USER MOD reduce.3.24.130724 H: found=0, std=0, add=362, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 362 hydrogens (0 hets) HEADER HIGH DENSITY LIPOPROTEINS 04-JUN-97 1GW3 TITLE THE HELIX-HINGE-HELIX STRUCTURAL MOTIF IN HUMAN TITLE 2 APOLIPOPROTEIN A-I DETERMINED BY NMR SPECTROSCOPY, 1 TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOA-I; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 142 - 187; COMPND 5 SYNONYM: APOLIPOPROTEIN A-I; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS HIGH DENSITY LIPOPROTEINS, KEY IN VIVO COFACTOR FOR THE KEYWDS 2 ENZYME LECITHIN-CHOLESTEROL TRANSFERASE, CHOLESTEROL EFFLUX, KEYWDS 3 RECEPTOR BINDING, AMPHIPATHIC HELICES, HELIX-HINGE-HELIX KEYWDS 4 MOTIF EXPDTA SOLUTION NMR AUTHOR G.WANG,J.T.SPARROW,R.J.CUSHLEY REVDAT 2 24-FEB-09 1GW3 1 VERSN REVDAT 1 23-JUL-97 1GW3 0 JRNL AUTH G.WANG,J.T.SPARROW,R.J.CUSHLEY JRNL TITL THE HELIX-HINGE-HELIX STRUCTURAL MOTIF IN HUMAN JRNL TITL 2 APOLIPOPROTEIN A-I DETERMINED BY NMR SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 36 13657 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9354635 JRNL DOI 10.1021/BI971151Q REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DGII REMARK 3 AUTHORS : HAVEL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GW3 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) : 310 REMARK 210 PH : 4.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX 600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DGII REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 CALCULATIONS USING NOE-DERIVED REMARK 210 DISTANCES REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWER OPTIMIZATION ERROR AND REMARK 210 NO DISTANCE VIOLATION GREATER REMARK 210 THAN 0.5 A) 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: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 5 CD GLU A 5 OE2 0.110 REMARK 500 GLU A 6 CD GLU A 6 OE2 0.110 REMARK 500 GLU A 28 CD GLU A 28 OE1 0.110 REMARK 500 GLU A 38 CD GLU A 38 OE2 0.110 REMARK 500 GLU A 42 CD GLU A 42 OE2 0.110 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ASP A 9 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ASP A 16 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 19 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ASP A 27 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 30 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 32 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 36 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PRO A 2 166.21 -48.13 REMARK 500 GLU A 5 70.89 -178.22 REMARK 500 GLU A 6 -42.21 -156.10 REMARK 500 ARG A 12 36.56 -95.43 REMARK 500 ALA A 13 -41.82 -133.55 REMARK 500 LEU A 22 51.92 -143.38 REMARK 500 SER A 26 -49.35 -144.75 REMARK 500 LEU A 37 37.37 -94.33 REMARK 500 ALA A 39 -53.38 -162.15 REMARK 500 GLU A 42 80.57 64.12 REMARK 500 REMARK 500 REMARK: NULL DBREF 1GW3 A 1 46 UNP P02647 APOA1_HUMAN 166 211 SEQRES 1 A 46 SER PRO LEU GLY GLU GLU MET ARG ASP ARG ALA ARG ALA SEQRES 2 A 46 HIS VAL ASP ALA LEU ARG THR HIS LEU ALA PRO TYR SER SEQRES 3 A 46 ASP GLU LEU ARG GLN ARG LEU ALA ALA ARG LEU GLU ALA SEQRES 4 A 46 LEU LYS GLU ASN GLY GLY ALA HELIX 1 1 HIS A 14 HIS A 21 1 8 HELIX 2 2 ASP A 27 GLU A 38 1 12 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -127:sc= 0.123 (180deg=-0.488) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0978 USER MOD Single : A 7 MET CE :methyl 146:sc= -0.263 (180deg=-1.8!) USER MOD Single : A 14 HIS : no HE2:sc= -5.27! C(o=-5.3!,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0951 USER MOD Single : A 31 GLN : amide:sc= -0.0501 K(o=-0.05,f=-1.1) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.338) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.068 -6.703 -8.148 1.00 0.00 N ATOM 2 CA SER A 1 29.505 -5.508 -7.432 1.00 0.00 C ATOM 3 C SER A 1 28.483 -5.090 -6.401 1.00 0.00 C ATOM 4 O SER A 1 27.655 -4.203 -6.624 1.00 0.00 O ATOM 5 CB SER A 1 29.820 -4.357 -8.420 1.00 0.00 C ATOM 6 OG SER A 1 28.991 -4.383 -9.587 1.00 0.00 O ATOM 0 H1 SER A 1 29.814 -7.426 -8.104 1.00 0.00 H new ATOM 0 H2 SER A 1 28.201 -7.073 -7.709 1.00 0.00 H new ATOM 0 H3 SER A 1 28.877 -6.462 -9.142 1.00 0.00 H new ATOM 0 HA SER A 1 30.426 -5.748 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.692 -3.402 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 1 30.866 -4.420 -8.722 1.00 0.00 H new ATOM 0 HG SER A 1 29.230 -3.636 -10.175 1.00 0.00 H new ATOM 14 N PRO A 2 28.522 -5.737 -5.251 1.00 0.00 N ATOM 15 CA PRO A 2 27.584 -5.531 -4.064 1.00 0.00 C ATOM 16 C PRO A 2 27.378 -4.088 -3.659 1.00 0.00 C ATOM 17 O PRO A 2 28.099 -3.182 -4.092 1.00 0.00 O ATOM 18 CB PRO A 2 28.215 -6.272 -2.892 1.00 0.00 C ATOM 19 CG PRO A 2 28.890 -7.449 -3.616 1.00 0.00 C ATOM 20 CD PRO A 2 29.484 -6.801 -4.873 1.00 0.00 C ATOM 0 HA PRO A 2 26.599 -5.898 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 2 28.933 -5.654 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 2 27.472 -6.605 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 2 29.661 -7.911 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 2 28.173 -8.230 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 2 30.472 -6.386 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 2 29.600 -7.530 -5.675 1.00 0.00 H new ATOM 28 N LEU A 3 26.373 -3.852 -2.837 1.00 0.00 N ATOM 29 CA LEU A 3 26.071 -2.512 -2.341 1.00 0.00 C ATOM 30 C LEU A 3 26.311 -2.418 -0.853 1.00 0.00 C ATOM 31 O LEU A 3 26.860 -3.330 -0.223 1.00 0.00 O ATOM 32 CB LEU A 3 24.607 -2.120 -2.695 1.00 0.00 C ATOM 33 CG LEU A 3 24.213 -2.052 -4.196 1.00 0.00 C ATOM 34 CD1 LEU A 3 22.953 -1.194 -4.371 1.00 0.00 C ATOM 35 CD2 LEU A 3 25.343 -1.502 -5.085 1.00 0.00 C ATOM 0 H LEU A 3 25.743 -4.576 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 