USER MOD reduce.3.24.130724 H: found=0, std=0, add=1586, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1587 hydrogens (9 hets) HEADER COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE) 27-MAR-96 1SHC TITLE SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR TITLE 2 PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: SHC; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PTB DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: TRKA RECEPTOR PHOSPHOPEPTIDE; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 STRAIN: BL21 (DE3); SOURCE 6 CELL_LINE: BL21; SOURCE 7 GENE: PTB DOMAIN OF SHC; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET15B; SOURCE 1 EXPRESSION_SYSTEM_GENE: PTB DOMAIN OF SHC; SOURCE 2 MOL_ID: 2 KEYWDS COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE), PHOSPHOTYROSINE KEYWDS 2 BINDING DOMAIN (PTB) EXPDTA SOLUTION NMR AUTHOR M.-M.ZHOU,K.S.RAVICHANDRAN,E.T.OLEJNICZAK,A.M.PETROS, AUTHOR 2 R.P.MEADOWS,M.SATTLER,J.E.HARLAN,W.S.WADE,S.J.BURAKOFF, AUTHOR 3 S.W.FESIK REVDAT 2 24-FEB-09 1SHC 1 VERSN REVDAT 1 15-MAY-97 1SHC 0 JRNL AUTH M.M.ZHOU,K.S.RAVICHANDRAN,E.F.OLEJNICZAK, JRNL AUTH 2 A.M.PETROS,R.P.MEADOWS,M.SATTLER,J.E.HARLAN, JRNL AUTH 3 W.S.WADE,S.J.BURAKOFF,S.W.FESIK JRNL TITL STRUCTURE AND LIGAND RECOGNITION OF THE JRNL TITL 2 PHOSPHOTYROSINE BINDING DOMAIN OF SHC. JRNL REF NATURE V. 378 584 1995 JRNL REFN ISSN 0028-0836 JRNL PMID 8524391 JRNL DOI 10.1038/378584A0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.M.ZHOU,B.HUANG,E.T.OLEJNICZAK,R.P.MEADOWS, REMARK 1 AUTH 2 S.B.SHUKER,M.MIYAZAKI,T.TRUB,S.E.SHOELSON,S.W.FESIK REMARK 1 TITL STRUCTURAL BASIS FOR IL-4 RECEPTOR PHOSPHOPEPTIDE REMARK 1 TITL 2 RECOGNITION BY THE IRS-1 PTB DOMAIN REMARK 1 REF NAT.STRUCT.BIOL. V. 3 388 1996 REMARK 1 REFN ISSN 1072-8368 REMARK 1 REFERENCE 2 REMARK 1 AUTH T.TRUB,W.E.CHOI,G.WOLF,E.OTTINGER,Y.CHEN,M.WEISS, REMARK 1 AUTH 2 S.E.SHOELSON REMARK 1 TITL SPECIFICITY OF THE PTB DOMAIN OF SHC FOR BETA REMARK 1 TITL 2 TURN-FORMING PENTAPEPTIDE MOTIFS AMINO-TERMINAL TO REMARK 1 TITL 3 PHOSPHOTYROSINE REMARK 1 REF J.BIOL.CHEM. V. 270 18205 1995 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 3 REMARK 1 AUTH W.M.KAVANAUGH,L.T.WILLIAMS REMARK 1 TITL AN ALTERNATIVE TO SH2 DOMAINS FOR BINDING REMARK 1 TITL 2 TYROSINE-PHOSPHORYLATED PROTEINS REMARK 1 REF SCIENCE V. 266 1862 1994 REMARK 1 REFN ISSN 0036-8075 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SET OF IDEAL BOND LENGTHS AND ANGLES REMARK 3 WERE USED DURING REFINEMENT: PARALLHDG.PRO IN X-PLOR. REMARK 4 REMARK 4 1SHC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 HIS A 15 -37.51 179.71 REMARK 500 MET A 16 -79.38 -54.61 REMARK 500 GLN A 18 -159.82 41.05 REMARK 500 LEU A 19 -179.58 58.00 REMARK 500 GLU A 22 29.87 -162.16 REMARK 500 TRP A 24 50.31 35.87 REMARK 500 THR A 25 60.58 -162.02 REMARK 500 HIS A 27 -169.59 -68.64 REMARK 500 PHE A 30 -88.72 38.46 REMARK 500 VAL A 31 -49.86 82.93 REMARK 500 THR A 35 -100.22 -60.67 REMARK 500 ARG A 36 -34.61 173.83 REMARK 500 TRP A 38 -166.37 54.34 REMARK 500 VAL A 50 174.79 -58.21 REMARK 500 SER A 51 93.61 -167.33 REMARK 500 LEU A 63 28.36 -140.71 REMARK 500 SER A 65 -172.84 -62.97 REMARK 500 LEU A 69 -73.11 -117.64 REMARK 500 ASP A 70 108.89 59.02 REMARK 500 GLU A 87 -68.06 -100.38 REMARK 500 PRO A 90 155.49 -44.97 REMARK 500 ALA A 92 -164.40 -72.85 REMARK 500 ALA A 95 39.62 177.44 REMARK 500 ARG A 98 36.95 -167.32 REMARK 500 ARG A 99 86.35 56.00 REMARK 500 PRO A 101 -83.74 -70.32 REMARK 500 CYS A 102 157.50 62.98 REMARK 500 SER A 103 -157.72 -65.30 REMARK 500 ARG A 104 67.13 -161.75 REMARK 500 PRO A 105 93.81 -48.15 REMARK 500 LEU A 106 125.52 -172.85 REMARK 500 SER A 107 -62.84 -105.09 REMARK 500 ILE A 109 83.19 -154.31 REMARK 500 LEU A 110 -168.69 173.70 REMARK 500 ARG A 112 140.81 175.65 REMARK 500 LEU A 115 53.19 -96.20 REMARK 500 THR A 128 94.96 -65.26 REMARK 500 SER A 129 36.53 73.49 REMARK 500 SER A 130 70.95 -152.04 REMARK 500 ASP A 137 -69.01 -104.89 REMARK 500 LYS A 139 70.89 54.23 REMARK 500 GLN A 140 -158.45 -142.18 REMARK 500 ILE A 142 92.61 -66.46 REMARK 500 ALA A 143 122.87 62.71 REMARK 500 HIS A 145 53.23 -157.46 REMARK 500 MET A 147 67.18 -168.44 REMARK 500 GLN A 148 -41.19 -158.63 REMARK 500 SER A 149 -87.95 -104.27 REMARK 500 ILE A 150 -154.13 50.89 REMARK 500 SER A 151 -52.93 -176.60 REMARK 500 SER A 154 -172.35 -177.22 REMARK 500 PRO A 158 -168.09 -74.69 REMARK 500 ASP A 159 -84.64 68.73 REMARK 500 GLU A 162 -48.57 179.82 REMARK 500 LYS A 169 145.12 -173.50 REMARK 500 ASP A 170 -58.88 174.54 REMARK 500 ASN A 173 36.87 -97.53 REMARK 500 GLU A 184 89.09 77.31 REMARK 500 LEU A 186 -93.03 -147.53 REMARK 500 ALA A 187 -91.42 37.59 REMARK 500 GLN A 196 -71.69 -59.03 REMARK 500 GLU A 199 32.49 -91.32 REMARK 500 ARG A 201 -86.85 -125.00 REMARK 500 GLN A 204 91.94 -56.54 REMARK 500 LEU A 206 103.66 59.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 26 0.23 SIDE_CHAIN REMARK 500 ARG A 36 0.24 SIDE_CHAIN REMARK 500 ARG A 55 0.19 SIDE_CHAIN REMARK 500 ARG A 67 0.29 SIDE_CHAIN REMARK 500 ARG A 74 0.19 SIDE_CHAIN REMARK 500 ARG A 79 0.32 SIDE_CHAIN REMARK 500 ARG A 97 0.32 SIDE_CHAIN REMARK 500 ARG A 98 0.25 SIDE_CHAIN REMARK 500 ARG A 99 0.23 SIDE_CHAIN REMARK 500 ARG A 104 0.30 SIDE_CHAIN REMARK 500 ARG A 112 0.32 SIDE_CHAIN REMARK 500 ARG A 175 0.19 SIDE_CHAIN REMARK 500 ARG A 201 0.30 SIDE_CHAIN REMARK 500 ARG A 207 0.18 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1SHC A 13 207 UNP P29353 SHC_HUMAN 126 317 DBREF 1SHC B 483 494 UNP P04629 NTRK1_HUMAN 489 500 SEQADV 1SHC MET A 16 UNP P29353 GLY 126 CONFLICT SEQADV 1SHC PTR B 490 UNP P04629 TYR 496 MODIFIED RESIDUE SEQRES 1 A 195 GLY SER HIS MET GLY GLN LEU GLY GLY GLU GLU TRP THR SEQRES 2 A 195 ARG HIS GLY SER PHE VAL ASN LYS PRO THR ARG GLY TRP SEQRES 3 A 195 LEU HIS PRO ASN ASP LYS VAL MET GLY PRO GLY VAL SER SEQRES 4 A 195 TYR LEU VAL ARG TYR MET GLY CYS VAL GLU VAL LEU GLN SEQRES 5 A 195 SER MET ARG ALA LEU ASP PHE ASN THR ARG THR GLN VAL SEQRES 6 A 195 THR ARG GLU ALA ILE SER LEU VAL CYS GLU ALA VAL PRO SEQRES 7 A 195 GLY ALA LYS GLY ALA THR ARG ARG ARG LYS PRO CYS SER SEQRES 8 A 195 ARG PRO LEU SER SER ILE LEU GLY ARG SER ASN LEU LYS SEQRES 9 A 195 PHE ALA GLY MET PRO ILE THR LEU THR VAL SER THR SER SEQRES 10 A 195 SER LEU ASN LEU MET ALA ALA ASP CYS LYS GLN ILE ILE SEQRES 11 A 195 ALA ASN HIS HIS MET GLN SER ILE SER PHE ALA SER GLY SEQRES 12 A 195 GLY ASP PRO ASP THR ALA GLU TYR VAL ALA TYR VAL ALA SEQRES 13 A 195 LYS ASP PRO VAL ASN GLN ARG ALA CYS HIS ILE LEU GLU SEQRES 14 A 195 CYS PRO GLU GLY LEU ALA GLN ASP VAL ILE SER THR ILE SEQRES 15 A 195 GLY GLN ALA PHE GLU LEU ARG PHE LYS GLN TYR LEU ARG SEQRES 1 B 12 HIS ILE ILE GLU ASN PRO GLN PTR PHE SER ASP ALA MODRES 1SHC PTR B 490 TYR O-PHOSPHOTYROSINE HET PTR B 490 25 HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 PTR C9 H12 N O6 P HELIX 1 1 HIS A 40 MET A 46 1 7 HELIX 2 2 THR A 73 ALA A 88 1 16 HELIX 3 3 ALA A 187 GLU A 199 1 13 SHEET 1 A 5 GLY A 111 ASN A 114 0 SHEET 2 A 5 CYS A 59 VAL A 62 -1 N GLU A 61 O ARG A 112 SHEET 3 A 5 ALA A 176 LEU A 180 -1 N CYS A 177 O VAL A 60 SHEET 4 A 5 VAL A 164 ALA A 168 -1 N ALA A 168 O ALA A 176 SHEET 5 A 5 PHE A 152 SER A 154 -1 N SER A 154 O ALA