USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 hets) HEADER EPIDERMAL GROWTH FACTOR 24-MAR-92 1EPG TITLE THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURES OF TITLE 2 MOUSE EPIDERMAL GROWTH FACTOR IN ACIDIC AND PHYSIOLOGICAL TITLE 3 PH SOLUTIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090 KEYWDS EPIDERMAL GROWTH FACTOR EXPDTA SOLUTION NMR AUTHOR D.KOHDA,F.INAGAKI REVDAT 2 24-FEB-09 1EPG 1 VERSN REVDAT 1 31-JAN-94 1EPG 0 JRNL AUTH D.KOHDA,F.INAGAKI JRNL TITL THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE JRNL TITL 2 STRUCTURES OF MOUSE EPIDERMAL GROWTH FACTOR IN JRNL TITL 3 ACIDIC AND PHYSIOLOGICAL PH SOLUTIONS. JRNL REF BIOCHEMISTRY V. 31 11928 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1445923 JRNL DOI 10.1021/BI00162A036 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.KOHDA,F.INAGAKI REMARK 1 TITL STRUCTURE OF EPIDERMAL GROWTH FACTOR BOUND TO REMARK 1 TITL 2 PERDEUTERATED DODECYLPHOSPHOCHOLINE MICELLES REMARK 1 TITL 3 DETERMINED BY TWO-DIMENSIONAL NMR AND SIMULATED REMARK 1 TITL 4 ANNEALING CALCULATIONS REMARK 1 REF BIOCHEMISTRY V. 31 677 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH D.KOHDA,T.SAWADA,F.INAGAKI REMARK 1 TITL CHARACTERIZATION OF PH TITRATION SHIFTS FOR ALL REMARK 1 TITL 2 THE NONLABILE PROTON RESONANCES IN A PROTEIN BY REMARK 1 TITL 3 TWO-DIMENSIONAL NMR: THE CASE OF MOUSE EPIDERMAL REMARK 1 TITL 4 GROWTH FACTOR REMARK 1 REF BIOCHEMISTRY V. 30 4896 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH D.KOHDA,N.GO,K.HAYASHI,F.INAGAKI REMARK 1 TITL TERTIARY STRUCTURE OF MOUSE EPIDERMAL GROWTH REMARK 1 TITL 2 FACTOR DETERMINED BY TWO-DIMENSIONAL 1H NMR REMARK 1 REF J.BIOCHEM.(TOKYO) V. 103 741 1988 REMARK 1 REFN ISSN 0021-924X REMARK 1 REFERENCE 4 REMARK 1 AUTH D.KOHDA,C.KODAMA,R.KASE,H.NOMOTO,K.HAYASHI, REMARK 1 AUTH 2 F.INAGAKI REMARK 1 TITL A COMPARATIVE 1H NMR STUDY OF MOUSE ALPHA(1-53) REMARK 1 TITL 2 AND BETA(2-53) EPIDERMAL GROWTH FACTORS REMARK 1 REF BIOCHEM.INT. V. 16 647 1988 REMARK 1 REFN ISSN 0158-5231 REMARK 1 REFERENCE 5 REMARK 1 AUTH D.KOHDA,F.INAGAKI REMARK 1 TITL COMPLETE SEQUENCE-SPECIFIC 1H NUCLEAR MAGNETIC REMARK 1 TITL 2 RESONANCE ASSIGNMENTS FOR MOUSE EPIDERMAL GROWTH REMARK 1 TITL 3 FACTOR REMARK 1 REF J.BIOCHEM.(TOKYO) V. 103 554 1988 REMARK 1 REFN ISSN 0021-924X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EPG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 HIS A 22 CG HIS A 22 ND1 -0.105 REMARK 500 TRP A 50 CG TRP A 50 CD2 -0.103 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 TRP A 49 CD1 - NE1 - CE2 ANGL. DEV. = 5.8 DEGREES REMARK 500 TRP A 49 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES REMARK 500 TRP A 50 CG - CD1 - NE1 ANGL. DEV. = -7.1 DEGREES REMARK 500 TRP A 50 CD1 - NE1 - CE2 ANGL. DEV. = 6.3 DEGREES REMARK 500 TRP A 50 NE1 - CE2 - CZ2 ANGL. DEV. = 7.3 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 SER A 2 -8.77 71.42 REMARK 500 TYR A 3 95.42 41.98 REMARK 500 PRO A 7 123.07 -37.81 REMARK 500 SER A 9 -19.33 -47.04 REMARK 500 TYR A 10 -76.55 -84.78 REMARK 500 ASP A 11 29.97 30.29 REMARK 500 ASN A 16 101.92 34.93 REMARK 500 SER A 25 -80.78 -44.57 REMARK 500 ASP A 27 17.76 50.56 REMARK 500 SER A 28 -167.34 -75.46 REMARK 500 CYS A 33 -146.93 -64.11 REMARK 500 VAL A 34 -163.20 -162.21 REMARK 500 ILE A 35 54.26 -68.05 REMARK 500 SER A 38 -160.53 -161.20 REMARK 500 ASP A 40 -93.42 -46.50 REMARK 500 CYS A 42 32.61 -171.93 REMARK 500 THR A 44 79.10 -103.57 REMARK 500 LEU A 47 73.03 -62.54 REMARK 500 ARG A 48 -93.67 -147.20 REMARK 500 TRP A 49 -88.09 -32.63 REMARK 500 TRP A 50 -18.25 -44.73 REMARK 500 GLU A 51 -90.45 47.81 REMARK 500 LEU A 52 127.18 172.61 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR A 37 0.09 SIDE_CHAIN REMARK 500 ARG A 41 0.32 SIDE_CHAIN REMARK 500 ARG A 48 0.31 SIDE_CHAIN REMARK 500 ARG A 53 0.21 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EPH RELATED DB: PDB DBREF 1EPG A 1 53 UNP P01132 EGF_MOUSE 977 1029 SEQRES 1 A 53 ASN SER TYR PRO GLY CYS PRO SER SER TYR ASP GLY TYR SEQRES 2 A 53 CYS LEU ASN GLY GLY VAL CYS MET HIS ILE GLU SER LEU SEQRES 3 A 53 ASP SER TYR THR CYS ASN CYS VAL ILE GLY TYR SER GLY SEQRES 4 A 53 ASP ARG CYS GLN THR ARG ASP LEU ARG TRP TRP GLU LEU SEQRES 5 A 53 ARG SHEET 1 SAB 3 SER A 2 PRO A 4 0 SHEET 2 SAB 3 VAL A 19 ILE A 23 -1 O HIS A 22 N TYR A 3 SHEET 3 SAB 3 SER A 28 ASN A 32 -1 O THR A 30 N MET A 21 SHEET 1 SC 2 TYR A 37 SER A 38 0 SHEET 2 SC 2 THR A 44 ARG A 45 -1 O THR A 44 N SER A 38 SSBOND *** CYS A 6 CYS A 20 1555 1555 2.02 SSBOND *** CYS A 14 CYS A 31 1555 1555 2.02 SSBOND *** CYS A 33 CYS A 42 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS : no HE2:sc= -3.75! C(o=-4!,f=-4.4!) USER MOD Set 1.2: A 29 TYR OH : rot 43:sc= -0.261 USER MOD Single : A 1 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.092) USER MOD Single : A 1 ASN N :NH3+ -165:sc= -0.144 (180deg=-0.703) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 130:sc= -1.34 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -3.93! C(o=-3.9!,f=-5.3!) USER MOD Single : A 21 MET CE :methyl 160:sc= -0.0723 (180deg=-0.637) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 37 TYR OH : rot 120:sc= -0.737! USER MOD Single : A 38 SER OG : rot 180:sc= -0.896! USER MOD Single : A 43 GLN :FLIP amide:sc= -2.76 F(o=-4.9!,f=-2.8) USER MOD Single : A 44 THR OG1 : rot 44:sc= -1.99! USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -3.667 3.994 1.004 1.00 2.60 N ATOM 2 CA ASN A 1 -4.566 3.366 2.005 1.00 1.44 C ATOM 3 C ASN A 1 -3.778 2.401 2.886 1.00 1.29 C ATOM 4 O ASN A 1 -2.706 2.723 3.359 1.00 1.92 O ATOM 5 CB ASN A 1 -5.674 2.581 1.290 1.00 2.31 C ATOM 6 CG ASN A 1 -6.397 3.507 0.310 1.00 3.00 C ATOM 7 OD1 ASN A 1 -7.433 4.064 0.615 1.00 3.46 O ATOM 8 ND2 ASN A 1 -5.886 3.699 -0.874 1.00 3.70 N ATOM 0 H1 ASN A 1 -4.138 4.820 0.584 1.00 2.60 H new ATOM 0 H2 ASN A 1 -2.787 4.296 1.469 1.00 2.60 H new ATOM 0 H3 ASN A 1 -3.445 3.306 0.257 1.00 2.60 H new ATOM 0 HA ASN A 1 -5.003 4.153 2.619 1.00 1.44 H new ATOM 0 HB2 ASN A 1 -5.248 1.731 0.758 1.00 2.31 H new ATOM 0 HB3 ASN A 1 -6.380 2.180 2.018 1.00 2.31 H new ATOM 0 HD21 