3 26.743 -1.807 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 3 23.943 -2.834 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 3 24.406 -1.144 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 3 24.018 -3.075 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 3 22.685 -1.152 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 3 22.132 -1.634 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 3 23.146 -0.185 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 3 25.010 -1.478 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 3 25.601 -0.493 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 3 26.219 -2.145 -5.000 1.00 0.00 H new ATOM 47 N GLY A 4 25.916 -1.304 -0.264 1.00 0.00 N ATOM 48 CA GLY A 4 25.972 -1.131 1.184 1.00 0.00 C ATOM 49 C GLY A 4 24.666 -0.591 1.716 1.00 0.00 C ATOM 50 O GLY A 4 23.820 -1.327 2.236 1.00 0.00 O ATOM 0 H GLY A 4 25.549 -0.496 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.195 -2.086 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.783 -0.450 1.441 1.00 0.00 H new ATOM 54 N GLU A 5 24.486 0.713 1.608 1.00 0.00 N ATOM 55 CA GLU A 5 23.314 1.379 2.169 1.00 0.00 C ATOM 56 C GLU A 5 23.331 2.861 1.869 1.00 0.00 C ATOM 57 O GLU A 5 23.509 3.708 2.752 1.00 0.00 O ATOM 58 CB GLU A 5 23.284 1.111 3.700 1.00 0.00 C ATOM 59 CG GLU A 5 24.382 1.795 4.580 1.00 0.00 C ATOM 60 CD GLU A 5 25.166 0.930 5.569 1.00 0.00 C ATOM 61 OE1 GLU A 5 24.729 -0.115 6.032 1.00 0.00 O ATOM 62 OE2 GLU A 5 26.393 1.431 5.883 1.00 0.00 O ATOM 0 H GLU A 5 25.138 1.339 1.135 1.00 0.00 H new ATOM 0 HA GLU A 5 22.409 0.979 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.310 1.424 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.354 0.034 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 5 25.100 2.265 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.904 2.595 5.145 1.00 0.00 H new ATOM 69 N GLU A 6 23.112 3.201 0.612 1.00 0.00 N ATOM 70 CA GLU A 6 23.027 4.596 0.189 1.00 0.00 C ATOM 71 C GLU A 6 22.227 4.729 -1.086 1.00 0.00 C ATOM 72 O GLU A 6 21.417 5.649 -1.253 1.00 0.00 O ATOM 73 CB GLU A 6 24.468 5.149 0.010 1.00 0.00 C ATOM 74 CG GLU A 6 24.688 6.235 -1.094 1.00 0.00 C ATOM 75 CD GLU A 6 26.122 6.567 -1.513 1.00 0.00 C ATOM 76 OE1 GLU A 6 26.848 7.313 -0.869 1.00 0.00 O ATOM 77 OE2 GLU A 6 26.512 5.955 -2.666 1.00 0.00 O ATOM 0 H GLU A 6 22.988 2.527 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 6 22.508 5.178 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 6 24.789 5.568 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 6 25.127 4.309 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 6 24.147 5.917 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 6 24.221 7.158 -0.750 1.00 0.00 H new ATOM 84 N MET A 7 22.457 3.825 -2.020 1.00 0.00 N ATOM 85 CA MET A 7 21.631 3.728 -3.220 1.00 0.00 C ATOM 86 C MET A 7 20.209 3.360 -2.867 1.00 0.00 C ATOM 87 O MET A 7 19.240 3.850 -3.459 1.00 0.00 O ATOM 88 CB MET A 7 22.244 2.692 -4.203 1.00 0.00 C ATOM 89 CG MET A 7 21.587 2.612 -5.598 1.00 0.00 C ATOM 90 SD MET A 7 20.186 1.483 -5.549 1.00 0.00 S ATOM 91 CE MET A 7 20.711 0.350 -6.842 1.00 0.00 C ATOM 0 H MET A 7 23.213 3.141 -1.974 1.00 0.00 H new ATOM 0 HA MET A 7 21.609 4.702 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 7 23.301 2.926 -4.334 1.00 0.00 H new ATOM 0 HB3 MET A 7 22.190 1.706 -3.741 1.00 0.00 H new ATOM 0 HG2 MET A 7 21.257 3.602 -5.912 1.00 0.00 H new ATOM 0 HG3 MET A 7 22.315 2.271 -6.334 1.00 0.00 H new ATOM 0 HE1 MET A 7 20.382 -0.660 -6.597 1.00 0.00 H new ATOM 0 HE2 MET A 7 20.272 0.654 -7.792 1.00 0.00 H new ATOM 0 HE3 MET A 7 21.798 0.368 -6.922 1.00 0.00 H new ATOM 101 N ARG A 8 20.062 2.461 -1.912 1.00 0.00 N ATOM 102 CA ARG A 8 18.765 1.872 -1.583 1.00 0.00 C ATOM 103 C ARG A 8 18.185 2.418 -0.298 1.00 0.00 C ATOM 104 O ARG A 8 17.008 2.170 0.019 1.00 0.00 O ATOM 105 CB ARG A 8 18.931 0.326 -1.507 1.00 0.00 C ATOM 106 CG ARG A 8 18.255 -0.455 -2.665 1.00 0.00 C ATOM 107 CD ARG A 8 16.810 -0.854 -2.341 1.00 0.00 C ATOM 108 NE ARG A 8 16.111 -1.159 -3.615 1.00 0.00 N ATOM 109 CZ ARG A 8 15.641 -2.347 -3.971 1.00 0.00 C ATOM 110 NH1 ARG A 8 15.735 -3.421 -3.244 1.00 0.00 N ATOM 111 NH2 ARG A 8 15.055 -2.436 -5.112 1.00 0.00 N ATOM 0 H ARG A 8 20.833 2.115 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 8 18.055 2.138 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.995 0.088 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.518 -0.024 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.266 0.158 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.836 -1.351 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.795 -1.723 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.303 -0.046 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 8 15.981 -0.390 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.195 -3.382 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.349 -4.302 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.966 -1.611 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.679 -3.332 -5.424 1.00 0.00 H new ATOM 125 N ASP A 9 18.973 3.129 0.485 1.00 0.00 N ATOM 126 CA ASP A 9 18.505 3.703 1.746 1.00 0.00 C ATOM 127 C ASP A 9 17.493 4.800 1.508 1.00 0.00 C ATOM 128 O ASP A 9 16.638 5.088 2.357 1.00 0.00 O ATOM 129 CB ASP A 9 19.705 4.204 2.592 1.00 0.00 C ATOM 130 CG ASP A 9 19.370 4.874 3.932 1.00 0.00 C ATOM 131 OD1 ASP A 9 19.279 3.981 4.963 1.00 0.00 O ATOM 132 OD2 ASP A 9 19.224 6.081 4.055 1.00 0.00 O ATOM 0 H ASP A 9 19.951 3.328 0.273 1.00 0.00 H new ATOM 0 HA ASP A 9 17.999 2.920 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.360 3.356 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.274 4.912 1.990 1.00 0.00 H new ATOM 137 N ARG A 10 