A 165 SHEET 1 B 4 GLN A 140 ILE A 142 0 SHEET 2 B 4 SER A 130 ALA A 135 -1 N ALA A 135 O GLN A 140 SHEET 3 B 4 ALA A 118 SER A 127 -1 N SER A 127 O SER A 130 SHEET 4 B 4 VAL A 50 MET A 57 -1 N TYR A 56 O GLY A 119 LINK N PTR B 490 C GLN B 489 1555 1555 1.30 LINK C PTR B 490 N PHE B 491 1555 1555 1.31 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 NoAdj-H: B 490 PTR HN2 : B 490 PTR N : B 489 GLN C :(H bumps) USER MOD NoAdj-H: B 490 PTR H : B 490 PTR N : B 489 GLN C :(H bumps) USER MOD Set 1.1: A 56 TYR OH : rot 159:sc= -3.67 USER MOD Set 1.2: A 59 CYS SG : rot -58:sc= -0.943! USER MOD Set 1.3: A 166 TYR OH : rot 80:sc= 1.16 USER MOD Set 1.4: A 178 HIS : no HD1:sc= -3.72 K(o=-7.2,f=-12!) USER MOD Set 2.1: A 57 MET CE :methyl 166:sc= -0.973 (180deg=-1.25) USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= -3.04! USER MOD Set 3.1: A 42 ASN : amide:sc= -1.84 K(o=-3.4,f=-11!) USER MOD Set 3.2: A 196 GLN : amide:sc= -1.52 K(o=-3.4,f=-6.8!) USER MOD Set 4.1: A 40 HIS :FLIP no HD1:sc= -4.54! C(o=-9.6!,f=-8.2!) USER MOD Set 4.2: A 52 TYR OH : rot -20:sc= -1.25 USER MOD Set 4.3: A 193 THR OG1 : rot -167:sc= -2.38 USER MOD Set 5.1: A 27 HIS : no HD1:sc= -0.845 K(o=-1.4,f=-2.7) USER MOD Set 5.2: A 29 SER OG : rot 79:sc= -0.531 USER MOD Set 6.1: A 15 HIS : no HE2:sc= -2.54 K(o=-2.5,f=-4.7!) USER MOD Set 6.2: A 16 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -79:sc= 1.2 USER MOD Single : A 18 GLN : amide:sc= -3.6 X(o=-3.6,f=-3.7!) USER MOD Single : A 25 THR OG1 : rot -64:sc= 0.445 USER MOD Single : A 32 ASN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= -0.0112 (180deg=-0.0145) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -146:sc= -0.265 (180deg=-1.05) USER MOD Single : A 51 SER OG : rot 51:sc= 0.576 USER MOD Single : A 64 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -159:sc= -0.128 (180deg=-0.397) USER MOD Single : A 72 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.8!) USER MOD Single : A 73 THR OG1 : rot 173:sc= -1 USER MOD Single : A 75 THR OG1 : rot -99:sc= 0.497 USER MOD Single : A 76 GLN : amide:sc= -1.52 K(o=-1.5,f=-4.9!) USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 170:sc= -2.66! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -150:sc= 0.03 USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= -0.119 (180deg=-0.119) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 127 SER OG : rot 108:sc= 0.298 USER MOD Single : A 128 THR OG1 : rot 54:sc= 0.124 USER MOD Single : A 129 SER OG : rot -90:sc= -0.787 USER MOD Single : A 130 SER OG : rot 180:sc= -0.412 USER MOD Single : A 132 ASN : amide:sc= -3.54 K(o=-3.5,f=-8.2!) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 144 ASN :FLIP amide:sc= 0.0888! F(o=-0.79,f=0.089!) USER MOD Single : A 145 HIS :FLIP no HD1:sc= -0.225 F(o=-0.8,f=-0.22) USER MOD Single : A 146 HIS :FLIP no HD1:sc= -1.43 F(o=-2.7!,f=-1.4) USER MOD Single : A 147 MET CE :methyl -174:sc= -8.04! (180deg=-8.73!) USER MOD Single : A 148 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.12) USER MOD Single : A 149 SER OG : rot 137:sc= 0.835 USER MOD Single : A 151 SER OG : rot 180:sc= -1.43 USER MOD Single : A 154 SER OG : rot 150:sc= -0.577 USER MOD Single : A 160 THR OG1 : rot -130:sc= -0.0677 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.228) USER MOD Single : A 173 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 174 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 177 CYS SG : rot -37:sc= -14.1! USER MOD Single : A 182 CYS SG : rot -62:sc= 0.0878 USER MOD Single : A 188 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 192 SER OG : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 204 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.52) USER MOD Single : A 205 TYR OH : rot -136:sc= 1.27 USER MOD Single : B 483 HIS : no HD1:sc= -0.998 K(o=-1,f=-2.4!) USER MOD Single : B 487 ASN : amide:sc= -7.69! C(o=-7.7!,f=-8!) USER MOD Single : B 489 GLN : amide:sc= -0.527 K(o=-0.53,f=-3.4!) USER MOD Single : B 492 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 -44.206 10.505 -12.834 1.00 25.56 N ATOM 2 CA GLY A 13 -44.501 9.371 -11.914 1.00 25.44 C ATOM 3 C GLY A 13 -43.909 9.666 -10.534 1.00 24.86 C ATOM 4 O GLY A 13 -43.116 8.907 -10.013 1.00 24.63 O ATOM 0 HA2 GLY A 13 -45.578 9.223 -11.835 1.00 25.44 H new ATOM 0 HA3 GLY A 13 -44.081 8.447 -12.312 1.00 25.44 H new ATOM 10 N SER A 14 -44.287 10.764 -9.939 1.00 24.71 N ATOM 11 CA SER A 14 -43.745 11.108 -8.594 1.00 24.24 C ATOM 12 C SER A 14 -44.812 10.842 -7.529 1.00 23.55 C ATOM 13 O SER A 14 -45.971 11.159 -7.707 1.00 23.67 O ATOM 14 CB SER A 14 -43.354 12.586 -8.565 1.00 24.45 C ATOM 15 OG SER A 14 -42.107 12.754 -9.226 1.00 24.58 O ATOM 0 H SER A 14 -44.948 11.438 -10.326 1.00 24.71 H new ATOM 0 HA SER A 14 -42.867 10.495 -8.389 1.00 24.24 H new ATOM 0 HB2 SER A 14 -44.121 13.187 -9.053 1.00 24.45 H new ATOM 0 HB3 SER A 14 -43.283 12.935 -7.535 1.00 24.45 H new ATOM 0 HG SER A 14 -41.379 12.497 -8.622 1.00 24.58 H new ATOM 21 N HIS A 15 -44.430 10.261 -6.424 1.00 22.93 N ATOM 22 CA HIS A 15 -45.424 9.976 -5.351 1.00 22.34 C ATOM 23 C HIS A 15 -44.728 9.290 -4.174 1.00 21.91 C ATOM 24 O HIS A 15 -45.042 9.537 -3.026 1.00 21.69 O ATOM 25 CB HIS A 15 -46.517 9.058 -5.900 1.00 22.19 C ATOM 26 CG HIS A 15 -45.910 8.079 -6.867 1.00 21.90 C ATOM 27 ND1 HIS A 15 -45.898 8.302 -8.234 1.00 21.86 N ATOM 28 CD2 HIS A 15 -45.290 6.869 -6.679 1.00 21.74 C ATOM 29 CE1 HIS A 15 -45.289 7.250 -8.812 1.00 21.70 C ATOM 30 NE2 HIS A 15 -44.898 6.347 -7.908 1.00 21.63 N ATOM 0 H HIS A 15 -43.474 9.972 -6.218 1.00 22.93 H new ATOM 0 HA HIS A 15 -45.869 10.912 -5.013 1.00 22.34 H new ATOM 0 HB2 HIS A 15 -47.003 8.525 -5.083 1.00 22.19 H new ATOM 0 HB3 HIS A 15 -47.286 9.648 -6.398 1.00 22.19 H new ATOM 0 HD1 HIS A 15 -46.281 9.116 -8.715 1.00 21.86 H new ATOM 0 HD2 HIS A 15 -45.131 6.394 -5.722 1.00 21.74 H new ATOM 0 HE1 HIS A 15 -45.135 7.148 -9.876 1.00 21.70 H new ATOM 38 N MET A 16 -43.785 8.429 -4.447 1.00 21.90 N ATOM 39 CA MET A 16 -43.072 7.729 -3.341 1.00 21.63 C ATOM 40 C MET A 16 -42.495 8.762 -2.369 1.00 20.88 C ATOM 41 O MET A 16 -43.051 9.019 -1.320 1.00 20.84 O ATOM 42 CB MET A 16 -41.941 6.878 -3.921 1.00 22.25 C ATOM 43 CG MET A 16 -42.476 5.486 -4.266 1.00 22.81 C ATOM 44 SD MET A 16 -41.278 4.616 -5.308 1.00 23.23 S ATOM 45 CE MET A 16 -42.015 5.033 -6.907 1.00 23.43 C ATOM 0 H MET A 16 -43.478 8.181 -5.387 1.00 21.90 H new ATOM 0 HA MET A 16 -43.771 7.085 -2.808 1.00 21.63 H new ATOM 0 HB2 MET A 16 -41.534 7.354 -4.813 1.00 22.25 H new ATOM 0 HB3 MET A 16 -41.126 6.798 -3.202 1.00 22.25 H new ATOM 0 HG2 MET A 16 -42.659 4.919 -3.353 1.00 22.81 H new ATOM 0 HG3 MET A 16 -43.431 5.571 -4.785 1.00 22.81 H new ATOM 0 HE1 MET A 16 -41.404 4.618 -7.709 1.00 23.43 H new ATOM 0 HE2 MET A 16 -43.020 4.616 -6.964 1.00 23.43 H new ATOM 0 HE3 MET A 16 -42.066 6.117 -7.013 1.00 23.43 H new ATOM 55 N GLY A 17 -41.383 9.357 -2.707 1.00 20.39 N ATOM 56 CA GLY A 17 -40.777 10.371 -1.799 1.00 19.76 C ATOM 57 C GLY A 17 -40.584 11.688 -2.554 1.00 19.26 C ATOM 58 O GLY A 17 -39.669 12.434 -2.272 1.00 19.28 O ATOM 0 H GLY A 17 -40.869 9.185 -3.571 1.00 20.39 H new ATOM 0 HA2 GLY A 17 -41.420 10.528 -0.933 1.00 19.76 H new ATOM 