ASN A 1 -6.356 4.314 -1.539 1.00 3.70 H new ATOM 0 HD22 ASN A 1 -5.017 3.234 -1.136 1.00 3.70 H new ATOM 17 N SER A 2 -4.324 1.233 3.090 1.00 0.77 N ATOM 18 CA SER A 2 -3.618 0.236 3.938 1.00 0.66 C ATOM 19 C SER A 2 -3.649 0.651 5.406 1.00 0.74 C ATOM 20 O SER A 2 -3.272 -0.110 6.275 1.00 0.99 O ATOM 21 CB SER A 2 -2.157 0.160 3.480 1.00 0.77 C ATOM 22 OG SER A 2 -1.825 -1.215 3.604 1.00 1.61 O ATOM 0 H SER A 2 -5.220 0.930 2.709 1.00 0.77 H new ATOM 0 HA SER A 2 -4.113 -0.730 3.837 1.00 0.66 H new ATOM 0 HB2 SER A 2 -2.043 0.506 2.453 1.00 0.77 H new ATOM 0 HB3 SER A 2 -1.512 0.783 4.100 1.00 0.77 H new ATOM 0 HG SER A 2 -0.895 -1.353 3.326 1.00 1.61 H new ATOM 28 N TYR A 3 -4.106 1.850 5.653 1.00 0.69 N ATOM 29 CA TYR A 3 -4.174 2.341 7.055 1.00 0.76 C ATOM 30 C TYR A 3 -2.906 1.953 7.846 1.00 0.66 C ATOM 31 O TYR A 3 -2.825 0.861 8.371 1.00 0.66 O ATOM 32 CB TYR A 3 -5.375 1.682 7.735 1.00 0.89 C ATOM 33 CG TYR A 3 -6.494 2.714 7.868 1.00 1.17 C ATOM 34 CD1 TYR A 3 -6.373 3.765 8.754 1.00 1.34 C ATOM 35 CD2 TYR A 3 -7.640 2.611 7.107 1.00 1.34 C ATOM 36 CE1 TYR A 3 -7.382 4.699 8.877 1.00 1.63 C ATOM 37 CE2 TYR A 3 -8.648 3.545 7.229 1.00 1.65 C ATOM 38 CZ TYR A 3 -8.527 4.597 8.116 1.00 1.78 C ATOM 39 OH TYR A 3 -9.535 5.531 8.237 1.00 2.12 O ATOM 0 H TYR A 3 -4.434 2.507 4.945 1.00 0.69 H new ATOM 0 HA TYR A 3 -4.262 3.427 7.040 1.00 0.76 H new ATOM 0 HB2 TYR A 3 -5.717 0.828 7.151 1.00 0.89 H new ATOM 0 HB3 TYR A 3 -5.092 1.304 8.717 1.00 0.89 H new ATOM 0 HD1 TYR A 3 -5.481 3.858 9.356 1.00 1.34 H new ATOM 0 HD2 TYR A 3 -7.749 1.793 6.410 1.00 1.34 H new ATOM 0 HE1 TYR A 3 -7.274 5.516 9.575 1.00 1.63 H new ATOM 0 HE2 TYR A 3 -9.539 3.453 6.626 1.00 1.65 H new ATOM 0 HH TYR A 3 -10.266 5.305 7.625 1.00 2.12 H new ATOM 49 N PRO A 4 -1.934 2.844 7.927 1.00 0.82 N ATOM 50 CA PRO A 4 -0.696 2.549 8.661 1.00 0.90 C ATOM 51 C PRO A 4 -0.980 2.356 10.148 1.00 0.85 C ATOM 52 O PRO A 4 -1.279 3.298 10.855 1.00 1.15 O ATOM 53 CB PRO A 4 0.194 3.785 8.454 1.00 1.19 C ATOM 54 CG PRO A 4 -0.579 4.770 7.543 1.00 1.32 C ATOM 55 CD PRO A 4 -1.982 4.188 7.320 1.00 1.08 C ATOM 0 HA PRO A 4 -0.226 1.632 8.306 1.00 0.90 H new ATOM 0 HB2 PRO A 4 0.429 4.252 9.410 1.00 1.19 H new ATOM 0 HB3 PRO A 4 1.142 3.502 7.995 1.00 1.19 H new ATOM 0 HG2 PRO A 4 -0.642 5.754 8.008 1.00 1.32 H new ATOM 0 HG3 PRO A 4 -0.062 4.899 6.592 1.00 1.32 H new ATOM 0 HD2 PRO A 4 -2.746 4.807 7.790 1.00 1.08 H new ATOM 0 HD3 PRO A 4 -2.224 4.134 6.258 1.00 1.08 H new ATOM 63 N GLY A 5 -0.878 1.132 10.587 1.00 0.67 N ATOM 64 CA GLY A 5 -1.137 0.834 12.024 1.00 0.74 C ATOM 65 C GLY A 5 -1.986 -0.433 12.140 1.00 0.58 C ATOM 66 O GLY A 5 -1.996 -1.254 11.245 1.00 0.57 O ATOM 0 H GLY A 5 -0.627 0.326 10.014 1.00 0.67 H new ATOM 0 HA2 GLY A 5 -0.194 0.702 12.554 1.00 0.74 H new ATOM 0 HA3 GLY A 5 -1.651 1.673 12.493 1.00 0.74 H new ATOM 70 N CYS A 6 -2.682 -0.571 13.235 1.00 0.54 N ATOM 71 CA CYS A 6 -3.519 -1.768 13.405 1.00 0.43 C ATOM 72 C CYS A 6 -4.589 -1.539 14.488 1.00 0.45 C ATOM 73 O CYS A 6 -4.378 -0.780 15.414 1.00 0.51 O ATOM 74 CB CYS A 6 -2.603 -2.891 13.888 1.00 0.48 C ATOM 75 SG CYS A 6 -1.326 -2.446 15.090 1.00 1.11 S ATOM 0 H CYS A 6 -2.701 0.094 14.008 1.00 0.54 H new ATOM 0 HA CYS A 6 -4.013 -2.005 12.463 1.00 0.43 H new ATOM 0 HB2 CYS A 6 -3.225 -3.671 14.327 1.00 0.48 H new ATOM 0 HB3 CYS A 6 -2.112 -3.327 13.018 1.00 0.48 H new ATOM 80 N PRO A 7 -5.721 -2.197 14.354 1.00 0.51 N ATOM 81 CA PRO A 7 -6.820 -2.074 15.317 1.00 0.65 C ATOM 82 C PRO A 7 -6.296 -1.964 16.751 1.00 0.62 C ATOM 83 O PRO A 7 -5.577 -2.821 17.218 1.00 0.54 O ATOM 84 CB PRO A 7 -7.604 -3.386 15.105 1.00 0.75 C ATOM 85 CG PRO A 7 -7.240 -3.896 13.686 1.00 0.68 C ATOM 86 CD PRO A 7 -6.009 -3.104 13.235 1.00 0.53 C ATOM 0 HA PRO A 7 -7.425 -1.180 15.169 1.00 0.65 H new ATOM 0 HB2 PRO A 7 -7.337 -4.123 15.862 1.00 0.75 H new ATOM 0 HB3 PRO A 7 -8.677 -3.214 15.192 1.00 0.75 H new ATOM 0 HG2 PRO A 7 -7.028 -4.965 13.702 1.00 0.68 H new ATOM 0 HG3 PRO A 7 -8.071 -3.746 12.996 1.00 0.68 H new ATOM 0 HD2 PRO A 7 -5.165 -3.764 13.033 1.00 0.53 H new ATOM 0 HD3 PRO A 7 -6.208 -2.551 12.317 1.00 0.53 H new ATOM 94 N SER A 8 -6.666 -0.903 17.424 1.00 0.95 N ATOM 95 CA SER A 8 -6.192 -0.729 18.825 1.00 0.99 C ATOM 96 C SER A 8 -6.376 -2.002 19.638 1.00 0.93 C ATOM 97 O SER A 8 -5.671 -2.219 20.604 1.00 0.91 O ATOM 98 CB SER A 8 -6.988 0.392 19.492 1.00 1.37 C ATOM 99 OG SER A 8 -6.933 1.463 18.560 1.00 2.08 O ATOM 0 H SER A 8 -7.268 -0.161 17.067 1.00 0.95 H new ATOM 0 HA SER A 8 -5.130 -0.486 18.792 1.00 0.99 H new ATOM 0 HB2 SER A 8 -8.016 0.088 19.688 1.00 1.37 H new ATOM 0 HB3 SER A 8 -6.551 0.675 20.450 1.00 1.37 H new ATOM 0 HG SER A 8 -7.427 2.231 18.915 1.00 2.08 H new ATOM 105 N SER A 9 -7.320 -2.820 19.249 1.00 1.01 N ATOM 106 CA SER A 9 -7.534 -4.078 20.014 1.00 1.14 C ATOM 107 C SER A 9 -6.186 -4.748 20.252 1.00 0.97 C ATOM 108 O SER A 9 -6.033 -5.581 21.123 1.00 1.10 O ATOM 109 CB SER A 9 -8.420 -5.013 19.180 1.00 1.28 C ATOM 110 OG SER A 9 -9.614 -5.127 19.941 1.00 1.93 O ATOM 0 H SER A 9 -7.939 -2.674 18.451 1.00 1.01 H new ATOM 0 HA SER A 9 -8.012 -3.862 20.970 1.00 1.14 H new ATOM 0 HB2 SER A 9 -8.616 -4.600 18.191 1.00 1.28 H new ATOM 0 HB3 SER A 9 -7.947 -5.984 19.032 1.00 1.28 H new ATOM 0 HG SER A 9 -10.245 -5.714 19.474 1.00 1.93 H new ATOM 116 N TYR A 10 -5.236 -4.353 19.452 1.00 0.75 N ATOM 117 CA TYR A 10 -3.878 -4.906 19.560 1.00 0.70 C ATOM 118 C TYR A 10 -3.079 -4.151 20.618 1.00 0.73 C ATOM 119 O TYR A 10 -2.908 -4.620 21.725 1.00 1.11 O ATOM 120 CB TYR A 10 -3.192 -4.705 18.207 1.00 0.66 C ATOM 121 CG TYR A 10 -3.601 -5.823 17.258 1.00 0.67 C ATOM 122 CD1 TYR A 10 -3.187 -7.109 17.492 1.00 0.92 C ATOM 123 CD2 TYR A 10 -4.334 -5.549 16.126 1.00 0.55 C ATOM 124 CE1 TYR A 10 -3.475 -8.112 16.608 1.00 0.91 C ATOM 125 CE2 TYR A 10 -4.639 -6.551 15.237 1.00 0.61 C ATOM 126 CZ TYR A 10 -4.212 -7.848 15.470 1.00 0.70 C ATOM 127 OH TYR A 10 -4.528 -8.861 14.593 1.00 0.77 O ATOM 0 H TYR A 10 -5.356 -3.656 18.717 1.00 0.75 H new ATOM 0 HA TYR A 10 -3.929 -5.959 19.838 1.00 0.70 H new ATOM 0 HB2 TYR A 10 -3.469 -3.738 17.787 1.00 0.66 