17.587 5.456 0.366 1.00 0.00 N ATOM 138 CA ARG A 10 16.580 6.430 -0.047 1.00 0.00 C ATOM 139 C ARG A 10 15.212 5.792 -0.121 1.00 0.00 C ATOM 140 O ARG A 10 14.181 6.425 0.134 1.00 0.00 O ATOM 141 CB ARG A 10 16.998 7.039 -1.414 1.00 0.00 C ATOM 142 CG ARG A 10 18.217 7.997 -1.357 1.00 0.00 C ATOM 143 CD ARG A 10 18.061 9.205 -2.290 1.00 0.00 C ATOM 144 NE ARG A 10 18.339 8.762 -3.679 1.00 0.00 N ATOM 145 CZ ARG A 10 18.778 9.537 -4.662 1.00 0.00 C ATOM 146 NH1 ARG A 10 19.024 10.808 -4.540 1.00 0.00 N ATOM 147 NH2 ARG A 10 18.972 8.988 -5.809 1.00 0.00 N ATOM 0 H ARG A 10 18.352 5.335 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 10 16.519 7.228 0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.225 6.226 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.148 7.580 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 10 18.351 8.348 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 10 19.119 7.448 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.053 9.613 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.749 9.999 -2.000 1.00 0.00 H new ATOM 0 HE ARG A 10 18.179 7.778 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.881 11.271 -3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.360 11.342 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.789 7.993 -5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.309 9.548 -6.592 1.00 0.00 H new ATOM 161 N ALA A 11 15.185 4.512 -0.445 1.00 0.00 N ATOM 162 CA ALA A 11 13.959 3.720 -0.393 1.00 0.00 C ATOM 163 C ALA A 11 13.615 3.338 1.027 1.00 0.00 C ATOM 164 O ALA A 11 12.445 3.145 1.383 1.00 0.00 O ATOM 165 CB ALA A 11 14.157 2.497 -1.306 1.00 0.00 C ATOM 0 H ALA A 11 16.006 3.989 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 11 13.109 4.300 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.257 1.882 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.350 2.831 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.004 1.910 -0.950 1.00 0.00 H new ATOM 171 N ARG A 12 14.627 3.207 1.864 1.00 0.00 N ATOM 172 CA ARG A 12 14.433 2.926 3.285 1.00 0.00 C ATOM 173 C ARG A 12 14.450 4.196 4.102 1.00 0.00 C ATOM 174 O ARG A 12 14.951 4.233 5.235 1.00 0.00 O ATOM 175 CB ARG A 12 15.534 1.937 3.760 1.00 0.00 C ATOM 176 CG ARG A 12 15.700 0.669 2.881 1.00 0.00 C ATOM 177 CD ARG A 12 14.357 0.091 2.418 1.00 0.00 C ATOM 178 NE ARG A 12 14.605 -1.245 1.817 1.00 0.00 N ATOM 179 CZ ARG A 12 13.746 -1.925 1.070 1.00 0.00 C ATOM 180 NH1 ARG A 12 12.553 -1.510 0.762 1.00 0.00 N ATOM 181 NH2 ARG A 12 14.125 -3.070 0.623 1.00 0.00 N ATOM 0 H ARG A 12 15.605 3.291 1.586 1.00 0.00 H new ATOM 0 HA ARG A 12 13.454 2.470 3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 12 16.487 2.466 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.307 1.627 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 12 16.306 0.913 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.243 -0.090 3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.670 0.007 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.889 0.754 1.690 1.00 0.00 H new ATOM 0 HE ARG A 12 15.513 -1.675 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.224 -0.606 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.946 -2.089 0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.056 -3.422 0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.495 -3.626 0.045 1.00 0.00 H new ATOM 195 N ALA A 13 13.901 5.262 3.551 1.00 0.00 N ATOM 196 CA ALA A 13 13.794 6.535 4.260 1.00 0.00 C ATOM 197 C ALA A 13 12.410 7.125 4.116 1.00 0.00 C ATOM 198 O ALA A 13 11.825 7.649 5.073 1.00 0.00 O ATOM 199 CB ALA A 13 14.895 7.465 3.721 1.00 0.00 C ATOM 0 H ALA A 13 13.517 5.277 2.606 1.00 0.00 H new ATOM 0 HA ALA A 13 13.940 6.393 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.842 8.426 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 13 15.871 7.014 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.753 7.615 2.651 1.00 0.00 H new ATOM 205 N HIS A 14 11.859 7.046 2.919 1.00 0.00 N ATOM 206 CA HIS A 14 10.494 7.502 2.666 1.00 0.00 C ATOM 207 C HIS A 14 9.466 6.412 2.862 1.00 0.00 C ATOM 208 O HIS A 14 8.250 6.665 2.770 1.00 0.00 O ATOM 209 CB HIS A 14 10.474 7.986 1.203 1.00 0.00 C ATOM 210 CG HIS A 14 10.252 6.871 0.222 1.00 0.00 C ATOM 211 ND1 HIS A 14 9.528 6.960 -0.964 1.00 0.00 N ATOM 212 CD2 HIS A 14 10.765 5.596 0.411 1.00 0.00 C ATOM 213 CE1 HIS A 14 9.660 5.696 -1.409 1.00 0.00 C ATOM 214 NE2 HIS A 14 10.381 4.823 -0.654 1.00 0.00 N ATOM 0 H HIS A 14 12.334 6.669 2.099 1.00 0.00 H new ATOM 0 HA HIS A 14 10.231 8.289 3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.688 8.731 1.083 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.419 8.480 0.976 1.00 0.00 H new ATOM 0 HD1 HIS A 14 9.039 7.754 -1.377 1.00 0.00 H new ATOM 0 HD2 HIS A 14 11.362 5.270 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.207 5.384 -2.338 1.00 0.00 H new ATOM 223 N VAL A 15 9.893 5.193 3.128 1.00 0.00 N ATOM 224 CA VAL A 15 8.977 4.085 3.388 1.00 0.00 C ATOM 225 C VAL A 15 8.578 4.041 4.844 1.00 0.00 C ATOM 226 O VAL A 15 7.459 3.655 5.202 1.00 0.00 O ATOM 227 CB VAL A 15 9.647 2.723 2.947 1.00 0.00 C ATOM 228 CG1 VAL A 15 9.096 1.433 3.616 1.00 0.00 C ATOM 229 CG2 VAL A 15 9.581 2.455 1.424 1.00 0.00 C ATOM 0 H VAL A 15 10.879 4.937 3.171 1.00 0.00 H new ATOM 0 HA VAL A 15 8.070 4.238 2.803 1.00 0.00 H new ATOM 0 HB VAL A 15 10.667 2.899 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.634 0.566 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.232 1.496 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.035 1.330 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.061 1.502 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.539 2.419 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.096 