0 HA3 GLY A 17 -39.819 10.011 -1.424 1.00 19.76 H new ATOM 62 N GLN A 18 -41.448 11.964 -3.506 1.00 18.91 N ATOM 63 CA GLN A 18 -41.362 13.225 -4.317 1.00 18.54 C ATOM 64 C GLN A 18 -39.905 13.547 -4.682 1.00 18.16 C ATOM 65 O GLN A 18 -39.047 12.688 -4.660 1.00 18.27 O ATOM 66 CB GLN A 18 -42.010 14.393 -3.544 1.00 18.54 C ATOM 67 CG GLN A 18 -41.172 14.799 -2.321 1.00 18.72 C ATOM 68 CD GLN A 18 -41.676 14.052 -1.083 1.00 19.29 C ATOM 69 OE1 GLN A 18 -40.904 13.443 -0.370 1.00 19.50 O ATOM 70 NE2 GLN A 18 -42.948 14.078 -0.792 1.00 19.64 N ATOM 0 H GLN A 18 -42.226 11.355 -3.760 1.00 18.91 H new ATOM 0 HA GLN A 18 -41.909 13.078 -5.249 1.00 18.54 H new ATOM 0 HB2 GLN A 18 -42.124 15.250 -4.208 1.00 18.54 H new ATOM 0 HB3 GLN A 18 -43.010 14.105 -3.221 1.00 18.54 H new ATOM 0 HG2 GLN A 18 -40.121 14.568 -2.495 1.00 18.72 H new ATOM 0 HG3 GLN A 18 -41.240 15.875 -2.162 1.00 18.72 H new ATOM 0 HE21 GLN A 18 -43.598 14.589 -1.390 1.00 19.64 H new ATOM 0 HE22 GLN A 18 -43.293 13.587 0.033 1.00 19.64 H new ATOM 79 N LEU A 19 -39.620 14.776 -5.020 1.00 17.83 N ATOM 80 CA LEU A 19 -38.223 15.144 -5.386 1.00 17.59 C ATOM 81 C LEU A 19 -37.757 14.282 -6.562 1.00 17.60 C ATOM 82 O LEU A 19 -38.488 13.452 -7.065 1.00 17.96 O ATOM 83 CB LEU A 19 -37.300 14.910 -4.189 1.00 17.60 C ATOM 84 CG LEU A 19 -36.992 16.245 -3.510 1.00 17.61 C ATOM 85 CD1 LEU A 19 -38.291 17.021 -3.291 1.00 17.75 C ATOM 86 CD2 LEU A 19 -36.323 15.986 -2.158 1.00 17.78 C ATOM 0 H LEU A 19 -40.294 15.540 -5.058 1.00 17.83 H new ATOM 0 HA LEU A 19 -38.191 16.196 -5.670 1.00 17.59 H new ATOM 0 HB2 LEU A 19 -37.773 14.230 -3.480 1.00 17.60 H new ATOM 0 HB3 LEU A 19 -36.375 14.436 -4.517 1.00 17.60 H new ATOM 0 HG LEU A 19 -36.324 16.827 -4.144 1.00 17.61 H new ATOM 0 HD11 LEU A 19 -38.069 17.972 -2.807 1.00 17.75 H new ATOM 0 HD12 LEU A 19 -38.771 17.206 -4.252 1.00 17.75 H new ATOM 0 HD13 LEU A 19 -38.960 16.439 -2.658 1.00 17.75 H new ATOM 0 HD21 LEU A 19 -36.103 16.937 -1.673 1.00 17.78 H new ATOM 0 HD22 LEU A 19 -36.993 15.403 -1.526 1.00 17.78 H new ATOM 0 HD23 LEU A 19 -35.396 15.433 -2.311 1.00 17.78 H new ATOM 98 N GLY A 20 -36.544 14.473 -7.004 1.00 17.33 N ATOM 99 CA GLY A 20 -36.030 13.667 -8.148 1.00 17.49 C ATOM 100 C GLY A 20 -34.871 12.775 -7.687 1.00 17.05 C ATOM 101 O GLY A 20 -34.572 11.770 -8.301 1.00 17.35 O ATOM 0 H GLY A 20 -35.886 15.153 -6.622 1.00 17.33 H new ATOM 0 HA2 GLY A 20 -36.831 13.052 -8.558 1.00 17.49 H new ATOM 0 HA3 GLY A 20 -35.694 14.328 -8.947 1.00 17.49 H new ATOM 105 N GLY A 21 -34.214 13.128 -6.614 1.00 16.48 N ATOM 106 CA GLY A 21 -33.078 12.292 -6.130 1.00 16.19 C ATOM 107 C GLY A 21 -33.559 11.349 -5.024 1.00 15.84 C ATOM 108 O GLY A 21 -32.794 10.937 -4.174 1.00 15.96 O ATOM 0 H GLY A 21 -34.414 13.956 -6.054 1.00 16.48 H new ATOM 0 HA2 GLY A 21 -32.662 11.715 -6.956 1.00 16.19 H new ATOM 0 HA3 GLY A 21 -32.279 12.931 -5.753 1.00 16.19 H new ATOM 112 N GLU A 22 -34.819 11.000 -5.024 1.00 15.57 N ATOM 113 CA GLU A 22 -35.336 10.083 -3.969 1.00 15.40 C ATOM 114 C GLU A 22 -36.670 9.480 -4.415 1.00 15.72 C ATOM 115 O GLU A 22 -37.519 9.164 -3.605 1.00 16.08 O ATOM 116 CB GLU A 22 -35.539 10.858 -2.664 1.00 15.50 C ATOM 117 CG GLU A 22 -36.103 12.248 -2.970 1.00 15.58 C ATOM 118 CD GLU A 22 -34.998 13.294 -2.809 1.00 15.81 C ATOM 119 OE1 GLU A 22 -34.766 13.714 -1.688 1.00 15.89 O ATOM 120 OE2 GLU A 22 -34.405 13.659 -3.811 1.00 16.05 O ATOM 0 H GLU A 22 -35.510 11.310 -5.708 1.00 15.57 H new ATOM 0 HA GLU A 22 -34.613 9.283 -3.807 1.00 15.40 H new ATOM 0 HB2 GLU A 22 -36.221 10.315 -2.010 1.00 15.50 H new ATOM 0 HB3 GLU A 22 -34.592 10.949 -2.133 1.00 15.50 H new ATOM 0 HG2 GLU A 22 -36.500 12.276 -3.985 1.00 15.58 H new ATOM 0 HG3 GLU A 22 -36.931 12.472 -2.298 1.00 15.58 H new ATOM 127 N GLU A 23 -36.863 9.315 -5.695 1.00 15.74 N ATOM 128 CA GLU A 23 -38.143 8.729 -6.185 1.00 16.24 C ATOM 129 C GLU A 23 -37.875 7.354 -6.805 1.00 16.18 C ATOM 130 O GLU A 23 -38.600 6.918 -7.676 1.00 16.59 O ATOM 131 CB GLU A 23 -38.754 9.651 -7.241 1.00 16.95 C ATOM 132 CG GLU A 23 -40.252 9.368 -7.358 1.00 17.49 C ATOM 133 CD GLU A 23 -41.036 10.448 -6.611 1.00 18.00 C ATOM 134 OE1 GLU A 23 -41.246 11.504 -7.184 1.00 17.99 O ATOM 135 OE2 GLU A 23 -41.412 10.201 -5.477 1.00 18.50 O ATOM 0 H GLU A 23 -36.191 9.560 -6.422 1.00 15.74 H new ATOM 0 HA GLU A 23 -38.834 8.622 -5.349 1.00 16.24 H new ATOM 0 HB2 GLU A 23 -38.590 10.693 -6.968 1.00 16.95 H new ATOM 0 HB3 GLU A 23 -38.267 9.493 -8.203 1.00 16.95 H new ATOM 0 HG2 GLU A 23 -40.548 9.349 -8.407 1.00 17.49 H new ATOM 0 HG3 GLU A 23 -40.481 8.386 -6.944 1.00 17.49 H new ATOM 142 N TRP A 24 -36.843 6.680 -6.341 1.00 15.79 N ATOM 143 CA TRP A 24 -36.478 5.321 -6.858 1.00 15.86 C ATOM 144 C TRP A 24 -36.744 5.205 -8.356 1.00 16.03 C ATOM 145 O TRP A 24 -37.370 4.279 -8.831 1.00 15.81 O ATOM 146 CB TRP A 24 -37.267 4.294 -6.068 1.00 15.52 C ATOM 147 CG TRP A 24 -37.220 4.707 -4.635 1.00 14.87 C ATOM 148 CD1 TRP A 24 -38.279 4.798 -3.808 1.00 14.58 C ATOM 149 CD2 TRP A 24 -36.064 5.123 -3.865 1.00 14.61 C ATOM 150 NE1 TRP A 24 -37.841 5.218 -2.563 1.00 14.18 N ATOM 151 CE2 TRP A 24 -36.477 5.433 -2.551 1.00 14.17 C ATOM 152 CE3 TRP A 24 -34.708 5.247 -4.182 1.00 14.85 C ATOM 153 CZ2 TRP A 24 -35.567 5.855 -1.581 1.00 13.97 C ATOM 154 CZ3 TRP A 24 -33.784 5.673 -3.213 1.00 14.63 C ATOM 155 CH2 TRP A 24 -34.214 5.975 -1.913 1.00 14.20 C ATOM 0 H TRP A 24 -36.225 7.027 -5.607 1.00 15.79 H new ATOM 0 HA TRP A 24 -35.410 5.146 -6.726 1.00 15.86 H new ATOM 0 HB2 TRP A 24 -38.297 4.246 -6.421 1.00 15.52 H new ATOM 0 HB3 TRP A 24 -36.840 3.299 -6.196 1.00 15.52 H new ATOM 0 HD1 TRP A 24 -39.303 4.579 -4.073 1.00 14.58 H new ATOM 0 HE1 TRP A 24 -38.450 5.352 -1.756 1.00 14.18 H new ATOM 0 HE3 TRP A 24 -34.368 5.013 -5.180 1.00 14.85 H new ATOM 0 HZ2 TRP A 24 -35.905 6.087 -0.582 1.00 13.97 H new ATOM 0 HZ3 TRP A 24 -32.739 5.768 -3.470 1.00 14.63 H new ATOM 0 HH2 TRP A 24 -33.501 6.300 -1.169 1.00 14.20 H new ATOM 166 N THR A 25 -36.254 6.156 -9.092 1.00 16.57 N ATOM 167 CA THR A 25 -36.441 6.153 -10.571 1.00 16.94 C ATOM 168 C THR A 25 -35.413 7.098 -11.194 1.00 17.34 C ATOM 169 O THR A 25 -35.758 8.071 -11.834 1.00 17.74 O ATOM 170 CB THR A 25 -37.854 6.633 -10.912 1.00 17.43 C ATOM 171 OG1 THR A 25 -38.010 6.671 -12.324 1.00 17.43 O ATOM 172 CG2 THR A 25 -38.073 8.032 -10.334 1.00 17.55 C ATOM 0 H THR A 25 -35.724 6.948 -8.730 1.00 16.57 H new ATOM 0 HA THR A 25 -36.306 5.145 -10.962 1.00 16.94 H new ATOM 0 HB THR A 25 -38.585 5.948 -10.483 1.00 17.43 H new ATOM 0 HG1 THR A 25 -37.396 7.334 -12.703 1.00 17.43 H new ATOM 0 HG21 THR A 25 -39.079 8.373 -10.577 1.00 17.55 H new ATOM 0 HG22 THR A 25 -37.952 8.001 -9.251 1.00 17.55 H new ATOM 0 HG23 THR A 25 -37.344 8.720 -10.761 1.00 17.55 H new ATOM 180 N ARG A 26 -34.151 6.827 -11.004 1.00 17.33 N ATOM 181 CA ARG A 26 -33.107 7.721 -11.578 1.00 17.79 C ATOM 182 C ARG A 26 -31.871 6.904 -11.966 1.00 17.29 C ATOM 183 O ARG A 26 -31.884 5.690 -11.940 1.00 17.16 O ATOM 184 CB ARG A 26 -32.713 8.782 -10.537 1.00 18.16 C ATOM 185 CG ARG A 26 -33.085 8.312 -9.122 1.00 19.17 C ATOM 186 CD ARG A 26 -32.261 7.075 -8.755 1.00 19.78 C ATOM 187 NE ARG A 26 -32.932 6.325 -7.657 1.00 20.59 N ATOM 188 CZ ARG A 26 -32.700 5.047 -7.509 1.00 21.07 C ATOM 189 NH1 ARG A 26 -32.751 4.250 -8.541 1.00 21.47 N ATOM 190 NH2 ARG A 26 -32.419 4.566 -6.330 1.00 21.23 N ATOM 0 H ARG A 26 -33.799 6.028 -10.478 1.00 17.33 H new ATOM 0 HA ARG A 26 -33.505 8.209 -12.468 1.00 17.79 H new ATOM 0 HB2 ARG A 26 -31.642 8.974 -10.593 1.00 18.16 H new ATOM 0 HB3 ARG A 26 -33.218 9.722 -10.759 1.00 18.16 H new ATOM 0 HG2 ARG A 26 -32.900 9.110 -8.403 1.00 19.17 H new ATOM 0 HG3 ARG A 26 -34.149 8.080 -9.074 1.00 19.17 H new ATOM 0 HD2 ARG A 26 -32.145 6.433 -9.628 1.00 19.78 H new ATOM 0 HD3 ARG A 26 -31.260 7.374 -8.444 1.00 19.78 H new ATOM 0 HE ARG A 26 -33.570 6.806 -7.023 1.00 20.59 H new ATOM 0 HH11 ARG A 26 -32.972 4.624 -9.464 1.00 21.47 H new ATOM 0 HH12 ARG A 26 -32.570 3.253 -8.425 1.00 21.47 H new ATOM 0 HH21 ARG A 26 -32.380 5.187 -5.522 1.00 21.23 H new ATOM 0 HH22 ARG A 26 -32.238 3.569 -6.216 1.00 21.23 H new ATOM 204 N HIS A 27 -30.802 7.563 -12.321 1.00 17.13 N ATOM 205 CA HIS A 27 -29.567 6.825 -12.702 1.00 16.76 C ATOM 206 C HIS A 27 -28.988 6.144 -11.456 1.00 16.16 C ATOM 207 O HIS A 27 -29.622 6.091 -10.421 1.00 16.16 O ATOM 208 CB HIS A 27 -28.547 7.810 -13.281 1.00 17.34 C ATOM 209 CG HIS A 27 -28.340 8.943 -12.314 1.00 17.73 C ATOM 210 ND1 HIS A 27 -27.489 8.838 -11.227 1.00 17.97 N ATOM 211 CD2 HIS A 27 -28.868 10.209 -12.258 1.00 18.09 C ATOM 212 CE1 HIS A 27 -27.528 10.011 -10.567 1.00 18.44 C ATOM 213 NE2 HIS A 27 -28.353 10.882 -11.153 1.00 18.54 N ATOM 0 H HIS A 27 -30.731 8.580 -12.363 1.00 17.13 H new ATOM 0 HA HIS A 27 -29.799 6.070 -13.453 1.00 16.76 H new ATOM 0 HB2 HIS A 27 -27.601 7.302 -13.470 1.00 17.34 H new ATOM 0 HB3 HIS A 27 -28.899 8.194 -14.238 1.00 17.34 H new ATOM 0 HD2 HIS A 27 -29.575 10.620 -12.963 1.00 18.09 H new ATOM 0 HE1 HIS A 27 -26.961 10.222 -9.672 1.00 18.44 H new ATOM 0 HE2 HIS A 27 -28.561 11.835 -10.855 1.00 18.54 H new ATOM 221 N GLY A 28 -27.796 5.621 -11.543 1.00 15.78 N ATOM 222 CA GLY A 28 -27.190 4.944 -10.359 1.00 15.32 C ATOM 223 C GLY A 28 -26.919 5.965 -9.250 1.00 14.37 C ATOM 224 O GLY A 28 -27.793 6.704 -8.844 1.00 14.03 O ATOM 0 H GLY A 28 -27.215 5.632 -12.381 1.00 15.78 H new ATOM 0 HA2 GLY A 28 -27.860 4.167 -9.992 1.00 15.32 H new ATOM 0 HA3 GLY A 28 -26.260 4.453 -10.647 1.00 15.32 H new ATOM 228 N SER A 29 -25.708 6.006 -8.758 1.00 14.09 N ATOM 229 CA SER A 29 -25.359 6.971 -7.672 1.00 13.31 C ATOM 230 C SER A 29 -26.080 6.581 -6.378 1.00 12.88 C ATOM 231 O SER A 29 -26.743 7.393 -5.770 1.00 13.39 O ATOM 232 CB SER A 29 -25.766 8.387 -8.080 1.00 13.34 C ATOM 233 OG SER A 29 -25.430 8.597 -9.445 1.00 13.94 O ATOM 0 H SER A 29 -24.940 5.408 -9.064 1.00 14.09 H new ATOM 0 HA SER A 29 -24.282 6.942 -7.507 1.00 13.31 H new ATOM 0 HB2 SER A 29 -26.837 8.527 -7.931 1.00 13.34 H new ATOM 0 HB3 SER A 29 -25.258 9.119 -7.452 1.00 13.34 H new ATOM 0 HG SER A 29 -26.101 8.168 -10.017 1.00 13.94 H new ATOM 239 N PHE A 30 -25.929 5.339 -5.969 1.00 12.10 N ATOM 240 CA PHE A 30 -26.564 4.806 -4.716 1.00 11.85 C ATOM 241 C PHE A 30 -27.984 5.364 -4.513 1.00 11.57 C ATOM 242 O PHE A 30 -28.941 4.766 -4.958 1.00 11.99 O ATOM 243 CB PHE A 30 -25.676 5.116 -3.493 1.00 11.87 C ATOM 244 CG PHE A 30 -24.614 6.128 -3.861 1.00 11.97 C ATOM 245 CD1 PHE A 30 -23.484 5.725 -4.584 1.00 12.04 C ATOM 246 CD2 PHE A 30 -24.762 7.471 -3.487 1.00 12.21 C ATOM 247 CE1 PHE A 30 -22.504 6.662 -4.932 1.00 12.30 C ATOM 248 CE2 PHE A 30 -23.782 8.407 -3.837 1.00 12.49 C ATOM 249 CZ PHE A 30 -22.654 8.002 -4.559 1.00 12.51 C ATOM 0 H PHE A 30 -25.371 4.649 -6.472 1.00 12.10 H new ATOM 0 HA PHE A 30 -26.653 3.725 -4.823 1.00 11.85 H new ATOM 0 HB2 PHE A 30 -26.289 5.501 -2.678 1.00 11.87 H new ATOM 0 HB3 PHE A 30 -25.207 4.200 -3.134 1.00 11.87 H new ATOM 0 HD1 PHE A 30 -23.369 4.691 -4.873 1.00 12.04 H new ATOM 0 HD2 PHE A 30 -25.632 7.783 -2.929 1.00 12.21 H new ATOM 0 HE1 PHE A 30 -21.632 6.351 -5.488 1.00 12.30 H new ATOM 0 HE2 PHE A 30 -23.896 9.442 -3.550 1.00 12.49 H new ATOM 0 HZ PHE A 30 -21.898 8.725 -4.829 1.00 12.51 H new ATOM 259 N VAL A 31 -28.105 6.497 -3.850 1.00 11.03 N ATOM 260 CA VAL A 31 -29.440 7.145 -3.585 1.00 10.95 C ATOM 261 C VAL A 31 -30.113 6.520 -2.353 1.00 10.79 C ATOM 262 O VAL A 31 -30.561 7.221 -1.468 1.00 10.80 O ATOM 263 CB VAL A 31 -30.373 7.022 -4.794 1.00 11.54 C ATOM 264 CG1 VAL A 31 -31.575 7.950 -4.599 1.00 11.83 C ATOM 265 CG2 VAL A 31 -29.620 7.423 -6.064 1.00 11.52 C ATOM 0 H VAL A 31 -27.312 7.014 -3.471 1.00 11.03 H new ATOM 0 HA VAL A 31 -29.254 8.202 -3.397 1.00 10.95 H new ATOM 0 HB VAL A 31 -30.716 5.992 -4.888 1.00 11.54 H new ATOM 0 HG11 VAL A 31 -32.242 7.866 -5.457 1.00 11.83 H new ATOM 0 HG12 VAL A 31 -32.111 7.666 -3.693 1.00 11.83 H new ATOM 0 HG13 VAL A 31 -31.229 8.980 -4.508 1.00 11.83 H new ATOM 0 HG21 VAL A 31 -30.284 7.335 -6.924 1.00 11.52 H new ATOM 0 HG22 VAL A 31 -29.277 8.454 -5.974 1.00 11.52 H new ATOM 0 HG23 VAL A 31 -28.761 6.766 -6.201 1.00 11.52 H new ATOM 275 N ASN A 32 -30.198 5.218 -2.283 1.00 10.86 N ATOM 276 CA ASN A 32 -30.848 4.574 -1.107 1.00 10.98 C ATOM 277 C ASN A 32 -30.193 5.067 0.186 1.00 10.58 C ATOM 278 O ASN A 32 -30.812 5.097 1.232 1.00 10.92 O ATOM 279 CB ASN A 32 -30.698 3.055 -1.209 1.00 11.72 C ATOM 280 CG ASN A 32 -32.035 2.438 -1.622 1.00 12.33 C ATOM 281 OD1 ASN A 32 -32.581 1.614 -0.915 1.00 12.41 O ATOM 282 ND2 ASN A 32 -32.590 2.804 -2.745 1.00 12.91 N ATOM 0 H ASN A 32 -29.845 4.573 -2.990 1.00 10.86 H new ATOM 0 HA ASN A 32 -31.906 4.836 -1.095 1.00 10.98 H new ATOM 0 HB2 ASN A 32 -29.928 2.803 -1.938 1.00 11.72 H new ATOM 0 HB3 ASN A 32 -30.376 2.645 -0.251 1.00 11.72 H new ATOM 0 HD21 ASN A 32 -33.482 2.399 -3.029 1.00 12.91 H new ATOM 0 HD22 ASN A 32 -32.132 3.496 -3.339 1.00 12.91 H new ATOM 289 N LYS A 33 -28.948 5.455 0.128 1.00 10.04 N ATOM 290 CA LYS A 33 -28.268 5.945 1.360 1.00 9.82 C ATOM 291 C LYS A 33 -27.591 7.288 1.071 1.00 9.03 C ATOM 292 O LYS A 33 -27.338 7.621 -0.070 1.00 8.57 O ATOM 293 CB LYS A 33 -27.216 4.927 1.810 1.00 10.03 C ATOM 294 CG LYS A 33 -26.627 4.216 0.589 1.00 9.88 C ATOM 295 CD LYS A 33 -27.482 2.994 0.246 1.00 10.49 C ATOM 296 CE LYS A 33 -27.406 2.722 -1.257 1.00 10.64 C ATOM 297 NZ LYS A 33 -26.063 2.170 -1.595 1.00 10.91 N ATOM 0 H LYS A 33 -28.375 5.454 -0.716 1.00 10.04 H new ATOM 0 HA LYS A 33 -29.006 6.073 2.152 1.00 9.82 H new ATOM 0 HB2 LYS A 33 -26.425 5.430 2.366 1.00 10.03 H new ATOM 0 HB3 LYS A 33 -27.666 4.199 2.484 1.00 10.03 H new ATOM 0 HG2 LYS A 33 -26.592 4.898 -0.260 1.00 9.88 H new ATOM 0 HG3 LYS A 33 -25.601 3.909 0.794 1.00 9.88 H new ATOM 0 HD2 LYS A 33 -27.131 2.124 0.802 1.00 10.49 H new ATOM 0 HD3 LYS A 33 -28.517 3.166 0.543 1.00 10.49 H new ATOM 0 HE2 LYS A 33 -28.185 2.018 -1.550 1.00 10.64 H new ATOM 0 HE3 LYS A 33 -27.583 3.642 -1.813 1.00 10.64 H new ATOM 0 HZ1 LYS A 33 -26.023 1.953 -2.611 1.00 10.91 H new ATOM 0 HZ2 LYS A 33 -25.331 2.871 -1.361 1.00 10.91 H new ATOM 0 HZ3 LYS A 33 -25.897 1.301 -1.049 1.00 10.91 H new ATOM 311 N PRO A 34 -27.320 8.021 2.120 1.00 9.13 N ATOM 312 CA PRO A 34 -26.677 9.335 2.035 1.00 8.70 C ATOM 313 C PRO A 34 -25.176 9.174 1.779 1.00 7.89 C ATOM 314 O PRO A 34 -24.574 9.942 1.055 1.00 7.88 O ATOM 315 CB PRO A 34 -26.911 9.994 3.387 1.00 9.37 