USER MOD reduce.3.24.130724 H: found=0, std=0, add=362, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 360 hydrogens (0 hets) HEADER HIGH DENSITY LIPOPROTEINS 04-JUN-97 1GW4 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 1GW4 1 VERSN REVDAT 1 23-JUL-97 1GW4 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 1GW4 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) : 323 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 OE1 0.110 REMARK 500 GLU A 6 CD GLU A 6 OE2 0.109 REMARK 500 GLU A 28 CD GLU A 28 OE1 0.109 REMARK 500 GLU A 38 CD GLU A 38 OE2 0.110 REMARK 500 GLU A 42 CD GLU A 42 OE1 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. = 4.1 DEGREES REMARK 500 ASP A 9 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ASP A 16 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ARG A 19 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ASP A 27 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 30 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 32 NE - CZ - NH1 ANGL. DEV. = 4.0 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 LEU A 3 95.59 -174.52 REMARK 500 LEU A 22 31.74 -95.91 REMARK 500 GLU A 28 -44.34 -142.29 REMARK 500 ARG A 30 -39.06 -172.60 REMARK 500 LYS A 41 -87.80 -101.37 REMARK 500 GLU A 42 -155.67 -171.07 REMARK 500 ASN A 43 89.90 63.35 REMARK 500 REMARK 500 REMARK: NULL DBREF 1GW4 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 MET A 7 ARG A 10 1 4 HELIX 2 2 ARG A 12 HIS A 21 1 10 HELIX 3 3 ALA A 23 TYR A 25 5 3 HELIX 4 4 LEU A 33 LEU A 40 1 8 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+ 136:sc= -3.21! (180deg=-6.18!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.489 K(o=-0.49,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.075) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.096 -17.408 7.673 1.00 0.00 N ATOM 2 CA SER A 1 -6.594 -16.930 6.386 1.00 0.00 C ATOM 3 C SER A 1 -6.262 -17.885 5.264 1.00 0.00 C ATOM 4 O SER A 1 -5.775 -17.479 4.197 1.00 0.00 O ATOM 5 CB SER A 1 -6.060 -15.503 6.098 1.00 0.00 C ATOM 6 OG SER A 1 -6.713 -14.496 6.878 1.00 0.00 O ATOM 0 H1 SER A 1 -5.654 -16.620 8.188 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.887 -17.787 8.232 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.392 -18.157 7.516 1.00 0.00 H new ATOM 0 HA SER A 1 -7.681 -16.883 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.989 -15.474 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.192 -15.278 5.040 1.00 0.00 H new ATOM 0 HG SER A 1 -6.338 -13.618 6.659 1.00 0.00 H new ATOM 14 N PRO A 2 -6.527 -19.162 5.472 1.00 0.00 N ATOM 15 CA PRO A 2 -6.423 -20.272 4.420 1.00 0.00 C ATOM 16 C PRO A 2 -7.328 -20.036 3.226 1.00 0.00 C ATOM 17 O PRO A 2 -6.965 -20.204 2.057 1.00 0.00 O ATOM 18 CB PRO A 2 -6.819 -21.572 5.101 1.00 0.00 C ATOM 19 CG PRO A 2 -7.644 -21.108 6.310 1.00 0.00 C ATOM 20 CD PRO A 2 -7.001 -19.783 6.728 1.00 0.00 C ATOM 0 HA PRO A 2 -5.403 -20.299 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.403 -22.210 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.945 -22.146 5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.693 -20.974 6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.609 -21.838 7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.720 -19.141 7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.176 -19.948 7.420 1.00 0.00 H new ATOM 28 N LEU A 3 -8.539 -19.597 3.518 1.00 0.00 N ATOM 29 CA LEU A 3 -9.466 -19.060 2.530 1.00 0.00 C ATOM 30 C LEU A 3 -10.722 -18.517 3.195 1.00 0.00 C ATOM 31 O LEU A 3 -11.685 -19.245 3.460 1.00 0.00 O ATOM 32 CB LEU A 3 -9.841 -20.120 1.458 1.00 0.00 C ATOM 33 CG LEU A 3 -9.025 -20.168 0.139 1.00 0.00 C ATOM 34 CD1 LEU A 3 -9.920 -20.634 -1.018 1.00 0.00 C ATOM 35 CD2 LEU A 3 -8.385 -18.815 -0.214 1.00 0.00 C ATOM 0 H LEU A 3 -8.916 -19.603 4.466 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.956 -18.239 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.771 -21.102 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.887 -19.967 1.194 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.214 -20.879 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.338 -20.664 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.307 -21.630 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.752 -19.940 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.827 -18.908 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.165 -18.063 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.708 -18.513 0.585 1.00 0.00 H new ATOM 47 N GLY A 4 -10.725 -17.221 3.439 1.00 0.00 N ATOM 48 CA GLY A 4 -11.912 -16.528 3.931 1.00 0.00 C ATOM 49 C GLY A 4 -12.112 -15.217 3.208 1.00 0.00 C ATOM 50 O GLY A 4 -11.562 -14.175 3.584 1.00 0.00 O ATOM 0 H GLY A 4 -9.914 -16.617 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.789 -17.160 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.814 -16.346 5.001 1.00 0.00 H new ATOM 54 N GLU A 5 -12.924 -15.242 2.168 1.00 0.00 N ATOM 55 CA GLU A 5 -13.188 -14.051 1.364 1.00 0.00 C ATOM 56 C GLU A 5 -14.606 -13.566 1.554 1.00 0.00 C ATOM 57 O GLU A 5 -15.243 -13.045 0.629 1.00 0.00 O ATOM 58 CB GLU A 5 -12.906 -14.393 -0.126 1.00 0.00 C ATOM 59 CG GLU A 5 -12.122 -13.336 -0.971 1.00 0.00 C ATOM 60 CD GLU A 5 -11.236 -13.833 -2.116 1.00 0.00 C ATOM 61 OE1 GLU A 5 -11.927 -14.146 -3.247 1.00 0.00 O ATOM 62 OE2 GLU A 5 -10.020 -13.939 -2.020 1.00 0.00 O ATOM 0 H GLU A 5 -13.418 -16.077 1.854 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.534 -13.240 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.349 -15.329 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.862 -14.575 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.849 -12.641 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.493 -12.765 -0.288 1.00 0.00 H new ATOM 69 N GLU A 6 -15.117 -13.699 2.763 1.00 0.00 N ATOM 70 CA GLU A 6 -16.416 -13.134 3.122 1.00 0.00 C ATOM 71 C GLU A 6 -16.254 -11.796 3.805 1.00 0.00 C ATOM 72 O GLU A 6 -17.017 -10.850 3.575 1.00 0.00 O ATOM 73 CB GLU A 6 -17.160 -14.146 4.037 1.00 0.00 C ATOM 74 CG GLU A 6 -18.657 -14.452 3.697 1.00 0.00 C ATOM 75 CD GLU A 6 -19.197 -15.854 3.990 1.00 0.00 C ATOM 76 OE1 GLU A 6 -18.534 -16.871 3.828 1.00 0.00 O ATOM 77 OE2 GLU A 6 -20.480 -15.863 4.444 1.00 0.00 O ATOM 0 H GLU A 6 -14.653 -14.196 3.523 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.003 -12.961 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.610 -15.087 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.116 -13.772 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.274 -13.738 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.804 -14.255 2.635 1.00 0.00 H new ATOM 84 N MET A 7 -15.273 -11.705 4.683 1.00 0.00 N ATOM 85 CA MET A 7 -15.072 -10.511 5.500 1.00 0.00 C ATOM 86 C MET A 7 -14.574 -9.358 4.660 1.00 0.00 C ATOM 87 O MET A 7 -14.869 -8.186 4.923 1.00 0.00 O ATOM 88 CB MET A 7 -14.081 -10.823 6.655 1.00 0.00 C ATOM 89 CG MET A 7 -14.589 -10.515 8.080 1.00 0.00 C ATOM 90 SD MET A 7 -15.825 -11.732 8.563 1.00 0.00 S ATOM 91 CE MET A 7 -15.405 -11.860 10.307 1.00 0.00 C ATOM 0 H MET A 7 -14.595 -12.448 4.853 1.00 0.00 H new ATOM 0 HA MET A 7 -16.030 -10.217 5.929 1.00 0.00 H new ATOM 0 HB2 MET A 7 -13.816 -11.879 6.605 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.166 -10.256 6.486 1.00 0.00 H new ATOM 0 HG2 MET A 7 -13.757 -10.529 8.784 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.018 -9.514 8.114 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.069 -12.577 10.789 1.00 0.00 H new ATOM 0 HE2 MET A 7 -14.373 -12.195 10.409 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.518 -10.885 10.781 1.00 0.00 H new ATOM 101 N ARG A 8 -13.782 -9.670 3.651 1.00 0.00 N ATOM 102 CA ARG A 8 -13.199 -8.651 2.782 1.00 0.00 C ATOM 103 C ARG A 8 -14.271 -7.765 2.193 1.00 0.00 C ATOM 104 O ARG A 8 -14.104 -6.548 2.048 1.00 0.00 O ATOM 105 CB ARG A 8 -12.370 -9.352 1.671 1.00 0.00 C ATOM 106 CG ARG A 8 -10.991 -9.896 2.130 1.00 0.00 C ATOM 107 CD ARG A 8 -10.270 -8.938 3.087 1.00 0.00 C ATOM 108 NE ARG A 8 -10.462 -9.431 4.475 1.00 0.00 N ATOM 109 CZ ARG A 8 -9.736 -9.074 5.526 1.00 0.00 C ATOM 110 NH1 ARG A 8 -8.749 -8.229 5.484 1.00 0.00 N ATOM 111 NH2 ARG A 8 -10.035 -9.602 6.660 1.00 0.00 N ATOM 0 H ARG A 8 -13.523 -10.626 3.408 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.541 -8.008 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.955 -10.179 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.213 -8.646 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.129 -10.859 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.364 -10.071 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.208 -8.888 2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.668 -7.928 2.984 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.215 -10.100 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.489 -7.793 4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.235 -8.002 6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.805 -10.268 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.502 -9.355 7.494 1.00 0.00 H new ATOM 125 N ASP A 9 -15.383 -8.368 1.813 1.00 0.00 N ATOM 126 CA ASP A 9 -16.490 -7.636 1.205 1.00 0.00 C ATOM 127 C ASP A 9 -17.131 -6.699 2.202 1.00 0.00 C ATOM 128 O ASP A 9 -17.580 -5.597 1.864 1.00 0.00 O ATOM 129 CB ASP A 9 -17.519 -8.626 0.597 1.00 0.00 C ATOM 130 CG ASP A 9 -17.314 -9.014 -0.874 1.00 0.00 C ATOM 131 OD1 ASP A 9 -16.212 -9.078 -1.400 1.00 0.00 O ATOM 132 OD2 ASP A 9 -18.490 -9.264 -1.525 1.00 0.00 O ATOM 0 H ASP A 9 -15.548 -9.369 1.914 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.100 -7.021 0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.508 -9.538 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.513 -8.190 0.699 1.00 0.00 H new ATOM 137 N ARG A 10 -17.215 -7.136 3.444 1.00 0.00 N ATOM 138 CA ARG A 10 -17.717 -6.297 4.531 1.00 0.00 C ATOM 139 C ARG A 10 -17.003 -4.965 4.552 1.00 0.00 C ATOM 140 O ARG A 10 -17.611 -3.895 4.667 1.00 0.00 O ATOM 141 CB ARG A 10 -17.543 -7.052 5.878 1.00 0.00 C ATOM 142 CG ARG A 10 -18.398 -8.338 6.021 1.00 0.00 C ATOM 143 CD ARG A 10 -19.905 -8.048 6.011 1.00 0.00 C ATOM 144 NE ARG A 10 -20.607 -9.200 6.630 1.00 0.00 N ATOM 145 CZ ARG A 10 -21.910 -9.270 6.868 1.00 0.00 C ATOM 146 NH1 ARG A 10 -22.759 -8.326 6.587 1.00 0.00 N ATOM 147 NH2 ARG A 10 -22.357 -10.346 7.413 1.00 0.00 N ATOM 0 H ARG A 10 -16.941 -8.075 3.733 1.00 0.00 H new ATOM 0 HA ARG A 10 -18.776 -6.093 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.492 -7.317 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.794 -6.374 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.158 -9.022 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.135 -8.843 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.119 -7.132 6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.255 -7.894 4.990 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.040 -10.005 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -22.435 -7.461 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -23.749 -8.451 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.716 -11.104 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -23.353 -10.441 7.613 1.00 0.00 H new ATOM 161 N ALA A 11 -15.690 -5.012 4.409 1.00 0.00 N ATOM 162 CA ALA A 11 -14.848 -3.833 4.584 1.00 0.00 C ATOM 163 C ALA A 11 -14.322 -3.332 3.259 1.00 0.00 C ATOM 164 O ALA A 11 -13.222 -2.770 3.169 1.00 0.00 O ATOM 165 CB ALA A 11 -13.722 -4.205 5.566 1.00 0.00 C ATOM 0 H ALA A 11 -15.177 -5.860 4.170 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.426 -3.007 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.073 -3.343 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.156 -4.506 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.139 -5.030 5.156 1.00 0.00 H new ATOM 171 N ARG A 12 -15.089 -3.532 2.204 1.00 0.00 N ATOM 172 CA ARG A 12 -14.654 -3.183 0.853 1.00 0.00 C ATOM 173 C ARG A 12 -14.880 -1.716 0.573 1.00 0.00 C ATOM 174 O ARG A 12 -14.068 -1.041 -0.070 1.00 0.00 O ATOM 175 CB ARG A 12 -15.411 -4.077 -0.167 1.00 0.00 C ATOM 176 CG ARG A 12 -14.586 -4.500 -1.411 1.00 0.00 C ATOM 177 CD ARG A 12 -13.307 -3.670 -1.582 1.00 0.00 C ATOM 178 NE ARG A 12 -12.593 -4.155 -2.790 1.00 0.00 N ATOM 179 CZ ARG A 12 -12.761 -3.692 -4.022 1.00 0.00 C ATOM 180 NH1 ARG A 12 -13.586 -2.739 -4.341 1.00 0.00 N ATOM 181 NH2 ARG A 12 -12.059 -4.226 -4.957 1.00 0.00 N ATOM 0 H ARG A 12 -16.024 -3.937 2.251 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.583 -3.363 0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.753 -4.976 0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.300 -3.544 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.322 -5.554 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.203 -4.397 -2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.552 -2.613 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.672 -3.766 -0.702 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.916 -4.907 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.157 -2.296 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.662 -2.434 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.404 -4.976 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.157 -3.900 -5.918 1.00 0.00 H new ATOM 195 N ALA A 13 -15.997 -1.198 1.048 1.00 0.00 N ATOM 196 CA ALA A 13 -16.318 0.221 0.919 1.00 0.00 C ATOM 197 C ALA A 13 -15.605 1.045 1.966 1.00 0.00 C ATOM 198 O ALA A 13 -15.362 2.247 1.788 1.00 0.00 O ATOM 199 CB ALA A 13 -17.849 0.359 0.997 1.00 0.00 C ATOM 0 H ALA A 13 -16.709 -1.743 1.534 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.969 0.608 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.125 1.409 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.307 -0.210 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -18.201 -0.025 1.955 1.00 0.00 H new ATOM 205 N HIS A 14 -15.284 0.430 3.089 1.00 0.00 N ATOM 206 CA HIS A 14 -14.493 1.086 4.129 1.00 0.00 C ATOM 207 C HIS A 14 -13.102 1.418 3.640 1.00 0.00 C ATOM 208 O HIS A 14 -12.445 2.341 4.147 1.00 0.00 O ATOM 209 CB HIS A 14 -14.421 0.102 5.310 1.00 0.00 C ATOM 210 CG HIS A 14 -15.763 -0.123 5.943 1.00 0.00 C ATOM 211 ND1 HIS A 14 -16.996 0.075 5.325 1.00 0.00 N ATOM 212 CD2 HIS A 14 -15.915 -0.561 7.251 1.00 0.00 C ATOM 213 CE1 HIS A 14 -17.817 -0.273 6.334 1.00 0.00 C ATOM 214 NE2 HIS A 14 -17.257 -0.659 7.512 1.00 0.00 N ATOM 0 H HIS A 14 -15.557 -0.527 3.311 1.00 0.00 H new ATOM 0 HA HIS A 14 -14.956 2.029 4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.021 -0.851 4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -13.728 0.486 6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -15.116 -0.785 7.942 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.890 -0.246 6.211 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -17.720 -0.949 8.374 1.00 0.00 H new ATOM 222 N VAL A 15 -12.622 0.686 2.652 1.00 0.00 N ATOM 223 CA VAL A 15 -11.335 0.984 2.026 1.00 0.00 C ATOM 224 C VAL A 15 -11.393 2.292 1.273 1.00 0.00 C ATOM 225 O VAL A 15 -10.397 3.011 1.133 1.00 0.00 O ATOM 226 CB VAL A 15 -10.912 -0.200 1.069 1.00 0.00 C ATOM 227 CG1 VAL A 15 -11.278 -0.040 -0.433 1.00 0.00 C ATOM 228 CG2 VAL A 15 -9.394 -0.510 1.086 1.00 0.00 C ATOM 0 H VAL A 15 -13.102 -0.124 2.260 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.582 1.085 2.808 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.502 -1.008 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.936 -0.915 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.359 0.055 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.796 0.852 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.183 -1.334 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.839 0.373 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.091 -0.788 2.095 1.00 0.00 H new ATOM 238 N ASP A 16 -12.571 2.631 0.778 1.00 0.00 N ATOM 239 CA ASP A 16 -12.809 3.942 0.180 1.00 0.00 C ATOM 240 C ASP A 16 -12.634 5.041 1.203 1.00 0.00 C ATOM 241 O ASP A 16 -11.893 6.012 1.007 1.00 0.00 O ATOM 242 CB ASP A 16 -14.210 3.988 -0.485 1.00 0.00 C ATOM 243 CG ASP A 16 -14.486 5.164 -1.433 1.00 0.00 C ATOM 244 OD1 ASP A 16 -14.193 5.147 -2.620 1.00 0.00 O ATOM 245 OD2 ASP A 16 -15.108 6.212 -0.813 1.00 0.00 O ATOM 0 H ASP A 16 -13.384 2.016 0.777 1.00 0.00 H new ATOM 0 HA ASP A 16 -12.067 4.109 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.353 3.062 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -14.961 4.004 0.305 1.00 0.00 H new ATOM 250 N ALA A 17 -13.346 4.921 2.309 1.00 0.00 N ATOM 251 CA ALA A 17 -13.163 5.802 3.460 1.00 