USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) HEADER RIBOSOME 26-MAY-97 1FOY TITLE THE RNA BINDING DOMAIN OF RIBOSOMAL PROTEIN L11: THREE- TITLE 2 DIMENSIONAL STRUCTURE OF THE RNA-BOUND FORM OF THE PROTEIN, TITLE 3 NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBOSOMAL PROTEIN L11; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN, 75 RESIDUES; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 OTHER_DETAILS: STRUCTURE OF THE PROTEIN IN THIS ENTRY WAS COMPND 8 DETERMINED AS A 1\:1 COMPLEX WITH ITS TARGET RNA OF 58 COMPND 9 NUCLEOTIDES, BASES 1051 - 1108 OF THE E. COLI SEQUENCE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 CELL_LINE: BL21; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET11A; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: BL21 KEYWDS RIBOSOME, PROTEIN/RNA, THIOSTREPTON EXPDTA SOLUTION NMR AUTHOR A.P.HINCK,M.A.MARKUS,S.HUANG,S.GRZESIEK,I.KUSTANOVICH, AUTHOR 2 D.E.DRAPER,D.A.TORCHIA REVDAT 2 24-FEB-09 1FOY 1 VERSN REVDAT 1 26-NOV-97 1FOY 0 JRNL AUTH A.P.HINCK,M.A.MARKUS,S.HUANG,S.GRZESIEK, JRNL AUTH 2 I.KUSTONOVICH,D.E.DRAPER,D.A.TORCHIA JRNL TITL THE RNA BINDING DOMAIN OF RIBOSOMAL PROTEIN L11: JRNL TITL 2 THREE-DIMENSIONAL STRUCTURE OF THE RNA-BOUND FORM JRNL TITL 3 OF THE PROTEIN AND ITS INTERACTION WITH 23 S RRNA. JRNL REF J.MOL.BIOL. V. 274 101 1997 JRNL REFN ISSN 0022-2836 JRNL PMID 9398519 JRNL DOI 10.1006/JMBI.1997.1379 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SUBSTRUCTURE DISTANCE GEOMETRY/ REMARK 3 SIMULATED ANNEALING PROTOCOL REMARK 4 REMARK 4 1FOY 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) : 320 REMARK 210 PH : 6.1 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 : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX-500, DMX-600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.8 REMARK 210 METHOD USED : SUBSTRUCTURE DISTANCE REMARK 210 GEOMETRY/SIMULATING ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 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 ILE A 4 28.71 46.63 REMARK 500 ALA A 11 -70.46 -43.20 REMARK 500 LYS A 16 -74.66 -73.02 REMARK 500 ILE A 20 -169.83 43.78 REMARK 500 SER A 22 52.64 163.53 REMARK 500 SER A 24 -78.51 -91.26 REMARK 500 PRO A 27 -162.06 -76.33 REMARK 500 ASN A 28 -58.15 -163.14 REMARK 500 ASN A 30 167.65 76.34 REMARK 500 LYS A 31 94.51 76.94 REMARK 500 ASP A 50 -24.40 160.95 REMARK 500 ALA A 53 161.49 -43.90 REMARK 500 SER A 55 163.67 163.79 REMARK 500 ILE A 56 -73.79 -43.75 REMARK 500 MET A 70 -77.55 -120.93 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 29 0.19 SIDE_CHAIN REMARK 500 ARG A 37 0.24 SIDE_CHAIN REMARK 500 ARG A 41 0.29 SIDE_CHAIN REMARK 500 ARG A 61 0.32 SIDE_CHAIN REMARK 500 ARG A 68 0.28 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2FOW RELATED DB: PDB DBREF 1FOY A 2 76 UNP P56210 RL11_BACST 59 133 SEQRES 1 A 76 MET THR PHE ILE THR LYS THR PRO PRO ALA ALA VAL LEU SEQRES 2 A 76 LEU LYS LYS ALA ALA GLY ILE GLU SER GLY SER GLY GLU SEQRES 3 A 76 PRO ASN ARG ASN LYS VAL ALA THR ILE LYS ARG ASP LYS SEQRES 4 A 76 VAL ARG GLU ILE ALA GLU LEU LYS MET PRO ASP LEU ASN SEQRES 5 A 76 ALA ALA SER ILE GLU ALA ALA MET ARG MET ILE GLU GLY SEQRES 6 A 76 THR ALA ARG SER MET GLY ILE VAL VAL GLU ASP HELIX 1 1 ALA A 10 ALA A 17 1 8 HELIX 2 2 ARG A 37 LEU A 46 1 10 HELIX 3 3 ILE A 56 ALA A 67 1 12 SHEET 1 A 2 ALA A 33 LYS A 36 0 SHEET 2 A 2 ILE A 72 GLU A 75 1 N VAL A 73 O ALA A 33 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 15 LYS NZ :NH3+ -141:sc= 0.324 (180deg=0) USER MOD Set 1.2: A 22 SER OG : rot 84:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.0886) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 70:sc= 0.0911 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 139:sc= -6.6! USER MOD Single : A 28 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.2!) USER MOD Single : A 30 ASN : amide:sc= -2.75! C(o=-2.8!,f=-4.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= -5.17! (180deg=-10.1!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.351 K(o=-0.35,f=-3!) USER MOD Single : A 55 SER OG : rot 73:sc= 0.195 USER MOD Single : A 60 MET CE :methyl 147:sc= -1.86! (180deg=-2.99!) USER MOD Single : A 62 MET CE :methyl 156:sc=-0.00978 (180deg=-0.574) USER MOD Single : A 66 THR OG1 : rot 106:sc= 0.725 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -143:sc= -0.162 (180deg=-0.294) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.172 3.548 -6.019 1.00 12.98 N ATOM 2 CA MET A 1 16.116 4.463 -5.499 1.00 12.64 C ATOM 3 C MET A 1 16.443 4.851 -4.056 1.00 11.83 C ATOM 4 O MET A 1 15.572 4.943 -3.214 1.00 11.83 O ATOM 5 CB MET A 1 14.761 3.754 -5.541 1.00 13.21 C ATOM 6 CG MET A 1 13.769 4.596 -6.345 1.00 13.64 C ATOM 7 SD MET A 1 13.059 3.590 -7.672 1.00 14.51 S ATOM 8 CE MET A 1 11.674 4.684 -8.070 1.00 14.97 C ATOM 0 H1 MET A 1 16.876 3.164 -6.939 1.00 12.98 H new ATOM 0 H2 MET A 1 18.062 4.074 -6.134 1.00 12.98 H new ATOM 0 H3 MET A 1 17.316 2.767 -5.348 1.00 12.98 H new ATOM 0 HA MET A 1 16.076 5.360 -6.117 1.00 12.64 H new ATOM 0 HB2 MET A 1 14.868 2.768 -5.994 1.00 13.21 H new ATOM 0 HB3 MET A 1 14.387 3.601 -4.529 1.00 13.21 H new ATOM 0 HG2 MET A 1 12.978 4.967 -5.693 1.00 13.64 H new ATOM 0 HG3 MET A 1 14.272 5.468 -6.764 1.00 13.64 H new ATOM 0 HE1 MET A 1 11.089 4.250 -8.881 1.00 14.97 H new ATOM 0 HE2 MET A 1 11.042 4.805 -7.190 1.00 14.97 H new ATOM 0 HE3 MET A 1 12.056 5.657 -8.379 1.00 14.97 H new ATOM 20 N THR A 2 17.694 5.081 -3.762 1.00 11.31 N ATOM 21 CA THR A 2 18.075 5.464 -2.374 1.00 10.69 C ATOM 22 C THR A 2 18.611 6.897 -2.368 1.00 9.66 C ATOM 23 O THR A 2 19.186 7.351 -1.399 1.00 9.48 O ATOM 24 CB THR A 2 19.159 4.512 -1.862 1.00 10.97 C ATOM 25 OG1 THR A 2 19.883 3.985 -2.965 1.00 11.18 O ATOM 26 CG2 THR A 2 18.509 3.368 -1.082 1.00 11.69 C ATOM 0 H THR A 2 18.468 5.020 -4.423 1.00 11.31 H new ATOM 0 HA THR A 2 17.200 5.401 -1.727 1.00 10.69 H new ATOM 0 HB THR A 2 19.840 5.055 -1.206 1.00 10.97 H new ATOM 0 HG1 THR A 2 20.579 3.377 -2.639 1.00 11.18 H new ATOM 0 HG21 THR A 2 19.282 2.691 -0.718 1.00 11.69 H new ATOM 0 HG22 THR A 2 17.954 3.774 -0.236 1.00 11.69 H new ATOM 0 HG23 THR A 2 17.828 2.823 -1.735 1.00 11.69 H new ATOM 34 N PHE A 3 18.428 7.613 -3.444 1.00 9.19 N ATOM 35 CA PHE A 3 18.928 9.015 -3.499 1.00 8.38 C ATOM 36 C PHE A 3 17.739 9.979 -3.529 1.00 7.44 C ATOM 37 O PHE A 3 17.136 10.204 -4.559 1.00 7.47 O ATOM 38 CB PHE A 3 19.771 9.207 -4.761 1.00 8.74 C ATOM 39 CG PHE A 3 19.088 8.540 -5.930 1.00 9.28 C ATOM 40 CD1 PHE A 3 19.341 7.192 -6.213 1.00 9.79 C ATOM 41 CD2 PHE A 3 18.201 9.268 -6.732 1.00 9.54 C ATOM 42 CE1 PHE A 3 18.707 6.573 -7.297 1.00 10.49 C ATOM 43 CE2 PHE A 3 17.567 8.649 -7.816 1.00 10.27 C ATOM 44 CZ PHE A 3 17.820 7.302 -8.099 1.00 10.72 C ATOM 0 H PHE A 3 17.954 7.287 -4.287 1.00 9.19 H new ATOM 0 HA PHE A 3 19.539 9.218 -2.620 1.00 8.38 H new ATOM 0 HB2 PHE A 3 19.905 10.270 -4.963 1.00 8.74 H new ATOM 0 HB3 PHE A 3 20.764 8.782 -4.616 1.00 8.74 H new ATOM 0 HD1 PHE A 3 20.025 6.630 -5.595 1.00 9.79 H new ATOM 0 HD2 PHE A 3 18.006 10.308 -6.514 1.00 9.54 H new ATOM 0 HE1 PHE A 3 18.902 5.533 -7.515 1.00 10.49 H new ATOM 0 HE2 PHE A 3 16.883 9.211 -8.434 1.00 10.27 H new ATOM 0 HZ PHE A 3 17.331 6.825 -8.936 1.00 10.72 H new ATOM 54 N ILE A 4 17.399 10.550 -2.406 1.00 6.88 N ATOM 55 CA ILE A 4 16.250 11.498 -2.372 1.00 6.22 C ATOM 56 C ILE A 4 15.064 10.890 -3.123 1.00 5.10 C ATOM 57 O ILE A 4 14.240 11.593 -3.675 1.00 5.09 O ATOM 58 CB ILE A 4 16.655 12.815 -3.038 1.00 6.67 C ATOM 59 CG1 ILE A 4 18.035 13.238 -2.530 1.00 7.21 C ATOM 60 CG2 ILE A 4 15.632 13.898 -2.692 1.00 7.17 C ATOM 61 CD1 ILE A 4 18.525 14.447 -3.330 1.00 7.84 C ATOM 0 H ILE A 4 17.867 10.401 -1.512 1.00 6.88 H new ATOM 0 HA ILE A 4 15.966 11.687 -1.337 1.00 6.22 H new ATOM 0 HB ILE A 4 16.689 12.680 -4.119 1.00 6.67 H new ATOM 0 HG12 ILE A 4 17.984 13.487 -1.470 1.00 7.21 H new ATOM 0 HG13 ILE A 4 18.740 12.413 -2.630 1.00 7.21 H new ATOM 0 HG21 ILE A 4 15.921 14.836 -3.166 1.00 7.17 H new ATOM 0 HG22 ILE A 4 14.648 13.597 -3.052 1.00 7.17 H new ATOM 0 HG23 ILE A 4 15.597 14.034 -1.611 1.00 7.17 H new ATOM 0 HD11 ILE A 4 19.508 14.748 -2.968 1.00 7.84 H new ATOM 0 HD12 ILE A 4 18.592 14.182 -4.385 1.00 7.84 H new ATOM 0 HD13 ILE A 4 17.824 15.273 -3.207 1.00 7.84 H new ATOM 73 N THR A 5 14.970 9.589 -3.148 1.00 4.51 N ATOM 74 CA THR A 5 13.837 8.938 -3.864 1.00 3.70 C ATOM 75 C THR A 5 13.070 8.038 -2.893 1.00 2.85 C ATOM 76 O THR A 5 12.447 7.072 -3.287 1.00 3.13 O ATOM 77 CB THR A 5 14.380 8.095 -5.020 1.00 4.16 C ATOM 78 OG1 THR A 5 15.486 8.763 -5.612 1.00 4.93 O ATOM 79 CG2 THR A 5 13.284 7.893 -6.067 1.00 4.77 C ATOM 0 H THR A 5 15.628 8.949 -2.704 1.00 4.51 H new ATOM 0 HA THR A 5 13.168 9.704 -4.256 1.00 3.70 H new ATOM 0 HB THR A 5 14.700 7.124 -4.642 1.00 4.16 H new ATOM 0 HG1 THR A 5 16.248 8.744 -4.995 1.00 4.93 H new ATOM 0 HG21 THR A 5 13.673 7.292 -6.889 1.00 4.77 H new ATOM 0 HG22 THR A 5 12.436 7.380 -5.612 1.00 4.77 H new ATOM 0 HG23 THR A 5 12.961 8.862 -6.447 1.00 4.77 H new ATOM 87 N LYS A 6 13.109 8.347 -1.626 1.00 2.24 N ATOM 88 CA LYS A 6 12.382 7.508 -0.632 1.00 1.62 C ATOM 89 C LYS A 6 10.937 7.306 -1.095 1.00 1.44 C ATOM 90 O LYS A 6 10.270 8.236 -1.502 1.00 2.17 O ATOM 91 CB LYS A 6 12.388 8.209 0.728 1.00 2.11 C ATOM 92 CG LYS A 6 13.758 8.034 1.387 1.00 2.53 C ATOM 93 CD LYS A 6 14.452 9.393 1.493 1.00 3.18 C ATOM 94 CE LYS A 6 14.580 9.789 2.965 1.00 3.92 C ATOM 95 NZ LYS A 6 15.756 10.687 3.137 1.00 4.53 N ATOM 0 H LYS A 6 13.613 9.144 -1.236 1.00 2.24 H new ATOM 0 HA LYS A 6 12.874 6.540 -0.544 1.00 1.62 H new ATOM 0 HB2 LYS A 6 12.165 9.269 0.604 1.00 2.11 H new ATOM 0 HB3 LYS A 6 11.609 7.792 1.367 1.00 2.11 H new ATOM 0 HG2 LYS A 6 13.643 7.594 2.378 1.00 2.53 H new ATOM 0 HG3 LYS A 6 14.369 7.347 0.802 1.00 2.53 H new ATOM 0 HD2 LYS A 6 15.438 9.346 1.031 1.00 3.18 H new ATOM 0 HD3 LYS A 6 13.882 10.147 0.951 1.00 3.18 H new ATOM 0 HE2 LYS A 6 13.672 10.293 3.297 1.00 3.92 H new ATOM 0 HE3 LYS A 6 14.695 8.899 3.583 1.00 3.92 H new ATOM 0 HZ1 LYS A 6 15.844 10.957 4.138 1.00 4.53 H new ATOM 0 HZ2 LYS A 6 16.619 10.191 2.835 1.00 4.53 H new ATOM 0 HZ3 LYS A 6 15.628 11.542 2.558 1.00 4.53 H new ATOM 109 N THR A 7 10.449 6.098 -1.035 1.00 0.97 N ATOM 110 CA THR A 7 9.049 5.838 -1.472 1.00 0.75 C ATOM 111 C THR A 7 8.082 6.319 -0.376 1.00 0.66 C ATOM 112 O THR A 7 8.503 6.666 0.709 1.00 0.72 O ATOM 113 CB THR A 7 8.880 4.326 -1.749 1.00 0.81 C ATOM 114 OG1 THR A 7 8.178 4.147 -2.970 1.00 1.41 O ATOM 115 CG2 THR A 7 8.117 3.631 -0.613 1.00 1.76 C ATOM 0 H THR A 7 10.959 5.280 -0.702 1.00 0.97 H new ATOM 0 HA THR A 7 8.825 6.382 -2.389 1.00 0.75 H new ATOM 0 HB THR A 7 9.871 3.878 -1.816 1.00 0.81 H new ATOM 0 HG1 THR A 7 8.071 3.189 -3.149 1.00 1.41 H new ATOM 0 HG21 THR A 7 8.015 2.570 -0.839 1.00 1.76 H new ATOM 0 HG22 THR A 7 8.665 3.752 0.321 1.00 1.76 H new ATOM 0 HG23 THR A 7 7.127 4.077 -0.513 1.00 1.76 H new ATOM 123 N PRO A 8 6.814 6.321 -0.698 1.00 0.57 N ATOM 124 CA PRO A 8 5.757 6.748 0.233 1.00 0.52 C ATOM 125 C PRO A 8 5.423 5.606 1.200 1.00 0.51 C ATOM 126 O PRO A 8 5.944 4.517 1.067 1.00 0.57 O ATOM 127 CB PRO A 8 4.573 7.053 -0.690 1.00 0.53 C ATOM 128 CG PRO A 8 4.820 6.262 -1.997 1.00 0.57 C ATOM 129 CD PRO A 8 6.316 5.898 -2.022 1.00 0.59 C ATOM 0 HA PRO A 8 6.035 7.602 0.850 1.00 0.52 H new ATOM 0 HB2 PRO A 8 3.633 6.753 -0.227 1.00 0.53 H new ATOM 0 HB3 PRO A 8 4.503 8.122 -0.891 1.00 0.53 H new ATOM 0 HG2 PRO A 8 4.203 5.364 -2.027 1.00 0.57 H new ATOM 0 HG3 PRO A 8 4.554 6.861 -2.868 1.00 0.57 H new ATOM 0 HD2 PRO A 8 6.463 4.830 -2.180 1.00 0.59 H new ATOM 0 HD3 PRO A 8 6.838 6.414 -2.827 1.00 0.59 H new ATOM 137 N PRO A 9 4.560 5.887 2.141 1.00 0.53 N ATOM 138 CA PRO A 9 4.136 4.893 3.141 1.00 0.61 C ATOM 139 C PRO A 9 3.174 3.880 2.512 1.00 0.58 C ATOM 140 O PRO A 9 2.474 4.178 1.565 1.00 0.72 O ATOM 141 CB PRO A 9 3.446 5.734 4.219 1.00 0.68 C ATOM 142 CG PRO A 9 3.025 7.056 3.536 1.00 0.62 C ATOM 143 CD PRO A 9 3.926 7.213 2.296 1.00 0.55 C ATOM 0 HA PRO A 9 4.961 4.305 3.544 1.00 0.61 H new ATOM 0 HB2 PRO A 9 2.579 5.212 4.623 1.00 0.68 H new ATOM 0 HB3 PRO A 9 4.120 5.925 5.054 1.00 0.68 H new ATOM 0 HG2 PRO A 9 1.973 7.028 3.251 1.00 0.62 H new ATOM 0 HG3 PRO A 9 3.148 7.900 4.215 1.00 0.62 H new ATOM 0 HD2 PRO A 9 3.346 7.483 1.414 1.00 0.55 H new ATOM 0 HD3 PRO A 9 4.670 7.996 2.441 1.00 0.55 H new ATOM 151 N ALA A 10 3.148 2.680 3.028 1.00 0.70 N ATOM 152 CA ALA A 10 2.250 1.633 2.462 1.00 0.72 C ATOM 153 C ALA A 10 0.888 2.237 2.112 1.00 0.52 C ATOM 154 O ALA A 10 0.530 2.354 0.958 1.00 0.53 O ATOM 155 CB ALA A 10 2.059 0.519 3.492 1.00 0.92 C ATOM 0 H ALA A 10 3.714 2.379 3.822 1.00 0.70 H new ATOM 0 HA ALA A 10 2.703 1.229 1.557 1.00 0.72 H new ATOM 0 HB1 ALA A 10 1.403 -0.248 3.081 1.00 0.92 H new ATOM 0 HB2 ALA A 10 3.026 0.078 3.734 1.00 0.92 H new ATOM 0 HB3 ALA A 10 1.612 0.932 4.396 1.00 0.92 H new ATOM 161 N ALA A 11 0.122 2.611 3.098 1.00 0.46 N ATOM 162 CA ALA A 11 -1.221 3.195 2.820 1.00 0.38 C ATOM 163 C ALA A 11 -1.130 4.190 1.661 1.00 0.35 C ATOM 164 O ALA A 11 -1.622 3.939 0.578 1.00 0.47 O ATOM 165 CB ALA A 11 -1.734 3.913 4.070 1.00 0.52 C ATOM 0 H ALA A 11 0.367 2.538 4.085 1.00 0.46 H new ATOM 0 HA ALA A 11 -1.909 2.394 2.549 1.00 0.38 H new ATOM 0 HB1 ALA A 11 -2.716 4.340 3.867 1.00 0.52 H new ATOM 0 HB2 ALA A 11 -1.811 3.202 4.892 1.00 0.52 H new ATOM 0 HB3 ALA A 11 -1.041 4.709 4.342 1.00 0.52 H new ATOM 171 N VAL A 12 -0.511 5.319 1.879 1.00 0.38 N ATOM 172 CA VAL A 12 -0.397 6.332 0.789 1.00 0.41 C ATOM 173 C VAL A 12 -0.053 5.636 -0.529 1.00 0.39 C ATOM 174 O VAL A 12 -0.800 5.694 -1.484 1.00 0.51 O ATOM 175 CB VAL A 12 0.704 7.333 1.138 1.00 0.49 C ATOM 176 CG1 VAL A 12 1.013 8.199 -0.084 1.00 0.63 C ATOM 177 CG2 VAL A 12 0.234 8.226 2.288 1.00 0.58 C ATOM 0 H VAL A 12 -0.079 5.584 2.764 1.00 0.38 H new ATOM 0 HA VAL A 12 -1.347 6.856 0.683 1.00 0.41 H new ATOM 0 HB VAL A 12 1.603 6.794 1.438 1.00 0.49 H new ATOM 0 HG11 VAL A 12 1.798 8.913 0.165 1.00 0.63 H new ATOM 0 HG12 VAL A 12 1.347 7.564 -0.905 1.00 0.63 H new ATOM 0 HG13 VAL A 12 0.115 8.738 -0.384 1.00 0.63 H new ATOM 0 HG21 VAL A 12 1.018 8.940 2.538 1.00 0.58 H new ATOM 0 HG22 VAL A 12 -0.665 8.764 1.987 1.00 0.58 H new ATOM 0 HG23 VAL A 12 0.013 7.610 3.160 1.00 0.58 H new ATOM 187 N LEU A 13 1.073 4.981 -0.593 1.00 0.39 N ATOM 188 CA LEU A 13 1.459 4.286 -1.853 1.00 0.44 C ATOM 189 C LEU A 13 0.315 3.384 -2.307 1.00 0.40 C ATOM 190 O LEU A 13 -0.001 3.298 -3.477 1.00 0.48 O ATOM 191 CB LEU A 13 2.707 3.439 -1.604 1.00 0.53 C ATOM 192 CG LEU A 13 3.354 3.070 -2.939 1.00 0.74 C ATOM 193 CD1 LEU A 13 4.855 2.853 -2.735 1.00 1.24 C ATOM 194 CD2 LEU A 13 2.722 1.782 -3.471 1.00 1.06 C ATOM 0 H LEU A 13 1.742 4.897 0.172 1.00 0.39 H new ATOM 0 HA LEU A 13 1.668 5.025 -2.627 1.00 0.44 H new ATOM 0 HB2 LEU A 13 3.415 3.991 -0.986 1.00 0.53 H new ATOM 0 HB3 LEU A 13 2.441 2.535 -1.055 1.00 0.53 H new ATOM 0 HG LEU A 13 3.197 3.877 -3.655 1.00 0.74 H new ATOM 0 HD11 LEU A 13 5.317 2.590 -3.686 1.00 1.24 H new ATOM 0 HD12 LEU A 13 5.306 3.769 -2.353 1.00 1.24 H new ATOM 0 HD13 LEU A 13 5.012 2.046 -2.020 1.00 1.24 H new ATOM 0 HD21 LEU A 13 3.182 1.517 -4.423 1.00 1.06 H new ATOM 0 HD22 LEU A 13 2.881 0.976 -2.755 1.00 1.06 H new ATOM 0 HD23 LEU A 13 1.652 1.934 -3.615 1.00 1.06 H new ATOM 206 N LEU A 14 -0.307 2.714 -1.385 1.00 0.40 N ATOM 207 CA LEU A 14 -1.436 1.813 -1.744 1.00 0.47 C ATOM 208 C LEU A 14 -2.628 2.655 -2.201 1.00 0.57 C ATOM 209 O LEU A 14 -3.058 2.574 -3.334 1.00 0.64 O ATOM 210 CB LEU A 14 -1.831 0.979 -0.524 1.00 0.63 C ATOM 211 CG LEU A 14 -0.647 0.111 -0.097 1.00 0.79 C ATOM 212 CD1 LEU A 14 -0.781 -0.244 1.385 1.00 1.40 C ATOM 213 CD2 LEU A 14 -0.633 -1.174 -0.929 1.00 1.32 C ATOM 0 H LEU A 14 -0.082 2.750 -0.391 1.00 0.40 H new ATOM 0 HA LEU A 14 -1.131 1.147 -2.551 1.00 0.47 H new ATOM 0 HB2 LEU A 14 -2.131 1.632 0.295 1.00 0.63 H new ATOM 0 HB3 LEU A 14 -2.690 0.351 -0.762 1.00 0.63 H new ATOM 0 HG LEU A 14 0.281 0.659 -0.256 1.00 0.79 H new ATOM 0 HD11 LEU A 14 0.063 -0.863 1.689 1.00 1.40 H new ATOM 0 HD12 LEU A 14 -0.793 0.670 1.978 1.00 1.40 H new ATOM 0 HD13 LEU A 14 -1.709 -0.793 1.545 1.00 1.40 H new ATOM 0 HD21 LEU A 14 0.211 -1.794 -0.626 1.00 1.32 H new ATOM 0 HD22 LEU A 14 -1.562 -1.721 -0.769 1.00 1.32 H new ATOM 0 HD23 LEU A 14 -0.538 -0.923 -1.985 1.00 1.32 H new ATOM 225 N LYS A 15 -3.161 3.469 -1.331 1.00 0.70 N ATOM 226 CA LYS A 15 -4.319 4.318 -1.725 1.00 0.91 C ATOM 227 C LYS A 15 -3.930 5.144 -2.951 1.00 0.94 C ATOM 228 O LYS A 15 -4.753 5.486 -3.775 1.00 1.13 O ATOM 229 CB LYS A 15 -4.685 5.254 -0.571 1.00 1.05 C ATOM 230 CG LYS A 15 -5.819 6.183 -1.007 1.00 1.30 C ATOM 231 CD LYS A 15 -5.256 7.575 -1.301 1.00 1.48 C ATOM 232 CE LYS A 15 -6.114 8.632 -0.604 1.00 1.66 C ATOM 233 NZ LYS A 15 -5.961 9.938 -1.305 1.00 2.19 N ATOM 0 H LYS A 15 -2.845 3.582 -0.368 1.00 0.70 H new ATOM 0 HA LYS A 15 -5.177 3.688 -1.960 1.00 0.91 H new ATOM 0 HB2 LYS A 15 -4.991 4.673 0.299 1.00 1.05 H new ATOM 0 HB3 LYS A 15 -3.815 5.840 -0.274 1.00 1.05 H new ATOM 0 HG2 LYS A 15 -6.310 5.783 -1.894 1.00 1.30 H new ATOM 0 HG3 LYS