USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) HEADER SIGNALING PROTEIN 27-OCT-00 1G4G TITLE NMR STRUCTURE OF THE FIFTH DOMAIN OF HUMAN BETA2- TITLE 2 GLYCOPROTEIN I COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA2-GLYCOPROTEIN I; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: PICHIA PASTORIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4922 KEYWDS SHORT CONSENSUS REPEAT, SUSHI-DOMAIN, SIGNALING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.HOSHINO,Y.HAGIHARA,I.NISHII,T.YAMAZAKI,H.KATO,Y.GOTO REVDAT 3 24-FEB-09 1G4G 1 VERSN REVDAT 2 28-MAR-01 1G4G 1 JRNL REVDAT 1 15-NOV-00 1G4G 0 JRNL AUTH M.HOSHINO,Y.HAGIHARA,I.NISHII,T.YAMAZAKI,H.KATO, JRNL AUTH 2 Y.GOTO JRNL TITL IDENTIFICATION OF THE PHOSPHOLIPID-BINDING SITE OF JRNL TITL 2 HUMAN BETA(2)-GLYCOPROTEIN I DOMAIN V BY JRNL TITL 3 HETERONUCLEAR MAGNETIC RESONANCE. JRNL REF J.MOL.BIOL. V. 304 927 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 11124037 JRNL DOI 10.1006/JMBI.2000.4243 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.841 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 1402 RESTRAINTS, 1288 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 88 DIHEDRAL ANGLE RESTRAINTS, 26 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS REMARK 4 REMARK 4 1G4G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-OCT-00. REMARK 100 THE RCSB ID CODE IS RCSB012220. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 0.12 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM BETA2-GLYCOPROTEIN I REMARK 210 DOMAIN V U-15N; 20MM NA- REMARK 210 PHOSPHATE BUFFER, PH 6.0; 90% REMARK 210 H2O, 10% D2O; 1MM BETA2- REMARK 210 GLYCOPROTEIN I DOMAIN V U-15N, REMARK 210 13C; 20MM NA-PHOSPHATE BUFFER, REMARK 210 PD 6.0; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, HNCO- REMARK 210 TROSY, HMQC-J, HNHB, HN(CO)HB, REMARK 210 N15-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX, DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.841 REMARK 210 METHOD USED : SIMULATED ANNEALING 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 SER A 4 -178.47 -54.67 REMARK 500 CYS A 5 -145.10 -101.78 REMARK 500 LEU A 7 100.65 -39.65 REMARK 500 LYS A 11 43.13 -148.21 REMARK 500 ASN A 29 51.79 -100.24 REMARK 500 ASP A 58 97.33 -53.60 REMARK 500 PHE A 67 172.65 -55.10 REMARK 500 HIS A 70 -35.87 -160.12 REMARK 500 SER A 71 95.53 46.44 REMARK 500 SER A 72 -164.08 -55.34 REMARK 500 LEU A 73 71.13 57.40 REMARK 500 PHE A 75 -159.58 -106.34 REMARK 500 TRP A 76 94.18 -60.20 REMARK 500 LYS A 77 108.41 -178.87 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 20 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1G4F RELATED DB: PDB REMARK 900 ENSEMBLE OF 20 STRUCTURES DBREF 1G4G A 1 86 UNP P02749 APOH_HUMAN 260 345 SEQADV 1G4G THR A 1 UNP P02749 CYS 260 CONFLICT SEQADV 1G4G LEU A 7 UNP P02749 VAL 266 VARIANT SEQRES 1 A 86 THR LYS ALA SER CYS LYS LEU PRO VAL LYS LYS ALA THR SEQRES 2 A 86 VAL VAL TYR GLN GLY GLU ARG VAL LYS ILE GLN GLU LYS SEQRES 3 A 86 PHE LYS ASN GLY MET LEU HIS GLY ASP LYS VAL SER PHE SEQRES 4 A 86 PHE CYS LYS ASN LYS GLU LYS LYS CYS SER TYR THR GLU SEQRES 5 A 86 ASP ALA GLN CYS ILE ASP GLY THR ILE GLU VAL PRO LYS SEQRES 6 A 86 CYS PHE LYS GLU HIS SER SER LEU ALA PHE TRP LYS THR SEQRES 7 A 86 ASP ALA SER ASP VAL LYS PRO CYS HELIX 1 1 ILE A 23 PHE A 27 1 5 HELIX 2 2 ASP A 79 VAL A 83 5 5 SHEET 1 A 2 THR A 13 VAL A 15 0 SHEET 2 A 2 ARG A 20 LYS A 22 -1 N VAL A 21 O VAL A 14 SHEET 1 B 3 LYS A 36 ASN A 43 0 SHEET 2 B 3 CYS A 48 ILE A 57 -1 O CYS A 48 N ASN A 43 SHEET 3 B 3 THR A 60 ILE A 61 -1 O THR A 60 N ILE A 57 SSBOND *** CYS A 5 CYS A 56 1555 1555 2.02 SSBOND *** CYS A 41 CYS A 66 1555 1555 2.02 SSBOND *** CYS A 48 CYS A 86 1555 1555 2.02 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 13 THR OG1 : rot 120:sc= -0.482 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 SER OG : rot -130:sc= -0.416 USER MOD Single : A 1 THR N :NH3+ -151:sc= -0.259 (180deg=-1.52!) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.127 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 80:sc= 0.539 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0.595 (180deg=0.424) USER MOD Single : A 24 GLN : amide:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl -159:sc= -3.57 (180deg=-5.36!) USER MOD Single : A 33 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -114:sc= 0.142 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.05! K(o=-3!,f=-4.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 130:sc= -0.681 USER MOD Single : A 50 TYR OH : rot -115:sc= 0.426 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 55 GLN : amide:sc= -0.568 K(o=-0.57,f=-2.9!) USER MOD Single : A 60 THR OG1 : rot 76:sc= 0.516 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -6.64! C(o=-12!,f=-6.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0099 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 23.104 -6.820 -8.909 1.00 2.14 N ATOM 2 CA THR A 1 22.991 -5.833 -7.796 1.00 1.61 C ATOM 3 C THR A 1 21.547 -5.770 -7.289 1.00 1.42 C ATOM 4 O THR A 1 20.644 -6.310 -7.894 1.00 2.00 O ATOM 5 CB THR A 1 23.404 -4.495 -8.410 1.00 2.13 C ATOM 6 OG1 THR A 1 22.469 -4.128 -9.415 1.00 2.74 O ATOM 7 CG2 THR A 1 24.798 -4.623 -9.028 1.00 2.72 C ATOM 0 H1 THR A 1 24.063 -7.222 -8.921 1.00 2.14 H new ATOM 0 H2 THR A 1 22.411 -7.582 -8.769 1.00 2.14 H new ATOM 0 H3 THR A 1 22.917 -6.345 -9.815 1.00 2.14 H new ATOM 0 HA THR A 1 23.615 -6.099 -6.943 1.00 1.61 H new ATOM 0 HB THR A 1 23.423 -3.729 -7.634 1.00 2.13 H new ATOM 0 HG1 THR A 1 22.732 -3.270 -9.808 1.00 2.74 H new ATOM 0 HG21 THR A 1 25.091 -3.669 -9.465 1.00 2.72 H new ATOM 0 HG22 THR A 1 25.514 -4.903 -8.256 1.00 2.72 H new ATOM 0 HG23 THR A 1 24.783 -5.388 -9.804 1.00 2.72 H new ATOM 17 N LYS A 2 21.325 -5.113 -6.183 1.00 1.03 N ATOM 18 CA LYS A 2 19.941 -5.017 -5.639 1.00 0.90 C ATOM 19 C LYS A 2 19.697 -3.621 -5.058 1.00 0.85 C ATOM 20 O LYS A 2 19.711 -3.427 -3.859 1.00 0.96 O ATOM 21 CB LYS A 2 19.872 -6.076 -4.538 1.00 1.02 C ATOM 22 CG LYS A 2 20.431 -7.398 -5.066 1.00 1.79 C ATOM 23 CD LYS A 2 20.495 -8.416 -3.926 1.00 2.30 C ATOM 24 CE LYS A 2 21.683 -8.093 -3.018 1.00 2.92 C ATOM 25 NZ LYS A 2 21.494 -8.952 -1.815 1.00 3.45 N ATOM 0 H LYS A 2 22.042 -4.639 -5.633 1.00 1.03 H new ATOM 0 HA LYS A 2 19.184 -5.178 -6.406 1.00 0.90 H new ATOM 0 HB2 LYS A 2 20.442 -5.749 -3.668 1.00 1.02 H new ATOM 0 HB3 LYS A 2 18.841 -6.210 -4.211 1.00 1.02 H new ATOM 0 HG2 LYS A 2 19.800 -7.776 -5.871 1.00 1.79 H new ATOM 0 HG3 LYS A 2 21.425 -7.243 -5.486 1.00 1.79 H new ATOM 0 HD2 LYS A 2 19.569 -8.394 -3.352 1.00 2.30 H new ATOM 0 HD3 LYS A 2 20.596 -9.424 -4.329 1.00 2.30 H new ATOM 0 HE2 LYS A 2 22.629 -8.311 -3.514 1.00 2.92 H new ATOM 0 HE3 LYS A 2 21.699 -7.037 -2.750 1.00 2.92 H new ATOM 0 HZ1 LYS A 2 22.272 -8.786 -1.144 1.00 3.45 H new ATOM 0 HZ2 LYS A 2 20.589 -8.718 -1.360 1.00 3.45 H new ATOM 0 HZ3 LYS A 2 21.490 -9.952 -2.100 1.00 3.45 H new ATOM 39 N ALA A 3 19.473 -2.649 -5.899 1.00 0.77 N ATOM 40 CA ALA A 3 19.228 -1.267 -5.393 1.00 0.76 C ATOM 41 C ALA A 3 17.842 -1.178 -4.748 1.00 0.75 C ATOM 42 O ALA A 3 16.854 -1.596 -5.317 1.00 1.32 O ATOM 43 CB ALA A 3 19.301 -0.373 -6.631 1.00 0.75 C ATOM 0 H ALA A 3 19.449 -2.751 -6.914 1.00 0.77 H new ATOM 0 HA ALA A 3 19.952 -0.971 -4.633 1.00 0.76 H new ATOM 0 HB1 ALA A 3 19.130 0.664 -6.342 1.00 0.75 H new ATOM 0 HB2 ALA A 3 20.286 -0.465 -7.088 1.00 0.75 H new ATOM 0 HB3 ALA A 3 18.539 -0.680 -7.347 1.00 0.75 H new ATOM 49 N SER A 4 17.763 -0.637 -3.563 1.00 0.53 N ATOM 50 CA SER A 4 16.441 -0.520 -2.884 1.00 0.46 C ATOM 51 C SER A 4 15.446 0.213 -3.785 1.00 0.45 C ATOM 52 O SER A 4 15.761 0.588 -4.898 1.00 0.63 O ATOM 53 CB SER A 4 16.716 0.290 -1.618 1.00 0.53 C ATOM 54 OG SER A 4 17.881 1.081 -1.812 1.00 1.48 O ATOM 0 H SER A 4 18.556 -0.271 -3.036 1.00 0.53 H new ATOM 0 HA SER A 4 16.006 -1.493 -2.658 1.00 0.46 H new ATOM 0 HB2 SER A 4 15.863 0.928 -1.388 1.00 0.53 H new ATOM 0 HB3 SER A 4 16.853 -0.378 -0.767 1.00 0.53 H new ATOM 0 HG SER A 4 18.060 1.604 -1.003 1.00 1.48 H new ATOM 60 N CYS A 5 14.246 0.422 -3.316 1.00 0.39 N ATOM 61 CA CYS A 5 13.232 1.132 -4.147 1.00 0.38 C ATOM 62 C CYS A 5 13.100 2.587 -3.690 1.00 0.43 C ATOM 63 O CYS A 5 14.059 3.212 -3.284 1.00 0.61 O ATOM 64 CB CYS A 5 11.924 0.379 -3.909 1.00 0.37 C ATOM 65 SG CYS A 5 12.206 -1.401 -4.081 1.00 0.70 S ATOM 0 H CYS A 5 13.924 0.132 -2.393 1.00 0.39 H new ATOM 0 HA CYS A 5 13.505 1.151 -5.202 1.00 0.38 H new ATOM 0 HB2 CYS A 5 11.541 0.602 -2.913 1.00 0.37 H new ATOM 0 HB3 CYS A 5 11.168 0.708 -4.622 1.00 0.37 H new ATOM 70 N LYS A 6 11.915 3.130 -3.752 1.00 0.49 N ATOM 71 CA LYS A 6 11.714 4.542 -3.320 1.00 0.54 C ATOM 72 C LYS A 6 10.256 4.766 -2.915 1.00 0.52 C ATOM 73 O LYS A 6 9.369 4.789 -3.744 1.00 0.53 O ATOM 74 CB LYS A 6 12.066 5.385 -4.547 1.00 0.62 C ATOM 75 CG LYS A 6 12.745 6.681 -4.098 1.00 1.39 C ATOM 76 CD LYS A 6 12.690 7.706 -5.233 1.00 1.85 C ATOM 77 CE LYS A 6 13.767 8.771 -5.013 1.00 2.49 C ATOM 78 NZ LYS A 6 14.486 8.864 -6.314 1.00 3.31 N ATOM 0 H LYS A 6 11.075 2.655 -4.084 1.00 0.49 H new ATOM 0 HA LYS A 6 12.327 4.803 -2.457 1.00 0.54 H new ATOM 0 HB2 LYS A 6 12.728 4.825 -5.208 1.00 0.62 H new ATOM 0 HB3 LYS A 6 11.165 5.612 -5.116 1.00 0.62 H new ATOM 0 HG2 LYS A 6 12.248 7.076 -3.212 1.00 1.39 H new ATOM 0 HG3 LYS A 6 13.781 6.484 -3.821 1.00 1.39 H new ATOM 0 HD2 LYS A 6 12.844 7.211 -6.192 1.00 1.85 H new ATOM 0 HD3 LYS A 6 11.705 8.172 -5.269 1.00 1.85 H new ATOM 0 HE2 LYS A 6 13.325 9.728 -4.737 1.00 2.49 H new ATOM 0 HE3 LYS A 6 14.444 8.488 -4.207 1.00 2.49 H new ATOM 0 HZ1 LYS A 6 15.241 9.575 -6.243 1.00 3.31 H new ATOM 0 HZ2 LYS A 6 14.902 7.940 -6.548 1.00 3.31 H new ATOM 0 HZ3 LYS A 6 13.818 9.142 -7.061 1.00 3.31 H new ATOM 92 N LEU A 7 10.002 4.926 -1.642 1.00 0.51 N ATOM 93 CA LEU A 7 8.601 5.145 -1.173 1.00 0.51 C ATOM 94 C LEU A 7 7.848 6.068 -2.141 1.00 0.54 C ATOM 95 O LEU A 7 8.016 7.270 -2.099 1.00 0.59 O ATOM 96 CB LEU A 7 8.745 5.812 0.195 