H new ATOM 0 HB3 TYR A 10 -2.109 -4.699 18.334 1.00 0.66 H new ATOM 0 HD1 TYR A 10 -2.626 -7.333 18.387 1.00 0.92 H new ATOM 0 HD2 TYR A 10 -4.671 -4.541 15.935 1.00 0.55 H new ATOM 0 HE1 TYR A 10 -3.125 -9.115 16.801 1.00 0.91 H new ATOM 0 HE2 TYR A 10 -5.215 -6.326 14.351 1.00 0.61 H new ATOM 0 HH TYR A 10 -5.488 -8.838 14.399 1.00 0.77 H new ATOM 137 N ASP A 11 -2.643 -2.974 20.242 1.00 0.72 N ATOM 138 CA ASP A 11 -1.852 -2.119 21.155 1.00 0.89 C ATOM 139 C ASP A 11 -1.008 -2.915 22.154 1.00 0.83 C ATOM 140 O ASP A 11 -0.750 -2.458 23.250 1.00 0.91 O ATOM 141 CB ASP A 11 -2.865 -1.276 21.901 1.00 1.09 C ATOM 142 CG ASP A 11 -2.225 0.048 22.329 1.00 1.47 C ATOM 143 OD1 ASP A 11 -1.153 -0.031 22.905 1.00 1.95 O ATOM 144 OD2 ASP A 11 -2.846 1.062 22.055 1.00 1.70 O ATOM 0 H ASP A 11 -2.810 -2.570 19.321 1.00 0.72 H new ATOM 0 HA ASP A 11 -1.140 -1.528 20.578 1.00 0.89 H new ATOM 0 HB2 ASP A 11 -3.730 -1.084 21.266 1.00 1.09 H new ATOM 0 HB3 ASP A 11 -3.226 -1.815 22.777 1.00 1.09 H new ATOM 149 N GLY A 12 -0.592 -4.086 21.761 1.00 0.83 N ATOM 150 CA GLY A 12 0.239 -4.910 22.692 1.00 0.99 C ATOM 151 C GLY A 12 0.336 -6.370 22.227 1.00 1.02 C ATOM 152 O GLY A 12 0.143 -7.278 23.013 1.00 1.63 O ATOM 0 H GLY A 12 -0.785 -4.506 20.852 1.00 0.83 H new ATOM 0 HA2 GLY A 12 1.240 -4.483 22.761 1.00 0.99 H new ATOM 0 HA3 GLY A 12 -0.192 -4.875 23.692 1.00 0.99 H new ATOM 156 N TYR A 13 0.630 -6.566 20.965 1.00 0.98 N ATOM 157 CA TYR A 13 0.745 -7.947 20.432 1.00 0.90 C ATOM 158 C TYR A 13 2.078 -8.111 19.720 1.00 0.82 C ATOM 159 O TYR A 13 2.759 -9.080 19.925 1.00 1.18 O ATOM 160 CB TYR A 13 -0.433 -8.107 19.464 1.00 1.10 C ATOM 161 CG TYR A 13 -0.102 -8.934 18.215 1.00 0.89 C ATOM 162 CD1 TYR A 13 0.213 -10.281 18.293 1.00 1.09 C ATOM 163 CD2 TYR A 13 -0.255 -8.361 16.971 1.00 1.28 C ATOM 164 CE1 TYR A 13 0.360 -11.034 17.147 1.00 0.93 C ATOM 165 CE2 TYR A 13 -0.116 -9.121 15.823 1.00 1.47 C ATOM 166 CZ TYR A 13 0.197 -10.461 15.904 1.00 1.11 C ATOM 167 OH TYR A 13 0.348 -11.215 14.760 1.00 1.37 O ATOM 0 H TYR A 13 0.794 -5.824 20.285 1.00 0.98 H new ATOM 0 HA TYR A 13 0.712 -8.705 21.214 1.00 0.90 H new ATOM 0 HB2 TYR A 13 -1.262 -8.579 19.991 1.00 1.10 H new ATOM 0 HB3 TYR A 13 -0.773 -7.119 19.154 1.00 1.10 H new ATOM 0 HD1 TYR A 13 0.345 -10.745 19.259 1.00 1.09 H new ATOM 0 HD2 TYR A 13 -0.486 -7.309 16.891 1.00 1.28 H new ATOM 0 HE1 TYR A 13 0.605 -12.083 17.224 1.00 0.93 H new ATOM 0 HE2 TYR A 13 -0.254 -8.661 14.856 1.00 1.47 H new ATOM 0 HH TYR A 13 0.196 -10.650 13.974 1.00 1.37 H new ATOM 177 N CYS A 14 2.477 -7.130 18.967 1.00 0.64 N ATOM 178 CA CYS A 14 3.776 -7.270 18.262 1.00 0.51 C ATOM 179 C CYS A 14 4.941 -7.225 19.248 1.00 0.42 C ATOM 180 O CYS A 14 5.100 -6.283 20.000 1.00 0.46 O ATOM 181 CB CYS A 14 3.926 -6.111 17.269 1.00 0.67 C ATOM 182 SG CYS A 14 3.882 -6.513 15.508 1.00 0.98 S ATOM 0 H CYS A 14 1.974 -6.256 18.811 1.00 0.64 H new ATOM 0 HA CYS A 14 3.791 -8.230 17.746 1.00 0.51 H new ATOM 0 HB2 CYS A 14 3.133 -5.391 17.470 1.00 0.67 H new ATOM 0 HB3 CYS A 14 4.872 -5.610 17.477 1.00 0.67 H new ATOM 187 N LEU A 15 5.728 -8.263 19.213 1.00 0.42 N ATOM 188 CA LEU A 15 6.894 -8.365 20.107 1.00 0.41 C ATOM 189 C LEU A 15 8.197 -7.953 19.451 1.00 0.44 C ATOM 190 O LEU A 15 8.371 -8.061 18.258 1.00 0.62 O ATOM 191 CB LEU A 15 6.995 -9.836 20.484 1.00 0.53 C ATOM 192 CG LEU A 15 6.563 -9.997 21.933 1.00 0.63 C ATOM 193 CD1 LEU A 15 5.169 -9.381 22.134 1.00 1.52 C ATOM 194 CD2 LEU A 15 6.546 -11.485 22.289 1.00 1.51 C ATOM 0 H LEU A 15 5.602 -9.057 18.586 1.00 0.42 H new ATOM 0 HA LEU A 15 6.750 -7.695 20.955 1.00 0.41 H new ATOM 0 HB2 LEU A 15 6.362 -10.438 19.832 1.00 0.53 H new ATOM 0 HB3 LEU A 15 8.017 -10.191 20.352 1.00 0.53 H new ATOM 0 HG LEU A 15 7.266 -9.480 22.587 1.00 0.63 H new ATOM 0 HD11 LEU A 15 4.865 -9.500 23.174 1.00 1.52 H new ATOM 0 HD12 LEU A 15 5.200 -8.321 21.884 1.00 1.52 H new ATOM 0 HD13 LEU A 15 4.452 -9.885 21.487 1.00 1.52 H new ATOM 0 HD21 LEU A 15 6.237 -11.607 23.327 1.00 1.51 H new ATOM 0 HD22 LEU A 15 5.845 -12.007 21.638 1.00 1.51 H new ATOM 0 HD23 LEU A 15 7.544 -11.902 22.156 1.00 1.51 H new ATOM 206 N ASN A 16 9.071 -7.452 20.270 1.00 0.39 N ATOM 207 CA ASN A 16 10.401 -7.012 19.773 1.00 0.41 C ATOM 208 C ASN A 16 10.372 -6.409 18.367 1.00 0.64 C ATOM 209 O ASN A 16 10.326 -7.119 17.383 1.00 0.77 O ATOM 210 CB ASN A 16 11.233 -8.271 19.765 1.00 0.46 C ATOM 211 CG ASN A 16 10.811 -9.111 20.966 1.00 0.53 C ATOM 212 OD1 ASN A 16 10.351 -8.597 21.967 1.00 0.81 O ATOM 213 ND2 ASN A 16 10.949 -10.397 20.914 1.00 0.50 N ATOM 0 H ASN A 16 8.922 -7.327 21.271 1.00 0.39 H new ATOM 0 HA ASN A 16 10.792 -6.218 20.409 1.00 0.41 H new ATOM 0 HB2 ASN A 16 11.081 -8.824 18.838 1.00 0.46 H new ATOM 0 HB3 ASN A 16 12.294 -8.029 19.821 1.00 0.46 H new ATOM 0 HD21 ASN A 16 10.672 -10.972 21.710 1.00 0.50 H new ATOM 0 HD22 ASN A 16 11.334 -10.835 20.077 1.00 0.50 H new ATOM 220 N GLY A 17 10.425 -5.101 18.314 1.00 0.82 N ATOM 221 CA GLY A 17 10.404 -4.401 16.994 1.00 1.08 C ATOM 222 C GLY A 17 9.460 -5.095 16.014 1.00 0.97 C ATOM 223 O GLY A 17 9.818 -5.356 14.883 1.00 1.34 O ATOM 0 H GLY A 17 10.482 -4.489 19.128 1.00 0.82 H new ATOM 0 HA2 GLY A 17 10.091 -3.366 17.133 1.00 1.08 H new ATOM 0 HA3 GLY A 17 11.411 -4.376 16.577 1.00 1.08 H new ATOM 227 N GLY A 18 8.273 -5.380 16.468 1.00 0.74 N ATOM 228 CA GLY A 18 7.296 -6.056 15.573 1.00 0.85 C ATOM 229 C GLY A 18 6.390 -5.025 14.900 1.00 0.79 C ATOM 230 O GLY A 18 5.560 -4.412 15.542 1.00 0.84 O ATOM 0 H GLY A 18 7.939 -5.177 17.410 1.00 0.74 H new ATOM 0 HA2 GLY A 18 7.826 -6.634 14.816 1.00 0.85 H new ATOM 0 HA3 GLY A 18 6.693 -6.760 16.147 1.00 0.85 H new ATOM 234 N VAL A 19 6.573 -4.845 13.621 1.00 0.78 N ATOM 235 CA VAL A 19 5.731 -3.866 12.903 1.00 0.82 C ATOM 236 C VAL A 19 4.362 -4.467 12.610 1.00 0.69 C ATOM 237 O VAL A 19 4.251 -5.454 11.913 1.00 0.72 O ATOM 238 CB VAL A 19 6.409 -3.510 11.577 1.00 1.07 C ATOM 239 CG1 VAL A 19 5.992 -2.098 11.160 1.00 1.27 C ATOM 240 CG2 VAL A 19 7.928 -3.555 11.757 1.00 1.11 C ATOM 0 H VAL A 19 7.265 -5.332 13.052 1.00 0.78 H new ATOM 0 HA VAL A 19 5.608 -2.976 13.521 