3.254 0.891 1.00 0.00 H new ATOM 239 N ASP A 16 9.491 4.436 5.712 1.00 0.00 N ATOM 240 CA ASP A 16 9.230 4.468 7.149 1.00 0.00 C ATOM 241 C ASP A 16 8.236 5.553 7.494 1.00 0.00 C ATOM 242 O ASP A 16 7.444 5.435 8.436 1.00 0.00 O ATOM 243 CB ASP A 16 10.558 4.631 7.934 1.00 0.00 C ATOM 244 CG ASP A 16 11.139 3.363 8.577 1.00 0.00 C ATOM 245 OD1 ASP A 16 10.561 3.067 9.780 1.00 0.00 O ATOM 246 OD2 ASP A 16 12.023 2.698 8.058 1.00 0.00 O ATOM 0 H ASP A 16 10.428 4.742 5.450 1.00 0.00 H new ATOM 0 HA ASP A 16 8.783 3.519 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.306 5.042 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.400 5.370 8.720 1.00 0.00 H new ATOM 251 N ALA A 17 8.266 6.633 6.736 1.00 0.00 N ATOM 252 CA ALA A 17 7.290 7.708 6.882 1.00 0.00 C ATOM 253 C ALA A 17 5.982 7.347 6.217 1.00 0.00 C ATOM 254 O ALA A 17 4.900 7.784 6.628 1.00 0.00 O ATOM 255 CB ALA A 17 7.917 8.989 6.305 1.00 0.00 C ATOM 0 H ALA A 17 8.960 6.794 6.006 1.00 0.00 H new ATOM 0 HA ALA A 17 7.048 7.872 7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.211 9.814 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.828 9.227 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.157 8.835 5.253 1.00 0.00 H new ATOM 261 N LEU A 18 6.061 6.563 5.157 1.00 0.00 N ATOM 262 CA LEU A 18 4.873 6.012 4.511 1.00 0.00 C ATOM 263 C LEU A 18 3.976 5.329 5.517 1.00 0.00 C ATOM 264 O LEU A 18 2.754 5.518 5.532 1.00 0.00 O ATOM 265 CB LEU A 18 5.273 5.031 3.370 1.00 0.00 C ATOM 266 CG LEU A 18 4.324 4.908 2.148 1.00 0.00 C ATOM 267 CD1 LEU A 18 2.946 4.336 2.521 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.150 6.276 1.473 1.00 0.00 C ATOM 0 H LEU A 18 6.941 6.289 4.719 1.00 0.00 H new ATOM 0 HA LEU A 18 4.314 6.838 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.254 5.330 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.385 4.039 3.807 1.00 0.00 H new ATOM 0 HG LEU A 18 4.790 4.207 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.325 4.273 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.069 3.341 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.467 4.988 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.482 6.177 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.724 6.982 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.120 6.641 1.136 1.00 0.00 H new ATOM 280 N ARG A 19 4.564 4.498 6.357 1.00 0.00 N ATOM 281 CA ARG A 19 3.801 3.636 7.255 1.00 0.00 C ATOM 282 C ARG A 19 2.935 4.452 8.187 1.00 0.00 C ATOM 283 O ARG A 19 1.763 4.135 8.429 1.00 0.00 O ATOM 284 CB ARG A 19 4.788 2.733 8.045 1.00 0.00 C ATOM 285 CG ARG A 19 5.676 1.813 7.164 1.00 0.00 C ATOM 286 CD ARG A 19 5.615 0.343 7.600 1.00 0.00 C ATOM 287 NE ARG A 19 6.428 -0.459 6.651 1.00 0.00 N ATOM 288 CZ ARG A 19 7.108 -1.556 6.956 1.00 0.00 C ATOM 289 NH1 ARG A 19 7.151 -2.086 8.142 1.00 0.00 N ATOM 290 NH2 ARG A 19 7.764 -2.130 6.011 1.00 0.00 N ATOM 0 H ARG A 19 5.576 4.398 6.440 1.00 0.00 H new ATOM 0 HA ARG A 19 3.130 3.006 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.435 3.368 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.217 2.111 8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.358 1.894 6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.709 2.159 7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.997 0.232 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.583 -0.008 7.607 1.00 0.00 H new ATOM 0 HE ARG A 19 6.467 -0.139 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.639 -1.655 8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.696 -2.933 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.748 -1.739 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.300 -2.976 6.203 1.00 0.00 H new ATOM 304 N THR A 20 3.495 5.517 8.729 1.00 0.00 N ATOM 305 CA THR A 20 2.770 6.389 9.650 1.00 0.00 C ATOM 306 C THR A 20 1.646 7.107 8.941 1.00 0.00 C ATOM 307 O THR A 20 0.561 7.324 9.493 1.00 0.00 O ATOM 308 CB THR A 20 3.746 7.414 10.320 1.00 0.00 C ATOM 309 OG1 THR A 20 4.347 6.846 11.476 1.00 0.00 O ATOM 310 CG2 THR A 20 3.115 8.732 10.820 1.00 0.00 C ATOM 0 H THR A 20 4.457 5.805 8.549 1.00 0.00 H new ATOM 0 HA THR A 20 2.333 5.768 10.432 1.00 0.00 H new ATOM 0 HB THR A 20 4.440 7.643 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.955 7.498 11.882 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.888 9.360 11.264 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.658 9.257 9.982 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.354 8.510 11.568 1.00 0.00 H new ATOM 318 N HIS A 21 1.885 7.486 7.699 1.00 0.00 N ATOM 319 CA HIS A 21 0.943 8.312 6.949 1.00 0.00 C ATOM 320 C HIS A 21 -0.375 7.597 6.761 1.00 0.00 C ATOM 321 O HIS A 21 -1.450 8.210 6.746 1.00 0.00 O ATOM 322 CB HIS A 21 1.598 8.595 5.586 1.00 0.00 C ATOM 323 CG HIS A 21 1.910 10.050 5.394 1.00 0.00 C ATOM 324 ND1 HIS A 21 0.996 11.041 5.040 1.00 0.00 N ATOM 325 CD2 HIS A 21 3.186 10.571 5.558 1.00 0.00 C ATOM 326 CE1 HIS A 21 1.815 12.110 5.016 1.00 0.00 C ATOM 327 NE2 HIS A 21 3.129 11.918 5.310 1.00 0.00 N ATOM 0 H HIS A 21 2.728 7.236 7.181 1.00 0.00 H new ATOM 0 HA HIS A 21 0.728 9.236 7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.516 8.014 5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.933 8.260 4.790 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.069 10.013 5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.439 13.092 4.770 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.883 12.604 5.339 1.00 0.00 H new ATOM 336 N LEU A 22 -0.317 6.289 6.597 1.00 0.00 N ATOM 337 CA LEU A 22 -1.513 5.485 6.356 1.00 0.00 C ATOM 338 C LEU A 22 -1.412 4.145 7.047 1.00 0.00 C ATOM 339 O LEU A 22 -1.610 3.083 6.446 1.00 0.00 O ATOM 340 CB LEU A 22 -1.753 5.305 4.830 1.00 0.00 C