1.00 0.54 C ATOM 97 CG LEU A 7 9.698 7.004 0.085 1.00 0.56 C ATOM 98 CD1 LEU A 7 8.991 8.270 0.573 1.00 0.66 C ATOM 99 CD2 LEU A 7 10.935 6.748 0.948 1.00 0.61 C ATOM 0 H LEU A 7 10.707 4.914 -0.905 1.00 0.51 H new ATOM 0 HA LEU A 7 8.035 4.215 -1.121 1.00 0.51 H new ATOM 0 HB2 LEU A 7 7.771 6.144 0.554 1.00 0.54 H new ATOM 0 HB3 LEU A 7 9.125 5.095 0.923 1.00 0.54 H new ATOM 0 HG LEU A 7 9.999 7.133 -0.955 1.00 0.56 H new ATOM 0 HD11 LEU A 7 9.670 9.119 0.495 1.00 0.66 H new ATOM 0 HD12 LEU A 7 8.109 8.453 -0.040 1.00 0.66 H new ATOM 0 HD13 LEU A 7 8.690 8.141 1.613 1.00 0.66 H new ATOM 0 HD21 LEU A 7 11.615 7.597 0.870 1.00 0.61 H new ATOM 0 HD22 LEU A 7 10.633 6.619 1.987 1.00 0.61 H new ATOM 0 HD23 LEU A 7 11.440 5.846 0.602 1.00 0.61 H new ATOM 111 N PRO A 8 7.038 5.477 -2.990 1.00 0.56 N ATOM 112 CA PRO A 8 6.258 6.265 -3.973 1.00 0.63 C ATOM 113 C PRO A 8 5.291 7.212 -3.257 1.00 0.64 C ATOM 114 O PRO A 8 4.917 8.245 -3.778 1.00 0.78 O ATOM 115 CB PRO A 8 5.497 5.183 -4.746 1.00 0.68 C ATOM 116 CG PRO A 8 5.872 3.804 -4.169 1.00 0.63 C ATOM 117 CD PRO A 8 6.858 4.006 -3.010 1.00 0.54 C ATOM 0 HA PRO A 8 6.873 6.898 -4.613 1.00 0.63 H new ATOM 0 HB2 PRO A 8 4.422 5.346 -4.665 1.00 0.68 H new ATOM 0 HB3 PRO A 8 5.747 5.230 -5.806 1.00 0.68 H new ATOM 0 HG2 PRO A 8 4.979 3.285 -3.819 1.00 0.63 H new ATOM 0 HG3 PRO A 8 6.321 3.180 -4.942 1.00 0.63 H new ATOM 0 HD2 PRO A 8 6.457 3.634 -2.067 1.00 0.54 H new ATOM 0 HD3 PRO A 8 7.800 3.485 -3.183 1.00 0.54 H new ATOM 125 N VAL A 9 4.882 6.869 -2.066 1.00 0.55 N ATOM 126 CA VAL A 9 3.938 7.749 -1.319 1.00 0.57 C ATOM 127 C VAL A 9 4.481 8.035 0.086 1.00 0.60 C ATOM 128 O VAL A 9 5.499 7.506 0.487 1.00 1.00 O ATOM 129 CB VAL A 9 2.635 6.957 -1.238 1.00 0.55 C ATOM 130 CG1 VAL A 9 1.495 7.888 -0.820 1.00 0.60 C ATOM 131 CG2 VAL A 9 2.320 6.352 -2.608 1.00 0.60 C ATOM 0 H VAL A 9 5.160 6.018 -1.578 1.00 0.55 H new ATOM 0 HA VAL A 9 3.798 8.713 -1.809 1.00 0.57 H new ATOM 0 HB VAL A 9 2.741 6.160 -0.502 1.00 0.55 H new ATOM 0 HG11 VAL A 9 0.565 7.322 -0.762 1.00 0.60 H new ATOM 0 HG12 VAL A 9 1.717 8.320 0.156 1.00 0.60 H new ATOM 0 HG13 VAL A 9 1.389 8.686 -1.555 1.00 0.60 H new ATOM 0 HG21 VAL A 9 1.390 5.786 -2.551 1.00 0.60 H new ATOM 0 HG22 VAL A 9 2.215 7.150 -3.343 1.00 0.60 H new ATOM 0 HG23 VAL A 9 3.131 5.688 -2.908 1.00 0.60 H new ATOM 141 N LYS A 10 3.809 8.866 0.834 1.00 0.55 N ATOM 142 CA LYS A 10 4.287 9.184 2.210 1.00 0.55 C ATOM 143 C LYS A 10 3.328 8.602 3.252 1.00 0.47 C ATOM 144 O LYS A 10 3.519 8.757 4.441 1.00 0.54 O ATOM 145 CB LYS A 10 4.296 10.711 2.283 1.00 0.67 C ATOM 146 CG LYS A 10 5.687 11.194 2.702 1.00 1.40 C ATOM 147 CD LYS A 10 5.746 12.720 2.612 1.00 1.75 C ATOM 148 CE LYS A 10 5.378 13.163 1.194 1.00 2.50 C ATOM 149 NZ LYS A 10 6.096 14.453 0.995 1.00 3.05 N ATOM 0 H LYS A 10 2.950 9.339 0.553 1.00 0.55 H new ATOM 0 HA LYS A 10 5.270 8.760 2.413 1.00 0.55 H new ATOM 0 HB2 LYS A 10 4.029 11.134 1.314 1.00 0.67 H new ATOM 0 HB3 LYS A 10 3.549 11.056 2.998 1.00 0.67 H new ATOM 0 HG2 LYS A 10 5.905 10.870 3.720 1.00 1.40 H new ATOM 0 HG3 LYS A 10 6.447 10.751 2.058 1.00 1.40 H new ATOM 0 HD2 LYS A 10 5.059 13.164 3.333 1.00 1.75 H new ATOM 0 HD3 LYS A 10 6.746 13.071 2.866 1.00 1.75 H new ATOM 0 HE2 LYS A 10 5.686 12.422 0.456 1.00 2.50 H new ATOM 0 HE3 LYS A 10 4.301 13.290 1.087 1.00 2.50 H new ATOM 0 HZ1 LYS A 10 5.893 14.820 0.043 1.00 3.05 H new ATOM 0 HZ2 LYS A 10 5.777 15.141 1.707 1.00 3.05 H new ATOM 0 HZ3 LYS A 10 7.120 14.300 1.096 1.00 3.05 H new ATOM 163 N LYS A 11 2.296 7.934 2.814 1.00 0.43 N ATOM 164 CA LYS A 11 1.325 7.344 3.780 1.00 0.43 C ATOM 165 C LYS A 11 0.731 6.053 3.209 1.00 0.39 C ATOM 166 O LYS A 11 -0.456 5.810 3.304 1.00 0.42 O ATOM 167 CB LYS A 11 0.238 8.406 3.948 1.00 0.54 C ATOM 168 CG LYS A 11 0.746 9.514 4.872 1.00 1.51 C ATOM 169 CD LYS A 11 -0.228 10.695 4.836 1.00 1.79 C ATOM 170 CE LYS A 11 -0.373 11.282 6.241 1.00 2.55 C ATOM 171 NZ LYS A 11 -1.675 12.004 6.223 1.00 2.82 N ATOM 0 H LYS A 11 2.083 7.771 1.830 1.00 0.43 H new ATOM 0 HA LYS A 11 1.792 7.086 4.730 1.00 0.43 H new ATOM 0 HB2 LYS A 11 -0.032 8.822 2.977 1.00 0.54 H new ATOM 0 HB3 LYS A 11 -0.664 7.956 4.364 1.00 0.54 H new ATOM 0 HG2 LYS A 11 0.841 9.138 5.891 1.00 1.51 H new ATOM 0 HG3 LYS A 11 1.738 9.838 4.558 1.00 1.51 H new ATOM 0 HD2 LYS A 11 0.135 11.458 4.148 1.00 1.79 H new ATOM 0 HD3 LYS A 11 -1.199 10.367 4.466 1.00 1.79 H new ATOM 0 HE2 LYS A 11 -0.366 10.499 6.999 1.00 2.55 H new ATOM 0 HE3 LYS A 11 0.450 11.958 6.474 1.00 2.55 H new ATOM 0 HZ1 LYS A 11 -1.846 12.435 7.154 1.00 2.82 H new ATOM 0 HZ2 LYS A 11 -1.649 12.748 5.497 1.00 2.82 H new ATOM 0 HZ3 LYS A 11 -2.440 11.334 6.006 1.00 2.82 H new ATOM 185 N ALA A 12 1.547 5.223 2.619 1.00 0.36 N ATOM 186 CA ALA A 12 1.028 3.950 2.042 1.00 0.36 C ATOM 187 C ALA A 12 1.078 2.835 3.091 1.00 0.30 C ATOM 188 O ALA A 12 2.108 2.568 3.677 1.00 0.36 O ATOM 189 CB ALA A 12 1.964 3.632 0.877 1.00 0.40 C ATOM 0 H ALA A 12 2.550 5.371 2.511 1.00 0.36 H new ATOM 0 HA ALA A 12 -0.009 4.036 1.719 1.00 0.36 H new ATOM 0 HB1 ALA A 12 1.647 2.705 0.398 1.00 0.40 H new ATOM 0 HB2 ALA A 12 1.931 4.445 0.151 1.00 0.40 H new ATOM 0 HB3 ALA A 12 2.982 3.519 1.249 1.00 0.40 H new ATOM 195 N THR A 13 -0.027 2.182 3.330 1.00 0.30 N ATOM 196 CA THR A 13 -0.040 1.085 4.340 1.00 0.27 C ATOM 197 C THR A 13 -0.130 -0.274 3.641 1.00 0.26 C ATOM 198 O THR A 13 -1.142 -0.621 3.065 1.00 0.35 O ATOM 199 CB THR A 13 -1.291 1.338 5.184 1.00 0.33 C ATOM 200 OG1 THR A 13 -1.497 2.737 5.312 1.00 0.55 O ATOM 201 CG2 THR A 13 -1.108 0.717 6.570 1.00 0.50 C ATOM 0 H THR A 13 -0.920 2.360 2.870 1.00 0.30 H new ATOM 0 HA THR A 13 0.865 1.071 4.947 1.00 0.27 H new ATOM 0 HB THR A 13 -2.156 0.886 4.699 1.00 0.33 H new ATOM 0 HG1 THR A 13 -2.369 2.975 4.933 1.00 0.55 H new ATOM 0 HG21 THR A 13 -2.000 0.898 7.170 1.00 0.50 H new ATOM 0 HG22 THR A 13 -0.950 -0.357 6.470 1.00 0.50 H new ATOM 0 HG23 THR A 13 -0.244 1.167 7.059 1.00 0.50 H new ATOM 209 N VAL A 14 0.922 -1.047 3.686 1.00 0.25 N ATOM 210 CA VAL A 14 0.895 -2.382 3.023 1.00 0.27 C ATOM 211 C VAL A 14 1.021 -3.494 4.067 1.00 0.28 C ATOM 212 O VAL A 14 1.103 -3.240 5.252 1.00 0.33 O ATOM 213 CB VAL A 14 2.104 -2.383 2.089 1.00 0.31 C ATOM 214 CG1 VAL A 14 2.043 -1.162 1.171 1.00 0.73 C ATOM 215 CG2 VAL A 14 3.389 -2.333 2.919 1.00 0.63 C ATOM 0 H VAL A 14 1.798 -0.812 4.153 1.00 0.25 H new ATOM 0 HA VAL A 14 -0.036 -2.558 2.485 1.00 0.27 H new ATOM 0 HB VAL A 14 2.095 -3.291 1.486 1.00 0.31 H new ATOM 0 HG11 VAL A 14 2.906 -1.164 0.505 1.00 0.73 H new ATOM 0 HG12 VAL A 14 1.128 -1.197 0.579 1.00 0.73 H new ATOM 0 HG13 VAL A 14 2.051 -0.253 1.773 1.00 0.73 H new ATOM 0 HG21 VAL A 14 4.252 -2.334 2.254 1.00 0.63 H new ATOM 0 HG22 VAL A 14 3.397 -1.426 3.523 1.00 0.63 H new ATOM 0 HG23 VAL A 14 3.434 -3.204 3.573 1.00 0.63 H new ATOM 225 N VAL A 15 1.038 -4.726 3.636 1.00 0.29 N ATOM 226 CA VAL A 15 1.159 -5.853 4.604 1.00 0.31 C ATOM 227 C VAL A 15 2.414 -6.676 4.303 1.00 0.32 C ATOM 228 O VAL A 15 2.392 -7.593 3.505 1.00 0.47 O ATOM 229 CB VAL A 15 -0.098 -6.696 4.389 1.00 0.34 C ATOM 230 CG1 VAL A 15 -0.010 -7.969 5.231 1.00 0.45 C ATOM 231 CG2 VAL A 15 -1.329 -5.891 4.810 1.00 0.44 C ATOM 0 H VAL A 15 0.973 -5.001 2.656 1.00 0.29 H new ATOM 0 HA VAL A 15 1.246 -5.506 5.633 1.00 0.31 H new ATOM 0 HB VAL A 15 -0.180 -6.963 3.335 1.00 0.34 H new ATOM 0 HG11 VAL A 15 -0.907 -8.570 5.077 1.00 0.45 H new ATOM 0 HG12 VAL A 15 0.867 -8.543 4.932 1.00 0.45 H new ATOM 0 HG13 VAL A 15 0.072 -7.703 6.285 1.00 0.45 H new ATOM 0 HG21 VAL A 15 -2.226 -6.491 4.657 1.00 0.44 H new ATOM 0 HG22 VAL A 15 -1.246 -5.624 5.864 1.00 0.44 H new ATOM 0 HG23 VAL A 15 -1.393 -4.983 4.210 1.00 0.44 H new ATOM 241 N TYR A 16 3.511 -6.357 4.935 1.00 0.35 N ATOM 242 CA TYR A 16 4.766 -7.121 4.684 1.00 0.39 C ATOM 243 C TYR A 16 4.845 -8.330 5.620 1.00 0.64 C ATOM 244 O TYR A 16 4.857 -8.193 6.827 1.00 1.31 O ATOM 245 CB TYR A 16 5.897 -6.134 4.983 1.00 0.63 C ATOM 246 CG TYR A 16 7.222 -6.749 4.601 1.00 0.47 C ATOM 247 CD1 TYR A 16 7.328 -7.528 3.442 1.00 1.31 C ATOM 248 CD2 TYR A 16 8.348 -6.540 5.408 1.00 1.22 C ATOM 249 CE1 TYR A 16 8.557 -8.096 3.089 1.00 1.31 C ATOM 250 CE2 TYR A 16 9.579 -7.108 5.054 1.00 1.26 C ATOM 251 CZ TYR A 16 9.683 -7.886 3.895 1.00 0.55 C ATOM 252 OH TYR A 16 10.895 -8.446 3.546 1.00 0.74 O ATOM 0 H TYR A 16 3.592 -5.600 5.614 1.00 0.35 H new ATOM 0 HA TYR A 16 4.820 -7.505 3.665 1.00 0.39 H new ATOM 0 HB2 TYR A 16 5.741 -5.208 4.429 1.00 0.63 H new ATOM 0 HB3 TYR A 16 5.897 -5.875 6.042 1.00 0.63 H new ATOM 0 HD1 TYR A 16 6.460 -7.690 2.820 1.00 1.31 H new ATOM 0 HD2 TYR A 16 8.267 -5.941 6.303 1.00 1.22 H new ATOM 0 HE1 TYR A 16 8.637 -8.696 2.195 1.00 1.31 H new ATOM 0 HE2 TYR A 16 10.447 -6.946 5.675 1.00 1.26 H new ATOM 0 HH TYR A 16 11.317 -7.903 2.848 1.00 0.74 H new ATOM 262 N GLN A 17 4.898 -9.513 5.071 1.00 0.92 N ATOM 263 CA GLN A 17 4.977 -10.729 5.930 1.00 1.15 C ATOM 264 C GLN A 17 3.777 -10.784 6.880 1.00 0.81 C ATOM 265 O GLN A 17 3.883 -11.237 8.003 1.00 1.03 O ATOM 266 CB GLN A 17 6.277 -10.577 6.714 1.00 1.63 C ATOM 267 CG GLN A 17 7.433 -10.320 5.744 1.00 1.94 C ATOM 268 CD GLN A 17 8.182 -11.627 5.484 1.00 2.64 C ATOM 269 OE1 GLN A 17 7.651 -12.535 4.876 1.00 3.25 O ATOM 270 NE2 GLN A 17 9.404 -11.763 5.922 1.00 3.08 N ATOM 0 H GLN A 17 4.890 -9.690 4.067 1.00 0.92 H new ATOM 0 HA GLN A 17 4.961 -11.649 5.346 1.00 1.15 H new ATOM 0 HB2 GLN A 17 6.193 -9.752 7.422 1.00 1.63 H new ATOM 0 HB3 GLN A 17 6.470 -11.478 7.296 1.00 1.63 H new ATOM 0 HG2 GLN A 17 7.052 -9.915 4.807 1.00 1.94 H new ATOM 0 HG3 GLN A 17 8.112 -9.576 6.160 1.00 1.94 H new ATOM 0 HE21 GLN A 17 9.851 -11.001 6.433 1.00 3.08 H new ATOM 0 HE22 GLN A 17 9.912 -12.631 5.754 1.00 3.08 H new ATOM 279 N GLY A 18 2.638 -10.326 6.440 1.00 0.58 N ATOM 280 CA GLY A 18 1.434 -10.353 7.318 1.00 0.66 C ATOM 281 C GLY A 18 1.550 -9.259 8.381 1.00 0.58 C ATOM 282 O GLY A 18 1.193 -9.453 9.526 1.00 0.76 O ATOM 0 H GLY A 18 2.488 -9.934 5.510 