097 1.00 0.71 C ATOM 0 H ALA A 6 4.417 5.370 -4.338 1.00 0.61 H new ATOM 0 HA ALA A 6 4.931 2.897 -2.953 1.00 0.68 H new ATOM 0 HB1 ALA A 6 7.243 3.273 -3.768 1.00 0.71 H new ATOM 0 HB2 ALA A 6 6.054 3.581 -5.056 1.00 0.71 H new ATOM 0 HB3 ALA A 6 6.817 4.945 -4.205 1.00 0.71 H new ATOM 95 N PRO A 7 6.459 3.497 -0.995 1.00 0.76 N ATOM 96 CA PRO A 7 7.039 3.789 0.327 1.00 0.84 C ATOM 97 C PRO A 7 8.379 4.515 0.174 1.00 0.76 C ATOM 98 O PRO A 7 9.002 4.474 -0.868 1.00 0.81 O ATOM 99 CB PRO A 7 7.236 2.402 0.945 1.00 0.98 C ATOM 100 CG PRO A 7 7.297 1.403 -0.236 1.00 0.96 C ATOM 101 CD PRO A 7 6.626 2.098 -1.436 1.00 0.83 C ATOM 0 HA PRO A 7 6.411 4.438 0.938 1.00 0.84 H new ATOM 0 HB2 PRO A 7 8.153 2.365 1.533 1.00 0.98 H new ATOM 0 HB3 PRO A 7 6.415 2.157 1.619 1.00 0.98 H new ATOM 0 HG2 PRO A 7 8.329 1.140 -0.468 1.00 0.96 H new ATOM 0 HG3 PRO A 7 6.780 0.476 0.013 1.00 0.96 H new ATOM 0 HD2 PRO A 7 7.245 2.033 -2.331 1.00 0.83 H new ATOM 0 HD3 PRO A 7 5.667 1.639 -1.677 1.00 0.83 H new ATOM 109 N THR A 8 8.826 5.179 1.205 1.00 0.88 N ATOM 110 CA THR A 8 10.123 5.906 1.118 1.00 0.85 C ATOM 111 C THR A 8 11.275 4.898 1.131 1.00 0.80 C ATOM 112 O THR A 8 11.483 4.192 2.097 1.00 1.05 O ATOM 113 CB THR A 8 10.260 6.852 2.313 1.00 1.01 C ATOM 114 OG1 THR A 8 9.223 7.822 2.267 1.00 1.51 O ATOM 115 CG2 THR A 8 11.619 7.551 2.261 1.00 1.67 C ATOM 0 H THR A 8 8.349 5.249 2.104 1.00 0.88 H new ATOM 0 HA THR A 8 10.154 6.482 0.193 1.00 0.85 H new ATOM 0 HB THR A 8 10.184 6.282 3.239 1.00 1.01 H new ATOM 0 HG1 THR A 8 9.308 8.428 3.032 1.00 1.51 H new ATOM 0 HG21 THR A 8 11.715 8.224 3.113 1.00 1.67 H new ATOM 0 HG22 THR A 8 12.413 6.805 2.297 1.00 1.67 H new ATOM 0 HG23 THR A 8 11.699 8.122 1.336 1.00 1.67 H new ATOM 123 N PHE A 9 12.024 4.825 0.065 1.00 0.68 N ATOM 124 CA PHE A 9 13.160 3.863 0.017 1.00 0.67 C ATOM 125 C PHE A 9 14.308 4.385 0.885 1.00 0.73 C ATOM 126 O PHE A 9 14.477 5.579 1.037 1.00 0.82 O ATOM 127 CB PHE A 9 13.642 3.713 -1.428 1.00 0.66 C ATOM 128 CG PHE A 9 12.483 3.299 -2.303 1.00 0.58 C ATOM 129 CD1 PHE A 9 12.074 1.960 -2.336 1.00 1.40 C ATOM 130 CD2 PHE A 9 11.819 4.254 -3.082 1.00 1.31 C ATOM 131 CE1 PHE A 9 10.999 1.577 -3.148 1.00 1.59 C ATOM 132 CE2 PHE A 9 10.744 3.870 -3.894 1.00 1.37 C ATOM 133 CZ PHE A 9 10.335 2.532 -3.927 1.00 1.03 C ATOM 0 H PHE A 9 11.898 5.390 -0.775 1.00 0.68 H new ATOM 0 HA PHE A 9 12.831 2.894 0.393 1.00 0.67 H new ATOM 0 HB2 PHE A 9 14.062 4.654 -1.783 1.00 0.66 H new ATOM 0 HB3 PHE A 9 14.437 2.969 -1.482 1.00 0.66 H new ATOM 0 HD1 PHE A 9 12.587 1.223 -1.736 1.00 1.40 H new ATOM 0 HD2 PHE A 9 12.135 5.286 -3.057 1.00 1.31 H new ATOM 0 HE1 PHE A 9 10.682 0.545 -3.173 1.00 1.59 H new ATOM 0 HE2 PHE A 9 10.231 4.606 -4.495 1.00 1.37 H new ATOM 0 HZ PHE A 9 9.507 2.236 -4.554 1.00 1.03 H new ATOM 143 N PRO A 10 15.061 3.467 1.429 1.00 0.84 N ATOM 144 CA PRO A 10 16.210 3.787 2.294 1.00 0.93 C ATOM 145 C PRO A 10 17.412 4.217 1.449 1.00 0.94 C ATOM 146 O PRO A 10 17.272 4.609 0.307 1.00 1.10 O ATOM 147 CB PRO A 10 16.493 2.467 3.016 1.00 1.20 C ATOM 148 CG PRO A 10 15.887 1.349 2.133 1.00 1.30 C ATOM 149 CD PRO A 10 14.835 2.022 1.231 1.00 1.04 C ATOM 0 HA PRO A 10 16.014 4.610 2.982 1.00 0.93 H new ATOM 0 HB2 PRO A 10 17.565 2.319 3.149 1.00 1.20 H new ATOM 0 HB3 PRO A 10 16.045 2.464 4.010 1.00 1.20 H new ATOM 0 HG2 PRO A 10 16.660 0.867 1.534 1.00 1.30 H new ATOM 0 HG3 PRO A 10 15.431 0.574 2.748 1.00 1.30 H new ATOM 0 HD2 PRO A 10 14.965 1.738 0.187 1.00 1.04 H new ATOM 0 HD3 PRO A 10 13.823 1.734 1.516 1.00 1.04 H new ATOM 157 N GLU A 11 18.593 4.148 2.001 1.00 1.09 N ATOM 158 CA GLU A 11 19.801 4.552 1.229 1.00 1.27 C ATOM 159 C GLU A 11 20.229 3.405 0.312 1.00 1.06 C ATOM 160 O GLU A 11 20.348 3.567 -0.887 1.00 1.15 O ATOM 161 CB GLU A 11 20.939 4.882 2.198 1.00 1.69 C ATOM 162 CG GLU A 11 21.720 6.089 1.677 1.00 2.38 C ATOM 163 CD GLU A 11 22.835 6.441 2.664 1.00 2.84 C ATOM 164 OE1 GLU A 11 22.899 5.807 3.704 1.00 3.22 O ATOM 165 OE2 GLU A 11 23.605 7.338 2.363 1.00 3.32 O ATOM 0 H GLU A 11 18.773 3.829 2.953 1.00 1.09 H new ATOM 0 HA GLU A 11 19.569 5.431 0.627 1.00 1.27 H new ATOM 0 HB2 GLU A 11 20.537 5.096 3.188 1.00 1.69 H new ATOM 0 HB3 GLU A 11 21.603 4.024 2.302 1.00 1.69 H new ATOM 0 HG2 GLU A 11 22.144 5.866 0.698 1.00 2.38 H new ATOM 0 HG3 GLU A 11 21.051 6.940 1.549 1.00 2.38 H new ATOM 172 N SER A 12 20.462 2.246 0.866 1.00 1.01 N ATOM 173 CA SER A 12 20.883 1.088 0.030 1.00 1.14 C ATOM 174 C SER A 12 20.071 1.068 -1.267 1.00 1.05 C ATOM 175 O SER A 12 20.604 0.876 -2.341 1.00 1.15 O ATOM 176 CB SER A 12 20.642 -0.211 0.801 1.00 1.33 C ATOM 177 OG SER A 12 21.252 -1.289 0.104 1.00 1.65 O ATOM 0 H SER A 12 20.378 2.052 1.864 1.00 1.01 H new ATOM 0 HA SER A 12 21.943 1.180 -0.208 1.00 1.14 H new ATOM 0 HB2 SER A 12 21.055 -0.133 1.807 1.00 1.33 H new ATOM 0 HB3 SER A 12 19.572 -0.391 0.909 1.00 1.33 H new ATOM 0 HG SER A 12 21.101 -2.123 0.595 1.00 1.65 H new ATOM 183 N ILE A 13 18.784 1.266 -1.175 1.00 0.95 N ATOM 184 CA ILE A 13 17.940 1.259 -2.403 1.00 0.90 C ATOM 185 C ILE A 13 17.615 2.698 -2.807 1.00 0.76 C ATOM 186 O ILE A 13 17.503 3.577 -1.975 1.00 0.89 O ATOM 187 CB ILE A 13 16.640 0.502 -2.124 1.00 0.99 C ATOM 188 CG1 ILE A 13 16.968 -0.870 -1.530 1.00 1.21 C ATOM 189 CG2 ILE A 13 15.865 0.319 -3.429 1.00 1.04 C ATOM 190 CD1 ILE A 13 15.686 -1.522 -1.010 1.00 1.94 C ATOM 0 H ILE A 13 18.281 1.432 -0.303 1.00 0.95 H new ATOM 0 HA ILE A 13 18.480 0.768 -3.212 1.00 0.90 H new ATOM 0 HB ILE A 13 16.033 1.070 -1.418 1.00 0.99 H new ATOM 0 HG12 ILE A 13 17.430 -1.504 -2.287 1.00 1.21 H new ATOM 0 HG13 ILE A 13 17.689 -0.764 -0.719 1.00 1.21 H new ATOM 0 HG21 ILE A 13 14.939 -0.220 -3.230 1.00 1.04 H new ATOM 0 HG22 ILE A 13 15.632 1.295 -3.854 1.00 1.04 H new ATOM 0 HG23 ILE A 13 16.471 -0.249 -4.135 1.00 1.04 H new ATOM 0 HD11 ILE A 13 15.920 -2.499 -0.587 1.00 1.94 H new ATOM 0 HD12 ILE A 13 15.243 -0.890 -0.240 1.00 1.94 H new ATOM 0 HD13 ILE A 13 14.980 -1.642 -1.832 1.00 1.94 H new ATOM 202 N ALA A 14 17.463 2.947 -4.079 1.00 0.69 N ATOM 203 CA ALA A 14 17.145 4.330 -4.534 1.00 0.69 C ATOM 204 C ALA A 14 15.879 4.306 -5.394 1.00 0.58 C ATOM 205 O ALA A 14 15.535 5.278 -6.036 1.00 0.65 O ATOM 206 CB ALA A 14 18.312 4.875 -5.360 1.00 0.95 C ATOM 0 H ALA A 14 17.545 2.253 -4.822 1.00 0.69 H new ATOM 0 HA ALA A 14 16.983 4.970 -3.667 1.00 0.69 H new ATOM 0 HB1 ALA A 14 18.081 5.887 -5.693 1.00 0.95 H new ATOM 0 HB2 ALA A 14 19.214 4.892 -4.748 1.00 0.95 H new ATOM 0 HB3 ALA A 14 18.474 4.235 -6.227 1.00 0.95 H new ATOM 212 N ASP A 15 15.184 3.202 -5.411 1.00 0.51 N ATOM 213 CA ASP A 15 13.942 3.117 -6.229 1.00 0.47 C ATOM 214 C ASP A 15 13.277 1.756 -6.008 1.00 0.40 C ATOM 215 O ASP A 15 13.666 0.998 -5.142 1.00 0.49 O ATOM 216 CB ASP A 15 14.294 3.277 -7.709 1.00 0.60 C ATOM 217 CG ASP A 15 15.657 2.638 -7.982 1.00 0.70 C ATOM 218 OD1 ASP A 15 16.656 3.301 -7.754 1.00 1.26 O ATOM 219 OD2 ASP A 15 15.679 1.498 -8.415 1.00 1.36 O ATOM 0 H ASP A 15 15.423 2.356 -4.894 1.00 0.51 H new ATOM 0 HA ASP A 15 13.256 3.910 -5.930 1.00 0.47 H new ATOM 0 HB2 ASP A 15 13.530 2.807 -8.328 1.00 0.60 H new ATOM 0 HB3 ASP A 15 14.316 4.333 -7.976 1.00 0.60 H new ATOM 224 N GLY A 16 12.277 1.441 -6.784 1.00 0.38 N ATOM 225 CA GLY A 16 11.588 0.130 -6.617 1.00 0.38 C ATOM 226 C GLY A 16 10.928 -0.273 -7.937 1.00 0.30 C ATOM 227 O GLY A 16 11.138 0.346 -8.961 1.00 0.29 O ATOM 0 H GLY A 16 11.907 2.034 -7.527 1.00 0.38 H new ATOM 0 HA2 GLY A 16 12.304 -0.632 -6.309 1.00 0.38 H new ATOM 0 HA3 GLY A 16 10.838 0.200 -5.830 1.00 0.38 H new ATOM 231 N THR A 17 10.132 -1.306 -7.921 1.00 0.27 N ATOM 232 CA THR A 17 9.460 -1.748 -9.176 1.00 0.24 C ATOM 233 C THR A 17 8.116 -2.395 -8.834 1.00 0.23 C ATOM 234 O THR A 17 8.040 -3.306 -8.033 1.00 0.31 O ATOM 235 CB THR A 17 10.346 -2.765 -9.899 1.00 0.31 C ATOM 236 OG1 THR A 17 11.571 -2.145 -10.266 1.00 0.44 O ATOM 237 CG2 THR A 17 9.630 -3.268 -11.153 1.00 0.53 C ATOM 0 H THR A 17 9.918 -1.863 -7.094 1.00 0.27 H new ATOM 0 HA THR A 17 9.295 -0.886 -9.822 1.00 0.24 H new ATOM 0 HB THR A 17 10.548 -3.608 -9.238 1.00 0.31 H new ATOM 0 HG1 THR A 17 12.141 -2.795 -10.728 1.00 0.44 H new ATOM 0 HG21 THR A 17 10.262 -3.992 -11.667 1.00 0.53 H new ATOM 0 HG22 THR A 17 8.691 -3.743 -10.870 1.00 0.53 H new ATOM 0 HG23 THR A 17 9.426 -2.428 -11.817 1.00 0.53 H new ATOM 245 N VAL A 18 7.054 -1.931 -9.434 1.00 0.24 N ATOM 246 CA VAL A 18 5.717 -2.520 -9.142 1.00 0.24 C ATOM 247 C VAL A 18 5.804 -4.045 -9.219 1.00 0.23 C ATOM 248 O VAL A 18 6.706 -4.596 -9.818 1.00 0.26 O ATOM 249 CB VAL A 18 4.702 -2.015 -10.169 1.00 0.26 C ATOM 250 CG1 VAL A 18 3.304 -2.510 -9.793 1.00 0.28 C ATOM 251 CG2 VAL A 18 4.712 -0.485 -10.184 1.00 0.31 C ATOM 0 H VAL A 18 7.055 -1.170 -10.113 1.00 0.24 H new ATOM 0 HA VAL A 18 5.400 -2.224 -8.142 1.00 0.24 H new ATOM 0 HB VAL A 18 4.967 -2.392 -11.157 1.00 0.26 H new ATOM 0 HG11 VAL A 18 2.581 -2.150 -10.525 1.00 0.28 H new ATOM 0 HG12 VAL A 18 3.295 -3.600 -9.780 1.00 0.28 H new ATOM 0 HG13 VAL A 18 3.038 -2.133 -8.805 1.00 0.28 H new ATOM 0 HG21 VAL A 18 3.989 -0.124 -10.915 1.00 0.31 H new ATOM 0 HG22 VAL A 18 4.447 -0.110 -9.196 1.00 0.31 H new ATOM 0 HG23 VAL A 18 5.707 -0.130 -10.452 1.00 0.31 H new ATOM 261 N ALA A 19 4.872 -4.733 -8.617 1.00 0.26 N ATOM 262 CA ALA A 19 4.903 -6.222 -8.656 1.00 0.30 C ATOM 263 C ALA A 19 3.851 -6.728 -9.645 1.00 0.29 C ATOM 264 O ALA A 19 4.167 -7.161 -10.735 1.00 0.32 O ATOM 265 CB ALA A 19 4.600 -6.775 -7.262 1.00 0.34 C ATOM 0 H ALA A 19 4.091 -4.328 -8.100 1.00 0.26 H new ATOM 0 HA ALA A 19 5.891 -6.557 -8.973 1.00 0.30 H new ATOM 0 HB1 ALA A 19 4.623 -7.864 -7.290 1.00 0.34 H new ATOM 0 HB2 ALA A 19 5.349 -6.415 -6.557 1.00 0.34 H new ATOM 0 HB3 ALA A 19 3.612 -6.441 -6.945 1.00 0.34 H new ATOM 271 N THR A 20 2.601 -6.676 -9.273 1.00 0.27 N ATOM 272 CA THR A 20 1.530 -7.154 -10.192 1.00 0.28 C ATOM 273 C THR A 20 0.188 -6.552 -9.769 1.00 0.27 C ATOM 274 O THR A 20 -0.171 -6.569 -8.608 1.00 0.28 O ATOM 275 CB THR A 20 1.447 -8.681 -10.127 1.00 0.33 C ATOM 276 OG1 THR A 20 2.578 -9.243 -10.779 1.00 0.36 O ATOM 277 CG2 THR A 20 0.169 -9.156 -10.820 1.00 0.35 C ATOM 0 H THR A 20 2.276 -6.323 -8.373 1.00 0.27 H new ATOM 0 HA THR A 20 1.761 -6.845 -11.211 1.00 0.28 H new ATOM 0 HB THR A 20 1.431 -9.000 -9.085 1.00 0.33 H new ATOM 0 HG1 THR A 20 3.111 -8.528 -11.185 1.00 0.36 H new ATOM 0 HG21 THR A 20 0.112 -10.243 -10.773 1.00 0.35 H new ATOM 0 HG22 THR A 20 -0.698 -8.725 -10.319 1.00 0.35 H new ATOM 0 HG23 THR A 20 0.181 -8.839 -11.863 1.00 0.35 H new ATOM 285 N TRP A 21 -0.555 -6.020 -10.700 1.00 0.26 N ATOM 286 CA TRP A 21 -1.865 -5.419 -10.358 1.00 0.26 C ATOM 287 C TRP A 21 -2.958 -6.486 -10.452 1.00 0.28 C ATOM 288 O TRP A 21 -3.653 -6.589 -11.443 1.00 0.31 O ATOM 289 CB TRP A 21 -2.159 -4.295 -11.346 1.00 0.26 C ATOM 290 CG TRP A 21 -1.629 -3.006 -10.809 1.00 0.25 C ATOM 291 CD1 TRP A 21 -0.465 -2.423 -11.183 1.00 0.24 C ATOM 292 CD2 TRP A 21 -2.220 -2.129 -9.809 1.00 0.27 C ATOM 293 NE1 TRP A 21 -0.309 -1.246 -10.472 1.00 0.25 N ATOM 294 CE2 TRP A 21 -1.362 -1.024 -9.617 1.00 0.27 C ATOM 295 CE3 TRP A 21 -3.406 -2.186 -9.058 1.00 0.30 C ATOM 296 CZ2 TRP A 21 -1.663 -0.012 -8.715 1.00 0.31 C ATOM 297 CZ3 TRP A 21 -3.717 -1.165 -8.144 1.00 0.33 C ATOM 298 CH2 TRP A 21 -2.845 -0.078 -7.973 1.00 0.34 C ATOM 0 H TRP A 21 -0.305 -5.978 -11.688 1.00 0.26 H new ATOM 0 HA TRP A 21 -1.841 -5.024 -9.342 1.00 0.26 H new ATOM 0 HB2 TRP A 21 -1.700 -4.515 -12.310 1.00 0.26 H new ATOM 0 HB3 TRP A 21 -3.233 -4.217 -11.514 1.00 0.26 H new ATOM 0 HD1 TRP A 21 0.227 -2.812 -11.915 1.00 0.24 H new ATOM 0 HE1 TRP A 21 0.490 -0.620 -10.570 1.00 0.25 H new ATOM 0 HE3 TRP A 21 -4.082 -3.019 -9.184 1.00 0.30 H new ATOM 0 HZ2 TRP A 21 -0.988 0.821 -8.588 1.00 0.31 H new ATOM 0 HZ3 TRP A 21 -4.631 -1.217 -7.571 1.00 0.33 H new ATOM 0 HH2 TRP A 21 -3.087 0.705 -7.270 1.00 0.34 H new ATOM 309 N HIS A 22 -3.111 -7.283 -9.430 1.00 0.30 N ATOM 310 CA HIS A 22 -4.160 -8.348 -9.463 1.00 0.33 C ATOM 311 C HIS A 22 -5.439 -7.787 -10.087 1.00 0.35 C ATOM 312 O HIS A 22 -5.912 -8.270 -11.097 1.00 0.40 O ATOM 313 CB HIS A 22 -4.462 -8.830 -8.040 1.00 0.36 C ATOM 314 CG HIS A 22 -3.231 -8.689 -7.193 1.00 0.36 C ATOM 315 ND1 HIS A 22 -2.809 -7.462 -6.713 1.00 0.35 N ATOM 316 CD2 HIS A 22 -2.305 -9.603 -6.755 1.00 0.38 C ATOM 317 CE1 HIS A 22 -1.673 -7.664 -6.028 1.00 0.37 C ATOM 318 NE2 HIS A 22 -1.320 -8.952 -6.018 1.00 0.38 N ATOM 0 H HIS A 22 -2.557 -7.245 -8.574 1.00 0.30 H new ATOM 0 HA HIS A 22 -3.797 -9.186 -10.058 1.00 0.33 H new ATOM 0 HB2 HIS A 22 -5.279 -8.248 -7.613 1.00 0.36 H new ATOM 0 HB3 HIS A 22 -4.787 -9.870 -8.058 1.00 0.36 H new ATOM 0 HD2 HIS A 22 -2.336 -10.664 -6.952 1.00 0.38 H new ATOM 0 HE1 HIS A 22 -1.112 -6.879 -5.543 1.00 0.37 H new ATOM 0 HE2 HIS A 22 -0.505 -9.368 -5.568 1.00 0.38 H new ATOM 326 N LYS A 23 -6.003 -6.771 -9.495 1.00 0.34 N ATOM 327 CA LYS A 23 -7.252 -6.181 -10.055 1.00 0.37 C ATOM 328 C LYS A 23 -6.921 -4.878 -10.784 1.00 0.31 C ATOM 329 O LYS A 23 -5.771 -4.521 -10.948 1.00 0.39 O ATOM 330 CB LYS A 23 -8.235 -5.894 -8.917 1.00 0.45 C ATOM 331 CG LYS A 23 -8.994 -7.174 -8.562 1.00 0.84 C ATOM 332 CD LYS A 23 -9.810 -6.948 -7.288 1.00 1.16 C ATOM 333 CE LYS A 23 -10.484 -8.257 -6.874 1.00 1.40 C ATOM 334 NZ LYS A 23 -11.647 -8.522 -7.767 1.00 2.37 N ATOM 0 H LYS A 23 -5.653 -6.323 -8.648 1.00 0.34 H new ATOM 0 HA LYS A 23 -7.702 -6.884 -10.756 1.00 0.37 H new ATOM 0 HB2 LYS A 23 -7.698 -5.523 -8.044 1.00 0.45 H new ATOM 0 HB3 LYS A 23 -8.936 -5.114 -9.216 1.00 0.45 H new ATOM 0 HG2 LYS A 23 -9.653 -7.458 -9.383 1.00 0.84 H new ATOM 0 HG3 LYS A 23 -8.293 -7.996 -8.417 1.00 0.84 H new ATOM 0 HD2 LYS A 23 -9.162 -6.591 -6.487 1.00 1.16 H new ATOM 0 HD3 LYS A 23 -10.562 -6.177 -7.457 1.00 1.16 H new ATOM 0 HE2 LYS A 23 -9.772 -9.080 -6.933 1.00 1.40 H new ATOM 0 HE3 LYS A 23 -10.815 -8.196 -5.837 1.00 1.40 H new ATOM 0 HZ1 LYS A 23 -12.155 -9.366 -7.434 1.00 2.37 H new ATOM 0 HZ2 LYS A 23 -12.288 -7.704 -7.754 1.00 2.37 H new ATOM 0 HZ3 LYS A 23 -11.310 -8.682 -8.738 1.00 2.37 H new ATOM 348 N LYS A 24 -7.921 -4.165 -11.225 1.00 0.31 N ATOM 349 CA LYS A 24 -7.665 -2.885 -11.945 1.00 0.29 C ATOM 350 C LYS A 24 -8.497 -1.768 -11.311 1.00 0.33 C ATOM 351 O LYS A 24 -9.369 -2.025 -10.504 1.00 0.37 O ATOM 352 CB LYS A 24 -8.058 -3.041 -13.415 1.00 0.29 C ATOM 353 CG LYS A 24 -6.795 -3.157 -14.272 1.00 0.99 C ATOM 354 CD LYS A 24 -7.188 -3.322 -15.741 1.00 1.37 C ATOM 355 CE LYS A 24 -6.284 -4.368 -16.397 1.00 1.83 C ATOM 356 NZ LYS A 24 -7.124 -5.437 -17.009 1.00 2.48 N ATOM 0 H LYS A 24 -8.904 -4.413 -11.118 1.00 0.31 H new ATOM 0 HA LYS A 24 -6.607 -2.634 -11.876 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -8.680 -3.927 -13.544 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -8.651 -2.185 -13.737 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -6.176 -2.269 -14.148 1.00 0.99 H new ATOM 0 HG3 LYS A 24 -6.199 -4.009 -13.946 1.00 0.99 H new ATOM 0 HD2 LYS A 24 -8.231 -3.628 -15.817 1.00 1.37 H new ATOM 0 HD3 LYS A 24 -7.097 -2.369 -16.262 1.00 1.37 H new ATOM 0 