C ATOM 316 CG PRO A 34 -27.069 8.783 4.341 1.00 10.03 C ATOM 317 CD PRO A 34 -27.634 7.607 3.505 1.00 9.96 C ATOM 0 HA PRO A 34 -27.084 9.931 1.218 1.00 8.70 H new ATOM 0 HB2 PRO A 34 -26.074 10.630 3.677 1.00 9.37 H new ATOM 0 HB3 PRO A 34 -27.802 10.622 3.381 1.00 9.37 H new ATOM 0 HG2 PRO A 34 -26.109 8.514 4.783 1.00 10.03 H new ATOM 0 HG3 PRO A 34 -27.741 9.027 5.164 1.00 10.03 H new ATOM 0 HD2 PRO A 34 -27.159 6.660 3.763 1.00 9.96 H new ATOM 0 HD3 PRO A 34 -28.706 7.478 3.657 1.00 9.96 H new ATOM 325 N THR A 35 -24.566 8.184 2.371 1.00 7.42 N ATOM 326 CA THR A 35 -23.105 7.980 2.163 1.00 6.75 C ATOM 327 C THR A 35 -22.827 7.731 0.669 1.00 6.24 C ATOM 328 O THR A 35 -22.780 8.662 -0.109 1.00 6.57 O ATOM 329 CB THR A 35 -22.632 6.796 3.014 1.00 6.86 C ATOM 330 OG1 THR A 35 -23.588 5.747 2.935 1.00 7.48 O ATOM 331 CG2 THR A 35 -22.478 7.240 4.469 1.00 7.14 C ATOM 0 H THR A 35 -25.016 7.508 2.989 1.00 7.42 H new ATOM 0 HA THR A 35 -22.556 8.870 2.471 1.00 6.75 H new ATOM 0 HB THR A 35 -21.671 6.441 2.642 1.00 6.86 H new ATOM 0 HG1 THR A 35 -23.287 4.988 3.477 1.00 7.48 H new ATOM 0 HG21 THR A 35 -22.142 6.397 5.073 1.00 7.14 H new ATOM 0 HG22 THR A 35 -21.745 8.044 4.528 1.00 7.14 H new ATOM 0 HG23 THR A 35 -23.438 7.595 4.844 1.00 7.14 H new ATOM 339 N ARG A 36 -22.645 6.497 0.251 1.00 5.76 N ATOM 340 CA ARG A 36 -22.376 6.230 -1.192 1.00 5.61 C ATOM 341 C ARG A 36 -22.051 4.747 -1.391 1.00 4.98 C ATOM 342 O ARG A 36 -22.390 4.160 -2.400 1.00 5.23 O ATOM 343 CB ARG A 36 -21.191 7.074 -1.678 1.00 6.00 C ATOM 344 CG ARG A 36 -20.056 7.047 -0.648 1.00 6.44 C ATOM 345 CD ARG A 36 -19.769 8.471 -0.167 1.00 7.12 C ATOM 346 NE ARG A 36 -19.617 9.373 -1.343 1.00 7.81 N ATOM 347 CZ ARG A 36 -20.469 10.343 -1.536 1.00 8.51 C ATOM 348 NH1 ARG A 36 -20.762 11.158 -0.560 1.00 9.15 N ATOM 349 NH2 ARG A 36 -21.030 10.498 -2.705 1.00 8.79 N ATOM 0 H ARG A 36 -22.672 5.670 0.848 1.00 5.76 H new ATOM 0 HA ARG A 36 -23.264 6.494 -1.766 1.00 5.61 H new ATOM 0 HB2 ARG A 36 -20.832 6.692 -2.634 1.00 6.00 H new ATOM 0 HB3 ARG A 36 -21.513 8.102 -1.846 1.00 6.00 H new ATOM 0 HG2 ARG A 36 -20.332 6.415 0.196 1.00 6.44 H new ATOM 0 HG3 ARG A 36 -19.159 6.614 -1.091 1.00 6.44 H new ATOM 0 HD2 ARG A 36 -20.581 8.821 0.470 1.00 7.12 H new ATOM 0 HD3 ARG A 36 -18.861 8.486 0.436 1.00 7.12 H new ATOM 0 HE ARG A 36 -18.847 9.233 -1.997 1.00 7.81 H new ATOM 0 HH11 ARG A 36 -20.325 11.037 0.354 1.00 9.15 H new ATOM 0 HH12 ARG A 36 -21.428 11.916 -0.711 1.00 9.15 H new ATOM 0 HH21 ARG A 36 -20.803 9.861 -3.468 1.00 8.79 H new ATOM 0 HH22 ARG A 36 -21.696 11.256 -2.855 1.00 8.79 H new ATOM 363 N GLY A 37 -21.395 4.136 -0.442 1.00 4.40 N ATOM 364 CA GLY A 37 -21.050 2.693 -0.587 1.00 3.92 C ATOM 365 C GLY A 37 -19.687 2.560 -1.269 1.00 3.10 C ATOM 366 O GLY A 37 -18.711 2.175 -0.656 1.00 3.23 O ATOM 0 H GLY A 37 -21.084 4.573 0.426 1.00 4.40 H new ATOM 0 HA2 GLY A 37 -21.027 2.214 0.392 1.00 3.92 H new ATOM 0 HA3 GLY A 37 -21.814 2.183 -1.174 1.00 3.92 H new ATOM 370 N TRP A 38 -19.612 2.876 -2.534 1.00 2.62 N ATOM 371 CA TRP A 38 -18.312 2.768 -3.255 1.00 2.05 C ATOM 372 C TRP A 38 -17.750 1.355 -3.089 1.00 1.53 C ATOM 373 O TRP A 38 -18.441 0.450 -2.666 1.00 1.86 O ATOM 374 CB TRP A 38 -17.326 3.783 -2.683 1.00 2.41 C ATOM 375 CG TRP A 38 -17.020 4.803 -3.729 1.00 2.55 C ATOM 376 CD1 TRP A 38 -17.863 5.780 -4.131 1.00 2.86 C ATOM 377 CD2 TRP A 38 -15.808 4.957 -4.518 1.00 2.59 C ATOM 378 NE1 TRP A 38 -17.240 6.531 -5.112 1.00 3.03 N ATOM 379 CE2 TRP A 38 -15.971 6.062 -5.386 1.00 2.91 C ATOM 380 CE3 TRP A 38 -14.595 4.252 -4.560 1.00 2.56 C ATOM 381 CZ2 TRP A 38 -14.962 6.454 -6.267 1.00 3.17 C ATOM 382 CZ3 TRP A 38 -13.576 4.642 -5.445 1.00 2.88 C ATOM 383 CH2 TRP A 38 -13.759 5.742 -6.296 1.00 3.17 C ATOM 0 H TRP A 38 -20.395 3.204 -3.099 1.00 2.62 H new ATOM 0 HA TRP A 38 -18.467 2.972 -4.314 1.00 2.05 H new ATOM 0 HB2 TRP A 38 -17.749 4.263 -1.801 1.00 2.41 H new ATOM 0 HB3 TRP A 38 -16.411 3.282 -2.366 1.00 2.41 H new ATOM 0 HD1 TRP A 38 -18.859 5.947 -3.749 1.00 2.86 H new ATOM 0 HE1 TRP A 38 -17.666 7.333 -5.576 1.00 3.03 H new ATOM 0 HE3 TRP A 38 -14.444 3.404 -3.908 1.00 2.56 H new ATOM 0 HZ2 TRP A 38 -15.109 7.301 -6.921 1.00 3.17 H new ATOM 0 HZ3 TRP A 38 -12.647 4.092 -5.470 1.00 2.88 H new ATOM 0 HH2 TRP A 38 -12.971 6.039 -6.973 1.00 3.17 H new ATOM 394 N LEU A 39 -16.502 1.155 -3.418 1.00 1.00 N ATOM 395 CA LEU A 39 -15.910 -0.204 -3.275 1.00 0.68 C ATOM 396 C LEU A 39 -15.876 -0.594 -1.786 1.00 0.63 C ATOM 397 O LEU A 39 -16.289 0.159 -0.915 1.00 0.61 O ATOM 398 CB LEU A 39 -14.485 -0.217 -3.839 1.00 0.79 C ATOM 399 CG LEU A 39 -14.501 -0.237 -5.366 1.00 0.84 C ATOM 400 CD1 LEU A 39 -13.057 -0.214 -5.877 1.00 0.71 C ATOM 401 CD2 LEU A 39 -15.183 -1.516 -5.850 1.00 1.61 C ATOM 0 H LEU A 39 -15.871 1.871 -3.778 1.00 1.00 H new ATOM 0 HA LEU A 39 -16.519 -0.919 -3.828 1.00 0.68 H new ATOM 0 HB2 LEU A 39 -13.943 0.662 -3.489 1.00 0.79 H new ATOM 0 HB3 LEU A 39 -13.950 -1.090 -3.466 1.00 0.79 H new ATOM 0 HG LEU A 39 -15.044 0.630 -5.741 1.00 0.84 H new ATOM 0 HD11 LEU A 39 -13.056 -0.228 -6.967 1.00 0.71 H new ATOM 0 HD12 LEU A 39 -12.561 0.691 -5.526 1.00 0.71 H new ATOM 0 HD13 LEU A 39 -12.525 -1.088 -5.503 1.00 0.71 H new ATOM 0 HD21 LEU A 39 -15.195 -1.532 -6.940 1.00 1.61 H new ATOM 0 HD22 LEU A 39 -14.635 -2.383 -5.481 1.00 1.61 H new ATOM 0 HD23 LEU A 39 -16.206 -1.547 -5.475 1.00 1.61 H new ATOM 413 N HIS A 40 -15.386 -1.769 -1.490 1.00 0.66 N ATOM 414 CA HIS A 40 -15.327 -2.227 -0.070 1.00 0.66 C ATOM 415 C HIS A 40 -14.151 -1.609 0.737 1.00 0.59 C ATOM 416 O HIS A 40 -14.274 -1.506 1.936 1.00 0.63 O ATOM 417 CB HIS A 40 -15.233 -3.758 -0.026 1.00 0.78 C ATOM 418 CG HIS A 40 -13.912 -4.218 -0.577 1.00 0.91 C ATOM 419 ND1 HIS A 40 -12.624 -4.054 -0.132 1.00 1.48 N flip ATOM 420 CD2 HIS A 40 -13.817 -4.959 -1.744 1.00 1.17 C flip ATOM 421 CE1 HIS A 40 -11.742 -4.683 -1.006 1.00 1.95 C flip ATOM 422 NE2 HIS A 40 -12.513 -5.212 -1.959 1.00 1.70 N flip ATOM 0 H HIS A 40 -15.023 -2.434 -2.173 1.00 0.66 H new ATOM 0 HA HIS A 40 -16.245 -1.881 0.405 1.00 0.66 H new ATOM 0 HB2 HIS A 40 -15.347 -4.106 1.001 1.00 0.78 H new ATOM 0 HB3 HIS A 40 -16.047 -4.195 -0.604 1.00 0.78 H new ATOM 0 HD2 HIS A 40 -14.640 -5.276 -2.368 1.00 1.17 H new ATOM 0 HE1 HIS A 40 -10.666 -4.732 -0.930 1.00 1.95 H new ATOM 0 HE2 HIS A 40 -12.157 -5.743 -2.753 1.00 1.70 H new ATOM 430 N PRO A 41 -13.048 -1.210 0.118 1.00 0.56 N ATOM 431 CA PRO A 41 -11.925 -0.616 0.860 1.00 0.54 C ATOM 432 C PRO A 41 -12.387 0.678 1.542 1.00 0.51 C ATOM 433 O PRO A 41 -12.052 0.950 2.677 1.00 0.51 O ATOM 434 CB PRO A 41 -10.852 -0.295 -0.182 1.00 0.69 C ATOM 435 CG PRO A 41 -11.237 -1.217 -1.353 1.00 0.69 C ATOM 436 CD PRO A 41 -12.772 -1.290 -1.329 1.00 0.65 C ATOM 0 HA PRO A 41 -11.548 -1.290 1.629 1.00 0.54 H new ATOM 0 HB2 PRO A 41 -10.869 0.756 -0.471 1.00 0.69 H new ATOM 0 HB3 PRO A 41 -9.850 -0.508 0.189 1.00 0.69 H new ATOM 0 HG2 PRO A 41 -10.878 -0.818 -2.302 1.00 0.69 H new ATOM 0 HG3 PRO A 41 -10.795 -2.206 -1.236 1.00 0.69 H new ATOM 0 HD2 PRO A 41 -13.230 -0.469 -1.880 1.00 0.65 H new ATOM 0 HD3 PRO A 41 -13.146 -2.215 -1.767 1.00 0.65 H new ATOM 444 N ASN A 42 -13.151 1.480 0.848 1.00 0.53 N ATOM 445 CA ASN