1.00 0.58 H new ATOM 0 HA2 GLY A 18 0.534 -10.202 6.723 1.00 0.66 H new ATOM 0 HA3 GLY A 18 1.341 -11.329 7.795 1.00 0.66 H new ATOM 286 N GLU A 19 2.048 -8.110 8.011 1.00 0.41 N ATOM 287 CA GLU A 19 2.185 -7.005 9.004 1.00 0.39 C ATOM 288 C GLU A 19 1.812 -5.667 8.359 1.00 0.34 C ATOM 289 O GLU A 19 2.364 -5.277 7.350 1.00 0.47 O ATOM 290 CB GLU A 19 3.660 -7.014 9.405 1.00 0.45 C ATOM 291 CG GLU A 19 3.936 -8.213 10.315 1.00 0.84 C ATOM 292 CD GLU A 19 5.164 -7.928 11.180 1.00 1.50 C ATOM 293 OE1 GLU A 19 5.715 -6.847 11.052 1.00 2.19 O ATOM 294 OE2 GLU A 19 5.533 -8.795 11.955 1.00 2.08 O ATOM 0 H GLU A 19 2.365 -7.889 7.067 1.00 0.41 H new ATOM 0 HA GLU A 19 1.528 -7.138 9.864 1.00 0.39 H new ATOM 0 HB2 GLU A 19 4.289 -7.067 8.516 1.00 0.45 H new ATOM 0 HB3 GLU A 19 3.913 -6.087 9.920 1.00 0.45 H new ATOM 0 HG2 GLU A 19 3.070 -8.409 10.948 1.00 0.84 H new ATOM 0 HG3 GLU A 19 4.101 -9.108 9.715 1.00 0.84 H new ATOM 301 N ARG A 20 0.879 -4.960 8.936 1.00 0.35 N ATOM 302 CA ARG A 20 0.471 -3.648 8.357 1.00 0.34 C ATOM 303 C ARG A 20 1.435 -2.548 8.808 1.00 0.29 C ATOM 304 O ARG A 20 1.574 -2.274 9.983 1.00 0.40 O ATOM 305 CB ARG A 20 -0.932 -3.391 8.907 1.00 0.44 C ATOM 306 CG ARG A 20 -1.917 -4.374 8.271 1.00 0.60 C ATOM 307 CD ARG A 20 -3.158 -4.498 9.158 1.00 0.82 C ATOM 308 NE ARG A 20 -3.158 -5.912 9.623 1.00 1.19 N ATOM 309 CZ ARG A 20 -4.131 -6.353 10.374 1.00 1.57 C ATOM 310 NH1 ARG A 20 -4.754 -5.536 11.179 1.00 2.25 N ATOM 311 NH2 ARG A 20 -4.479 -7.609 10.320 1.00 2.15 N ATOM 0 H ARG A 20 0.382 -5.234 9.783 1.00 0.35 H new ATOM 0 HA ARG A 20 0.486 -3.655 7.267 1.00 0.34 H new ATOM 0 HB2 ARG A 20 -0.936 -3.506 9.991 1.00 0.44 H new ATOM 0 HB3 ARG A 20 -1.236 -2.366 8.694 1.00 0.44 H new ATOM 0 HG2 ARG A 20 -2.201 -4.029 7.277 1.00 0.60 H new ATOM 0 HG3 ARG A 20 -1.446 -5.349 8.148 1.00 0.60 H new ATOM 0 HD2 ARG A 20 -3.113 -3.806 9.999 1.00 0.82 H new ATOM 0 HD3 ARG A 20 -4.066 -4.265 8.602 1.00 0.82 H new ATOM 0 HE ARG A 20 -2.398 -6.537 9.355 1.00 1.19 H new ATOM 0 HH11 ARG A 20 -4.481 -4.554 11.221 1.00 2.25 H new ATOM 0 HH12 ARG A 20 -5.514 -5.879 11.766 1.00 2.25 H new ATOM 0 HH21 ARG A 20 -3.991 -8.247 9.691 1.00 2.15 H new ATOM 0 HH22 ARG A 20 -5.239 -7.953 10.907 1.00 2.15 H new ATOM 325 N VAL A 21 2.102 -1.914 7.882 1.00 0.24 N ATOM 326 CA VAL A 21 3.055 -0.832 8.259 1.00 0.29 C ATOM 327 C VAL A 21 3.016 0.294 7.221 1.00 0.23 C ATOM 328 O VAL A 21 2.583 0.104 6.102 1.00 0.27 O ATOM 329 CB VAL A 21 4.430 -1.502 8.270 1.00 0.42 C ATOM 330 CG1 VAL A 21 4.542 -2.418 9.490 1.00 0.53 C ATOM 331 CG2 VAL A 21 4.603 -2.330 6.995 1.00 0.47 C ATOM 0 H VAL A 21 2.028 -2.099 6.882 1.00 0.24 H new ATOM 0 HA VAL A 21 2.811 -0.384 9.222 1.00 0.29 H new ATOM 0 HB VAL A 21 5.206 -0.738 8.317 1.00 0.42 H new ATOM 0 HG11 VAL A 21 5.522 -2.895 9.498 1.00 0.53 H new ATOM 0 HG12 VAL A 21 4.418 -1.830 10.399 1.00 0.53 H new ATOM 0 HG13 VAL A 21 3.766 -3.182 9.444 1.00 0.53 H new ATOM 0 HG21 VAL A 21 5.583 -2.808 7.002 1.00 0.47 H new ATOM 0 HG22 VAL A 21 3.827 -3.094 6.949 1.00 0.47 H new ATOM 0 HG23 VAL A 21 4.523 -1.679 6.125 1.00 0.47 H new ATOM 341 N LYS A 22 3.465 1.464 7.584 1.00 0.27 N ATOM 342 CA LYS A 22 3.452 2.600 6.618 1.00 0.26 C ATOM 343 C LYS A 22 4.778 2.659 5.854 1.00 0.28 C ATOM 344 O LYS A 22 5.806 3.003 6.404 1.00 0.38 O ATOM 345 CB LYS A 22 3.272 3.850 7.479 1.00 0.35 C ATOM 346 CG LYS A 22 1.804 3.981 7.890 1.00 0.93 C ATOM 347 CD LYS A 22 0.994 4.539 6.719 1.00 0.54 C ATOM 348 CE LYS A 22 -0.423 4.877 7.192 1.00 0.76 C ATOM 349 NZ LYS A 22 -0.944 5.840 6.184 1.00 1.40 N ATOM 0 H LYS A 22 3.840 1.683 8.507 1.00 0.27 H new ATOM 0 HA LYS A 22 2.662 2.501 5.874 1.00 0.26 H new ATOM 0 HB2 LYS A 22 3.904 3.788 8.365 1.00 0.35 H new ATOM 0 HB3 LYS A 22 3.586 4.734 6.924 1.00 0.35 H new ATOM 0 HG2 LYS A 22 1.411 3.009 8.188 1.00 0.93 H new ATOM 0 HG3 LYS A 22 1.715 4.639 8.754 1.00 0.93 H new ATOM 0 HD2 LYS A 22 1.478 5.431 6.321 1.00 0.54 H new ATOM 0 HD3 LYS A 22 0.954 3.809 5.910 1.00 0.54 H new ATOM 0 HE2 LYS A 22 -1.046 3.984 7.244 1.00 0.76 H new ATOM 0 HE3 LYS A 22 -0.412 5.316 8.189 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 -1.968 5.963 6.318 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -0.467 6.757 6.300 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -0.762 5.474 5.228 1.00 1.40 H new ATOM 363 N ILE A 23 4.763 2.327 4.593 1.00 0.35 N ATOM 364 CA ILE A 23 6.024 2.365 3.797 1.00 0.43 C ATOM 365 C ILE A 23 6.747 3.696 4.015 1.00 0.48 C ATOM 366 O ILE A 23 7.943 3.800 3.835 1.00 0.56 O ATOM 367 CB ILE A 23 5.576 2.230 2.341 1.00 0.52 C ATOM 368 CG1 ILE A 23 6.807 2.084 1.443 1.00 0.62 C ATOM 369 CG2 ILE A 23 4.791 3.476 1.930 1.00 0.59 C ATOM 370 CD1 ILE A 23 6.368 2.056 -0.023 1.00 0.76 C ATOM 0 H ILE A 23 3.933 2.031 4.079 1.00 0.35 H new ATOM 0 HA ILE A 23 6.719 1.576 4.085 1.00 0.43 H new ATOM 0 HB ILE A 23 4.941 1.351 2.236 1.00 0.52 H new ATOM 0 HG12 ILE A 23 7.494 2.913 1.612 1.00 0.62 H new ATOM 0 HG13 ILE A 23 7.345 1.169 1.690 1.00 0.62 H new ATOM 0 HG21 ILE A 23 4.472 3.379 0.892 1.00 0.59 H new ATOM 0 HG22 ILE A 23 3.915 3.582 2.570 1.00 0.59 H new ATOM 0 HG23 ILE A 23 5.425 4.356 2.034 1.00 0.59 H new ATOM 0 HD11 ILE A 23 7.244 1.952 -0.663 1.00 0.76 H new ATOM 0 HD12 ILE A 23 5.697 1.212 -0.186 1.00 0.76 H new ATOM 0 HD13 ILE A 23 5.850 2.984 -0.265 1.00 0.76 H new ATOM 382 N GLN A 24 6.030 4.715 4.401 1.00 0.49 N ATOM 383 CA GLN A 24 6.678 6.039 4.631 1.00 0.57 C ATOM 384 C GLN A 24 7.552 5.988 5.887 1.00 0.53 C ATOM 385 O GLN A 24 8.386 6.845 6.109 1.00 0.59 O ATOM 386 CB GLN A 24 5.520 7.018 4.823 1.00 0.70 C ATOM 387 CG GLN A 24 4.715 6.623 6.062 1.00 0.75 C ATOM 388 CD GLN A 24 4.441 7.864 6.912 1.00 0.73 C ATOM 389 OE1 GLN A 24 5.304 8.703 7.076 1.00 1.19 O ATOM 390 NE2 GLN A 24 3.268 8.018 7.462 1.00 0.76 N ATOM 0 H GLN A 24 5.024 4.689 4.567 1.00 0.49 H new ATOM 0 HA GLN A 24 7.326 6.331 3.805 1.00 0.57 H new ATOM 0 HB2 GLN A 24 5.903 8.033 4.934 1.00 0.70 H new ATOM 0 HB3 GLN A 24 4.877 7.014 3.943 1.00 0.70 H new ATOM 0 HG2 GLN A 24 3.775 6.159 5.765 1.00 0.75 H new ATOM 0 HG3 GLN A 24 5.265 5.884 6.645 1.00 0.75 H new ATOM 0 HE21 GLN A 24 2.544 7.313 7.324 1.00 0.76 H new ATOM 0 HE22 GLN A 24 3.075 8.843 8.030 1.00 0.76 H new ATOM 399 N GLU A 25 7.369 4.993 6.710 1.00 0.48 N ATOM 400 CA GLU A 25 8.190 4.889 7.950 1.00 0.51 C ATOM 401 C GLU A 25 9.057 3.629 7.908 1.00 0.45 C ATOM 402 O GLU A 25 10.269 3.694 7.966 1.00 0.59 O ATOM 403 CB GLU A 25 7.176 4.805 9.091 1.00 0.58 C ATOM 404 CG GLU A 25 6.571 6.188 9.339 1.00 0.73 C ATOM 405 CD GLU A 25 6.422 6.418 10.844 1.00 1.30 C ATOM 406 OE1 GLU A 25 5.447 5.943 11.403 1.00 1.76 O ATOM 407 OE2 GLU A 25 7.285 7.066 11.413 1.00 2.06 O ATOM 0 H GLU A 25 6.686 4.247 6.578 1.00 0.48 H new ATOM 0 HA GLU A 25 8.867 5.735 8.068 1.00 0.51 H new ATOM 0 HB2 GLU A 25 6.390 4.092 8.842 1.00 0.58 H new ATOM 0 HB3 GLU A 25 7.661 4.441 9.997 1.00 0.58 H new ATOM 0 HG2 GLU A 25 7.208 6.958 8.904 1.00 0.73 H new ATOM 0 HG3 GLU A 25 5.599 6.264 8.851 1.00 0.73 H new ATOM 414 N LYS A 26 8.445 2.481 7.807 1.00 0.34 N ATOM 415 CA LYS A 26 9.235 1.216 7.760 1.00 0.39 C ATOM 416 C LYS A 26 10.268 1.277 6.631 1.00 0.35 C ATOM 417 O LYS A 26 11.318 0.672 6.705 1.00 0.47 O ATOM 418 CB LYS A 26 8.208 0.118 7.489 1.00 0.47 C ATOM 419 CG LYS A 26 8.926 -1.223 7.320 1.00 0.66 C ATOM 420 CD LYS A 26 8.763 -2.054 8.594 1.00 0.72 C ATOM 421 CE LYS A 26 9.540 -3.365 8.452 1.00 0.86 C ATOM 422 NZ LYS A 26 9.373 -4.053 9.762 1.00 1.71 N ATOM 0 H LYS A 26 7.433 2.363 7.755 1.00 0.34 H new ATOM 0 HA LYS A 26 9.786 1.039 8.684 1.00 0.39 H new ATOM 0 HB2 LYS A 26 7.496 0.060 8.312 1.00 0.47 H new ATOM 0 HB3 LYS A 26 7.638 0.353 6.590 1.00 0.47 H new ATOM 0 HG2 LYS A 26 8.515 -1.762 6.466 1.00 0.66 H new ATOM 0 HG3 LYS A 26 9.983 -1.058 7.114 1.00 0.66 H new ATOM 0 HD2 LYS A 26 9.128 -1.494 9.455 1.00 0.72 H new ATOM 0 HD3 LYS A 26 7.708 -2.262 8.773 1.00 0.72 H new ATOM 0 HE2 LYS A 26 9.148 -3.970 7.635 1.00 0.86 H new ATOM 0 HE3 LYS A 26 10.592 -3.179 8.234 1.00 0.86 H new ATOM 0 HZ1 LYS A 26 9.878 -4.962 9.744 1.00 1.71 H new ATOM 0 HZ2 LYS A 26 9.762 -3.456 10.520 1.00 1.71 H new ATOM 0 HZ3 LYS A 26 8.362 -4.222 9.939 1.00 1.71 H new ATOM 436 N PHE A 27 9.976 2.004 5.587 1.00 0.33 N ATOM 437 CA PHE A 27 10.941 2.104 4.455 1.00 0.37 C ATOM 438 C PHE A 27 11.340 3.564 4.227 1.00 0.42 C ATOM 439 O PHE A 27 11.442 4.022 3.106 1.00 0.46 O ATOM 440 CB PHE A 27 10.187 1.558 3.243 1.00 0.41 C ATOM 441 CG PHE A 27 10.011 0.065 3.390 1.00 0.44 C ATOM 442 CD1 PHE A 27 11.127 -0.779 3.343 1.00 1.20 C ATOM 443 CD2 PHE A 27 8.732 -0.474 3.571 1.00 1.39 C ATOM 444 CE1 PHE A 27 10.963 -2.163 3.479 1.00 1.22 C ATOM 445 CE2 PHE A 27 8.569 -1.857 3.708 1.00 1.46 C ATOM 446 CZ PHE A 27 9.684 -2.702 3.662 1.00 0.65 C ATOM 0 H PHE A 27 9.112 2.533 5.469 1.00 0.33 H new ATOM 0 HA PHE A 27 11.861 1.551 4.646 1.00 0.37 H new ATOM 0 HB2 PHE A 27 9.215 2.043 3.158 1.00 0.41 H new ATOM 0 HB3 PHE A 27 10.736 1.782 2.328 1.00 0.41 H new ATOM 0 HD1 PHE A 27 12.114 -0.363 3.202 1.00 1.20 H new ATOM 0 HD2 PHE A 27 7.871 0.177 3.605 1.00 1.39 H new ATOM 0 HE1 PHE A 27 11.823 -2.815 3.443 1.00 1.22 H new ATOM 0 HE2 PHE A 27 7.582 -2.273 3.849 1.00 1.46 H new ATOM 0 HZ PHE A 27 9.558 -3.769 3.768 1.00 0.65 H new ATOM 456 N LYS A 28 11.566 4.299 5.282 1.00 0.48 N ATOM 457 CA LYS A 28 11.959 5.729 5.125 1.00 0.56 C ATOM 458 C LYS A 28 13.036 5.867 4.045 1.00 0.52 C ATOM 459 O LYS A 28 13.039 6.807 3.275 1.00 0.55 O ATOM 460 CB LYS A 28 12.512 6.140 6.489 1.00 0.73 C ATOM 461 CG LYS A 28 11.739 7.353 7.011 1.00 1.06 C ATOM 462 CD LYS A 28 11.433 7.163 8.498 1.00 1.88 C ATOM 463 CE LYS A 28 12.314 8.102 9.325 1.00 2.32 C ATOM 464 NZ LYS A 28 11.847 7.930 10.729 1.00 3.01 N ATOM 0 H LYS A 28 11.496 3.971 6.245 1.00 0.48 H new ATOM 0 HA LYS A 28 11.121 6.356 4.819 1.00 0.56 H new ATOM 0 HB2 LYS A 28 12.427 5.311 7.192 1.00 0.73 H new ATOM 0 HB3 LYS A 28 13.572 6.380 6.406 1.00 0.73 H new ATOM 0 HG2 LYS A 28 12.323 8.261 6.862 1.00 