HE2 LYS A 24 -5.661 -3.899 -17.159 1.00 1.83 H new ATOM 0 HE3 LYS A 24 -5.611 -4.799 -15.656 1.00 1.83 H new ATOM 0 HZ1 LYS A 24 -6.510 -6.148 -17.455 1.00 2.48 H new ATOM 0 HZ2 LYS A 24 -7.700 -5.891 -16.272 1.00 2.48 H new ATOM 0 HZ3 LYS A 24 -7.748 -5.019 -17.728 1.00 2.48 H new ATOM 370 N PRO A 25 -8.197 -0.559 -11.702 1.00 0.37 N ATOM 371 CA PRO A 25 -8.895 0.638 -11.200 1.00 0.45 C ATOM 372 C PRO A 25 -10.267 0.776 -11.865 1.00 0.47 C ATOM 373 O PRO A 25 -10.377 0.861 -13.072 1.00 0.59 O ATOM 374 CB PRO A 25 -7.970 1.789 -11.607 1.00 0.51 C ATOM 375 CG PRO A 25 -7.113 1.262 -12.783 1.00 0.46 C ATOM 376 CD PRO A 25 -7.133 -0.274 -12.685 1.00 0.38 C ATOM 0 HA PRO A 25 -9.082 0.608 -10.127 1.00 0.45 H new ATOM 0 HB2 PRO A 25 -8.547 2.664 -11.908 1.00 0.51 H new ATOM 0 HB3 PRO A 25 -7.339 2.095 -10.772 1.00 0.51 H new ATOM 0 HG2 PRO A 25 -7.519 1.595 -13.738 1.00 0.46 H new ATOM 0 HG3 PRO A 25 -6.093 1.641 -12.720 1.00 0.46 H new ATOM 0 HD2 PRO A 25 -7.349 -0.732 -13.650 1.00 0.38 H new ATOM 0 HD3 PRO A 25 -6.170 -0.665 -12.355 1.00 0.38 H new ATOM 384 N GLY A 26 -11.315 0.797 -11.087 1.00 0.52 N ATOM 385 CA GLY A 26 -12.678 0.929 -11.674 1.00 0.55 C ATOM 386 C GLY A 26 -13.523 -0.284 -11.280 1.00 0.52 C ATOM 387 O GLY A 26 -14.590 -0.509 -11.815 1.00 0.64 O ATOM 0 H GLY A 26 -11.286 0.728 -10.070 1.00 0.52 H new ATOM 0 HA2 GLY A 26 -13.151 1.845 -11.320 1.00 0.55 H new ATOM 0 HA3 GLY A 26 -12.612 1.003 -12.760 1.00 0.55 H new ATOM 391 N GLU A 27 -13.054 -1.067 -10.347 1.00 0.50 N ATOM 392 CA GLU A 27 -13.831 -2.265 -9.920 1.00 0.48 C ATOM 393 C GLU A 27 -14.216 -2.123 -8.446 1.00 0.50 C ATOM 394 O GLU A 27 -13.815 -1.193 -7.776 1.00 0.56 O ATOM 395 CB GLU A 27 -12.977 -3.520 -10.106 1.00 0.48 C ATOM 396 CG GLU A 27 -12.530 -3.623 -11.566 1.00 1.31 C ATOM 397 CD GLU A 27 -13.205 -4.828 -12.223 1.00 2.29 C ATOM 398 OE1 GLU A 27 -14.123 -5.367 -11.626 1.00 2.98 O ATOM 399 OE2 GLU A 27 -12.793 -5.192 -13.312 1.00 2.80 O ATOM 0 H GLU A 27 -12.167 -0.929 -9.862 1.00 0.50 H new ATOM 0 HA GLU A 27 -14.734 -2.348 -10.525 1.00 0.48 H new ATOM 0 HB2 GLU A 27 -12.107 -3.481 -9.450 1.00 0.48 H new ATOM 0 HB3 GLU A 27 -13.548 -4.406 -9.826 1.00 0.48 H new ATOM 0 HG2 GLU A 27 -12.790 -2.710 -12.102 1.00 1.31 H new ATOM 0 HG3 GLU A 27 -11.446 -3.726 -11.619 1.00 1.31 H new ATOM 406 N ALA A 28 -14.992 -3.040 -7.935 1.00 0.53 N ATOM 407 CA ALA A 28 -15.402 -2.958 -6.505 1.00 0.60 C ATOM 408 C ALA A 28 -14.331 -3.612 -5.630 1.00 0.53 C ATOM 409 O ALA A 28 -13.841 -4.682 -5.928 1.00 0.62 O ATOM 410 CB ALA A 28 -16.733 -3.687 -6.313 1.00 0.74 C ATOM 0 H ALA A 28 -15.360 -3.842 -8.446 1.00 0.53 H new ATOM 0 HA ALA A 28 -15.517 -1.912 -6.219 1.00 0.60 H new ATOM 0 HB1 ALA A 28 -17.033 -3.627 -5.267 1.00 0.74 H new ATOM 0 HB2 ALA A 28 -17.496 -3.221 -6.937 1.00 0.74 H new ATOM 0 HB3 ALA A 28 -16.620 -4.733 -6.599 1.00 0.74 H new ATOM 416 N VAL A 29 -13.965 -2.977 -4.550 1.00 0.53 N ATOM 417 CA VAL A 29 -12.926 -3.563 -3.657 1.00 0.56 C ATOM 418 C VAL A 29 -13.561 -3.947 -2.319 1.00 0.59 C ATOM 419 O VAL A 29 -14.678 -3.571 -2.020 1.00 0.78 O ATOM 420 CB VAL A 29 -11.818 -2.536 -3.420 1.00 0.73 C ATOM 421 CG1 VAL A 29 -10.536 -3.256 -3.000 1.00 1.36 C ATOM 422 CG2 VAL A 29 -11.564 -1.755 -4.711 1.00 1.33 C ATOM 0 H VAL A 29 -14.341 -2.078 -4.248 1.00 0.53 H new ATOM 0 HA VAL A 29 -12.503 -4.451 -4.126 1.00 0.56 H new ATOM 0 HB VAL A 29 -12.123 -1.848 -2.632 1.00 0.73 H new ATOM 0 HG11 VAL A 29 -9.746 -2.524 -2.831 1.00 1.36 H new ATOM 0 HG12 VAL A 29 -10.716 -3.814 -2.081 1.00 1.36 H new ATOM 0 HG13 VAL A 29 -10.230 -3.944 -3.788 1.00 1.36 H new ATOM 0 HG21 VAL A 29 -10.774 -1.022 -4.544 1.00 1.33 H new ATOM 0 HG22 VAL A 29 -11.259 -2.444 -5.499 1.00 1.33 H new ATOM 0 HG23 VAL A 29 -12.477 -1.242 -5.011 1.00 1.33 H new ATOM 432 N LYS A 30 -12.858 -4.691 -1.510 1.00 0.57 N ATOM 433 CA LYS A 30 -13.422 -5.098 -0.192 1.00 0.67 C ATOM 434 C LYS A 30 -12.333 -5.004 0.879 1.00 0.60 C ATOM 435 O LYS A 30 -11.259 -5.553 0.734 1.00 0.55 O ATOM 436 CB LYS A 30 -13.931 -6.538 -0.277 1.00 0.83 C ATOM 437 CG LYS A 30 -15.318 -6.628 0.362 1.00 1.39 C ATOM 438 CD LYS A 30 -15.912 -8.014 0.100 1.00 1.94 C ATOM 439 CE LYS A 30 -17.278 -8.121 0.781 1.00 2.60 C ATOM 440 NZ LYS A 30 -18.170 -8.996 -0.031 1.00 3.34 N ATOM 0 H LYS A 30 -11.918 -5.035 -1.705 1.00 0.57 H new ATOM 0 HA LYS A 30 -14.248 -4.436 0.070 1.00 0.67 H new ATOM 0 HB2 LYS A 30 -13.977 -6.858 -1.318 1.00 0.83 H new ATOM 0 HB3 LYS A 30 -13.240 -7.210 0.232 1.00 0.83 H new ATOM 0 HG2 LYS A 30 -15.248 -6.447 1.435 1.00 1.39 H new ATOM 0 HG3 LYS A 30 -15.970 -5.858 -0.049 1.00 1.39 H new ATOM 0 HD2 LYS A 30 -16.014 -8.181 -0.972 1.00 1.94 H new ATOM 0 HD3 LYS A 30 -15.243 -8.786 0.480 1.00 1.94 H new ATOM 0 HE2 LYS A 30 -17.165 -8.530 1.785 1.00 2.60 H new ATOM 0 HE3 LYS A 30 -17.721 -7.131 0.888 1.00 2.60 H new ATOM 0 HZ1 LYS A 30 -19.099 -9.069 0.431 1.00 3.34 H new ATOM 0 HZ2 LYS A 30 -18.287 -8.587 -0.980 1.00 3.34 H new ATOM 0 HZ3 LYS A 30 -17.748 -9.943 -0.112 1.00 3.34 H new ATOM 454 N ARG A 31 -12.601 -4.309 1.951 1.00 0.73 N ATOM 455 CA ARG A 31 -11.584 -4.176 3.030 1.00 0.78 C ATOM 456 C ARG A 31 -10.890 -5.522 3.249 1.00 0.69 C ATOM 457 O ARG A 31 -11.504 -6.568 3.176 1.00 0.71 O ATOM 458 CB ARG A 31 -12.270 -3.740 4.327 1.00 0.97 C ATOM 459 CG ARG A 31 -11.210 -3.383 5.370 1.00 1.54 C ATOM 460 CD ARG A 31 -11.244 -4.410 6.504 1.00 2.08 C ATOM 461 NE ARG A 31 -11.568 -3.723 7.786 1.00 2.38 N ATOM 462 CZ ARG A 31 -12.407 -4.269 8.624 1.00 2.84 C ATOM 463 NH1 ARG A 31 -13.545 -4.740 8.195 1.00 3.37 N ATOM 464 NH2 ARG A 31 -12.106 -4.344 9.892 1.00 3.37 N ATOM 0 H ARG A 31 -13.483 -3.827 2.125 1.00 0.73 H new ATOM 0 HA ARG A 31 -10.845 -3.430 2.740 1.00 0.78 H new ATOM 0 HB2 ARG A 31 -12.914 -2.881 4.139 1.00 0.97 H new ATOM 0 HB3 ARG A 31 -12.908 -4.541 4.701 1.00 0.97 H new ATOM 0 HG2 ARG A 31 -10.222 -3.367 4.909 1.00 1.54 H new ATOM 0 HG3 ARG A 31 -11.394 -2.384 5.764 1.00 1.54 H new ATOM 0 HD2 ARG A 31 -11.988 -5.177 6.292 1.00 2.08 H new ATOM 0 HD3 ARG A 31 -10.280 -4.914 6.582 1.00 2.08 H new ATOM 0 HE ARG A 31 -11.135 -2.827 8.009 1.00 2.38 H new ATOM 0 HH11 ARG A 31 -13.780 -4.682 7.204 1.00 3.37 H new ATOM 0 HH12 ARG A 31 -14.200 -5.166 8.850 1.00 3.37 H new ATOM 0 HH21 ARG A 31 -11.216 -3.976 10.227 1.00 3.37 H new ATOM 0 HH22 ARG A 31 -12.761 -4.770 10.547 1.00 3.37 H new ATOM 478 N ASP A 32 -9.613 -5.504 3.519 1.00 0.72 N ATOM 479 CA ASP A 32 -8.880 -6.782 3.742 1.00 0.76 C ATOM 480 C ASP A 32 -8.765 -7.542 2.419 1.00 0.67 C ATOM 481 O ASP A 32 -8.861 -8.752 2.376 1.00 0.74 O ATOM 482 CB ASP A 32 -9.644 -7.637 4.756 1.00 0.84 C ATOM 483 CG ASP A 32 -8.715 -8.716 5.317 1.00 1.06 C ATOM 484 OD1 ASP A 32 -8.335 -9.594 4.561 1.00 1.51 O ATOM 485 OD2 ASP A 32 -8.400 -8.645 6.493 1.00 1.63 O ATOM 0 H ASP A 32 -9.046 -4.659 3.595 1.00 0.72 H new ATOM 0 HA ASP A 32 -7.883 -6.567 4.125 1.00 0.76 H new ATOM 0 HB2 ASP A 32 -10.021 -7.011 5.564 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -10.509 -8.099 4.280 1.00 0.84 H new ATOM 490 N GLU A 33 -8.559 -6.840 1.338 1.00 0.58 N ATOM 491 CA GLU A 33 -8.437 -7.522 0.019 1.00 0.55 C ATOM 492 C GLU A 33 -7.228 -6.963 -0.734 1.00 0.50 C ATOM 493 O GLU A 33 -7.207 -5.812 -1.124 1.00 0.49 O ATOM 494 CB GLU A 33 -9.706 -7.278 -0.800 1.00 0.54 C ATOM 495 CG GLU A 33 -9.688 -8.164 -2.048 1.00 0.72 C ATOM 496 CD GLU A 33 -11.122 -8.530 -2.435 1.00 1.30 C ATOM 497 OE1 GLU A 33 -11.967 -8.546 -1.555 1.00 2.01 O ATOM 498 OE2 GLU A 33 -11.351 -8.789 -3.605 1.00 1.92 O ATOM 0 H GLU A 33 -8.470 -5.824 1.312 1.00 0.58 H new ATOM 0 HA GLU A 33 -8.305 -8.593 0.174 1.00 0.55 H new ATOM 0 HB2 GLU A 33 -10.588 -7.498 -0.198 1.00 0.54 H new ATOM 0 HB3 GLU A 33 -9.770 -6.228 -1.087 1.00 0.54 H new ATOM 0 HG2 GLU A 33 -9.200 -7.641 -2.871 1.00 0.72 H new ATOM 0 HG3 GLU A 33 -9.110 -9.068 -1.857 1.00 0.72 H new ATOM 505 N LEU A 34 -6.220 -7.768 -0.937 1.00 0.49 N ATOM 506 CA LEU A 34 -5.012 -7.286 -1.661 1.00 0.47 C ATOM 507 C LEU A 34 -5.434 -6.400 -2.835 1.00 0.45 C ATOM 508 O LEU A 34 -6.553 -6.467 -3.305 1.00 0.50 O ATOM 509 CB LEU A 34 -4.220 -8.485 -2.187 1.00 0.49 C ATOM 510 CG LEU A 34 -2.965 -7.992 -2.909 1.00 0.52 C ATOM 511 CD1 LEU A 34 -2.053 -7.273 -1.913 1.00 0.59 C ATOM 512 CD2 LEU A 34 -2.221 -9.187 -3.509 1.00 0.57 C ATOM 0 H LEU A 34 -6.182 -8.740 -0.631 1.00 0.49 H new ATOM 0 HA LEU A 34 -4.389 -6.708 -0.978 1.00 0.47 H new ATOM 0 HB2 LEU A 34 -3.943 -9.141 -1.362 1.00 0.49 H new ATOM 0 HB3 LEU A 34 -4.837 -9.071 -2.868 1.00 0.49 H new ATOM 0 HG LEU A 34 -3.250 -7.303 -3.704 1.00 0.52 H new ATOM 0 HD11 LEU A 34 -1.158 -6.921 -2.427 1.00 0.59 H new ATOM 0 HD12 LEU A 34 -2.582 -6.423 -1.483 1.00 0.59 H new ATOM 0 HD13 LEU A 34 -1.768 -7.962 -1.118 1.00 0.59 H new ATOM 0 HD21 LEU A 34 -1.326 -8.837 -4.024 1.00 0.57 H new ATOM 0 HD22 LEU A 34 -1.936 -9.875 -2.713 1.00 0.57 H new ATOM 0 HD23 LEU A 34 -2.870 -9.701 -4.218 1.00 0.57 H new ATOM 524 N ILE A 35 -4.549 -5.569 -3.313 1.00 0.42 N ATOM 525 CA ILE A 35 -4.901 -4.680 -4.455 1.00 0.42 C ATOM 526 C ILE A 35 -3.705 -4.568 -5.403 1.00 0.38 C ATOM 527 O ILE A 35 -3.852 -4.599 -6.609 1.00 0.37 O ATOM 528 CB ILE A 35 -5.265 -3.292 -3.928 1.00 0.47 C ATOM 529 CG1 ILE A 35 -6.602 -3.363 -3.186 1.00 0.59 C ATOM 530 CG2 ILE A 35 -5.386 -2.315 -5.099 1.00 0.56 C ATOM 531 CD1 ILE A 35 -7.108 -1.947 -2.906 1.00 1.31 C ATOM 0 H ILE A 35 -3.597 -5.467 -2.962 1.00 0.42 H new ATOM 0 HA ILE A 35 -5.752 -5.099 -4.992 1.00 0.42 H new ATOM 0 HB ILE A 35 -4.487 -2.948 -3.247 1.00 0.47 H new ATOM 0 HG12 ILE A 35 -7.332 -3.910 -3.783 1.00 0.59 H new ATOM 0 HG13 ILE A 35 -6.482 -3.909 -2.250 1.00 0.59 H new ATOM 0 HG21 ILE A 35 -5.646 -1.326 -4.722 1.00 0.56 H new ATOM 0 HG22 ILE A 35 -4.435 -2.263 -5.629 1.00 0.56 H new ATOM 0 HG23 ILE A 35 -6.164 -2.659 -5.781 1.00 0.56 H new ATOM 0 HD11 ILE A 35 -8.060 -1.999 -2.378 1.00 1.31 H new ATOM 0 HD12 ILE A 35 -6.381 -1.415 -2.292 1.00 1.31 H new ATOM 0 HD13 ILE A 35 -7.244 -1.416 -3.848 1.00 1.31 H new ATOM 543 N VAL A 36 -2.522 -4.437 -4.868 1.00 0.39 N ATOM 544 CA VAL A 36 -1.320 -4.323 -5.740 1.00 0.37 C ATOM 545 C VAL A 36 -0.073 -4.715 -4.944 1.00 0.35 C ATOM 546 O VAL A 36 0.110 -4.303 -3.816 1.00 0.38 O ATOM 547 CB VAL A 36 -1.180 -2.881 -6.229 1.00 0.39 C ATOM 548 CG1 VAL A 36 -1.001 -1.949 -5.029 1.00 0.45 C ATOM 549 CG2 VAL A 36 0.041 -2.770 -7.145 1.00 0.39 C ATOM 0 H VAL A 36 -2.336 -4.404 -3.866 1.00 0.39 H new ATOM 0 HA VAL A 36 -1.428 -4.988 -6.597 1.00 0.37 H new ATOM 0 HB VAL A 36 -2.077 -2.596 -6.780 1.00 0.39 H new ATOM 0 HG11 VAL A 36 -0.901 -0.921 -5.378 1.00 0.45 H new ATOM 0 HG12 VAL A 36 -1.869 -2.027 -4.375 1.00 0.45 H new ATOM 0 HG13 VAL A 36 -0.105 -2.234 -4.478 1.00 0.45 H new ATOM 0 HG21 VAL A 36 0.142 -1.742 -7.494 1.00 0.39 H new ATOM 0 HG22 VAL A 36 0.937 -3.055 -6.593 1.00 0.39 H new ATOM 0 HG23 VAL A 36 -0.085 -3.433 -8.001 1.00 0.39 H new ATOM 559 N ASP A 37 0.787 -5.508 -5.523 1.00 0.35 N ATOM 560 CA ASP A 37 2.021 -5.925 -4.799 1.00 0.35 C ATOM 561 C ASP A 37 3.176 -4.999 -5.185 1.00 0.33 C ATOM 562 O ASP A 37 3.158 -4.368 -6.223 1.00 0.38 O ATOM 563 CB ASP A 37 2.372 -7.365 -5.177 1.00 0.36 C ATOM 564 CG ASP A 37 1.628 -8.332 -4.255 1.00 0.41 C ATOM 565 OD1 ASP A 37 1.604 -8.081 -3.062 1.00 1.11 O ATOM 566 OD2 ASP A 37 1.094 -9.307 -4.759 1.00 1.11 O ATOM 0 H ASP A 37 0.688 -5.885 -6.466 1.00 0.35 H new ATOM 0 HA ASP A 37 1.850 -5.864 -3.724 1.00 0.35 H new ATOM 0 HB2 ASP A 37 2.101 -7.556 -6.216 1.00 0.36 H new ATOM 0 HB3 ASP A 37 3.447 -7.522 -5.094 1.00 0.36 H new ATOM 571 N ILE A 38 4.183 -4.914 -4.359 1.00 0.32 N ATOM 572 CA ILE A 38 5.338 -4.029 -4.680 1.00 0.32 C ATOM 573 C ILE A 38 6.627 -4.853 -4.678 1.00 0.33 C ATOM 574 O ILE A 38 6.747 -5.834 -3.971 1.00 0.40 O ATOM 575 CB ILE A 38 5.439 -2.922 -3.630 1.00 0.41 C ATOM 576 CG1 ILE A 38 4.189 -2.040 -3.698 1.00 1.02 C ATOM 577 CG2 ILE A 38 6.678 -2.068 -3.906 1.00 0.98 C ATOM 578 CD1 ILE A 38 4.250 -0.982 -2.595 1.00 1.37 C ATOM 0 H ILE A 38 4.256 -5.419 -3.476 1.00 0.32 H new ATOM 0 HA ILE A 38 5.193 -3.584 -5.664 1.00 0.32 H new ATOM 0 HB ILE A 38 5.518 -3.368 -2.639 1.00 0.41 H new ATOM 0 HG12 ILE A 38 4.123 -1.559 -4.674 1.00 1.02 H new ATOM 0 HG13 ILE A 38 3.294 -2.650 -3.582 1.00 1.02 H new ATOM 0 HG21 ILE A 38 6.750 -1.279 -3.158 1.00 0.98 H new ATOM 0 HG22 ILE A 38 7.569 -2.694 -3.860 1.00 0.98 H new ATOM 0 HG23 ILE A 38 6.599 -1.622 -4.897 1.00 0.98 H new ATOM 0 HD11 ILE A 38 3.360 -0.354 -2.643 1.00 1.37 H new ATOM 0 HD12 ILE A 38 4.296 -1.472 -1.623 1.00 1.37 H new ATOM 0 HD13 ILE A 38 5.138 -0.364 -2.732 1.00 1.37 H new ATOM 590 N GLU A 39 7.592 -4.463 -5.465 1.00 0.35 N ATOM 591 CA GLU A 39 8.872 -5.225 -5.508 1.00 0.46 C ATOM 592 C GLU A 39 10.026 -4.307 -5.097 1.00 0.59 C ATOM 593 O GLU A 39 10.078 -3.153 -5.475 1.00 0.82 O ATOM 594 CB GLU A 39 9.112 -5.741 -6.928 1.00 0.62 C ATOM 595 CG GLU A 39 9.334 -7.254 -6.891 1.00 1.10 C ATOM 596 CD GLU A 39 9.997 -7.705 -8.194 1.00 1.41 C ATOM 597 OE1 GLU A 39 10.206 -6.863 -9.051 1.00 1.89 O ATOM 598 OE2 GLU A 39 10.285 -8.885 -8.311 1.00 2.08 O ATOM 0 H GLU A 39 7.550 -3.650 -6.080 1.00 0.35 H new ATOM 0 HA GLU A 39 8.815 -6.069 -4.820 1.00 0.46 H new ATOM 0 HB2 GLU A 39 8.258 -5.504 -7.562 1.00 0.62 H new ATOM 0 HB3 GLU A 39 9.980 -5.246 -7.364 1.00 0.62 H new ATOM 0 HG2 GLU A 39 9.962 -7.519 -6.040 1.00 1.10 H new ATOM 0 HG3 GLU A 39 8.382 -7.769 -6.758 1.00 1.10 H new ATOM 605 N THR A 40 10.951 -4.810 -4.326 1.00 0.66 N ATOM 606 CA THR A 40 12.099 -3.965 -3.893 1.00 0.85 C ATOM 607 C THR A 40 13.411 -4.664 -4.254 1.00 0.88 C ATOM 608 O THR A 40 13.417 -5.730 -4.837 1.00 0.83 O ATOM 609 CB THR A 40 12.034 -3.754 -2.378 1.00 0.97 C ATOM 610 OG1 THR A 40 10.745 -4.121 -1.906 1.00 1.53 O ATOM 611 CG2 THR A 40 12.298 -2.283 -2.054 1.00 1.73 C ATOM 0 H THR A 40 10.961 -5.769 -3.978 1.00 0.66 H new ATOM 0 HA THR A 40 12.050 -3.000 -4.397 1.00 0.85 H new ATOM 0 HB THR A 40 12.789 -4.371 -1.892 1.00 0.97 H new ATOM 0 HG1 THR A 40 10.774 -5.034 -1.552 1.00 1.53 H new ATOM 0 HG21 THR A 40 12.251 -2.134 -0.975 1.00 1.73 H new ATOM 0 HG22 THR A 40 13.287 -2.002 -2.417 1.00 1.73 H new ATOM 0 HG23 THR A 40 11.544 -1.663 -2.539 1.00 1.73 H new ATOM 619 N ASP A 41 14.523 -4.071 -3.913 1.00 1.09 N ATOM 620 CA ASP A 41 15.835 -4.697 -4.237 1.00 1.15 C ATOM 621 C ASP A 41 15.763 -6.203 -3.976 1.00 0.95 C ATOM 622 O ASP A 41 16.134 -7.005 -4.810 1.00 1.00 O ATOM 623 CB ASP A 41 16.925 -4.079 -3.359 1.00 1.40 C ATOM 624 CG ASP A 41 18.301 -4.477 -3.897 1.00 1.57 C ATOM 625 OD1 ASP A 41 18.383 -5.496 -4.563 1.00 2.01 O ATOM 626 OD2 ASP A 41 19.249 -3.756 -3.633 1.00 1.93 O ATOM 0 H ASP A 41 14.579 -3.178 -3.423 1.00 1.09 H new ATOM 0 HA ASP A 41 16.070 -4.522 -5.287 1.00 1.15 H new ATOM 0 HB2 ASP A 41 16.827 -2.993 -3.349 1.00 1.40 H new ATOM 0 HB3 ASP A 41 16.813 -4.419 -2.329 1.00 1.40 H new ATOM 631 N LYS A 42 15.287 -6.594 -2.826 1.00 0.92 N ATOM 632 CA LYS A 42 15.192 -8.047 -2.513 1.00 0.97 C ATOM 633 C LYS A 42 14.066 -8.279 -1.504 1.00 1.06 C ATOM 634 O LYS A 42 14.100 -9.211 -0.725 1.00 1.32 O ATOM 635 CB LYS A 42 16.517 -8.529 -1.918 