A 15 -6.575 6.243 -0.224 1.00 1.30 H new ATOM 0 HD2 LYS A 15 -4.225 7.642 -0.954 1.00 1.48 H new ATOM 0 HD3 LYS A 15 -5.243 7.754 -2.376 1.00 1.48 H new ATOM 0 HE2 LYS A 15 -7.160 8.326 -0.607 1.00 1.66 H new ATOM 0 HE3 LYS A 15 -5.813 8.730 0.439 1.00 1.66 H new ATOM 0 HZ1 LYS A 15 -5.932 10.707 -0.605 1.00 2.19 H new ATOM 0 HZ2 LYS A 15 -5.077 9.936 -1.854 1.00 2.19 H new ATOM 0 HZ3 LYS A 15 -6.766 10.084 -1.946 1.00 2.19 H new ATOM 247 N LYS A 16 -2.676 5.467 -3.078 1.00 0.85 N ATOM 248 CA LYS A 16 -2.230 6.261 -4.252 1.00 1.02 C ATOM 249 C LYS A 16 -2.243 5.381 -5.496 1.00 0.97 C ATOM 250 O LYS A 16 -3.099 5.493 -6.351 1.00 1.18 O ATOM 251 CB LYS A 16 -0.813 6.785 -4.009 1.00 1.08 C ATOM 252 CG LYS A 16 -0.353 7.596 -5.221 1.00 1.65 C ATOM 253 CD LYS A 16 0.387 8.849 -4.747 1.00 1.98 C ATOM 254 CE LYS A 16 0.990 9.573 -5.952 1.00 2.63 C ATOM 255 NZ LYS A 16 1.909 10.647 -5.477 1.00 3.19 N ATOM 0 H LYS A 16 -1.940 5.215 -2.419 1.00 0.85 H new ATOM 0 HA LYS A 16 -2.906 7.104 -4.397 1.00 1.02 H new ATOM 0 HB2 LYS A 16 -0.792 7.406 -3.114 1.00 1.08 H new ATOM 0 HB3 LYS A 16 -0.131 5.953 -3.835 1.00 1.08 H new ATOM 0 HG2 LYS A 16 0.300 6.991 -5.850 1.00 1.65 H new ATOM 0 HG3 LYS A 16 -1.212 7.877 -5.831 1.00 1.65 H new ATOM 0 HD2 LYS A 16 -0.299 9.511 -4.218 1.00 1.98 H new ATOM 0 HD3 LYS A 16 1.173 8.575 -4.043 1.00 1.98 H new ATOM 0 HE2 LYS A 16 1.533 8.867 -6.580 1.00 2.63 H new ATOM 0 HE3 LYS A 16 0.198 10.002 -6.566 1.00 2.63 H new ATOM 0 HZ1 LYS A 16 2.319 11.140 -6.296 1.00 3.19 H new ATOM 0 HZ2 LYS A 16 1.378 11.326 -4.895 1.00 3.19 H new ATOM 0 HZ3 LYS A 16 2.671 10.225 -4.909 1.00 3.19 H new ATOM 269 N ALA A 17 -1.287 4.512 -5.598 1.00 0.78 N ATOM 270 CA ALA A 17 -1.206 3.610 -6.783 1.00 0.82 C ATOM 271 C ALA A 17 -2.436 2.697 -6.841 1.00 0.76 C ATOM 272 O ALA A 17 -3.173 2.697 -7.806 1.00 0.95 O ATOM 273 CB ALA A 17 0.057 2.752 -6.681 1.00 0.85 C ATOM 0 H ALA A 17 -0.548 4.382 -4.907 1.00 0.78 H new ATOM 0 HA ALA A 17 -1.172 4.216 -7.688 1.00 0.82 H new ATOM 0 HB1 ALA A 17 0.119 2.092 -7.546 1.00 0.85 H new ATOM 0 HB2 ALA A 17 0.935 3.398 -6.654 1.00 0.85 H new ATOM 0 HB3 ALA A 17 0.018 2.154 -5.770 1.00 0.85 H new ATOM 279 N ALA A 18 -2.655 1.908 -5.824 1.00 0.67 N ATOM 280 CA ALA A 18 -3.827 0.985 -5.834 1.00 0.86 C ATOM 281 C ALA A 18 -5.117 1.764 -5.567 1.00 1.11 C ATOM 282 O ALA A 18 -6.163 1.446 -6.096 1.00 1.51 O ATOM 283 CB ALA A 18 -3.646 -0.077 -4.749 1.00 1.00 C ATOM 0 H ALA A 18 -2.074 1.862 -4.987 1.00 0.67 H new ATOM 0 HA ALA A 18 -3.894 0.509 -6.812 1.00 0.86 H new ATOM 0 HB1 ALA A 18 -4.501 -0.752 -4.755 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.735 -0.643 -4.943 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -3.572 0.407 -3.775 1.00 1.00 H new ATOM 289 N GLY A 19 -5.057 2.779 -4.750 1.00 0.97 N ATOM 290 CA GLY A 19 -6.288 3.567 -4.455 1.00 1.29 C ATOM 291 C GLY A 19 -6.467 4.662 -5.509 1.00 0.81 C ATOM 292 O GLY A 19 -7.176 5.625 -5.300 1.00 1.08 O ATOM 0 H GLY A 19 -4.212 3.097 -4.275 1.00 0.97 H new ATOM 0 HA2 GLY A 19 -7.158 2.911 -4.448 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -6.217 4.013 -3.463 1.00 1.29 H new ATOM 296 N ILE A 20 -5.830 4.520 -6.640 1.00 0.91 N ATOM 297 CA ILE A 20 -5.963 5.547 -7.711 1.00 1.59 C ATOM 298 C ILE A 20 -5.872 6.949 -7.103 1.00 1.84 C ATOM 299 O ILE A 20 -5.523 7.117 -5.952 1.00 1.93 O ATOM 300 CB ILE A 20 -7.308 5.367 -8.424 1.00 1.88 C ATOM 301 CG1 ILE A 20 -8.448 5.855 -7.526 1.00 1.64 C ATOM 302 CG2 ILE A 20 -7.517 3.885 -8.738 1.00 2.29 C ATOM 303 CD1 ILE A 20 -9.725 5.987 -8.357 1.00 2.37 C ATOM 0 H ILE A 20 -5.221 3.734 -6.868 1.00 0.91 H new ATOM 0 HA ILE A 20 -5.155 5.426 -8.433 1.00 1.59 H new ATOM 0 HB ILE A 20 -7.304 5.948 -9.346 1.00 1.88 H new ATOM 0 HG12 ILE A 20 -8.605 5.155 -6.706 1.00 1.64 H new ATOM 0 HG13 ILE A 20 -8.190 6.816 -7.080 1.00 1.64 H new ATOM 0 HG21 ILE A 20 -8.473 3.752 -9.245 1.00 2.29 H new ATOM 0 HG22 ILE A 20 -6.712 3.533 -9.383 1.00 2.29 H new ATOM 0 HG23 ILE A 20 -7.516 3.313 -7.810 1.00 2.29 H new ATOM 0 HD11 ILE A 20 -10.539 6.334 -7.721 1.00 2.37 H new ATOM 0 HD12 ILE A 20 -9.563 6.704 -9.162 1.00 2.37 H new ATOM 0 HD13 ILE A 20 -9.985 5.017 -8.781 1.00 2.37 H new ATOM 315 N GLU A 21 -6.172 7.957 -7.874 1.00 2.34 N ATOM 316 CA GLU A 21 -6.093 9.350 -7.347 1.00 2.79 C ATOM 317 C GLU A 21 -7.038 9.510 -6.153 1.00 2.40 C ATOM 318 O GLU A 21 -6.647 9.973 -5.100 1.00 2.70 O ATOM 319 CB GLU A 21 -6.489 10.337 -8.449 1.00 3.57 C ATOM 320 CG GLU A 21 -7.835 9.926 -9.049 1.00 3.75 C ATOM 321 CD GLU A 21 -7.862 10.285 -10.536 1.00 4.81 C ATOM 322 OE1 GLU A 21 -6.807 10.271 -11.148 1.00 5.51 O ATOM 323 OE2 GLU A 21 -8.938 10.566 -11.038 1.00 5.17 O ATOM 0 H GLU A 21 -6.469 7.877 -8.847 1.00 2.34 H new ATOM 0 HA GLU A 21 -5.072 9.553 -7.025 1.00 2.79 H new ATOM 0 HB2 GLU A 21 -6.554 11.346 -8.041 1.00 3.57 H new ATOM 0 HB3 GLU A 21 -5.724 10.356 -9.226 1.00 3.57 H new ATOM 0 HG2 GLU A 21 -7.991 8.855 -8.920 1.00 3.75 H new ATOM 0 HG3 GLU A 21 -8.647 10.432 -8.527 1.00 3.75 H new ATOM 330 N SER A 22 -8.279 9.134 -6.307 1.00 2.19 N ATOM 331 CA SER A 22 -9.245 9.271 -5.179 1.00 2.38 C ATOM 332 C SER A 22 -10.671 9.160 -5.716 1.00 2.08 C ATOM 333 O SER A 22 -11.506 10.008 -5.474 1.00 2.41 O ATOM 334 CB SER A 22 -9.063 10.632 -4.515 1.00 3.28 C ATOM 335 OG SER A 22 -8.173 10.505 -3.414 1.00 3.96 O ATOM 0 H SER A 22 -8.665 8.738 -7.164 1.00 2.19 H new ATOM 0 HA SER A 22 -9.065 8.481 -4.449 1.00 2.38 H new ATOM 0 HB2 SER A 22 -8.669 11.350 -5.234 1.00 3.28 H new ATOM 0 HB3 SER A 22 -10.026 11.015 -4.176 1.00 3.28 H new ATOM 0 HG SER A 22 -7.248 10.554 -3.734 1.00 3.96 H new ATOM 341 N GLY A 23 -10.951 8.120 -6.445 1.00 2.23 N ATOM 342 CA GLY A 23 -12.320 7.943 -7.008 1.00 2.75 C ATOM 343 C GLY A 23 -13.364 8.295 -5.947 1.00 2.41 C ATOM 344 O GLY A 23 -14.468 8.696 -6.258 1.00 2.80 O ATOM 0 H GLY A 23 -10.289 7.380 -6.678 1.00 2.23 H new ATOM 0 HA2 GLY A 23 -12.449 8.579 -7.884 1.00 2.75 H new ATOM 0 HA3 GLY A 23 -12.457 6.914 -7.339 1.00 2.75 H new ATOM 348 N SER A 24 -13.026 8.150 -4.694 1.00 2.05 N ATOM 349 CA SER A 24 -14.004 8.478 -3.620 1.00 2.25 C ATOM 350 C SER A 24 -13.840 9.935 -3.199 1.00 2.89 C ATOM 351 O SER A 24 -14.615 10.791 -3.575 1.00 3.58 O ATOM 352 CB SER A 24 -13.764 7.577 -2.408 1.00 2.12 C ATOM 353 OG SER A 24 -12.778 6.606 -2.731 1.00 2.47 O ATOM 0 H SER A 24 -12.117 7.819 -4.369 1.00 2.05 H new ATOM 0 HA SER A 24 -15.013 8.318 -4.000 1.00 2.25 H new ATOM 0 HB2 SER A 24 -13.438 8.174 -1.556 1.00 2.12 H new ATOM 0 HB3 SER A 24 -14.692 7.086 -2.116 1.00 2.12 H new ATOM 0 HG SER A 24 -12.170 6.492 -1.971 1.00 2.47 H new ATOM 359 N GLY A 25 -12.849 10.221 -2.403 1.00 3.22 N ATOM 360 CA GLY A 25 -12.653 11.620 -1.939 1.00 4.32 C ATOM 361 C GLY A 25 -13.472 11.828 -0.665 1.00 4.85 C ATOM 362 O GLY A 25 -13.030 12.450 0.280 1.00 5.82 O ATOM 0 H GLY A 25 -12.167 9.547 -2.054 1.00 3.22 H new ATOM 0 HA2 GLY A 25 -11.597 11.811 -1.746 1.00 4.32 H new ATOM 0 HA3 GLY A 25 -12.968 12.323 -2.711 1.00 4.32 H new ATOM 366 N GLU A 26 -14.662 11.292 -0.633 1.00 4.30 N ATOM 367 CA GLU A 26 -15.520 11.428 0.573 1.00 4.78 C ATOM 368 C GLU A 26 -16.292 10.120 0.765 1.00 4.02 C ATOM 369 O GLU A 26 -17.506 10.107 0.729 1.00 4.19 O ATOM 370 CB GLU A 26 -16.505 12.583 0.377 1.00 5.68 C ATOM 371 CG GLU A 26 -17.536 12.573 1.507 1.00 6.49 C ATOM 372 CD GLU A 26 -18.928 12.320 0.925 1.00 7.32 C ATOM 373 OE1 GLU A 26 -19.342 13.091 0.074 1.00 7.72 O ATOM 374 OE2 GLU A 26 -19.557 11.361 1.340 1.00 7.77 O ATOM 0 H GLU A 26 -15.078 10.762 -1.399 1.00 4.30 H new ATOM 0 HA GLU A 26 -14.906 11.634 1.450 1.00 4.78 H new ATOM 0 HB2 GLU A 26 -15.970 13.533 0.367 1.00 5.68 H new ATOM 0 HB3 GLU A 26 -17.005 12.488 -0.587 1.00 5.68 H new ATOM 0 HG2 GLU A 26 -17.288 11.799 2.233 1.00 6.49 H new ATOM 0 HG3 GLU A 26 -17.519 13.525 2.037 1.00 6.49 H new ATOM 381 N PRO A 27 -15.554 9.053 0.950 1.00 3.51 N ATOM 382 CA PRO A 27 -16.132 7.711 1.136 1.00 3.04 C ATOM 383 C PRO A 27 -16.698 7.556 2.549 1.00 3.43 C ATOM 384 O PRO A 27 -16.940 8.524 3.243 1.00 4.12 O ATOM 385 CB PRO A 27 -14.941 6.773 0.919 1.00 3.12 C ATOM 386 CG PRO A 27 -13.670 7.614 1.181 1.00 3.76 C ATOM 387 CD PRO A 27 -14.076 9.088 0.999 1.00 3.86 C ATOM 0 HA PRO A 27 -16.960 7.507 0.457 1.00 3.04 H new ATOM 0 HB2 PRO A 27 -14.989 5.921 1.597 1.00 3.12 H new ATOM 0 HB3 PRO A 27 -14.941 6.374 -0.095 1.00 3.12 H new ATOM 0 HG2 PRO A 27 -13.289 7.438 2.187 1.00 3.76 H new ATOM 0 HG3 PRO A 27 -12.875 7.342 0.487 1.00 3.76 H new ATOM 0 HD2 PRO A 27 -13.719 9.704 1.824 1.00 3.86 H new ATOM 0 HD3 PRO A 27 -13.657 