1.06 H new ATOM 0 HG3 LYS A 28 10.812 7.475 6.451 1.00 1.06 H new ATOM 0 HD2 LYS A 28 10.381 7.369 8.693 1.00 1.88 H new ATOM 0 HD3 LYS A 28 11.614 6.128 8.788 1.00 1.88 H new ATOM 0 HE2 LYS A 28 13.368 7.844 9.225 1.00 2.32 H new ATOM 0 HE3 LYS A 28 12.206 9.136 8.997 1.00 2.32 H new ATOM 0 HZ1 LYS A 28 12.404 8.543 11.358 1.00 3.01 H new ATOM 0 HZ2 LYS A 28 10.842 8.189 10.795 1.00 3.01 H new ATOM 0 HZ3 LYS A 28 11.968 6.938 11.016 1.00 3.01 H new ATOM 478 N ASN A 29 13.949 4.936 3.982 1.00 0.52 N ATOM 479 CA ASN A 29 15.023 5.016 2.952 1.00 0.56 C ATOM 480 C ASN A 29 14.697 4.095 1.774 1.00 0.52 C ATOM 481 O ASN A 29 15.505 3.284 1.364 1.00 0.60 O ATOM 482 CB ASN A 29 16.291 4.546 3.666 1.00 0.67 C ATOM 483 CG ASN A 29 16.887 5.706 4.464 1.00 0.75 C ATOM 484 OD1 ASN A 29 17.790 6.376 4.002 1.00 1.52 O ATOM 485 ND2 ASN A 29 16.419 5.973 5.652 1.00 0.99 N ATOM 0 H ASN A 29 13.997 4.125 4.598 1.00 0.52 H new ATOM 0 HA ASN A 29 15.132 6.022 2.546 1.00 0.56 H new ATOM 0 HB2 ASN A 29 16.059 3.714 4.331 1.00 0.67 H new ATOM 0 HB3 ASN A 29 17.016 4.180 2.939 1.00 0.67 H new ATOM 0 HD21 ASN A 29 16.811 6.744 6.193 1.00 0.99 H new ATOM 0 HD22 ASN A 29 15.661 5.411 6.040 1.00 0.99 H new ATOM 492 N GLY A 30 13.519 4.213 1.225 1.00 0.47 N ATOM 493 CA GLY A 30 13.142 3.345 0.074 1.00 0.47 C ATOM 494 C GLY A 30 12.877 1.923 0.571 1.00 0.42 C ATOM 495 O GLY A 30 13.019 1.627 1.740 1.00 0.44 O ATOM 0 H GLY A 30 12.801 4.873 1.524 1.00 0.47 H new ATOM 0 HA2 GLY A 30 12.253 3.741 -0.418 1.00 0.47 H new ATOM 0 HA3 GLY A 30 13.941 3.339 -0.668 1.00 0.47 H new ATOM 499 N MET A 31 12.493 1.039 -0.310 1.00 0.40 N ATOM 500 CA MET A 31 12.218 -0.364 0.113 1.00 0.37 C ATOM 501 C MET A 31 13.326 -1.295 -0.388 1.00 0.38 C ATOM 502 O MET A 31 13.959 -1.036 -1.392 1.00 0.53 O ATOM 503 CB MET A 31 10.881 -0.720 -0.540 1.00 0.37 C ATOM 504 CG MET A 31 9.790 0.208 -0.007 1.00 0.42 C ATOM 505 SD MET A 31 8.287 -0.750 0.313 1.00 1.09 S ATOM 506 CE MET A 31 8.327 -1.747 -1.197 1.00 1.16 C ATOM 0 H MET A 31 12.358 1.228 -1.303 1.00 0.40 H new ATOM 0 HA MET A 31 12.182 -0.469 1.197 1.00 0.37 H new ATOM 0 HB2 MET A 31 10.957 -0.625 -1.623 1.00 0.37 H new ATOM 0 HB3 MET A 31 10.626 -1.758 -0.328 1.00 0.37 H new ATOM 0 HG2 MET A 31 10.126 0.694 0.909 1.00 0.42 H new ATOM 0 HG3 MET A 31 9.584 0.998 -0.730 1.00 0.42 H new ATOM 0 HE1 MET A 31 7.330 -2.136 -1.402 1.00 1.16 H new ATOM 0 HE2 MET A 31 8.654 -1.129 -2.033 1.00 1.16 H new ATOM 0 HE3 MET A 31 9.021 -2.577 -1.066 1.00 1.16 H new ATOM 516 N LEU A 32 13.566 -2.375 0.304 1.00 0.36 N ATOM 517 CA LEU A 32 14.633 -3.318 -0.134 1.00 0.40 C ATOM 518 C LEU A 32 14.331 -3.846 -1.538 1.00 0.37 C ATOM 519 O LEU A 32 13.206 -3.807 -1.998 1.00 0.37 O ATOM 520 CB LEU A 32 14.600 -4.455 0.887 1.00 0.46 C ATOM 521 CG LEU A 32 15.115 -3.947 2.235 1.00 0.64 C ATOM 522 CD1 LEU A 32 14.723 -4.932 3.337 1.00 1.37 C ATOM 523 CD2 LEU A 32 16.639 -3.822 2.182 1.00 1.25 C ATOM 0 H LEU A 32 13.070 -2.645 1.153 1.00 0.36 H new ATOM 0 HA LEU A 32 15.612 -2.841 -0.180 1.00 0.40 H new ATOM 0 HB2 LEU A 32 13.583 -4.833 0.993 1.00 0.46 H new ATOM 0 HB3 LEU A 32 15.214 -5.286 0.541 1.00 0.46 H new ATOM 0 HG LEU A 32 14.676 -2.972 2.448 1.00 0.64 H new ATOM 0 HD11 LEU A 32 15.090 -4.569 4.297 1.00 1.37 H new ATOM 0 HD12 LEU A 32 13.637 -5.023 3.375 1.00 1.37 H new ATOM 0 HD13 LEU A 32 15.161 -5.907 3.126 1.00 1.37 H new ATOM 0 HD21 LEU A 32 17.008 -3.460 3.142 1.00 1.25 H new ATOM 0 HD22 LEU A 32 17.077 -4.797 1.969 1.00 1.25 H new ATOM 0 HD23 LEU A 32 16.919 -3.119 1.397 1.00 1.25 H new ATOM 535 N HIS A 33 15.326 -4.339 -2.225 1.00 0.39 N ATOM 536 CA HIS A 33 15.094 -4.869 -3.600 1.00 0.38 C ATOM 537 C HIS A 33 14.343 -6.201 -3.537 1.00 0.38 C ATOM 538 O HIS A 33 14.721 -7.104 -2.817 1.00 0.43 O ATOM 539 CB HIS A 33 16.492 -5.066 -4.186 1.00 0.45 C ATOM 540 CG HIS A 33 16.404 -5.919 -5.422 1.00 0.52 C ATOM 541 ND1 HIS A 33 15.609 -5.574 -6.505 1.00 0.68 N ATOM 542 CD2 HIS A 33 17.003 -7.107 -5.762 1.00 1.03 C ATOM 543 CE1 HIS A 33 15.751 -6.536 -7.435 1.00 0.64 C ATOM 544 NE2 HIS A 33 16.590 -7.494 -7.033 1.00 0.96 N ATOM 0 H HIS A 33 16.289 -4.398 -1.894 1.00 0.39 H new ATOM 0 HA HIS A 33 14.488 -4.196 -4.206 1.00 0.38 H new ATOM 0 HB2 HIS A 33 16.935 -4.100 -4.429 1.00 0.45 H new ATOM 0 HB3 HIS A 33 17.143 -5.539 -3.451 1.00 0.45 H new ATOM 0 HD2 HIS A 33 17.691 -7.658 -5.137 1.00 1.03 H new ATOM 0 HE1 HIS A 33 15.248 -6.534 -8.390 1.00 0.64 H new ATOM 0 HE2 HIS A 33 16.868 -8.330 -7.547 1.00 0.96 H new ATOM 552 N GLY A 34 13.284 -6.333 -4.290 1.00 0.36 N ATOM 553 CA GLY A 34 12.513 -7.609 -4.276 1.00 0.39 C ATOM 554 C GLY A 34 11.502 -7.597 -3.125 1.00 0.37 C ATOM 555 O GLY A 34 10.575 -8.382 -3.097 1.00 0.50 O ATOM 0 H GLY A 34 12.920 -5.613 -4.914 1.00 0.36 H new ATOM 0 HA2 GLY A 34 11.994 -7.740 -5.226 1.00 0.39 H new ATOM 0 HA3 GLY A 34 13.193 -8.453 -4.165 1.00 0.39 H new ATOM 559 N ASP A 35 11.671 -6.718 -2.175 1.00 0.31 N ATOM 560 CA ASP A 35 10.717 -6.664 -1.030 1.00 0.31 C ATOM 561 C ASP A 35 9.277 -6.807 -1.531 1.00 0.29 C ATOM 562 O ASP A 35 8.835 -6.077 -2.394 1.00 0.47 O ATOM 563 CB ASP A 35 10.932 -5.288 -0.400 1.00 0.33 C ATOM 564 CG ASP A 35 10.631 -5.358 1.098 1.00 0.88 C ATOM 565 OD1 ASP A 35 11.148 -6.254 1.744 1.00 1.48 O ATOM 566 OD2 ASP A 35 9.890 -4.514 1.574 1.00 1.63 O ATOM 0 H ASP A 35 12.428 -6.035 -2.142 1.00 0.31 H new ATOM 0 HA ASP A 35 10.884 -7.470 -0.316 1.00 0.31 H new ATOM 0 HB2 ASP A 35 11.959 -4.960 -0.560 1.00 0.33 H new ATOM 0 HB3 ASP A 35 10.284 -4.553 -0.878 1.00 0.33 H new ATOM 571 N LYS A 36 8.541 -7.741 -0.993 1.00 0.26 N ATOM 572 CA LYS A 36 7.131 -7.927 -1.442 1.00 0.24 C ATOM 573 C LYS A 36 6.168 -7.266 -0.451 1.00 0.24 C ATOM 574 O LYS A 36 6.247 -7.480 0.742 1.00 0.29 O ATOM 575 CB LYS A 36 6.918 -9.441 -1.467 1.00 0.29 C ATOM 576 CG LYS A 36 7.355 -9.996 -2.824 1.00 0.44 C ATOM 577 CD LYS A 36 6.266 -10.920 -3.373 1.00 0.43 C ATOM 578 CE LYS A 36 6.903 -12.218 -3.875 1.00 1.26 C ATOM 579 NZ LYS A 36 5.762 -13.155 -4.069 1.00 1.66 N ATOM 0 H LYS A 36 8.854 -8.382 -0.264 1.00 0.26 H new ATOM 0 HA LYS A 36 6.946 -7.474 -2.416 1.00 0.24 H new ATOM 0 HB2 LYS A 36 7.490 -9.913 -0.668 1.00 0.29 H new ATOM 0 HB3 LYS A 36 5.868 -9.674 -1.288 1.00 0.29 H new ATOM 0 HG2 LYS A 36 7.538 -9.178 -3.521 1.00 0.44 H new ATOM 0 HG3 LYS A 36 8.292 -10.543 -2.720 1.00 0.44 H new ATOM 0 HD2 LYS A 36 5.534 -11.139 -2.596 1.00 0.43 H new ATOM 0 HD3 LYS A 36 5.731 -10.427 -4.185 1.00 0.43 H new ATOM 0 HE2 LYS A 36 7.445 -12.057 -4.807 1.00 1.26 H new ATOM 0 HE3 LYS A 36 7.619 -12.611 -3.153 1.00 1.26 H new ATOM 0 HZ1 LYS A 36 6.118 -14.069 -4.413 1.00 1.66 H new ATOM 0 HZ2 LYS A 36 5.269 -13.294 -3.164 1.00 1.66 H new ATOM 0 HZ3 LYS A 36 5.101 -12.757 -4.766 1.00 1.66 H new ATOM 593 N VAL A 37 5.258 -6.466 -0.937 1.00 0.21 N ATOM 594 CA VAL A 37 4.291 -5.794 -0.022 1.00 0.23 C ATOM 595 C VAL A 37 2.894 -5.774 -0.650 1.00 0.20 C ATOM 596 O VAL A 37 2.740 -5.565 -1.836 1.00 0.22 O ATOM 597 CB VAL A 37 4.825 -4.370 0.142 1.00 0.28 C ATOM 598 CG1 VAL A 37 6.236 -4.418 0.729 1.00 0.82 C ATOM 599 CG2 VAL A 37 4.865 -3.681 -1.225 1.00 0.92 C ATOM 0 H VAL A 37 5.142 -6.249 -1.927 1.00 0.21 H new ATOM 0 HA VAL A 37 4.202 -6.309 0.935 1.00 0.23 H new ATOM 0 HB VAL A 37 4.172 -3.812 0.813 1.00 0.28 H new ATOM 0 HG11 VAL A 37 6.616 -3.403 0.846 1.00 0.82 H new ATOM 0 HG12 VAL A 37 6.209 -4.909 1.702 1.00 0.82 H new ATOM 0 HG13 VAL A 37 6.890 -4.976 0.059 1.00 0.82 H new ATOM 0 HG21 VAL A 37 5.245 -2.666 -1.110 1.00 0.92 H new ATOM 0 HG22 VAL A 37 5.519 -4.240 -1.895 1.00 0.92 H new ATOM 0 HG23 VAL A 37 3.860 -3.646 -1.645 1.00 0.92 H new ATOM 609 N SER A 38 1.876 -5.993 0.137 1.00 0.20 N ATOM 610 CA SER A 38 0.491 -5.988 -0.418 1.00 0.20 C ATOM 611 C SER A 38 -0.191 -4.647 -0.132 1.00 0.19 C ATOM 612 O SER A 38 -0.038 -4.076 0.930 1.00 0.23 O ATOM 613 CB SER A 38 -0.230 -7.120 0.311 1.00 0.23 C ATOM 614 OG SER A 38 0.726 -8.066 0.772 1.00 0.29 O ATOM 0 H SER A 38 1.942 -6.175 1.138 1.00 0.20 H new ATOM 0 HA SER A 38 0.480 -6.125 -1.499 1.00 0.20 H new ATOM 0 HB2 SER A 38 -0.799 -6.722 1.151 1.00 0.23 H new ATOM 0 HB3 SER A 38 -0.943 -7.603 -0.358 1.00 0.23 H new ATOM 0 HG SER A 38 0.602 -8.914 0.297 1.00 0.29 H new ATOM 620 N PHE A 39 -0.946 -4.143 -1.069 1.00 0.19 N ATOM 621 CA PHE A 39 -1.640 -2.841 -0.849 1.00 0.21 C ATOM 622 C PHE A 39 -3.103 -3.085 -0.469 1.00 0.20 C ATOM 623 O PHE A 39 -3.758 -3.951 -1.012 1.00 0.23 O ATOM 624 CB PHE A 39 -1.549 -2.110 -2.189 1.00 0.25 C ATOM 625 CG PHE A 39 -0.181 -1.484 -2.329 1.00 0.26 C ATOM 626 CD1 PHE A 39 0.894 -2.249 -2.798 1.00 1.20 C ATOM 627 CD2 PHE A 39 0.012 -0.140 -1.988 1.00 1.24 C ATOM 628 CE1 PHE A 39 2.162 -1.670 -2.927 1.00 1.21 C ATOM 629 CE2 PHE A 39 1.280 0.439 -2.118 1.00 1.24 C ATOM 630 CZ PHE A 39 2.355 -0.326 -2.588 1.00 0.31 C ATOM 0 H PHE A 39 -1.113 -4.576 -1.977 1.00 0.19 H new ATOM 0 HA PHE A 39 -1.191 -2.264 -0.041 1.00 0.21 H new ATOM 0 HB2 PHE A 39 -1.728 -2.806 -3.008 1.00 0.25 H new ATOM 0 HB3 PHE A 39 -2.320 -1.342 -2.250 1.00 0.25 H new ATOM 0 HD1 PHE A 39 0.745 -3.286 -3.060 1.00 1.20 H new ATOM 0 HD2 PHE A 39 -0.817 0.450 -1.625 1.00 1.24 H new ATOM 0 HE1 PHE A 39 2.991 -2.260 -3.288 1.00 1.21 H new ATOM 0 HE2 PHE A 39 1.429 1.476 -1.856 1.00 1.24 H new ATOM 0 HZ PHE A 39 3.333 0.121 -2.689 1.00 0.31 H new ATOM 640 N PHE A 40 -3.620 -2.335 0.464 1.00 0.21 N ATOM 641 CA PHE A 40 -5.038 -2.538 0.876 1.00 0.19 C ATOM 642 C PHE A 40 -5.989 -1.871 -0.122 1.00 0.20 C ATOM 643 O PHE A 40 -5.860 -0.704 -0.435 1.00 0.26 O ATOM 644 CB PHE A 40 -5.153 -1.873 2.249 1.00 0.22 C ATOM 645 CG PHE A 40 -4.796 -2.874 3.322 1.00 0.27 C ATOM 646 CD1 PHE A 40 -5.725 -3.848 3.708 1.00 1.24 C ATOM 647 CD2 PHE A 40 -3.537 -2.826 3.933 1.00 1.23 C ATOM 648 CE1 PHE A 40 -5.395 -4.774 4.704 1.00 1.25 C ATOM 649 CE2 PHE A 40 -3.207 -3.753 4.929 1.00 1.27 C ATOM 650 CZ PHE A 40 -4.136 -4.728 5.314 1.00 0.45 C ATOM 0 H PHE A 40 -3.125 -1.593 0.958 1.00 0.21 H new ATOM 0 HA PHE A 40 -5.306 -3.594 0.908 1.00 0.19 