1.00 0.82 H new ATOM 0 HB VAL A 19 6.110 -4.223 10.809 1.00 1.07 H new ATOM 0 HG11 VAL A 19 6.473 -1.840 10.216 1.00 1.27 H new ATOM 0 HG12 VAL A 19 4.909 -2.059 11.038 1.00 1.27 H new ATOM 0 HG13 VAL A 19 6.296 -1.387 11.928 1.00 1.27 H new ATOM 0 HG21 VAL A 19 8.414 -3.302 10.815 1.00 1.11 H new ATOM 0 HG22 VAL A 19 8.225 -2.838 12.522 1.00 1.11 H new ATOM 0 HG23 VAL A 19 8.229 -4.557 12.063 1.00 1.11 H new ATOM 250 N CYS A 20 3.345 -3.858 13.145 1.00 0.63 N ATOM 251 CA CYS A 20 1.977 -4.384 12.907 1.00 0.57 C ATOM 252 C CYS A 20 1.401 -3.857 11.596 1.00 0.56 C ATOM 253 O CYS A 20 1.178 -2.672 11.443 1.00 0.68 O ATOM 254 CB CYS A 20 1.081 -3.941 14.067 1.00 0.58 C ATOM 255 SG CYS A 20 0.355 -2.286 13.984 1.00 0.80 S ATOM 0 H CYS A 20 3.400 -3.026 13.732 1.00 0.63 H new ATOM 0 HA CYS A 20 2.022 -5.471 12.843 1.00 0.57 H new ATOM 0 HB2 CYS A 20 0.267 -4.660 14.156 1.00 0.58 H new ATOM 0 HB3 CYS A 20 1.665 -4.006 14.985 1.00 0.58 H new ATOM 260 N MET A 21 1.176 -4.754 10.671 1.00 0.56 N ATOM 261 CA MET A 21 0.616 -4.333 9.362 1.00 0.57 C ATOM 262 C MET A 21 -0.883 -4.567 9.313 1.00 0.47 C ATOM 263 O MET A 21 -1.416 -5.411 10.014 1.00 0.48 O ATOM 264 CB MET A 21 1.261 -5.168 8.250 1.00 0.75 C ATOM 265 CG MET A 21 2.715 -4.750 8.081 1.00 1.09 C ATOM 266 SD MET A 21 3.621 -5.427 6.667 1.00 2.02 S ATOM 267 CE MET A 21 2.631 -4.654 5.362 1.00 1.70 C ATOM 0 H MET A 21 1.356 -5.753 10.769 1.00 0.56 H new ATOM 0 HA MET A 21 0.821 -3.271 9.228 1.00 0.57 H new ATOM 0 HB2 MET A 21 1.202 -6.228 8.496 1.00 0.75 H new ATOM 0 HB3 MET A 21 0.720 -5.027 7.314 1.00 0.75 H new ATOM 0 HG2 MET A 21 2.746 -3.663 8.011 1.00 1.09 H new ATOM 0 HG3 MET A 21 3.252 -5.027 8.988 1.00 1.09 H new ATOM 0 HE1 MET A 21 3.202 -4.638 4.434 1.00 1.70 H new ATOM 0 HE2 MET A 21 1.714 -5.225 5.214 1.00 1.70 H new ATOM 0 HE3 MET A 21 2.380 -3.634 5.652 1.00 1.70 H new ATOM 277 N HIS A 22 -1.526 -3.821 8.466 1.00 0.47 N ATOM 278 CA HIS A 22 -2.996 -3.959 8.328 1.00 0.43 C ATOM 279 C HIS A 22 -3.433 -3.743 6.883 1.00 0.50 C ATOM 280 O HIS A 22 -3.631 -2.623 6.456 1.00 0.67 O ATOM 281 CB HIS A 22 -3.666 -2.888 9.188 1.00 0.46 C ATOM 282 CG HIS A 22 -5.159 -2.887 8.884 1.00 0.52 C ATOM 283 ND1 HIS A 22 -5.968 -1.977 9.223 1.00 0.59 N ATOM 284 CD2 HIS A 22 -5.941 -3.851 8.271 1.00 0.54 C ATOM 285 CE1 HIS A 22 -7.159 -2.287 8.886 1.00 0.64 C ATOM 286 NE2 HIS A 22 -7.222 -3.458 8.275 1.00 0.63 N ATOM 0 H HIS A 22 -1.096 -3.120 7.862 1.00 0.47 H new ATOM 0 HA HIS A 22 -3.282 -4.963 8.641 1.00 0.43 H new ATOM 0 HB2 HIS A 22 -3.495 -3.090 10.245 1.00 0.46 H new ATOM 0 HB3 HIS A 22 -3.236 -1.909 8.977 1.00 0.46 H new ATOM 0 HD1 HIS A 22 -5.705 -1.114 9.700 1.00 0.59 H new ATOM 0 HD2 HIS A 22 -5.575 -4.777 7.854 1.00 0.54 H new ATOM 0 HE1 HIS A 22 -8.019 -1.663 9.078 1.00 0.64 H new ATOM 294 N ILE A 23 -3.579 -4.815 6.156 1.00 0.54 N ATOM 295 CA ILE A 23 -4.003 -4.673 4.748 1.00 0.63 C ATOM 296 C ILE A 23 -5.499 -4.377 4.691 1.00 0.63 C ATOM 297 O ILE A 23 -6.316 -5.242 4.934 1.00 0.72 O ATOM 298 CB ILE A 23 -3.730 -5.978 3.989 1.00 0.77 C ATOM 299 CG1 ILE A 23 -2.727 -6.853 4.744 1.00 0.82 C ATOM 300 CG2 ILE A 23 -3.124 -5.622 2.625 1.00 0.98 C ATOM 301 CD1 ILE A 23 -3.451 -7.625 5.852 1.00 1.67 C ATOM 0 H ILE A 23 -3.424 -5.771 6.477 1.00 0.54 H new ATOM 0 HA ILE A 23 -3.444 -3.856 4.291 1.00 0.63 H new ATOM 0 HB ILE A 23 -4.666 -6.526 3.883 1.00 0.77 H new ATOM 0 HG12 ILE A 23 -2.246 -7.549 4.056 1.00 0.82 H new ATOM 0 HG13 ILE A 23 -1.939 -6.234 5.173 1.00 0.82 H new ATOM 0 HG21 ILE A 23 -2.921 -6.536 2.067 1.00 0.98 H new ATOM 0 HG22 ILE A 23 -3.826 -5.003 2.065 1.00 0.98 H new ATOM 0 HG23 ILE A 23 -2.194 -5.073 2.772 1.00 0.98 H new ATOM 0 HD11 ILE A 23 -2.735 -8.248 6.389 1.00 1.67 H new ATOM 0 HD12 ILE A 23 -3.911 -6.921 6.545 1.00 1.67 H new ATOM 0 HD13 ILE A 23 -4.222 -8.256 5.411 1.00 1.67 H new ATOM 313 N GLU A 24 -5.829 -3.158 4.372 1.00 0.68 N ATOM 314 CA GLU A 24 -7.266 -2.789 4.297 1.00 0.76 C ATOM 315 C GLU A 24 -8.043 -3.783 3.444 1.00 0.86 C ATOM 316 O GLU A 24 -9.185 -4.083 3.728 1.00 1.41 O ATOM 317 CB GLU A 24 -7.386 -1.396 3.672 1.00 0.82 C ATOM 318 CG GLU A 24 -8.135 -0.481 4.642 1.00 0.99 C ATOM 319 CD GLU A 24 -8.316 0.896 4.002 1.00 1.40 C ATOM 320 OE1 GLU A 24 -7.368 1.661 4.086 1.00 1.88 O ATOM 321 OE2 GLU A 24 -9.390 1.106 3.464 1.00 1.83 O ATOM 0 H GLU A 24 -5.171 -2.407 4.162 1.00 0.68 H new ATOM 0 HA GLU A 24 -7.682 -2.798 5.305 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -6.396 -0.991 3.460 1.00 0.82 H new ATOM 0 HB3 GLU A 24 -7.917 -1.454 2.722 1.00 0.82 H new ATOM 0 HG2 GLU A 24 -9.106 -0.910 4.888 1.00 0.99 H new ATOM 0 HG3 GLU A 24 -7.580 -0.390 5.576 1.00 0.99 H new ATOM 328 N SER A 25 -7.412 -4.272 2.410 1.00 1.10 N ATOM 329 CA SER A 25 -8.107 -5.247 1.535 1.00 1.24 C ATOM 330 C SER A 25 -8.840 -6.285 2.379 1.00 1.16 C ATOM 331 O SER A 25 -10.032 -6.189 2.591 1.00 1.20 O ATOM 332 CB SER A 25 -7.059 -5.960 0.673 1.00 1.37 C ATOM 333 OG SER A 25 -7.167 -5.333 -0.596 1.00 1.88 O ATOM 0 H SER A 25 -6.457 -4.039 2.139 1.00 1.10 H new ATOM 0 HA SER A 25 -8.830 -4.722 0.910 1.00 1.24 H new ATOM 0 HB2 SER A 25 -6.058 -5.847 1.089 1.00 1.37 H new ATOM 0 HB3 SER A 25 -7.258 -7.030 0.607 1.00 1.37 H new ATOM 0 HG SER A 25 -6.521 -5.734 -1.215 1.00 1.88 H new ATOM 339 N LEU A 26 -8.108 -7.258 2.847 1.00 1.13 N ATOM 340 CA LEU A 26 -8.731 -8.303 3.672 1.00 1.09 C ATOM 341 C LEU A 26 -8.940 -7.820 5.107 1.00 0.95 C ATOM 342 O LEU A 26 -9.401 -8.562 5.951 1.00 0.97 O ATOM 343 CB LEU A 26 -7.804 -9.524 3.691 1.00 1.18 C ATOM 344 CG LEU A 26 -7.628 -10.046 2.264 1.00 1.47 C ATOM 345 CD1 LEU A 26 -6.190 -9.789 1.808 1.00 1.98 C ATOM 346 CD2 LEU A 26 -7.902 -11.551 2.240 1.00 1.74 C ATOM 0 H LEU A 26 -7.106 -7.365 2.688 1.00 1.13 H new ATOM 0 HA LEU A 26 -9.703 -8.554 3.247 1.00 1.09 H new ATOM 0 HB2 LEU A 26 -6.836 -9.254 4.114 1.00 1.18 H new ATOM 0 HB3 LEU A 26 -8.223 -10.304 4.327 1.00 1.18 H new ATOM 0 HG LEU A 26 -8.323 -9.535 1.597 1.00 1.47 H new ATOM 0 HD11 LEU A 26 -6.059 -10.159 0.791 1.00 1.98 H new ATOM 0 HD12 LEU A 26 -5.986 -8.719 1.833 1.00 1.98 H new ATOM 0 HD13 LEU A 26 -5.499 -10.306 2.474 1.00 