9.507 0.084 1.00 3.86 H new ATOM 395 N ASN A 28 -16.911 6.343 2.978 1.00 3.28 N ATOM 396 CA ASN A 28 -17.462 6.120 4.345 1.00 3.70 C ATOM 397 C ASN A 28 -17.225 4.665 4.755 1.00 3.33 C ATOM 398 O ASN A 28 -16.591 4.387 5.754 1.00 3.57 O ATOM 399 CB ASN A 28 -18.964 6.412 4.344 1.00 4.22 C ATOM 400 CG ASN A 28 -19.256 7.585 5.281 1.00 4.76 C ATOM 401 OD1 ASN A 28 -18.403 8.418 5.515 1.00 5.06 O ATOM 402 ND2 ASN A 28 -20.435 7.687 5.831 1.00 5.33 N ATOM 0 H ASN A 28 -16.727 5.496 2.441 1.00 3.28 H new ATOM 0 HA ASN A 28 -16.965 6.784 5.052 1.00 3.70 H new ATOM 0 HB2 ASN A 28 -19.299 6.648 3.334 1.00 4.22 H new ATOM 0 HB3 ASN A 28 -19.517 5.529 4.665 1.00 4.22 H new ATOM 0 HD21 ASN A 28 -20.640 8.466 6.457 1.00 5.33 H new ATOM 0 HD22 ASN A 28 -21.151 6.988 5.635 1.00 5.33 H new ATOM 409 N ARG A 29 -17.726 3.735 3.990 1.00 3.01 N ATOM 410 CA ARG A 29 -17.527 2.299 4.335 1.00 2.92 C ATOM 411 C ARG A 29 -16.071 1.912 4.071 1.00 2.18 C ATOM 412 O ARG A 29 -15.615 0.861 4.476 1.00 2.28 O ATOM 413 CB ARG A 29 -18.450 1.434 3.475 1.00 3.61 C ATOM 414 CG ARG A 29 -19.830 1.350 4.130 1.00 4.39 C ATOM 415 CD ARG A 29 -19.775 0.383 5.314 1.00 5.12 C ATOM 416 NE ARG A 29 -20.904 0.670 6.243 1.00 5.64 N ATOM 417 CZ ARG A 29 -21.799 -0.247 6.485 1.00 6.31 C ATOM 418 NH1 ARG A 29 -22.207 -1.031 5.524 1.00 6.79 N ATOM 419 NH2 ARG A 29 -22.288 -0.382 7.688 1.00 6.77 N ATOM 0 H ARG A 29 -18.265 3.907 3.141 1.00 3.01 H new ATOM 0 HA ARG A 29 -17.761 2.141 5.388 1.00 2.92 H new ATOM 0 HB2 ARG A 29 -18.536 1.859 2.475 1.00 3.61 H new ATOM 0 HB3 ARG A 29 -18.028 0.435 3.362 1.00 3.61 H new ATOM 0 HG2 ARG A 29 -20.145 2.337 4.468 1.00 4.39 H new ATOM 0 HG3 ARG A 29 -20.569 1.011 3.404 1.00 4.39 H new ATOM 0 HD2 ARG A 29 -19.834 -0.646 4.960 1.00 5.12 H new ATOM 0 HD3 ARG A 29 -18.824 0.486 5.837 1.00 5.12 H new ATOM 0 HE ARG A 29 -20.977 1.584 6.690 1.00 5.64 H new ATOM 0 HH11 ARG A 29 -21.826 -0.926 4.584 1.00 6.79 H new ATOM 0 HH12 ARG A 29 -22.907 -1.748 5.713 1.00 6.79 H new ATOM 0 HH21 ARG A 29 -21.970 0.230 8.439 1.00 6.77 H new ATOM 0 HH22 ARG A 29 -22.988 -1.100 7.876 1.00 6.77 H new ATOM 433 N ASN A 30 -15.338 2.754 3.395 1.00 1.85 N ATOM 434 CA ASN A 30 -13.911 2.437 3.105 1.00 1.79 C ATOM 435 C ASN A 30 -13.835 1.406 1.977 1.00 1.53 C ATOM 436 O ASN A 30 -14.822 0.804 1.605 1.00 2.16 O ATOM 437 CB ASN A 30 -13.250 1.867 4.362 1.00 2.65 C ATOM 438 CG ASN A 30 -13.748 2.628 5.592 1.00 3.19 C ATOM 439 OD1 ASN A 30 -14.132 3.776 5.495 1.00 3.63 O ATOM 440 ND2 ASN A 30 -13.757 2.033 6.753 1.00 3.78 N ATOM 0 H ASN A 30 -15.666 3.648 3.031 1.00 1.85 H new ATOM 0 HA ASN A 30 -13.392 3.346 2.801 1.00 1.79 H new ATOM 0 HB2 ASN A 30 -13.483 0.807 4.459 1.00 2.65 H new ATOM 0 HB3 ASN A 30 -12.166 1.950 4.285 1.00 2.65 H new ATOM 0 HD21 ASN A 30 -14.087 2.532 7.579 1.00 3.78 H new ATOM 0 HD22 ASN A 30 -13.434 1.069 6.834 1.00 3.78 H new ATOM 447 N LYS A 31 -12.668 1.200 1.430 1.00 1.36 N ATOM 448 CA LYS A 31 -12.523 0.209 0.326 1.00 1.18 C ATOM 449 C LYS A 31 -13.054 0.811 -0.976 1.00 1.11 C ATOM 450 O LYS A 31 -14.234 0.754 -1.261 1.00 1.23 O ATOM 451 CB LYS A 31 -13.317 -1.054 0.665 1.00 1.32 C ATOM 452 CG LYS A 31 -13.163 -1.371 2.154 1.00 1.74 C ATOM 453 CD LYS A 31 -13.363 -2.871 2.381 1.00 2.03 C ATOM 454 CE LYS A 31 -14.720 -3.110 3.045 1.00 2.69 C ATOM 455 NZ LYS A 31 -15.585 -3.910 2.132 1.00 3.10 N ATOM 0 H LYS A 31 -11.807 1.676 1.700 1.00 1.36 H new ATOM 0 HA LYS A 31 -11.470 -0.045 0.205 1.00 1.18 H new ATOM 0 HB2 LYS A 31 -14.369 -0.911 0.420 1.00 1.32 H new ATOM 0 HB3 LYS A 31 -12.961 -1.892 0.065 1.00 1.32 H new ATOM 0 HG2 LYS A 31 -12.175 -1.069 2.500 1.00 1.74 H new ATOM 0 HG3 LYS A 31 -13.891 -0.804 2.734 1.00 1.74 H new ATOM 0 HD2 LYS A 31 -13.312 -3.403 1.431 1.00 2.03 H new ATOM 0 HD3 LYS A 31 -12.564 -3.264 3.010 1.00 2.03 H new ATOM 0 HE2 LYS A 31 -14.587 -3.636 3.991 1.00 2.69 H new ATOM 0 HE3 LYS A 31 -15.198 -2.157 3.274 1.00 2.69 H new ATOM 0 HZ1 LYS A 31 -16.508 -4.073 2.583 1.00 3.10 H new ATOM 0 HZ2 LYS A 31 -15.722 -3.392 1.241 1.00 3.10 H new ATOM 0 HZ3 LYS A 31 -15.130 -4.824 1.935 1.00 3.10 H new ATOM 469 N VAL A 32 -12.193 1.388 -1.770 1.00 1.01 N ATOM 470 CA VAL A 32 -12.652 1.992 -3.053 1.00 1.03 C ATOM 471 C VAL A 32 -11.911 1.339 -4.221 1.00 0.87 C ATOM 472 O VAL A 32 -12.032 1.758 -5.355 1.00 0.96 O ATOM 473 CB VAL A 32 -12.364 3.494 -3.045 1.00 1.17 C ATOM 474 CG1 VAL A 32 -13.275 4.183 -2.028 1.00 1.48 C ATOM 475 CG2 VAL A 32 -10.902 3.730 -2.661 1.00 1.10 C ATOM 0 H VAL A 32 -11.193 1.467 -1.586 1.00 1.01 H new ATOM 0 HA VAL A 32 -13.724 1.828 -3.165 1.00 1.03 H new ATOM 0 HB VAL A 32 -12.551 3.905 -4.037 1.00 1.17 H new ATOM 0 HG11 VAL A 32 -13.070 5.253 -2.022 1.00 1.48 H new ATOM 0 HG12 VAL A 32 -14.317 4.015 -2.300 1.00 1.48 H new ATOM 0 HG13 VAL A 32 -13.088 3.772 -1.036 1.00 1.48 H new ATOM 0 HG21 VAL A 32 -10.696 4.800 -2.655 1.00 1.10 H new ATOM 0 HG22 VAL A 32 -10.715 3.319 -1.669 1.00 1.10 H new ATOM 0 HG23 VAL A 32 -10.252 3.239 -3.385 1.00 1.10 H new ATOM 485 N ALA A 33 -11.145 0.318 -3.956 1.00 0.75 N ATOM 486 CA ALA A 33 -10.400 -0.355 -5.056 1.00 0.69 C ATOM 487 C ALA A 33 -9.991 -1.761 -4.615 1.00 0.58 C ATOM 488 O ALA A 33 -9.295 -1.938 -3.634 1.00 0.71 O ATOM 489 CB ALA A 33 -9.148 0.457 -5.394 1.00 0.79 C ATOM 0 H ALA A 33 -11.003 -0.079 -3.027 1.00 0.75 H new ATOM 0 HA ALA A 33 -11.039 -0.424 -5.936 1.00 0.69 H new ATOM 0 HB1 ALA A 33 -8.602 -0.035 -6.199 1.00 0.79 H new ATOM 0 HB2 ALA A 33 -9.439 1.458 -5.711 1.00 0.79 H new ATOM 0 HB3 ALA A 33 -8.510 0.526 -4.513 1.00 0.79 H new ATOM 495 N THR A 34 -10.414 -2.764 -5.334 1.00 0.54 N ATOM 496 CA THR A 34 -10.045 -4.158 -4.960 1.00 0.47 C ATOM 497 C THR A 34 -8.946 -4.658 -5.898 1.00 0.42 C ATOM 498 O THR A 34 -9.210 -5.114 -6.993 1.00 0.66 O ATOM 499 CB THR A 34 -11.272 -5.064 -5.083 1.00 0.57 C ATOM 500 OG1 THR A 34 -12.451 -4.272 -5.031 1.00 0.80 O ATOM 501 CG2 THR A 34 -11.280 -6.073 -3.935 1.00 0.81 C ATOM 0 H THR A 34 -11.000 -2.678 -6.165 1.00 0.54 H new ATOM 0 HA THR A 34 -9.685 -4.176 -3.931 1.00 0.47 H new ATOM 0 HB THR A 34 -11.236 -5.599 -6.032 1.00 0.57 H new ATOM 0 HG1 THR A 34 -13.238 -4.851 -5.111 1.00 0.80 H new ATOM 0 HG21 THR A 34 -12.154 -6.718 -4.023 1.00 0.81 H new ATOM 0 HG22 THR A 34 -10.376 -6.680 -3.978 1.00 0.81 H new ATOM 0 HG23 THR A 34 -11.316 -5.542 -2.984 1.00 0.81 H new ATOM 509 N ILE A 35 -7.715 -4.572 -5.479 1.00 0.29 N ATOM 510 CA ILE A 35 -6.596 -5.038 -6.346 1.00 0.29 C ATOM 511 C ILE A 35 -6.146 -6.425 -5.895 1.00 0.29 C ATOM 512 O ILE A 35 -6.306 -6.796 -4.752 1.00 0.31 O ATOM 513 CB ILE A 35 -5.421 -4.066 -6.226 1.00 0.31 C ATOM 514 CG1 ILE A 35 -5.261 -3.648 -4.762 1.00 0.35 C ATOM 515 CG2 ILE A 35 -5.692 -2.828 -7.082 1.00 0.38 C ATOM 516 CD1 ILE A 35 -3.935 -2.910 -4.581 1.00 0.73 C ATOM 0 H ILE A 35 -7.434 -4.199 -4.572 1.00 0.29 H new ATOM 0 HA ILE A 35 -6.934 -5.081 -7.381 1.00 0.29 H new ATOM 0 HB ILE A 35 -4.508 -4.551 -6.571 1.00 0.31 H new ATOM 0 HG12 ILE A 35 -6.090 -3.006 -4.464 1.00 0.35 H new ATOM 0 HG13 ILE A 35 -5.291 -4.526 -4.117 1.00 0.35 H new ATOM 0 HG21 ILE A 35 -4.854 -2.136 -6.996 1.00 0.38 H new ATOM 0 HG22 ILE A 35 -5.812 -3.125 -8.124 1.00 0.38 H new ATOM 0 HG23 ILE A 35 -6.603 -2.339 -6.737 1.00 0.38 H new ATOM 0 HD11 ILE A 35 -3.823 -2.613 -3.538 1.00 0.73 H new ATOM 0 HD12 ILE A 35 -3.112 -3.567 -4.862 1.00 0.73 H new ATOM 0 HD13 ILE A 35 -3.923 -2.023 -5.214 1.00 0.73 H new ATOM 528 N LYS A 36 -5.572 -7.191 -6.776 1.00 0.33 N ATOM 529 CA LYS A 36 -5.102 -8.544 -6.378 1.00 0.38 C ATOM 530 C LYS A 36 -3.717 -8.415 -5.745 1.00 0.36 C ATOM 531 O LYS A 36 -3.178 -7.332 -5.632 1.00 0.43 O ATOM 532 CB LYS A 36 -5.023 -9.446 -7.612 1.00 0.46 C ATOM 533 CG LYS A 36 -5.657 -10.802 -7.295 1.00 0.73 C ATOM 534 CD LYS A 36 -6.040 -11.505 -8.599 1.00 1.23 C ATOM 535 CE LYS A 36 -7.254 -10.809 -9.217 1.00 1.76 C ATOM 536 NZ LYS A 36 -8.042 -11.796 -10.008 1.00 2.56 N ATOM 0 H LYS A 36 -5.408 -6.940 -7.751 1.00 0.33 H new ATOM 0 HA LYS A 36 -5.798 -8.983 -5.663 1.00 0.38 H new ATOM 0 HB2 LYS A 36 -5.539 -8.979 -8.451 1.00 0.46 H new ATOM 0 HB3 LYS A 36 -3.984 -9.580 -7.912 1.00 0.46 H new ATOM 0 HG2 LYS A 36 -4.958 -11.418 -6.729 1.00 0.73 H new ATOM 0 HG3 LYS A 36 -6.540 -10.665 -6.670 1.00 0.73 H new ATOM 0 HD2 LYS A 36 -5.202 -11.484 -9.296 1.00 1.23 H new ATOM 0 HD3 LYS A 36 -6.268 -12.553 -8.406 1.00 1.23 H new ATOM 0 HE2 LYS A 36 -7.876 -10.375 -8.434 1.00 1.76 H new ATOM 0 HE3 LYS A 36 -6.930 -9.989 -9.858 1.00 1.76 H new ATOM 0 HZ1 LYS A 36 -8.868 -11.324 -10.429 1.00 2.56 H new ATOM 0 HZ2 LYS A 36 -7.446 -12.190 -10.764 1.00 2.56 H new ATOM 0 HZ3 LYS A 36 -8.363 -12.564 -9.384 1.00 2.56 H new ATOM 550 N ARG A 37 -3.132 -9.503 -5.330 1.00 0.38 N ATOM 551 CA ARG A 37 -1.783 -9.421 -4.708 1.00 0.41 C ATOM 552 C ARG A 37 -0.805 -8.796 -5.701 1.00 0.40 C ATOM 553 O ARG A 37 0.264 -8.351 -5.340 1.00 0.41 O ATOM 554 CB ARG A 37 -1.305 -10.825 -4.330 1.00 0.51 C ATOM 555 CG ARG A 37 0.128 -10.751 -3.798 1.00 1.39 C ATOM 556 CD ARG A 37 0.563 -12.133 -3.308 1.00 1.74 C ATOM 557 NE ARG A 37 0.284 -13.145 -4.366 1.00 2.16 N ATOM 558 CZ ARG A 37 0.486 -14.412 -4.126 1.00 2.72 C ATOM 559 NH1 ARG A 37 1.627 -14.809 -3.631 1.00 3.27 N ATOM 560 NH2 ARG A 37 -0.452 -15.282 -4.382 1.00 3.32 N ATOM 0 H ARG A 37 -3.528 -10.441 -5.394 1.00 0.38 H new ATOM 0 HA ARG A 37 -1.833 -8.805 -3.810 1.00 0.41 H new ATOM 0 HB2 ARG A 37 -1.963 -11.253 -3.574 1.00 0.51 H new ATOM 0 HB3 ARG A 37 -1.348 -11.482 -5.199 1.00 0.51 H new ATOM 0 HG2 ARG A 37 0.801 -10.403 -4.582 1.00 1.39 H new ATOM 0 HG3 ARG A 37 0.188 -10.029 -2.983 1.00 1.39 H new ATOM 0 HD2 ARG A 37 1.626 -12.127 -3.066 1.00 1.74 H new ATOM 0 HD3 ARG A 37 0.030 -12.391 -2.393 1.00 1.74 H new ATOM 0 HE ARG A 37 -0.065 -12.848 -5.277 1.00 2.16 H new ATOM 0 HH11 ARG A 37 2.361 -14.129 -3.432 1.00 3.27 H new ATOM 0 HH12 ARG A 37 1.785 -15.799 -3.443 1.00 3.27 H new ATOM 0 HH21 ARG A 37 -1.343 -14.972 -4.770 1.00 3.32 H new ATOM 0 HH22 ARG A 37 -0.294 -16.272 -4.194 1.00 3.32 H new ATOM 574 N ASP A 38 -1.170 -8.763 -6.949 1.00 0.41 N ATOM 575 CA ASP A 38 -0.271 -8.171 -7.983 1.00 0.46 C ATOM 576 C ASP A 38 0.026 -6.707 -7.645 1.00 0.40 C ATOM 577 O ASP A 38 1.082 -6.192 -7.958 1.00 0.42 O ATOM 578 CB ASP A 38 -0.952 -8.248 -9.351 1.00 0.53 C ATOM 579 CG ASP A 38 -0.157 -9.180 -10.266 1.00 1.36 C ATOM 580 OD1 ASP A 38 1.043 -8.989 -10.375 1.00 2.17 O ATOM 581 OD2 ASP A 38 -0.760 -10.070 -10.843 1.00 1.95 O ATOM 0 H ASP A 38 -2.057 -9.122 -7.303 1.00 0.41 H new ATOM 0 HA ASP A 38 0.665 -8.729 -8.004 1.00 0.46 H new ATOM 0 HB2 ASP A 38 -1.973 -8.614 -9.241 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -1.016 -7.254 -9.794 1.00 0.53 H new ATOM 586 N LYS A 39 -0.895 -6.028 -7.017 1.00 0.37 N ATOM 587 CA LYS A 39 -0.661 -4.597 -6.674 1.00 0.35 C ATOM 588 C LYS A 39 0.179 -4.499 -5.406 1.00 0.30 C ATOM 589 O LYS A 39 1.240 -3.908 -5.397 1.00 0.30 O ATOM 590 CB LYS A 39 -1.997 -3.922 -6.417 1.00 0.38 C ATOM 591 CG LYS A 39 -2.486 -3.237 -7.695 1.00 0.51 C ATOM 592 CD LYS A 39 -1.416 -2.264 -8.195 1.00 1.22 C ATOM 593 CE LYS A 39 -2.062 -1.218 -9.106 1.00 1.55 C ATOM 594 NZ LYS A 39 -1.176 -0.964 -10.277 1.00 2.32 N ATOM 0 H LYS A 39 -1.798 -6.402 -6.727 1.00 0.37 H new ATOM 0 HA LYS A 39 -0.141 -4.113 -7.500 1.00 0.35 H new ATOM 0 HB2 LYS A 39 -2.729 -4.658 -6.085 1.00 0.38 H new ATOM 0 HB3 LYS A 39 -1.897 -3.189 -5.616 1.00 0.38 H new ATOM 0 HG2 LYS A 39 -2.701 -3.983 -8.460 1.00 0.51 H new ATOM 0 HG3 LYS A 39 -3.416 -2.703 -7.501 1.00 0.51 H new ATOM 0 HD2 LYS A 39 -0.930 -1.776 -7.350 1.00 1.22 H new ATOM 0 HD3 LYS A 39 -0.642 -2.806 -8.738 1.00 1.22 H new ATOM 0 HE2 LYS A 39 -3.038 -1.567 -9.444 1.00 1.55 H new ATOM 0 HE3 LYS A 39 -2.228 -0.293 -8.554 1.00 1.55 H new ATOM 0 HZ1 LYS A 39 -1.615 -0.253 -10.896 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -0.255 -0.613 -9.946 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -1.039 -1.848 -10.807 1.00 2.32 H new ATOM 608 N VAL A 40 -0.282 -5.081 -4.335 1.00 0.29 N ATOM 609 CA VAL A 40 0.504 -5.021 -3.079 1.00 0.30 C ATOM 610 C VAL A 40 1.793 -5.801 -3.301 1.00 0.32 C ATOM 611 O VAL A 40 2.743 -5.688 -2.551 1.00 0.34 O ATOM 612 CB VAL A 40 -0.295 -5.655 -1.938 1.00 0.38 C ATOM 613 CG1 VAL A 40 0.623 -5.882 -0.736 1.00 0.50 C ATOM 614 CG2 VAL A 40 -1.438 -4.721 -1.537 1.00 0.54 C ATOM 0 H VAL A 40 -1.163 -5.592 -4.278 1.00 0.29 H new ATOM 0 HA VAL A 40 0.724 -3.987 -2.815 1.00 0.30 H new ATOM 0 HB VAL A 40 -0.704 -6.610 -2.268 1.00 0.38 H new ATOM 0 HG11 VAL A 40 0.054 -6.334 0.076 1.00 0.50 H new ATOM 0 HG12 VAL A 40 1.438 -6.547 -1.021 1.00 0.50 H new ATOM 0 HG13 VAL A 40 1.032 -4.927 -0.405 1.00 0.50 H new ATOM 0 HG21 VAL A 40 -2.008 -5.171 -0.724 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -1.029 -3.766 -1.207 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -2.093 -4.559 -2.393 1.00 0.54 H new ATOM 624 N ARG A 41 1.839 -6.576 -4.351 1.00 0.36 N ATOM 625 CA ARG A 41 3.076 -7.346 -4.650 1.00 0.43 C ATOM 626 C ARG A 41 4.138 -6.374 -5.160 1.00 0.41 C ATOM 627 O ARG A 41 5.191 -6.220 -4.576 1.00 0.40 O ATOM 628 CB ARG A 41 2.789 -8.398 -5.723 1.00 0.53 C ATOM 629 CG ARG A 41 4.109 -8.970 -6.245 1.00 1.01 C ATOM 630 CD ARG A 41 3.911 -10.435 -6.637 1.00 1.31 C ATOM 631 NE ARG A 41 5.183 -11.182 -6.427 1.00 1.67 N ATOM 632 CZ ARG A 41 5.643 -11.964 -7.365 1.00 2.25 C ATOM 633 NH1 ARG A 41 6.076 -11.454 -8.485 1.00 2.84 N ATOM 634 NH2 ARG A 41 5.670 -13.256 -7.182 1.00 2.90 N ATOM 0 H ARG A 41 1.074 -6.708 -5.012 1.00 0.36 H new ATOM 0 HA ARG A 41 3.426 -7.850 -3.749 1.00 0.43 H new ATOM 0 HB2 ARG A 41 2.173 -9.196 -5.309 1.00 0.53 H new ATOM 0 HB3 ARG A 41 2.225 -7.952 -6.542 1.00 0.53 H new ATOM 0 HG2 ARG A 41 4.451 -8.395 -7.106 1.00 1.01 H new ATOM 0 HG3 ARG A 41 4.881 -8.888 -5.480 1.00 1.01 H new ATOM 0 HD2 ARG A 41 3.114 -10.878 -6.040 1.00 1.31 H new ATOM 0 HD3 ARG A 41 3.604 -10.505 -7.680 1.00 1.31 H new ATOM 0 HE ARG A 41 5.694 -11.082 -5.550 1.00 1.67 H new ATOM 0 HH11 ARG A 41 6.055 -10.444 -8.627 1.00 2.84 H new ATOM 0 HH12 ARG A 41 6.436 -12.065 -9.218 1.00 2.84 H new ATOM 0 HH21 ARG A 41 5.332 -13.654 -6.306 1.00 2.90 H new ATOM 0 HH22 ARG A 41 6.029 -13.868 -7.915 1.00 2.90 H new ATOM 648 N GLU A 42 3.853 -5.702 -6.243 1.00 0.43 N ATOM 649 CA GLU A 42 4.828 -4.720 -6.791 1.00 0.47 C ATOM 650 C GLU A 42 5.024 -3.610 -5.764 1.00 0.40 C ATOM 651 O GLU A 42 6.125 -3.313 -5.346 1.00 0.46 O ATOM 652 CB GLU A 42 4.280 -4.126 -8.091 1.00 0.58 C ATOM 653 CG GLU A 42 4.867 -4.881 -9.285 1.00 1.12 C ATOM 654 CD GLU A 42 6.392 -4.775 -9.258 1.00 1.49 C ATOM 655 OE1 GLU A 42 6.888 -3.768 -8.780 1.00 2.06 O ATOM 656 OE2 GLU A 42 7.039 -5.702 -9.716 1.00 2.06 O ATOM 0 H GLU A 42 2.985 -5.792 -6.771 1.00 0.43 H new ATOM 0 HA GLU A 42 5.779 -5.211 -6.998 1.00 0.47 H new ATOM 0 HB2 GLU A 42 3.192 -4.193 -8.104 1.00 0.58 H new ATOM 0 HB3 GLU A 42 4.535 -3.068 -8.155 1.00 0.58 H new ATOM 0 HG2 GLU A 42 4.564 -5.928 -9.251 1.00 1.12 H new ATOM 0 HG3 GLU A 42 4.480 -4.467 -10.216 1.00 1.12 H new ATOM 663 N ILE A 43 3.947 -3.005 -5.351 1.00 0.35 N ATOM 664 CA ILE A 43 4.029 -1.917 -4.343 1.00 0.34 C ATOM 665 C ILE A 43 5.018 -2.317 -3.246 1.00 0.27 C ATOM 666 O ILE A 43 5.932 -1.585 -2.925 1.00 0.35 O ATOM 667 CB ILE A 43 2.635 -1.706 -3.746 1.00 0.39 C ATOM 668 CG1 ILE A 43 1.785 -0.891 -4.723 1.00 0.58 C ATOM 669 CG2 ILE A 43 2.738 -0.957 -2.413 1.00 0.44 C ATOM 670 CD1 ILE A 43 0.430 -0.578 -4.086 1.00 1.18 C ATOM 0 H ILE A 43 3.004 -3.221 -5.673 1.00 0.35 H new ATOM 0 HA ILE A 43 4.374 -0.992 -4.806 1.00 0.34 H new ATOM 0 HB ILE A 43 2.171 -2.677 -3.572 1.00 0.39 H new ATOM 0 HG12 ILE A 43 2.299 0.035 -4.983 1.00 0.58 H new ATOM 0 HG13 ILE A 43 1.643 -1.448 -5.649 1.00 0.58 H new ATOM 0 HG21 ILE A 43 1.740 -0.813 -1.998 1.00 0.44 H new ATOM 0 HG22 ILE A 43 3.341 -1.538 -1.715 1.00 0.44 H new ATOM 0 HG23 ILE A 43 3.207 0.014 -2.576 1.00 0.44 H new ATOM 0 HD11 ILE A 43 -0.174 0.003 -4.783 1.00 1.18 H new ATOM 0 HD12 ILE A 43 -0.084 -1.509 -3.848 1.00 1.18 H new ATOM 0 HD13 ILE A 43 0.582 -0.004 -3.172 1.00 1.18 H new ATOM 682 N ALA A 44 4.846 -3.476 -2.672 1.00 0.25 N ATOM 683 CA ALA A 44 5.782 -3.917 -1.603 1.00 0.33 C ATOM 684 C ALA A 44 7.191 -4.013 -2.187 1.00 0.35 C ATOM 685 O ALA A 44 8.167 -3.700 -1.535 1.00 0.42 O ATOM 686 CB ALA A 44 5.351 -5.288 -1.078 1.00 0.42 C ATOM 0 H ALA A 44 4.100 -4.134 -2.897 1.00 0.25 H new ATOM 0 HA ALA A 44 5.770 -3.200 -0.783 1.00 0.33 H new ATOM 0 HB1 ALA A 44 6.037 -5.610 -0.295 1.00 0.42 H new ATOM 0 HB2 ALA A 44 4.342 -5.221 -0.671 1.00 0.42 H new ATOM 0 HB3 ALA A 44 5.366 -6.011 -1.894 1.00 0.42 H new ATOM 692 N GLU A 45 7.304 -4.439 -3.416 1.00 0.40 N ATOM 693 CA GLU A 45 8.649 -4.550 -4.046 1.00 0.52 C ATOM 694 C GLU A 45 9.305 -3.172 -4.093 1.00 0.49 C ATOM 695 O GLU A 45 10.463 -3.009 -3.764 1.00 0.56 O ATOM 696 CB GLU A 45 8.504 -5.097 -5.468 1.00 0.67 C ATOM 697 CG GLU A 45 9.040 -6.529 -5.521 1.00 1.00 C ATOM 698 CD GLU A 45 9.921 -6.699 -6.760 1.00 1.60 C ATOM 699 OE1 GLU A 45 9.691 -5.993 -7.728 1.00 2.25 O ATOM 700 OE2 GLU A 45 10.811 -7.533 -6.719 1.00 2.20 O ATOM 0 H GLU A 45 6.522 -4.715 -4.010 1.00 0.40 H new ATOM 