1.00 1.13 C ATOM 636 CG LYS A 42 17.578 -8.595 -3.019 1.00 1.11 C ATOM 637 CD LYS A 42 18.686 -9.564 -2.602 1.00 1.48 C ATOM 638 CE LYS A 42 19.760 -9.610 -3.690 1.00 1.92 C ATOM 639 NZ LYS A 42 21.094 -9.828 -3.062 1.00 2.63 N ATOM 0 H LYS A 42 14.960 -5.969 -2.089 1.00 0.92 H new ATOM 0 HA LYS A 42 14.981 -8.602 -3.427 1.00 0.97 H new ATOM 0 HB2 LYS A 42 16.840 -7.852 -1.127 1.00 1.13 H new ATOM 0 HB3 LYS A 42 16.388 -9.511 -1.464 1.00 1.13 H new ATOM 0 HG2 LYS A 42 17.126 -8.923 -3.955 1.00 1.11 H new ATOM 0 HG3 LYS A 42 17.995 -7.604 -3.197 1.00 1.11 H new ATOM 0 HD2 LYS A 42 19.125 -9.246 -1.656 1.00 1.48 H new ATOM 0 HD3 LYS A 42 18.272 -10.560 -2.443 1.00 1.48 H new ATOM 0 HE2 LYS A 42 19.543 -10.411 -4.396 1.00 1.92 H new ATOM 0 HE3 LYS A 42 19.760 -8.678 -4.255 1.00 1.92 H new ATOM 0 HZ1 LYS A 42 21.825 -9.859 -3.801 1.00 2.63 H new ATOM 0 HZ2 LYS A 42 21.300 -9.049 -2.405 1.00 2.63 H new ATOM 0 HZ3 LYS A 42 21.090 -10.728 -2.541 1.00 2.63 H new ATOM 653 N VAL A 43 13.067 -7.439 -1.512 1.00 0.96 N ATOM 654 CA VAL A 43 11.940 -7.612 -0.553 1.00 1.10 C ATOM 655 C VAL A 43 10.612 -7.406 -1.284 1.00 0.91 C ATOM 656 O VAL A 43 10.429 -6.440 -1.997 1.00 0.86 O ATOM 657 CB VAL A 43 12.067 -6.586 0.574 1.00 1.35 C ATOM 658 CG1 VAL A 43 11.086 -6.933 1.695 1.00 1.61 C ATOM 659 CG2 VAL A 43 13.496 -6.608 1.124 1.00 1.58 C ATOM 0 H VAL A 43 12.983 -6.641 -2.141 1.00 0.96 H new ATOM 0 HA VAL A 43 11.971 -8.618 -0.133 1.00 1.10 H new ATOM 0 HB VAL A 43 11.840 -5.593 0.187 1.00 1.35 H new ATOM 0 HG11 VAL A 43 11.177 -6.201 2.498 1.00 1.61 H new ATOM 0 HG12 VAL A 43 10.068 -6.919 1.305 1.00 1.61 H new ATOM 0 HG13 VAL A 43 11.313 -7.926 2.082 1.00 1.61 H new ATOM 0 HG21 VAL A 43 13.588 -5.877 1.927 1.00 1.58 H new ATOM 0 HG22 VAL A 43 13.722 -7.602 1.510 1.00 1.58 H new ATOM 0 HG23 VAL A 43 14.197 -6.361 0.327 1.00 1.58 H new ATOM 669 N VAL A 44 9.684 -8.307 -1.113 1.00 0.96 N ATOM 670 CA VAL A 44 8.369 -8.161 -1.799 1.00 0.82 C ATOM 671 C VAL A 44 7.310 -7.722 -0.785 1.00 0.81 C ATOM 672 O VAL A 44 7.051 -8.401 0.189 1.00 1.07 O ATOM 673 CB VAL A 44 7.963 -9.502 -2.412 1.00 0.94 C ATOM 674 CG1 VAL A 44 6.517 -9.422 -2.905 1.00 1.51 C ATOM 675 CG2 VAL A 44 8.885 -9.823 -3.590 1.00 1.69 C ATOM 0 H VAL A 44 9.779 -9.137 -0.528 1.00 0.96 H new ATOM 0 HA VAL A 44 8.451 -7.411 -2.586 1.00 0.82 H new ATOM 0 HB VAL A 44 8.047 -10.286 -1.659 1.00 0.94 H new ATOM 0 HG11 VAL A 44 6.228 -10.378 -3.342 1.00 1.51 H new ATOM 0 HG12 VAL A 44 5.859 -9.192 -2.067 1.00 1.51 H new ATOM 0 HG13 VAL A 44 6.432 -8.639 -3.658 1.00 1.51 H new ATOM 0 HG21 VAL A 44 8.597 -10.779 -4.028 1.00 1.69 H new ATOM 0 HG22 VAL A 44 8.800 -9.039 -4.342 1.00 1.69 H new ATOM 0 HG23 VAL A 44 9.916 -9.880 -3.240 1.00 1.69 H new ATOM 685 N MET A 45 6.697 -6.592 -1.006 1.00 0.62 N ATOM 686 CA MET A 45 5.655 -6.111 -0.054 1.00 0.64 C ATOM 687 C MET A 45 4.269 -6.323 -0.667 1.00 0.60 C ATOM 688 O MET A 45 4.135 -6.830 -1.763 1.00 0.87 O ATOM 689 CB MET A 45 5.868 -4.622 0.225 1.00 0.70 C ATOM 690 CG MET A 45 7.077 -4.442 1.145 1.00 0.82 C ATOM 691 SD MET A 45 6.997 -2.816 1.935 1.00 1.35 S ATOM 692 CE MET A 45 7.762 -3.290 3.505 1.00 1.95 C ATOM 0 H MET A 45 6.872 -5.981 -1.804 1.00 0.62 H new ATOM 0 HA MET A 45 5.729 -6.669 0.879 1.00 0.64 H new ATOM 0 HB2 MET A 45 6.026 -4.085 -0.710 1.00 0.70 H new ATOM 0 HB3 MET A 45 4.978 -4.197 0.689 1.00 0.70 H new ATOM 0 HG2 MET A 45 7.091 -5.226 1.902 1.00 0.82 H new ATOM 0 HG3 MET A 45 8.000 -4.535 0.573 1.00 0.82 H new ATOM 0 HE1 MET A 45 7.815 -2.421 4.161 1.00 1.95 H new ATOM 0 HE2 MET A 45 7.164 -4.067 3.981 1.00 1.95 H new ATOM 0 HE3 MET A 45 8.768 -3.668 3.320 1.00 1.95 H new ATOM 702 N GLU A 46 3.237 -5.939 0.033 1.00 0.60 N ATOM 703 CA GLU A 46 1.861 -6.119 -0.510 1.00 0.55 C ATOM 704 C GLU A 46 1.019 -4.882 -0.188 1.00 0.53 C ATOM 705 O GLU A 46 1.198 -4.246 0.831 1.00 0.66 O ATOM 706 CB GLU A 46 1.218 -7.353 0.127 1.00 0.58 C ATOM 707 CG GLU A 46 2.245 -8.485 0.197 1.00 1.25 C ATOM 708 CD GLU A 46 1.692 -9.624 1.055 1.00 1.46 C ATOM 709 OE1 GLU A 46 1.804 -9.535 2.267 1.00 1.96 O ATOM 710 OE2 GLU A 46 1.166 -10.566 0.486 1.00 1.95 O ATOM 0 H GLU A 46 3.287 -5.509 0.957 1.00 0.60 H new ATOM 0 HA GLU A 46 1.912 -6.253 -1.591 1.00 0.55 H new ATOM 0 HB2 GLU A 46 0.857 -7.113 1.127 1.00 0.58 H new ATOM 0 HB3 GLU A 46 0.353 -7.668 -0.457 1.00 0.58 H new ATOM 0 HG2 GLU A 46 2.471 -8.848 -0.806 1.00 1.25 H new ATOM 0 HG3 GLU A 46 3.179 -8.117 0.621 1.00 1.25 H new ATOM 717 N VAL A 47 0.101 -4.538 -1.049 1.00 0.43 N ATOM 718 CA VAL A 47 -0.751 -3.343 -0.792 1.00 0.45 C ATOM 719 C VAL A 47 -2.214 -3.776 -0.680 1.00 0.44 C ATOM 720 O VAL A 47 -2.878 -4.017 -1.669 1.00 0.45 O ATOM 721 CB VAL A 47 -0.600 -2.350 -1.945 1.00 0.46 C ATOM 722 CG1 VAL A 47 -1.256 -1.021 -1.565 1.00 0.55 C ATOM 723 CG2 VAL A 47 0.887 -2.120 -2.227 1.00 0.56 C ATOM 0 H VAL A 47 -0.096 -5.033 -1.919 1.00 0.43 H new ATOM 0 HA VAL A 47 -0.439 -2.868 0.138 1.00 0.45 H new ATOM 0 HB VAL A 47 -1.083 -2.752 -2.836 1.00 0.46 H new ATOM 0 HG11 VAL A 47 -1.148 -0.314 -2.387 1.00 0.55 H new ATOM 0 HG12 VAL A 47 -2.315 -1.183 -1.362 1.00 0.55 H new ATOM 0 HG13 VAL A 47 -0.773 -0.618 -0.674 1.00 0.55 H new ATOM 0 HG21 VAL A 47 0.996 -1.412 -3.049 1.00 0.56 H new ATOM 0 HG22 VAL A 47 1.368 -1.718 -1.336 1.00 0.56 H new ATOM 0 HG23 VAL A 47 1.357 -3.066 -2.498 1.00 0.56 H new ATOM 733 N LEU A 48 -2.722 -3.879 0.518 1.00 0.46 N ATOM 734 CA LEU A 48 -4.141 -4.298 0.692 1.00 0.49 C ATOM 735 C LEU A 48 -5.025 -3.058 0.845 1.00 0.51 C ATOM 736 O LEU A 48 -4.544 -1.966 1.071 1.00 0.61 O ATOM 737 CB LEU A 48 -4.266 -5.170 1.943 1.00 0.54 C ATOM 738 CG LEU A 48 -4.930 -6.498 1.576 1.00 1.14 C ATOM 739 CD1 LEU A 48 -3.873 -7.602 1.530 1.00 1.77 C ATOM 740 CD2 LEU A 48 -5.985 -6.847 2.628 1.00 1.88 C ATOM 0 H LEU A 48 -2.216 -3.691 1.383 1.00 0.46 H new ATOM 0 HA LEU A 48 -4.461 -4.867 -0.181 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -3.281 -5.351 2.373 1.00 0.54 H new ATOM 0 HB3 LEU A 48 -4.855 -4.654 2.701 1.00 0.54 H new ATOM 0 HG LEU A 48 -5.405 -6.409 0.599 1.00 1.14 H new ATOM 0 HD11 LEU A 48 -4.346 -8.548 1.268 1.00 1.77 H new ATOM 0 HD12 LEU A 48 -3.120 -7.354 0.782 1.00 1.77 H new ATOM 0 HD13 LEU A 48 -3.398 -7.692 2.507 1.00 1.77 H new ATOM 0 HD21 LEU A 48 -6.459 -7.793 2.368 1.00 1.88 H new ATOM 0 HD22 LEU A 48 -5.509 -6.936 3.605 1.00 1.88 H new ATOM 0 HD23 LEU A 48 -6.739 -6.061 2.662 1.00 1.88 H new ATOM 752 N ALA A 49 -6.314 -3.219 0.724 1.00 0.52 N ATOM 753 CA ALA A 49 -7.227 -2.050 0.864 1.00 0.58 C ATOM 754 C ALA A 49 -7.535 -1.818 2.344 1.00 0.54 C ATOM 755 O ALA A 49 -7.705 -2.749 3.106 1.00 0.55 O ATOM 756 CB ALA A 49 -8.529 -2.327 0.109 1.00 0.67 C ATOM 0 H ALA A 49 -6.774 -4.109 0.534 1.00 0.52 H new ATOM 0 HA ALA A 49 -6.748 -1.163 0.449 1.00 0.58 H new ATOM 0 HB1 ALA A 49 -9.198 -1.472 0.211 1.00 0.67 H new ATOM 0 HB2 ALA A 49 -8.310 -2.492 -0.946 1.00 0.67 H new ATOM 0 HB3 ALA A 49 -9.008 -3.214 0.523 1.00 0.67 H new ATOM 762 N GLU A 50 -7.608 -0.583 2.759 1.00 0.67 N ATOM 763 CA GLU A 50 -7.904 -0.293 4.190 1.00 0.78 C ATOM 764 C GLU A 50 -9.400 -0.017 4.356 1.00 0.81 C ATOM 765 O GLU A 50 -9.837 0.499 5.365 1.00 0.96 O ATOM 766 CB GLU A 50 -7.106 0.933 4.638 1.00 1.03 C ATOM 767 CG GLU A 50 -6.141 0.534 5.756 1.00 1.12 C ATOM 768 CD GLU A 50 -6.601 1.159 7.075 1.00 1.47 C ATOM 769 OE1 GLU A 50 -6.830 2.357 7.091 1.00 2.01 O ATOM 770 OE2 GLU A 50 -6.715 0.429 8.045 1.00 1.98 O ATOM 0 H GLU A 50 -7.475 0.238 2.168 1.00 0.67 H new ATOM 0 HA GLU A 50 -7.623 -1.152 4.800 1.00 0.78 H new ATOM 0 