ATOM 341 CG LEU A 22 -1.120 6.340 3.861 1.00 0.00 C ATOM 342 CD1 LEU A 22 -0.775 5.735 2.490 1.00 0.00 C ATOM 343 CD2 LEU A 22 -2.063 7.537 3.676 1.00 0.00 C ATOM 0 H LEU A 22 0.550 5.752 6.626 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.368 6.014 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.386 4.318 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.830 5.305 4.660 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.185 6.668 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.336 6.503 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.062 4.921 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.682 5.352 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.609 8.256 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.011 7.193 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.240 8.013 4.640 1.00 0.00 H new ATOM 355 N ALA A 23 -1.111 4.173 8.333 1.00 0.00 N ATOM 356 CA ALA A 23 -1.146 2.973 9.163 1.00 0.00 C ATOM 357 C ALA A 23 -2.568 2.526 9.406 1.00 0.00 C ATOM 358 O ALA A 23 -2.986 1.433 9.014 1.00 0.00 O ATOM 359 CB ALA A 23 -0.388 3.284 10.465 1.00 0.00 C ATOM 0 H ALA A 23 -0.837 5.019 8.832 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.659 2.138 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.396 2.405 11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.642 3.553 10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.872 4.115 10.979 1.00 0.00 H new ATOM 365 N PRO A 24 -3.338 3.377 10.066 1.00 0.00 N ATOM 366 CA PRO A 24 -4.819 3.178 10.394 1.00 0.00 C ATOM 367 C PRO A 24 -5.781 3.331 9.233 1.00 0.00 C ATOM 368 O PRO A 24 -6.940 2.895 9.310 1.00 0.00 O ATOM 369 CB PRO A 24 -5.170 4.224 11.442 1.00 0.00 C ATOM 370 CG PRO A 24 -4.198 5.366 11.117 1.00 0.00 C ATOM 371 CD PRO A 24 -2.922 4.687 10.617 1.00 0.00 C ATOM 0 HA PRO A 24 -4.934 2.145 10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.210 4.542 11.364 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.027 3.847 12.455 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.612 6.030 10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.999 5.975 11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.433 5.292 9.854 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.206 4.558 11.429 1.00 0.00 H new ATOM 379 N TYR A 25 -5.342 3.933 8.144 1.00 0.00 N ATOM 380 CA TYR A 25 -6.144 4.046 6.931 1.00 0.00 C ATOM 381 C TYR A 25 -5.929 2.852 6.028 1.00 0.00 C ATOM 382 O TYR A 25 -5.292 2.944 4.972 1.00 0.00 O ATOM 383 CB TYR A 25 -5.768 5.330 6.134 1.00 0.00 C ATOM 384 CG TYR A 25 -5.694 6.645 6.921 1.00 0.00 C ATOM 385 CD1 TYR A 25 -5.790 6.666 8.316 1.00 0.00 C ATOM 386 CD2 TYR A 25 -5.530 7.851 6.227 1.00 0.00 C ATOM 387 CE1 TYR A 25 -5.721 7.873 9.006 1.00 0.00 C ATOM 388 CE2 TYR A 25 -5.464 9.056 6.919 1.00 0.00 C ATOM 389 CZ TYR A 25 -5.557 9.067 8.308 1.00 0.00 C ATOM 390 OH TYR A 25 -5.488 10.249 8.988 1.00 0.00 O ATOM 0 H TYR A 25 -4.418 4.360 8.071 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.188 4.093 7.241 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.800 5.164 5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.496 5.456 5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.918 5.742 8.860 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.454 7.845 5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.795 7.884 10.083 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.341 9.983 6.379 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.372 10.986 8.352 1.00 0.00 H new ATOM 400 N SER A 26 -6.448 1.707 6.431 1.00 0.00 N ATOM 401 CA SER A 26 -6.324 0.478 5.650 1.00 0.00 C ATOM 402 C SER A 26 -7.568 -0.371 5.775 1.00 0.00 C ATOM 403 O SER A 26 -8.140 -0.838 4.783 1.00 0.00 O ATOM 404 CB SER A 26 -5.054 -0.310 6.058 1.00 0.00 C ATOM 405 OG SER A 26 -5.266 -1.159 7.192 1.00 0.00 O ATOM 0 H SER A 26 -6.966 1.597 7.303 1.00 0.00 H new ATOM 0 HA SER A 26 -6.219 0.752 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.721 -0.915 5.215 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.252 0.394 6.282 1.00 0.00 H new ATOM 0 HG SER A 26 -4.435 -1.633 7.405 1.00 0.00 H new ATOM 411 N ASP A 27 -8.008 -0.588 7.001 1.00 0.00 N ATOM 412 CA ASP A 27 -9.178 -1.418 7.271 1.00 0.00 C ATOM 413 C ASP A 27 -10.457 -0.664 6.988 1.00 0.00 C ATOM 414 O ASP A 27 -11.454 -1.228 6.520 1.00 0.00 O ATOM 415 CB ASP A 27 -9.134 -1.951 8.727 1.00 0.00 C ATOM 416 CG ASP A 27 -8.380 -3.270 8.957 1.00 0.00 C ATOM 417 OD1 ASP A 27 -7.041 -3.165 8.706 1.00 0.00 O ATOM 418 OD2 ASP A 27 -8.931 -4.298 9.321 1.00 0.00 O ATOM 0 H ASP A 27 -7.571 -0.199 7.836 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.159 -2.276 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.680 -1.185 9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.159 -2.081 9.073 1.00 0.00 H new ATOM 423 N GLU A 28 -10.458 0.621 7.287 1.00 0.00 N ATOM 424 CA GLU A 28 -11.652 1.450 7.146 1.00 0.00 C ATOM 425 C GLU A 28 -12.108 1.498 5.707 1.00 0.00 C ATOM 426 O GLU A 28 -13.252 1.164 5.375 1.00 0.00 O ATOM 427 CB GLU A 28 -11.335 2.874 7.689 1.00 0.00 C ATOM 428 CG GLU A 28 -12.537 3.744 8.183 1.00 0.00 C ATOM 429 CD GLU A 28 -12.732 5.131 7.565 1.00 0.00 C ATOM 430 OE1 GLU A 28 -12.872 5.113 6.210 1.00 0.00 O ATOM 431 OE2 GLU A 28 -12.760 6.159 8.229 1.00 0.00 O ATOM 0 H GLU A 28 -9.640 1.122 7.633 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.470 1.019 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.633 2.770 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.821 3.427 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.451 3.174 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.434 3.872 9.261 1.00 0.00 H new ATOM 438 N LEU A 29 -11.225 1.933 4.827 1.00 0.00 N ATOM 439 CA LEU A 29 -11.571 