A 42 -13.631 2.762 1.441 1.00 0.58 C ATOM 446 C ASN A 42 -14.841 2.521 2.345 1.00 0.53 C ATOM 447 O ASN A 42 -14.910 3.043 3.439 1.00 0.53 O ATOM 448 CB ASN A 42 -14.022 3.724 0.318 1.00 0.68 C ATOM 449 CG ASN A 42 -14.700 4.959 0.913 1.00 1.45 C ATOM 450 OD1 ASN A 42 -14.054 5.954 1.174 1.00 2.10 O ATOM 451 ND2 ASN A 42 -15.985 4.936 1.141 1.00 2.30 N ATOM 0 H ASN A 42 -13.464 1.302 -0.106 1.00 0.53 H new ATOM 0 HA ASN A 42 -12.828 3.192 2.040 1.00 0.58 H new ATOM 0 HB2 ASN A 42 -13.137 4.019 -0.246 1.00 0.68 H new ATOM 0 HB3 ASN A 42 -14.696 3.228 -0.381 1.00 0.68 H new ATOM 0 HD21 ASN A 42 -16.447 5.754 1.538 1.00 2.30 H new ATOM 0 HD22 ASN A 42 -16.527 4.100 0.922 1.00 2.30 H new ATOM 458 N ASP A 43 -15.800 1.749 1.909 1.00 0.53 N ATOM 459 CA ASP A 43 -16.993 1.509 2.775 1.00 0.53 C ATOM 460 C ASP A 43 -16.547 0.972 4.142 1.00 0.50 C ATOM 461 O ASP A 43 -17.127 1.281 5.168 1.00 0.58 O ATOM 462 CB ASP A 43 -17.912 0.488 2.103 1.00 0.55 C ATOM 463 CG ASP A 43 -19.345 0.687 2.598 1.00 0.88 C ATOM 464 OD1 ASP A 43 -19.683 1.808 2.940 1.00 1.40 O ATOM 465 OD2 ASP A 43 -20.081 -0.286 2.628 1.00 1.55 O ATOM 0 H ASP A 43 -15.811 1.279 1.004 1.00 0.53 H new ATOM 0 HA ASP A 43 -17.528 2.448 2.916 1.00 0.53 H new ATOM 0 HB2 ASP A 43 -17.871 0.604 1.020 1.00 0.55 H new ATOM 0 HB3 ASP A 43 -17.575 -0.524 2.329 1.00 0.55 H new ATOM 470 N LYS A 44 -15.524 0.169 4.164 1.00 0.44 N ATOM 471 CA LYS A 44 -15.043 -0.396 5.455 1.00 0.42 C ATOM 472 C LYS A 44 -14.103 0.590 6.149 1.00 0.41 C ATOM 473 O LYS A 44 -14.073 0.664 7.362 1.00 0.43 O ATOM 474 CB LYS A 44 -14.306 -1.706 5.195 1.00 0.42 C ATOM 475 CG LYS A 44 -14.871 -2.798 6.105 1.00 0.58 C ATOM 476 CD LYS A 44 -15.836 -3.679 5.311 1.00 0.86 C ATOM 477 CE LYS A 44 -15.276 -5.100 5.224 1.00 1.37 C ATOM 478 NZ LYS A 44 -15.927 -5.824 4.096 1.00 1.96 N ATOM 0 H LYS A 44 -14.997 -0.123 3.341 1.00 0.44 H new ATOM 0 HA LYS A 44 -15.901 -0.579 6.101 1.00 0.42 H new ATOM 0 HB2 LYS A 44 -14.415 -1.996 4.150 1.00 0.42 H new ATOM 0 HB3 LYS A 44 -13.239 -1.579 5.381 1.00 0.42 H new ATOM 0 HG2 LYS A 44 -14.060 -3.403 6.510 1.00 0.58 H new ATOM 0 HG3 LYS A 44 -15.387 -2.348 6.953 1.00 0.58 H new ATOM 0 HD2 LYS A 44 -16.814 -3.691 5.792 1.00 0.86 H new ATOM 0 HD3 LYS A 44 -15.978 -3.271 4.310 1.00 0.86 H new ATOM 0 HE2 LYS A 44 -14.197 -5.068 5.075 1.00 1.37 H new ATOM 0 HE3 LYS A 44 -15.453 -5.630 6.160 1.00 1.37 H new ATOM 0 HZ1 LYS A 44 -15.546 -6.790 4.037 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -16.954 -5.866 4.257 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -15.736 -5.322 3.205 1.00 1.96 H new ATOM 492 N VAL A 45 -13.339 1.351 5.403 1.00 0.40 N ATOM 493 CA VAL A 45 -12.416 2.326 6.054 1.00 0.41 C ATOM 494 C VAL A 45 -13.249 3.205 6.978 1.00 0.44 C ATOM 495 O VAL A 45 -12.861 3.509 8.088 1.00 0.44 O ATOM 496 CB VAL A 45 -11.725 3.193 4.999 1.00 0.44 C ATOM 497 CG1 VAL A 45 -11.447 4.581 5.581 1.00 0.44 C ATOM 498 CG2 VAL A 45 -10.400 2.542 4.601 1.00 0.47 C ATOM 0 H VAL A 45 -13.316 1.338 4.383 1.00 0.40 H new ATOM 0 HA VAL A 45 -11.645 1.797 6.614 1.00 0.41 H new ATOM 0 HB VAL A 45 -12.370 3.285 4.125 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -10.955 5.199 4.830 1.00 0.44 H new ATOM 0 HG12 VAL A 45 -12.387 5.047 5.875 1.00 0.44 H new ATOM 0 HG13 VAL A 45 -10.801 4.487 6.454 1.00 0.44 H new ATOM 0 HG21 VAL A 45 -9.904 3.156 3.849 1.00 0.47 H new ATOM 0 HG22 VAL A 45 -9.759 2.455 5.479 1.00 0.47 H new ATOM 0 HG23 VAL A 45 -10.591 1.550 4.191 1.00 0.47 H new ATOM 508 N MET A 46 -14.407 3.596 6.527 1.00 0.52 N ATOM 509 CA MET A 46 -15.287 4.435 7.377 1.00 0.59 C ATOM 510 C MET A 46 -15.997 3.516 8.374 1.00 0.58 C ATOM 511 O MET A 46 -16.286 3.897 9.491 1.00 0.67 O ATOM 512 CB MET A 46 -16.317 5.154 6.504 1.00 0.65 C ATOM 513 CG MET A 46 -15.694 6.428 5.931 1.00 0.85 C ATOM 514 SD MET A 46 -16.199 7.851 6.929 1.00 1.37 S ATOM 515 CE MET A 46 -14.554 8.573 7.142 1.00 1.39 C ATOM 0 H MET A 46 -14.780 3.369 5.605 1.00 0.52 H new ATOM 0 HA MET A 46 -14.701 5.185 7.908 1.00 0.59 H new ATOM 0 HB2 MET A 46 -16.645 4.501 5.696 1.00 0.65 H new ATOM 0 HB3 MET A 46 -17.201 5.401 7.093 1.00 0.65 H new ATOM 0 HG2 MET A 46 -14.607 6.343 5.924 1.00 0.85 H new ATOM 0 HG3 MET A 46 -16.009 6.566 4.897 1.00 0.85 H new ATOM 0 HE1 MET A 46 -14.486 9.041 8.124 1.00 1.39 H new ATOM 0 HE2 MET A 46 -13.800 7.790 7.060 1.00 1.39 H new ATOM 0 HE3 MET A 46 -14.383 9.323 6.370 1.00 1.39 H new ATOM 525 N GLY A 47 -16.271 2.297 7.976 1.00 0.52 N ATOM 526 CA GLY A 47 -16.952 1.344 8.896 1.00 0.56 C ATOM 527 C GLY A 47 -15.947 0.868 9.961 1.00 0.60 C ATOM 528 O GLY A 47 -15.196 1.668 10.483 1.00 0.71 O ATOM 0 H GLY A 47 -16.051 1.924 7.052 1.00 0.52 H new ATOM 0 HA2 GLY A 47 -17.805 1.826 9.373 1.00 0.56 H new ATOM 0 HA3 GLY A 47 -17.339 0.492 8.336 1.00 0.56 H new ATOM 532 N PRO A 48 -15.952 -0.414 10.262 1.00 0.60 N ATOM 533 CA PRO A 48 -15.044 -0.994 11.261 1.00 0.66 C ATOM 534 C PRO A 48 -13.608 -1.044 10.722 1.00 0.60 C ATOM 535 O PRO A 48 -12.655 -1.005 11.473 1.00 0.67 O ATOM 536 CB PRO A 48 -15.560 -2.405 11.524 1.00 0.72 C ATOM 537 CG PRO A 48 -16.310 -2.746 10.215 1.00 0.92 C ATOM 538 CD PRO A 48 -16.856 -1.414 9.646 1.00 0.71 C ATOM 0 HA PRO A 48 -15.022 -0.397 12.172 1.00 0.66 H new ATOM 0 HB2 PRO A 48 -14.746 -3.104 11.717 1.00 0.72 H new ATOM 0 HB3 PRO A 48 -16.222 -2.439 12.390 1.00 0.72 H new ATOM 0 HG2 PRO A 48 -15.640 -3.225 9.501 1.00 0.92 H new ATOM 0 HG3 PRO A 48 -17.124 -3.445 10.408 1.00 0.92 H new ATOM 0 HD2 PRO A 48 -16.810 -1.388 8.557 1.00 0.71 H new ATOM 0 HD3 PRO A 48 -17.896 -1.248 9.925 1.00 0.71 H new ATOM 546 N GLY A 49 -13.444 -1.131 9.429 1.00 0.52 N ATOM 547 CA GLY A 49 -12.068 -1.183 8.854 1.00 0.50 C ATOM 548 C GLY A 49 -11.916 -2.442 7.997 1.00 0.41 C ATOM 549 O GLY A 49 -12.171 -3.543 8.442 1.00 0.63 O ATOM 0 H GLY A 49 -14.202 -1.168 8.747 1.00 0.52 H new ATOM 0 HA2 GLY A 49 -11.882 -0.295 8.250 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -11.328 -1.185 9.655 1.00 0.50 H new ATOM 553 N VAL A 50 -11.505 -2.287 6.767 1.00 0.52 N ATOM 554 CA VAL A 50 -11.341 -3.485 5.880 1.00 0.41 C ATOM 555 C VAL A 50 -10.355 -4.459 6.515 1.00 0.40 C ATOM 556 O VAL A 50 -9.761 -4.171 7.532 1.00 0.92 O ATOM 557 CB VAL A 50 -10.813 -3.088 4.495 1.00 0.46 C ATOM 558 CG1 VAL A 50 -11.983 -2.720 3.592 1.00 0.44 C ATOM 559 CG2 VAL A 50 -9.864 -1.895 4.606 1.00 0.77 C ATOM 0 H VAL A 50 -11.276 -1.391 6.336 1.00 0.52 H new ATOM 0 HA VAL A 50 -12.320 -3.950 5.763 1.00 0.41 H new ATOM 0 HB VAL A 50 -10.269 -3.933 4.072 1.00 0.46 H new ATOM 0 HG11 VAL A 50 -11.608 -2.438 2.608 1.00 0.44 H new ATOM 0 HG12 VAL A 50 -12.651 -3.576 3.494 1.00 0.44 H new ATOM 0 HG13 VAL A 50 -12.528 -1.882 4.026 1.00 0.44 H new ATOM 0 HG21 VAL A 50 -9.499 -1.627 3.615 1.00 0.77 H new ATOM 0 HG22 VAL A 50 -10.395 -1.047 5.039 1.00 0.77 H new ATOM 0 HG23 VAL A 50 -9.021 -2.159 5.244 1.00 0.77 H new ATOM 569 N SER A 51 -10.179 -5.610 5.915 1.00 0.55 N ATOM 570 CA SER A 51 -9.230 -6.616 6.474 1.00 0.43 C ATOM 571 C SER A 51 -8.975 -7.714 5.438 1.00 0.37 C ATOM 572 O SER A 51 -9.707 -8.680 5.351 1.00 0.50 O ATOM 573 CB SER A 51 -9.829 -7.236 7.737 1.00 0.46 C ATOM 574 OG SER A 51 -11.146 -7.693 7.456 1.00 0.64 O ATOM 0 H SER A 51 -10.655 -5.895 