USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 745 hydrogens (0 hets) HEADER CHAPERONE 30-APR-02 1J6Q TITLE SOLUTION STRUCTURE AND CHARACTERIZATION OF THE HEME TITLE 2 CHAPERONE CCME COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C MATURATION PROTEIN E; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: WATER SOLUBLE DOMAIN OF CCME; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA PUTREFACIENS; SOURCE 3 ORGANISM_TAXID: 24; SOURCE 4 GENE: CCME; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 GOLD(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPB10 KEYWDS ALL-BETA PROTEIN, HEME DELIVERY,CYTOCHROME C MATURATION, OB- KEYWDS 2 (OLIGONUCLEOTIDE BINDING)FOLD, CHAPERONE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR F.ARNESANO,L.BANCI,P.D.BARKER,I.BERTINI,A.ROSATO,X.C.SU, AUTHOR 2 M.S.VIEZZOLI REVDAT 2 24-FEB-09 1J6Q 1 VERSN REVDAT 1 25-DEC-02 1J6Q 0 JRNL AUTH F.ARNESANO,L.BANCI,P.D.BARKER,I.BERTINI,A.ROSATO, JRNL AUTH 2 X.C.SU,M.S.VIEZZOLI JRNL TITL SOLUTION STRUCTURE AND CHARACTERIZATION OF THE JRNL TITL 2 HEME CHAPERONE CCME JRNL REF BIOCHEMISTRY V. 41 13587 2002 JRNL REFN ISSN 0006-2960 JRNL PMID 12427019 JRNL DOI 10.1021/BI026362W REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : PEARLMAN, CASE, CALDWELL, ROSS, CHEATHAM, REMARK 3 FERGUSON, SEIBEL, SINGH, WEINER, KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1866 MEANINGFUL NOES AND 89 DIHEDRAL REMARK 3 ANGLE CONSTRAINTS. REMARK 4 REMARK 4 1J6Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-MAY-02. REMARK 100 THE RCSB ID CODE IS RCSB016066. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 20 MM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 2.0 MM APOCCME, 20 MM REMARK 210 PHOSPHATE, 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, 3D_13C- REMARK 210 SEPARATED_NOESY, 3D_15N- REMARK 210 SEPARATED_NOESY, HNHA, HNCO, REMARK 210 HNHB, CBCANH, CC(CO)NH, REMARK 210 CBCA(CO)NH REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, XEASY 1.3, DYANA REMARK 210 1.5, CORMA REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYANAMICS, RESTRAINED REMARK 210 ENERGY MINIMIZATION 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 : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C AND 15N DOUBLE LABELED APOCCME. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 PHE A 26 REMARK 465 ALA A 27 REMARK 465 ALA A 28 REMARK 465 ASP A 29 REMARK 465 LEU A 30 REMARK 465 ASN A 31 REMARK 465 ASP A 132 REMARK 465 GLU A 133 REMARK 465 ASN A 134 REMARK 465 TYR A 135 REMARK 465 MET A 136 REMARK 465 PRO A 137 REMARK 465 PRO A 138 REMARK 465 GLU A 139 REMARK 465 VAL A 140 REMARK 465 ALA A 141 REMARK 465 GLU A 142 REMARK 465 ALA A 143 REMARK 465 MET A 144 REMARK 465 GLY A 145 REMARK 465 GLN A 146 REMARK 465 LYS A 147 REMARK 465 HIS A 148 REMARK 465 GLU A 149 REMARK 465 LYS A 150 REMARK 465 LEU A 151 REMARK 465 ASP A 152 REMARK 465 TYR A 153 REMARK 465 SER A 154 REMARK 465 GLN A 155 REMARK 465 GLN A 156 REMARK 465 LYS A 157 REMARK 465 SER A 158 REMARK 465 ALA A 159 REMARK 465 THR A 160 REMARK 465 GLN A 161 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 61 NE - CZ - NH2 ANGL. DEV. = -3.1 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 ILE A 43 42.13 -79.44 REMARK 500 VAL A 44 -55.16 -141.86 REMARK 500 LYS A 47 -107.47 -149.52 REMARK 500 LYS A 53 -74.80 -102.94 REMARK 500 LEU A 78 7.00 -154.88 REMARK 500 PRO A 101 -92.44 -64.37 REMARK 500 ASP A 102 43.19 -77.93 REMARK 500 LEU A 103 13.05 50.23 REMARK 500 PHE A 104 79.44 59.52 REMARK 500 ASP A 119 67.29 13.52 REMARK 500 THR A 125 -40.32 -147.35 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 PHE A 104 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1J6Q A 30 161 UNP O52690 O52690_SHEPU 30 161 SEQADV 1J6Q PHE A 26 UNP O52690 CLONING ARTIFACT SEQADV 1J6Q ALA A 27 UNP O52690 CLONING ARTIFACT SEQADV 1J6Q ALA A 28 UNP O52690 CLONING ARTIFACT SEQADV 1J6Q ASP A 29 UNP O52690 CLONING ARTIFACT SEQRES 1 A 136 PHE ALA ALA ASP LEU ASN SER ASN LEU ASN LEU PHE TYR SEQRES 2 A 136 THR PRO SER GLU ILE VAL ASN GLY LYS THR ASP THR GLY SEQRES 3 A 136 VAL LYS PRO GLU ALA GLY GLN ARG ILE ARG VAL GLY GLY SEQRES 4 A 136 MET VAL THR VAL GLY SER MET VAL ARG ASP PRO ASN SER SEQRES 5 A 136 LEU HIS VAL GLN PHE ALA VAL HIS ASP SER LEU GLY GLY SEQRES 6 A 136 GLU ILE LEU VAL THR TYR ASP ASP LEU LEU PRO ASP LEU SEQRES 7 A 136 PHE ARG GLU GLY GLN GLY ILE VAL ALA GLN GLY VAL LEU SEQRES 8 A 136 GLY GLU ASP GLY LYS LEU ALA ALA THR GLU VAL LEU ALA SEQRES 9 A 136 LYS HIS ASP GLU ASN TYR MET PRO PRO GLU VAL ALA GLU SEQRES 10 A 136 ALA MET GLY GLN LYS HIS GLU LYS LEU ASP TYR SER GLN SEQRES 11 A 136 GLN LYS SER ALA THR GLN SHEET 1 A 9 PHE A 37 TYR A 38 0 SHEET 2 A 9 ARG A 59 VAL A 66 1 O ARG A 61 N TYR A 38 SHEET 3 A 9 VAL A 80 HIS A 85 -1 N HIS A 85 O MET A 65 SHEET 4 A 9 VAL A 72 ARG A 73 -1 O VAL A 72 N GLN A 81 SHEET 5 A 9 VAL A 80 HIS A 85 -1 N GLN A 81 O VAL A 72 SHEET 6 A 9 ILE A 92 TYR A 96 -1 N ILE A 92 O VAL A 84 SHEET 7 A 9 LEU A 122 LEU A 128 1 O LEU A 122 N THR A 95 SHEET 8 A 9 GLY A 109 LEU A 116 -1 O VAL A 111 N LEU A 128 SHEET 9 A 9 ARG A 59 VAL A 66 -1 O ILE A 60 N GLY A 114 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 67 THR OG1 : rot 175:sc= 1.25 USER MOD Set 1.2: A 85 HIS : no HE2:sc= 0.411 K(o=1.7,f=-2.3!) USER MOD Set 2.1: A 65 MET CE :methyl 161:sc= -0.0812 (180deg=-0.543) USER MOD Set 2.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 38 TYR OH : rot 120:sc= 0.63 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 157:sc= 1.78 (180deg=0.295) USER MOD Set 4.1: A 35 ASN : amide:sc= -0.287 K(o=-2.4,f=-7.3!) USER MOD Set 4.2: A 113 GLN : amide:sc= -2.12 K(o=-2.4,f=-4.4!) USER MOD Single : A 32 SER OG : rot -9:sc= 0.563 USER MOD Single : A 33 ASN : amide:sc= 0.801 K(o=0.8,f=-1.8!) USER MOD Single : A 39 THR OG1 : rot -91:sc= 0.127 USER MOD Single : A 41 SER OG : rot 160:sc= 0.0229 USER MOD Single : A 45 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0 USER MOD Single : A 50 THR OG1 : rot -57:sc= 1.32 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : A 70 SER OG : rot -170:sc= -0.137 USER MOD Single : A 71 MET CE :methyl -158:sc= -0.464 (180deg=-1.4) USER MOD Single : A 76 ASN : amide:sc= 1.21 K(o=1.2,f=-0.17) USER MOD Single : A 77 SER OG : rot 63:sc= 1.08 USER MOD Single : A 79 HIS : no HD1:sc= -0.0505 X(o=-0.05,f=-0.37) USER MOD Single : A 81 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.019) USER MOD Single : A 95 THR OG1 : rot 25:sc= 0.19 USER MOD Single : A 96 TYR OH : rot 147:sc= 1.17 USER MOD Single : A 108 GLN : amide:sc= -0.0727 K(o=-0.073,f=-1.4) USER MOD Single : A 121 LYS NZ :NH3+ -120:sc= 0.681 (180deg=0.665) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 32 16.241 -3.538 13.748 1.00 0.00 N ATOM 2 CA SER A 32 16.245 -4.398 12.560 1.00 0.00 C ATOM 3 C SER A 32 15.575 -3.759 11.334 1.00 0.00 C ATOM 4 O SER A 32 16.253 -3.111 10.537 1.00 0.00 O ATOM 5 CB SER A 32 15.761 -5.822 12.891 1.00 0.00 C ATOM 6 OG SER A 32 14.981 -5.856 14.073 1.00 0.00 O ATOM 0 HA SER A 32 17.284 -4.505 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.174 -6.208 12.058 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.622 -6.480 13.006 1.00 0.00 H new ATOM 0 HG SER A 32 15.026 -4.985 14.520 1.00 0.00 H new ATOM 12 N ASN A 33 14.260 -3.929 11.164 1.00 0.00 N ATOM 13 CA ASN A 33 13.506 -3.172 10.176 1.00 0.00 C ATOM 14 C ASN A 33 12.027 -3.224 10.543 1.00 0.00 C ATOM 15 O ASN A 33 11.499 -4.304 10.814 1.00 0.00 O ATOM 16 CB ASN A 33 13.768 -3.688 8.752 1.00 0.00 C ATOM 17 CG ASN A 33 14.223 -2.561 7.832 1.00 0.00 C ATOM 18 OD1 ASN A 33 13.545 -2.218 6.870 1.00 0.00 O ATOM 19 ND2 ASN A 33 15.376 -1.973 8.125 1.00 0.00 N ATOM 0 H ASN A 33 13.699 -4.589 11.703 1.00 0.00 H new ATOM 0 HA ASN A 33 13.835 -2.133 10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 33 14.529 -4.468 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.860 -4.142 8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.723 -1.211 7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.916 -2.283 8.933 1.00 0.00 H new ATOM 26 N LEU A 34 11.364 -2.065 10.581 1.00 0.00 N ATOM 27 CA LEU A 34 10.014 -1.919 11.112 1.00 0.00 C ATOM 28 C LEU A 34 8.963 -2.396 10.107 1.00 0.00 C ATOM 29 O LEU A 34 8.082 -1.646 9.692 1.00 0.00 O ATOM 30 CB LEU A 34 9.784 -0.465 11.550 1.00 0.00 C ATOM 31 CG LEU A 34 10.675 -0.081 12.745 1.00 0.00 C ATOM 32 CD1 LEU A 34 11.816 0.851 12.322 1.00 0.00 C ATOM 33 CD2 LEU A 34 9.837 0.595 13.837 1.00 0.00 C ATOM 0 H LEU A 34 11.760 -1.190 10.237 1.00 0.00 H new ATOM 0 HA LEU A 34 9.907 -2.557 11.989 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.989 0.203 10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.737 -0.327 11.818 1.00 0.00 H new ATOM 0 HG LEU A 34 11.113 -1.000 13.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.424 1.100 13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.436 0.352 11.577 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.401 1.764 11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.480 0.861 14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.374 1.496 13.435 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.061 -0.091 14.177 1.00 0.00 H new ATOM 45 N ASN A 35 9.012 -3.682 9.756 1.00 0.00 N ATOM 46 CA ASN A 35 8.026 -4.310 8.888 1.00 0.00 C ATOM 47 C ASN A 35 6.737 -4.570 9.674 1.00 0.00 C ATOM 48 O ASN A 35 6.330 -5.727 9.824 1.00 0.00 O ATOM 49 CB ASN A 35 8.588 -5.612 8.299 1.00 0.00 C ATOM 50 CG ASN A 35 9.765 -5.380 7.363 1.00 0.00 C ATOM 51 OD1 ASN A 35 9.597 -4.818 6.288 1.00 0.00 O ATOM 52 ND2 ASN A 35 10.957 -5.827 7.744 1.00 0.00 N ATOM 0 H ASN A 35 9.744 -4.318 10.071 1.00 0.00 H new ATOM 0 HA ASN A 35 7.796 -3.640 8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.901 -6.267 9.112 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.797 -6.131 7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.766 -5.706 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.063 -6.291 8.646 1.00 0.00 H new ATOM 59 N LEU A 36 6.085 -3.506 10.154 1.00 0.00 N ATOM 60 CA LEU A 36 4.796 -3.577 10.835 1.00 0.00 C ATOM 61 C LEU A 36 3.672 -3.174 9.887 1.00 0.00 C ATOM 62 O LEU A 36 3.914 -2.545 8.857 1.00 0.00 O ATOM 63 CB LEU A 36 4.777 -2.762 12.142 1.00 0.00 C ATOM 64 CG LEU A 36 4.447 -1.260 12.022 1.00 0.00 C ATOM 65 CD1 LEU A 36 4.197 -0.693 13.425 1.00 0.00 C ATOM 66 CD2 LEU A 36 5.575 -0.471 11.356 1.00 0.00 C ATOM 0 H LEU A 36 6.448 -2.556 10.077 1.00 0.00 H new ATOM 0 HA LEU A 36 4.632 -4.613 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.050 -3.217 12.815 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.754 -2.858 12.616 1.00 0.00 H new ATOM 0 HG LEU A 36 3.560 -1.161 11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.963 0.369 13.352 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.360 -1.218 13.