2.153 3.426 1.00 0.00 C ATOM 440 C LEU A 29 -11.913 0.850 2.742 1.00 0.00 C ATOM 441 O LEU A 29 -12.802 0.778 1.885 1.00 0.00 O ATOM 442 CB LEU A 29 -10.413 2.881 2.685 1.00 0.00 C ATOM 443 CG LEU A 29 -10.008 4.297 3.175 1.00 0.00 C ATOM 444 CD1 LEU A 29 -8.510 4.587 2.984 1.00 0.00 C ATOM 445 CD2 LEU A 29 -10.837 5.365 2.447 1.00 0.00 C ATOM 0 H LEU A 29 -10.254 2.144 5.056 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.454 2.791 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.530 2.244 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.687 2.958 1.633 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.211 4.330 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.285 5.591 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.924 3.860 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.258 4.516 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.545 6.355 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.660 5.294 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.896 5.206 2.651 1.00 0.00 H new ATOM 457 N ARG A 30 -11.204 -0.203 3.104 1.00 0.00 N ATOM 458 CA ARG A 30 -11.352 -1.500 2.450 1.00 0.00 C ATOM 459 C ARG A 30 -12.756 -2.035 2.612 1.00 0.00 C ATOM 460 O ARG A 30 -13.289 -2.732 1.738 1.00 0.00 O ATOM 461 CB ARG A 30 -10.302 -2.482 3.039 1.00 0.00 C ATOM 462 CG ARG A 30 -8.950 -2.535 2.279 1.00 0.00 C ATOM 463 CD ARG A 30 -8.778 -1.372 1.294 1.00 0.00 C ATOM 464 NE ARG A 30 -7.513 -0.666 1.619 1.00 0.00 N ATOM 465 CZ ARG A 30 -6.542 -0.389 0.758 1.00 0.00 C ATOM 466 NH1 ARG A 30 -6.566 -0.708 -0.502 1.00 0.00 N ATOM 467 NH2 ARG A 30 -5.512 0.237 1.207 1.00 0.00 N ATOM 0 H ARG A 30 -10.513 -0.189 3.854 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.178 -1.388 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.108 -2.203 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.732 -3.483 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.132 -2.519 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.879 -3.478 1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.753 -1.743 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.623 -0.687 1.364 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.379 -0.369 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.369 -1.205 -0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.781 -0.462 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.464 0.501 2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.743 0.470 0.579 1.00 0.00 H new ATOM 481 N GLN A 31 -13.371 -1.748 3.744 1.00 0.00 N ATOM 482 CA GLN A 31 -14.673 -2.318 4.083 1.00 0.00 C ATOM 483 C GLN A 31 -15.743 -1.829 3.134 1.00 0.00 C ATOM 484 O GLN A 31 -16.726 -2.524 2.850 1.00 0.00 O ATOM 485 CB GLN A 31 -15.011 -1.943 5.543 1.00 0.00 C ATOM 486 CG GLN A 31 -15.823 -0.625 5.764 1.00 0.00 C ATOM 487 CD GLN A 31 -17.193 -0.697 6.450 1.00 0.00 C ATOM 488 OE1 GLN A 31 -17.552 -1.704 7.038 1.00 0.00 O ATOM 489 NE2 GLN A 31 -17.988 0.343 6.432 1.00 0.00 N ATOM 0 H GLN A 31 -12.991 -1.120 4.452 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.633 -3.403 3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.574 -2.766 5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.076 -1.863 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.199 0.051 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.968 -0.162 4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.704 1.193 5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.891 0.303 6.905 1.00 0.00 H new ATOM 498 N ARG A 32 -15.559 -0.632 2.609 1.00 0.00 N ATOM 499 CA ARG A 32 -16.460 -0.085 1.599 1.00 0.00 C ATOM 500 C ARG A 32 -16.252 -0.759 0.263 1.00 0.00 C ATOM 501 O ARG A 32 -17.199 -0.991 -0.501 1.00 0.00 O ATOM 502 CB ARG A 32 -16.235 1.449 1.501 1.00 0.00 C ATOM 503 CG ARG A 32 -15.137 1.888 0.497 1.00 0.00 C ATOM 504 CD ARG A 32 -15.411 3.272 -0.107 1.00 0.00 C ATOM 505 NE ARG A 32 -16.037 4.123 0.937 1.00 0.00 N ATOM 506 CZ ARG A 32 -15.390 4.743 1.914 1.00 0.00 C ATOM 507 NH1 ARG A 32 -14.104 4.685 2.095 1.00 0.00 N ATOM 508 NH2 ARG A 32 -16.087 5.448 2.734 1.00 0.00 N ATOM 0 H ARG A 32 -14.790 -0.013 2.864 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.492 -0.276 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.175 1.922 1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.974 1.827 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.171 1.901 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.068 1.153 -0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.483 3.723 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.070 3.185 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.050 4.240 0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.524 4.135 1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.675 5.190 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.098 5.514 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.628 5.941 3.500 1.00 0.00 H new ATOM 522 N LEU A 33 -15.008 -1.059 -0.059 1.00 0.00 N ATOM 523 CA LEU A 33 -14.669 -1.689 -1.333 1.00 0.00 C ATOM 524 C LEU A 33 -14.611 -3.198 -1.242 1.00 0.00 C ATOM 525 O LEU A 33 -14.230 -3.877 -2.212 1.00 0.00 O ATOM 526 CB LEU A 33 -13.315 -1.127 -1.863 1.00 0.00 C ATOM 527 CG LEU A 33 -13.307 0.302 -2.470 1.00 0.00 C ATOM 528 CD1 LEU A 33 -11.965 1.025 -2.272 1.00 0.00 C ATOM 529 CD2 LEU A 33 -13.646 0.241 -3.966 1.00 0.00 C ATOM 0 H LEU A 33 -14.206 -0.877 0.545 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.468 -1.446 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.601 -1.144 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.942 -1.815 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.065 0.876 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.018 2.019 