1.98 H new ATOM 0 HD21 LEU A 26 -7.778 -11.927 1.225 1.00 1.74 H new ATOM 0 HD22 LEU A 26 -7.202 -12.059 2.903 1.00 1.74 H new ATOM 0 HD23 LEU A 26 -8.922 -11.741 2.575 1.00 1.74 H new ATOM 358 N ASP A 27 -8.594 -6.584 5.361 1.00 0.92 N ATOM 359 CA ASP A 27 -8.770 -6.052 6.738 1.00 0.84 C ATOM 360 C ASP A 27 -8.147 -7.007 7.753 1.00 0.77 C ATOM 361 O ASP A 27 -8.440 -6.946 8.931 1.00 0.78 O ATOM 362 CB ASP A 27 -10.273 -5.941 7.022 1.00 0.98 C ATOM 363 CG ASP A 27 -10.649 -4.467 7.187 1.00 1.58 C ATOM 364 OD1 ASP A 27 -10.198 -3.696 6.355 1.00 1.74 O ATOM 365 OD2 ASP A 27 -11.365 -4.194 8.136 1.00 2.36 O ATOM 0 H ASP A 27 -8.203 -5.931 4.682 1.00 0.92 H new ATOM 0 HA ASP A 27 -8.286 -5.079 6.819 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -10.843 -6.384 6.205 1.00 0.98 H new ATOM 0 HB3 ASP A 27 -10.526 -6.496 7.925 1.00 0.98 H new ATOM 370 N SER A 28 -7.294 -7.872 7.273 1.00 0.80 N ATOM 371 CA SER A 28 -6.642 -8.836 8.185 1.00 0.80 C ATOM 372 C SER A 28 -5.556 -8.156 9.007 1.00 0.63 C ATOM 373 O SER A 28 -5.465 -6.945 9.031 1.00 0.56 O ATOM 374 CB SER A 28 -6.004 -9.947 7.342 1.00 0.96 C ATOM 375 OG SER A 28 -6.454 -11.148 7.952 1.00 1.38 O ATOM 0 H SER A 28 -7.026 -7.947 6.292 1.00 0.80 H new ATOM 0 HA SER A 28 -7.390 -9.243 8.866 1.00 0.80 H new ATOM 0 HB2 SER A 28 -6.319 -9.887 6.300 1.00 0.96 H new ATOM 0 HB3 SER A 28 -4.916 -9.879 7.351 1.00 0.96 H new ATOM 0 HG SER A 28 -6.089 -11.918 7.468 1.00 1.38 H new ATOM 381 N TYR A 29 -4.742 -8.944 9.657 1.00 0.63 N ATOM 382 CA TYR A 29 -3.661 -8.343 10.481 1.00 0.54 C ATOM 383 C TYR A 29 -2.447 -9.248 10.565 1.00 0.58 C ATOM 384 O TYR A 29 -2.561 -10.456 10.495 1.00 0.71 O ATOM 385 CB TYR A 29 -4.223 -8.146 11.886 1.00 0.62 C ATOM 386 CG TYR A 29 -5.427 -7.237 11.755 1.00 0.63 C ATOM 387 CD1 TYR A 29 -5.249 -5.921 11.414 1.00 0.55 C ATOM 388 CD2 TYR A 29 -6.707 -7.741 11.852 1.00 0.76 C ATOM 389 CE1 TYR A 29 -6.328 -5.120 11.154 1.00 0.59 C ATOM 390 CE2 TYR A 29 -7.794 -6.936 11.595 1.00 0.79 C ATOM 391 CZ TYR A 29 -7.613 -5.614 11.244 1.00 0.69 C ATOM 392 OH TYR A 29 -8.698 -4.800 10.988 1.00 0.76 O ATOM 0 H TYR A 29 -4.779 -9.963 9.652 1.00 0.63 H new ATOM 0 HA TYR A 29 -3.343 -7.404 10.027 1.00 0.54 H new ATOM 0 HB2 TYR A 29 -4.507 -9.102 12.326 1.00 0.62 H new ATOM 0 HB3 TYR A 29 -3.474 -7.703 12.543 1.00 0.62 H new ATOM 0 HD1 TYR A 29 -4.251 -5.514 11.350 1.00 0.55 H new ATOM 0 HD2 TYR A 29 -6.858 -8.773 12.131 1.00 0.76 H new ATOM 0 HE1 TYR A 29 -6.172 -4.088 10.875 1.00 0.59 H new ATOM 0 HE2 TYR A 29 -8.792 -7.341 11.668 1.00 0.79 H new ATOM 0 HH TYR A 29 -8.514 -4.248 10.199 1.00 0.76 H new ATOM 402 N THR A 30 -1.301 -8.647 10.714 1.00 0.51 N ATOM 403 CA THR A 30 -0.075 -9.471 10.803 1.00 0.58 C ATOM 404 C THR A 30 1.106 -8.662 11.305 1.00 0.63 C ATOM 405 O THR A 30 1.267 -7.502 10.982 1.00 0.98 O ATOM 406 CB THR A 30 0.254 -10.020 9.413 1.00 0.63 C ATOM 407 OG1 THR A 30 1.435 -10.785 9.583 1.00 0.78 O ATOM 408 CG2 THR A 30 0.662 -8.892 8.457 1.00 0.72 C ATOM 0 H THR A 30 -1.165 -7.638 10.777 1.00 0.51 H new ATOM 0 HA THR A 30 -0.258 -10.281 11.509 1.00 0.58 H new ATOM 0 HB THR A 30 -0.607 -10.560 9.019 1.00 0.63 H new ATOM 0 HG1 THR A 30 1.702 -11.170 8.722 1.00 0.78 H new ATOM 0 HG21 THR A 30 0.890 -9.311 7.477 1.00 0.72 H new ATOM 0 HG22 THR A 30 -0.157 -8.179 8.365 1.00 0.72 H new ATOM 0 HG23 THR A 30 1.543 -8.384 8.849 1.00 0.72 H new ATOM 416 N CYS A 31 1.904 -9.308 12.092 1.00 0.63 N ATOM 417 CA CYS A 31 3.101 -8.639 12.656 1.00 0.71 C ATOM 418 C CYS A 31 4.357 -9.004 11.873 1.00 0.86 C ATOM 419 O CYS A 31 4.773 -10.146 11.857 1.00 1.45 O ATOM 420 CB CYS A 31 3.268 -9.108 14.101 1.00 0.92 C ATOM 421 SG CYS A 31 2.578 -8.046 15.388 1.00 1.36 S ATOM 0 H CYS A 31 1.780 -10.281 12.373 1.00 0.63 H new ATOM 0 HA CYS A 31 2.965 -7.559 12.600 1.00 0.71 H new ATOM 0 HB2 CYS A 31 2.811 -10.093 14.193 1.00 0.92 H new ATOM 0 HB3 CYS A 31 4.333 -9.231 14.297 1.00 0.92 H new ATOM 426 N ASN A 32 4.937 -8.026 11.238 1.00 0.81 N ATOM 427 CA ASN A 32 6.166 -8.290 10.451 1.00 1.02 C ATOM 428 C ASN A 32 7.410 -8.015 11.291 1.00 0.93 C ATOM 429 O ASN A 32 7.789 -6.877 11.490 1.00 1.07 O ATOM 430 CB ASN A 32 6.173 -7.355 9.236 1.00 1.28 C ATOM 431 CG ASN A 32 7.455 -7.576 8.432 1.00 1.74 C ATOM 432 OD1 ASN A 32 8.451 -6.910 8.634 1.00 2.39 O ATOM 433 ND2 ASN A 32 7.472 -8.501 7.511 1.00 2.11 N ATOM 0 H ASN A 32 4.613 -7.059 11.231 1.00 0.81 H new ATOM 0 HA ASN A 32 6.176 -9.335 10.140 1.00 1.02 H new ATOM 0 HB2 ASN A 32 5.301 -7.547 8.611 1.00 1.28 H new ATOM 0 HB3 ASN A 32 6.109 -6.317 9.562 1.00 1.28 H new ATOM 0 HD21 ASN A 32 8.319 -8.662 6.965 1.00 2.11 H new ATOM 0 HD22 ASN A 32 6.639 -9.063 7.337 1.00 2.11 H new ATOM 440 N CYS A 33 8.015 -9.063 11.778 1.00 0.77 N ATOM 441 CA CYS A 33 9.232 -8.880 12.607 1.00 0.67 C ATOM 442 C CYS A 33 10.353 -8.266 11.778 1.00 0.71 C ATOM 443 O CYS A 33 10.096 -7.480 10.887 1.00 0.84 O ATOM 444 CB CYS A 33 9.661 -10.254 13.123 1.00 0.60 C ATOM 445 SG CYS A 33 8.330 -11.390 13.545 1.00 0.69 S ATOM 0 H CYS A 33 7.720 -10.029 11.638 1.00 0.77 H new ATOM 0 HA CYS A 33 9.019 -8.208 13.438 1.00 0.67 H new ATOM 0 HB2 CYS A 33 10.287 -10.725 12.365 1.00 0.60 H new ATOM 0 HB3 CYS A 33 10.283 -10.110 14.007 1.00 0.60 H new ATOM 450 N VAL A 34 11.579 -8.624 12.069 1.00 0.63 N ATOM 451 CA VAL A 34 12.691 -8.032 11.273 1.00 0.70 C ATOM 452 C VAL A 34 13.989 -8.828 11.402 1.00 0.59 C ATOM 453 O VAL A 34 14.003 -9.972 11.808 1.00 0.55 O ATOM 454 CB VAL A 34 12.968 -6.561 11.701 1.00 0.78 C ATOM 455 CG1 VAL A 34 13.022 -5.701 10.435 1.00 1.00 C ATOM 456 CG2 VAL A 34 11.880 -5.980 12.633 1.00 0.79 C ATOM 0 H VAL A 34 11.851 -9.280 12.801 1.00 0.63 H new ATOM 0 HA VAL A 34 12.364 -8.063 10.234 1.00 0.70 H new ATOM 0 HB VAL A 34 13.907 -6.553 12.254 1.00 0.78 H new ATOM 0 HG11 VAL A 34 13.215 -4.664 10.708 1.00 1.00 H new ATOM 0 HG12 VAL A 34 13.820 -6.060 9.785 1.00 1.00 H new ATOM 0 HG13 VAL A 34 12.069 -5.767 9.910 1.00 1.00 H new ATOM 0 HG21 VAL A 34 12.134 -4.953 12.893 1.00 0.79 H new ATOM 0 HG22 VAL A 34 10.917 -5.997 12.123 1.00 0.79 H new ATOM 0 HG23 VAL A 34 11.820 -6.580 13.541 1.00 0.79 H new ATOM 466 N ILE A 