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.090 -0.826 14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.296 0.581 11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.486 -0.571 11.946 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.748 -0.860 10.353 1.00 0.00 H new ATOM 78 N PHE A 37 2.447 -3.546 10.260 1.00 0.00 N ATOM 79 CA PHE A 37 1.236 -3.249 9.517 1.00 0.00 C ATOM 80 C PHE A 37 0.667 -1.926 10.030 1.00 0.00 C ATOM 81 O PHE A 37 0.341 -1.832 11.211 1.00 0.00 O ATOM 82 CB PHE A 37 0.229 -4.392 9.706 1.00 0.00 C ATOM 83 CG PHE A 37 0.726 -5.759 9.261 1.00 0.00 C ATOM 84 CD1 PHE A 37 1.461 -6.574 10.144 1.00 0.00 C ATOM 85 CD2 PHE A 37 0.458 -6.215 7.958 1.00 0.00 C ATOM 86 CE1 PHE A 37 1.933 -7.830 9.723 1.00 0.00 C ATOM 87 CE2 PHE A 37 0.897 -7.487 7.549 1.00 0.00 C ATOM 88 CZ PHE A 37 1.640 -8.293 8.428 1.00 0.00 C ATOM 0 H PHE A 37 2.272 -4.077 11.113 1.00 0.00 H new ATOM 0 HA PHE A 37 1.449 -3.157 8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.045 -4.446 10.760 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.679 -4.153 9.152 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.663 -6.233 11.149 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.087 -5.586 7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.520 -8.439 10.394 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.663 -7.845 6.557 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.985 -9.266 8.110 1.00 0.00 H new ATOM 98 N TYR A 38 0.570 -0.916 9.164 1.00 0.00 N ATOM 99 CA TYR A 38 0.178 0.444 9.509 1.00 0.00 C ATOM 100 C TYR A 38 -0.989 0.876 8.608 1.00 0.00 C ATOM 101 O TYR A 38 -1.055 0.484 7.443 1.00 0.00 O ATOM 102 CB TYR A 38 1.427 1.337 9.348 1.00 0.00 C ATOM 103 CG TYR A 38 1.728 2.345 10.447 1.00 0.00 C ATOM 104 CD1 TYR A 38 1.556 2.022 11.808 1.00 0.00 C ATOM 105 CD2 TYR A 38 2.415 3.525 10.111 1.00 0.00 C ATOM 106 CE1 TYR A 38 1.898 2.955 12.803 1.00 0.00 C ATOM 107 CE2 TYR A 38 2.757 4.460 11.102 1.00 0.00 C ATOM 108 CZ TYR A 38 2.462 4.193 12.447 1.00 0.00 C ATOM 109 OH TYR A 38 2.692 5.153 13.395 1.00 0.00 O ATOM 0 H TYR A 38 0.770 -1.030 8.170 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.175 0.526 10.537 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.294 0.684 9.246 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.328 1.884 8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.161 1.056 12.087 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.682 3.714 9.082 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.727 2.720 13.843 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.246 5.383 10.829 1.00 0.00 H new ATOM 0 HH TYR A 38 3.649 5.365 13.421 1.00 0.00 H new ATOM 119 N THR A 39 -1.938 1.645 9.145 1.00 0.00 N ATOM 120 CA THR A 39 -3.124 2.090 8.429 1.00 0.00 C ATOM 121 C THR A 39 -2.759 3.196 7.428 1.00 0.00 C ATOM 122 O THR A 39 -1.932 4.049 7.750 1.00 0.00 O ATOM 123 CB THR A 39 -4.147 2.592 9.466 1.00 0.00 C ATOM 124 OG1 THR A 39 -3.459 2.995 10.639 1.00 0.00 O ATOM 125 CG2 THR A 39 -5.129 1.482 9.846 1.00 0.00 C ATOM 0 H THR A 39 -1.898 1.979 10.108 1.00 0.00 H new ATOM 0 HA THR A 39 -3.556 1.268 7.859 1.00 0.00 H new ATOM 0 HB THR A 39 -4.698 3.425 9.029 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.392 2.237 11.256 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.841 1.861 10.579 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.666 1.151 8.957 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.581 0.642 10.273 1.00 0.00 H new ATOM 133 N PRO A 40 -3.374 3.233 6.233 1.00 0.00 N ATOM 134 CA PRO A 40 -3.094 4.252 5.230 1.00 0.00 C ATOM 135 C PRO A 40 -3.275 5.654 5.814 1.00 0.00 C ATOM 136 O PRO A 40 -2.392 6.495 5.683 1.00 0.00 O ATOM 137 CB PRO A 40 -4.023 3.963 4.048 1.00 0.00 C ATOM 138 CG PRO A 40 -5.131 3.103 4.649 1.00 0.00 C ATOM 139 CD PRO A 40 -4.432 2.349 5.776 1.00 0.00 C ATOM 0 HA PRO A 40 -2.058 4.220 4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.420 4.883 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.500 3.438 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.952 3.713 5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.553 2.420 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.126 2.117 6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.027 1.401 5.422 1.00 0.00 H new ATOM 147 N SER A 41 -4.380 5.881 6.527 1.00 0.00 N ATOM 148 CA SER A 41 -4.683 7.115 7.234 1.00 0.00 C ATOM 149 C SER A 41 -3.500 7.632 8.051 1.00 0.00 C ATOM 150 O SER A 41 -3.226 8.837 8.075 1.00 0.00 O ATOM 151 CB SER A 41 -5.885 6.841 8.147 1.00 0.00 C ATOM 152 OG SER A 41 -6.691 5.837 7.556 1.00 0.00 O ATOM 0 H SER A 41 -5.113 5.179 6.628 1.00 0.00 H new ATOM 0 HA SER A 41 -4.908 7.894 6.506 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.545 6.520 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.464 7.753 8.291 1.00 0.00 H new ATOM 0 HG SER A 41 -7.260 5.429 8.242 1.00 0.00 H new ATOM 158 N GLU A 42 -2.822 6.706 8.732 1.00 0.00 N ATOM 159 CA GLU A 42 -1.666 7.003 9.550 1.00 0.00 C ATOM 160 C GLU A 42 -0.621 7.641 8.642 1.00 0.00 C ATOM 161 O GLU A 42 -0.208 8.781 8.847 1.00 0.00 O ATOM 162 CB GLU A 42 -1.169 5.696 10.190 1.00 0.00 C ATOM 163 CG GLU A 42 -0.375 5.917 11.478 1.00 0.00 C ATOM 164 CD GLU A 42 -1.230 6.450 12.622 1.00 0.00 C ATOM 165 OE1 GLU A 42 -2.459 6.242 12.592 1.00 0.00 O ATOM 166 OE2 GLU A 42 -0.602 7.057 13.517 1.00 0.00 O ATOM 0 H GLU A 42 -3.072 5.717 8.724 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.894 7.696 10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.025 5.056 10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.544 5.163 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.083 4.976 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.437 6.617 11.282 1.00 0.00 H new ATOM 173 N ILE A 43 -0.256 6.936 7.572 1.00 0.00 N ATOM 174 CA ILE A 43 0.723 7.382 6.589 1.00 0.00 C ATOM 175 C ILE A 43 0.127 8.382 5.586 1.00 0.00 C ATOM 176 O ILE A 43 0.456 8.364 4.402 1.00 0.00 O ATOM 177 CB ILE A 43 1.429 6.169 5.954 1.00 0.00 C ATOM 178 CG1 ILE A 43 0.445 5.162 5.346 1.00 0.00 C ATOM 179 CG2 ILE A 43 2.290 5.494 7.026 1.00 0.00 C ATOM 180 CD1 ILE A 43 1.148 4.045 4.580 1.00 0.00 C ATOM 0 H ILE A 43 -0.644 6.016 7.362 1.00 0.00 H new ATOM 0 HA ILE A 43 1.501 7.955 7.094 1.00 0.00 H new ATOM 0 HB ILE A 43 2.048 6.526 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.161 4.727 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.236 5.685 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.798 4.632 6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.030 6.203 7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.655 5.166 7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.405 3.361 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.733 4.474 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.809 3.501 5.255 1.00 0.00 H new ATOM 192 N VAL A 44 -0.679 9.315 6.096 1.00 0.00 N ATOM 193 CA VAL A 44 -1.186 10.492 5.406 1.00 0.00 C ATOM 194 C VAL A 44 -1.183 11.625 6.432 1.00 0.00 C ATOM 195 O VAL A 44 -0.585 12.675 6.215 1.00 0.00 O ATOM 196 CB VAL A 44 -2.595 10.249 4.823 1.00 0.00 C ATOM 197 CG1 VAL A 44 -3.264 11.557 4.373 1.00 0.00 C ATOM 198 CG2 VAL A 44 -2.565 9.295 3.631 1.00 0.00 C ATOM 0 H VAL A 44 -1.012 9.262 7.059 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.559 10.743 4.550 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.173 9.803 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.253 11.340 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.360 12.229 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.655 12.032 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.577 9.153 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.940 9.716 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.157 8.334 3.944 1.00 0.00 H new ATOM 208 N ASN A 45 -1.844 11.415 7.574 1.00 0.00 N ATOM 209 CA ASN A 45 -2.034 12.472 8.561 1.00 0.00 C ATOM 210 C ASN A 45 -0.734 12.783 9.309 1.00 0.00 C ATOM 211 O ASN A 45 -0.535 12.351 10.442 1.00 0.00 O ATOM 212 CB ASN A 45 -3.165 12.103 9.526 1.00 0.00 C ATOM 213 CG ASN A 45 -4.531 12.152 8.846 1.00 0.00 C ATOM 214 OD1 ASN A 45 -5.214 13.169 8.892 1.00 0.00 O ATOM 215 ND2 ASN A 45 -4.947 11.064 8.205 1.00 0.00 N ATOM 0 H ASN A 45 -2.256 10.519 7.835 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.321 13.382 8.034 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.992 11.102 9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.157 12.788 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.853 11.063 7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.360 10.230 8.181 1.00 0.00 H new ATOM 222 N GLY A 46 0.137 13.574 8.682 1.00 0.00 N ATOM 223 CA GLY A 46 1.327 14.131 9.312 1.00 0.00 C ATOM 224 C GLY A 46 2.364 13.044 9.575 1.00 0.00 C ATOM 225 O GLY A 46 2.836 12.889 10.700 1.00 0.00 O ATOM 0 H GLY A 46 0.031 13.848 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.756 14.901 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.054 14.614 10.251 1.00 0.00 H new ATOM 229 N LYS A 47 2.718 12.299 8.523 1.00 0.00 N ATOM 230 CA LYS A 47 3.648 11.184 8.514 1.00 0.00 C ATOM 231 C LYS A 47 4.322 11.130 7.138 1.00 0.00 C ATOM 232 O LYS A 47 5.153 11.990 6.855 1.00 0.00 O ATOM 233 CB LYS A 47 2.939 9.890 8.921 1.00 0.00 C ATOM 234 CG LYS A 47 2.546 10.013 10.394 1.00 0.00 C ATOM 235 CD LYS A 47 2.287 8.671 11.058 1.00 0.00 C ATOM 236 CE LYS A 47 2.107 8.960 12.551 1.00 0.00 C ATOM 237 NZ LYS A 47 1.892 7.742 13.359 1.00 0.00 N ATOM 0 H LYS A 47 2.332 12.478 7.596 1.00 0.00 H new ATOM 0 HA LYS A 47 4.436 11.318 9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.056 9.728 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.595 9.032 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.339 10.531 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.651 10.630 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.397 8.197 10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.119 7.987 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.989 9.483 12.922 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.259 9.631 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.161 7.928 14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.889 7.471 13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.475 6.968 12.982 1.00 0.00 H new ATOM 251 N THR A 48 3.963 10.143 6.308 1.00 0.00 N ATOM 252 CA THR A 48 4.532 9.887 4.988 1.00 0.00 C ATOM 253 C THR A 48 4.256 11.026 4.012 1.00 0.00 C ATOM 254 O THR A 48 5.204 11.634 3.530 1.00 0.00 O ATOM 255 CB THR A 48 3.968 8.557 4.476 1.00 0.00 C ATOM 256 OG1 THR A 48 4.430 7.524 5.325 1.00 0.00 O ATOM 257 CG2 THR A 48 4.337 8.274 3.020 1.00 0.00 C ATOM 0 H THR A 48 3.234 9.473 6.554 1.00 0.00 H new ATOM 0 HA THR A 48 5.617 9.824 5.069 1.00 0.00 H new ATOM 0 HB THR A 48 2.880 8.612 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.214 6.654 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.909 7.319 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.944 9.067 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.422 8.234 2.921 1.00 0.00 H new ATOM 265 N ASP A 49 2.978 11.305 3.720 1.00 0.00 N ATOM 266 CA ASP A 49 2.541 12.404 2.854 1.00 0.00 C ATOM 267 C ASP A 49 3.411 13.644 3.064 1.00 0.00 C ATOM 268 O ASP A 49 4.006 14.189 2.139 1.00 0.00 O ATOM 269 CB ASP A 49 1.076 12.718 3.194 1.00 0.00 C ATOM 270 CG ASP A 49 0.672 14.144 2.833 1.00 0.00 C ATOM 271 OD1 ASP A 49 0.220 14.334 1.686 1.00 0.00 O ATOM 272 OD2 ASP A 49 0.830 15.012 3.723 1.00 0.00 O ATOM 0 H ASP A 49 2.201 10.757 4.090 1.00 0.00 H new ATOM 0 HA ASP A 49 2.636 12.112 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.428 12.018 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.914 12.559 4.260 1.00 0.00 H new ATOM 277 N THR A 50 3.476 14.056 4.324 1.00 0.00 N ATOM 278 CA THR A 50 4.092 15.290 4.755 1.00 0.00 C ATOM 279 C THR A 50 5.600 15.113 4.996 1.00 0.00 C ATOM 280 O THR A 50 6.291 16.087 5.287 1.00 0.00 O ATOM 281 CB THR A 50 3.339 15.729 6.023 1.00 0.00 C ATOM 282 OG1 THR A 50 2.053 15.126 6.085 1.00 0.00 O ATOM 283 CG2 THR A 50 3.188 17.249 6.092 1.00 0.00 C ATOM 0 H THR A 50 3.085 13.516 5.096 1.00 0.00 H new ATOM 0 HA THR A 50 4.019 16.060 3.987 1.00 0.00 H new ATOM 0 HB THR A 50 3.934 15.399 6.875 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.547 15.350 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.651 17.520 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.174 17.713 6.101 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.630 17.599 5.223 1.00 0.00 H new ATOM 291 N GLY A 51 6.101 13.876 4.917 1.00 0.00 N ATOM 292 CA GLY A 51 7.476 13.484 5.185 1.00 0.00 C ATOM 293 C GLY A 51 7.987 14.002 6.528 1.00 0.00 C ATOM 294 O GLY A 51 9.137 14.425 6.615 1.00 0.00 O ATOM 0 H GLY A 51 5.520 13.082 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.549 12.397 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.118 