H new ATOM 0 HB2 PHE A 40 -4.488 -1.011 2.305 1.00 0.22 H new ATOM 0 HB3 PHE A 40 -6.167 -1.504 2.403 1.00 0.22 H new ATOM 0 HD1 PHE A 40 -6.696 -3.885 3.237 1.00 1.24 H new ATOM 0 HD2 PHE A 40 -2.821 -2.074 3.636 1.00 1.23 H new ATOM 0 HE1 PHE A 40 -6.112 -5.525 5.002 1.00 1.25 H new ATOM 0 HE2 PHE A 40 -2.236 -3.716 5.400 1.00 1.27 H new ATOM 0 HZ PHE A 40 -3.881 -5.444 6.081 1.00 0.45 H new ATOM 660 N CYS A 41 -6.948 -2.605 -0.618 1.00 0.19 N ATOM 661 CA CYS A 41 -7.913 -2.017 -1.591 1.00 0.22 C ATOM 662 C CYS A 41 -9.344 -2.406 -1.208 1.00 0.22 C ATOM 663 O CYS A 41 -9.567 -3.120 -0.250 1.00 0.35 O ATOM 664 CB CYS A 41 -7.535 -2.625 -2.942 1.00 0.28 C ATOM 665 SG CYS A 41 -6.998 -1.311 -4.066 1.00 0.87 S ATOM 0 H CYS A 41 -7.105 -3.587 -0.391 1.00 0.19 H new ATOM 0 HA CYS A 41 -7.871 -0.928 -1.611 1.00 0.22 H new ATOM 0 HB2 CYS A 41 -6.737 -3.357 -2.813 1.00 0.28 H new ATOM 0 HB3 CYS A 41 -8.388 -3.155 -3.366 1.00 0.28 H new ATOM 670 N LYS A 42 -10.316 -1.944 -1.946 1.00 0.27 N ATOM 671 CA LYS A 42 -11.729 -2.291 -1.617 1.00 0.26 C ATOM 672 C LYS A 42 -12.396 -2.996 -2.799 1.00 0.33 C ATOM 673 O LYS A 42 -12.040 -2.789 -3.942 1.00 0.43 O ATOM 674 CB LYS A 42 -12.416 -0.954 -1.337 1.00 0.33 C ATOM 675 CG LYS A 42 -12.301 -0.051 -2.567 1.00 0.48 C ATOM 676 CD LYS A 42 -11.679 1.286 -2.161 1.00 0.95 C ATOM 677 CE LYS A 42 -12.585 1.981 -1.143 1.00 0.78 C ATOM 678 NZ LYS A 42 -12.722 3.379 -1.641 1.00 1.32 N ATOM 0 H LYS A 42 -10.194 -1.343 -2.761 1.00 0.27 H new ATOM 0 HA LYS A 42 -11.794 -2.969 -0.766 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -13.465 -1.117 -1.090 1.00 0.33 H new ATOM 0 HB3 LYS A 42 -11.957 -0.471 -0.474 1.00 0.33 H new ATOM 0 HG2 LYS A 42 -11.689 -0.533 -3.329 1.00 0.48 H new ATOM 0 HG3 LYS A 42 -13.286 0.112 -3.005 1.00 0.48 H new ATOM 0 HD2 LYS A 42 -10.690 1.124 -1.733 1.00 0.95 H new ATOM 0 HD3 LYS A 42 -11.547 1.919 -3.038 1.00 0.95 H new ATOM 0 HE2 LYS A 42 -13.555 1.489 -1.077 1.00 0.78 H new ATOM 0 HE3 LYS A 42 -12.147 1.958 -0.145 1.00 0.78 H new ATOM 0 HZ1 LYS A 42 -13.331 3.920 -0.994 1.00 1.32 H new ATOM 0 HZ2 LYS A 42 -11.783 3.825 -1.687 1.00 1.32 H new ATOM 0 HZ3 LYS A 42 -13.147 3.369 -2.590 1.00 1.32 H new ATOM 692 N ASN A 43 -13.363 -3.825 -2.526 1.00 0.35 N ATOM 693 CA ASN A 43 -14.062 -4.550 -3.625 1.00 0.48 C ATOM 694 C ASN A 43 -15.525 -4.104 -3.701 1.00 0.56 C ATOM 695 O ASN A 43 -16.225 -4.069 -2.709 1.00 0.63 O ATOM 696 CB ASN A 43 -13.972 -6.027 -3.243 1.00 0.51 C ATOM 697 CG ASN A 43 -13.941 -6.881 -4.512 1.00 0.65 C ATOM 698 OD1 ASN A 43 -14.413 -6.464 -5.551 1.00 1.35 O ATOM 699 ND2 ASN A 43 -13.400 -8.068 -4.472 1.00 1.10 N ATOM 0 H ASN A 43 -13.701 -4.033 -1.587 1.00 0.35 H new ATOM 0 HA ASN A 43 -13.617 -4.354 -4.601 1.00 0.48 H new ATOM 0 HB2 ASN A 43 -13.076 -6.206 -2.649 1.00 0.51 H new ATOM 0 HB3 ASN A 43 -14.825 -6.306 -2.625 1.00 0.51 H new ATOM 0 HD21 ASN A 43 -13.374 -8.645 -5.313 1.00 1.10 H new ATOM 0 HD22 ASN A 43 -13.004 -8.419 -3.600 1.00 1.10 H new ATOM 706 N LYS A 44 -15.993 -3.764 -4.871 1.00 0.67 N ATOM 707 CA LYS A 44 -17.411 -3.322 -5.006 1.00 0.76 C ATOM 708 C LYS A 44 -18.323 -4.532 -5.231 1.00 0.81 C ATOM 709 O LYS A 44 -19.427 -4.591 -4.726 1.00 0.94 O ATOM 710 CB LYS A 44 -17.427 -2.403 -6.228 1.00 0.87 C ATOM 711 CG LYS A 44 -18.207 -1.129 -5.897 1.00 1.52 C ATOM 712 CD LYS A 44 -17.948 -0.075 -6.976 1.00 1.81 C ATOM 713 CE LYS A 44 -18.117 1.323 -6.376 1.00 2.50 C ATOM 714 NZ LYS A 44 -18.386 2.210 -7.541 1.00 3.09 N ATOM 0 H LYS A 44 -15.456 -3.773 -5.738 1.00 0.67 H new ATOM 0 HA LYS A 44 -17.772 -2.815 -4.111 1.00 0.76 H new ATOM 0 HB2 LYS A 44 -16.408 -2.152 -6.521 1.00 0.87 H new ATOM 0 HB3 LYS A 44 -17.886 -2.914 -7.075 1.00 0.87 H new ATOM 0 HG2 LYS A 44 -19.273 -1.348 -5.837 1.00 1.52 H new ATOM 0 HG3 LYS A 44 -17.904 -0.748 -4.922 1.00 1.52 H new ATOM 0 HD2 LYS A 44 -16.941 -0.190 -7.378 1.00 1.81 H new ATOM 0 HD3 LYS A 44 -18.640 -0.212 -7.807 1.00 1.81 H new ATOM 0 HE2 LYS A 44 -18.939 1.349 -5.661 1.00 2.50 H new ATOM 0 HE3 LYS A 44 -17.220 1.634 -5.841 1.00 2.50 H new ATOM 0 HZ1 LYS A 44 -18.514 3.188 -7.211 1.00 3.09 H new ATOM 0 HZ2 LYS A 44 -17.583 2.169 -8.201 1.00 3.09 H new ATOM 0 HZ3 LYS A 44 -19.249 1.893 -8.026 1.00 3.09 H new ATOM 728 N GLU A 45 -17.871 -5.495 -5.987 1.00 0.76 N ATOM 729 CA GLU A 45 -18.714 -6.699 -6.241 1.00 0.83 C ATOM 730 C GLU A 45 -18.767 -7.581 -4.991 1.00 0.79 C ATOM 731 O GLU A 45 -19.646 -8.405 -4.838 1.00 0.97 O ATOM 732 CB GLU A 45 -18.022 -7.434 -7.389 1.00 0.89 C ATOM 733 CG GLU A 45 -19.041 -7.741 -8.487 1.00 1.48 C ATOM 734 CD GLU A 45 -18.377 -8.578 -9.582 1.00 1.54 C ATOM 735 OE1 GLU A 45 -17.164 -8.704 -9.551 1.00 2.13 O ATOM 736 OE2 GLU A 45 -19.093 -9.081 -10.432 1.00 1.96 O ATOM 0 H GLU A 45 -16.957 -5.501 -6.439 1.00 0.76 H new ATOM 0 HA GLU A 45 -19.743 -6.438 -6.488 1.00 0.83 H new ATOM 0 HB2 GLU A 45 -17.213 -6.824 -7.790 1.00 0.89 H new ATOM 0 HB3 GLU A 45 -17.574 -8.359 -7.025 1.00 0.89 H new ATOM 0 HG2 GLU A 45 -19.891 -8.280 -8.068 1.00 1.48 H new ATOM 0 HG3 GLU A 45 -19.428 -6.813 -8.908 1.00 1.48 H new ATOM 743 N LYS A 46 -17.834 -7.413 -4.095 1.00 0.66 N ATOM 744 CA LYS A 46 -17.833 -8.242 -2.854 1.00 0.65 C ATOM 745 C LYS A 46 -18.196 -7.378 -1.643 1.00 0.60 C ATOM 746 O LYS A 46 -18.604 -7.878 -0.615 1.00 0.63 O ATOM 747 CB LYS A 46 -16.405 -8.768 -2.731 1.00 0.64 C ATOM 748 CG LYS A 46 -16.041 -9.557 -3.990 1.00 0.83 C ATOM 749 CD LYS A 46 -15.278 -10.823 -3.597 1.00 1.12 C ATOM 750 CE LYS A 46 -15.480 -11.895 -4.671 1.00 1.69 C ATOM 751 NZ LYS A 46 -14.972 -13.153 -4.057 1.00 2.21 N ATOM 0 H LYS A 46 -17.072 -6.738 -4.167 1.00 0.66 H new ATOM 0 HA LYS A 46 -18.562 -9.052 -2.896 1.00 0.65 H new ATOM 0 HB2 LYS A 46 -15.711 -7.938 -2.596 1.00 0.64 H new ATOM 0 HB3 LYS A 46 -16.315 -9.405 -1.851 1.00 0.64 H new ATOM 0 HG2 LYS A 46 -16.944 -9.820 -4.541 1.00 0.83 H new ATOM 0 HG3 LYS A 46 -15.431 -8.943 -4.653 1.00 0.83 H new ATOM 0 HD2 LYS A 46 -14.217 -10.601 -3.485 1.00 1.12 H new ATOM 0 HD3 LYS A 46 -15.631 -11.188 -2.633 1.00 1.12 H new ATOM 0 HE2 LYS A 46 -16.531 -11.986 -4.946 1.00 1.69 H new ATOM 0 HE3 LYS A 46 -14.932 -11.650 -5.581 1.00 1.69 H new ATOM 0 HZ1 LYS A 46 -15.076 -13.936 -4.733 1.00 2.21 H new ATOM 0 HZ2 LYS A 46 -13.968 -13.039 -3.812 1.00 2.21 H new ATOM 0 HZ3 LYS A 46 -15.517 -13.364 -3.196 1.00 2.21 H new ATOM 765 N LYS A 47 -18.055 -6.085 -1.763 1.00 0.57 N ATOM 766 CA LYS A 47 -18.395 -5.177 -0.626 1.00 0.58 C ATOM 767 C LYS A 47 -17.385 -5.334 0.515 1.00 0.50 C ATOM 768 O LYS A 47 -17.712 -5.162 1.672 1.00 0.56 O ATOM 769 CB LYS A 47 -19.788 -5.605 -0.161 1.00 0.71 C ATOM 770 CG LYS A 47 -20.668 -5.922 -1.373 1.00 0.88 C ATOM 771 CD LYS A 47 -22.097 -5.444 -1.103 1.00 1.22 C ATOM 772 CE LYS A 47 -22.724 -4.943 -2.406 1.00 1.84 C ATOM 773 NZ LYS A 47 -23.916 -4.158 -1.981 1.00 2.26 N ATOM 0 H LYS A 47 -17.717 -5.615 -2.603 1.00 0.57 H new ATOM 0 HA LYS A 47 -18.370 -4.131 -0.930 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -19.713 -6.481 0.483 1.00 0.71 H new ATOM 0 HB3 LYS A 47 -20.243 -4.811 0.432 1.00 0.71 H new ATOM 0 HG2 LYS A 47 -20.271 -5.433 -2.262 1.00 0.88 H new ATOM 0 HG3 LYS A 47 -20.662 -6.994 -1.570 1.00 0.88 H new ATOM 0 HD2 LYS A 47 -22.692 -6.259 -0.691 1.00 1.22 H new ATOM 0 HD3 LYS A 47 -22.090 -4.646 -0.360 1.00 1.22 H new ATOM 0 HE2 LYS A 47 -22.024 -4.325 -2.969 1.00 1.84 H new ATOM 0 HE3 LYS A 47 -23.008 -5.773 -3.053 1.00 1.84 H new ATOM 0 HZ1 LYS A 47 -24.400 -3.781 -2.820 1.00 2.26 H new ATOM 0 HZ2 LYS A 47 -24.567 -4.774 -1.453 1.00 2.26 H new ATOM 0 HZ3 LYS A 47 -23.614 -3.371 -1.372 1.00 2.26 H new ATOM 787 N CYS A 48 -16.159 -5.651 0.202 1.00 0.40 N ATOM 788 CA CYS A 48 -15.134 -5.807 1.276 1.00 0.35 C ATOM 789 C CYS A 48 -13.782 -5.312 0.770 1.00 0.28 C ATOM 790 O CYS A 48 -13.663 -4.820 -0.335 1.00 0.33 O ATOM 791 CB CYS A 48 -15.033 -7.307 1.592 1.00 0.41 C ATOM 792 SG CYS A 48 -16.573 -8.179 1.198 1.00 0.76 S ATOM 0 H CYS A 48 -15.822 -5.809 -0.748 1.00 0.40 H new ATOM 0 HA CYS A 48 -15.411 -5.234 2.161 1.00 0.35 H new ATOM 0 HB2 CYS A 48 -14.212 -7.744 1.024 1.00 0.41 H new ATOM 0 HB3 CYS A 48 -14.798 -7.442 2.648 1.00 0.41 H new ATOM 797 N SER A 49 -12.757 -5.450 1.562 1.00 0.25 N ATOM 798 CA SER A 49 -11.413 -5.003 1.116 1.00 0.20 C ATOM 799 C SER A 49 -10.453 -6.193 1.087 1.00 0.19 C ATOM 800 O SER A 49 -10.764 -7.270 1.561 1.00 0.24 O ATOM 801 CB SER A 49 -10.965 -3.982 2.156 1.00 0.24 C ATOM 802 OG SER A 49 -10.962 -4.590 3.441 1.00 0.77 O ATOM 0 H SER A 49 -12.793 -5.853 2.498 1.00 0.25 H new ATOM 0 HA SER A 49 -11.430 -4.577 0.113 1.00 0.20 H new ATOM 0 HB2 SER A 49 -9.969 -3.612 1.914 1.00 0.24 H new ATOM 0 HB3 SER A 49 -11.634 -3.122 2.150 1.00 0.24 H new ATOM 0 HG SER A 49 -10.104 -4.419 3.882 1.00 0.77 H new ATOM 808 N TYR A 50 -9.287 -6.001 0.536 1.00 0.18 N ATOM 809 CA TYR A 50 -8.295 -7.111 0.476 1.00 0.22 C ATOM 810 C TYR A 50 -6.891 -6.543 0.252 1.00 0.20 C ATOM 811 O TYR A 50 -6.697 -5.344 0.225 1.00 0.28 O ATOM 812 CB TYR A 50 -8.726 -7.977 -0.711 1.00 0.28 C ATOM 813 CG TYR A 50 -9.075 -7.098 -1.890 1.00 0.26 C ATOM 814 CD1 TYR A 50 -8.100 -6.270 -2.459 1.00 1.18 C ATOM 815 CD2 TYR A 50 -10.373 -7.115 -2.415 1.00 1.30 C ATOM 816 CE1 TYR A 50 -8.423 -5.461 -3.555 1.00 1.15 C ATOM 817 CE2 TYR A 50 -10.694 -6.303 -3.511 1.00 1.37 C ATOM 818 CZ TYR A 50 -9.719 -5.477 -4.080 1.00 0.41 C ATOM 819 OH TYR A 50 -10.036 -4.679 -5.160 1.00 0.53 O ATOM 0 H TYR A 50 -8.977 -5.121 0.124 1.00 0.18 H new ATOM 0 HA TYR A 50 -8.263 -7.688 1.400 1.00 0.22 H new ATOM 0 HB2 TYR A 50 -7.923 -8.662 -0.983 1.00 0.28 H new ATOM 0 HB3 TYR A 50 -9.586 -8.587 -0.434 1.00 0.28 H new ATOM 0 HD1 TYR A 50 -7.099 -6.255 -2.053 1.00 1.18 H new ATOM 0 HD2 TYR A 50 -11.126 -7.753 -1.976 1.00 1.30 H new ATOM 0 HE1 TYR A 50 -7.670 -4.824 -3.996 1.00 1.15 H new ATOM 0 HE2 TYR A 50 -11.695 -6.315 -3.917 1.00 1.37 H new ATOM 0 HH TYR A 50 -10.696 -4.007 -4.888 1.00 0.53 H new ATOM 829 N THR A 51 -5.910 -7.389 0.093 1.00 0.21 N ATOM 830 CA THR A 51 -4.525 -6.882 -0.126 1.00 0.20 C ATOM 831 C THR A 51 -4.022 -7.274 -1.516 1.00 0.22 C ATOM 832 O THR A 51 -4.342 -8.326 -2.033 1.00 0.27 O ATOM 833 CB THR A 51 -3.675 -7.552 0.952 1.00 0.23 C ATOM 834 OG1 THR A 51 -3.949 -8.947 0.972 1.00 0.29 O ATOM 835 CG2 THR A 51 -4.004 -6.947 2.318 1.00 0.25 C ATOM 0 H THR A 51 -6.006 -8.404 0.105 1.00 0.21 H new ATOM 0 HA THR A 51 -4.479 -5.795 -0.067 1.00 0.20 H new ATOM 0 HB THR A 51 -2.620 -7.391 0.732 1.00 0.23 H new ATOM 0 HG1 THR A 51 -3.403 -9.378 1.662 1.00 0.29 H new ATOM 0 HG21 THR A 51 -3.396 -7.427 3.085 1.00 0.25 H new ATOM 0 HG22 THR A 51 -3.792 -5.878 2.303 1.00 0.25 H new ATOM 0 HG23 THR A 51 -5.059 -7.104 2.541 1.00 0.25 H new ATOM 843 N GLU A 52 -3.226 -6.435 -2.116 1.00 0.22 N ATOM 844 CA GLU A 52 -2.682 -6.750 -3.467 1.00 0.28 C ATOM 845 C GLU A 52 -1.163 -6.901 -3.381 1.00 0.25 C ATOM 846 O GLU A 52 -0.423 -5.965 -3.609 1.00 0.24 O ATOM 847 CB GLU A 52 -3.057 -5.549 -4.337 1.00 0.33 C ATOM 848 CG GLU A 52 -4.378 -5.832 -5.056 1.00 0.69 C ATOM 849 CD GLU A 52 -4.093 -6.475 -6.415 1.00 1.17 C ATOM 850 OE1 GLU A 52 -3.466 -5.826 -7.235 1.00 1.63 O ATOM 851 OE2 GLU A 52 -4.507 -7.606 -6.610 1.00 1.98 O ATOM 0 H GLU A 52 -2.927 -5.540 -1.728 1.00 0.22 H new ATOM 0 HA GLU A 52 -3.079 -7.680 -3.875 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -3.151 -4.655 -3.720 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -2.269 -5.353 -5.065 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -4.998 -6.494 -4.452 1.00 0.69 H new ATOM 0 HG3 GLU A 52 -4.937 -4.906 -5.190 1.00 0.69 H new ATOM 858 N ASP A 53 -0.696 -8.070 -3.037 1.00 0.27 N ATOM 859 CA ASP A 53 0.775 -8.284 -2.918 1.00 0.25 C ATOM 860 C ASP A 53 1.523 -7.567 -4.042 1.00 0.23 C ATOM 861 O ASP A 53 1.055 -7.476 -5.160 1.00 0.25 O ATOM 862 CB ASP A 53 0.972 -9.793 -3.030 1.00 0.31 C ATOM 863 CG ASP A 53 0.191 -10.496 -1.918 1.00 0.38 C ATOM 864 OD1 ASP A 53 -0.612 -9.838 -1.278 1.00 1.17 O ATOM 865 OD2 ASP A 53 0.410 -11.681 -1.726 1.00 1.11 O ATOM 0 H ASP A 53 -1.270 -8.888 -2.833 1.00 0.27 H new ATOM 0 HA ASP A 53 1.163 -7.887 -1.980 1.00 0.25 H new ATOM 0 HB2 ASP A 53 0.632 -10.143 -4.005 1.00 0.31 H new ATOM 0 HB3 ASP A 53 2.031 -10.038 -2.955 1.00 0.31 H new ATOM 870 N ALA A 54 2.687 -7.064 -3.748 1.00 0.21 N ATOM 871 CA ALA A 54 3.485 -6.352 -4.787 1.00 0.20 C ATOM 872 C ALA A 54 4.950 -6.794 -4.710 1.00 0.19 C ATOM 873 O ALA A 54 5.332 -7.552 -3.841 1.00 0.25 O ATOM 874 CB ALA A 54 3.352 -4.869 -4.444 1.00 0.22 C ATOM 0 H ALA A 54 3.124 -7.115 -2.828 1.00 0.21 H new ATOM 0 HA ALA A 54 3.138 -6.565 -5.798 1.00 0.20 H new ATOM 0 HB1 ALA A 54 3.914 -4.277 -5.166 1.00 0.22 H new ATOM 0 HB2 ALA A 54 2.301 -4.581 -4.477 1.00 0.22 H new ATOM 0 HB3 ALA A 54 3.746 -4.690 -3.443 1.00 0.22 H new ATOM 880 N GLN A 55 5.772 -6.330 -5.610 1.00 0.19 N ATOM 881 CA GLN A 55 7.208 -6.732 -5.581 1.00 0.21 C ATOM 882 C GLN A 55 8.107 -5.512 -5.799 1.00 0.21 C ATOM 883 O GLN A 55 7.824 -4.657 -6.614 1.00 0.30 O ATOM 884 CB GLN A 55 7.365 -7.726 -6.731 1.00 0.25 C ATOM 885 CG GLN A 55 8.550 -8.653 -6.447 1.00 0.31 C ATOM 886 CD GLN A 55 8.998 -9.322 -7.748 1.00 0.69 C ATOM 887 OE1 GLN A 55 9.233 -8.657 -8.737 1.00 1.55 O ATOM 888 NE2 GLN A 55 9.127 -10.620 -7.788 1.00 1.20 N ATOM 0 H GLN A 55 5.514 -5.692 -6.362 1.00 0.19 H new ATOM 0 HA GLN A 55 7.494 -7.168 -4.624 1.00 0.21 H new ATOM 0 HB2 GLN A 55 6.452 -8.310 -6.848 1.00 0.25 H new ATOM 0 HB3 GLN A 55 7.524 -7.192 -7.668 1.00 0.25 H new ATOM 0 HG2 GLN A 55 9.374 -8.085 -6.015 1.00 0.31 H new ATOM 0 HG3 GLN A 55 8.266 -9.410 -5.715 1.00 0.31 H new ATOM 0 HE21 GLN A 55 8.930 -11.178 -6.957 1.00 1.20 H new ATOM 0 HE22 GLN A 55 9.425 -11.077 -8.650 1.00 1.20 H new ATOM 897 N CYS A 56 9.191 -5.427 -5.076 1.00 0.24 N ATOM 898 CA CYS A 56 10.109 -4.266 -5.243 1.00 0.28 C ATOM 899 C CYS A 56 11.242 -4.626 -6.205 1.00 0.29 C ATOM 900 O CYS A 56 11.561 -5.783 -6.399 1.00 0.37 O ATOM 901 CB CYS A 56 10.660 -3.994 -3.843 1.00 0.35 C ATOM 902 SG CYS A 56 10.477 -2.236 -3.454 1.00 1.04 S ATOM 0 H CYS A 56 9.480 -6.112 -4.377 1.00 0.24 H new ATOM 0 HA CYS A 56 9.604 -3.394 -5.658 1.00 0.28 H new ATOM 0 HB2 CYS A 56 10.128 -4.597 -3.108 1.00 0.35 H new ATOM 0 HB3 CYS A 56 11.710 -4.281 -3.792 1.00 0.35 H new ATOM 907 N ILE A 57 11.850 -3.646 -6.811 1.00 0.27 N ATOM 908 CA ILE A 57 12.959 -3.933 -7.764 1.00 0.33 C ATOM 909 C ILE A 57 14.079 -2.902 -7.600 1.00 0.39 C ATOM 910 O ILE A 57 14.001 -2.007 -6.783 1.00 0.46 O ATOM 911 CB ILE A 57 12.327 -3.824 -9.152 1.00 0.34 C ATOM 912 CG1 ILE A 57 10.988 -4.567 -9.161 1.00 0.54 C ATOM 913 CG2 ILE A 57 13.259 -4.449 -10.191 1.00 0.51 C ATOM 914 CD1 ILE A 57 11.231 -6.063 -8.943 1.00 1.25 C ATOM 0 H ILE A 57 11.628 -2.658 -6.688 1.00 0.27 H new ATOM 0 HA ILE A 57 13.405 -4.913 -7.595 1.00 0.33 H new ATOM 0 HB ILE A 57 12.166 -2.774 -9.394 1.00 0.34 H new ATOM 0 HG12 ILE A 57 10.338 -4.176 -8.378 1.00 0.54 H new ATOM 0 HG13 ILE A 57 10.477 -4.405 -10.110 1.00 0.54 H new ATOM 0 HG21 ILE A 57 12.807 -4.370 -11.180 1.00 0.51 H new ATOM 0 HG22 ILE A 57 14.214 -3.924 -10.186 1.00 0.51 H new ATOM 0 HG23 ILE A 57 13.422 -5.499 -9.949 1.00 0.51 H new ATOM 0 HD11 ILE A 57 10.278 -6.591 -8.949 1.00 1.25 H new ATOM 0 HD12 ILE A 57 11.865 -6.449 -9.741 1.00 1.25 H new ATOM 0 HD13 ILE A 57 11.724 -6.215 -7.983 1.00 1.25 H new ATOM 926 N ASP A 58 15.123 -3.027 -8.371 1.00 0.43 N ATOM 927 CA ASP A 58 16.258 -2.064 -8.266 1.00 0.52 C ATOM 928 C ASP A 58 15.761 -0.620 -8.398 1.00 0.53 C ATOM 929 O ASP A 58 15.574 -0.114 -9.486 1.00 0.66 O ATOM 930 CB ASP A 58 17.179 -2.417 -9.433 1.00 0.64 C ATOM 931 CG ASP A 58 18.626 -2.093 -9.056 1.00 0.81 C ATOM 932 OD1 ASP A 58 19.246 -2.915 -8.402 1.00 1.46 O ATOM 933 OD2 ASP A 58 19.090 -1.027 -9.428 1.00 1.26 O ATOM 0 H ASP A 58 15.241 -3.758 -9.073 1.00 0.43 H new ATOM 0 HA ASP A 58 16.763 -2.133 -7.302 1.00 0.52 H new ATOM 0 HB2 ASP A 58 17.084 -3.475 -9.678 1.00 0.64 H new ATOM 0 HB3 ASP A 58 16.889 -1.856 -10.322 1.00 0.64 H new ATOM 938 N GLY A 59 15.555 0.047 -7.295 1.00 0.47 N ATOM 939 CA GLY A 59 15.082 1.461 -7.349 1.00 0.52 C ATOM 940 C GLY A 59 13.842 1.573 -8.238 1.00 0.45 C ATOM 941 O GLY A 59 13.494 2.643 -8.697 1.00 0.54 O ATOM 0 H GLY A 59 15.694 -0.327 -6.356 1.00 0.47 H new ATOM 0 HA2 GLY A 59 14.850 1.813 -6.344 1.00 0.52 H new ATOM 0 HA3 GLY A 59 15.874 2.102 -7.736 1.00 0.52 H new ATOM 945 N THR A 60 13.168 0.484 -8.484 1.00 0.42 N ATOM 946 CA THR A 60 11.949 0.546 -9.343 1.00 0.39 C ATOM 947 C THR A 60 10.855 -0.359 -8.774 1.00 0.34 C ATOM 948 O THR A 60 11.130 -1.393 -8.202 1.00 0.34 O ATOM 949 CB THR A 60 12.397 0.043 -10.713 1.00 0.42 C ATOM 950 OG1 THR A 60 13.418 0.892 -11.218 1.00 0.50 O ATOM 951 CG2 THR A 60 11.206 0.047 -11.674 1.00 0.49 C ATOM 0 H THR A 60 13.406 -0.443 -8.130 1.00 0.42 H new ATOM 0 HA THR A 60 11.536 1.553 -9.395 1.00 0.39 H new ATOM 0 HB THR A 60 12.782 -0.972 -10.619 1.00 0.42 H new ATOM 0 HG1 THR A 60 14.262 0.697 -10.760 1.00 0.50 H new ATOM 0 HG21 THR A 60 11.526 -0.312 -12.652 1.00 0.49 H new ATOM 0 HG22 THR A 60 10.423 -0.605 -11.286 1.00 0.49 H new ATOM 0 HG23 THR A 60 10.819 1.061 -11.769 1.00 0.49 H new ATOM 959 N ILE A 61 9.617 0.017 -8.927 1.00 0.36 N ATOM 960 CA ILE A 61 8.511 -0.830 -8.394 1.00 0.33 C ATOM 961 C ILE A 61 7.200 -0.503 -9.112 1.00 0.37 C ATOM 962 O ILE A 61 6.947 0.627 -9.480 1.00 0.44 O ATOM 963 CB ILE A 61 8.415 -0.477 -6.910 1.00 0.36 C ATOM 964 CG1 ILE A 61 7.099 -1.016 -6.344 1.00 0.49 C ATOM 965 CG2 ILE A 61 8.457 1.043 -6.740 1.00 0.34 C ATOM 966 CD1 ILE A 61 7.373 -1.757 -5.034 1.00 0.57 C ATOM 0 H ILE A 61 9.322 0.873 -9.397 1.00 0.36 H new ATOM 0 HA ILE A 61 8.698 -1.893 -8.546 1.00 0.33 H new ATOM 0 HB ILE A 61 9.254 -0.924 -6.376 1.00 0.36 H new ATOM 0 HG12 ILE A 61 6.402 -0.196 -6.171 1.00 0.49 H new ATOM 0 HG13 ILE A 61 6.629 -1.688 -7.063 1.00 0.49 H new ATOM 0 HG21 ILE A 61 8.388 1.293 -5.681 1.00 0.34 H new ATOM 0 HG22 ILE A 61 9.393 1.429 -7.144 1.00 0.34 H new ATOM 0 HG23 ILE A 61 7.619 1.492 -7.274 1.00 0.34 H new ATOM 0 HD11 ILE A 61 6.436 -2.141 -4.630 1.00 0.57 H new ATOM 0 HD12 ILE A 61 8.055 -2.587 -5.221 1.00 0.57 H new ATOM 0 HD13 ILE A 61 7.824 -1.072 -4.316 1.00 0.57 H new ATOM 978 N GLU A 62 6.365 -1.484 -9.312 1.00 0.38 N ATOM 979 CA GLU A 62 5.070 -1.231 -10.006 1.00 0.48 C ATOM 980 C GLU A 62 3.913 -1.299 -9.004 1.00 0.48 C ATOM 981 O GLU A 62 3.286 -2.325 -8.835 1.00 0.90 O ATOM 982 CB GLU A 62 4.949 -2.350 -11.039 1.00 0.56 C ATOM 983 CG GLU A 62 5.608 -1.910 -12.348 1.00 1.01 C ATOM 984 CD GLU A 62 4.884 -2.559 -13.528 1.00 1.60 C ATOM 985 OE1 GLU A 62 3.675 -2.703 -13.449 1.00 2.12 O ATOM 986 OE2 GLU A 62 5.550 -2.903 -14.491 1.00 2.30 O ATOM 0 H GLU A 62 6.522 -2.450 -9.025 1.00 0.38 H new ATOM 0 HA GLU A 62 5.034 -0.244 -10.468 1.00 0.48 H new ATOM 0 HB2 GLU A 62 5.426 -3.257 -10.666 1.00 0.56 H new ATOM 0 HB3 GLU A 62 3.899 -2.589 -11.210 1.00 0.56 H new ATOM 0 HG2 GLU A 62 5.572 -0.824 -12.438 1.00 1.01 H new ATOM 0 HG3 GLU A 62 6.660 -2.196 -12.352 1.00 1.01 H new ATOM 993 N VAL A 63 3.626 -0.212 -8.340 1.00 0.63 N ATOM 994 CA VAL A 63 2.511 -0.217 -7.350 1.00 0.62 C ATOM 995 C VAL A 63 1.216 -0.710 -8.013 1.00 0.63 C ATOM 996 O VAL A 63 0.977 -0.432 -9.172 1.00 0.77 O ATOM 997 CB VAL A 63 2.368 1.240 -6.911 1.00 0.79 C ATOM 998 CG1 VAL A 63 1.074 1.411 -6.114 1.00 1.09 C ATOM 999 CG2 VAL A 63 3.561 1.626 -6.035 1.00 1.31 C ATOM 0 H VAL A 63 4.114 0.678 -8.440 1.00 0.63 H new ATOM 0 HA VAL A 63 2.708 -0.880 -6.507 1.00 0.62 H new ATOM 0 HB VAL A 63 2.338 1.883 -7.791 1.00 0.79 H new ATOM 0 HG11 VAL A 63 0.974 2.450 -5.802 1.00 1.09 H new ATOM 0 HG12 VAL A 63 0.223 1.136 -6.738 1.00 1.09 H new ATOM 0 HG13 VAL A 63 1.101 0.769 -5.234 1.00 1.09 H new ATOM 0 HG21 VAL A 63 3.461 2.665 -5.721 1.00 1.31 H new ATOM 0 HG22 VAL A 63 3.590 0.982 -5.156 1.00 1.31 H new ATOM 0 HG23 VAL A 63 4.483 1.506 -6.603 1.00 1.31 H new ATOM 1009 N PRO A 64 0.419 -1.429 -7.259 1.00 0.53 N ATOM 1010 CA PRO A 64 -0.860 -1.957 -7.791 1.00 0.60 C ATOM 1011 C PRO A 64 -1.789 -0.808 -8.198 1.00 0.77 C ATOM 1012 O PRO A 64 -2.061 0.087 -7.422 1.00 0.82 O ATOM 1013 CB PRO A 64 -1.428 -2.732 -6.597 1.00 0.48 C ATOM 1014 CG PRO A 64 -0.444 -2.617 -5.417 1.00 0.38 C ATOM 1015 CD PRO A 64 0.745 -1.747 -5.849 1.00 0.42 C ATOM 0 HA PRO A 64 -0.743 -2.571 -8.684 1.00 0.60 H new ATOM 0 HB2 PRO A 64 -2.402 -2.332 -6.316 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -1.578 -3.778 -6.863 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -0.941 -2.176 -4.553 1.00 0.38 H new ATOM 0 HG3 PRO A 64 -0.099 -3.606 -5.116 1.00 0.38 H new ATOM 0 HD2 PRO A 64 0.831 -0.847 -5.240 1.00 0.42 H new ATOM 0 HD3 PRO A 64 1.691 -2.282 -5.763 1.00 0.42 H new ATOM 1023 N LYS A 65 -2.274 -0.826 -9.409 1.00 1.01 N ATOM 1024 CA LYS A 65 -3.182 0.266 -9.865 1.00 1.20 C ATOM 1025 C LYS A 65 -4.317 0.471 -8.858 1.00 1.11 C ATOM 1026 O LYS A 65 -4.580 1.574 -8.423 1.00 1.23 O ATOM 1027 CB LYS A 65 -3.736 -0.214 -11.207 1.00 1.41 C ATOM 1028 CG LYS A 65 -3.311 0.755 -12.311 1.00 1.75 C ATOM 1029 CD LYS A 65 -3.281 0.020 -13.653 1.00 2.25 C ATOM 1030 CE LYS A 65 -4.714 -0.235 -14.127 1.00 2.90 C ATOM 1031 NZ LYS A 65 -4.567 -0.954 -15.422 1.00 3.76 N ATOM 0 H LYS A 65 -2.081 -1.549 -10.103 1.00 1.01 H new ATOM 0 HA LYS A 65 -2.664 1.221 -9.955 1.00 1.20 H new ATOM 0 HB2 LYS A 65 -3.368 -1.216 -11.427 1.00 1.41 H new ATOM 0 HB3 LYS A 65 -4.823 -0.276 -11.162 1.00 1.41 H new ATOM 0 HG2 LYS A 65 -4.005 1.594 -12.360 1.00 1.75 H new ATOM 0 HG3 LYS A 65 -2.327 1.167 -12.088 1.00 1.75 H new ATOM 0 HD2 LYS A 65 -2.742 0.612 -14.392 1.00 2.25 H new ATOM 0 HD3 LYS A 65 -2.747 -0.925 -13.551 1.00 2.25 H new ATOM 0 HE2 LYS A 65 -5.269 -0.833 -13.404 1.00 2.90 H new ATOM 0 HE3 LYS A 65 -5.260 0.700 -14.254 1.00 2.90 H new ATOM 0 HZ1 LYS A 65 -5.508 -1.165 -15.811 1.00 3.76 H new ATOM 0 HZ2 LYS A 65 -4.041 -0.358 -16.092 1.00 3.76 H new ATOM 0 HZ3 LYS A 65 -4.049 -1.843 -15.269 1.00 3.76 H new ATOM 1045 N CYS A 66 -4.993 -0.583 -8.487 1.00 0.97 N ATOM 1046 CA CYS A 66 -6.111 -0.445 -7.510 1.00 0.95 C ATOM 1047 C CYS A 66 -5.710 0.504 -6.377 1.00 0.97 C ATOM 1048 O CYS A 66 -6.541 1.166 -5.786 1.00 1.13 O ATOM 1049 CB CYS A 66 -6.344 -1.855 -6.970 1.00 0.90 C ATOM 1050 SG CYS A 66 -7.770 -1.846 -5.855 1.00 1.20 S ATOM 0 H CYS A 66 -4.820 -1.532 -8.818 1.00 0.97 H new ATOM 0 HA CYS A 66 -7.009 -0.031 -7.968 1.00 0.95 H new ATOM 0 HB2 CYS A 66 -6.517 -2.547 -7.794 1.00 0.90 H new ATOM 0 HB3 CYS A 66 -5.457 -2.205 -6.441 1.00 0.90 H new ATOM 1055 N PHE A 67 -4.445 0.574 -6.070 1.00 0.91 N ATOM 1056 CA PHE A 67 -3.992 1.481 -4.976 1.00 1.00 C ATOM 1057 C PHE A 67 -4.467 2.912 -5.244 1.00 1.34 C ATOM 1058 O PHE A 67 -5.000 3.213 -6.293 1.00 1.63 O ATOM 1059 CB PHE A 67 -2.466 1.407 -5.007 1.00 0.96 C ATOM 1060 CG PHE A 67 -1.895 2.340 -3.967 1.00 1.01 C ATOM 1061 CD1 PHE A 67 -2.148 2.114 -2.609 1.00 1.71 C ATOM 1062 CD2 PHE A 67 -1.113 3.433 -4.360 1.00 1.45 C ATOM 1063 CE1 PHE A 67 -1.620 2.980 -1.644 1.00 1.78 C ATOM 1064 CE2 PHE A 67 -0.585 4.298 -3.395 1.00 1.51 C ATOM 1065 CZ PHE A 67 -0.838 4.072 -2.037 1.00 1.19 C ATOM 0 H PHE A 67 -3.704 0.043 -6.528 1.00 0.91 H new ATOM 0 HA PHE A 67 -4.394 1.191 -4.005 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -2.137 0.386 -4.815 1.00 0.96 H new ATOM 0 HB3 PHE A 67 -2.098 1.679 -5.996 1.00 0.96 H new ATOM 0 HD1 PHE A 67 -2.751 1.271 -2.305 1.00 1.71 H new ATOM 0 HD2 PHE A 67 -0.917 3.608 -5.408 1.00 1.45 H new ATOM 0 HE1 PHE A 67 -1.816 2.805 -0.596 1.00 1.78 H new ATOM 0 HE2 PHE A 67 0.018 5.141 -3.698 1.00 1.51 H new ATOM 0 HZ PHE A 67 -0.430 4.740 -1.293 1.00 1.19 H new ATOM 1075 N LYS A 68 -4.275 3.795 -4.302 1.00 1.56 N ATOM 1076 CA LYS A 68 -4.713 5.207 -4.501 1.00 2.02 C ATOM 1077 C LYS A 68 -3.768 6.155 -3.760 1.00 1.94 C ATOM 1078 O LYS A 68 -3.818 6.280 -2.553 1.00 2.17 O ATOM 1079 CB LYS A 68 -6.120 5.274 -3.906 1.00 2.63 C ATOM 1080 CG LYS A 68 -7.141 4.842 -4.960 1.00 3.23 C ATOM 1081 CD LYS A 68 -8.223 5.916 -5.093 1.00 3.74 C ATOM 1082 CE LYS A 68 -9.536 5.394 -4.506 1.00 4.57 C ATOM 1083 NZ LYS A 68 -10.605 6.087 -5.278 1.00 5.17 N ATOM 0 H LYS A 68 -3.834 3.600 -3.403 1.00 1.56 H new ATOM 0 HA LYS A 68 -4.704 5.502 -5.550 1.00 2.02 H new ATOM 0 HB2 LYS A 68 -6.188 4.626 -3.032 1.00 2.63 H new ATOM 0 HB3 LYS A 68 -6.336 6.288 -3.569 1.00 2.63 H new ATOM 0 HG2 LYS A 68 -6.646 4.688 -5.919 1.00 3.23 H new ATOM 0 HG3 LYS A 68 -7.591 3.890 -4.677 1.00 3.23 H new ATOM 0 HD2 LYS A 68 -7.915 6.823 -4.573 1.00 3.74 H new ATOM 0 HD3 LYS A 68 -8.361 6.180 -6.141 1.00 3.74 H new ATOM 0 HE2 LYS A 68 -9.612 4.312 -4.610 1.00 4.57 H new ATOM 0 HE3 LYS A 68 -9.609 5.618 -3.442 1.00 4.57 H new ATOM 0 HZ1 LYS A 68 -11.537 5.780 -4.933 1.00 5.17 H new ATOM 0 HZ2 LYS A 68 -10.511 7.115 -5.155 1.00 5.17 H new ATOM 0 HZ3 LYS A 68 -10.514 5.850 -6.287 1.00 5.17 H new ATOM 1097 N GLU A 69 -2.903 6.820 -4.476 1.00 1.90 N ATOM 1098 CA GLU A 69 -1.948 7.758 -3.816 1.00 2.03 C ATOM 1099 C GLU A 69 -2.659 8.566 -2.724 1.00 2.49 C ATOM 1100 O GLU A 69 -2.240 8.585 -1.584 1.00 3.17 O ATOM 1101 CB GLU A 69 -1.461 8.675 -4.936 1.00 2.28 C ATOM 1102 CG GLU A 69 -0.762 9.894 -4.333 1.00 2.85 C ATOM 1103 CD GLU A 69 -0.383 10.870 -5.448 1.00 3.34 C ATOM 1104 OE1 GLU A 69 -1.280 11.343 -6.125 1.00 3.56 O ATOM 1105 OE2 GLU A 69 0.800 11.127 -5.604 1.00 3.96 O ATOM 0 H GLU A 69 -2.815 6.755 -5.490 1.00 1.90 H new ATOM 0 HA GLU A 69 -1.125 7.235 -3.330 1.00 2.03 H new ATOM 0 HB2 GLU A 69 -0.775 8.136 -5.589 1.00 2.28 H new ATOM 0 HB3 GLU A 69 -2.303 8.993 -5.551 1.00 2.28 H new ATOM 0 HG2 GLU A 69 -1.419 10.384 -3.614 1.00 2.85 H new ATOM 0 HG3 GLU A 69 0.130 9.583 -3.789 1.00 2.85 H new ATOM 1112 N HIS A 70 -3.733 9.230 -3.060 1.00 2.57 N ATOM 1113 CA HIS A 70 -4.462 10.029 -2.033 1.00 3.03 C ATOM 1114 C HIS A 70 -5.899 10.304 -2.487 1.00 3.02 C ATOM 1115 O HIS A 70 -6.816 10.327 -1.691 1.00 3.38 O ATOM 1116 CB HIS A 70 -3.679 11.337 -1.909 1.00 3.78 C ATOM 1117 CG HIS A 70 -3.614 12.013 -3.249 1.00 4.42 C ATOM 1118 ND1 HIS A 70 -3.274 11.547 -4.493 1.00 5.33 N flip ATOM 1119 CD2 HIS A 70 -3.925 13.354 -3.419 1.00 4.74 C flip ATOM 1120 CE1 HIS A 70 -3.370 12.578 -5.423 1.00 6.00 C flip ATOM 1121 NE2 HIS A 70 -3.766 13.643 -4.724 1.00 5.72 N flip ATOM 0 H HIS A 70 -4.135 9.254 -3.997 1.00 2.57 H new ATOM 0 HA HIS A 70 -4.528 9.503 -1.081 1.00 3.03 H new ATOM 0 HB2 HIS A 70 -4.159 11.993 -1.182 1.00 3.78 H new ATOM 0 HB3 HIS A 70 -2.672 11.137 -1.542 1.00 3.78 H new ATOM 0 HD2 HIS A 70 -4.237 14.040 -2.646 1.00 4.74 H new ATOM 0 HE1 HIS A 70 -3.167 12.527 -6.483 1.00 6.00 H new ATOM 0 HE2 HIS A 70 -3.929 14.565 -5.129 1.00 5.72 H new ATOM 1129 N SER A 71 -6.104 10.512 -3.760 1.00 3.28 N ATOM 1130 CA SER A 71 -7.484 10.785 -4.256 1.00 3.84 C ATOM 1131 C SER A 71 -8.167 11.824 -3.364 1.00 4.00 C ATOM 1132 O SER A 71 -8.731 11.501 -2.338 1.00 4.35 O ATOM 1133 CB SER A 71 -8.209 9.443 -4.168 1.00 4.50 C ATOM 1134 OG SER A 71 -8.410 8.933 -5.479 1.00 5.05 O ATOM 0 H SER A 71 -5.378 10.505 -4.476 1.00 3.28 H new ATOM 0 HA SER A 71 -7.488 11.184 -5.270 1.00 3.84 H new ATOM 0 HB2 SER A 71 -7.624 8.738 -3.577 1.00 4.50 H new ATOM 0 HB3 SER A 71 -9.167 9.566 -3.662 1.00 4.50 H new ATOM 0 HG SER A 71 -9.348 8.670 -5.588 1.00 5.05 H new ATOM 1140 N SER A 72 -8.120 13.071 -3.746 1.00 4.16 N ATOM 1141 CA SER A 72 -8.766 14.130 -2.918 1.00 4.62 C ATOM 1142 C SER A 72 -10.241 13.795 -2.685 1.00 4.42 C ATOM 1143 O SER A 72 -10.673 12.678 -2.889 1.00 4.50 O ATOM 1144 CB SER A 72 -8.632 15.412 -3.738 1.00 5.33 C ATOM 1145 OG SER A 72 -7.265 15.611 -4.078 1.00 5.62 O ATOM 0 H SER A 72 -7.663 13.403 -4.595 1.00 4.16 H new ATOM 0 HA SER A 72 -8.303 14.224 -1.936 1.00 4.62 H new ATOM 0 HB2 SER A 72 -9.237 15.344 -4.642 1.00 5.33 H new ATOM 0 HB3 SER A 72 -9.005 16.263 -3.168 1.00 5.33 H new ATOM 0 HG SER A 72 -7.175 16.432 -4.606 1.00 5.62 H new ATOM 1151 N LEU A 73 -11.017 14.754 -2.261 1.00 4.58 N ATOM 1152 CA LEU A 73 -12.464 14.492 -2.016 1.00 4.72 C ATOM 1153 C LEU A 73 -12.634 13.357 -1.001 1.00 4.54 C ATOM 1154 O LEU A 73 -13.046 12.265 -1.341 1.00 4.62 O ATOM 1155 CB LEU A 73 -13.029 14.084 -3.377 1.00 5.25 C ATOM 1156 CG LEU A 73 -13.450 15.335 -4.149 1.00 5.91 C ATOM 1157 CD1 LEU A 73 -12.500 15.552 -5.329 1.00 6.60 C ATOM 1158 CD2 LEU A 73 -14.876 15.154 -4.671 1.00 6.41 C ATOM 0 H LEU A 73 -10.712 15.709 -2.073 1.00 4.58 H new ATOM 0 HA LEU A 73 -12.977 15.362 -1.606 1.00 4.72 H new ATOM 0 HB2 LEU A 73 -12.280 13.529 -3.942 1.00 5.25 H new ATOM 0 HB3 LEU A 73 -13.884 13.421 -3.244 1.00 5.25 H new ATOM 0 HG LEU A 73 -13.410 16.200 -3.487 1.00 5.91 H new ATOM 0 HD11 LEU A 73 -12.801 16.444 -5.879 1.00 6.60 H new ATOM 0 HD12 LEU A 73 -11.483 15.680 -4.959 1.00 6.60 H new ATOM 0 HD13 LEU A 73 -12.539 14.687 -5.991 1.00 6.60 H new ATOM 0 HD21 LEU A 73 -15.178 16.045 -5.222 1.00 6.41 H new ATOM 0 HD22 LEU A 73 -14.914 14.288 -5.332 1.00 6.41 H new ATOM 0 HD23 LEU A 73 -15.554 14.999 -3.832 1.00 6.41 H new ATOM 1170 N ALA A 74 -12.323 13.606 0.242 1.00 4.78 N ATOM 1171 CA ALA A 74 -12.470 12.542 1.276 1.00 5.08 C ATOM 1172 C ALA A 74 -13.889 12.557 1.848 1.00 4.67 C ATOM 1173 O ALA A 74 -14.179 13.259 2.796 1.00 4.78 O ATOM 1174 CB ALA A 74 -11.450 12.896 2.358 1.00 5.83 C ATOM 0 H ALA A 74 -11.973 14.500 0.586 1.00 4.78 H new ATOM 0 HA ALA A 74 -12.301 11.544 0.871 1.00 5.08 H new ATOM 0 HB1 ALA A 74 -11.497 12.157 3.158 1.00 5.83 H new ATOM 0 HB2 ALA A 74 -10.449 12.901 1.927 1.00 5.83 H new ATOM 0 HB3 ALA A 74 -11.676 13.883 2.762 1.00 5.83 H new ATOM 1180 N PHE A 75 -14.779 11.791 1.278 1.00 4.60 N ATOM 1181 CA PHE A 75 -16.180 11.765 1.789 1.00 4.48 C ATOM 1182 C PHE A 75 -16.449 10.463 2.546 1.00 4.21 C ATOM 1183 O PHE A 75 -15.539 9.792 2.992 1.00 4.63 O ATOM 1184 CB PHE A 75 -17.058 11.849 0.540 1.00 5.12 C ATOM 1185 CG PHE A 75 -17.669 13.226 0.444 1.00 5.75 C ATOM 1186 CD1 PHE A 75 -16.925 14.287 -0.087 1.00 6.24 C ATOM 1187 CD2 PHE A 75 -18.979 13.442 0.887 1.00 6.22 C ATOM 1188 CE1 PHE A 75 -17.492 15.564 -0.174 1.00 7.12 C ATOM 1189 CE2 PHE A 75 -19.546 14.720 