0 HA GLU A 45 9.270 -5.227 -3.459 1.00 0.52 H new ATOM 0 HB2 GLU A 45 7.457 -5.078 -5.771 1.00 0.67 H new ATOM 0 HB3 GLU A 45 9.051 -4.467 -6.169 1.00 0.67 H new ATOM 0 HG2 GLU A 45 9.614 -6.747 -4.621 1.00 1.00 H new ATOM 0 HG3 GLU A 45 8.212 -7.238 -5.550 1.00 1.00 H new ATOM 707 N LEU A 46 8.569 -2.181 -4.501 1.00 0.44 N ATOM 708 CA LEU A 46 9.139 -0.805 -4.573 1.00 0.49 C ATOM 709 C LEU A 46 9.472 -0.318 -3.162 1.00 0.43 C ATOM 710 O LEU A 46 10.594 0.043 -2.867 1.00 0.47 O ATOM 711 CB LEU A 46 8.118 0.140 -5.208 1.00 0.60 C ATOM 712 CG LEU A 46 8.410 0.278 -6.703 1.00 1.00 C ATOM 713 CD1 LEU A 46 7.450 1.297 -7.319 1.00 1.74 C ATOM 714 CD2 LEU A 46 9.851 0.754 -6.898 1.00 1.50 C ATOM 0 H LEU A 46 7.594 -2.262 -4.789 1.00 0.44 H new ATOM 0 HA LEU A 46 10.045 -0.820 -5.178 1.00 0.49 H new ATOM 0 HB2 LEU A 46 7.109 -0.244 -5.058 1.00 0.60 H new ATOM 0 HB3 LEU A 46 8.162 1.117 -4.726 1.00 0.60 H new ATOM 0 HG LEU A 46 8.276 -0.688 -7.190 1.00 1.00 H new ATOM 0 HD11 LEU A 46 7.658 1.395 -8.384 1.00 1.74 H new ATOM 0 HD12 LEU A 46 6.423 0.960 -7.180 1.00 1.74 H new ATOM 0 HD13 LEU A 46 7.584 2.263 -6.833 1.00 1.74 H new ATOM 0 HD21 LEU A 46 10.061 0.853 -7.963 1.00 1.50 H new ATOM 0 HD22 LEU A 46 9.984 1.720 -6.411 1.00 1.50 H new ATOM 0 HD23 LEU A 46 10.536 0.029 -6.459 1.00 1.50 H new ATOM 726 N LYS A 47 8.502 -0.298 -2.292 1.00 0.43 N ATOM 727 CA LYS A 47 8.751 0.166 -0.899 1.00 0.47 C ATOM 728 C LYS A 47 9.447 -0.938 -0.091 1.00 0.49 C ATOM 729 O LYS A 47 9.642 -0.815 1.100 1.00 0.68 O ATOM 730 CB LYS A 47 7.417 0.519 -0.239 1.00 0.56 C ATOM 731 CG LYS A 47 7.635 0.786 1.251 1.00 1.60 C ATOM 732 CD LYS A 47 6.743 1.945 1.699 1.00 2.08 C ATOM 733 CE LYS A 47 7.553 2.904 2.573 1.00 2.82 C ATOM 734 NZ LYS A 47 6.833 3.135 3.857 1.00 3.46 N ATOM 0 H LYS A 47 7.543 -0.584 -2.487 1.00 0.43 H new ATOM 0 HA LYS A 47 9.395 1.045 -0.924 1.00 0.47 H new ATOM 0 HB2 LYS A 47 6.985 1.398 -0.717 1.00 0.56 H new ATOM 0 HB3 LYS A 47 6.707 -0.297 -0.372 1.00 0.56 H new ATOM 0 HG2 LYS A 47 7.404 -0.109 1.829 1.00 1.60 H new ATOM 0 HG3 LYS A 47 8.682 1.025 1.439 1.00 1.60 H new ATOM 0 HD2 LYS A 47 6.350 2.472 0.830 1.00 2.08 H new ATOM 0 HD3 LYS A 47 5.886 1.565 2.255 1.00 2.08 H new ATOM 0 HE2 LYS A 47 8.542 2.488 2.768 1.00 2.82 H new ATOM 0 HE3 LYS A 47 7.702 3.850 2.052 1.00 2.82 H new ATOM 0 HZ1 LYS A 47 6.528 4.128 3.910 1.00 3.46 H new ATOM 0 HZ2 LYS A 47 6.000 2.514 3.904 1.00 3.46 H new ATOM 0 HZ3 LYS A 47 7.468 2.924 4.654 1.00 3.46 H new ATOM 748 N MET A 48 9.814 -2.021 -0.722 1.00 0.57 N ATOM 749 CA MET A 48 10.481 -3.129 0.027 1.00 0.69 C ATOM 750 C MET A 48 11.896 -2.711 0.441 1.00 0.61 C ATOM 751 O MET A 48 12.221 -2.722 1.612 1.00 0.84 O ATOM 752 CB MET A 48 10.553 -4.375 -0.858 1.00 0.97 C ATOM 753 CG MET A 48 9.667 -5.473 -0.267 1.00 0.98 C ATOM 754 SD MET A 48 10.610 -7.014 -0.155 1.00 1.37 S ATOM 755 CE MET A 48 10.417 -7.269 1.626 1.00 1.42 C ATOM 0 H MET A 48 9.682 -2.188 -1.720 1.00 0.57 H new ATOM 0 HA MET A 48 9.901 -3.350 0.923 1.00 0.69 H new ATOM 0 HB2 MET A 48 10.226 -4.135 -1.870 1.00 0.97 H new ATOM 0 HB3 MET A 48 11.583 -4.724 -0.930 1.00 0.97 H new ATOM 0 HG2 MET A 48 9.314 -5.178 0.721 1.00 0.98 H new ATOM 0 HG3 MET A 48 8.785 -5.618 -0.891 1.00 0.98 H new ATOM 0 HE1 MET A 48 10.932 -8.184 1.920 1.00 1.42 H new ATOM 0 HE2 MET A 48 10.845 -6.423 2.163 1.00 1.42 H new ATOM 0 HE3 MET A 48 9.358 -7.354 1.869 1.00 1.42 H new ATOM 765 N PRO A 49 12.698 -2.348 -0.528 1.00 0.78 N ATOM 766 CA PRO A 49 14.084 -1.915 -0.281 1.00 0.79 C ATOM 767 C PRO A 49 14.092 -0.521 0.350 1.00 1.01 C ATOM 768 O PRO A 49 14.532 0.443 -0.245 1.00 1.47 O ATOM 769 CB PRO A 49 14.718 -1.909 -1.675 1.00 1.12 C ATOM 770 CG PRO A 49 13.549 -1.798 -2.680 1.00 1.52 C ATOM 771 CD PRO A 49 12.299 -2.325 -1.950 1.00 1.31 C ATOM 0 HA PRO A 49 14.626 -2.560 0.410 1.00 0.79 H new ATOM 0 HB2 PRO A 49 15.407 -1.072 -1.786 1.00 1.12 H new ATOM 0 HB3 PRO A 49 15.293 -2.819 -1.845 1.00 1.12 H new ATOM 0 HG2 PRO A 49 13.407 -0.765 -2.998 1.00 1.52 H new ATOM 0 HG3 PRO A 49 13.751 -2.383 -3.577 1.00 1.52 H new ATOM 0 HD2 PRO A 49 11.439 -1.676 -2.113 1.00 1.31 H new ATOM 0 HD3 PRO A 49 12.020 -3.318 -2.302 1.00 1.31 H new ATOM 779 N ASP A 50 13.601 -0.418 1.554 1.00 1.21 N ATOM 780 CA ASP A 50 13.560 0.899 2.248 1.00 1.71 C ATOM 781 C ASP A 50 12.541 0.825 3.387 1.00 1.76 C ATOM 782 O ASP A 50 12.615 1.560 4.352 1.00 2.18 O ATOM 783 CB ASP A 50 13.142 1.990 1.259 1.00 2.15 C ATOM 784 CG ASP A 50 14.336 2.901 0.969 1.00 2.74 C ATOM 785 OD1 ASP A 50 14.647 3.724 1.814 1.00 3.19 O ATOM 786 OD2 ASP A 50 14.920 2.760 -0.093 1.00 3.25 O ATOM 0 H ASP A 50 13.223 -1.198 2.092 1.00 1.21 H new ATOM 0 HA ASP A 50 14.546 1.137 2.646 1.00 1.71 H new ATOM 0 HB2 ASP A 50 12.782 1.539 0.334 1.00 2.15 H new ATOM 0 HB3 ASP A 50 12.318 2.573 1.671 1.00 2.15 H new ATOM 791 N LEU A 51 11.589 -0.063 3.279 1.00 1.39 N ATOM 792 CA LEU A 51 10.560 -0.197 4.348 1.00 1.44 C ATOM 793 C LEU A 51 11.086 -1.123 5.447 1.00 1.51 C ATOM 794 O LEU A 51 12.051 -1.837 5.261 1.00 1.68 O ATOM 795 CB LEU A 51 9.284 -0.793 3.747 1.00 1.26 C ATOM 796 CG LEU A 51 8.202 -0.889 4.822 1.00 1.74 C ATOM 797 CD1 LEU A 51 7.920 0.503 5.388 1.00 2.33 C ATOM 798 CD2 LEU A 51 6.922 -1.456 4.203 1.00 2.06 C ATOM 0 H LEU A 51 11.480 -0.703 2.493 1.00 1.39 H new ATOM 0 HA LEU A 51 10.342 0.783 4.773 1.00 1.44 H new ATOM 0 HB2 LEU A 51 8.935 -0.172 2.922 1.00 1.26 H new ATOM 0 HB3 LEU A 51 9.491 -1.782 3.337 1.00 1.26 H new ATOM 0 HG LEU A 51 8.542 -1.544 5.624 1.00 1.74 H new ATOM 0 HD11 LEU A 51 7.148 0.435 6.155 1.00 2.33 H new ATOM 0 HD12 LEU A 51 8.832 0.909 5.826 1.00 2.33 H new ATOM 0 HD13 LEU A 51 7.579 1.159 4.587 1.00 2.33 H new ATOM 0 HD21 LEU A 51 6.148 -1.526 4.967 1.00 2.06 H new ATOM 0 HD22 LEU A 51 6.583 -0.799 3.402 1.00 2.06 H new ATOM 0 HD23 LEU A 51 7.122 -2.448 3.798 1.00 2.06 H new ATOM 810 N ASN A 52 10.458 -1.118 6.591 1.00 1.60 N ATOM 811 CA ASN A 52 10.922 -2.001 7.698 1.00 1.75 C ATOM 812 C ASN A 52 10.283 -3.383 7.548 1.00 1.60 C ATOM 813 O ASN A 52 10.305 -4.190 8.457 1.00 2.06 O ATOM 814 CB ASN A 52 10.512 -1.392 9.041 1.00 2.00 C ATOM 815 CG ASN A 52 11.582 -1.702 10.090 1.00 2.66 C ATOM 816 OD1 ASN A 52 12.713 -1.991 9.754 1.00 3.20 O ATOM 817 ND2 ASN A 52 11.270 -1.654 11.356 1.00 3.23 N ATOM 0 H ASN A 52 9.645 -0.541 6.807 1.00 1.60 H new ATOM 0 HA ASN A 52 12.007 -2.096 7.658 1.00 1.75 H new ATOM 0 HB2 ASN A 52 10.388 -0.314 8.941 1.00 2.00 H new ATOM 0 HB3 ASN A 52 9.550 -1.796 9.357 1.00 2.00 H new ATOM 0 HD21 ASN A 52 11.976 -1.859 12.063 1.00 3.23 H new ATOM 0 HD22 ASN A 52 10.320 -1.411 11.638 1.00 3.23 H new ATOM 824 N ALA A 53 9.714 -3.664 6.407 1.00 1.26 N ATOM 825 CA ALA A 53 9.075 -4.993 6.199 1.00 1.11 C ATOM 826 C ALA A 53 9.987 -6.090 6.750 1.00 1.23 C ATOM 827 O ALA A 53 11.168 -5.885 6.954 1.00 1.53 O ATOM 828 CB ALA A 53 8.850 -5.221 4.703 1.00 1.03 C ATOM 0 H ALA A 53 9.665 -3.029 5.610 1.00 1.26 H new ATOM 0 HA ALA A 53 8.118 -5.021 6.720 1.00 1.11 H new ATOM 0 HB1 ALA A 53 8.382 -6.194 4.549 1.00 1.03 H new ATOM 0 HB2 ALA A 53 8.200 -4.440 4.310 1.00 1.03 H new ATOM 0 HB3 ALA A 53 9.807 -5.193 4.183 1.00 1.03 H new ATOM 834 N ALA A 54 9.451 -7.255 6.992 1.00 1.18 N ATOM 835 CA ALA A 54 10.289 -8.364 7.529 1.00 1.39 C ATOM 836 C ALA A 54 10.412 -9.468 6.476 1.00 1.38 C ATOM 837 O ALA A 54 11.105 -10.448 6.669 1.00 1.80 O ATOM 838 CB ALA A 54 9.635 -8.933 8.789 1.00 1.46 C ATOM 0 H ALA A 54 8.469 -7.487 6.841 1.00 1.18 H new ATOM 0 HA ALA A 54 11.281 -7.983 7.774 1.00 1.39 H new ATOM 0 HB1 ALA A 54 10.248 -9.744 9.182 1.00 1.46 H new ATOM 0 HB2 ALA A 54 9.547 -8.148 9.540 1.00 1.46 H new ATOM 0 HB3 ALA A 54 8.643 -9.313 8.544 1.00 1.46 H new ATOM 844 N SER A 55 9.746 -9.320 5.363 1.00 1.20 N ATOM 845 CA SER A 55 9.825 -10.360 4.301 1.00 1.22 C ATOM 846 C SER A 55 8.677 -10.161 3.311 1.00 1.03 C ATOM 847 O SER A 55 7.716 -9.472 3.591 1.00 1.14 O ATOM 848 CB SER A 55 9.717 -11.747 4.936 1.00 1.37 C ATOM 849 OG SER A 55 10.945 -12.441 4.761 1.00 1.86 O ATOM 0 H SER A 55 9.150 -8.522 5.144 1.00 1.20 H new ATOM 0 HA SER A 55 10.777 -10.275 3.777 1.00 1.22 H new ATOM 0 HB2 SER A 55 9.485 -11.657 5.997 1.00 1.37 H new ATOM 0 HB3 SER A 55 8.901 -12.307 4.478 1.00 1.37 H new ATOM 0 HG SER A 55 11.625 -12.056 5.352 1.00 1.86 H new ATOM 855 N ILE A 56 8.767 -10.759 2.154 1.00 1.03 N ATOM 856 CA ILE A 56 7.680 -10.603 1.147 1.00 0.92 C ATOM 857 C ILE A 56 6.322 -10.734 1.840 1.00 0.81 C ATOM 858 O ILE A 56 5.619 -9.763 2.037 1.00 0.77 O ATOM 859 CB ILE A 56 7.815 -11.690 0.079 1.00 1.13 C ATOM 860 CG1 ILE