13.859 4.388 1.00 0.00 H new ATOM 298 N VAL A 52 7.154 13.978 7.580 1.00 0.00 N ATOM 299 CA VAL A 52 7.561 14.558 8.867 1.00 0.00 C ATOM 300 C VAL A 52 8.175 13.519 9.807 1.00 0.00 C ATOM 301 O VAL A 52 9.141 13.821 10.503 1.00 0.00 O ATOM 302 CB VAL A 52 6.435 15.363 9.539 1.00 0.00 C ATOM 303 CG1 VAL A 52 6.132 16.640 8.747 1.00 0.00 C ATOM 304 CG2 VAL A 52 5.154 14.553 9.736 1.00 0.00 C ATOM 0 H VAL A 52 6.218 13.574 7.567 1.00 0.00 H new ATOM 0 HA VAL A 52 8.351 15.274 8.639 1.00 0.00 H new ATOM 0 HB VAL A 52 6.801 15.628 10.531 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.333 17.193 9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.027 17.260 8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.820 16.376 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.399 15.177 10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.785 14.215 8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.363 13.689 10.367 1.00 0.00 H new ATOM 314 N LYS A 53 7.599 12.313 9.868 1.00 0.00 N ATOM 315 CA LYS A 53 8.100 11.222 10.697 1.00 0.00 C ATOM 316 C LYS A 53 8.854 10.180 9.854 1.00 0.00 C ATOM 317 O LYS A 53 10.079 10.138 9.935 1.00 0.00 O ATOM 318 CB LYS A 53 6.970 10.668 11.580 1.00 0.00 C ATOM 319 CG LYS A 53 6.689 11.585 12.777 1.00 0.00 C ATOM 320 CD LYS A 53 7.684 11.340 13.921 1.00 0.00 C ATOM 321 CE LYS A 53 7.378 12.296 15.079 1.00 0.00 C ATOM 322 NZ LYS A 53 8.203 12.007 16.273 1.00 0.00 N ATOM 0 H LYS A 53 6.764 12.069 9.336 1.00 0.00 H new ATOM 0 HA LYS A 53 8.853 11.594 11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.063 10.557 10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.240 9.674 11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.747 12.626 12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.673 11.417 13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.616 10.307 14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.704 11.493 13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.554 13.322 14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.323 12.221 15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.963 12.677 17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.017 11.036 16.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.210 12.104 16.031 1.00 0.00 H new ATOM 336 N PRO A 54 8.188 9.318 9.067 1.00 0.00 N ATOM 337 CA PRO A 54 8.885 8.343 8.249 1.00 0.00 C ATOM 338 C PRO A 54 9.501 9.014 7.017 1.00 0.00 C ATOM 339 O PRO A 54 8.781 9.450 6.122 1.00 0.00 O ATOM 340 CB PRO A 54 7.826 7.308 7.860 1.00 0.00 C ATOM 341 CG PRO A 54 6.541 8.132 7.820 1.00 0.00 C ATOM 342 CD PRO A 54 6.752 9.146 8.943 1.00 0.00 C ATOM 0 HA PRO A 54 9.714 7.876 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.043 6.851 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.765 6.499 8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.404 8.620 6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.659 7.515 7.993 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.265 10.093 8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.320 8.788 9.878 1.00 0.00 H new ATOM 350 N GLU A 55 10.833 9.067 6.953 1.00 0.00 N ATOM 351 CA GLU A 55 11.564 9.456 5.763 1.00 0.00 C ATOM 352 C GLU A 55 11.357 8.377 4.695 1.00 0.00 C ATOM 353 O GLU A 55 11.124 7.210 5.030 1.00 0.00 O ATOM 354 CB GLU A 55 13.056 9.569 6.108 1.00 0.00 C ATOM 355 CG GLU A 55 13.328 10.538 7.271 1.00 0.00 C ATOM 356 CD GLU A 55 14.815 10.632 7.597 1.00 0.00 C ATOM 357 OE1 GLU A 55 15.501 9.599 7.437 1.00 0.00 O ATOM 358 OE2 GLU A 55 15.237 11.732 8.013 1.00 0.00 O ATOM 0 H GLU A 55 11.436 8.836 7.743 1.00 0.00 H new ATOM 0 HA GLU A 55 11.209 10.417 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.440 8.582 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.603 9.904 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.949 11.528 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.783 10.207 8.155 1.00 0.00 H new ATOM 365 N ALA A 56 11.465 8.754 3.419 1.00 0.00 N ATOM 366 CA ALA A 56 11.392 7.801 2.322 1.00 0.00 C ATOM 367 C ALA A 56 12.531 6.770 2.424 1.00 0.00 C ATOM 368 O ALA A 56 13.527 7.005 3.106 1.00 0.00 O ATOM 369 CB ALA A 56 11.393 8.552 0.983 1.00 0.00 C ATOM 0 H ALA A 56 11.604 9.721 3.124 1.00 0.00 H new ATOM 0 HA ALA A 56 10.459 7.241 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.338 7.835 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.532 9.219 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.309 9.136 0.894 1.00 0.00 H new ATOM 375 N GLY A 57 12.395 5.618 1.760 1.00 0.00 N ATOM 376 CA GLY A 57 13.431 4.589 1.716 1.00 0.00 C ATOM 377 C GLY A 57 13.318 3.532 2.821 1.00 0.00 C ATOM 378 O GLY A 57 14.120 2.601 2.852 1.00 0.00 O ATOM 0 H GLY A 57 11.555 5.374 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.391 4.091 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.407 5.069 1.787 1.00 0.00 H new ATOM 382 N GLN A 58 12.333 3.640 3.718 1.00 0.00 N ATOM 383 CA GLN A 58 12.128 2.704 4.821 1.00 0.00 C ATOM 384 C GLN A 58 11.091 1.649 4.438 1.00 0.00 C ATOM 385 O GLN A 58 10.171 1.951 3.677 1.00 0.00 O ATOM 386 CB GLN A 58 11.672 3.480 6.059 1.00 0.00 C ATOM 387 CG GLN A 58 12.778 4.419 6.552 1.00 0.00 C ATOM 388 CD GLN A 58 12.333 5.138 7.815 1.00 0.00 C ATOM 389 OE1 GLN A 58 12.650 4.720 8.924 1.00 0.00 O ATOM 390 NE2 GLN A 58 11.566 6.210 7.665 1.00 0.00 N ATOM 0 H GLN A 58 11.646 4.394 3.695 1.00 0.00 H new ATOM 0 HA GLN A 58 13.065 2.192 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.778 4.057 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.401 2.782 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.686 3.850 6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.020 5.146 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.319 6.534 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.223 6.711 8.485 1.00 0.00 H new ATOM 399 N ARG A 59 11.221 0.424 4.965 1.00 0.00 N ATOM 400 CA ARG A 59 10.187 -0.590 4.807 1.00 0.00 C ATOM 401 C ARG A 59 9.106 -0.422 5.869 1.00 0.00 C ATOM 402 O ARG A 59 9.422 -0.207 7.036 1.00 0.00 O ATOM 403 CB ARG A 59 10.713 -2.023 4.961 1.00 0.00 C ATOM 404 CG ARG A 59 11.511 -2.621 3.792 1.00 0.00 C ATOM 405 CD ARG A 59 11.252 -4.141 3.805 1.00 0.00 C ATOM 406 NE ARG A 59 11.887 -4.865 2.693 1.00 0.00 N ATOM 407 CZ ARG A 59 11.422 -6.023 2.182 1.00 0.00 C ATOM 408 NH1 ARG A 59 10.368 -6.646 2.712 1.00 0.00 N ATOM 409 NH2 ARG A 59 12.006 -6.579 1.116 1.00 0.00 N ATOM 0 H ARG A 59 12.032 0.118 5.502 1.00 0.00 H new ATOM 0 HA ARG A 59 9.804 -0.447 3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.344 -2.055 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.860 -2.674 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.195 -2.183 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.575 -2.409 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.614 -4.553 4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.177 -4.316 3.772 1.00 0.00 H new ATOM 0 HE ARG A 59 12.732 -4.466 2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.894 -6.247 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.036 -7.521 2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.811 -6.127 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.647 -7.455 0.737 1.00 0.00 H new ATOM 423 N ILE A 60 7.850 -0.599 5.455 1.00 0.00 N ATOM 424 CA ILE A 60 6.684 -0.757 6.320 1.00 0.00 C ATOM 425 C ILE A 60 5.710 -1.653 5.553 1.00 0.00 C ATOM 426 O ILE A 60 5.971 -1.957 4.384 1.00 0.00 O ATOM 427 CB ILE A 60 6.027 0.594 6.682 1.00 0.00 C ATOM 428 CG1 ILE A 60 5.386 1.268 5.454 1.00 0.00 C ATOM 429 CG2 ILE A 60 7.018 1.534 7.388 1.00 0.00 C ATOM 430 CD1 ILE A 60 4.598 2.530 5.818 1.00 0.00 C ATOM 0 H ILE A 60 7.609 -0.638 4.465 1.00 0.00 H new ATOM 0 HA ILE A 60 6.976 -1.197 7.273 1.00 0.00 H new ATOM 0 HB ILE A 60 5.223 0.379 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.166 1.525 4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.721 0.559 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.521 2.474 7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.371 1.066 8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.866 1.729 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.168 2.964 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.799 2.272 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.266 3.254 6.286 1.00 0.00 H new ATOM 442 N ARG A 61 4.590 -2.054 6.168 1.00 0.00 N ATOM 443 CA ARG A 61 3.496 -2.678 5.441 1.00 0.00 C ATOM 444 C ARG A 61 2.274 -1.782 5.616 1.00 0.00 C ATOM 445 O ARG A 61 1.865 -1.536 6.748 1.00 0.00 O ATOM 446 CB ARG A 61 3.235 -4.114 5.922 1.00 0.00 C ATOM 447 CG ARG A 61 4.507 -4.836 6.387 1.00 0.00 C ATOM 448 CD ARG A 61 4.221 -6.315 6.668 1.00 0.00 C ATOM 449 NE ARG A 61 5.135 -6.828 7.694 1.00 0.00 N ATOM 450 CZ ARG A 61 5.849 -7.962 7.712 1.00 0.00 C ATOM 451 NH1 ARG A 61 5.922 -8.771 6.651 1.00 0.00 N ATOM 452 NH2 ARG A 61 6.516 -8.247 8.835 1.00 0.00 N ATOM 0 H ARG A 61 4.425 -1.954 7.170 1.00 0.00 H new ATOM 0 HA ARG A 61 3.745 -2.771 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.518 -4.091 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.777 -4.684 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.280 -4.749 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.893 -4.358 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.189 -6.436 6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.332 -6.894 5.751 1.00 0.00 H new ATOM 0 HE ARG A 61 5.243 -6.233 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.425 -8.533 5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.475 -9.627 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.468 -7.612 9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.073 -9.099 8.895 1.00 0.00 H new ATOM 466 N VAL A 62 1.689 -1.271 4.530 1.00 0.00 N ATOM 467 CA VAL A 62 0.396 -0.615 4.658 1.00 0.00 C ATOM 468 C VAL A 62 -0.648 -1.724 4.761 1.00 0.00 C ATOM 469 O VAL A 62 -0.508 -2.756 4.107 1.00 0.00 O ATOM 470 CB VAL A 62 0.119 0.382 3.518 1.00 0.00 C ATOM 471 CG1 VAL A 62 0.062 -0.266 2.133 1.00 0.00 C ATOM 472 CG2 VAL A 62 -1.198 1.130 3.767 1.00 0.00 C ATOM 0 H VAL A 62 2.076 -1.298 3.587 1.00 0.00 H new ATOM 0 HA VAL A 62 0.367 0.007 5.552 1.00 0.00 H new ATOM 0 HB VAL A 62 0.964 1.071 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.137 0.498 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.016 -0.748 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.734 -1.011 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.378 1.831 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.019 0.414 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.134 1.677 4.708 1.00 0.00 H new ATOM 482 N GLY A 63 -1.675 -1.543 5.586 1.00 0.00 N ATOM 483 CA GLY A 63 -2.788 -2.469 5.665 1.00 0.00 C ATOM 484 C GLY A 63 -4.076 -1.667 5.702 1.00 0.00 C ATOM 485 O GLY A 63 -4.229 -0.804 6.562 1.00 0.00 O ATOM 0 H GLY A 63 -1.754 -0.746 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.784 -3.141 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.702 -3.090 6.557 1.00 0.00 H new ATOM 489 N GLY A 64 -4.977 -1.905 4.747 1.00 0.00 N ATOM 490 CA GLY A 64 -6.162 -1.080 4.595 1.00 0.00 C ATOM 491 C GLY A 64 -7.089 -1.670 3.543 1.00 0.00 C ATOM 492 O GLY A 64 -6.855 -2.785 3.065 1.00 0.00 O ATOM 0 H GLY A 64 -4.902 -2.664 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.685 -1.005 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.874 -0.068 4.309 1.00 0.00 H new ATOM 496 N MET A 65 -8.140 -0.919 3.204 1.00 0.00 N ATOM 497 CA MET A 65 -9.186 -1.354 2.294 1.00 0.00 C ATOM 498 C MET A 65 -8.991 -0.754 0.907 1.00 0.00 C ATOM 499 O MET A 65 -8.681 0.428 0.756 1.00 0.00 O ATOM 500 CB MET A 65 -10.582 -1.146 2.894 1.00 0.00 C ATOM 501 CG MET A 65 -10.918 0.320 3.178 1.00 0.00 C ATOM 502 SD MET A 65 -12.439 0.642 4.103 1.00 0.00 S ATOM 503 CE MET A 65 -12.033 -0.179 5.660 1.00 0.00 C