5.059 1.00 0.55 H new ATOM 0 HA SER A 51 -8.288 -6.126 6.721 1.00 0.43 H new ATOM 0 HB2 SER A 51 -9.209 -8.065 8.078 1.00 0.46 H new ATOM 0 HB3 SER A 51 -9.850 -6.501 8.542 1.00 0.46 H new ATOM 0 HG SER A 51 -11.132 -8.258 6.656 1.00 0.64 H new ATOM 580 N TYR A 52 -7.939 -7.575 4.654 1.00 0.38 N ATOM 581 CA TYR A 52 -7.637 -8.615 3.628 1.00 0.36 C ATOM 582 C TYR A 52 -6.569 -9.565 4.172 1.00 0.33 C ATOM 583 O TYR A 52 -6.281 -9.575 5.353 1.00 0.33 O ATOM 584 CB TYR A 52 -7.116 -7.951 2.353 1.00 0.47 C ATOM 585 CG TYR A 52 -7.830 -6.641 2.128 1.00 0.47 C ATOM 586 CD1 TYR A 52 -9.160 -6.632 1.692 1.00 1.05 C ATOM 587 CD2 TYR A 52 -7.158 -5.433 2.351 1.00 1.53 C ATOM 588 CE1 TYR A 52 -9.818 -5.415 1.478 1.00 1.13 C ATOM 589 CE2 TYR A 52 -7.815 -4.217 2.137 1.00 1.79 C ATOM 590 CZ TYR A 52 -9.145 -4.207 1.701 1.00 1.11 C ATOM 591 OH TYR A 52 -9.793 -3.008 1.488 1.00 1.50 O ATOM 0 H TYR A 52 -7.290 -6.788 4.680 1.00 0.38 H new ATOM 0 HA TYR A 52 -8.547 -9.170 3.400 1.00 0.36 H new ATOM 0 HB2 TYR A 52 -6.042 -7.781 2.434 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -7.271 -8.611 1.499 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -9.679 -7.564 1.521 1.00 1.05 H new ATOM 0 HD2 TYR A 52 -6.132 -5.440 2.688 1.00 1.53 H new ATOM 0 HE1 TYR A 52 -10.844 -5.408 1.141 1.00 1.13 H new ATOM 0 HE2 TYR A 52 -7.296 -3.285 2.308 1.00 1.79 H new ATOM 0 HH TYR A 52 -10.563 -3.153 0.900 1.00 1.50 H new ATOM 601 N LEU A 53 -5.973 -10.365 3.326 1.00 0.36 N ATOM 602 CA LEU A 53 -4.927 -11.304 3.819 1.00 0.39 C ATOM 603 C LEU A 53 -3.709 -11.247 2.899 1.00 0.41 C ATOM 604 O LEU A 53 -3.684 -11.850 1.844 1.00 0.46 O ATOM 605 CB LEU A 53 -5.483 -12.730 3.848 1.00 0.45 C ATOM 606 CG LEU A 53 -5.986 -13.054 5.255 1.00 0.57 C ATOM 607 CD1 LEU A 53 -7.440 -12.601 5.396 1.00 0.78 C ATOM 608 CD2 LEU A 53 -5.898 -14.563 5.491 1.00 0.89 C ATOM 0 H LEU A 53 -6.164 -10.408 2.325 1.00 0.36 H new ATOM 0 HA LEU A 53 -4.632 -11.013 4.827 1.00 0.39 H new ATOM 0 HB2 LEU A 53 -6.295 -12.829 3.128 1.00 0.45 H new ATOM 0 HB3 LEU A 53 -4.709 -13.439 3.555 1.00 0.45 H new ATOM 0 HG LEU A 53 -5.371 -12.533 5.989 1.00 0.57 H new ATOM 0 HD11 LEU A 53 -7.798 -12.832 6.399 1.00 0.78 H new ATOM 0 HD12 LEU A 53 -7.504 -11.526 5.227 1.00 0.78 H new ATOM 0 HD13 LEU A 53 -8.056 -13.121 4.662 1.00 0.78 H new ATOM 0 HD21 LEU A 53 -6.256 -14.796 6.494 1.00 0.89 H new ATOM 0 HD22 LEU A 53 -6.513 -15.083 4.756 1.00 0.89 H new ATOM 0 HD23 LEU A 53 -4.862 -14.887 5.391 1.00 0.89 H new ATOM 620 N VAL A 54 -2.697 -10.530 3.295 1.00 0.41 N ATOM 621 CA VAL A 54 -1.473 -10.433 2.454 1.00 0.45 C ATOM 622 C VAL A 54 -0.289 -10.977 3.253 1.00 0.43 C ATOM 623 O VAL A 54 -0.071 -10.602 4.388 1.00 0.47 O ATOM 624 CB VAL A 54 -1.226 -8.967 2.062 1.00 0.47 C ATOM 625 CG1 VAL A 54 -2.219 -8.060 2.791 1.00 0.48 C ATOM 626 CG2 VAL A 54 0.199 -8.553 2.439 1.00 0.65 C ATOM 0 H VAL A 54 -2.664 -10.005 4.169 1.00 0.41 H new ATOM 0 HA VAL A 54 -1.597 -11.016 1.542 1.00 0.45 H new ATOM 0 HB VAL A 54 -1.359 -8.868 0.985 1.00 0.47 H new ATOM 0 HG11 VAL A 54 -2.039 -7.023 2.509 1.00 0.48 H new ATOM 0 HG12 VAL A 54 -3.236 -8.339 2.516 1.00 0.48 H new ATOM 0 HG13 VAL A 54 -2.090 -8.171 3.868 1.00 0.48 H new ATOM 0 HG21 VAL A 54 0.362 -7.513 2.157 1.00 0.65 H new ATOM 0 HG22 VAL A 54 0.337 -8.663 3.515 1.00 0.65 H new ATOM 0 HG23 VAL A 54 0.913 -9.188 1.915 1.00 0.65 H new ATOM 636 N ARG A 55 0.477 -11.866 2.679 1.00 0.59 N ATOM 637 CA ARG A 55 1.635 -12.425 3.430 1.00 0.57 C ATOM 638 C ARG A 55 2.836 -11.485 3.309 1.00 0.53 C ATOM 639 O ARG A 55 3.173 -11.010 2.243 1.00 0.55 O ATOM 640 CB ARG A 55 1.979 -13.821 2.894 1.00 0.65 C ATOM 641 CG ARG A 55 3.308 -13.789 2.134 1.00 1.31 C ATOM 642 CD ARG A 55 3.566 -15.163 1.515 1.00 1.40 C ATOM 643 NE ARG A 55 2.820 -15.274 0.231 1.00 2.09 N ATOM 644 CZ ARG A 55 2.755 -16.420 -0.390 1.00 2.24 C ATOM 645 NH1 ARG A 55 3.794 -17.210 -0.411 1.00 2.57 N ATOM 646 NH2 ARG A 55 1.652 -16.777 -0.988 1.00 2.64 N ATOM 0 H ARG A 55 0.352 -12.225 1.733 1.00 0.59 H new ATOM 0 HA ARG A 55 1.373 -12.515 4.484 1.00 0.57 H new ATOM 0 HB2 ARG A 55 2.042 -14.529 3.720 1.00 0.65 H new ATOM 0 HB3 ARG A 55 1.184 -14.170 2.235 1.00 0.65 H new ATOM 0 HG2 ARG A 55 3.277 -13.026 1.356 1.00 1.31 H new ATOM 0 HG3 ARG A 55 4.121 -13.523 2.810 1.00 1.31 H new ATOM 0 HD2 ARG A 55 4.633 -15.302 1.342 1.00 1.40 H new ATOM 0 HD3 ARG A 55 3.250 -15.949 2.201 1.00 1.40 H new ATOM 0 HE ARG A 55 2.359 -14.454 -0.163 1.00 2.09 H new ATOM 0 HH11 ARG A 55 4.656 -16.931 0.058 1.00 2.57 H new ATOM 0 HH12 ARG A 55 3.744 -18.106 -0.896 1.00 2.57 H new ATOM 0 HH21 ARG A 55 0.840 -16.160 -0.970 1.00 2.64 H new ATOM 0 HH22 ARG A 55 1.602 -17.673 -1.473 1.00 2.64 H new ATOM 660 N TYR A 56 3.477 -11.214 4.411 1.00 0.56 N ATOM 661 CA TYR A 56 4.656 -10.306 4.406 1.00 0.54 C ATOM 662 C TYR A 56 5.877 -11.052 3.864 1.00 0.50 C ATOM 663 O TYR A 56 5.969 -12.260 3.957 1.00 0.55 O ATOM 664 CB TYR A 56 4.923 -9.845 5.841 1.00 0.60 C ATOM 665 CG TYR A 56 5.868 -8.670 5.842 1.00 0.97 C ATOM 666 CD1 TYR A 56 5.641 -7.581 4.993 1.00 1.84 C ATOM 667 CD2 TYR A 56 6.972 -8.669 6.701 1.00 1.80 C ATOM 668 CE1 TYR A 56 6.518 -6.491 5.004 1.00 2.55 C ATOM 669 CE2 TYR A 56 7.848 -7.581 6.711 1.00 2.60 C ATOM 670 CZ TYR A 56 7.621 -6.492 5.863 1.00 2.75 C ATOM 671 OH TYR A 56 8.484 -5.418 5.875 1.00 3.67 O ATOM 0 H TYR A 56 3.230 -11.589 5.327 1.00 0.56 H new ATOM 0 HA TYR A 56 4.461 -9.443 3.770 1.00 0.54 H new ATOM 0 HB2 TYR A 56 3.985 -9.567 6.322 1.00 0.60 H new ATOM 0 HB3 TYR A 56 5.349 -10.664 6.421 1.00 0.60 H new ATOM 0 HD1 TYR A 56 4.789 -7.582 4.329 1.00 1.84 H new ATOM 0 HD2 TYR A 56 7.147 -9.509 7.356 1.00 1.80 H new ATOM 0 HE1 TYR A 56 6.343 -5.650 4.350 1.00 2.55 H new ATOM 0 HE2 TYR A 56 8.701 -7.581 7.374 1.00 2.60 H new ATOM 0 HH TYR A 56 8.979 -5.406 6.720 1.00 3.67 H new ATOM 681 N MET A 57 6.815 -10.340 3.296 1.00 0.48 N ATOM 682 CA MET A 57 8.030 -11.005 2.745 1.00 0.49 C ATOM 683 C MET A 57 9.285 -10.284 3.242 1.00 0.60 C ATOM 684 O MET A 57 10.035 -9.720 2.469 1.00 1.15 O ATOM 685 CB MET A 57 7.986 -10.956 1.217 1.00 0.63 C ATOM 686 CG MET A 57 8.683 -12.192 0.645 1.00 0.69 C ATOM 687 SD MET A 57 7.891 -12.664 -0.913 1.00 1.24 S ATOM 688 CE MET A 57 8.903 -11.636 -2.006 1.00 0.79 C ATOM 0 H MET A 57 6.791 -9.326 3.190 1.00 0.48 H new ATOM 0 HA MET A 57 8.056 -12.043 3.078 1.00 0.49 H new ATOM 0 HB2 MET A 57 6.952 -10.917 0.874 1.00 0.63 H new ATOM 0 HB3 MET A 57 8.475 -10.051 0.858 1.00 0.63 H new ATOM 0 HG2 MET A 57 9.740 -11.983 0.479 1.00 0.69 H new ATOM 0 HG3 MET A 57 8.629 -13.015 1.357 1.00 0.69 H new ATOM 0 HE1 MET A 57 8.757 -11.951 -3.039 1.00 0.79 H new ATOM 0 HE2 MET A 57 8.608 -10.592 -1.900 1.00 0.79 H new ATOM 0 HE3 MET A 57 9.954 -11.745 -1.738 1.00 0.79 H new ATOM 698 N GLY A 58 9.521 -10.298 4.524 1.00 0.72 N ATOM 699 CA GLY A 58 10.730 -9.616 5.069 1.00 0.89 C ATOM 700 C GLY A 58 10.617 -8.106 4.851 1.00 0.83 C ATOM 701 O GLY A 58 9.619 -7.611 4.367 1.00 1.13 O ATOM 0 H GLY A 58 8.929 -10.752 5.219 1.00 0.72 H new ATOM 0 HA2 GLY A 58 10.832 -9.832 6.132 1.00 0.89 H new ATOM 0 HA3 GLY A 58 11.626 -9.997 4.579 1.00 0.89 H new ATOM 705 N CYS A 59 11.636 -7.371 5.208 1.00 0.53 N ATOM 706 CA CYS A 59 11.590 -5.890 5.025 1.00 