HB2 GLU A 50 -6.552 1.347 3.796 1.00 1.03 H new ATOM 0 HB3 GLU A 50 -7.783 1.712 4.988 1.00 1.03 H new ATOM 0 HG2 GLU A 50 -6.104 -0.551 5.849 1.00 1.12 H new ATOM 0 HG3 GLU A 50 -5.132 0.868 5.516 1.00 1.12 H new ATOM 777 N ALA A 51 -10.188 -0.357 3.373 1.00 0.72 N ATOM 778 CA ALA A 51 -11.655 -0.114 3.476 1.00 0.82 C ATOM 779 C ALA A 51 -12.298 -0.281 2.098 1.00 0.70 C ATOM 780 O ALA A 51 -11.710 0.043 1.085 1.00 0.68 O ATOM 781 CB ALA A 51 -11.901 1.308 3.985 1.00 1.03 C ATOM 0 H ALA A 51 -9.880 -0.792 2.504 1.00 0.72 H new ATOM 0 HA ALA A 51 -12.094 -0.830 4.170 1.00 0.82 H new ATOM 0 HB1 ALA A 51 -12.974 1.487 4.061 1.00 1.03 H new ATOM 0 HB2 ALA A 51 -11.443 1.427 4.967 1.00 1.03 H new ATOM 0 HB3 ALA A 51 -11.462 2.024 3.290 1.00 1.03 H new ATOM 787 N ASP A 52 -13.501 -0.784 2.052 1.00 0.67 N ATOM 788 CA ASP A 52 -14.180 -0.970 0.739 1.00 0.60 C ATOM 789 C ASP A 52 -14.295 0.376 0.024 1.00 0.52 C ATOM 790 O ASP A 52 -14.022 1.418 0.586 1.00 0.55 O ATOM 791 CB ASP A 52 -15.576 -1.565 0.967 1.00 0.69 C ATOM 792 CG ASP A 52 -16.542 -1.091 -0.122 1.00 0.68 C ATOM 793 OD1 ASP A 52 -16.918 0.070 -0.089 1.00 1.33 O ATOM 794 OD2 ASP A 52 -16.890 -1.896 -0.970 1.00 1.18 O ATOM 0 H ASP A 52 -14.043 -1.074 2.866 1.00 0.67 H new ATOM 0 HA ASP A 52 -13.597 -1.651 0.119 1.00 0.60 H new ATOM 0 HB2 ASP A 52 -15.519 -2.654 0.963 1.00 0.69 H new ATOM 0 HB3 ASP A 52 -15.949 -1.269 1.947 1.00 0.69 H new ATOM 799 N GLY A 53 -14.699 0.357 -1.214 1.00 0.50 N ATOM 800 CA GLY A 53 -14.836 1.630 -1.977 1.00 0.52 C ATOM 801 C GLY A 53 -14.589 1.364 -3.463 1.00 0.52 C ATOM 802 O GLY A 53 -14.805 0.273 -3.952 1.00 0.66 O ATOM 0 H GLY A 53 -14.941 -0.487 -1.733 1.00 0.50 H new ATOM 0 HA2 GLY A 53 -15.832 2.048 -1.832 1.00 0.52 H new ATOM 0 HA3 GLY A 53 -14.124 2.367 -1.606 1.00 0.52 H new ATOM 806 N VAL A 54 -14.139 2.353 -4.185 1.00 0.45 N ATOM 807 CA VAL A 54 -13.879 2.155 -5.639 1.00 0.48 C ATOM 808 C VAL A 54 -12.538 2.792 -6.009 1.00 0.40 C ATOM 809 O VAL A 54 -12.292 3.949 -5.732 1.00 0.39 O ATOM 810 CB VAL A 54 -14.997 2.813 -6.451 1.00 0.61 C ATOM 811 CG1 VAL A 54 -14.603 2.848 -7.928 1.00 0.67 C ATOM 812 CG2 VAL A 54 -16.287 2.006 -6.287 1.00 0.70 C ATOM 0 H VAL A 54 -13.940 3.289 -3.832 1.00 0.45 H new ATOM 0 HA VAL A 54 -13.848 1.088 -5.860 1.00 0.48 H new ATOM 0 HB VAL A 54 -15.155 3.830 -6.094 1.00 0.61 H new ATOM 0 HG11 VAL A 54 -15.399 3.317 -8.506 1.00 0.67 H new ATOM 0 HG12 VAL A 54 -13.684 3.421 -8.046 1.00 0.67 H new ATOM 0 HG13 VAL A 54 -14.445 1.831 -8.287 1.00 0.67 H new ATOM 0 HG21 VAL A 54 -17.084 2.473 -6.865 1.00 0.70 H new ATOM 0 HG22 VAL A 54 -16.128 0.989 -6.645 1.00 0.70 H new ATOM 0 HG23 VAL A 54 -16.569 1.980 -5.234 1.00 0.70 H new ATOM 822 N ILE A 55 -11.668 2.045 -6.632 1.00 0.41 N ATOM 823 CA ILE A 55 -10.344 2.608 -7.019 1.00 0.36 C ATOM 824 C ILE A 55 -10.550 3.806 -7.949 1.00 0.33 C ATOM 825 O ILE A 55 -11.612 3.994 -8.507 1.00 0.38 O ATOM 826 CB ILE A 55 -9.527 1.536 -7.741 1.00 0.38 C ATOM 827 CG1 ILE A 55 -9.433 0.289 -6.858 1.00 0.51 C ATOM 828 CG2 ILE A 55 -8.122 2.069 -8.026 1.00 0.51 C ATOM 829 CD1 ILE A 55 -8.454 0.546 -5.711 1.00 1.33 C ATOM 0 H ILE A 55 -11.817 1.069 -6.890 1.00 0.41 H new ATOM 0 HA ILE A 55 -9.811 2.931 -6.125 1.00 0.36 H new ATOM 0 HB ILE A 55 -10.013 1.280 -8.682 1.00 0.38 H new ATOM 0 HG12 ILE A 55 -10.416 0.037 -6.461 1.00 0.51 H new ATOM 0 HG13 ILE A 55 -9.100 -0.564 -7.450 1.00 0.51 H new ATOM 0 HG21 ILE A 55 -7.540 1.304 -8.541 1.00 0.51 H new ATOM 0 HG22 ILE A 55 -8.190 2.957 -8.654 1.00 0.51 H new ATOM 0 HG23 ILE A 55 -7.633 2.326 -7.086 1.00 0.51 H new ATOM 0 HD11 ILE A 55 -8.388 -0.342 -5.083 1.00 1.33 H new ATOM 0 HD12 ILE A 55 -7.469 0.777 -6.118 1.00 1.33 H new ATOM 0 HD13 ILE A 55 -8.806 1.387 -5.114 1.00 1.33 H new ATOM 841 N ALA A 56 -9.542 4.617 -8.119 1.00 0.33 N ATOM 842 CA ALA A 56 -9.682 5.801 -9.012 1.00 0.39 C ATOM 843 C ALA A 56 -8.962 5.530 -10.335 1.00 0.36 C ATOM 844 O ALA A 56 -9.559 5.549 -11.393 1.00 0.41 O ATOM 845 CB ALA A 56 -9.063 7.026 -8.336 1.00 0.47 C ATOM 0 H ALA A 56 -8.628 4.511 -7.678 1.00 0.33 H new ATOM 0 HA ALA A 56 -10.738 5.988 -9.205 1.00 0.39 H new ATOM 0 HB1 ALA A 56 -9.165 7.893 -8.989 1.00 0.47 H new ATOM 0 HB2 ALA A 56 -9.576 7.219 -7.394 1.00 0.47 H new ATOM 0 HB3 ALA A 56 -8.007 6.840 -8.143 1.00 0.47 H new ATOM 851 N GLU A 57 -7.683 5.278 -10.284 1.00 0.33 N ATOM 852 CA GLU A 57 -6.927 5.007 -11.539 1.00 0.35 C ATOM 853 C GLU A 57 -5.460 4.733 -11.202 1.00 0.33 C ATOM 854 O GLU A 57 -4.920 5.268 -10.255 1.00 0.39 O ATOM 855 CB GLU A 57 -7.019 6.223 -12.463 1.00 0.43 C ATOM 856 CG GLU A 57 -7.375 5.764 -13.878 1.00 1.38 C ATOM 857 CD GLU A 57 -7.345 6.963 -14.827 1.00 1.82 C ATOM 858 OE1 GLU A 57 -7.790 8.025 -14.423 1.00 2.41 O ATOM 859 OE2 GLU A 57 -6.876 6.800 -15.942 1.00 2.34 O ATOM 0 H GLU A 57 -7.129 5.248 -9.428 1.00 0.33 H new ATOM 0 HA GLU A 57 -7.354 4.137 -12.039 1.00 0.35 H new ATOM 0 HB2 GLU A 57 -7.774 6.917 -12.094 1.00 0.43 H new ATOM 0 HB3 GLU A 57 -6.070 6.759 -12.471 1.00 0.43 H new ATOM 0 HG2 GLU A 57 -6.669 5.004 -14.213 1.00 1.38 H new ATOM 0 HG3 GLU A 57 -8.364 5.306 -13.885 1.00 1.38 H new ATOM 866 N ILE A 58 -4.810 3.902 -11.972 1.00 0.30 N ATOM 867 CA ILE A 58 -3.379 3.596 -11.695 1.00 0.30 C ATOM 868 C ILE A 58 -2.496 4.318 -12.715 1.00 0.33 C ATOM 869 O ILE A 58 -2.738 4.268 -13.905 1.00 0.49 O ATOM 870 CB ILE A 58 -3.150 2.087 -11.801 1.00 0.36 C ATOM 871 CG1 ILE A 58 -4.060 1.361 -10.808 1.00 0.51 C ATOM 872 CG2 ILE A 58 -1.689 1.768 -11.478 1.00 0.34 C ATOM 873 CD1 ILE A 58 -3.965 2.038 -9.439 1.00 1.70 C ATOM 0 H ILE A 58 -5.208 3.423 -12.780 1.00 0.30 H new ATOM 0 HA ILE A 58 -3.124 3.933 -10.690 1.00 0.30 H new ATOM 0 HB ILE A 58 -3.379 1.756 -12.814 1.00 0.36 H new ATOM 0 HG12 ILE A 58 -5.090 1.378 -11.163 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -3.767 0.314 -10.729 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -1.526 0.693 -11.554 1.00 0.34 H new ATOM 0 HG22 ILE A 58 -1.039 2.284 -12.185 1.00 0.34 H new ATOM 0 HG23 ILE A 58 -1.460 2.099 -10.465 1.00 0.34 H new ATOM 0 HD11 ILE A 58 -4.613 1.521 -8.732 1.00 1.70 H new ATOM 0 HD12 ILE A 58 -2.935 1.998 -9.084 1.00 1.70 H new ATOM 0 HD13 ILE A 58 -4.279 3.078 -9.525 1.00 1.70 H new ATOM 885 N VAL A 59 -1.474 4.988 -12.260 1.00 0.38 N ATOM 886 CA VAL A 59 -0.577 5.712 -13.205 1.00 0.47 C ATOM 887 C VAL A 59 0.602 4.812 -13.579 1.00 0.43 C ATOM 888 O VAL A 59 1.075 4.824 -14.698 1.00 0.63 O ATOM 889 CB VAL A 59 -0.055 6.986 -12.539 1.00 0.69 C ATOM 890 CG1 VAL A 59 0.760 7.795 -13.550 1.00 0.86 C ATOM 891 CG2 VAL A 59 -1.237 7.826 -12.050 1.00 0.82 C ATOM 0 H VAL A 59 -1.221 5.066 -11.275 1.00 0.38 H new ATOM 0 HA VAL A 59 -1.133 5.975 -14.105 1.00 0.47 H new ATOM 0 HB VAL A 59 0.578 6.719 -11.693 1.00 0.69 H new ATOM 0 HG11 VAL A 59 1.132 8.703 -13.075 1.00 0.86 H new ATOM 0 HG12 VAL A 59 1.602 7.198 -13.900 1.00 0.86 H new ATOM 0 HG13 VAL A 59 0.128 8.062 -14.397 1.00 0.86 H new ATOM 0 HG21 VAL A 59 -0.866 8.734 -11.575 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -1.870 8.092 -12.897 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -1.818 7.251 -11.329 1.00 0.82 H new ATOM 901 N LYS A 60 1.082 4.031 -12.650 1.00 0.47 N ATOM 902 CA LYS A 60 2.231 3.131 -12.952 1.00 0.57 C ATOM 903 C LYS A 60 1.705 1.760 -13.381 1.00 0.48 C ATOM 904 O LYS A 60 0.678 1.305 -12.917 1.00 0.70 O ATOM 905 CB LYS A 60 3.100 2.977 -11.702 1.00 0.85 C ATOM 906 CG LYS A 60 4.536 3.396 -12.024 1.00 1.18 C ATOM 907 CD LYS A 60 4.599 4.916 -12.192 1.00 1.87 C ATOM 908 CE LYS A 60 4.793 