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.754 1.115 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.170 0.455 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.638 1.248 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.906 -0.371 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.635 -0.198 -4.097 1.00 0.00 H new ATOM 541 N ALA A 34 -15.004 -3.765 -0.119 1.00 0.00 N ATOM 542 CA ALA A 34 -14.918 -5.208 0.097 1.00 0.00 C ATOM 543 C ALA A 34 -16.186 -5.908 -0.335 1.00 0.00 C ATOM 544 O ALA A 34 -16.173 -7.085 -0.727 1.00 0.00 O ATOM 545 CB ALA A 34 -14.591 -5.437 1.583 1.00 0.00 C ATOM 0 H ALA A 34 -15.391 -3.248 0.670 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.128 -5.641 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.519 -6.507 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.641 -4.960 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.380 -5.007 2.200 1.00 0.00 H new ATOM 551 N ALA A 35 -17.308 -5.221 -0.244 1.00 0.00 N ATOM 552 CA ALA A 35 -18.613 -5.827 -0.500 1.00 0.00 C ATOM 553 C ALA A 35 -19.152 -5.422 -1.852 1.00 0.00 C ATOM 554 O ALA A 35 -19.935 -6.147 -2.481 1.00 0.00 O ATOM 555 CB ALA A 35 -19.545 -5.425 0.656 1.00 0.00 C ATOM 0 H ALA A 35 -17.348 -4.233 0.007 1.00 0.00 H new ATOM 0 HA ALA A 35 -18.533 -6.913 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -20.531 -5.861 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -19.135 -5.789 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -19.631 -4.339 0.693 1.00 0.00 H new ATOM 561 N ARG A 36 -18.774 -4.245 -2.313 1.00 0.00 N ATOM 562 CA ARG A 36 -19.187 -3.757 -3.627 1.00 0.00 C ATOM 563 C ARG A 36 -18.616 -4.613 -4.733 1.00 0.00 C ATOM 564 O ARG A 36 -19.251 -4.847 -5.769 1.00 0.00 O ATOM 565 CB ARG A 36 -18.742 -2.275 -3.776 1.00 0.00 C ATOM 566 CG ARG A 36 -19.728 -1.232 -3.186 1.00 0.00 C ATOM 567 CD ARG A 36 -20.256 -1.636 -1.804 1.00 0.00 C ATOM 568 NE ARG A 36 -20.433 -0.406 -0.991 1.00 0.00 N ATOM 569 CZ ARG A 36 -21.565 0.270 -0.851 1.00 0.00 C ATOM 570 NH1 ARG A 36 -22.688 -0.054 -1.420 1.00 0.00 N ATOM 571 NH2 ARG A 36 -21.544 1.314 -0.100 1.00 0.00 N ATOM 0 H ARG A 36 -18.176 -3.600 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 36 -20.272 -3.817 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.773 -2.152 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -18.599 -2.059 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.228 -0.266 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -20.568 -1.105 -3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -21.203 -2.166 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.558 -2.316 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 36 -19.614 -0.051 -0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -22.737 -0.877 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -23.521 0.515 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -20.678 1.593 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.393 1.863 0.035 1.00 0.00 H new ATOM 585 N LEU A 37 -17.407 -5.104 -4.531 1.00 0.00 N ATOM 586 CA LEU A 37 -16.662 -5.794 -5.580 1.00 0.00 C ATOM 587 C LEU A 37 -16.859 -7.290 -5.511 1.00 0.00 C ATOM 588 O LEU A 37 -15.943 -8.078 -5.782 1.00 0.00 O ATOM 589 CB LEU A 37 -15.149 -5.435 -5.496 1.00 0.00 C ATOM 590 CG LEU A 37 -14.498 -4.710 -6.704 1.00 0.00 C ATOM 591 CD1 LEU A 37 -13.896 -3.346 -6.325 1.00 0.00 C ATOM 592 CD2 LEU A 37 -13.411 -5.597 -7.328 1.00 0.00 C ATOM 0 H LEU A 37 -16.912 -5.039 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.051 -5.457 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.004 -4.810 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.597 -6.359 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.293 -4.525 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.455 -2.885 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.680 -2.699 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.126 -3.486 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.961 -5.079 -8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.644 -5.811 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.856 -6.532 -7.669 1.00 0.00 H new ATOM 604 N GLU A 38 -18.064 -7.714 -5.179 1.00 0.00 N ATOM 605 CA GLU A 38 -18.438 -9.124 -5.254 1.00 0.00 C ATOM 606 C GLU A 38 -19.824 -9.284 -5.834 1.00 0.00 C ATOM 607 O GLU A 38 -20.608 -10.146 -5.422 1.00 0.00 O ATOM 608 CB GLU A 38 -18.349 -9.735 -3.827 1.00 0.00 C ATOM 609 CG GLU A 38 -16.987 -10.380 -3.407 1.00 0.00 C ATOM 610 CD GLU A 38 -16.854 -11.903 -3.468 1.00 0.00 C ATOM 611 OE1 GLU A 38 -16.673 -12.515 -4.512 1.00 0.00 O ATOM 612 OE2 GLU A 38 -16.956 -12.511 -2.253 1.00 0.00 O ATOM 0 H GLU A 38 -18.810 -7.100 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 38 -17.753 -9.653 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -18.587 -8.950 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -19.125 -10.495 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.208 -9.953 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.773 -10.069 -2.384 1.00 0.00 H new ATOM 619 N ALA A 39 -20.159 -8.430 -6.783 1.00 0.00 N ATOM 620 CA ALA A 39 -21.506 -8.383 -7.345 1.00 0.00 C ATOM 621 C ALA A 39 -21.514 -7.655 -8.670 1.00 0.00 C ATOM 622 O ALA A 39 -21.991 -8.165 -9.690 1.00 0.00 O ATOM 623 CB ALA A 39 -22.426 -7.728 -6.300 1.00 0.00 C ATOM 0 H ALA A 39 -19.514 -7.751 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 39 -21.872 -9.387 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -23.442 -7.678 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -22.418 -8.321 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -22.071 -6.721 -6.083 1.00 0.00 H new ATOM 629 N LEU A 40 -20.981 -6.448 -8.676 1.00 0.00 N ATOM 630 CA LEU A 40 -21.061 -5.571 -9.840 1.00 