0.00 C ATOM 252 C ALA A 17 -11.699 5.987 3.784 1.00 0.00 C ATOM 253 O ALA A 17 -11.258 7.062 4.211 1.00 0.00 O ATOM 254 CB ALA A 17 -13.957 5.204 4.635 1.00 0.00 C ATOM 0 H ALA A 17 -14.068 4.212 2.440 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.540 6.801 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -13.841 5.839 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.012 5.143 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.581 4.206 4.858 1.00 0.00 H new ATOM 260 N LEU A 18 -10.918 4.939 3.601 1.00 0.00 N ATOM 261 CA LEU A 18 -9.527 4.922 4.046 1.00 0.00 C ATOM 262 C LEU A 18 -8.659 5.783 3.158 1.00 0.00 C ATOM 263 O LEU A 18 -7.706 6.429 3.616 1.00 0.00 O ATOM 264 CB LEU A 18 -8.991 3.463 4.101 1.00 0.00 C ATOM 265 CG LEU A 18 -9.361 2.596 5.336 1.00 0.00 C ATOM 266 CD1 LEU A 18 -9.108 1.097 5.107 1.00 0.00 C ATOM 267 CD2 LEU A 18 -8.578 3.072 6.567 1.00 0.00 C ATOM 0 H LEU A 18 -11.222 4.079 3.144 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.488 5.341 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.345 2.944 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.904 3.504 4.035 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.431 2.721 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.384 0.540 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.708 0.751 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.052 0.935 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.844 2.458 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.509 2.983 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.824 4.113 6.774 1.00 0.00 H new ATOM 279 N ARG A 19 -8.948 5.787 1.871 1.00 0.00 N ATOM 280 CA ARG A 19 -8.173 6.563 0.906 1.00 0.00 C ATOM 281 C ARG A 19 -8.323 8.045 1.159 1.00 0.00 C ATOM 282 O ARG A 19 -7.384 8.832 0.990 1.00 0.00 O ATOM 283 CB ARG A 19 -8.628 6.185 -0.531 1.00 0.00 C ATOM 284 CG ARG A 19 -7.641 6.594 -1.656 1.00 0.00 C ATOM 285 CD ARG A 19 -7.860 5.800 -2.951 1.00 0.00 C ATOM 286 NE ARG A 19 -9.322 5.681 -3.183 1.00 0.00 N ATOM 287 CZ ARG A 19 -9.971 6.128 -4.249 1.00 0.00 C ATOM 288 NH1 ARG A 19 -9.407 6.739 -5.249 1.00 0.00 N ATOM 289 NH2 ARG A 19 -11.243 5.943 -4.291 1.00 0.00 N ATOM 0 H ARG A 19 -9.719 5.259 1.461 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.115 6.326 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.782 5.107 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.593 6.653 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.753 7.658 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.619 6.443 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.382 6.304 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.406 4.812 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.873 5.216 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.400 6.901 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.972 7.056 -6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.715 5.468 -3.522 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.780 6.272 -5.094 1.00 0.00 H new ATOM 303 N THR A 20 -9.506 8.449 1.585 1.00 0.00 N ATOM 304 CA THR A 20 -9.812 9.863 1.782 1.00 0.00 C ATOM 305 C THR A 20 -8.864 10.488 2.779 1.00 0.00 C ATOM 306 O THR A 20 -8.554 11.685 2.719 1.00 0.00 O ATOM 307 CB THR A 20 -11.298 10.051 2.243 1.00 0.00 C ATOM 308 OG1 THR A 20 -12.188 9.810 1.161 1.00 0.00 O ATOM 309 CG2 THR A 20 -11.683 11.455 2.756 1.00 0.00 C ATOM 0 H THR A 20 -10.277 7.818 1.803 1.00 0.00 H new ATOM 0 HA THR A 20 -9.682 10.371 0.826 1.00 0.00 H new ATOM 0 HB THR A 20 -11.381 9.343 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.112 9.930 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.734 11.461 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.068 11.708 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.520 12.188 1.966 1.00 0.00 H new ATOM 317 N HIS A 21 -8.410 9.697 3.733 1.00 0.00 N ATOM 318 CA HIS A 21 -7.454 10.163 4.734 1.00 0.00 C ATOM 319 C HIS A 21 -6.087 10.364 4.124 1.00 0.00 C ATOM 320 O HIS A 21 -5.428 11.391 4.326 1.00 0.00 O ATOM 321 CB HIS A 21 -7.399 9.078 5.823 1.00 0.00 C ATOM 322 CG HIS A 21 -8.550 9.172 6.781 1.00 0.00 C ATOM 323 ND1 HIS A 21 -9.034 10.342 7.361 1.00 0.00 N ATOM 324 CD2 HIS A 21 -9.272 8.062 7.198 1.00 0.00 C ATOM 325 CE1 HIS A 21 -10.033 9.833 8.106 1.00 0.00 C ATOM 326 NE2 HIS A 21 -10.244 8.490 8.065 1.00 0.00 N ATOM 0 H HIS A 21 -8.687 8.721 3.840 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.763 11.124 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.400 8.095 5.353 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -6.463 9.167 6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.098 7.041 6.893 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -10.650 10.473 8.719 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -10.948 7.939 8.556 1.00 0.00 H new ATOM 334 N LEU A 22 -5.627 9.375 3.381 1.00 0.00 N ATOM 335 CA LEU A 22 -4.279 9.393 2.816 1.00 0.00 C ATOM 336 C LEU A 22 -4.282 9.905 1.394 1.00 0.00 C ATOM 337 O LEU A 22 -3.458 9.500 0.560 1.00 0.00 O ATOM 338 CB LEU A 22 -3.639 7.977 2.891 1.00 0.00 C ATOM 339 CG LEU A 22 -4.337 6.817 2.130 1.00 0.00 C ATOM 340 CD1 LEU A 22 -3.782 6.620 0.709 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.203 5.510 2.923 1.00 0.00 C ATOM 0 H LEU A 22 -6.167 8.541 3.150 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.676 10.079 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.617 8.053 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.575 7.695 3.942 