A 56 9.154 -11.529 -0.644 1.00 1.30 C ATOM 861 CG2 ILE A 56 6.673 -11.558 -0.930 1.00 1.11 C ATOM 862 CD1 ILE A 56 9.160 -10.211 -1.421 1.00 1.08 C ATOM 0 H ILE A 56 9.547 -11.349 1.863 1.00 1.03 H new ATOM 0 HA ILE A 56 7.756 -9.622 0.678 1.00 0.92 H new ATOM 0 HB ILE A 56 7.771 -12.671 0.551 1.00 1.13 H new ATOM 0 HG12 ILE A 56 9.972 -11.542 0.076 1.00 1.30 H new ATOM 0 HG13 ILE A 56 9.315 -12.365 -1.324 1.00 1.30 H new ATOM 0 HG21 ILE A 56 6.769 -12.332 -1.691 1.00 1.11 H new ATOM 0 HG22 ILE A 56 5.718 -11.671 -0.416 1.00 1.11 H new ATOM 0 HG23 ILE A 56 6.717 -10.577 -1.403 1.00 1.11 H new ATOM 0 HD11 ILE A 56 10.114 -10.097 -1.936 1.00 1.08 H new ATOM 0 HD12 ILE A 56 8.351 -10.216 -2.152 1.00 1.08 H new ATOM 0 HD13 ILE A 56 9.019 -9.380 -0.729 1.00 1.08 H new ATOM 874 N GLU A 57 5.948 -11.927 2.213 1.00 0.82 N ATOM 875 CA GLU A 57 4.636 -12.117 2.894 1.00 0.79 C ATOM 876 C GLU A 57 4.537 -11.159 4.083 1.00 0.70 C ATOM 877 O GLU A 57 3.465 -10.725 4.455 1.00 0.67 O ATOM 878 CB GLU A 57 4.524 -13.560 3.391 1.00 0.89 C ATOM 879 CG GLU A 57 3.518 -14.321 2.525 1.00 1.52 C ATOM 880 CD GLU A 57 3.474 -15.787 2.961 1.00 2.01 C ATOM 881 OE1 GLU A 57 4.534 -16.379 3.086 1.00 2.69 O ATOM 882 OE2 GLU A 57 2.383 -16.292 3.163 1.00 2.39 O ATOM 0 H GLU A 57 6.494 -12.778 2.076 1.00 0.82 H new ATOM 0 HA GLU A 57 3.828 -11.911 2.192 1.00 0.79 H new ATOM 0 HB2 GLU A 57 5.498 -14.047 3.349 1.00 0.89 H new ATOM 0 HB3 GLU A 57 4.206 -13.573 4.433 1.00 0.89 H new ATOM 0 HG2 GLU A 57 2.529 -13.873 2.619 1.00 1.52 H new ATOM 0 HG3 GLU A 57 3.801 -14.251 1.475 1.00 1.52 H new ATOM 889 N ALA A 58 5.648 -10.826 4.682 1.00 0.71 N ATOM 890 CA ALA A 58 5.616 -9.897 5.847 1.00 0.69 C ATOM 891 C ALA A 58 5.181 -8.507 5.378 1.00 0.58 C ATOM 892 O ALA A 58 4.376 -7.851 6.010 1.00 0.53 O ATOM 893 CB ALA A 58 7.012 -9.811 6.469 1.00 0.78 C ATOM 0 H ALA A 58 6.575 -11.157 4.415 1.00 0.71 H new ATOM 0 HA ALA A 58 4.909 -10.268 6.589 1.00 0.69 H new ATOM 0 HB1 ALA A 58 6.989 -9.132 7.321 1.00 0.78 H new ATOM 0 HB2 ALA A 58 7.323 -10.801 6.802 1.00 0.78 H new ATOM 0 HB3 ALA A 58 7.719 -9.439 5.727 1.00 0.78 H new ATOM 899 N ALA A 59 5.707 -8.051 4.274 1.00 0.57 N ATOM 900 CA ALA A 59 5.321 -6.704 3.768 1.00 0.50 C ATOM 901 C ALA A 59 3.818 -6.677 3.501 1.00 0.41 C ATOM 902 O ALA A 59 3.122 -5.762 3.887 1.00 0.34 O ATOM 903 CB ALA A 59 6.077 -6.407 2.472 1.00 0.56 C ATOM 0 H ALA A 59 6.386 -8.552 3.702 1.00 0.57 H new ATOM 0 HA ALA A 59 5.573 -5.949 4.513 1.00 0.50 H new ATOM 0 HB1 ALA A 59 5.793 -5.421 2.103 1.00 0.56 H new ATOM 0 HB2 ALA A 59 7.150 -6.428 2.664 1.00 0.56 H new ATOM 0 HB3 ALA A 59 5.827 -7.160 1.724 1.00 0.56 H new ATOM 909 N MET A 60 3.320 -7.683 2.847 1.00 0.49 N ATOM 910 CA MET A 60 1.862 -7.738 2.547 1.00 0.48 C ATOM 911 C MET A 60 1.077 -7.716 3.859 1.00 0.44 C ATOM 912 O MET A 60 0.002 -7.157 3.940 1.00 0.45 O ATOM 913 CB MET A 60 1.547 -9.028 1.786 1.00 0.65 C ATOM 914 CG MET A 60 0.270 -8.838 0.965 1.00 1.18 C ATOM 915 SD MET A 60 -0.799 -10.284 1.168 1.00 1.69 S ATOM 916 CE MET A 60 -0.252 -11.180 -0.305 1.00 1.81 C ATOM 0 H MET A 60 3.861 -8.476 2.504 1.00 0.49 H new ATOM 0 HA MET A 60 1.580 -6.880 1.937 1.00 0.48 H new ATOM 0 HB2 MET A 60 2.378 -9.288 1.130 1.00 0.65 H new ATOM 0 HB3 MET A 60 1.422 -9.854 2.486 1.00 0.65 H new ATOM 0 HG2 MET A 60 -0.253 -7.938 1.289 1.00 1.18 H new ATOM 0 HG3 MET A 60 0.519 -8.701 -0.087 1.00 1.18 H new ATOM 0 HE1 MET A 60 -0.290 -12.252 -0.113 1.00 1.81 H new ATOM 0 HE2 MET A 60 -0.906 -10.938 -1.142 1.00 1.81 H new ATOM 0 HE3 MET A 60 0.770 -10.891 -0.548 1.00 1.81 H new ATOM 926 N ARG A 61 1.609 -8.315 4.889 1.00 0.49 N ATOM 927 CA ARG A 61 0.893 -8.318 6.195 1.00 0.53 C ATOM 928 C ARG A 61 0.674 -6.873 6.645 1.00 0.46 C ATOM 929 O ARG A 61 -0.443 -6.411 6.761 1.00 0.50 O ATOM 930 CB ARG A 61 1.734 -9.057 7.238 1.00 0.63 C ATOM 931 CG ARG A 61 0.842 -10.018 8.027 1.00 0.99 C ATOM 932 CD ARG A 61 1.710 -11.071 8.718 1.00 1.62 C ATOM 933 NE ARG A 61 0.895 -12.290 8.983 1.00 2.17 N ATOM 934 CZ ARG A 61 0.396 -12.495 10.172 1.00 2.75 C ATOM 935 NH1 ARG A 61 -0.737 -11.944 10.508 1.00 3.20 N ATOM 936 NH2 ARG A 61 1.032 -13.253 11.023 1.00 3.42 N ATOM 0 H ARG A 61 2.506 -8.801 4.883 1.00 0.49 H new ATOM 0 HA ARG A 61 -0.068 -8.821 6.088 1.00 0.53 H new ATOM 0 HB2 ARG A 61 2.537 -9.608 6.749 1.00 0.63 H new ATOM 0 HB3 ARG A 61 2.204 -8.343 7.914 1.00 0.63 H new ATOM 0 HG2 ARG A 61 0.262 -9.467 8.767 1.00 0.99 H new ATOM 0 HG3 ARG A 61 0.129 -10.501 7.358 1.00 0.99 H new ATOM 0 HD2 ARG A 61 2.565 -11.322 8.090 1.00 1.62 H new ATOM 0 HD3 ARG A 61 2.106 -10.675 9.653 1.00 1.62 H new ATOM 0 HE ARG A 61 0.727 -12.964 8.236 1.00 2.17 H new ATOM 0 HH11 ARG A 61 -1.234 -11.353 9.842 1.00 3.20 H new ATOM 0 HH12 ARG A 61 -1.126 -12.104 11.437 1.00 3.20 H new ATOM 0 HH21 ARG A 61 1.918 -13.684 10.759 1.00 3.42 H new ATOM 0 HH22 ARG A 61 0.643 -13.414 11.952 1.00 3.42 H new ATOM 950 N MET A 62 1.735 -6.154 6.892 1.00 0.44 N ATOM 951 CA MET A 62 1.588 -4.736 7.325 1.00 0.49 C ATOM 952 C MET A 62 1.077 -3.902 6.148 1.00 0.45 C ATOM 953 O MET A 62 0.367 -2.932 6.323 1.00 0.65 O ATOM 954 CB MET A 62 2.945 -4.198 7.782 1.00 0.58 C ATOM 955 CG MET A 62 2.888 -3.870 9.275 1.00 1.31 C ATOM 956 SD MET A 62 4.355 -4.539 10.097 1.00 1.83 S ATOM 957 CE MET A 62 5.586 -3.585 9.176 1.00 1.47 C ATOM 0 H MET A 62 2.696 -6.487 6.813 1.00 0.44 H new ATOM 0 HA MET A 62 0.880 -4.676 8.152 1.00 0.49 H new ATOM 0 HB2 MET A 62 3.724 -4.936 7.591 1.00 0.58 H new ATOM 0 HB3 MET A 62 3.205 -3.306 7.213 1.00 0.58 H new ATOM 0 HG2 MET A 62 2.838 -2.791 9.419 1.00 1.31 H new ATOM 0 HG3 MET A 62 1.986 -4.293 9.717 1.00 1.31 H new ATOM 0 HE1 MET A 62 6.498 -3.501 9.767 1.00 1.47 H new ATOM 0 HE2 MET A 62 5.808 -4.089 8.235 1.00 1.47 H new ATOM 0 HE3 MET A 62 5.195 -2.589 8.970 1.00 1.47 H new ATOM 967 N ILE A 63 1.434 -4.275 4.949 1.00 0.31 N ATOM 968 CA ILE A 63 0.972 -3.509 3.758 1.00 0.29 C ATOM 969 C ILE A 63 -0.545 -3.667 3.611 1.00 0.27 C ATOM 970 O ILE A 63 -1.262 -2.708 3.407 1.00 0.28 O ATOM 971 CB ILE A 63 1.675 -4.044 2.505 1.00 0.33 C ATOM 972 CG1 ILE A 63 3.118 -3.536 2.476 1.00 0.41 C ATOM 973 CG2 ILE A 63 0.944 -3.556 1.251 1.00 0.40 C ATOM 974 CD1 ILE A 63 3.123 -2.022 2.263 1.00 0.60 C ATOM 0 H ILE A 63 2.027 -5.079 4.743 1.00 0.31 H new ATOM 0 HA ILE A 63 1.214 -2.453 3.882 1.00 0.29 H new ATOM 0 HB ILE A 63 1.667 -5.134 2.527 1.00 0.33 H new ATOM 0 HG12 ILE A 63 3.621 -3.784 3.411 1.00 0.41 H new ATOM 0 HG13 ILE A 63 3.672 -4.028 1.676 1.00 0.41 H new ATOM 0 HG21 ILE A 63 1.448 -3.939 0.364 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -0.085 -3.915 1.267 1.00 0.40 H new ATOM 0 HG23 ILE A 63 0.948 -2.466 1.228 1.00 0.40 H new ATOM 0 HD11 ILE A 63 4.151 -1.661 2.242 1.00 0.60 H new ATOM 0 HD12 ILE A 63 2.637 -1.786 1.317 1.00 0.60 H new ATOM 0 HD13 ILE A 63 2.585 -1.538 3.078 1.00 0.60 H new ATOM 986 N GLU A 64 -1.038 -4.871 3.715 1.00 0.32 N ATOM 987 CA GLU A 64 -2.506 -5.089 3.582 1.00 0.36 C ATOM 988 C GLU A 64 -3.237 -4.343 4.701 1.00 0.35 C ATOM 989 O GLU A 64 -4.011 -3.440 4.455 1.00 0.38 O ATOM 990 CB GLU A 64 -2.810 -6.586 3.684 1.00 0.49 C ATOM 991 CG GLU A 64 -4.158 -6.879 3.022 1.00 0.92 C ATOM 992 CD GLU A 64 -4.714 -8.199 3.560 1.00 1.41 C ATOM 993 OE1 GLU A 64 -4.978 -8.267 4.749 1.00 2.10 O ATOM 994 OE2 GLU A 64 -4.867 -9.119 2.774 1.00 1.88 O ATOM 0 H GLU A 64 -0.488 -5.713 3.886 1.00 0.32 H new ATOM 0 HA GLU A 64 -2.843 -4.714 2.616 1.00 0.36 H new ATOM 0 HB2 GLU A 64 -2.022 -7.162 3.199 1.00 0.49 H new ATOM 0 HB3 GLU A 64 -2.832 -6.893 4.730 1.00 0.49 H new ATOM 0 HG2 GLU A 64 -4.858 -6.068 3.223 1.00 0.92 H new ATOM 0 HG3 GLU A 64 -4.039 -6.936 1.940 1.00 0.92 H new ATOM 1001 N GLY A 65 -2.997 -4.715 5.929 1.00 0.42 N ATOM 1002 CA GLY A 65 -3.677 -4.027 7.063 1.00 0.48 C ATOM 1003 C GLY A 65 -3.656 -2.516 6.829 1.00 0.44 C ATOM 1004 O GLY A 65 -4.639 -1.832 7.035 1.00 0.55 O ATOM 0 H GLY A 65 -2.360 -5.465 6.196 1.00 0.42 H new ATOM 0 HA2 GLY A 65 -4.705 -4.378 7.151 1.00 0.48 H new ATOM 0 HA3 GLY A 65 -3.177 -4.267 8.001 1.00 0.48 H new ATOM 1008 N THR A 66 -2.543 -1.989 6.397 1.00 0.35 N ATOM 1009 CA THR A 66 -2.460 -0.523 6.147 1.00 0.38 C ATOM 1010 C THR A 66 -3.475 -0.133 5.071 1.00 0.36 C ATOM 1011 O THR A 66 -4.141 0.878 5.168 1.00 0.42 O ATOM 1012 CB THR A 66 -1.049 -0.167 5.674 1.00 0.40 C ATOM 1013 OG1 THR A 66 -0.099 -0.660 6.608 1.00 0.52 O ATOM 1014 CG2 THR A 66 -0.915 1.352 5.561 1.00 0.52 C ATOM 0 H THR A 66 -1.688 -2.511 6.206 1.00 0.35 H new ATOM 0 HA THR A 66 -2.681 0.018 7.067 1.00 0.38 H new ATOM 0 HB THR A 66 -0.868 -0.619 4.699 1.00 0.40 H new ATOM 0 HG1 THR A 66 0.351 -1.445 6.233 1.00 0.52 H new ATOM 0 HG21 THR A 66 0.090 1.605 5.224 1.00 0.52 H new ATOM 0 HG22 THR A 66 -1.644 1.729 4.843 1.00 0.52 H new ATOM 0 HG23 THR A 66 -1.096 1.807 6.535 1.00 0.52 H new ATOM 1022 N ALA A 67 -3.599 -0.930 4.045 1.00 0.31 N ATOM 1023 CA ALA A 67 -4.572 -0.609 2.963 1.00 0.33 C ATOM 1024 C ALA A 67 -5.962 -0.415 3.569 1.00 0.37 C ATOM 1025 O ALA A 67 -6.716 0.443 3.156 1.00 0.37 O ATOM 1026 CB ALA A 67 -4.614 -1.762 1.958 1.00 0.34 C ATOM 0 H ALA A 67 -3.068 -1.790 3.909 1.00 0.31 H new ATOM 0 HA ALA A 67 -4.264 0.306 2.457 1.00 0.33 H new ATOM 0 HB1 ALA A 67 -5.325 -1.529 1.166 1.00 0.34 H new ATOM 0 HB2 ALA A 67 -3.624 -1.904 1.526 1.00 0.34 H new ATOM 0 HB3 ALA A 67 -4.923 -2.676 2.465 1.00 0.34 H new ATOM 1032 N ARG A 68 -6.308 -1.210 4.543 1.00 0.47 N ATOM 1033 CA ARG A 68 -7.651 -1.076 5.175 1.00 0.57 C ATOM 1034 C ARG A 68 -7.797 0.316 5.796 1.00 0.62 C ATOM 1035 O ARG A 68 -8.878 0.724 6.172 1.00 0.67 O ATOM 1036 CB ARG A 68 -7.812 -2.140 6.262 1.00 0.72 C ATOM 1037 CG ARG A 68 -8.584 -3.335 5.699 1.00 1.24 C ATOM 1038 CD ARG A 68 -8.623 -4.455 6.739 1.00 1.75 C ATOM 1039 NE ARG A 68 -9.808 -5.323 6.490 1.00 2.36 N ATOM 1040 CZ ARG A 68 -10.632 -5.597 7.464 1.00 3.04 C ATOM 1041 NH1 ARG A 68 -10.221 -6.283 8.495 1.00 3.62 N ATOM 1042 NH2 ARG A 68 -11.869 -5.184 7.406 1.00 3.65 N ATOM 0 H ARG A 68 -5.719 -1.947 4.929 1.00 0.47 H new ATOM 0 HA ARG A 68 -8.420 -1.212 4.415 1.00 0.57 H new ATOM 0 HB2 ARG A 68 -6.833 -2.461 6.618 1.00 0.72 H new ATOM 0 HB3 ARG A 68 -8.342 -1.723 7.118 1.00 0.72 H new ATOM 0 HG2 ARG A 68 -9.598 -3.034 5.435 1.00 1.24 H new ATOM 0 HG3 ARG A 68 -8.109 -3.690 4.785 1.00 1.24 H new ATOM 0 HD2 ARG A 68 -7.709 -5.046 6.687 1.00 1.75 H new ATOM 0 HD3 ARG A 68 -8.673 -4.032 7.743 1.00 1.75 H new ATOM 0 HE ARG A 68 -9.975 -5.703 5.558 1.00 2.36 H new ATOM 0 HH11 ARG A 68 -9.254 -6.606 8.540 1.00 3.62 H new ATOM 0 HH12 ARG A 68 -10.866 -6.496 9.256 1.00 3.62 H new ATOM 0 HH21 ARG A 68 -12.190 -4.648 6.600 1.00 3.65 H new ATOM 0 HH22 ARG A 68 -12.514 -5.398 8.167 1.00 3.65 H new ATOM 1056 N SER A 69 -6.723 1.050 5.908 1.00 0.67 N ATOM 1057 CA SER A 69 -6.815 2.411 6.506 1.00 0.81 C ATOM 1058 C SER A 69 -7.477 3.356 5.502 1.00 0.73 C ATOM 1059 O SER A 69 -8.018 4.383 5.861 1.00 0.83 O ATOM 1060 CB SER A 69 -5.412 2.920 6.837 1.00 1.01 C ATOM 1061 OG SER A 69 -5.436 3.575 8.099 1.00 1.67 O ATOM 0 H SER A 69 -5.789 0.766 5.612 1.00 0.67 H new ATOM 0 HA SER A 69 -7.408 2.371 7.419 1.00 0.81 H new ATOM 0 HB2 SER A 69 -4.707 2.089 6.859 1.00 1.01 H new ATOM 0 HB3 SER A 69 -5.070 3.608 6.064 1.00 1.01 H new ATOM 0 HG SER A 69 -4.538 3.901 8.315 1.00 1.67 H new ATOM 1067 N MET A 70 -7.444 3.011 4.244 1.00 0.61 N ATOM 1068 CA MET A 70 -8.077 3.879 3.213 1.00 0.65 C ATOM 1069 C MET A 70 -9.153 3.077 2.478 1.00 0.58 C ATOM 1070 O MET A 70 -10.332 3.224 2.730 1.00 0.76 O ATOM 1071 CB MET A 70 -7.016 4.347 2.215 1.00 0.75 C ATOM 1072 CG MET A 70 -5.967 5.190 2.943 1.00 0.79 C ATOM 1073 SD MET A 70 -6.218 6.938 2.546 1.00 1.34 S ATOM 1074 CE MET A 70 -4.471 7.404 2.461 1.00 1.56 C ATOM 0 H MET A 70 -7.005 2.163 3.886 1.00 0.61 H new ATOM 0 HA MET A 70 -8.528 4.749 3.691 1.00 0.65 H new ATOM 0 HB2 MET A 70 -6.542 3.487 1.742 1.00 0.75 H new ATOM 0 HB3 MET A 70 -7.481 4.932 1.421 1.00 0.75 H new ATOM 0 HG2 MET A 70 -6.044 5.036 4.019 1.00 0.79 H new ATOM 0 HG3 MET A 70 -4.965 4.879 2.647 1.00 0.79 H new ATOM 0 HE1 MET A 70 -4.341 8.406 2.871 1.00 1.56 H new ATOM 0 HE2 MET A 70 -3.877 6.696 3.039 1.00 1.56 H new ATOM 0 HE3 MET A 70 -4.141 7.391 1.422 1.00 1.56 H new ATOM 1084 N GLY A 71 -8.753 2.225 1.574 1.00 0.62 N ATOM 1085 CA GLY A 71 -9.752 1.408 0.827 1.00 0.78 C ATOM 1086 C GLY A 71 -9.042 0.548 -0.222 1.00 0.73 C ATOM 1087 O GLY A 71 -9.596 0.232 -1.256 1.00 1.11 O ATOM 0 H GLY A 71 -7.779 2.059 1.320 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -10.304 0.772 1.518 1.00 0.78 H new ATOM 0 HA3 GLY A 71 -10.480 2.060 0.344 1.00 0.78 H new ATOM 1091 N ILE A 72 -7.821 0.164 0.036 1.00 0.48 N ATOM 1092 CA ILE A 72 -7.082 -0.678 -0.946 1.00 0.46 C ATOM 1093 C ILE A 72 -7.308 -2.156 -0.619 1.00 0.43 C ATOM 1094 O ILE A 72 -6.452 -2.815 -0.064 1.00 0.66 O ATOM 1095 CB ILE A 72 -5.589 -0.358 -0.872 1.00 0.47 C ATOM 1096 CG1 ILE A 72 -5.349 1.064 -1.383 1.00 0.64 C ATOM 1097 CG2 ILE A 72 -4.809 -1.349 -1.737 1.00 0.58 C ATOM 1098 CD1 ILE A 72 -5.461 2.051 -0.220 1.00 0.82 C ATOM 0 H ILE A 72 -7.304 0.397 0.884 1.00 0.48 H new ATOM 0 HA ILE A 72 -7.446 -0.469 -1.952 1.00 0.46 H new ATOM 0 HB ILE A 72 -5.251 -0.437 0.161 1.00 0.47 H new ATOM 0 HG12 ILE A 72 -4.362 1.135 -1.841 1.00 0.64 H new ATOM 0 HG13 ILE A 72 -6.077 1.312 -2.155 1.00 0.64 H new ATOM 0 HG21 ILE A 72 -3.745 -1.120 -1.683 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.981 -2.362 -1.374 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -5.145 -1.272 -2.771 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -5.290 3.064 -0.585 1.00 0.82 H new ATOM 0 HD12 ILE A 72 -6.457 1.986 0.217 1.00 0.82 H new ATOM 0 HD13 ILE A 72 -4.716 1.807 0.537 1.00 0.82 H new ATOM 1110 N VAL A 73 -8.454 -2.681 -0.952 1.00 0.32 N ATOM 1111 CA VAL A 73 -8.729 -4.111 -0.654 1.00 0.33 C ATOM 1112 C VAL A 73 -7.734 -4.992 -1.408 1.00 0.30 C ATOM 1113 O VAL A 73 -7.091 -4.562 -2.345 1.00 0.38 O ATOM 1114 CB VAL A 73 -10.153 -4.455 -1.090 1.00 0.42 C ATOM 1115 CG1 VAL A 73 -10.444 -5.923 -0.775 1.00 0.53 C ATOM 1116 CG2 VAL A 73 -11.140 -3.566 -0.331 1.00 0.46 C ATOM 0 H VAL A 73 -9.211 -2.180 -1.418 1.00 0.32 H new ATOM 0 HA VAL A 73 -8.625 -4.286 0.417 1.00 0.33 H new ATOM 0 HB VAL A 73 -10.257 -4.288 -2.162 1.00 0.42 H new ATOM 0 HG11 VAL A 73 -11.460 -6.167 -1.086 1.00 0.53 H new ATOM 0 HG12 VAL A 73 -9.738 -6.557 -1.311 1.00 0.53 H new ATOM 0 HG13 VAL A 73 -10.342 -6.092 0.297 1.00 0.53 H new ATOM 0 HG21 VAL A 73 -12.158 -3.807 -0.638 1.00 0.46 H new ATOM 0 HG22 VAL A 73 -11.034 -3.737 0.740 1.00 0.46 H new ATOM 0 HG23 VAL A 73 -10.932 -2.519 -0.553 1.00 0.46 H new ATOM 1126 N VAL A 74 -7.605 -6.222 -1.002 1.00 0.37 N ATOM 1127 CA VAL A 74 -6.651 -7.139 -1.686 1.00 0.37 C ATOM 1128 C VAL A 74 -7.232 -8.553 -1.711 1.00 0.44 C ATOM 1129 O VAL A 74 -7.405 -9.184 -0.688 1.00 0.54 O ATOM 1130 CB VAL A 74 -5.320 -7.152 -0.933 1.00 0.42 C ATOM 1131 CG1 VAL A 74 -4.186 -7.480 -1.905 1.00 0.51 C ATOM 1132 CG2 VAL A 74 -5.072 -5.776 -0.309 1.00 0.50 C ATOM 0 H VAL A 74 -8.120 -6.634 -0.224 1.00 0.37 H new ATOM 0 HA VAL A 74 -6.487 -6.792 -2.706 1.00 0.37 H new ATOM 0 HB VAL A 74 -5.356 -7.907 -0.148 1.00 0.42 H new ATOM 0 HG11 VAL A 74 -3.238 -7.489 -1.368 1.00 0.51 H new ATOM 0 HG12 VAL A 74 -4.360 -8.460 -2.350 1.00 0.51 H new ATOM 0 HG13 VAL A 74 -4.151 -6.725 -2.691 1.00 0.51 H new ATOM 0 HG21 VAL A 74 -4.123 -5.785 0.228 1.00 0.50 H new ATOM 0 HG22 VAL A 74 -5.037 -5.021 -1.095 1.00 0.50 H new ATOM 0 HG23 VAL A 74 -5.879 -5.540 0.385 1.00 0.50 H new ATOM 1142 N GLU A 75 -7.535 -9.054 -2.876 1.00 0.50 N ATOM 1143 CA GLU A 75 -8.106 -10.427 -2.972 1.00 0.63 C ATOM 1144 C GLU A 75 -7.063 -11.372 -3.571 1.00 0.76 C ATOM 1145 O GLU A 75 -6.221 -10.970 -4.349 1.00 1.15 O ATOM 1146 CB GLU A 75 -9.346 -10.403 -3.869 1.00 0.79 C ATOM 1147 CG GLU A 75 -10.592 -10.173 -3.011 1.00 1.37 C ATOM 1148 CD GLU A 75 -11.842 -10.290 -3.884 1.00 1.78 C ATOM 1149 OE1 GLU A 75 -11.983 -11.302 -4.550 1.00 2.41 O ATOM 1150 OE2 GLU A 75 -12.638 -9.365 -3.873 1.00 2.16 O ATOM 0 H GLU A 75 -7.412 -8.572 -3.766 1.00 0.50 H new ATOM 0 HA GLU A 75 -8.384 -10.775 -1.977 1.00 0.63 H new ATOM 0 HB2 GLU A 75 -9.254 -9.613 -4.614 1.00 0.79 H new ATOM 0 HB3 GLU A 75 -9.434 -11.344 -4.412 1.00 0.79 H new ATOM 0 HG2 GLU A 75 -10.630 -10.904 -2.203 1.00 1.37 H new ATOM 0 HG3 GLU A 75 -10.550 -9.187 -2.547 1.00 1.37 H new ATOM 1157 N ASP A 76 -7.111 -12.627 -3.214 1.00 0.93 N ATOM 1158 CA ASP A 76 -6.121 -13.596 -3.764 1.00 1.11 C ATOM 1159 C ASP A 76 -6.485 -13.931 -5.211 1.00 1.62 C ATOM 1160 O ASP A 76 -7.543 -14.502 -5.418 1.00 2.06 O ATOM 1161 CB ASP A 76 -6.139 -14.875 -2.924 1.00 1.91 C ATOM 1162 CG ASP A 76 -4.745 -15.127 -2.346 1.00 2.46 C ATOM 1163 OD1 ASP A 76 -4.441 -14.554 -1.313 1.00 3.03 O ATOM 1164 OD2 ASP A 76 -4.006 -15.888 -2.947 1.00 3.00 O ATOM 1165 OXT ASP A 76 -5.700 -13.611 -6.088 1.00 2.38 O ATOM 0 H ASP A 76 -7.792 -13.022 -2.566 1.00 0.93 H new ATOM 0 HA ASP A 76 -5.125 -13.155 -3.733 1.00 1.11 H new ATOM 0 HB2 ASP A 76 -6.867 -14.783 -2.118 1.00 1.91 H new ATOM 0 HB3 ASP A 76 -6.448 -15.721 -3.538 1.00 1.91 H new TER 1170 ASP A 76 END