5.258 -13.670 1.00 2.22 C ATOM 909 NZ LYS A 60 5.450 6.590 -13.790 1.00 2.92 N ATOM 0 H LYS A 60 0.728 3.977 -11.695 1.00 0.47 H new ATOM 0 HA LYS A 60 2.827 3.559 -13.758 1.00 0.57 H new ATOM 0 HB2 LYS A 60 2.704 3.590 -10.893 1.00 0.85 H new ATOM 0 HB3 LYS A 60 3.080 1.943 -11.357 1.00 0.85 H new ATOM 0 HG2 LYS A 60 5.206 3.080 -11.225 1.00 1.18 H new ATOM 0 HG3 LYS A 60 4.874 2.904 -12.936 1.00 1.18 H new ATOM 0 HD2 LYS A 60 3.682 5.372 -11.820 1.00 1.87 H new ATOM 0 HD3 LYS A 60 5.420 5.324 -11.602 1.00 1.87 H new ATOM 0 HE2 LYS A 60 5.403 4.495 -14.154 1.00 2.22 H new ATOM 0 HE3 LYS A 60 3.830 5.268 -14.181 1.00 2.22 H new ATOM 0 HZ1 LYS A 60 4.791 7.264 -14.229 1.00 2.92 H new ATOM 0 HZ2 LYS A 60 5.716 6.932 -12.845 1.00 2.92 H new ATOM 0 HZ3 LYS A 60 6.302 6.505 -14.380 1.00 2.92 H new ATOM 923 N ASN A 61 2.401 1.097 -14.263 1.00 0.44 N ATOM 924 CA ASN A 61 1.940 -0.245 -14.720 1.00 0.41 C ATOM 925 C ASN A 61 2.772 -1.331 -14.037 1.00 0.38 C ATOM 926 O ASN A 61 3.695 -1.048 -13.300 1.00 0.42 O ATOM 927 CB ASN A 61 2.108 -0.352 -16.238 1.00 0.59 C ATOM 928 CG ASN A 61 0.945 0.358 -16.932 1.00 0.77 C ATOM 929 OD1 ASN A 61 -0.039 -0.262 -17.283 1.00 1.32 O ATOM 930 ND2 ASN A 61 1.017 1.643 -17.148 1.00 0.94 N ATOM 0 H ASN A 61 3.268 1.426 -14.687 1.00 0.44 H new ATOM 0 HA ASN A 61 0.890 -0.376 -14.460 1.00 0.41 H new ATOM 0 HB2 ASN A 61 3.054 0.095 -16.542 1.00 0.59 H new ATOM 0 HB3 ASN A 61 2.139 -1.399 -16.538 1.00 0.59 H new ATOM 0 HD21 ASN A 61 0.247 2.126 -17.611 1.00 0.94 H new ATOM 0 HD22 ASN A 61 1.843 2.164 -16.854 1.00 0.94 H new ATOM 937 N GLU A 62 2.453 -2.574 -14.276 1.00 0.49 N ATOM 938 CA GLU A 62 3.225 -3.678 -13.641 1.00 0.60 C ATOM 939 C GLU A 62 4.593 -3.800 -14.317 1.00 0.61 C ATOM 940 O GLU A 62 4.747 -3.504 -15.485 1.00 0.67 O ATOM 941 CB GLU A 62 2.461 -4.994 -13.800 1.00 0.84 C ATOM 942 CG GLU A 62 0.996 -4.786 -13.408 1.00 0.47 C ATOM 943 CD GLU A 62 0.159 -5.956 -13.928 1.00 1.25 C ATOM 944 OE1 GLU A 62 0.746 -6.926 -14.379 1.00 1.84 O ATOM 945 OE2 GLU A 62 -1.056 -5.862 -13.867 1.00 1.95 O ATOM 0 H GLU A 62 1.690 -2.872 -14.884 1.00 0.49 H new ATOM 0 HA GLU A 62 3.360 -3.462 -12.581 1.00 0.60 H new ATOM 0 HB2 GLU A 62 2.527 -5.342 -14.831 1.00 0.84 H new ATOM 0 HB3 GLU A 62 2.910 -5.765 -13.174 1.00 0.84 H new ATOM 0 HG2 GLU A 62 0.905 -4.713 -12.324 1.00 0.47 H new ATOM 0 HG3 GLU A 62 0.627 -3.848 -13.823 1.00 0.47 H new ATOM 952 N GLY A 63 5.587 -4.234 -13.592 1.00 0.65 N ATOM 953 CA GLY A 63 6.943 -4.377 -14.194 1.00 0.76 C ATOM 954 C GLY A 63 7.525 -2.991 -14.481 1.00 0.66 C ATOM 955 O GLY A 63 8.491 -2.852 -15.204 1.00 0.84 O ATOM 0 H GLY A 63 5.519 -4.496 -12.609 1.00 0.65 H new ATOM 0 HA2 GLY A 63 7.597 -4.924 -13.515 1.00 0.76 H new ATOM 0 HA3 GLY A 63 6.884 -4.956 -15.116 1.00 0.76 H new ATOM 959 N ASP A 64 6.945 -1.965 -13.921 1.00 0.47 N ATOM 960 CA ASP A 64 7.468 -0.591 -14.164 1.00 0.48 C ATOM 961 C ASP A 64 8.331 -0.154 -12.980 1.00 0.39 C ATOM 962 O ASP A 64 8.379 -0.805 -11.955 1.00 0.32 O ATOM 963 CB ASP A 64 6.293 0.378 -14.345 1.00 0.51 C ATOM 964 CG ASP A 64 6.673 1.775 -13.848 1.00 0.59 C ATOM 965 OD1 ASP A 64 6.710 1.964 -12.643 1.00 1.15 O ATOM 966 OD2 ASP A 64 6.921 2.631 -14.681 1.00 1.24 O ATOM 0 H ASP A 64 6.133 -2.019 -13.307 1.00 0.47 H new ATOM 0 HA ASP A 64 8.077 -0.586 -15.068 1.00 0.48 H new ATOM 0 HB2 ASP A 64 6.009 0.424 -15.396 1.00 0.51 H new ATOM 0 HB3 ASP A 64 5.425 0.013 -13.796 1.00 0.51 H new ATOM 971 N THR A 65 9.011 0.948 -13.119 1.00 0.49 N ATOM 972 CA THR A 65 9.875 1.439 -12.009 1.00 0.46 C ATOM 973 C THR A 65 9.154 2.561 -11.259 1.00 0.48 C ATOM 974 O THR A 65 8.481 3.383 -11.849 1.00 0.69 O ATOM 975 CB THR A 65 11.190 1.972 -12.583 1.00 0.61 C ATOM 976 OG1 THR A 65 11.948 0.891 -13.107 1.00 1.32 O ATOM 977 CG2 THR A 65 11.986 2.669 -11.479 1.00 1.32 C ATOM 0 H THR A 65 9.006 1.532 -13.955 1.00 0.49 H new ATOM 0 HA THR A 65 10.084 0.619 -11.322 1.00 0.46 H new ATOM 0 HB THR A 65 10.977 2.686 -13.379 1.00 0.61 H new ATOM 0 HG1 THR A 65 12.790 1.231 -13.477 1.00 1.32 H new ATOM 0 HG21 THR A 65 12.922 3.048 -11.889 1.00 1.32 H new ATOM 0 HG22 THR A 65 11.403 3.498 -11.078 1.00 1.32 H new ATOM 0 HG23 THR A 65 12.201 1.958 -10.681 1.00 1.32 H new ATOM 985 N VAL A 66 9.289 2.602 -9.961 1.00 0.43 N ATOM 986 CA VAL A 66 8.611 3.671 -9.175 1.00 0.57 C ATOM 987 C VAL A 66 9.651 4.439 -8.356 1.00 0.53 C ATOM 988 O VAL A 66 10.739 3.959 -8.110 1.00 0.75 O ATOM 989 CB VAL A 66 7.585 3.039 -8.233 1.00 0.71 C ATOM 990 CG1 VAL A 66 6.628 2.157 -9.037 1.00 0.87 C ATOM 991 CG2 VAL A 66 8.310 2.184 -7.191 1.00 0.76 C ATOM 0 H VAL A 66 9.839 1.942 -9.412 1.00 0.43 H new ATOM 0 HA VAL A 66 8.105 4.357 -9.855 1.00 0.57 H new ATOM 0 HB VAL A 66 7.020 3.825 -7.732 1.00 0.71 H new ATOM 0 HG11 VAL A 66 5.897 1.707 -8.365 1.00 0.87 H new ATOM 0 HG12 VAL A 66 6.112 2.764 -9.781 1.00 0.87 H new ATOM 0 HG13 VAL A 66 7.192 1.371 -9.539 1.00 0.87 H new ATOM 0 HG21 VAL A 66 7.580 1.733 -6.519 1.00 0.76 H new ATOM 0 HG22 VAL A 66 8.874 1.399 -7.694 1.00 0.76 H new ATOM 0 HG23 VAL A 66 8.993 2.811 -6.617 1.00 0.76 H new ATOM 1001 N LEU A 67 9.324 5.629 -7.932 1.00 0.50 N ATOM 1002 CA LEU A 67 10.294 6.426 -7.129 1.00 0.49 C ATOM 1003 C LEU A 67 9.738 6.637 -5.719 1.00 0.51 C ATOM 1004 O LEU A 67 8.619 6.268 -5.421 1.00 0.56 O ATOM 1005 CB LEU A 67 10.516 7.784 -7.798 1.00 0.57 C ATOM 1006 CG LEU A 67 11.910 7.823 -8.425 1.00 1.02 C ATOM 1007 CD1 LEU A 67 11.785 7.985 -9.941 1.00 1.37 C ATOM 1008 CD2 LEU A 67 12.693 9.006 -7.850 1.00 1.58 C ATOM 0 H LEU A 67 8.428 6.084 -8.107 1.00 0.50 H new ATOM 0 HA LEU A 67 11.242 5.891 -7.069 1.00 0.49 H new ATOM 0 HB2 LEU A 67 9.757 7.953 -8.562 1.00 0.57 H new ATOM 0 HB3 LEU A 67 10.413 8.584 -7.064 1.00 0.57 H new ATOM 0 HG LEU A 67 12.435 6.894 -8.201 1.00 1.02 H new ATOM 0 HD11 LEU A 67 12.779 8.013 -10.387 1.00 1.37 H new ATOM 0 HD12 LEU A 67 11.226 7.144 -10.352 1.00 1.37 H new ATOM 0 HD13 LEU A 67 11.260 8.914 -10.166 1.00 1.37 H new ATOM 0 HD21 LEU A 67 13.687 9.035 -8.296 1.00 1.58 H new ATOM 0 HD22 LEU A 67 12.167 9.934 -8.074 1.00 1.58 H new ATOM 0 HD23 LEU A 67 12.783 8.892 -6.770 1.00 1.58 H new ATOM 1020 N SER A 68 10.510 7.228 -4.849 1.00 0.58 N ATOM 1021 CA SER A 68 10.024 7.462 -3.460 1.00 0.69 C ATOM 1022 C SER A 68 8.904 8.504 -3.479 1.00 0.73 C ATOM 1023 O SER A 68 9.114 9.648 -3.829 1.00 0.89 O ATOM 1024 CB SER A 68 11.179 7.971 -2.595 1.00 0.80 C ATOM 1025 OG SER A 68 10.724 8.142 -1.259 1.00 0.87 O ATOM 0 H SER A 68 11.456 7.559 -5.040 1.00 0.58 H new ATOM 0 HA SER A 68 9.644 6.528 -3.046 1.00 0.69 H new ATOM 0 HB2 SER A 68 12.008 7.264 -2.622 1.00 0.80 H new ATOM 0 HB3 SER A 68 11.554 8.916 -2.988 1.00 0.80 H new ATOM 0 HG SER A 68 11.329 8.747 -0.782 1.00 0.87 H new ATOM 1031 N GLY A 69 7.715 8.117 -3.106 1.00 0.76 N ATOM 1032 CA GLY A 69 6.583 9.087 -3.104 1.00 0.82 C ATOM 1033 C GLY A 69 5.916 9.097 -4.480 1.00 0.69 C ATOM 1034 O GLY A 69 5.287 10.062 -4.868 1.00 0.72 O ATOM 0 H GLY A 69 7.478 7.172 -2.803 1.00 0.76 H new ATOM 0 HA2 GLY A 69 5.857 8.813 -2.338 1.00 0.82 H new ATOM 0 HA3 GLY A 69 6.946 10.085 -2.857 1.00 0.82 H new ATOM 1038 N GLU A 70 6.047 8.031 -5.221 1.00 0.60 N ATOM 1039 CA GLU A 70 5.419 7.981 -6.572 1.00 0.51 C ATOM 1040 C GLU A 70 3.948 7.584 -6.437 1.00 0.47 C ATOM 1041 O GLU A 70 3.626 6.513 -5.961 1.00 0.52 O ATOM 1042 CB GLU A 70 6.149 6.950 -7.436 1.00 0.51 C ATOM 1043 CG GLU A 70 5.447 6.829 -8.790 1.00 0.58 C ATOM 1044 CD GLU A 70 5.963 7.919 -9.732 1.00 0.92 C ATOM 1045 OE1 GLU A 70 6.087 9.048 -9.287 1.00 1.46 O ATOM 1046 OE2 