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.388 7.090 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.307 5.796 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.928 7.533 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.718 6.391 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.696 4.703 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.148 5.269 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.670 5.628 3.901 1.00 0.00 H new ATOM 353 N ALA A 23 -5.196 10.805 1.085 1.00 0.00 N ATOM 354 CA ALA A 23 -5.184 11.508 -0.195 1.00 0.00 C ATOM 355 C ALA A 23 -3.839 12.147 -0.447 1.00 0.00 C ATOM 356 O ALA A 23 -3.172 11.890 -1.453 1.00 0.00 O ATOM 357 CB ALA A 23 -6.335 12.530 -0.184 1.00 0.00 C ATOM 0 H ALA A 23 -5.962 11.071 1.703 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.339 10.812 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.350 13.071 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.283 12.009 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.188 13.235 0.635 1.00 0.00 H new ATOM 363 N PRO A 24 -3.422 12.999 0.470 1.00 0.00 N ATOM 364 CA PRO A 24 -2.144 13.839 0.417 1.00 0.00 C ATOM 365 C PRO A 24 -0.883 13.148 0.886 1.00 0.00 C ATOM 366 O PRO A 24 0.101 13.796 1.272 1.00 0.00 O ATOM 367 CB PRO A 24 -2.412 15.027 1.334 1.00 0.00 C ATOM 368 CG PRO A 24 -3.194 14.335 2.464 1.00 0.00 C ATOM 369 CD PRO A 24 -4.099 13.328 1.747 1.00 0.00 C ATOM 0 HA PRO A 24 -1.949 14.089 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.493 15.492 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.995 15.807 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.523 13.837 3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.778 15.053 3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.243 12.433 2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.087 13.752 1.566 1.00 0.00 H new ATOM 377 N TYR A 25 -0.863 11.829 0.835 1.00 0.00 N ATOM 378 CA TYR A 25 0.254 11.035 1.339 1.00 0.00 C ATOM 379 C TYR A 25 1.001 10.328 0.227 1.00 0.00 C ATOM 380 O TYR A 25 2.166 9.934 0.395 1.00 0.00 O ATOM 381 CB TYR A 25 -0.247 9.947 2.336 1.00 0.00 C ATOM 382 CG TYR A 25 -0.409 10.368 3.801 1.00 0.00 C ATOM 383 CD1 TYR A 25 -0.026 11.647 4.216 1.00 0.00 C ATOM 384 CD2 TYR A 25 -0.933 9.470 4.739 1.00 0.00 C ATOM 385 CE1 TYR A 25 -0.118 12.007 5.558 1.00 0.00 C ATOM 386 CE2 TYR A 25 -1.020 9.830 6.082 1.00 0.00 C ATOM 387 CZ TYR A 25 -0.617 11.098 6.488 1.00 0.00 C ATOM 388 OH TYR A 25 -0.715 11.462 7.805 1.00 0.00 O ATOM 0 H TYR A 25 -1.621 11.271 0.442 1.00 0.00 H new ATOM 0 HA TYR A 25 0.924 11.737 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.210 9.579 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.448 9.108 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.343 12.359 3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.271 8.495 4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.197 12.989 5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.400 9.125 6.807 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.083 10.716 8.324 1.00 0.00 H new ATOM 398 N SER A 26 0.353 10.119 -0.904 1.00 0.00 N ATOM 399 CA SER A 26 0.905 9.309 -1.989 1.00 0.00 C ATOM 400 C SER A 26 2.306 9.748 -2.350 1.00 0.00 C ATOM 401 O SER A 26 3.267 8.970 -2.292 1.00 0.00 O ATOM 402 CB SER A 26 -0.026 9.330 -3.230 1.00 0.00 C ATOM 403 OG SER A 26 -1.203 8.534 -3.054 1.00 0.00 O ATOM 0 H SER A 26 -0.571 10.503 -1.102 1.00 0.00 H new ATOM 0 HA SER A 26 0.966 8.280 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.317 10.359 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.525 8.969 -4.098 1.00 0.00 H new ATOM 0 HG SER A 26 -1.755 8.583 -3.862 1.00 0.00 H new ATOM 409 N ASP A 27 2.446 10.999 -2.748 1.00 0.00 N ATOM 410 CA ASP A 27 3.710 11.504 -3.276 1.00 0.00 C ATOM 411 C ASP A 27 4.487 12.238 -2.208 1.00 0.00 C ATOM 412 O ASP A 27 4.670 13.460 -2.256 1.00 0.00 O ATOM 413 CB ASP A 27 3.456 12.393 -4.523 1.00 0.00 C ATOM 414 CG ASP A 27 2.202 13.279 -4.495 1.00 0.00 C ATOM 415 OD1 ASP A 27 1.103 12.891 -4.864 1.00 0.00 O ATOM 416 OD2 ASP A 27 2.457 14.543 -4.040 1.00 0.00 O ATOM 0 H ASP A 27 1.698 11.692 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 27 4.321 10.658 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.324 13.037 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.395 11.744 -5.397 1.00 0.00 H new ATOM 421 N GLU A 28 4.977 11.497 -1.230 1.00 0.00 N ATOM 422 CA GLU A 28 5.867 12.052 -0.214 1.00 0.00 C ATOM 423 C GLU A 28 6.944 11.060 0.162 1.00 0.00 C ATOM 424 O GLU A 28 8.122 11.407 0.313 1.00 0.00 O ATOM 425 CB GLU A 28 5.012 12.461 1.018 1.00 0.00 C ATOM 426 CG GLU A 28 4.975 11.495 2.248 1.00 0.00 C ATOM 427 CD GLU A 28 4.738 12.098 3.636 1.00 0.00 C ATOM 428 OE1 GLU A 28 5.522 13.178 3.904 1.00 0.00 O ATOM 429 OE2 GLU A 28 3.919 11.649 4.426 1.00 0.00 O ATOM 0 H GLU A 28 4.775 10.504 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 28 6.376 12.932 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.372 13.429 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.987 12.606 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.193 10.757 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.922 10.956 2.277 1.00 0.00 H new ATOM 436 N LEU A 29 6.554 9.814 0.352 1.00 0.00 N ATOM 437 CA LEU A 29 7.504 8.724 0.564 1.00 0.00 C ATOM 438 C LEU A 29 7.514 7.779 -0.615 1.00 0.00 C ATOM 439 O LEU A 29 6.524 7.101 -0.916 1.00 0.00 O ATOM 440 CB LEU A 29 7.184 7.966 1.884 1.00 0.00 C ATOM 441 CG LEU A 29 6.126 6.830 1.844 1.00 0.00 C ATOM 442 CD1 LEU