35 15.045 -8.173 11.018 1.00 0.61 N ATOM 467 CA ILE A 35 16.409 -8.750 11.053 1.00 0.58 C ATOM 468 C ILE A 35 16.944 -8.987 12.482 1.00 0.52 C ATOM 469 O ILE A 35 18.022 -8.570 12.838 1.00 0.71 O ATOM 470 CB ILE A 35 17.264 -7.713 10.316 1.00 0.69 C ATOM 471 CG1 ILE A 35 18.746 -8.013 10.471 1.00 0.74 C ATOM 472 CG2 ILE A 35 16.947 -6.324 10.921 1.00 0.80 C ATOM 473 CD1 ILE A 35 19.458 -7.727 9.148 1.00 1.00 C ATOM 0 H ILE A 35 15.012 -7.216 10.665 1.00 0.61 H new ATOM 0 HA ILE A 35 16.427 -9.740 10.596 1.00 0.58 H new ATOM 0 HB ILE A 35 17.032 -7.739 9.251 1.00 0.69 H new ATOM 0 HG12 ILE A 35 19.172 -7.401 11.267 1.00 0.74 H new ATOM 0 HG13 ILE A 35 18.890 -9.055 10.758 1.00 0.74 H new ATOM 0 HG21 ILE A 35 17.542 -5.563 10.416 1.00 0.80 H new ATOM 0 HG22 ILE A 35 15.888 -6.103 10.790 1.00 0.80 H new ATOM 0 HG23 ILE A 35 17.188 -6.327 11.984 1.00 0.80 H new ATOM 0 HD11 ILE A 35 20.522 -7.941 9.254 1.00 1.00 H new ATOM 0 HD12 ILE A 35 19.037 -8.358 8.365 1.00 1.00 H new ATOM 0 HD13 ILE A 35 19.323 -6.679 8.881 1.00 1.00 H new ATOM 485 N GLY A 36 16.191 -9.700 13.254 1.00 0.45 N ATOM 486 CA GLY A 36 16.619 -9.989 14.659 1.00 0.49 C ATOM 487 C GLY A 36 15.382 -10.108 15.528 1.00 0.43 C ATOM 488 O GLY A 36 15.415 -9.912 16.725 1.00 0.61 O ATOM 0 H GLY A 36 15.293 -10.101 12.982 1.00 0.45 H new ATOM 0 HA2 GLY A 36 17.197 -10.912 14.696 1.00 0.49 H new ATOM 0 HA3 GLY A 36 17.266 -9.193 15.029 1.00 0.49 H new ATOM 492 N TYR A 37 14.315 -10.430 14.873 1.00 0.34 N ATOM 493 CA TYR A 37 13.028 -10.586 15.558 1.00 0.27 C ATOM 494 C TYR A 37 12.221 -11.686 14.874 1.00 0.40 C ATOM 495 O TYR A 37 11.937 -11.594 13.694 1.00 0.51 O ATOM 496 CB TYR A 37 12.317 -9.248 15.450 1.00 0.34 C ATOM 497 CG TYR A 37 13.153 -8.134 16.104 1.00 0.39 C ATOM 498 CD1 TYR A 37 13.386 -8.103 17.470 1.00 0.43 C ATOM 499 CD2 TYR A 37 13.506 -7.030 15.351 1.00 0.61 C ATOM 500 CE1 TYR A 37 13.925 -6.991 18.053 1.00 0.57 C ATOM 501 CE2 TYR A 37 14.029 -5.907 15.933 1.00 0.69 C ATOM 502 CZ TYR A 37 14.243 -5.875 17.300 1.00 0.62 C ATOM 503 OH TYR A 37 14.683 -4.722 17.918 1.00 0.78 O ATOM 0 H TYR A 37 14.286 -10.595 13.867 1.00 0.34 H new ATOM 0 HA TYR A 37 13.154 -10.868 16.603 1.00 0.27 H new ATOM 0 HB2 TYR A 37 12.139 -9.008 14.402 1.00 0.34 H new ATOM 0 HB3 TYR A 37 11.342 -9.309 15.933 1.00 0.34 H new ATOM 0 HD1 TYR A 37 13.140 -8.962 18.077 1.00 0.43 H new ATOM 0 HD2 TYR A 37 13.366 -7.054 14.280 1.00 0.61 H new ATOM 0 HE1 TYR A 37 14.105 -6.983 19.118 1.00 0.57 H new ATOM 0 HE2 TYR A 37 14.274 -5.048 15.327 1.00 0.69 H new ATOM 0 HH TYR A 37 15.579 -4.497 17.591 1.00 0.78 H new ATOM 513 N SER A 38 11.910 -12.726 15.623 1.00 0.47 N ATOM 514 CA SER A 38 11.118 -13.858 15.039 1.00 0.68 C ATOM 515 C SER A 38 10.466 -14.728 16.131 1.00 0.80 C ATOM 516 O SER A 38 10.314 -14.303 17.255 1.00 0.75 O ATOM 517 CB SER A 38 12.072 -14.736 14.220 1.00 0.83 C ATOM 518 OG SER A 38 13.276 -13.985 14.162 1.00 1.62 O ATOM 0 H SER A 38 12.169 -12.837 16.603 1.00 0.47 H new ATOM 0 HA SER A 38 10.323 -13.440 14.422 1.00 0.68 H new ATOM 0 HB2 SER A 38 12.229 -15.704 14.696 1.00 0.83 H new ATOM 0 HB3 SER A 38 11.676 -14.931 13.223 1.00 0.83 H new ATOM 0 HG SER A 38 13.948 -14.483 13.650 1.00 1.62 H new ATOM 524 N GLY A 39 10.095 -15.937 15.772 1.00 0.99 N ATOM 525 CA GLY A 39 9.449 -16.850 16.774 1.00 1.14 C ATOM 526 C GLY A 39 7.927 -16.775 16.624 1.00 1.18 C ATOM 527 O GLY A 39 7.442 -16.544 15.537 1.00 1.21 O ATOM 0 H GLY A 39 10.210 -16.329 14.837 1.00 0.99 H new ATOM 0 HA2 GLY A 39 9.790 -17.874 16.622 1.00 1.14 H new ATOM 0 HA3 GLY A 39 9.740 -16.563 17.784 1.00 1.14 H new ATOM 531 N ASP A 40 7.199 -16.997 17.701 1.00 1.23 N ATOM 532 CA ASP A 40 5.709 -16.925 17.592 1.00 1.28 C ATOM 533 C ASP A 40 5.370 -15.662 16.823 1.00 1.17 C ATOM 534 O ASP A 40 5.305 -15.672 15.610 1.00 1.27 O ATOM 535 CB ASP A 40 5.113 -16.822 19.001 1.00 1.28 C ATOM 536 CG ASP A 40 5.410 -18.106 19.777 1.00 1.87 C ATOM 537 OD1 ASP A 40 6.545 -18.229 20.206 1.00 3.00 O ATOM 538 OD2 ASP A 40 4.484 -18.891 19.899 1.00 2.24 O ATOM 0 H ASP A 40 7.565 -17.219 18.627 1.00 1.23 H new ATOM 0 HA ASP A 40 5.311 -17.807 17.090 1.00 1.28 H new ATOM 0 HB2 ASP A 40 5.534 -15.963 19.524 1.00 1.28 H new ATOM 0 HB3 ASP A 40 4.037 -16.662 18.941 1.00 1.28 H new ATOM 543 N ARG A 41 5.127 -14.593 17.527 1.00 1.03 N ATOM 544 CA ARG A 41 4.812 -13.356 16.798 1.00 0.94 C ATOM 545 C ARG A 41 6.156 -12.855 16.296 1.00 0.81 C ATOM 546 O ARG A 41 6.424 -12.815 15.114 1.00 0.86 O ATOM 547 CB ARG A 41 4.206 -12.300 17.750 1.00 0.91 C ATOM 548 CG ARG A 41 3.331 -12.968 18.819 1.00 1.24 C ATOM 549 CD ARG A 41 2.702 -11.896 19.683 1.00 1.16 C ATOM 550 NE ARG A 41 3.575 -11.592 20.843 1.00 1.49 N ATOM 551 CZ ARG A 41 3.491 -12.333 21.914 1.00 1.67 C ATOM 552 NH1 ARG A 41 4.134 -13.469 21.951 1.00 2.02 N ATOM 553 NH2 ARG A 41 2.755 -11.915 22.908 1.00 1.84 N ATOM 0 H ARG A 41 5.134 -14.530 18.545 1.00 1.03 H new ATOM 0 HA ARG A 41 4.090 -13.531 16.000 1.00 0.94 H new ATOM 0 HB2 ARG A 41 5.005 -11.735 18.229 1.00 0.91 H new ATOM 0 HB3 ARG A 41 3.610 -11.588 17.179 1.00 0.91 H new ATOM 0 HG2 ARG A 41 2.557 -13.573 18.347 1.00 1.24 H new ATOM 0 HG3 ARG A 41 3.932 -13.640 19.431 1.00 1.24 H new ATOM 0 HD2 ARG A 41 2.541 -10.993 19.094 1.00 1.16 H new ATOM 0 HD3 ARG A 41 1.724 -12.228 20.032 1.00 1.16 H new ATOM 0 HE ARG A 41 4.233 -10.813 20.804 1.00 1.49 H new ATOM 0 HH11 ARG A 41 4.692 -13.766 21.150 1.00 2.02 H new ATOM 0 HH12 ARG A 41 4.079 -14.060 22.781 1.00 2.02 H new ATOM 0 HH21 ARG A 41 2.260 -11.026 22.838 1.00 1.84 H new ATOM 0 HH22 ARG A 41 2.675 -12.478 23.755 1.00 1.84 H new ATOM 567 N CYS A 42 6.981 -12.547 17.258 1.00 0.69 N ATOM 568 CA CYS A 42 8.347 -12.042 17.001 1.00 0.59 C ATOM 569 C CYS A 42 9.076 -11.985 18.332 1.00 0.52 C ATOM 570 O CYS A 42 9.914 -11.135 18.560 1.00 0.54 O ATOM 571 CB CYS A 42 8.285 -10.630 16.446 1.00 0.54 C ATOM 572 SG CYS A 42 7.318 -10.353 14.946 1.00 0.67 S ATOM 0 H CYS A 42 6.749 -12.630 18.248 1.00 0.69 H new ATOM 0 HA CYS A 42 8.852 -12.694 16.288 1.00 0.59 H new ATOM 0 HB2 CYS A 42 7.886 -9.981 17.226 1.00 0.54 H new ATOM 0 HB3 CYS A 42 9.306 -10.302 16.251 