0.00 C ATOM 631 C LEU A 40 -20.330 -6.168 -11.020 1.00 0.00 C ATOM 632 O LEU A 40 -20.922 -6.518 -12.048 1.00 0.00 O ATOM 633 CB LEU A 40 -20.504 -4.159 -9.500 1.00 0.00 C ATOM 634 CG LEU A 40 -20.404 -3.116 -10.645 1.00 0.00 C ATOM 635 CD1 LEU A 40 -21.676 -2.264 -10.786 1.00 0.00 C ATOM 636 CD2 LEU A 40 -19.191 -2.201 -10.423 1.00 0.00 C ATOM 0 H LEU A 40 -20.483 -6.045 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 40 -22.111 -5.468 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.130 -3.734 -8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.507 -4.287 -9.078 1.00 0.00 H new ATOM 0 HG LEU A 40 -20.285 -3.677 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.549 -1.552 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.526 -2.912 -10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.856 -1.723 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -19.131 -1.473 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -19.299 -1.678 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.281 -2.801 -10.406 1.00 0.00 H new ATOM 648 N LYS A 41 -19.025 -6.310 -10.884 1.00 0.00 N ATOM 649 CA LYS A 41 -18.165 -6.708 -11.995 1.00 0.00 C ATOM 650 C LYS A 41 -18.000 -8.209 -12.054 1.00 0.00 C ATOM 651 O LYS A 41 -17.660 -8.781 -13.100 1.00 0.00 O ATOM 652 CB LYS A 41 -16.785 -6.006 -11.855 1.00 0.00 C ATOM 653 CG LYS A 41 -15.833 -6.710 -10.858 1.00 0.00 C ATOM 654 CD LYS A 41 -14.985 -5.766 -10.001 1.00 0.00 C ATOM 655 CE LYS A 41 -13.927 -5.093 -10.885 1.00 0.00 C ATOM 656 NZ LYS A 41 -12.672 -5.862 -10.819 1.00 0.00 N ATOM 0 H LYS A 41 -18.528 -6.155 -10.007 1.00 0.00 H new ATOM 0 HA LYS A 41 -18.634 -6.398 -12.929 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.307 -5.964 -12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.941 -4.977 -11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.426 -7.343 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.167 -7.367 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.619 -5.012 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.503 -6.321 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.279 -5.039 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.757 -4.069 -10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.206 -5.847 -11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.042 -5.437 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.881 -6.845 -10.552 1.00 0.00 H new ATOM 670 N GLU A 42 -18.200 -8.875 -10.932 1.00 0.00 N ATOM 671 CA GLU A 42 -18.249 -10.334 -10.899 1.00 0.00 C ATOM 672 C GLU A 42 -16.916 -10.926 -11.294 1.00 0.00 C ATOM 673 O GLU A 42 -16.694 -11.327 -12.443 1.00 0.00 O ATOM 674 CB GLU A 42 -19.384 -10.815 -11.847 1.00 0.00 C ATOM 675 CG GLU A 42 -20.836 -10.320 -11.536 1.00 0.00 C ATOM 676 CD GLU A 42 -21.544 -10.877 -10.299 1.00 0.00 C ATOM 677 OE1 GLU A 42 -20.942 -11.345 -9.341 1.00 0.00 O ATOM 678 OE2 GLU A 42 -22.902 -10.805 -10.365 1.00 0.00 O ATOM 0 H GLU A 42 -18.332 -8.430 -10.024 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.460 -10.672 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.131 -10.504 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -19.390 -11.905 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.804 -9.235 -11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.457 -10.545 -12.403 1.00 0.00 H new ATOM 685 N ASN A 43 -15.993 -10.961 -10.350 1.00 0.00 N ATOM 686 CA ASN A 43 -14.697 -11.600 -10.557 1.00 0.00 C ATOM 687 C ASN A 43 -14.867 -13.007 -11.081 1.00 0.00 C ATOM 688 O ASN A 43 -14.205 -13.431 -12.036 1.00 0.00 O ATOM 689 CB ASN A 43 -13.898 -11.604 -9.221 1.00 0.00 C ATOM 690 CG ASN A 43 -12.390 -11.861 -9.314 1.00 0.00 C ATOM 691 OD1 ASN A 43 -11.720 -11.484 -10.264 1.00 0.00 O ATOM 692 ND2 ASN A 43 -11.802 -12.507 -8.344 1.00 0.00 N ATOM 0 H ASN A 43 -16.115 -10.552 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.140 -11.033 -11.303 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.048 -10.641 -8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.332 -12.362 -8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.799 -12.689 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.345 -12.829 -7.543 1.00 0.00 H new ATOM 699 N GLY A 44 -15.737 -13.767 -10.442 1.00 0.00 N ATOM 700 CA GLY A 44 -16.006 -15.144 -10.848 1.00 0.00 C ATOM 701 C GLY A 44 -17.287 -15.232 -11.645 1.00 0.00 C ATOM 702 O GLY A 44 -17.413 -14.667 -12.738 1.00 0.00 O ATOM 0 H GLY A 44 -16.275 -13.456 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.175 -15.520 -11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -16.078 -15.780 -9.966 1.00 0.00 H new ATOM 706 N GLY A 45 -18.248 -15.971 -11.124 1.00 0.00 N ATOM 707 CA GLY A 45 -19.551 -16.111 -11.768 1.00 0.00 C ATOM 708 C GLY A 45 -19.627 -17.394 -12.563 1.00 0.00 C ATOM 709 O GLY A 45 -18.788 -18.292 -12.432 1.00 0.00 O ATOM 0 H GLY A 45 -18.155 -16.489 -10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -20.337 -16.100 -11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.729 -15.260 -12.426 1.00 0.00 H new ATOM 713 N ALA A 46 -20.631 -17.494 -13.414 1.00 0.00 N ATOM 714 CA ALA A 46 -20.900 -18.725 -14.152 1.00 0.00 C ATOM 715 C ALA A 46 -20.404 -18.623 -15.574 1.00 0.00 C ATOM 716 O ALA A 46 -21.093 -18.077 -16.490 1.00 0.00 O ATOM 717 CB ALA A 46 -22.412 -18.998 -14.066 1.00 0.00 C ATOM 718 OXT ALA A 46 -19.257 -19.121 -15.801 1.00 0.00 O ATOM 0 H ALA A 46 -21.281 -16.734 -13.616 1.00 0.00 H new ATOM 0 HA ALA A 46 -20.361 -19.566 -13.715 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -22.648 -19.913 -14.609 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -22.703 -19.110 -13.021 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -22.958 -18.164 -14.507 1.00 0.00 H new TER 724 ALA A 46 END