A 29 6.006 6.172 3.226 1.00 0.00 C ATOM 443 CD2 LEU A 29 4.743 7.321 1.385 1.00 0.00 C ATOM 0 H LEU A 29 5.576 9.524 0.365 1.00 0.00 H new ATOM 0 HA LEU A 29 8.501 9.155 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.115 7.540 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.854 8.701 2.618 1.00 0.00 H new ATOM 0 HG LEU A 29 6.472 6.102 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.262 5.377 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.970 5.753 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.701 6.919 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.044 6.484 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.383 8.087 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.820 7.740 0.382 1.00 0.00 H new ATOM 455 N ARG A 30 8.627 7.743 -1.324 1.00 0.00 N ATOM 456 CA ARG A 30 8.809 6.814 -2.435 1.00 0.00 C ATOM 457 C ARG A 30 10.228 6.860 -2.951 1.00 0.00 C ATOM 458 O ARG A 30 10.815 5.841 -3.332 1.00 0.00 O ATOM 459 CB ARG A 30 7.788 7.158 -3.554 1.00 0.00 C ATOM 460 CG ARG A 30 7.047 5.937 -4.160 1.00 0.00 C ATOM 461 CD ARG A 30 5.551 6.201 -4.370 1.00 0.00 C ATOM 462 NE ARG A 30 4.808 5.599 -3.233 1.00 0.00 N ATOM 463 CZ ARG A 30 3.933 4.607 -3.324 1.00 0.00 C ATOM 464 NH1 ARG A 30 3.606 4.016 -4.435 1.00 0.00 N ATOM 465 NH2 ARG A 30 3.374 4.207 -2.237 1.00 0.00 N ATOM 0 H ARG A 30 9.428 8.350 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 30 8.629 5.796 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.049 7.850 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.311 7.681 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.504 5.676 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.172 5.077 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.358 7.272 -4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.218 5.768 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 30 4.986 5.981 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.032 4.310 -5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.923 3.258 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.610 4.650 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.695 3.446 -2.263 1.00 0.00 H new ATOM 479 N GLN A 31 10.792 8.052 -3.002 1.00 0.00 N ATOM 480 CA GLN A 31 12.210 8.226 -3.302 1.00 0.00 C ATOM 481 C GLN A 31 13.065 7.738 -2.154 1.00 0.00 C ATOM 482 O GLN A 31 14.214 7.315 -2.325 1.00 0.00 O ATOM 483 CB GLN A 31 12.477 9.718 -3.594 1.00 0.00 C ATOM 484 CG GLN A 31 11.872 10.284 -4.922 1.00 0.00 C ATOM 485 CD GLN A 31 11.692 11.799 -5.076 1.00 0.00 C ATOM 486 OE1 GLN A 31 10.721 12.264 -5.653 1.00 0.00 O ATOM 487 NE2 GLN A 31 12.592 12.617 -4.594 1.00 0.00 N ATOM 0 H GLN A 31 10.289 8.924 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 31 12.473 7.633 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.086 10.305 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.555 9.875 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.505 9.944 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.895 9.822 -5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.410 12.247 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.476 13.624 -4.703 1.00 0.00 H new ATOM 496 N ARG A 32 12.522 7.817 -0.953 1.00 0.00 N ATOM 497 CA ARG A 32 13.146 7.225 0.226 1.00 0.00 C ATOM 498 C ARG A 32 13.166 5.717 0.130 1.00 0.00 C ATOM 499 O ARG A 32 14.112 5.049 0.563 1.00 0.00 O ATOM 500 CB ARG A 32 12.382 7.708 1.493 1.00 0.00 C ATOM 501 CG ARG A 32 13.241 7.784 2.782 1.00 0.00 C ATOM 502 CD ARG A 32 12.394 7.698 4.059 1.00 0.00 C ATOM 503 NE ARG A 32 12.811 6.491 4.817 1.00 0.00 N ATOM 504 CZ ARG A 32 13.058 6.446 6.119 1.00 0.00 C ATOM 505 NH1 ARG A 32 12.971 7.469 6.918 1.00 0.00 N ATOM 506 NH2 ARG A 32 13.406 5.314 6.619 1.00 0.00 N ATOM 0 H ARG A 32 11.639 8.291 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 32 14.185 7.549 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.964 8.695 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.543 7.036 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.969 6.973 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.804 8.718 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.531 8.593 4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.335 7.641 3.809 1.00 0.00 H new ATOM 0 HE ARG A 32 12.916 5.623 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.697 8.381 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.176 7.359 7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.483 4.493 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.605 5.237 7.616 1.00 0.00 H new ATOM 520 N LEU A 33 12.125 5.155 -0.456 1.00 0.00 N ATOM 521 CA LEU A 33 12.081 3.729 -0.772 1.00 0.00 C ATOM 522 C LEU A 33 12.919 3.381 -1.980 1.00 0.00 C ATOM 523 O LEU A 33 13.221 2.203 -2.234 1.00 0.00 O ATOM 524 CB LEU A 33 10.606 3.272 -0.979 1.00 0.00 C ATOM 525 CG LEU A 33 9.547 3.742 0.055 1.00 0.00 C ATOM 526 CD1 LEU A 33 8.176 3.886 -0.619 1.00 0.00 C ATOM 527 CD2 LEU A 33 9.434 2.796 1.262 1.00 0.00 C ATOM 0 H LEU A 33 11.286 5.667 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 33 12.509 3.194 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.286 3.612 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.593 2.182 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 33 9.881 4.709 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.442 4.216 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.241 4.620 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.870 2.924 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.679 