ATOM 0 H MET A 65 -8.284 0.024 3.564 1.00 0.00 H new ATOM 0 HA MET A 65 -9.105 -2.432 2.155 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.326 -1.554 2.210 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.657 -1.713 3.822 1.00 0.00 H new ATOM 0 HG2 MET A 65 -10.086 0.759 3.728 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.982 0.845 2.225 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.687 0.193 6.449 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.171 -1.255 5.551 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.995 0.029 5.921 1.00 0.00 H new ATOM 513 N VAL A 66 -9.124 -1.615 -0.099 1.00 0.00 N ATOM 514 CA VAL A 66 -8.951 -1.286 -1.503 1.00 0.00 C ATOM 515 C VAL A 66 -10.158 -0.517 -2.046 1.00 0.00 C ATOM 516 O VAL A 66 -11.260 -1.064 -2.103 1.00 0.00 O ATOM 517 CB VAL A 66 -8.750 -2.589 -2.290 1.00 0.00 C ATOM 518 CG1 VAL A 66 -8.635 -2.289 -3.787 1.00 0.00 C ATOM 519 CG2 VAL A 66 -7.504 -3.339 -1.800 1.00 0.00 C ATOM 0 H VAL A 66 -9.364 -2.595 0.051 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.078 -0.643 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.618 -3.227 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.493 -3.220 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.547 -1.801 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.783 -1.631 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.384 -4.258 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.624 -2.710 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.618 -3.582 -0.744 1.00 0.00 H new ATOM 529 N THR A 67 -9.943 0.714 -2.520 1.00 0.00 N ATOM 530 CA THR A 67 -10.946 1.460 -3.261 1.00 0.00 C ATOM 531 C THR A 67 -11.319 0.676 -4.525 1.00 0.00 C ATOM 532 O THR A 67 -10.467 0.409 -5.372 1.00 0.00 O ATOM 533 CB THR A 67 -10.403 2.857 -3.592 1.00 0.00 C ATOM 534 OG1 THR A 67 -9.937 3.452 -2.403 1.00 0.00 O ATOM 535 CG2 THR A 67 -11.483 3.745 -4.218 1.00 0.00 C ATOM 0 H THR A 67 -9.064 1.216 -2.396 1.00 0.00 H new ATOM 0 HA THR A 67 -11.849 1.589 -2.664 1.00 0.00 H new ATOM 0 HB THR A 67 -9.594 2.755 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.514 4.311 -2.611 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.064 4.726 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.841 3.287 -5.140 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.314 3.854 -3.521 1.00 0.00 H new ATOM 543 N VAL A 68 -12.596 0.293 -4.625 1.00 0.00 N ATOM 544 CA VAL A 68 -13.127 -0.619 -5.634 1.00 0.00 C ATOM 545 C VAL A 68 -12.650 -0.288 -7.053 1.00 0.00 C ATOM 546 O VAL A 68 -12.288 -1.187 -7.804 1.00 0.00 O ATOM 547 CB VAL A 68 -14.664 -0.699 -5.521 1.00 0.00 C ATOM 548 CG1 VAL A 68 -15.370 0.637 -5.794 1.00 0.00 C ATOM 549 CG2 VAL A 68 -15.237 -1.777 -6.452 1.00 0.00 C ATOM 0 H VAL A 68 -13.312 0.624 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.723 -1.611 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.861 -0.965 -4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.448 0.506 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.029 1.382 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.135 0.973 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.322 -1.808 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.977 -1.542 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.819 -2.748 -6.185 1.00 0.00 H new ATOM 559 N GLY A 69 -12.656 0.996 -7.422 1.00 0.00 N ATOM 560 CA GLY A 69 -12.285 1.455 -8.751 1.00 0.00 C ATOM 561 C GLY A 69 -11.038 2.327 -8.687 1.00 0.00 C ATOM 562 O GLY A 69 -11.089 3.504 -9.039 1.00 0.00 O ATOM 0 H GLY A 69 -12.924 1.752 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.104 0.598 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.108 2.019 -9.190 1.00 0.00 H new ATOM 566 N SER A 70 -9.915 1.771 -8.224 1.00 0.00 N ATOM 567 CA SER A 70 -8.640 2.489 -8.223 1.00 0.00 C ATOM 568 C SER A 70 -7.448 1.646 -8.669 1.00 0.00 C ATOM 569 O SER A 70 -6.348 2.177 -8.787 1.00 0.00 O ATOM 570 CB SER A 70 -8.398 3.104 -6.850 1.00 0.00 C ATOM 571 OG SER A 70 -9.524 3.886 -6.520 1.00 0.00 O ATOM 0 H SER A 70 -9.864 0.825 -7.845 1.00 0.00 H new ATOM 0 HA SER A 70 -8.724 3.276 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.244 2.324 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.497 3.718 -6.860 1.00 0.00 H new ATOM 0 HG SER A 70 -9.330 4.417 -5.719 1.00 0.00 H new ATOM 577 N MET A 71 -7.646 0.353 -8.924 1.00 0.00 N ATOM 578 CA MET A 71 -6.626 -0.506 -9.499 1.00 0.00 C ATOM 579 C MET A 71 -6.412 -0.071 -10.953 1.00 0.00 C ATOM 580 O MET A 71 -7.300 -0.279 -11.777 1.00 0.00 O ATOM 581 CB MET A 71 -7.140 -1.950 -9.382 1.00 0.00 C ATOM 582 CG MET A 71 -6.439 -3.069 -10.165 1.00 0.00 C ATOM 583 SD MET A 71 -4.782 -3.609 -9.683 1.00 0.00 S ATOM 584 CE MET A 71 -3.806 -2.259 -10.338 1.00 0.00 C ATOM 0 H MET A 71 -8.527 -0.126 -8.734 1.00 0.00 H new ATOM 0 HA MET A 71 -5.665 -0.437 -8.989 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.111 -2.222 -8.327 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.188 -1.949 -9.682 1.00 0.00 H new ATOM 0 HG2 MET A 71 -7.088 -3.944 -10.131 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.386 -2.752 -11.207 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.778 -2.591 -10.485 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.223 -1.938 -11.292 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.821 -1.425 -9.636 1.00 0.00 H new ATOM 594 N VAL A 72 -5.261 0.530 -11.282 1.00 0.00 N ATOM 595 CA VAL A 72 -4.914 0.870 -12.660 1.00 0.00 C ATOM 596 C VAL A 72 -3.567 0.234 -13.009 1.00 0.00 C ATOM 597 O VAL A 72 -2.716 0.046 -12.137 1.00 0.00 O ATOM 598 CB VAL A 72 -4.973 2.388 -12.905 1.00 0.00 C ATOM 599 CG1 VAL A 72 -6.377 2.932 -12.610 1.00 0.00 C ATOM 600 CG2 VAL A 72 -3.943 3.166 -12.084 1.00 0.00 C ATOM 0 H VAL A 72 -4.549 0.792 -10.600 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.656 0.455 -13.342 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.732 2.534 -13.958 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.396 4.007 -12.790 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.101 2.442 -13.261 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.633 2.734 -11.569 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.034 4.230 -12.300 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.120 2.995 -11.022 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.940 2.828 -12.344 1.00 0.00 H new ATOM 610 N ARG A 73 -3.402 -0.153 -14.277 1.00 0.00 N ATOM 611 CA ARG A 73 -2.299 -0.984 -14.734 1.00 0.00 C ATOM 612 C ARG A 73 -1.771 -0.486 -16.074 1.00 0.00 C ATOM 613 O ARG A 73 -2.556 -0.022 -16.902 1.00 0.00 O ATOM 614 CB ARG A 73 -2.792 -2.438 -14.845 1.00 0.00 C ATOM 615 CG ARG A 73 -3.882 -2.641 -15.905 1.00 0.00 C ATOM 616 CD ARG A 73 -4.455 -4.059 -15.812 1.00 0.00 C ATOM 617 NE ARG A 73 -5.531 -4.254 -16.795 1.00 0.00 N ATOM 618 CZ ARG A 73 -6.313 -5.343 -16.872 1.00 0.00 C ATOM 619 NH1 ARG A 73 -6.117 -6.364 -16.029 1.00 0.00 N ATOM 620 NH2 ARG A 73 -7.285 -5.405 -17.789 1.00 0.00 N ATOM 0 H ARG A 73 -4.046 0.110 -15.023 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.478 -0.932 -14.019 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.945 -3.082 -15.080 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.176 -2.757 -13.876 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.678 -1.910 -15.763 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.468 -2.473 -16.899 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.663 -4.788 -15.984 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.838 -4.236 -14.807 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.696 -3.506 -17.469 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.375 -6.314 -15.331 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.709 -7.192 -16.085 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.432 -4.625 -18.430 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.879 -6.232 -17.847 1.00 0.00 H new ATOM 634 N ASP A 74 -0.464 -0.619 -16.302 1.00 0.00 N ATOM 635 CA ASP A 74 0.136 -0.304 -17.589 1.00 0.00 C ATOM 636 C ASP A 74 -0.153 -1.429 -18.583 1.00 0.00 C ATOM 637 O ASP A 74 -0.166 -2.596 -18.188 1.00 0.00 O ATOM 638 CB ASP A 74 1.662 -0.236 -17.462 1.00 0.00 C ATOM 639 CG ASP A 74 2.220 1.066 -16.924 1.00 0.00 C ATOM 640 OD1 ASP A 74 1.492 1.776 -16.201 1.00 0.00 O ATOM 641 OD2 ASP A 74 3.397 1.306 -17.273 1.00 0.00 O ATOM 0 H ASP A 74 0.201 -0.946 -15.601 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.277 0.648 -17.922 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.990 -1.047 -16.812 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.098 -0.419 -18.444 1.00 0.00 H new ATOM 646 N PRO A 75 -0.259 -1.128 -19.888 1.00 0.00 N ATOM 647 CA PRO A 75 -0.277 -2.153 -20.922 1.00 0.00 C ATOM 648 C PRO A 75 1.063 -2.880 -20.989 1.00 0.00 C ATOM 649 O PRO A 75 1.123 -4.013 -21.463 1.00 0.00 O ATOM 650 CB PRO A 75 -0.623 -1.423 -22.220 1.00 0.00 C ATOM 651 CG PRO A 75 -0.046 -0.025 -21.984 1.00 0.00 C ATOM 652 CD PRO A 75 -0.251 0.199 -20.483 1.00 0.00 C ATOM 0 HA PRO A 75 -1.011 -2.933 -20.720 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.173 -1.905 -23.088 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.699 -1.393 -22.393 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.008 0.025 -22.257 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.565 0.728 -22.577 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.548 0.811 -20.065 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.188 0.722 -20.289 1.00 0.00 H new ATOM 660 N ASN A 76 2.123 -2.266 -20.451 1.00 0.00 N ATOM 661 CA ASN A 76 3.389 -2.937 -20.196 1.00 0.00 C ATOM 662 C ASN A 76 3.132 -4.257 -19.451 1.00 0.00 C ATOM 663 O ASN A 76 3.869 -5.218 -19.637 1.00 0.00 O ATOM 664 CB ASN A 76 4.331 -2.022 -19.391 1.00 0.00 C ATOM 665 CG ASN A 76 4.702 -0.747 -20.147 1.00 0.00 C ATOM 666 OD1 ASN A 76 5.165 -0.819 -21.280 1.00 0.00 O ATOM 667 ND2 ASN A 76 4.505 0.434 -19.564 1.00 0.00 N ATOM 0 H ASN A 76 2.120 -1.282 -20.181 1.00 0.00 H new ATOM 0 HA ASN A 76 3.875 -3.161 -21.146 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.853 -1.755 -18.448 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.240 -2.570 -19.144 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.740 1.293 -20.061 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.119 0.479 -18.621 1.00 0.00 H new ATOM 674 N SER A 77 2.074 -4.317 -18.627 1.00 0.00 N ATOM 675 CA SER A 77 1.613 -5.520 -17.937 1.00 0.00 C ATOM 676 C SER A 77 2.607 -5.972 -16.867 1.00 0.00 C ATOM 677 O SER A 77 2.719 -7.159 -16.575 1.00 0.00 O ATOM 678 CB SER A 77 1.275 -6.638 -18.934 1.00 0.00 C ATOM 679 OG SER A 77 0.341 -6.173 -19.892 1.00 0.00 O ATOM 0 H SER A 77 1.501 -3.499 -18.420 1.00 0.00 H new ATOM 0 HA SER A 77 0.689 -5.271 -17.415 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.183 -6.976 -19.434 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.865 -7.497 -18.403 1.00 0.00 H new ATOM 0 HG SER A 77 0.741 -5.446 -20.413 1.00 0.00 H new ATOM 685 N LEU A 78 3.312 -5.002 -16.285 1.00 0.00 N ATOM 686 CA LEU A 78 4.385 -5.195 -15.314 1.00 0.00 C ATOM 687 C LEU A 78 4.566 -3.973 -14.403 1.00 0.00 C ATOM 688 O LEU A 78 5.506 -3.915 -13.616 1.00 0.00 O ATOM 689 CB LEU A 78 5.660 -5.610 -16.049 1.00 0.00 C ATOM 690 CG LEU A 78 6.041 -4.637 -17.172 1.00 0.00 C ATOM 691 CD1 LEU A 78 6.962 -3.548 -16.641 1.00 0.00 C ATOM 692 CD2 LEU A 78 6.677 -5.409 -18.323 1.00 0.00 C ATOM 0 H LEU A 78 3.142 -4.017 -16.488 1.00 0.00 H new ATOM 0 HA LEU A 78 4.118 -6.004 -14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.481 -5.674 -15.335 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.524 -6.607 -16.468 1.00 0.00 H new ATOM 0 HG LEU A 78 5.145 -4.145 -17.550 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.223 -2.866 -17.450 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.454 -2.996 -15.850 