1.00 0.54 H new ATOM 577 N GLN A 43 8.732 -12.903 19.183 1.00 0.56 N ATOM 578 CA GLN A 43 9.367 -12.948 20.521 1.00 0.57 C ATOM 579 C GLN A 43 10.828 -13.401 20.469 1.00 0.63 C ATOM 580 O GLN A 43 11.406 -13.692 21.498 1.00 0.90 O ATOM 581 CB GLN A 43 8.593 -13.967 21.377 1.00 0.64 C ATOM 582 CG GLN A 43 8.997 -15.395 20.984 1.00 1.14 C ATOM 583 CD GLN A 43 7.992 -16.394 21.564 1.00 1.26 C ATOM 584 OE1 GLN A 43 6.726 -16.084 21.596 1.00 1.88 O flip ATOM 585 NE2 GLN A 43 8.354 -17.470 21.995 1.00 1.63 N flip ATOM 0 H GLN A 43 8.035 -13.627 19.008 1.00 0.56 H new ATOM 0 HA GLN A 43 9.342 -11.940 20.935 1.00 0.57 H new ATOM 0 HB2 GLN A 43 8.800 -13.799 22.434 1.00 0.64 H new ATOM 0 HB3 GLN A 43 7.520 -13.832 21.237 1.00 0.64 H new ATOM 0 HG2 GLN A 43 9.031 -15.488 19.898 1.00 1.14 H new ATOM 0 HG3 GLN A 43 9.998 -15.615 21.355 1.00 1.14 H new ATOM 0 HE21 GLN A 43 9.342 -17.721 21.974 1.00 1.63 H new ATOM 0 HE22 GLN A 43 7.670 -18.122 22.378 1.00 1.63 H new ATOM 594 N THR A 44 11.404 -13.450 19.292 1.00 0.67 N ATOM 595 CA THR A 44 12.814 -13.886 19.193 1.00 0.75 C ATOM 596 C THR A 44 13.787 -12.731 18.973 1.00 0.61 C ATOM 597 O THR A 44 14.223 -12.489 17.864 1.00 0.59 O ATOM 598 CB THR A 44 12.943 -14.859 18.022 1.00 0.93 C ATOM 599 OG1 THR A 44 11.895 -15.794 18.192 1.00 0.93 O ATOM 600 CG2 THR A 44 14.219 -15.688 18.157 1.00 1.26 C ATOM 0 H THR A 44 10.956 -13.207 18.408 1.00 0.67 H new ATOM 0 HA THR A 44 13.074 -14.353 20.143 1.00 0.75 H new ATOM 0 HB THR A 44 12.933 -14.311 17.080 1.00 0.93 H new ATOM 0 HG1 THR A 44 11.070 -15.321 18.428 1.00 0.93 H new ATOM 0 HG21 THR A 44 14.296 -16.376 17.315 1.00 1.26 H new ATOM 0 HG22 THR A 44 15.084 -15.025 18.165 1.00 1.26 H new ATOM 0 HG23 THR A 44 14.188 -16.255 19.088 1.00 1.26 H new ATOM 608 N ARG A 45 14.096 -12.039 20.036 1.00 0.66 N ATOM 609 CA ARG A 45 15.031 -10.905 19.956 1.00 0.66 C ATOM 610 C ARG A 45 16.429 -11.452 20.273 1.00 0.78 C ATOM 611 O ARG A 45 16.906 -11.326 21.382 1.00 0.94 O ATOM 612 CB ARG A 45 14.631 -9.932 21.052 1.00 0.78 C ATOM 613 CG ARG A 45 15.579 -8.752 20.985 1.00 0.89 C ATOM 614 CD ARG A 45 14.924 -7.513 21.598 1.00 0.91 C ATOM 615 NE ARG A 45 14.955 -7.630 23.084 1.00 1.49 N ATOM 616 CZ ARG A 45 14.848 -6.554 23.813 1.00 1.94 C ATOM 617 NH1 ARG A 45 14.492 -5.437 23.240 1.00 2.25 N ATOM 618 NH2 ARG A 45 15.099 -6.630 25.091 1.00 2.88 N ATOM 0 H ARG A 45 13.728 -12.223 20.969 1.00 0.66 H new ATOM 0 HA ARG A 45 15.018 -10.421 18.979 1.00 0.66 H new ATOM 0 HB2 ARG A 45 13.601 -9.604 20.915 1.00 0.78 H new ATOM 0 HB3 ARG A 45 14.686 -10.412 22.029 1.00 0.78 H new ATOM 0 HG2 ARG A 45 16.501 -8.986 21.517 1.00 0.89 H new ATOM 0 HG3 ARG A 45 15.851 -8.553 19.948 1.00 0.89 H new ATOM 0 HD2 ARG A 45 15.451 -6.613 21.281 1.00 0.91 H new ATOM 0 HD3 ARG A 45 13.895 -7.420 21.249 1.00 0.91 H new ATOM 0 HE ARG A 45 15.059 -8.543 23.526 1.00 1.49 H new ATOM 0 HH11 ARG A 45 14.303 -5.416 22.238 1.00 2.25 H new ATOM 0 HH12 ARG A 45 14.403 -4.585 23.794 1.00 2.25 H new ATOM 0 HH21 ARG A 45 15.374 -7.521 25.505 1.00 2.88 H new ATOM 0 HH22 ARG A 45 15.020 -5.798 25.677 1.00 2.88 H new ATOM 632 N ASP A 46 17.059 -12.049 19.295 1.00 0.81 N ATOM 633 CA ASP A 46 18.429 -12.622 19.537 1.00 1.02 C ATOM 634 C ASP A 46 19.587 -11.705 19.131 1.00 0.98 C ATOM 635 O ASP A 46 19.388 -10.608 18.653 1.00 1.01 O ATOM 636 CB ASP A 46 18.537 -13.914 18.720 1.00 1.25 C ATOM 637 CG ASP A 46 18.322 -15.116 19.641 1.00 1.81 C ATOM 638 OD1 ASP A 46 17.292 -15.120 20.295 1.00 2.35 O ATOM 639 OD2 ASP A 46 19.200 -15.964 19.640 1.00 2.29 O ATOM 0 H ASP A 46 16.696 -12.167 18.349 1.00 0.81 H new ATOM 0 HA ASP A 46 18.523 -12.775 20.612 1.00 1.02 H new ATOM 0 HB2 ASP A 46 17.795 -13.916 17.922 1.00 1.25 H new ATOM 0 HB3 ASP A 46 19.516 -13.976 18.245 1.00 1.25 H new ATOM 644 N LEU A 47 20.792 -12.201 19.355 1.00 1.11 N ATOM 645 CA LEU A 47 22.026 -11.423 19.009 1.00 1.16 C ATOM 646 C LEU A 47 22.101 -11.166 17.517 1.00 1.13 C ATOM 647 O LEU A 47 22.900 -11.769 16.826 1.00 1.30 O ATOM 648 CB LEU A 47 23.245 -12.259 19.422 1.00 1.31 C ATOM 649 CG LEU A 47 23.337 -12.287 20.949 1.00 1.78 C ATOM 650 CD1 LEU A 47 23.574 -13.727 21.413 1.00 2.14 C ATOM 651 CD2 LEU A 47 24.507 -11.412 21.400 1.00 2.72 C ATOM 0 H LEU A 47 20.968 -13.118 19.766 1.00 1.11 H new ATOM 0 HA LEU A 47 22.004 -10.465 19.528 1.00 1.16 H new ATOM 0 HB2 LEU A 47 23.156 -13.273 19.032 1.00 1.31 H new ATOM 0 HB3 LEU A 47 24.154 -11.833 18.998 1.00 1.31 H new ATOM 0 HG LEU A 47 22.410 -11.910 21.380 1.00 1.78 H new ATOM 0 HD11 LEU A 47 23.640 -13.753 22.501 1.00 2.14 H new ATOM 0 HD12 LEU A 47 22.746 -14.356 21.085 1.00 2.14 H new ATOM 0 HD13 LEU A 47 24.504 -14.099 20.984 1.00 2.14 H new ATOM 0 HD21 LEU A 47 24.576 -11.429 22.488 1.00 2.72 H new ATOM 0 HD22 LEU A 47 25.433 -11.794 20.971 1.00 2.72 H new ATOM 0 HD23 LEU A 47 24.347 -10.388 21.063 1.00 2.72 H new ATOM 663 N ARG A 48 21.266 -10.274 17.036 1.00 1.05 N ATOM 664 CA ARG A 48 21.290 -9.990 15.602 1.00 1.13 C ATOM 665 C ARG A 48 20.948 -8.528 15.254 1.00 1.05 C ATOM 666 O ARG A 48 21.813 -7.676 15.248 1.00 1.21 O ATOM 667 CB ARG A 48 20.317 -10.989 14.920 1.00 1.20 C ATOM 668 CG ARG A 48 19.480 -11.760 15.973 1.00 1.20 C ATOM 669 CD ARG A 48 18.678 -12.861 15.267 1.00 1.28 C ATOM 670 NE ARG A 48 19.379 -14.162 15.457 1.00 2.25 N ATOM 671 CZ ARG A 48 19.471 -14.991 14.455 1.00 2.40 C ATOM 672 NH1 ARG A 48 18.418 -15.679 14.106 1.00 2.49 N ATOM 673 NH2 ARG A 48 20.612 -15.103 13.832 1.00 2.95 N ATOM 0 H ARG A 48 20.584 -9.747 17.582 1.00 1.05 H new ATOM 0 HA ARG A 48 22.307 -10.120 15.231 1.00 1.13 H new ATOM 0 HB2 ARG A 48 19.651 -10.450 14.246 1.00 1.20 H new ATOM 0 HB3 ARG A 48 20.883 -11.695 14.313 1.00 1.20 H new ATOM 0 HG2 ARG A 48 20.134 -12.196 16.728 1.00 1.20 H new ATOM 0 HG3 ARG A 48 18.806 -11.077 16.491 1.00 1.20 H new ATOM 0 HD2 ARG A 48 17.668 -12.913 15.675 1.00 1.28 H new ATOM 0 HD3 ARG A 48 18.582 -12.636 14.205 1.00 1.28 H new ATOM 0 HE ARG A 48 19.783 -14.402 16.362 1.00 2.25 H new ATOM 0 HH11 ARG A 48 17.542 -15.563 14.615 1.00 2.49 H new ATOM 0 HH12 ARG A 48 18.472 -16.332 13.324 1.00 2.49 H new ATOM 0 HH21 ARG A 48 21.413 -14.547 14.131 1.00 2.95 H new ATOM 0 HH22 ARG A 48 20.703 -15.747 13.046 1.00 2.95 H new ATOM 687 N TRP A 49 19.712 -8.275 14.978 1.00 0.89 N ATOM 688 CA TRP A 49 19.265 -6.892 14.619 1.00 0.84 C ATOM 689 C TRP A 49 20.020 -5.775 15.294 1.00 1.05 C ATOM 690 O TRP A 49 20.995 -5.252 14.794 1.00 1.19 O ATOM 691 CB TRP A 49 17.786 -6.705 15.021 1.00 0.82 C ATOM 692 CG TRP A 49 17.387 -5.244 15.177 1.00 1.01 C ATOM 693 CD1 TRP A 49 16.676 -4.848 16.225 1.00 1.26 C ATOM 694 CD2 TRP A 49 17.221 -4.371 14.185 1.00 0.96 C ATOM 695 NE1 TRP A 49 16.041 -3.779 15.812 1.00 1.27 N ATOM 696 CE2 TRP A 49 16.304 -3.423 14.547 1.00 1.10 C ATOM 697 CE3 TRP A 49 17.818 -4.293 12.953 1.00 0.97 C ATOM 698 CZ2 TRP A 49 15.923 -2.458 13.675 1.00 1.15 C ATOM 699 CZ3 TRP A 49 17.453 -3.303 12.065 1.00 1.13 C ATOM 700 CH2 TRP A 49 16.502 -2.380 12.428 1.00 1.12 C ATOM 0 H TRP A 49 18.969 -8.974 14.983 1.00 0.89 H new ATOM 0 HA TRP A 49 19.444 -6.822 13.546 1.00 0.84 H new ATOM 0 HB2 TRP A 49 17.150 -7.170 14.268 1.00 0.82 H new ATOM 0 HB3 TRP A 49 17.603 -7.227 15.960 1.00 0.82 H new ATOM 0 HD1 TRP A 49 16.631 -5.306 17.202 1.00 1.26 H new ATOM 0 HE1 TRP A 49 15.397 -3.258 16.407 1.00 1.27 H new ATOM 0 HE3 TRP A 49 18.577 -5.010 12.677 1.00 0.97 H new ATOM 0 HZ2 TRP A 49 15.162 -1.747 13.959 1.00 1.15 H new ATOM 0 HZ3 TRP A 49 17.912 -3.253 11.089 1.00 1.13 H new ATOM 0 HH2 TRP A 49 16.211 -1.599 11.741 1.00 1.12 H new ATOM 711 N TRP A 50 19.522 -5.448 16.429 1.00 1.26 N ATOM 712 CA TRP A 50 20.132 -4.353 17.225 1.00 1.61 C ATOM 713 C TRP A 50 21.661 -4.407 17.300 1.00 1.92 C ATOM 714 O TRP A 50 22.288 -3.419 17.622 1.00 2.32 O ATOM 715 CB TRP A 50 19.540 -4.333 18.652 1.00 1.63 C ATOM 716 CG TRP A 50 19.309 -5.758 19.167 1.00 1.34 C ATOM 717 CD1 TRP A 50 18.139 -6.430 19.084 1.00 1.26 C ATOM 718 CD2 TRP A 50 20.247 -6.536 19.697 1.00 1.49 C ATOM 719 NE1 TRP A 50 18.450 -7.635 19.559 1.00 1.28 N ATOM 720 CE2 TRP A 50 19.727 -7.784 19.962 1.00 1.44 C ATOM 721 CE3 TRP A 50 21.548 -6.248 20.061 1.00 1.93 C ATOM 722 CZ2 TRP A 50 20.491 -8.744 20.564 1.00 1.80 C ATOM 723 CZ3 TRP A 50 22.319 -7.210 20.682 1.00 2.22 C ATOM 724 CH2 TRP A 50 21.790 -8.454 20.936 1.00 2.15 C ATOM 0 H TRP A 50 18.708 -5.891 16.855 1.00 1.26 H new ATOM 0 HA TRP A 50 19.885 -3.433 16.696 1.00 1.61 H new ATOM 0 HB2 TRP A 50 20.216 -3.804 19.324 1.00 1.63 H new ATOM 0 HB3 TRP A 50 18.598 -3.785 18.652 1.00 1.63 H new ATOM 0 HD1 TRP A 50 17.185 -6.076 18.721 1.00 1.26 H new ATOM 0 HE1 TRP A 50 17.769 -8.392 19.614 1.00 1.28 H new ATOM 0 HE3 TRP A 50 21.962 -5.271 19.860 1.00 1.93 H new ATOM 0 HZ2 TRP A 50 20.081 -9.726 20.748 1.00 1.80 H new ATOM 0 HZ3 TRP A 50 23.336 -6.986 20.968 1.00 2.22 H new ATOM 0 HH2 TRP A 50 22.391 -9.205 21.427 1.00 2.15 H new ATOM 735 N GLU A 51 22.238 -5.535 17.007 1.00 2.72 N ATOM 736 CA GLU A 51 23.730 -5.619 17.070 1.00 3.11 C ATOM 737 C GLU A 51 24.253 -5.022 18.380 1.00 3.48 C ATOM 738 O GLU A 51 24.395 -5.718 19.362 1.00 4.28 O ATOM 739 CB GLU A 51 24.312 -4.817 15.896 1.00 2.92 C ATOM 740 CG GLU A 51 24.523 -5.746 14.698 1.00 3.39 C ATOM 741 CD GLU A 51 25.906 -6.393 14.799 1.00 3.79 C ATOM 742 OE1 GLU A 51 26.089 -7.137 15.749 1.00 4.24 O ATOM 743 OE2 GLU A 51 26.702 -6.109 13.919 1.00 4.13 O ATOM 0 H GLU A 51 21.757 -6.391 16.731 1.00 2.72 H new ATOM 0 HA GLU A 51 24.030 -6.666 17.017 1.00 3.11 H new ATOM 0 HB2 GLU A 51 23.636 -4.005 15.626 1.00 2.92 H new ATOM 0 HB3 GLU A 51 25.258 -4.361 16.187 1.00 2.92 H new ATOM 0 HG2 GLU A 51 23.750 -6.514 14.678 1.00 3.39 H new ATOM 0 HG3 GLU A 51 24.438 -5.184 13.768 1.00 3.39 H new ATOM 750 N LEU A 52 24.542 -3.745 18.366 1.00 3.91 N ATOM 751 CA LEU A 52 25.051 -3.091 19.590 1.00 4.68 C ATOM 752 C LEU A 52 25.489 -1.653 19.285 1.00 4.92 C ATOM 753 O LEU A 52 26.238 -1.404 18.365 1.00 5.27 O ATOM 754 CB LEU A 52 26.196 -3.964 20.168 1.00 5.55 C ATOM 755 CG LEU A 52 27.325 -3.141 20.828 1.00 6.57 C ATOM 756 CD1 LEU A 52 28.229 -2.502 19.748 1.00 7.37 C ATOM 757 CD2 LEU A 52 26.736 -2.095 21.806 1.00 7.22 C ATOM 0 H LEU A 52 24.444 -3.134 17.555 1.00 3.91 H new ATOM 0 HA LEU A 52 24.268 -3.013 20.344 1.00 4.68 H new ATOM 0 HB2 LEU A 52 25.781 -4.653 20.904 1.00 5.55 H new ATOM 0 HB3 LEU A 52 26.620 -4.570 19.367 1.00 5.55 H new ATOM 0 HG LEU A 52 27.955 -3.806 21.419 1.00 6.57 H new ATOM 0 HD11 LEU A 52 29.019 -1.926 20.229 1.00 7.37 H new ATOM 0 HD12 LEU A 52 28.674 -3.286 19.135 1.00 7.37 H new ATOM 0 HD13 LEU A 52 27.632 -1.843 19.117 1.00 7.37 H new ATOM 0 HD21 LEU A 52 27.546 -1.525 22.261 1.00 7.22 H new ATOM 0 HD22 LEU A 52 26.078 -1.418 21.262 1.00 7.22 H new ATOM 0 HD23 LEU A 52 26.169 -2.604 22.585 1.00 7.22 H new ATOM 769 N ARG A 53 24.954 -0.745 20.069 1.00 5.47 N ATOM 770 CA ARG A 53 25.246 0.712 19.939 1.00 6.37 C ATOM 771 C ARG A 53 24.084 1.523 20.510 1.00 7.07 C ATOM 772 O ARG A 53 23.167 1.772 19.744 1.00 7.58 O ATOM 773 CB ARG A 53 25.413 1.105 18.459 1.00 6.78 C ATOM 774 CG ARG A 53 26.900 1.122 18.096 1.00 7.08 C ATOM 775 CD ARG A 53 27.438 2.556 18.185 1.00 8.05 C ATOM 776 NE ARG A 53 26.788 3.258 19.331 1.00 8.28 N ATOM 777 CZ ARG A 53 27.363 3.251 20.505 1.00 8.45 C ATOM 778 NH1 ARG A 53 28.651 3.439 20.580 1.00 8.91 N ATOM 779 NH2 ARG A 53 26.627 3.057 21.566 1.00 8.33 N ATOM 780 OXT ARG A 53 24.176 1.847 21.682 1.00 7.61 O ATOM 0 H ARG A 53 24.302 -0.969 20.821 1.00 5.47 H new ATOM 0 HA ARG A 53 26.168 0.919 20.482 1.00 6.37 H new ATOM 0 HB2 ARG A 53 24.881 0.398 17.822 1.00 6.78 H new ATOM 0 HB3 ARG A 53 24.974 2.087 18.281 1.00 6.78 H new ATOM 0 HG2 ARG A 53 27.456 0.472 18.771 1.00 7.08 H new ATOM 0 HG3 ARG A 53 27.043 0.732 17.088 1.00 7.08 H new ATOM 0 HD2 ARG A 53 28.520 2.543 18.318 1.00 8.05 H new ATOM 0 HD3 ARG A 53 27.238 3.090 17.256 1.00 8.05 H new ATOM 0 HE ARG A 53 25.899 3.741 19.199 1.00 8.28 H new ATOM 0 HH11 ARG A 53 29.195 3.589 19.730 1.00 8.91 H new ATOM 0 HH12 ARG A 53 29.115 3.436 21.488 1.00 8.91 H new ATOM 0 HH21 ARG A 53 25.622 2.914 21.470 1.00 8.33 H new ATOM 0 HH22 ARG A 53 27.058 3.048 22.491 1.00 8.33 H new TER 794 ARG A 53 CONECT 75 255 CONECT 182 421 CONECT 255 75 CONECT 421 182 CONECT 445 572 CONECT 572 445 END