3.174 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.147 1.802 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.396 2.740 1.772 1.00 0.00 H new ATOM 539 N ALA A 34 13.288 4.370 -2.770 1.00 0.00 N ATOM 540 CA ALA A 34 14.114 4.155 -3.959 1.00 0.00 C ATOM 541 C ALA A 34 15.594 4.142 -3.656 1.00 0.00 C ATOM 542 O ALA A 34 16.431 4.329 -4.559 1.00 0.00 O ATOM 543 CB ALA A 34 13.739 5.255 -4.974 1.00 0.00 C ATOM 0 H ALA A 34 13.029 5.344 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 34 13.914 3.166 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.333 5.133 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.680 5.176 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.938 6.234 -4.539 1.00 0.00 H new ATOM 549 N ALA A 35 15.968 3.958 -2.404 1.00 0.00 N ATOM 550 CA ALA A 35 17.373 3.849 -2.019 1.00 0.00 C ATOM 551 C ALA A 35 17.722 2.433 -1.625 1.00 0.00 C ATOM 552 O ALA A 35 18.752 1.879 -2.031 1.00 0.00 O ATOM 553 CB ALA A 35 17.624 4.860 -0.887 1.00 0.00 C ATOM 0 H ALA A 35 15.315 3.879 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 35 18.024 4.085 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.667 4.805 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.404 5.867 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.979 4.626 -0.040 1.00 0.00 H new ATOM 559 N ARG A 36 16.886 1.830 -0.800 1.00 0.00 N ATOM 560 CA ARG A 36 17.020 0.416 -0.461 1.00 0.00 C ATOM 561 C ARG A 36 16.695 -0.457 -1.651 1.00 0.00 C ATOM 562 O ARG A 36 17.355 -1.467 -1.921 1.00 0.00 O ATOM 563 CB ARG A 36 16.094 0.098 0.745 1.00 0.00 C ATOM 564 CG ARG A 36 16.131 -1.376 1.227 1.00 0.00 C ATOM 565 CD ARG A 36 17.392 -1.696 2.043 1.00 0.00 C ATOM 566 NE ARG A 36 17.167 -2.959 2.804 1.00 0.00 N ATOM 567 CZ ARG A 36 18.036 -3.538 3.618 1.00 0.00 C ATOM 568 NH1 ARG A 36 19.224 -3.075 3.873 1.00 0.00 N ATOM 569 NH2 ARG A 36 17.672 -4.630 4.192 1.00 0.00 N ATOM 0 H ARG A 36 16.100 2.297 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 36 18.052 0.203 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 36 16.372 0.744 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.069 0.350 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.248 -1.579 1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.083 -2.039 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 36 18.252 -1.802 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.616 -0.878 2.728 1.00 0.00 H new ATOM 0 HE ARG A 36 16.263 -3.417 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 36 19.540 -2.210 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.840 -3.577 4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.745 -5.016 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.310 -5.110 4.827 1.00 0.00 H new ATOM 583 N LEU A 37 15.669 -0.074 -2.388 1.00 0.00 N ATOM 584 CA LEU A 37 15.345 -0.709 -3.663 1.00 0.00 C ATOM 585 C LEU A 37 16.537 -0.724 -4.592 1.00 0.00 C ATOM 586 O LEU A 37 16.638 -1.563 -5.499 1.00 0.00 O ATOM 587 CB LEU A 37 14.128 -0.001 -4.327 1.00 0.00 C ATOM 588 CG LEU A 37 14.346 0.785 -5.647 1.00 0.00 C ATOM 589 CD1 LEU A 37 13.069 1.497 -6.132 1.00 0.00 C ATOM 590 CD2 LEU A 37 15.474 1.814 -5.483 1.00 0.00 C ATOM 0 H LEU A 37 15.036 0.682 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 37 15.075 -1.746 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.369 -0.760 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.711 0.692 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 37 14.622 0.049 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.280 2.031 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.286 0.760 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.737 2.205 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.612 2.355 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.213 2.517 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.399 1.301 -5.221 1.00 0.00 H new ATOM 602 N GLU A 38 17.460 0.200 -4.397 1.00 0.00 N ATOM 603 CA GLU A 38 18.702 0.228 -5.164 1.00 0.00 C ATOM 604 C GLU A 38 19.576 -0.955 -4.819 1.00 0.00 C ATOM 605 O GLU A 38 20.145 -1.620 -5.693 1.00 0.00 O ATOM 606 CB GLU A 38 19.434 1.571 -4.878 1.00 0.00 C ATOM 607 CG GLU A 38 20.142 2.276 -6.081 1.00 0.00 C ATOM 608 CD GLU A 38 21.236 3.303 -5.780 1.00 0.00 C ATOM 609 OE1 GLU A 38 22.237 3.038 -5.127 1.00 0.00 O ATOM 610 OE2 GLU A 38 20.991 4.536 -6.305 1.00 0.00 O ATOM 0 H GLU A 38 17.376 0.949 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 38 18.477 0.159 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.708 2.268 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.182 1.389 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.578 1.500 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.374 2.773 -6.674 1.00 0.00 H new ATOM 617 N ALA A 39 19.722 -1.219 -3.533 1.00 0.00 N ATOM 618 CA ALA A 39 20.538 -2.335 -3.062 1.00 0.00 C ATOM 619 C ALA A 39 20.095 -3.633 -3.697 1.00 0.00 C ATOM 620 O ALA A 39 20.906 -4.515 -4.008 1.00 0.00 O ATOM 621 CB ALA A 39 20.453 -2.366 -1.526 1.00 0.00 C ATOM 0 H ALA A 39 19.285 -0.675 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 39 21.579 -2.203 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.054 -3.191 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.829 -1.426 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.415 -2.502 -1.222 1.00 0.00 H new ATOM 627 N LEU A 40 18.796 -3.787 -3.872 1.00 0.00 N ATOM 628 CA LEU A 40 18.216 -5.053 -4.311 1.00 0.00 C ATOM 629 C LEU A 40 18.580 -5.348 -5.747 1.00 0.00 C ATOM 