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.869 -4.001 -16.242 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.947 -4.717 -19.120 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.572 -5.920 -17.968 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.967 -6.143 -18.705 1.00 0.00 H new ATOM 704 N HIS A 79 3.666 -2.991 -14.506 1.00 0.00 N ATOM 705 CA HIS A 79 3.609 -1.814 -13.672 1.00 0.00 C ATOM 706 C HIS A 79 2.132 -1.633 -13.364 1.00 0.00 C ATOM 707 O HIS A 79 1.295 -1.684 -14.270 1.00 0.00 O ATOM 708 CB HIS A 79 4.160 -0.601 -14.421 1.00 0.00 C ATOM 709 CG HIS A 79 5.657 -0.586 -14.581 1.00 0.00 C ATOM 710 ND1 HIS A 79 6.588 -0.925 -13.624 1.00 0.00 N ATOM 711 CD2 HIS A 79 6.338 -0.198 -15.704 1.00 0.00 C ATOM 712 CE1 HIS A 79 7.804 -0.749 -14.165 1.00 0.00 C ATOM 713 NE2 HIS A 79 7.706 -0.307 -15.430 1.00 0.00 N ATOM 0 H HIS A 79 2.928 -3.007 -15.210 1.00 0.00 H new ATOM 0 HA HIS A 79 4.208 -1.916 -12.767 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.702 -0.563 -15.410 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.856 0.303 -13.894 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.899 0.133 -16.634 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.736 -0.937 -13.652 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.476 -0.093 -16.064 1.00 0.00 H new ATOM 721 N VAL A 80 1.816 -1.517 -12.080 1.00 0.00 N ATOM 722 CA VAL A 80 0.467 -1.544 -11.565 1.00 0.00 C ATOM 723 C VAL A 80 0.441 -0.640 -10.342 1.00 0.00 C ATOM 724 O VAL A 80 1.398 -0.618 -9.571 1.00 0.00 O ATOM 725 CB VAL A 80 0.045 -2.994 -11.239 1.00 0.00 C ATOM 726 CG1 VAL A 80 -0.830 -3.567 -12.349 1.00 0.00 C ATOM 727 CG2 VAL A 80 1.207 -3.971 -11.029 1.00 0.00 C ATOM 0 H VAL A 80 2.520 -1.398 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.251 -1.181 -12.300 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.494 -2.906 -10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.115 -4.589 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.727 -2.957 -12.457 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.275 -3.566 -13.287 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.813 -4.962 -10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.812 -4.017 -11.934 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.824 -3.630 -10.198 1.00 0.00 H new ATOM 737 N GLN A 81 -0.619 0.145 -10.163 1.00 0.00 N ATOM 738 CA GLN A 81 -0.725 0.987 -8.988 1.00 0.00 C ATOM 739 C GLN A 81 -2.178 1.074 -8.553 1.00 0.00 C ATOM 740 O GLN A 81 -3.092 0.870 -9.355 1.00 0.00 O ATOM 741 CB GLN A 81 -0.103 2.356 -9.266 1.00 0.00 C ATOM 742 CG GLN A 81 -0.719 2.985 -10.512 1.00 0.00 C ATOM 743 CD GLN A 81 -0.358 4.455 -10.632 1.00 0.00 C ATOM 744 OE1 GLN A 81 0.793 4.845 -10.469 1.00 0.00 O ATOM 745 NE2 GLN A 81 -1.353 5.292 -10.899 1.00 0.00 N ATOM 0 H GLN A 81 -1.404 0.211 -10.811 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.166 0.551 -8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.256 3.011 -8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.974 2.251 -9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.375 2.452 -11.398 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.803 2.878 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.299 4.934 -11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.171 6.293 -10.974 1.00 0.00 H new ATOM 754 N PHE A 82 -2.385 1.341 -7.269 1.00 0.00 N ATOM 755 CA PHE A 82 -3.706 1.282 -6.676 1.00 0.00 C ATOM 756 C PHE A 82 -3.777 2.217 -5.480 1.00 0.00 C ATOM 757 O PHE A 82 -2.755 2.557 -4.884 1.00 0.00 O ATOM 758 CB PHE A 82 -4.040 -0.174 -6.320 1.00 0.00 C ATOM 759 CG PHE A 82 -3.071 -0.846 -5.359 1.00 0.00 C ATOM 760 CD1 PHE A 82 -3.145 -0.587 -3.977 1.00 0.00 C ATOM 761 CD2 PHE A 82 -2.156 -1.805 -5.837 1.00 0.00 C ATOM 762 CE1 PHE A 82 -2.366 -1.334 -3.074 1.00 0.00 C ATOM 763 CE2 PHE A 82 -1.345 -2.517 -4.936 1.00 0.00 C ATOM 764 CZ PHE A 82 -1.467 -2.300 -3.554 1.00 0.00 C ATOM 0 H PHE A 82 -1.645 1.602 -6.618 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.460 1.622 -7.386 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.038 -0.204 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.076 -0.757 -7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.802 0.187 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.078 -1.993 -6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.460 -1.164 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.626 -3.233 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.870 -2.875 -2.861 1.00 0.00 H new ATOM 774 N ALA A 83 -4.995 2.637 -5.141 1.00 0.00 N ATOM 775 CA ALA A 83 -5.261 3.464 -3.981 1.00 0.00 C ATOM 776 C ALA A 83 -5.841 2.579 -2.880 1.00 0.00 C ATOM 777 O ALA A 83 -6.727 1.764 -3.151 1.00 0.00 O ATOM 778 CB ALA A 83 -6.211 4.596 -4.362 1.00 0.00 C ATOM 0 H ALA A 83 -5.832 2.405 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.343 3.922 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.408 5.215 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.756 5.205 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.148 4.177 -4.729 1.00 0.00 H new ATOM 784 N VAL A 84 -5.309 2.706 -1.664 1.00 0.00 N ATOM 785 CA VAL A 84 -5.797 1.990 -0.486 1.00 0.00 C ATOM 786 C VAL A 84 -6.124 3.018 0.594 1.00 0.00 C ATOM 787 O VAL A 84 -5.335 3.931 0.826 1.00 0.00 O ATOM 788 CB VAL A 84 -4.765 0.932 -0.039 1.00 0.00 C ATOM 789 CG1 VAL A 84 -4.750 0.682 1.475 1.00 0.00 C ATOM 790 CG2 VAL A 84 -5.080 -0.403 -0.723 1.00 0.00 C ATOM 0 H VAL A 84 -4.516 3.317 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.709 1.437 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.789 1.326 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.000 -0.073 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.508 1.609 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.731 0.332 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.353 -1.153 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.081 -0.729 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.030 -0.278 -1.805 1.00 0.00 H new ATOM 800 N HIS A 85 -7.284 2.877 1.241 1.00 0.00 N ATOM 801 CA HIS A 85 -7.779 3.819 2.235 1.00 0.00 C ATOM 802 C HIS A 85 -8.260 3.074 3.478 1.00 0.00 C ATOM 803 O HIS A 85 -8.011 1.877 3.631 1.00 0.00 O ATOM 804 CB HIS A 85 -8.881 4.693 1.612 1.00 0.00 C ATOM 805 CG HIS A 85 -10.222 4.017 1.452 1.00 0.00 C ATOM 806 ND1 HIS A 85 -11.353 4.283 2.190 1.00 0.00 N ATOM 807 CD2 HIS A 85 -10.542 3.038 0.551 1.00 0.00 C ATOM 808 CE1 HIS A 85 -12.334 3.489 1.734 1.00 0.00 C ATOM 809 NE2 HIS A 85 -11.891 2.711 0.734 1.00 0.00 N ATOM 0 H HIS A 85 -7.913 2.090 1.082 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.973 4.480 2.554 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.011 5.581 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.544 5.032 0.633 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -11.431 4.962 2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.873 2.596 -0.173 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -13.343 3.478 2.119 1.00 0.00 H new ATOM 817 N ASP A 86 -8.951 3.799 4.358 1.00 0.00 N ATOM 818 CA ASP A 86 -9.639 3.295 5.528 1.00 0.00 C ATOM 819 C ASP A 86 -10.995 3.995 5.566 1.00 0.00 C ATOM 820 O ASP A 86 -11.198 4.970 4.836 1.00 0.00 O ATOM 821 CB ASP A 86 -8.807 3.656 6.759 1.00 0.00 C ATOM 822 CG ASP A 86 -9.363 3.025 8.019 1.00 0.00 C ATOM 823 OD1 ASP A 86 -10.283 3.657 8.581 1.00 0.00 O ATOM 824 OD2 ASP A 86 -8.895 1.925 8.369 1.00 0.00 O ATOM 0 H ASP A 86 -9.046 4.810 4.260 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.775 2.214 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.778 3.327 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.782 4.739 6.876 1.00 0.00 H new ATOM 829 N SER A 87 -11.903 3.551 6.431 1.00 0.00 N ATOM 830 CA SER A 87 -13.119 4.282 6.743 1.00 0.00 C ATOM 831 C SER A 87 -12.780 5.718 7.163 1.00 0.00 C ATOM 832 O SER A 87 -13.550 6.636 6.895 1.00 0.00 O ATOM 833 CB SER A 87 -13.853 3.545 7.864 1.00 0.00 C ATOM 834 OG SER A 87 -14.034 2.191 7.496 1.00 0.00 O ATOM 0 H SER A 87 -11.812 2.669 6.936 1.00 0.00 H new ATOM 0 HA SER A 87 -13.761 4.336 5.864 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.282 3.608 8.790 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.819 4.015 8.052 1.00 0.00 H new ATOM 0 HG SER A 87 -14.503 1.717 8.214 1.00 0.00 H new ATOM 840 N LEU A 88 -11.612 5.918 7.784 1.00 0.00 N ATOM 841 CA LEU A 88 -11.108 7.234 8.157 1.00 0.00 C ATOM 842 C LEU A 88 -10.799 8.141 6.954 1.00 0.00 C ATOM 843 O LEU A 88 -10.514 9.321 7.143 1.00 0.00 O ATOM 844 CB LEU A 88 -9.897 7.082 9.090 1.00 0.00 C ATOM 845 CG LEU A 88 -10.237 6.386 10.423 1.00 0.00 C ATOM 846 CD1 LEU A 88 -8.945 5.933 11.112 1.00 0.00 C ATOM 847 CD2 LEU A 88 -11.018 7.307 11.367 1.00 0.00 C ATOM 0 H LEU A 88 -10.985 5.156 8.043 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.908 7.746 8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.122 6.512 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.482 8.068 9.299 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.867 5.526 10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.188 5.441 12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.413 5.235 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -8.314 6.800 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -11.237 6.777 12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.422 8.192 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -11.952 7.608 10.892 1.00 0.00 H new ATOM 859 N GLY A 89 -10.858 7.627 5.721 1.00 0.00 N ATOM 860 CA GLY A 89 -10.817 8.444 4.515 1.00 0.00 C ATOM 861 C GLY A 89 -9.460 9.096 4.252 1.00 0.00 C ATOM 862 O GLY A 89 -9.391 10.121 3.578 1.00 0.00 O ATOM 0 H GLY A 89 -10.936 6.627 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.083 7.824 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.575 9.224 4.591 1.00 0.00 H new ATOM 866 N GLY A 90 -8.376 8.484 4.732 1.00 0.00 N ATOM 867 CA GLY A 90 -7.021 8.917 4.436 1.00 0.00 C ATOM 868 C GLY A 90 -6.435 7.994 3.374 1.00 0.00 C ATOM 869 O GLY A 90 -5.670 7.087 3.692 1.00 0.00 O ATOM 0 H GLY A 90 -8.421 7.668 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.022 9.948 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.410 8.891 5.338 1.00 0.00 H new ATOM 873 N GLU A 91 -6.840 8.197 2.119 1.00 0.00 N ATOM 874 CA GLU A 91 -6.411 7.365 1.007 1.00 0.00 C ATOM 875 C GLU A 91 -4.917 7.570 0.733 1.00 0.00 C ATOM 876 O GLU A 91 -4.462 8.708 0.628 1.00 0.00 O ATOM 877 CB GLU A 91 -7.288 7.669 -0.216 1.00 0.00 C ATOM 878 CG GLU A 91 -7.024 6.701 -1.374 1.00 0.00 C ATOM 879 CD GLU A 91 -8.099 6.824 -2.446 1.00 0.00 C ATOM 880 OE1 GLU A 91 -8.204 7.930 -3.015 1.00 0.00 O ATOM 881 OE2 GLU A 91 -8.789 5.807 -2.678 1.00 0.00 O ATOM 0 H GLU A 91 -7.477 8.947 1.850 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.537 6.311 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.338 7.613 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.102 8.690 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.046 6.908 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.996 5.678 -0.998 1.00 0.00 H new ATOM 888 N ILE A 92 -4.167 6.470 0.617 1.00 0.00 N ATOM 889 CA ILE A 92 -2.763 6.448 0.233 1.00 0.00 C ATOM 890 C ILE A 92 -2.660 5.768 -1.133 1.00 0.00 C ATOM 891 O ILE A 92 -3.455 4.883 -1.457 1.00 0.00 O ATOM 892 CB ILE A 92 -1.914 5.737 1.317 1.00 0.00 C ATOM 893 CG1 ILE A 92 -0.728 6.570 1.838 1.00 0.00 C ATOM 894 CG2 ILE A 92 -1.426 4.334 0.922 1.00 0.00 C ATOM 895 CD1 ILE A 92 0.145 7.288 0.809 1.00 0.00 C ATOM 0 H ILE A 92 -4.541 5.538 0.796 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.365 7.460 0.153 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.627 5.622 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.121 7.319 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.085 5.910 