GLU A 70 6.224 7.605 -10.881 1.00 1.67 O ATOM 0 H GLU A 70 6.561 7.193 -4.950 1.00 0.60 H new ATOM 0 HA GLU A 70 5.488 8.962 -7.041 1.00 0.51 H new ATOM 0 HB2 GLU A 70 7.187 7.249 -7.578 1.00 0.51 H new ATOM 0 HB3 GLU A 70 6.162 5.983 -6.934 1.00 0.51 H new ATOM 0 HG2 GLU A 70 5.631 5.845 -9.220 1.00 0.58 H new ATOM 0 HG3 GLU A 70 4.369 6.924 -8.662 1.00 0.58 H new ATOM 1053 N LEU A 71 3.052 8.438 -6.851 1.00 0.46 N ATOM 1054 CA LEU A 71 1.603 8.107 -6.746 1.00 0.44 C ATOM 1055 C LEU A 71 1.269 6.964 -7.706 1.00 0.43 C ATOM 1056 O LEU A 71 1.334 7.114 -8.910 1.00 0.52 O ATOM 1057 CB LEU A 71 0.771 9.339 -7.109 1.00 0.51 C ATOM 1058 CG LEU A 71 -0.709 9.047 -6.861 1.00 0.55 C ATOM 1059 CD1 LEU A 71 -1.268 10.058 -5.858 1.00 0.94 C ATOM 1060 CD2 LEU A 71 -1.478 9.160 -8.179 1.00 0.85 C ATOM 0 H LEU A 71 3.261 9.350 -7.257 1.00 0.46 H new ATOM 0 HA LEU A 71 1.373 7.801 -5.725 1.00 0.44 H new ATOM 0 HB2 LEU A 71 1.089 10.194 -6.512 1.00 0.51 H new ATOM 0 HB3 LEU A 71 0.930 9.603 -8.154 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.818 8.039 -6.460 1.00 0.55 H new ATOM 0 HD11 LEU A 71 -2.323 9.850 -5.681 1.00 0.94 H new ATOM 0 HD12 LEU A 71 -0.720 9.980 -4.919 1.00 0.94 H new ATOM 0 HD13 LEU A 71 -1.159 11.066 -6.258 1.00 0.94 H new ATOM 0 HD21 LEU A 71 -2.533 8.952 -8.003 1.00 0.85 H new ATOM 0 HD22 LEU A 71 -1.368 10.168 -8.579 1.00 0.85 H new ATOM 0 HD23 LEU A 71 -1.081 8.441 -8.895 1.00 0.85 H new ATOM 1072 N LEU A 72 0.912 5.823 -7.184 1.00 0.43 N ATOM 1073 CA LEU A 72 0.575 4.672 -8.068 1.00 0.47 C ATOM 1074 C LEU A 72 -0.929 4.669 -8.349 1.00 0.49 C ATOM 1075 O LEU A 72 -1.390 4.082 -9.308 1.00 0.81 O ATOM 1076 CB LEU A 72 0.967 3.365 -7.376 1.00 0.53 C ATOM 1077 CG LEU A 72 2.357 3.512 -6.756 1.00 0.63 C ATOM 1078 CD1 LEU A 72 2.528 2.484 -5.636 1.00 0.88 C ATOM 1079 CD2 LEU A 72 3.421 3.277 -7.830 1.00 0.93 C ATOM 0 H LEU A 72 0.839 5.638 -6.184 1.00 0.43 H new ATOM 0 HA LEU A 72 1.120 4.763 -9.007 1.00 0.47 H new ATOM 0 HB2 LEU A 72 0.238 3.117 -6.605 1.00 0.53 H new ATOM 0 HB3 LEU A 72 0.963 2.545 -8.095 1.00 0.53 H new ATOM 0 HG LEU A 72 2.468 4.516 -6.347 1.00 0.63 H new ATOM 0 HD11 LEU A 72 3.519 2.589 -5.194 1.00 0.88 H new ATOM 0 HD12 LEU A 72 1.770 2.650 -4.871 1.00 0.88 H new ATOM 0 HD13 LEU A 72 2.417 1.479 -6.044 1.00 0.88 H new ATOM 0 HD21 LEU A 72 4.412 3.382 -7.389 1.00 0.93 H new ATOM 0 HD22 LEU A 72 3.310 2.273 -8.239 1.00 0.93 H new ATOM 0 HD23 LEU A 72 3.300 4.009 -8.628 1.00 0.93 H new ATOM 1091 N GLY A 73 -1.698 5.320 -7.520 1.00 0.41 N ATOM 1092 CA GLY A 73 -3.172 5.353 -7.740 1.00 0.40 C ATOM 1093 C GLY A 73 -3.851 6.028 -6.547 1.00 0.37 C ATOM 1094 O GLY A 73 -3.213 6.381 -5.575 1.00 0.43 O ATOM 0 H GLY A 73 -1.370 5.830 -6.700 1.00 0.41 H new ATOM 0 HA2 GLY A 73 -3.401 5.895 -8.657 1.00 0.40 H new ATOM 0 HA3 GLY A 73 -3.555 4.340 -7.864 1.00 0.40 H new ATOM 1098 N LYS A 74 -5.142 6.211 -6.613 1.00 0.35 N ATOM 1099 CA LYS A 74 -5.860 6.864 -5.482 1.00 0.40 C ATOM 1100 C LYS A 74 -7.160 6.108 -5.200 1.00 0.38 C ATOM 1101 O LYS A 74 -7.834 5.653 -6.104 1.00 0.38 O ATOM 1102 CB LYS A 74 -6.183 8.313 -5.852 1.00 0.49 C ATOM 1103 CG LYS A 74 -4.903 9.150 -5.804 1.00 1.27 C ATOM 1104 CD LYS A 74 -5.266 10.633 -5.713 1.00 1.51 C ATOM 1105 CE LYS A 74 -5.849 11.099 -7.048 1.00 1.95 C ATOM 1106 NZ LYS A 74 -5.993 12.582 -7.037 1.00 2.40 N ATOM 0 H LYS A 74 -5.730 5.937 -7.400 1.00 0.35 H new ATOM 0 HA LYS A 74 -5.230 6.848 -4.593 1.00 0.40 H new ATOM 0 HB2 LYS A 74 -6.621 8.356 -6.849 1.00 0.49 H new ATOM 0 HB3 LYS A 74 -6.922 8.720 -5.162 1.00 0.49 H new ATOM 0 HG2 LYS A 74 -4.298 8.859 -4.945 1.00 1.27 H new ATOM 0 HG3 LYS A 74 -4.302 8.966 -6.694 1.00 1.27 H new ATOM 0 HD2 LYS A 74 -5.989 10.793 -4.913 1.00 1.51 H new ATOM 0 HD3 LYS A 74 -4.382 11.220 -5.466 1.00 1.51 H new ATOM 0 HE2 LYS A 74 -5.199 10.792 -7.868 1.00 1.95 H new ATOM 0 HE3 LYS A 74 -6.818 10.630 -7.217 1.00 1.95 H new ATOM 0 HZ1 LYS A 74 -6.389 12.899 -7.945 1.00 2.40 H new ATOM 0 HZ2 LYS A 74 -6.629 12.863 -6.264 1.00 2.40 H new ATOM 0 HZ3 LYS A 74 -5.061 13.020 -6.894 1.00 2.40 H new ATOM 1120 N LEU A 75 -7.518 5.970 -3.953 1.00 0.45 N ATOM 1121 CA LEU A 75 -8.774 5.243 -3.615 1.00 0.47 C ATOM 1122 C LEU A 75 -9.923 6.245 -3.482 1.00 0.55 C ATOM 1123 O LEU A 75 -9.736 7.363 -3.044 1.00 0.72 O ATOM 1124 CB LEU A 75 -8.592 4.498 -2.291 1.00 0.59 C ATOM 1125 CG LEU A 75 -9.727 3.489 -2.112 1.00 0.63 C ATOM 1126 CD1 LEU A 75 -9.206 2.078 -2.390 1.00 0.81 C ATOM 1127 CD2 LEU A 75 -10.252 3.564 -0.677 1.00 0.96 C ATOM 0 H LEU A 75 -6.995 6.329 -3.154 1.00 0.45 H new ATOM 0 HA LEU A 75 -9.004 4.528 -4.405 1.00 0.47 H new ATOM 0 HB2 LEU A 75 -7.630 3.985 -2.280 1.00 0.59 H new ATOM 0 HB3 LEU A 75 -8.586 5.205 -1.462 1.00 0.59 H new ATOM 0 HG LEU A 75 -10.533 3.722 -2.808 1.00 0.63 H new ATOM 0 HD11 LEU A 75 -10.016 1.359 -2.262 1.00 0.81 H new ATOM 0 HD12 LEU A 75 -8.830 2.024 -3.412 1.00 0.81 H new ATOM 0 HD13 LEU A 75 -8.400 1.844 -1.694 1.00 0.81 H new ATOM 0 HD21 LEU A 75 -11.061 2.845 -0.548 1.00 0.96 H new ATOM 0 HD22 LEU A 75 -9.445 3.331 0.018 1.00 0.96 H new ATOM 0 HD23 LEU A 75 -10.624 4.569 -0.478 1.00 0.96 H new ATOM 1139 N THR A 76 -11.110 5.854 -3.856 1.00 0.51 N ATOM 1140 CA THR A 76 -12.269 6.785 -3.751 1.00 0.64 C ATOM 1141 C THR A 76 -13.060 6.472 -2.479 1.00 0.72 C ATOM 1142 O THR A 76 -12.802 5.499 -1.800 1.00 0.86 O ATOM 1143 CB THR A 76 -13.176 6.610 -4.972 1.00 0.68 C ATOM 1144 OG1 THR A 76 -12.379 6.549 -6.146 1.00 1.30 O ATOM 1145 CG2 THR A 76 -14.140 7.793 -5.067 1.00 1.22 C ATOM 0 H THR A 76 -11.328 4.930 -4.230 1.00 0.51 H new ATOM 0 HA THR A 76 -11.908 7.813 -3.711 1.00 0.64 H new ATOM 0 HB THR A 76 -13.747 5.687 -4.872 1.00 0.68 H new ATOM 0 HG1 THR A 76 -12.141 5.617 -6.332 1.00 1.30 H new ATOM 0 HG21 THR A 76 -14.785 7.668 -5.936 1.00 1.22 H new ATOM 0 HG22 THR A 76 -14.751 7.838 -4.165 1.00 1.22 H new ATOM 0 HG23 THR A 76 -13.572 8.718 -5.167 1.00 1.22 H new ATOM 1153 N GLU A 77 -14.022 7.291 -2.152 1.00 0.88 N ATOM 1154 CA GLU A 77 -14.828 7.040 -0.924 1.00 1.06 C ATOM 1155 C GLU A 77 -15.536 5.690 -1.046 1.00 1.02 C ATOM 1156 O GLU A 77 -15.255 4.908 -1.933 1.00 1.53 O ATOM 1157 CB GLU A 77 -15.869 8.150 -0.761 1.00 1.27 C ATOM 1158 CG GLU A 77 -15.161 9.500 -0.634 1.00 1.63 C ATOM 1159 CD GLU A 77 -15.807 10.311 0.492 1.00 2.02 C ATOM 1160 OE1 GLU A 77 -16.761 9.823 1.075 1.00 2.35 O ATOM 1161 OE2 GLU A 77 -15.335 11.406 0.752 1.00 2.62 O ATOM 0 H GLU A 77 -14.284 8.122 -2.682 1.00 0.88 H new ATOM 0 HA GLU A 77 -14.171 7.028 -0.054 1.00 1.06 H new ATOM 0 HB2 GLU A 77 -16.543 8.160 -1.618 1.00 1.27 H new ATOM 0 HB3 GLU A 77 -16.480 7.963 0.122 1.00 1.27 H new ATOM 0 HG2 GLU A 77 -14.102 9.349 -0.426 1.00 1.63 H new ATOM 0 HG3 GLU A 77 -15.227 10.047 -1.575 1.00 1.63 H new ATOM 1168 N GLY A 78 -16.455 5.409 -0.163 1.00 1.20 N ATOM 1169 CA GLY A 78 -17.180 4.109 -0.229 1.00 1.47 C ATOM 1170 C GLY A 78 -18.455 4.190 0.612 1.00 1.87 C ATOM 1171 O GLY A 78 -18.415 4.125 1.825 1.00 2.26 O ATOM 0 H GLY A 78 -16.735 6.024 0.601 1.00 1.20 H new ATOM 0 HA2 GLY A 78 -17.429 3.872 -1.263 1.00 1.47 H new ATOM 0 HA3 GLY A 78 -16.541 3.306 0.137 1.00 1.47 H new ATOM 1175 N GLY A 79 -19.587 4.333 -0.021 1.00 2.53 N ATOM 1176 CA GLY A 79 -20.863 4.418 0.744 1.00 3.19 C ATOM 1177 C GLY A 79 -21.885 5.227 -0.056 1.00 3.71 C ATOM 1178 O GLY A 79 -21.474 5.940 -0.957 1.00 4.08 O ATOM 0 H GLY A 79 -19.683 4.395 -1.035 1.00 2.53 H new ATOM 0 HA2 GLY A 79 -21.249 3.418 0.941 1.00 3.19 H new ATOM 0 HA3 GLY A 79 -20.688 4.888 1.712 1.00 3.19 H new TER 1182 GLY A 79 END