630 O LEU A 40 18.907 -6.483 -6.115 1.00 0.00 O ATOM 631 CB LEU A 40 16.671 -5.037 -4.121 1.00 0.00 C ATOM 632 CG LEU A 40 15.978 -6.349 -3.663 1.00 0.00 C ATOM 633 CD1 LEU A 40 15.887 -6.393 -2.131 1.00 0.00 C ATOM 634 CD2 LEU A 40 14.575 -6.523 -4.269 1.00 0.00 C ATOM 0 H LEU A 40 18.112 -3.046 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 40 18.630 -5.850 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.432 -4.262 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.222 -4.735 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 40 16.593 -7.173 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 15.399 -7.317 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 40 16.890 -6.352 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.307 -5.541 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.139 -7.457 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.942 -5.689 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.649 -6.547 -5.356 1.00 0.00 H new ATOM 646 N LYS A 41 18.500 -4.337 -6.593 1.00 0.00 N ATOM 647 CA LYS A 41 18.648 -4.522 -8.034 1.00 0.00 C ATOM 648 C LYS A 41 20.028 -4.115 -8.494 1.00 0.00 C ATOM 649 O LYS A 41 20.949 -4.935 -8.595 1.00 0.00 O ATOM 650 CB LYS A 41 17.552 -3.706 -8.774 1.00 0.00 C ATOM 651 CG LYS A 41 16.199 -4.452 -8.886 1.00 0.00 C ATOM 652 CD LYS A 41 15.820 -4.888 -10.304 1.00 0.00 C ATOM 653 CE LYS A 41 15.950 -3.690 -11.254 1.00 0.00 C ATOM 654 NZ LYS A 41 14.772 -3.635 -12.138 1.00 0.00 N ATOM 0 H LYS A 41 18.332 -3.372 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 41 18.525 -5.579 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.396 -2.763 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.907 -3.460 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.233 -5.334 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.411 -3.807 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.469 -5.700 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 41 14.799 -5.270 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.032 -2.766 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.860 -3.780 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.859 -2.823 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.713 -4.513 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.911 -3.530 -11.564 1.00 0.00 H new ATOM 668 N GLU A 42 20.189 -2.843 -8.811 1.00 0.00 N ATOM 669 CA GLU A 42 21.414 -2.354 -9.438 1.00 0.00 C ATOM 670 C GLU A 42 21.432 -0.844 -9.497 1.00 0.00 C ATOM 671 O GLU A 42 20.799 -0.152 -8.692 1.00 0.00 O ATOM 672 CB GLU A 42 21.520 -2.974 -10.859 1.00 0.00 C ATOM 673 CG GLU A 42 20.651 -2.330 -11.989 1.00 0.00 C ATOM 674 CD GLU A 42 21.315 -2.026 -13.334 1.00 0.00 C ATOM 675 OE1 GLU A 42 22.095 -0.910 -13.320 1.00 0.00 O ATOM 676 OE2 GLU A 42 21.159 -2.724 -14.327 1.00 0.00 O ATOM 0 H GLU A 42 19.486 -2.123 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 42 22.276 -2.655 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 42 22.564 -2.930 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 21.253 -4.028 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 42 19.807 -2.994 -12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.242 -1.397 -11.602 1.00 0.00 H new ATOM 683 N ASN A 43 22.188 -0.306 -10.438 1.00 0.00 N ATOM 684 CA ASN A 43 22.173 1.130 -10.707 1.00 0.00 C ATOM 685 C ASN A 43 22.664 1.908 -9.509 1.00 0.00 C ATOM 686 O ASN A 43 21.890 2.321 -8.637 1.00 0.00 O ATOM 687 CB ASN A 43 20.731 1.569 -11.096 1.00 0.00 C ATOM 688 CG ASN A 43 20.414 3.066 -11.007 1.00 0.00 C ATOM 689 OD1 ASN A 43 20.797 3.866 -11.847 1.00 0.00 O ATOM 690 ND2 ASN A 43 19.710 3.500 -9.997 1.00 0.00 N ATOM 0 H ASN A 43 22.823 -0.839 -11.032 1.00 0.00 H new ATOM 0 HA ASN A 43 22.847 1.342 -11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 43 20.541 1.242 -12.118 1.00 0.00 H new ATOM 0 HB3 ASN A 43 20.029 1.035 -10.455 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.488 4.493 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 43 19.382 2.847 -9.286 1.00 0.00 H new ATOM 697 N GLY A 44 23.962 2.141 -9.457 1.00 0.00 N ATOM 698 CA GLY A 44 24.586 2.800 -8.313 1.00 0.00 C ATOM 699 C GLY A 44 25.920 2.170 -7.988 1.00 0.00 C ATOM 700 O GLY A 44 26.125 1.596 -6.912 1.00 0.00 O ATOM 0 H GLY A 44 24.614 1.883 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 24.723 3.860 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 44 23.928 2.734 -7.447 1.00 0.00 H new ATOM 704 N GLY A 45 26.855 2.273 -8.913 1.00 0.00 N ATOM 705 CA GLY A 45 28.231 1.846 -8.675 1.00 0.00 C ATOM 706 C GLY A 45 28.408 0.383 -9.009 1.00 0.00 C ATOM 707 O GLY A 45 29.169 -0.346 -8.362 1.00 0.00 O ATOM 0 H GLY A 45 26.690 2.651 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 45 28.912 2.446 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 45 28.494 2.019 -7.632 1.00 0.00 H new ATOM 711 N ALA A 46 27.728 -0.064 -10.049 1.00 0.00 N ATOM 712 CA ALA A 46 27.717 -1.479 -10.411 1.00 0.00 C ATOM 713 C ALA A 46 27.315 -2.335 -9.234 1.00 0.00 C ATOM 714 O ALA A 46 28.154 -3.050 -8.604 1.00 0.00 O ATOM 715 CB ALA A 46 29.113 -1.831 -10.956 1.00 0.00 C ATOM 716 OXT ALA A 46 26.086 -2.301 -8.915 1.00 0.00 O ATOM 0 H ALA A 46 27.172 0.531 -10.663 1.00 0.00 H new ATOM 0 HA ALA A 46 26.974 -1.678 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 46 29.139 -2.884 -11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 46 29.328 -1.217 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.862 -1.642 -10.187 1.00 0.00 H new TER 722 ALA A 46 END