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.840 3.910 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.285 3.694 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.807 4.403 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.938 7.833 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.586 6.556 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.466 7.988 0.239 1.00 0.00 H new ATOM 907 N LEU A 93 -1.662 6.168 -1.923 1.00 0.00 N ATOM 908 CA LEU A 93 -1.363 5.599 -3.228 1.00 0.00 C ATOM 909 C LEU A 93 -0.190 4.624 -3.114 1.00 0.00 C ATOM 910 O LEU A 93 0.868 4.974 -2.587 1.00 0.00 O ATOM 911 CB LEU A 93 -1.045 6.742 -4.212 1.00 0.00 C ATOM 912 CG LEU A 93 -2.080 6.882 -5.335 1.00 0.00 C ATOM 913 CD1 LEU A 93 -2.064 8.305 -5.905 1.00 0.00 C ATOM 914 CD2 LEU A 93 -1.715 5.899 -6.454 1.00 0.00 C ATOM 0 H LEU A 93 -1.024 6.919 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.223 5.044 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.988 7.681 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.063 6.570 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.073 6.671 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.804 8.387 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.301 9.016 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.075 8.525 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.440 5.983 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.720 6.132 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.725 4.882 -6.062 1.00 0.00 H new ATOM 926 N VAL A 94 -0.375 3.408 -3.629 1.00 0.00 N ATOM 927 CA VAL A 94 0.618 2.349 -3.642 1.00 0.00 C ATOM 928 C VAL A 94 0.968 2.051 -5.098 1.00 0.00 C ATOM 929 O VAL A 94 0.083 1.998 -5.953 1.00 0.00 O ATOM 930 CB VAL A 94 0.043 1.107 -2.946 1.00 0.00 C ATOM 931 CG1 VAL A 94 1.091 -0.008 -2.856 1.00 0.00 C ATOM 932 CG2 VAL A 94 -0.474 1.445 -1.541 1.00 0.00 C ATOM 0 H VAL A 94 -1.255 3.130 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 94 1.520 2.648 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.794 0.757 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.657 -0.876 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.412 -0.288 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.950 0.345 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.875 0.545 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.345 1.834 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.260 2.197 -1.614 1.00 0.00 H new ATOM 942 N THR A 95 2.259 1.866 -5.373 1.00 0.00 N ATOM 943 CA THR A 95 2.798 1.544 -6.681 1.00 0.00 C ATOM 944 C THR A 95 3.454 0.166 -6.594 1.00 0.00 C ATOM 945 O THR A 95 3.985 -0.178 -5.538 1.00 0.00 O ATOM 946 CB THR A 95 3.810 2.634 -7.072 1.00 0.00 C ATOM 947 OG1 THR A 95 4.606 3.033 -5.966 1.00 0.00 O ATOM 948 CG2 THR A 95 3.085 3.889 -7.565 1.00 0.00 C ATOM 0 H THR A 95 2.982 1.941 -4.657 1.00 0.00 H new ATOM 0 HA THR A 95 2.021 1.512 -7.445 1.00 0.00 H new ATOM 0 HB THR A 95 4.437 2.204 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.638 2.308 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.817 4.649 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.479 3.641 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.442 4.272 -6.773 1.00 0.00 H new ATOM 956 N TYR A 96 3.391 -0.623 -7.669 1.00 0.00 N ATOM 957 CA TYR A 96 3.815 -2.015 -7.699 1.00 0.00 C ATOM 958 C TYR A 96 4.398 -2.295 -9.091 1.00 0.00 C ATOM 959 O TYR A 96 3.765 -1.976 -10.096 1.00 0.00 O ATOM 960 CB TYR A 96 2.577 -2.866 -7.368 1.00 0.00 C ATOM 961 CG TYR A 96 2.827 -4.317 -7.016 1.00 0.00 C ATOM 962 CD1 TYR A 96 3.197 -5.236 -8.013 1.00 0.00 C ATOM 963 CD2 TYR A 96 2.547 -4.779 -5.718 1.00 0.00 C ATOM 964 CE1 TYR A 96 3.323 -6.603 -7.710 1.00 0.00 C ATOM 965 CE2 TYR A 96 2.648 -6.148 -5.426 1.00 0.00 C ATOM 966 CZ TYR A 96 3.088 -7.052 -6.404 1.00 0.00 C ATOM 967 OH TYR A 96 3.341 -8.346 -6.064 1.00 0.00 O ATOM 0 H TYR A 96 3.032 -0.297 -8.566 1.00 0.00 H new ATOM 0 HA TYR A 96 4.591 -2.254 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.055 -2.398 -6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.903 -2.834 -8.224 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.386 -4.890 -9.018 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.255 -4.082 -4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.600 -7.305 -8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.385 -6.508 -4.442 1.00 0.00 H new ATOM 0 HH TYR A 96 3.638 -8.387 -5.131 1.00 0.00 H new ATOM 977 N ASP A 97 5.615 -2.835 -9.175 1.00 0.00 N ATOM 978 CA ASP A 97 6.392 -2.950 -10.405 1.00 0.00 C ATOM 979 C ASP A 97 6.683 -4.409 -10.781 1.00 0.00 C ATOM 980 O ASP A 97 7.806 -4.758 -11.139 1.00 0.00 O ATOM 981 CB ASP A 97 7.675 -2.113 -10.252 1.00 0.00 C ATOM 982 CG ASP A 97 8.554 -2.551 -9.080 1.00 0.00 C ATOM 983 OD1 ASP A 97 7.974 -2.985 -8.057 1.00 0.00 O ATOM 984 OD2 ASP A 97 9.785 -2.382 -9.205 1.00 0.00 O ATOM 0 H ASP A 97 6.100 -3.215 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 97 5.807 -2.558 -11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.253 -2.178 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.402 -1.066 -10.120 1.00 0.00 H new ATOM 989 N ASP A 98 5.639 -5.242 -10.753 1.00 0.00 N ATOM 990 CA ASP A 98 5.606 -6.608 -11.263 1.00 0.00 C ATOM 991 C ASP A 98 4.124 -6.972 -11.397 1.00 0.00 C ATOM 992 O ASP A 98 3.264 -6.146 -11.092 1.00 0.00 O ATOM 993 CB ASP A 98 6.370 -7.561 -10.322 1.00 0.00 C ATOM 994 CG ASP A 98 6.664 -8.935 -10.921 1.00 0.00 C ATOM 995 OD1 ASP A 98 6.214 -9.186 -12.062 1.00 0.00 O ATOM 996 OD2 ASP A 98 7.329 -9.724 -10.219 1.00 0.00 O ATOM 0 H ASP A 98 4.745 -4.961 -10.350 1.00 0.00 H new ATOM 0 HA ASP A 98 6.103 -6.698 -12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.312 -7.093 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.790 -7.693 -9.408 1.00 0.00 H new ATOM 1001 N LEU A 99 3.792 -8.180 -11.839 1.00 0.00 N ATOM 1002 CA LEU A 99 2.420 -8.653 -11.844 1.00 0.00 C ATOM 1003 C LEU A 99 1.963 -8.960 -10.414 1.00 0.00 C ATOM 1004 O LEU A 99 2.559 -9.777 -9.717 1.00 0.00 O ATOM 1005 CB LEU A 99 2.254 -9.877 -12.750 1.00 0.00 C ATOM 1006 CG LEU A 99 2.424 -9.538 -14.243 1.00 0.00 C ATOM 1007 CD1 LEU A 99 3.857 -9.789 -14.727 1.00 0.00 C ATOM 1008 CD2 LEU A 99 1.455 -10.374 -15.087 1.00 0.00 C ATOM 0 H LEU A 99 4.466 -8.854 -12.202 1.00 0.00 H new ATOM 0 HA LEU A 99 1.788 -7.863 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.985 -10.635 -12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.267 -10.311 -12.590 1.00 0.00 H new ATOM 0 HG LEU A 99 2.204 -8.477 -14.361 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.933 -9.537 -15.785 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.548 -9.169 -14.156 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.110 -10.840 -14.585 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.584 -10.126 -16.141 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.661 -11.433 -14.935 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.430 -10.157 -14.786 1.00 0.00 H new ATOM 1020 N LEU A 100 0.875 -8.314 -9.990 1.00 0.00 N ATOM 1021 CA LEU A 100 0.166 -8.622 -8.751 1.00 0.00 C ATOM 1022 C LEU A 100 -0.331 -10.079 -8.779 1.00 0.00 C ATOM 1023 O LEU A 100 -0.492 -10.626 -9.868 1.00 0.00 O ATOM 1024 CB LEU A 100 -1.030 -7.659 -8.649 1.00 0.00 C ATOM 1025 CG LEU A 100 -0.579 -6.236 -8.290 1.00 0.00 C ATOM 1026 CD1 LEU A 100 -1.569 -5.202 -8.828 1.00 0.00 C ATOM 1027 CD2 LEU A 100 -0.453 -6.085 -6.774 1.00 0.00 C ATOM 0 H LEU A 100 0.455 -7.545 -10.512 1.00 0.00 H new ATOM 0 HA LEU A 100 0.826 -8.504 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.567 -7.643 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.727 -8.022 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 100 0.394 -6.064 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.230 -4.201 -8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.631 -5.288 -9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.553 -5.379 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.132 -5.071 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.419 -6.280 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.282 -6.796 -6.397 1.00 0.00 H new ATOM 1039 N PRO A 101 -0.605 -10.700 -7.614 1.00 0.00 N ATOM 1040 CA PRO A 101 -1.030 -12.094 -7.516 1.00 0.00 C ATOM 1041 C PRO A 101 -2.395 -12.318 -8.186 1.00 0.00 C ATOM 1042 O PRO A 101 -2.460 -12.561 -9.389 1.00 0.00 O ATOM 1043 CB PRO A 101 -1.002 -12.421 -6.015 1.00 0.00 C ATOM 1044 CG PRO A 101 -1.197 -11.061 -5.339 1.00 0.00 C ATOM 1045 CD PRO A 101 -0.445 -10.126 -6.285 1.00 0.00 C ATOM 0 HA PRO A 101 -0.370 -12.773 -8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.793 -13.119 -5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.057 -12.880 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.251 -10.795 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -0.782 -11.043 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.852 -9.116 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.608 -10.057 -6.012 1.00 0.00 H new ATOM 1053 N ASP A 102 -3.505 -12.227 -7.447 1.00 0.00 N ATOM 1054 CA ASP A 102 -4.851 -12.467 -7.966 1.00 0.00 C ATOM 1055 C ASP A 102 -5.334 -11.250 -8.762 1.00 0.00 C ATOM 1056 O ASP A 102 -6.450 -10.785 -8.561 1.00 0.00 O ATOM 1057 CB ASP A 102 -5.798 -12.714 -6.778 1.00 0.00 C ATOM 1058 CG ASP A 102 -5.257 -13.736 -5.793 1.00 0.00 C ATOM 1059 OD1 ASP A 102 -4.268 -13.366 -5.119 1.00 0.00 O ATOM 1060 OD2 ASP A 102 -5.831 -14.843 -5.743 1.00 0.00 O ATOM 0 H ASP A 102 -3.491 -11.981 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.840 -13.334 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.973 -11.772 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.763 -13.054 -7.154 1.00 0.00 H new ATOM 1065 N LEU A 103 -4.470 -10.669 -9.598 1.00 0.00 N ATOM 1066 CA LEU A 103 -4.629 -9.376 -10.251 1.00 0.00 C ATOM 1067 C LEU A 103 -5.009 -8.238 -9.291 1.00 0.00 C ATOM 1068 O LEU A 103 -5.379 -7.168 -9.763 1.00 0.00 O ATOM 1069 CB LEU A 103 -5.545 -9.471 -11.486 1.00 0.00 C ATOM 1070 CG LEU A 103 -7.058 -9.330 -11.210 1.00 0.00 C ATOM 1071 CD1 LEU A 103 -7.616 -8.131 -11.980 1.00 0.00 C ATOM 1072 CD2 LEU A 103 -7.818 -10.596 -11.619 1.00 0.00 C ATOM 0 H LEU A 103 -3.590 -11.119 -9.849 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.641 -9.095 -10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.250 -8.697 -12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.371 -10.431 -11.972 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.192 -9.179 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.684 -8.036 -11.782 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.105 -7.223 -11.659 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.457 -8.279 -13.048 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.880 -10.465 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.675 -10.778 -12.684 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.440 -11.447 -11.052 1.00 0.00 H new ATOM 1084 N PHE A 104 -4.899 -8.447 -7.969 1.00 0.00 N ATOM 1085 CA PHE A 104 -5.430 -7.557 -6.943 1.00 0.00 C ATOM 1086 C PHE A 104 -6.948 -7.424 -7.110 1.00 0.00 C ATOM 1087 O PHE A 104 -7.448 -6.447 -7.655 1.00 0.00 O ATOM 1088 CB PHE A 104 -4.668 -6.229 -6.958 1.00 0.00 C ATOM 1089 CG PHE A 104 -5.092 -5.169 -5.965 1.00 0.00 C ATOM 1090 CD1 PHE A 104 -4.431 -5.052 -4.729 1.00 0.00 C ATOM 1091 CD2 PHE A 104 -5.938 -4.133 -6.400 1.00 0.00 C ATOM 1092 CE1 PHE A 104 -4.601 -3.894 -3.954 1.00 0.00 C ATOM 1093 CE2 PHE A 104 -6.073 -2.961 -5.646 1.00 0.00 C ATOM 1094 CZ PHE A 104 -5.419 -2.849 -4.411 1.00 0.00 C ATOM 0 H PHE A 104 -4.425 -9.263 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.274 -7.973 -5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.613 -6.445 -6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.751 -5.805 -7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.795 -5.851 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.488 -4.242 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.100 -3.807 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.679 -2.146 -6.014 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.545 -1.959 -3.812 1.00 0.00 H new ATOM 1104 N ARG A 105 -7.682 -8.432 -6.629 1.00 0.00 N ATOM 1105 CA ARG A 105 -9.137 -8.400 -6.550 1.00 0.00 C ATOM 1106 C ARG A 105 -9.556 -7.191 -5.710 1.00 0.00 C ATOM 1107 O ARG A 105 -9.211 -7.115 -4.532 1.00 0.00 O ATOM 1108 CB ARG A 105 -9.646 -9.701 -5.907 1.00 0.00 C ATOM 1109 CG ARG A 105 -9.364 -10.920 -6.794 1.00 0.00 C ATOM 1110 CD ARG A 105 -9.528 -12.247 -6.039 1.00 0.00 C ATOM 1111 NE ARG A 105 -10.902 -12.472 -5.562 1.00 0.00 N ATOM 1112 CZ ARG A 105 -11.919 -12.908 -6.321 1.00 0.00 C ATOM 1113 NH1 ARG A 105 -11.745 -13.070 -7.637 1.00 0.00 N ATOM 1114 NH2 ARG A 105 -13.103 -13.182 -5.761 1.00 0.00 N ATOM 0 H ARG A 105 -7.274 -9.300 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.567 -8.315 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -9.168 -9.839 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.718 -9.623 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.039 -10.907 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.350 -10.852 -7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.237 -13.069 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.847 -12.261 -5.188 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.096 -12.282 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.841 -12.862 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.516 -13.401 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.233 -13.059 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.876 -13.513 -6.338 1.00 0.00 H new ATOM 1128 N GLU A 106 -10.268 -6.240 -6.310 1.00 0.00 N ATOM 1129 CA GLU A 106 -10.626 -4.991 -5.670 1.00 0.00 C ATOM 1130 C GLU A 106 -11.766 -5.184 -4.661 1.00 0.00 C ATOM 1131 O GLU A 106 -12.395 -6.240 -4.603 1.00 0.00 O ATOM 1132 CB GLU A 106 -10.980 -3.949 -6.742 1.00 0.00 C ATOM 1133 CG GLU A 106 -9.915 -3.822 -7.849 1.00 0.00 C ATOM 1134 CD GLU A 106 -10.161 -4.709 -9.072 1.00 0.00 C ATOM 1135 OE1 GLU A 106 -10.761 -5.794 -8.893 1.00 0.00 O ATOM 1136 OE2 GLU A 106 -9.749 -4.280 -10.171 1.00 0.00 O ATOM 0 H GLU A 106 -10.614 -6.323 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.770 -4.626 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -11.935 -4.216 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -11.114 -2.978 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.869 -2.782 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.940 -4.068 -7.428 1.00 0.00 H new ATOM 1143 N GLY A 107 -12.048 -4.142 -3.871 1.00 0.00 N ATOM 1144 CA GLY A 107 -13.182 -4.125 -2.957 1.00 0.00 C ATOM 1145 C GLY A 107 -13.048 -5.167 -1.846 1.00 0.00 C ATOM 1146 O GLY A 107 -14.000 -5.882 -1.541 1.00 0.00 O ATOM 0 H GLY A 107 -11.491 -3.288 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.273 -3.134 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.099 -4.309 -3.516 1.00 0.00 H new ATOM 1150 N GLN A 108 -11.873 -5.225 -1.219 1.00 0.00 N ATOM 1151 CA GLN A 108 -11.577 -6.041 -0.055 1.00 0.00 C ATOM 1152 C GLN A 108 -10.481 -5.320 0.726 1.00 0.00 C ATOM 1153 O GLN A 108 -10.014 -4.265 0.295 1.00 0.00 O ATOM 1154 CB GLN A 108 -11.121 -7.436 -0.507 1.00 0.00 C ATOM 1155 CG GLN A 108 -9.846 -7.369 -1.363 1.00 0.00 C ATOM 1156 CD GLN A 108 -9.408 -8.740 -1.860 1.00 0.00 C ATOM 1157 OE1 GLN A 108 -8.265 -9.147 -1.676 1.00 0.00 O ATOM 1158 NE2 GLN A 108 -10.316 -9.472 -2.496 1.00 0.00 N ATOM 0 H GLN A 108 -11.070 -4.678 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.454 -6.177 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.939 -8.060 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -11.918 -7.912 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -10.019 -6.714 -2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -9.042 -6.924 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.259 -9.108 -2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.071 -10.398 -2.846 1.00 0.00 H new ATOM 1167 N GLY A 109 -10.045 -5.897 1.843 1.00 0.00 N ATOM 1168 CA GLY A 109 -8.857 -5.434 2.535 1.00 0.00 C ATOM 1169 C GLY A 109 -7.656 -6.225 2.044 1.00 0.00 C ATOM 1170 O GLY A 109 -7.803 -7.384 1.670 1.00 0.00 O ATOM 0 H GLY A 109 -10.505 -6.692 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.706 -4.370 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.976 -5.560 3.611 1.00 0.00 H new ATOM 1174 N ILE A 110 -6.471 -5.615 2.038 1.00 0.00 N ATOM 1175 CA ILE A 110 -5.225 -6.332 1.795 1.00 0.00 C ATOM 1176 C ILE A 110 -4.138 -5.696 2.656 1.00 0.00 C ATOM 1177 O ILE A 110 -4.328 -4.599 3.192 1.00 0.00 O ATOM 1178 CB ILE A 110 -4.838 -6.366 0.303 1.00 0.00 C ATOM 1179 CG1 ILE A 110 -4.521 -4.976 -0.268 1.00 0.00 C ATOM 1180 CG2 ILE A 110 -5.877 -7.061 -0.585 1.00 0.00 C ATOM 1181 CD1 ILE A 110 -3.106 -4.975 -0.842 1.00 0.00 C ATOM 0 H ILE A 110 -6.351 -4.615 2.201 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.353 -7.378 2.074 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.927 -6.964 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.241 -4.717 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.609 -4.221 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.538 -7.047 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.003 -8.093 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -6.830 -6.537 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.879 -3.989 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.393 -5.216 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.035 -5.719 -1.635 1.00 0.00 H new ATOM 1193 N VAL A 111 -3.002 -6.386 2.782 1.00 0.00 N ATOM 1194 CA VAL A 111 -1.803 -5.844 3.393 1.00 0.00 C ATOM 1195 C VAL A 111 -0.698 -5.864 2.340 1.00 0.00 C ATOM 1196 O VAL A 111 -0.554 -6.855 1.621 1.00 0.00 O ATOM 1197 CB VAL A 111 -1.448 -6.600 4.683 1.00 0.00 C ATOM 1198 CG1 VAL A 111 -2.520 -6.364 5.753 1.00 0.00 C ATOM 1199 CG2 VAL A 111 -1.295 -8.108 4.469 1.00 0.00 C ATOM 0 H VAL A 111 -2.896 -7.347 2.457 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.954 -4.813 3.712 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.485 -6.207 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.254 -6.906 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.586 -5.298 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.483 -6.719 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.044 -8.586 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.231 -8.519 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.500 -8.294 3.747 1.00 0.00 H new ATOM 1209 N ALA A 112 0.023 -4.749 2.212 1.00 0.00 N ATOM 1210 CA ALA A 112 0.981 -4.495 1.147 1.00 0.00 C ATOM 1211 C ALA A 112 2.297 -4.013 1.737 1.00 0.00 C ATOM 1212 O ALA A 112 2.328 -2.970 2.388 1.00 0.00 O ATOM 1213 CB ALA A 112 0.410 -3.461 0.178 1.00 0.00 C ATOM 0 H ALA A 112 -0.050 -3.975 2.872 1.00 0.00 H new ATOM 0 HA ALA A 112 1.169 -5.418 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.130 -3.273 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.517 -3.839 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.210 -2.533 0.713 1.00 0.00 H new ATOM 1219 N GLN A 113 3.373 -4.771 1.516 1.00 0.00 N ATOM 1220 CA GLN A 113 4.692 -4.481 2.039 1.00 0.00 C ATOM 1221 C GLN A 113 5.638 -4.172 0.887 1.00 0.00 C ATOM 1222 O GLN A 113 5.567 -4.768 -0.191 1.00 0.00 O ATOM 1223 CB GLN A 113 5.168 -5.686 2.855 1.00 0.00 C ATOM 1224 CG GLN A 113 6.648 -5.599 3.276 1.00 0.00 C ATOM 1225 CD GLN A 113 7.214 -6.864 3.915 1.00 0.00 C ATOM 1226 OE1 GLN A 113 8.326 -6.829 4.437 1.00 0.00 O ATOM 1227 NE2 GLN A 113 6.520 -7.996 3.825 1.00 0.00 N ATOM 0 H GLN A 113 3.341 -5.622 0.954 1.00 0.00 H new ATOM 0 HA GLN A 113 4.668 -3.607 2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 113 4.549 -5.777 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.018 -6.593 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.246 -5.355 2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 113 6.762 -4.773 3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 113 5.599 -7.996 3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 113 6.909 -8.863 4.194 1.00 0.00 H new ATOM 1236 N GLY A 114 6.560 -3.256 1.164 1.00 0.00 N ATOM 1237 CA GLY A 114 7.693 -2.954 0.325 1.00 0.00 C ATOM 1238 C GLY A 114 8.420 -1.820 0.998 1.00 0.00 C ATOM 1239 O GLY A 114 8.741 -1.946 2.178 1.00 0.00 O ATOM 0 H GLY A 114 6.529 -2.689 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 114 8.341 -3.824 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.371 -2.671 -0.677 1.00 0.00 H new ATOM 1243 N VAL A 115 8.651 -0.726 0.279 1.00 0.00 N ATOM 1244 CA VAL A 115 9.474 0.363 0.764 1.00 0.00 C ATOM 1245 C VAL A 115 8.845 1.685 0.352 1.00 0.00 C ATOM 1246 O VAL A 115 8.219 1.787 -0.702 1.00 0.00 O ATOM 1247 CB VAL A 115 10.916 0.178 0.247 1.00 0.00 C ATOM 1248 CG1 VAL A 115 11.003 0.211 -1.285 1.00 0.00 C ATOM 1249 CG2 VAL A 115 11.894 1.203 0.828 1.00 0.00 C ATOM 0 H VAL A 115 8.271 -0.575 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 115 9.529 0.366 1.853 1.00 0.00 H new ATOM 0 HB VAL A 115 11.208 -0.813 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 115 12.040 0.076 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.393 -0.591 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.638 1.171 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 115 12.891 1.022 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.571 2.208 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 115 11.917 1.110 1.914 1.00 0.00 H new ATOM 1259 N LEU A 116 8.995 2.703 1.194 1.00 0.00 N ATOM 1260 CA LEU A 116 8.611 4.056 0.843 1.00 0.00 C ATOM 1261 C LEU A 116 9.462 4.496 -0.342 1.00 0.00 C ATOM 1262 O LEU A 116 10.676 4.619 -0.195 1.00 0.00 O ATOM 1263 CB LEU A 116 8.851 4.974 2.045 1.00 0.00 C ATOM 1264 CG LEU A 116 7.705 4.994 3.061 1.00 0.00 C ATOM 1265 CD1 LEU A 116 6.597 5.881 2.511 1.00 0.00 C ATOM 1266 CD2 LEU A 116 7.113 3.622 3.388 1.00 0.00 C ATOM 0 H LEU A 116 9.384 2.609 2.132 1.00 0.00 H new ATOM 0 HA LEU A 116 7.556 4.105 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.764 4.660 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.019 5.989 1.685 1.00 0.00 H new ATOM 0 HG LEU A 116 8.127 5.370 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.769 5.910 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.980 6.890 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.247 5.479 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.309 3.737 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.718 3.170 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.890 2.980 3.804 1.00 0.00 H new ATOM 1278 N GLY A 117 8.842 4.701 -1.506 1.00 0.00 N ATOM 1279 CA GLY A 117 9.572 4.995 -2.724 1.00 0.00 C ATOM 1280 C GLY A 117 9.592 6.498 -2.932 1.00 0.00 C ATOM 1281 O GLY A 117 10.385 7.211 -2.317 1.00 0.00 O ATOM 0 H GLY A 117 7.829 4.667 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.589 4.610 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.101 4.503 -3.575 1.00 0.00 H new ATOM 1285 N GLU A 118 8.699 6.989 -3.790 1.00 0.00 N ATOM 1286 CA GLU A 118 8.629 8.402 -4.095 1.00 0.00 C ATOM 1287 C GLU A 118 7.907 9.132 -2.962 1.00 0.00 C ATOM 1288 O GLU A 118 6.719 9.429 -3.088 1.00 0.00 O ATOM 1289 CB GLU A 118 7.958 8.607 -5.455 1.00 0.00 C ATOM 1290 CG GLU A 118 8.111 10.069 -5.875 1.00 0.00 C ATOM 1291 CD GLU A 118 7.323 10.345 -7.148 1.00 0.00 C ATOM 1292 OE1 GLU A 118 6.075 10.281 -7.061 1.00 0.00 O ATOM 1293 OE2 GLU A 118 7.966 10.569 -8.193 1.00 0.00 O ATOM 0 H GLU A 118 8.013 6.418 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 118 9.631 8.826 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.411 7.953 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 