0.798 1.00 7.10 C ATOM 1190 CZ PHE A 75 -18.802 15.780 0.268 1.00 7.52 C ATOM 0 H PHE A 75 -14.597 11.182 0.480 1.00 4.60 H new ATOM 0 HA PHE A 75 -16.378 12.580 2.485 1.00 4.48 H new ATOM 0 HB2 PHE A 75 -16.464 11.641 -0.350 1.00 5.12 H new ATOM 0 HB3 PHE A 75 -17.843 11.094 0.583 1.00 5.12 H new ATOM 0 HD1 PHE A 75 -15.914 14.120 -0.429 1.00 6.24 H new ATOM 0 HD2 PHE A 75 -19.552 12.624 1.297 1.00 6.22 H new ATOM 0 HE1 PHE A 75 -16.918 16.383 -0.582 1.00 7.12 H new ATOM 0 HE2 PHE A 75 -20.557 14.887 1.138 1.00 7.10 H new ATOM 0 HZ PHE A 75 -19.239 16.765 0.200 1.00 7.52 H new ATOM 1200 N TRP A 76 -17.695 10.102 2.696 1.00 3.83 N ATOM 1201 CA TRP A 76 -18.027 8.845 3.425 1.00 3.82 C ATOM 1202 C TRP A 76 -17.397 7.639 2.725 1.00 3.22 C ATOM 1203 O TRP A 76 -17.961 7.077 1.807 1.00 3.59 O ATOM 1204 CB TRP A 76 -19.548 8.757 3.380 1.00 4.57 C ATOM 1205 CG TRP A 76 -20.096 9.163 4.707 1.00 5.44 C ATOM 1206 CD1 TRP A 76 -20.222 8.348 5.777 1.00 5.94 C ATOM 1207 CD2 TRP A 76 -20.579 10.469 5.128 1.00 6.25 C ATOM 1208 NE1 TRP A 76 -20.766 9.068 6.826 1.00 6.89 N ATOM 1209 CE2 TRP A 76 -21.001 10.382 6.475 1.00 7.13 C ATOM 1210 CE3 TRP A 76 -20.691 11.706 4.475 1.00 6.58 C ATOM 1211 CZ2 TRP A 76 -21.521 11.487 7.150 1.00 8.18 C ATOM 1212 CZ3 TRP A 76 -21.213 12.822 5.150 1.00 7.71 C ATOM 1213 CH2 TRP A 76 -21.627 12.713 6.485 1.00 8.46 C ATOM 0 H TRP A 76 -18.498 10.624 2.345 1.00 3.83 H new ATOM 0 HA TRP A 76 -17.647 8.848 4.446 1.00 3.82 H new ATOM 0 HB2 TRP A 76 -19.940 9.405 2.596 1.00 4.57 H new ATOM 0 HB3 TRP A 76 -19.860 7.741 3.139 1.00 4.57 H new ATOM 0 HD1 TRP A 76 -19.944 7.305 5.809 1.00 5.94 H new ATOM 0 HE1 TRP A 76 -20.968 8.676 7.746 1.00 6.89 H new ATOM 0 HE3 TRP A 76 -20.374 11.801 3.447 1.00 6.58 H new ATOM 0 HZ2 TRP A 76 -21.839 11.396 8.178 1.00 8.18 H new ATOM 0 HZ3 TRP A 76 -21.296 13.769 4.638 1.00 7.71 H new ATOM 0 HH2 TRP A 76 -22.027 13.574 6.999 1.00 8.46 H new ATOM 1224 N LYS A 77 -16.231 7.235 3.152 1.00 2.86 N ATOM 1225 CA LYS A 77 -15.567 6.064 2.510 1.00 2.83 C ATOM 1226 C LYS A 77 -14.232 5.769 3.200 1.00 2.34 C ATOM 1227 O LYS A 77 -13.274 6.504 3.060 1.00 2.56 O ATOM 1228 CB LYS A 77 -15.336 6.487 1.059 1.00 3.70 C ATOM 1229 CG LYS A 77 -14.456 7.738 1.026 1.00 4.43 C ATOM 1230 CD LYS A 77 -14.930 8.666 -0.094 1.00 5.42 C ATOM 1231 CE LYS A 77 -13.723 9.152 -0.899 1.00 6.25 C ATOM 1232 NZ LYS A 77 -14.245 9.376 -2.275 1.00 6.95 N ATOM 0 H LYS A 77 -15.710 7.664 3.917 1.00 2.86 H new ATOM 0 HA LYS A 77 -16.169 5.158 2.581 1.00 2.83 H new ATOM 0 HB2 LYS A 77 -14.858 5.679 0.505 1.00 3.70 H new ATOM 0 HB3 LYS A 77 -16.290 6.687 0.571 1.00 3.70 H new ATOM 0 HG2 LYS A 77 -14.503 8.254 1.985 1.00 4.43 H new ATOM 0 HG3 LYS A 77 -13.415 7.459 0.865 1.00 4.43 H new ATOM 0 HD2 LYS A 77 -15.627 8.140 -0.746 1.00 5.42 H new ATOM 0 HD3 LYS A 77 -15.466 9.517 0.327 1.00 5.42 H new ATOM 0 HE2 LYS A 77 -13.311 10.069 -0.479 1.00 6.25 H new ATOM 0 HE3 LYS A 77 -12.922 8.412 -0.896 1.00 6.25 H new ATOM 0 HZ1 LYS A 77 -13.475 9.711 -2.888 1.00 6.95 H new ATOM 0 HZ2 LYS A 77 -14.624 8.484 -2.652 1.00 6.95 H new ATOM 0 HZ3 LYS A 77 -15.001 10.090 -2.248 1.00 6.95 H new ATOM 1246 N THR A 78 -14.161 4.699 3.944 1.00 2.26 N ATOM 1247 CA THR A 78 -12.887 4.359 4.641 1.00 1.81 C ATOM 1248 C THR A 78 -11.873 3.794 3.642 1.00 1.37 C ATOM 1249 O THR A 78 -12.216 3.040 2.754 1.00 1.45 O ATOM 1250 CB THR A 78 -13.272 3.298 5.674 1.00 1.83 C ATOM 1251 OG1 THR A 78 -14.628 3.482 6.056 1.00 2.22 O ATOM 1252 CG2 THR A 78 -12.373 3.430 6.903 1.00 1.72 C ATOM 0 H THR A 78 -14.929 4.046 4.100 1.00 2.26 H new ATOM 0 HA THR A 78 -12.424 5.230 5.105 1.00 1.81 H new ATOM 0 HB THR A 78 -13.147 2.306 5.240 1.00 1.83 H new ATOM 0 HG1 THR A 78 -14.877 2.802 6.716 1.00 2.22 H new ATOM 0 HG21 THR A 78 -12.648 2.674 7.638 1.00 1.72 H new ATOM 0 HG22 THR A 78 -11.333 3.289 6.610 1.00 1.72 H new ATOM 0 HG23 THR A 78 -12.496 4.421 7.339 1.00 1.72 H new ATOM 1260 N ASP A 79 -10.627 4.154 3.780 1.00 1.11 N ATOM 1261 CA ASP A 79 -9.593 3.638 2.837 1.00 0.89 C ATOM 1262 C ASP A 79 -9.413 2.129 3.023 1.00 0.63 C ATOM 1263 O ASP A 79 -9.384 1.630 4.130 1.00 0.63 O ATOM 1264 CB ASP A 79 -8.310 4.383 3.210 1.00 1.07 C ATOM 1265 CG ASP A 79 -8.526 5.888 3.047 1.00 1.69 C ATOM 1266 OD1 ASP A 79 -9.434 6.260 2.323 1.00 2.49 O ATOM 1267 OD2 ASP A 79 -7.781 6.642 3.649 1.00 2.26 O ATOM 0 H ASP A 79 -10.279 4.783 4.504 1.00 1.11 H new ATOM 0 HA ASP A 79 -9.868 3.798 1.794 1.00 0.89 H new ATOM 0 HB2 ASP A 79 -8.031 4.155 4.239 1.00 1.07 H new ATOM 0 HB3 ASP A 79 -7.488 4.052 2.575 1.00 1.07 H new ATOM 1272 N ALA A 80 -9.292 1.401 1.946 1.00 0.52 N ATOM 1273 CA ALA A 80 -9.114 -0.076 2.058 1.00 0.37 C ATOM 1274 C ALA A 80 -8.135 -0.410 3.188 1.00 0.35 C ATOM 1275 O ALA A 80 -8.273 -1.408 3.867 1.00 0.42 O ATOM 1276 CB ALA A 80 -8.542 -0.510 0.709 1.00 0.48 C ATOM 0 H ALA A 80 -9.309 1.765 0.993 1.00 0.52 H new ATOM 0 HA ALA A 80 -10.049 -0.586 2.288 1.00 0.37 H new ATOM 0 HB1 ALA A 80 -8.382 -1.588 0.711 1.00 0.48 H new ATOM 0 HB2 ALA A 80 -9.242 -0.249 -0.084 1.00 0.48 H new ATOM 0 HB3 ALA A 80 -7.593 -0.003 0.536 1.00 0.48 H new ATOM 1282 N SER A 81 -7.148 0.418 3.392 1.00 0.42 N ATOM 1283 CA SER A 81 -6.161 0.148 4.476 1.00 0.51 C ATOM 1284 C SER A 81 -6.865 0.085 5.834 1.00 0.54 C ATOM 1285 O SER A 81 -6.301 -0.355 6.816 1.00 0.63 O ATOM 1286 CB SER A 81 -5.192 1.329 4.430 1.00 0.68 C ATOM 1287 OG SER A 81 -4.782 1.650 5.753 1.00 1.44 O ATOM 0 H SER A 81 -6.982 1.269 2.856 1.00 0.42 H new ATOM 0 HA SER A 81 -5.651 -0.806 4.340 1.00 0.51 H new ATOM 0 HB2 SER A 81 -4.325 1.080 3.818 1.00 0.68 H new ATOM 0 HB3 SER A 81 -5.672 2.191 3.966 1.00 0.68 H new ATOM 0 HG SER A 81 -4.159 2.406 5.728 1.00 1.44 H new ATOM 1293 N ASP A 82 -8.094 0.521 5.901 1.00 0.54 N ATOM 1294 CA ASP A 82 -8.827 0.486 7.200 1.00 0.65 C ATOM 1295 C ASP A 82 -10.164 -0.244 7.041 1.00 0.59 C ATOM 1296 O ASP A 82 -11.121 0.038 7.735 1.00 0.67 O ATOM 1297 CB ASP A 82 -9.056 1.951 7.563 1.00 0.77 C ATOM 1298 CG ASP A 82 -7.711 2.634 7.811 1.00 0.84 C ATOM 1299 OD1 ASP A 82 -7.160 2.442 8.882 1.00 1.33 O ATOM 1300 OD2 ASP A 82 -7.253 3.337 6.926 1.00 1.40 O ATOM 0 H ASP A 82 -8.622 0.899 5.114 1.00 0.54 H new ATOM 0 HA ASP A 82 -8.270 -0.045 7.972 1.00 0.65 H new ATOM 0 HB2 ASP A 82 -9.589 2.457 6.758 1.00 0.77 H new ATOM 0 HB3 ASP A 82 -9.681 2.022 8.453 1.00 0.77 H new ATOM 1305 N VAL A 83 -10.236 -1.180 6.136 1.00 0.50 N ATOM 1306 CA VAL A 83 -11.514 -1.927 5.940 1.00 0.49 C ATOM 1307 C VAL A 83 -11.331 -3.396 6.327 1.00 0.53 C ATOM 1308 O VAL A 83 -10.226 -3.881 6.461 1.00 0.55 O ATOM 1309 CB VAL A 83 -11.828 -1.805 4.449 1.00 0.41 C ATOM 1310 CG1 VAL A 83 -13.293 -2.174 4.206 1.00 0.46 C ATOM 1311 CG2 VAL A 83 -11.585 -0.366 3.990 1.00 0.46 C ATOM 0 H VAL A 83 -9.469 -1.461 5.525 1.00 0.50 H new ATOM 0 HA VAL A 83 -12.319 -1.530 6.558 1.00 0.49 H new ATOM 0 HB VAL A 83 -11.182 -2.480 3.887 1.00 0.41 H new ATOM 0 HG11 VAL A 83 -13.519 -2.087 3.143 1.00 0.46 H new ATOM 0 HG12 VAL A 83 -13.469 -3.199 4.532 1.00 0.46 H new ATOM 0 HG13 VAL A 83 -13.937 -1.499 4.770 1.00 0.46 H new ATOM 0 HG21 VAL A 83 -11.809 -0.280 2.927 1.00 0.46 H new ATOM 0 HG22 VAL A 83 -12.230 0.309 4.552 1.00 0.46 H new ATOM 0 HG23 VAL A 83 -10.542 -0.100 4.163 1.00 0.46 H new ATOM 1321 N LYS A 84 -12.410 -4.109 6.507 1.00 0.58 N ATOM 1322 CA LYS A 84 -12.298 -5.546 6.884 1.00 0.65 C ATOM 1323 C LYS A 84 -12.245 -6.418 5.622 1.00 0.53 C ATOM 1324 O LYS A 84 -12.974 -6.177 4.680 1.00 0.47 O ATOM 1325 CB LYS A 84 -13.568 -5.841 7.684 1.00 0.81 C ATOM 1326 CG LYS A 84 -13.214 -6.666 8.923 1.00 1.69 C ATOM 1327 CD LYS A 84 -14.454 -6.815 9.808 1.00 2.07 C ATOM 1328 CE LYS A 84 -14.791 -5.466 10.448 1.00 3.04 C ATOM 1329 NZ LYS A 84 -16.190 -5.612 10.940 1.00 3.54 N ATOM 0 H LYS A 84 -13.363 -3.758 6.409 1.00 0.58 H new ATOM 0 HA LYS A 84 -11.395 -5.757 7.457 1.00 0.65 H new ATOM 0 HB2 LYS A 84 -14.048 -4.908 7.981 1.00 0.81 H new ATOM 0 HB3 LYS A 84 -14.282 -6.384 7.065 1.00 0.81 H new ATOM 0 HG2 LYS A 84 -12.846 -7.648 8.626 1.00 1.69 H new ATOM 0 HG3 LYS A 84 -12.413 -6.180 9.480 1.00 1.69 H new ATOM 0 HD2 LYS A 84 -15.297 -7.168 9.214 1.00 2.07 H new ATOM 0 HD3 LYS A 84 -14.274 -7.561 10.582 1.00 2.07 H new ATOM 0 HE2 LYS A 84 -14.107 -5.235 11.265 1.00 3.04 H new ATOM 0 HE3 LYS A 84 -14.709 -4.655 9.725 1.00 3.04 H new ATOM 0 HZ1 LYS A 84 -16.493 -4.726 11.392 1.00 3.54 H new ATOM 0 HZ2 LYS A 84 -16.819 -5.825 10.140 1.00 3.54 H new ATOM 0 HZ3 LYS A 84 -16.236 -6.387 11.632 1.00 3.54 H new ATOM 1343 N PRO A 85 -11.387 -7.412 5.635 1.00 0.54 N ATOM 1344 CA PRO A 85 -11.258 -8.318 4.469 1.00 0.46 C ATOM 1345 C PRO A 85 -12.579 -9.051 4.221 1.00 0.47 C ATOM 1346 O PRO A 85 -13.217 -9.522 5.141 1.00 0.58 O ATOM 1347 CB PRO A 85 -10.162 -9.290 4.916 1.00 0.54 C ATOM 1348 CG PRO A 85 -9.703 -8.901 6.335 1.00 0.65 C ATOM 1349 CD PRO A 85 -10.512 -7.682 6.799 1.00 0.65 C ATOM 0 HA PRO A 85 -11.020 -7.807 3.536 1.00 0.46 H new ATOM 0 HB2 PRO A 85 -10.538 -10.313 4.908 1.00 0.54 H new ATOM 0 HB3 PRO A 85 -9.321 -9.255 4.224 1.00 0.54 H new ATOM 0 HG2 PRO A 85 -9.850 -9.735 7.021 1.00 0.65 H new ATOM 0 HG3 PRO A 85 -8.638 -8.670 6.337 1.00 0.65 H new ATOM 0 HD2 PRO A 85 -11.089 -7.897 7.698 1.00 0.65 H new ATOM 0 HD3 PRO A 85 -9.869 -6.832 7.028 1.00 0.65 H new ATOM 1357 N CYS A 86 -12.997 -9.152 2.988 1.00 0.41 N ATOM 1358 CA CYS A 86 -14.281 -9.856 2.704 1.00 0.49 C ATOM 1359 C CYS A 86 -14.353 -11.165 3.496 1.00 0.59 C ATOM 1360 O CYS A 86 -13.304 -11.680 3.844 1.00 1.26 O ATOM 1361 CB CYS A 86 -14.264 -10.141 1.202 1.00 0.50 C ATOM 1362 SG CYS A 86 -15.945 -9.986 0.543 1.00 0.60 S ATOM 1363 OXT CYS A 86 -15.455 -11.628 3.737 1.00 1.20 O ATOM 0 H CYS A 86 -12.510 -8.781 2.172 1.00 0.41 H new ATOM 0 HA CYS A 86 -15.146 -9.259 2.992 1.00 0.49 H new ATOM 0 HB2 CYS A 86 -13.597 -9.443 0.696 1.00 0.50 H new ATOM 0 HB3 CYS A 86 -13.879 -11.143 1.015 1.00 0.50 H new TER 1368 CYS A 86 CONECT 65 902 CONECT 665 1050 CONECT 792 1362 CONECT 902 65 CONECT 1050 665 CONECT 1362 792 END