118 6.902 8.341 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.761 10.722 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.164 10.299 -6.036 1.00 0.00 H new ATOM 1300 N ASP A 119 8.652 9.372 -1.874 1.00 0.00 N ATOM 1301 CA ASP A 119 8.364 10.213 -0.714 1.00 0.00 C ATOM 1302 C ASP A 119 6.898 10.636 -0.627 1.00 0.00 C ATOM 1303 O ASP A 119 6.534 11.790 -0.839 1.00 0.00 O ATOM 1304 CB ASP A 119 9.332 11.405 -0.710 1.00 0.00 C ATOM 1305 CG ASP A 119 9.311 12.160 0.613 1.00 0.00 C ATOM 1306 OD1 ASP A 119 9.151 11.479 1.649 1.00 0.00 O ATOM 1307 OD2 ASP A 119 9.516 13.391 0.566 1.00 0.00 O ATOM 0 H ASP A 119 9.568 8.933 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 119 8.526 9.625 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 119 10.343 11.050 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 119 9.070 12.086 -1.519 1.00 0.00 H new ATOM 1312 N GLY A 120 6.052 9.636 -0.383 1.00 0.00 N ATOM 1313 CA GLY A 120 4.610 9.761 -0.490 1.00 0.00 C ATOM 1314 C GLY A 120 4.031 8.437 -0.979 1.00 0.00 C ATOM 1315 O GLY A 120 3.205 7.828 -0.303 1.00 0.00 O ATOM 0 H GLY A 120 6.360 8.705 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.182 10.024 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.352 10.563 -1.182 1.00 0.00 H new ATOM 1319 N LYS A 121 4.486 7.975 -2.148 1.00 0.00 N ATOM 1320 CA LYS A 121 4.044 6.711 -2.724 1.00 0.00 C ATOM 1321 C LYS A 121 4.833 5.549 -2.121 1.00 0.00 C ATOM 1322 O LYS A 121 6.045 5.633 -1.896 1.00 0.00 O ATOM 1323 CB LYS A 121 4.181 6.708 -4.257 1.00 0.00 C ATOM 1324 CG LYS A 121 2.860 7.020 -4.975 1.00 0.00 C ATOM 1325 CD LYS A 121 2.315 8.439 -4.739 1.00 0.00 C ATOM 1326 CE LYS A 121 3.289 9.544 -5.168 1.00 0.00 C ATOM 1327 NZ LYS A 121 3.722 9.426 -6.574 1.00 0.00 N ATOM 0 H LYS A 121 5.171 8.471 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 121 2.988 6.589 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.931 7.442 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.544 5.733 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.002 6.874 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.109 6.299 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 121 1.380 8.557 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.083 8.560 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.814 10.514 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.166 9.517 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.756 9.316 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.270 8.596 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.446 10.283 -7.095 1.00 0.00 H new ATOM 1341 N LEU A 122 4.126 4.442 -1.887 1.00 0.00 N ATOM 1342 CA LEU A 122 4.721 3.223 -1.377 1.00 0.00 C ATOM 1343 C LEU A 122 5.082 2.363 -2.581 1.00 0.00 C ATOM 1344 O LEU A 122 4.203 2.054 -3.384 1.00 0.00 O ATOM 1345 CB LEU A 122 3.736 2.483 -0.474 1.00 0.00 C ATOM 1346 CG LEU A 122 2.996 3.380 0.526 1.00 0.00 C ATOM 1347 CD1 LEU A 122 2.266 2.453 1.487 1.00 0.00 C ATOM 1348 CD2 LEU A 122 3.891 4.324 1.325 1.00 0.00 C ATOM 0 H LEU A 122 3.121 4.374 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 122 5.606 3.448 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.002 1.973 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 122 4.275 1.713 0.077 1.00 0.00 H new ATOM 0 HG LEU A 122 2.331 4.030 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.722 3.046 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.564 1.831 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.988 1.816 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.279 4.917 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 122 4.612 3.743 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 122 4.422 4.987 0.642 1.00 0.00 H new ATOM 1360 N ALA A 123 6.344 1.972 -2.734 1.00 0.00 N ATOM 1361 CA ALA A 123 6.706 0.974 -3.725 1.00 0.00 C ATOM 1362 C ALA A 123 6.539 -0.383 -3.047 1.00 0.00 C ATOM 1363 O ALA A 123 7.416 -0.816 -2.298 1.00 0.00 O ATOM 1364 CB ALA A 123 8.141 1.209 -4.204 1.00 0.00 C ATOM 0 H ALA A 123 7.126 2.331 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 123 6.075 1.027 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 123 8.404 0.456 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.218 2.201 -4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.824 1.137 -3.357 1.00 0.00 H new ATOM 1370 N ALA A 124 5.380 -1.014 -3.243 1.00 0.00 N ATOM 1371 CA ALA A 124 5.029 -2.276 -2.613 1.00 0.00 C ATOM 1372 C ALA A 124 5.249 -3.435 -3.580 1.00 0.00 C ATOM 1373 O ALA A 124 5.167 -3.264 -4.792 1.00 0.00 O ATOM 1374 CB ALA A 124 3.590 -2.229 -2.111 1.00 0.00 C ATOM 0 H ALA A 124 4.650 -0.651 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 124 5.679 -2.438 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.337 -3.179 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.485 -1.425 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.918 -2.049 -2.950 1.00 0.00 H new ATOM 1380 N THR A 125 5.507 -4.622 -3.034 1.00 0.00 N ATOM 1381 CA THR A 125 5.634 -5.850 -3.812 1.00 0.00 C ATOM 1382 C THR A 125 5.139 -7.075 -3.030 1.00 0.00 C ATOM 1383 O THR A 125 4.423 -7.916 -3.581 1.00 0.00 O ATOM 1384 CB THR A 125 7.040 -6.003 -4.411 1.00 0.00 C ATOM 1385 OG1 THR A 125 7.072 -7.146 -5.243 1.00 0.00 O ATOM 1386 CG2 THR A 125 8.138 -6.122 -3.351 1.00 0.00 C ATOM 0 H THR A 125 5.635 -4.758 -2.031 1.00 0.00 H new ATOM 0 HA THR A 125 4.968 -5.776 -4.671 1.00 0.00 H new ATOM 0 HB THR A 125 7.242 -5.096 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.968 -7.245 -5.628 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.106 -6.227 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.141 -5.227 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 125 7.949 -6.996 -2.728 1.00 0.00 H new ATOM 1394 N GLU A 126 5.434 -7.161 -1.729 1.00 0.00 N ATOM 1395 CA GLU A 126 4.973 -8.257 -0.903 1.00 0.00 C ATOM 1396 C GLU A 126 3.541 -7.904 -0.484 1.00 0.00 C ATOM 1397 O GLU A 126 3.314 -7.455 0.639 1.00 0.00 O ATOM 1398 CB GLU A 126 5.930 -8.416 0.295 1.00 0.00 C ATOM 1399 CG GLU A 126 7.301 -9.016 -0.060 1.00 0.00 C ATOM 1400 CD GLU A 126 8.262 -8.972 1.129 1.00 0.00 C ATOM 1401 OE1 GLU A 126 7.888 -9.505 2.197 1.00 0.00 O ATOM 1402 OE2 GLU A 126 9.341 -8.347 0.990 1.00 0.00 O ATOM 0 H GLU A 126 5.997 -6.472 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 126 4.967 -9.215 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 126 6.083 -7.439 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.453 -9.049 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.173 -10.048 -0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 126 7.733 -8.468 -0.897 1.00 0.00 H new ATOM 1409 N VAL A 127 2.577 -8.059 -1.400 1.00 0.00 N ATOM 1410 CA VAL A 127 1.156 -7.973 -1.072 1.00 0.00 C ATOM 1411 C VAL A 127 0.658 -9.350 -0.659 1.00 0.00 C ATOM 1412 O VAL A 127 0.886 -10.326 -1.371 1.00 0.00 O ATOM 1413 CB VAL A 127 0.292 -7.370 -2.196 1.00 0.00 C ATOM 1414 CG1 VAL A 127 0.667 -5.907 -2.456 1.00 0.00 C ATOM 1415 CG2 VAL A 127 0.322 -8.185 -3.493 1.00 0.00 C ATOM 0 H VAL A 127 2.763 -8.247 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 127 1.053 -7.276 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 127 -0.737 -7.409 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 127 0.041 -5.507 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.512 -5.325 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.714 -5.847 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.308 -7.703 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.346 -8.242 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -0.050 -9.191 -3.299 1.00 0.00 H new ATOM 1425 N LEU A 128 -0.015 -9.427 0.490 1.00 0.00 N ATOM 1426 CA LEU A 128 -0.655 -10.641 0.955 1.00 0.00 C ATOM 1427 C LEU A 128 -2.148 -10.342 1.005 1.00 0.00 C ATOM 1428 O LEU A 128 -2.604 -9.567 1.849 1.00 0.00 O ATOM 1429 CB LEU A 128 -0.145 -11.084 2.338 1.00 0.00 C ATOM 1430 CG LEU A 128 1.375 -11.253 2.532 1.00 0.00 C ATOM 1431 CD1 LEU A 128 2.015 -12.131 1.451 1.00 0.00 C ATOM 1432 CD2 LEU A 128 2.128 -9.922 2.667 1.00 0.00 C ATOM 0 H LEU A 128 -0.128 -8.636 1.124 1.00 0.00 H new ATOM 0 HA LEU A 128 -0.426 -11.466 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.496 -10.358 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.620 -12.035 2.579 1.00 0.00 H new ATOM 0 HG LEU A 128 1.475 -11.771 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 128 3.086 -12.215 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 128 1.563 -13.123 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.852 -11.680 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 128 3.192 -10.118 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.979 -9.327 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.748 -9.375 3.530 1.00 0.00 H new ATOM 1444 N ALA A 129 -2.928 -10.970 0.126 1.00 0.00 N ATOM 1445 CA ALA A 129 -4.380 -10.932 0.214 1.00 0.00 C ATOM 1446 C ALA A 129 -4.825 -11.866 1.343 1.00 0.00 C ATOM 1447 O ALA A 129 -5.553 -12.824 1.108 1.00 0.00 O ATOM 1448 CB ALA A 129 -4.991 -11.320 -1.138 1.00 0.00 C ATOM 0 H ALA A 129 -2.571 -11.514 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 129 -4.729 -9.926 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -6.078 -11.290 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.657 -10.619 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -4.672 -12.327 -1.406 1.00 0.00 H new ATOM 1454 N LYS A 130 -4.372 -11.608 2.578 1.00 0.00 N ATOM 1455 CA LYS A 130 -4.755 -12.447 3.708 1.00 0.00 C ATOM 1456 C LYS A 130 -6.250 -12.288 4.000 1.00 0.00 C ATOM 1457 O LYS A 130 -6.891 -13.222 4.475 1.00 0.00 O ATOM 1458 CB LYS A 130 -3.825 -12.272 4.917 1.00 0.00 C ATOM 1459 CG LYS A 130 -3.991 -10.969 5.707 1.00 0.00 C ATOM 1460 CD LYS A 130 -3.032 -11.012 6.907 1.00 0.00 C ATOM 1461 CE LYS A 130 -3.257 -9.819 7.845 1.00 0.00 C ATOM 1462 NZ LYS A 130 -2.366 -9.861 9.025 1.00 0.00 N ATOM 0 H LYS A 130 -3.749 -10.835 2.812 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.613 -13.494 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.984 -13.109 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -2.794 -12.335 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -3.770 -10.110 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.021 -10.859 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -3.176 -11.942 7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.002 -11.008 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -3.089 -8.892 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -4.295 -9.810 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -2.553 -9.036 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -2.544 -10.733 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -1.374 -9.843 8.712 1.00 0.00 H new ATOM 1476 N HIS A 131 -6.820 -11.124 3.663 1.00 0.00 N ATOM 1477 CA HIS A 131 -8.267 -10.934 3.595 1.00 0.00 C ATOM 1478 C HIS A 131 -8.709 -11.584 2.269 1.00 0.00 C ATOM 1479 O HIS A 131 -9.220 -10.925 1.369 1.00 0.00 O ATOM 1480 CB HIS A 131 -8.610 -9.430 3.684 1.00 0.00 C ATOM 1481 CG HIS A 131 -9.368 -8.985 4.911 1.00 0.00 C ATOM 1482 ND1 HIS A 131 -10.608 -9.428 5.328 1.00 0.00 N ATOM 1483 CD2 HIS A 131 -9.086 -7.851 5.627 1.00 0.00 C ATOM 1484 CE1 HIS A 131 -11.038 -8.591 6.286 1.00 0.00 C ATOM 1485 NE2 HIS A 131 -10.146 -7.611 6.504 1.00 0.00 N ATOM 0 H HIS A 131 -6.285 -10.287 3.430 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.797 -11.398 4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -7.680 -8.864 3.633 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -9.195 -9.161 2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.196 -7.246 5.530 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -11.976 -8.692 6.811 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -10.226 -6.846 7.174 1.00 0.00 H new TER 1493 HIS A 131 END