0.50 C ATOM 707 C CYS A 59 12.948 -5.392 4.535 1.00 0.51 C ATOM 708 O CYS A 59 13.979 -5.778 5.048 1.00 0.53 O ATOM 709 CB CYS A 59 11.270 -5.220 6.362 1.00 0.52 C ATOM 710 SG CYS A 59 10.737 -6.471 7.555 1.00 1.35 S ATOM 0 H CYS A 59 12.498 -7.731 5.618 1.00 0.53 H new ATOM 0 HA CYS A 59 10.821 -5.643 4.293 1.00 0.50 H new ATOM 0 HB2 CYS A 59 12.149 -4.696 6.737 1.00 0.52 H new ATOM 0 HB3 CYS A 59 10.487 -4.474 6.228 1.00 0.52 H new ATOM 0 HG CYS A 59 9.699 -7.100 7.089 1.00 1.35 H new ATOM 716 N VAL A 60 12.959 -4.534 3.553 1.00 0.53 N ATOM 717 CA VAL A 60 14.255 -4.011 3.040 1.00 0.55 C ATOM 718 C VAL A 60 14.459 -2.591 3.567 1.00 0.52 C ATOM 719 O VAL A 60 13.554 -1.786 3.560 1.00 0.61 O ATOM 720 CB VAL A 60 14.228 -3.992 1.509 1.00 0.58 C ATOM 721 CG1 VAL A 60 13.798 -5.365 0.988 1.00 0.62 C ATOM 722 CG2 VAL A 60 13.232 -2.935 1.028 1.00 0.53 C ATOM 0 H VAL A 60 12.128 -4.173 3.085 1.00 0.53 H new ATOM 0 HA VAL A 60 15.072 -4.650 3.376 1.00 0.55 H new ATOM 0 HB VAL A 60 15.223 -3.754 1.134 1.00 0.58 H new ATOM 0 HG11 VAL A 60 13.779 -5.351 -0.102 1.00 0.62 H new ATOM 0 HG12 VAL A 60 14.505 -6.121 1.329 1.00 0.62 H new ATOM 0 HG13 VAL A 60 12.803 -5.602 1.365 1.00 0.62 H new ATOM 0 HG21 VAL A 60 13.213 -2.922 -0.062 1.00 0.53 H new ATOM 0 HG22 VAL A 60 12.238 -3.174 1.405 1.00 0.53 H new ATOM 0 HG23 VAL A 60 13.535 -1.955 1.397 1.00 0.53 H new ATOM 732 N GLU A 61 15.637 -2.273 4.027 1.00 0.58 N ATOM 733 CA GLU A 61 15.876 -0.899 4.551 1.00 0.58 C ATOM 734 C GLU A 61 16.598 -0.073 3.501 1.00 0.55 C ATOM 735 O GLU A 61 17.298 -0.593 2.655 1.00 0.65 O ATOM 736 CB GLU A 61 16.719 -0.968 5.826 1.00 0.62 C ATOM 737 CG GLU A 61 16.036 -1.885 6.842 1.00 0.76 C ATOM 738 CD GLU A 61 16.477 -1.499 8.255 1.00 1.26 C ATOM 739 OE1 GLU A 61 17.668 -1.327 8.455 1.00 1.88 O ATOM 740 OE2 GLU A 61 15.617 -1.382 9.112 1.00 1.84 O ATOM 0 H GLU A 61 16.440 -2.901 4.063 1.00 0.58 H new ATOM 0 HA GLU A 61 14.919 -0.431 4.783 1.00 0.58 H new ATOM 0 HB2 GLU A 61 17.716 -1.343 5.595 1.00 0.62 H new ATOM 0 HB3 GLU A 61 16.843 0.030 6.247 1.00 0.62 H new ATOM 0 HG2 GLU A 61 14.953 -1.802 6.752 1.00 0.76 H new ATOM 0 HG3 GLU A 61 16.294 -2.925 6.640 1.00 0.76 H new ATOM 747 N VAL A 62 16.423 1.215 3.544 1.00 0.52 N ATOM 748 CA VAL A 62 17.088 2.079 2.542 1.00 0.51 C ATOM 749 C VAL A 62 18.017 3.075 3.219 1.00 0.52 C ATOM 750 O VAL A 62 18.043 3.211 4.426 1.00 0.60 O ATOM 751 CB VAL A 62 16.031 2.858 1.776 1.00 0.58 C ATOM 752 CG1 VAL A 62 16.542 3.129 0.372 1.00 0.88 C ATOM 753 CG2 VAL A 62 14.742 2.045 1.702 1.00 1.01 C ATOM 0 H VAL A 62 15.848 1.704 4.230 1.00 0.52 H new ATOM 0 HA VAL A 62 17.668 1.445 1.871 1.00 0.51 H new ATOM 0 HB VAL A 62 15.828 3.800 2.286 1.00 0.58 H new ATOM 0 HG11 VAL A 62 15.791 3.688 -0.187 1.00 0.88 H new ATOM 0 HG12 VAL A 62 17.462 3.711 0.426 1.00 0.88 H new ATOM 0 HG13 VAL A 62 16.740 2.183 -0.132 1.00 0.88 H new ATOM 0 HG21 VAL A 62 13.988 2.608 1.152 1.00 1.01 H new ATOM 0 HG22 VAL A 62 14.935 1.102 1.191 1.00 1.01 H new ATOM 0 HG23 VAL A 62 14.381 1.843 2.710 1.00 1.01 H new ATOM 763 N LEU A 63 18.774 3.783 2.431 1.00 0.51 N ATOM 764 CA LEU A 63 19.703 4.790 2.991 1.00 0.56 C ATOM 765 C LEU A 63 19.698 6.022 2.084 1.00 0.58 C ATOM 766 O LEU A 63 20.672 6.742 1.993 1.00 0.62 O ATOM 767 CB LEU A 63 21.116 4.209 3.063 1.00 0.65 C ATOM 768 CG LEU A 63 21.300 3.472 4.391 1.00 0.79 C ATOM 769 CD1 LEU A 63 22.371 2.392 4.230 1.00 1.09 C ATOM 770 CD2 LEU A 63 21.738 4.467 5.468 1.00 1.13 C ATOM 0 H LEU A 63 18.786 3.703 1.414 1.00 0.51 H new ATOM 0 HA LEU A 63 19.384 5.067 3.996 1.00 0.56 H new ATOM 0 HB2 LEU A 63 21.282 3.526 2.230 1.00 0.65 H new ATOM 0 HB3 LEU A 63 21.853 5.007 2.973 1.00 0.65 H new ATOM 0 HG LEU A 63 20.358 3.009 4.684 1.00 0.79 H new ATOM 0 HD11 LEU A 63 22.503 1.866 5.176 1.00 1.09 H new ATOM 0 HD12 LEU A 63 22.061 1.684 3.461 1.00 1.09 H new ATOM 0 HD13 LEU A 63 23.314 2.855 3.938 1.00 1.09 H new ATOM 0 HD21 LEU A 63 21.870 3.944 6.415 1.00 1.13 H new ATOM 0 HD22 LEU A 63 22.681 4.929 5.175 1.00 1.13 H new ATOM 0 HD23 LEU A 63 20.976 5.238 5.582 1.00 1.13 H new ATOM 782 N GLN A 64 18.605 6.269 1.408 1.00 0.64 N ATOM 783 CA GLN A 64 18.544 7.454 0.507 1.00 0.71 C ATOM 784 C GLN A 64 17.734 8.567 1.177 1.00 0.71 C ATOM 785 O GLN A 64 17.192 8.394 2.251 1.00 0.75 O ATOM 786 CB GLN A 64 17.874 7.056 -0.810 1.00 0.76 C ATOM 787 CG GLN A 64 16.360 6.974 -0.610 1.00 1.44 C ATOM 788 CD GLN A 64 15.746 6.106 -1.710 1.00 2.26 C ATOM 789 OE1 GLN A 64 16.183 4.995 -1.939 1.00 2.74 O ATOM 790 NE2 GLN A 64 14.744 6.568 -2.407 1.00 3.01 N ATOM 0 H GLN A 64 17.757 5.703 1.442 1.00 0.64 H new ATOM 0 HA GLN A 64 19.554 7.812 0.309 1.00 0.71 H new ATOM 0 HB2 GLN A 64 18.110 7.785 -1.585 1.00 0.76 H new ATOM 0 HB3 GLN A 64 18.259 6.094 -1.150 1.00 0.76 H new ATOM 0 HG2 GLN A 64 16.134 6.552 0.369 1.00 1.44 H new ATOM 0 HG3 GLN A 64 15.925 7.973 -0.635 1.00 1.44 H new ATOM 0 HE21 GLN A 64 14.376 7.500 -2.216 1.00 3.01 H new ATOM 0 HE22 GLN A 64 14.328 5.997 -3.143 1.00 3.01 H new ATOM 799 N SER A 65 17.648 9.709 0.551 1.00 0.76 N ATOM 800 CA SER A 65 16.874 10.833 1.150 1.00 0.81 C ATOM 801 C SER A 65 15.403 10.430 1.269 1.00 0.80 C ATOM 802 O SER A 65 15.038 9.298 1.024 1.00 0.99 O ATOM 803 CB SER A 65 16.994 12.068 0.255 1.00 0.92 C ATOM 804 OG SER A 65 17.494 13.157 1.021 1.00 1.22 O ATOM 0 H SER A 65 18.081 9.912 -0.350 1.00 0.76 H new ATOM 0 HA SER A 65 17.270 11.062 2.139 1.00 0.81 H new ATOM 0 HB2 SER A 65 17.661 11.861 -0.582 1.00 0.92 H new ATOM 0 HB3 SER A 65 16.021 12.321 -0.167 1.00 0.92 H new ATOM 0 HG SER A 65 17.574 13.949 0.450 1.00 1.22 H new ATOM 810 N MET A 66 14.554 11.349 1.642 1.00 0.97 N ATOM 811 CA MET A 66 13.107 11.016 1.775 1.00 1.07 C ATOM 812 C MET A 66 12.273 12.084 1.065 1.00 0.95 C ATOM 813 O MET A 66 12.799 13.041 0.533 1.00 1.47 O ATOM 814 CB MET A 66 12.728 10.970 3.257 1.00 1.49 C ATOM 815 CG MET A 66 11.806 9.776 3.515 1.00 2.27 C ATOM 816 SD MET A 66 12.532 8.281 2.801 1.00 2.79 S ATOM 817 CE MET A 66 11.125 7.824 1.758 1.00 2.71 C ATOM 0 H MET A 66 14.799 12.315 1.860 1.00 0.97 H new ATOM 0 HA MET A 66 12.913 10.044 1.322 1.00 1.07 H new ATOM 0 HB2 MET A 66 13.626 10.888 3.870 1.00 1.49 H new ATOM 0 HB3 MET A 66 12.229 11.896 3.544 1.00 1.49 H new ATOM 0 HG2 MET A 66 11.657 9.644 4.587 1.00 2.27 H new ATOM 0 HG3 MET A 66 10.825 9.960 3.077 1.00 2.27 H new ATOM 0 HE1 MET A 66 11.184 6.764 1.512 1.00 2.71 H new ATOM 0 HE2 MET A 66 10.196 8.022 2.293 1.00 2.71 H new ATOM 0 HE3 MET A 66 11.147 8.411 0.840 1.00 2.71 H new ATOM 827 N ARG A 67 10.977 11.928 1.051 1.00 0.90 N ATOM 828 CA ARG A 67 10.113 12.935 0.372 1.00 1.04 C ATOM 829 C ARG A 67 10.583 13.099 -1.075 1.00 1.04 C ATOM 830 O ARG A 67 10.948 14.177 -1.503 1.00 1.39 O ATOM 831 CB ARG A 67 10.217 14.275 1.105 1.00 1.21 C ATOM 832 CG ARG A 67 9.345 14.241 2.363 1.00 1.24 C ATOM 833 CD ARG A 67 10.239 14.178 3.602 1.00 1.84 C ATOM 834 NE ARG A 67 9.417 14.426 4.819 1.00 2.71 N ATOM 835 CZ ARG A 67 9.958 14.973 5.872 1.00 3.34 C ATOM 836 NH1 ARG A 67 10.327 16.224 5.839 1.00 3.95 N ATOM 837 NH2 ARG A 67 10.129 14.269 6.957 1.00 3.77 N ATOM 0 H ARG A 67 10.480 11.148 1.480 1.00 0.90 H new ATOM 0 HA ARG A 67 9.075 12.602 0.384 1.00 1.04 H new ATOM 0 HB2 ARG A 67 11.254 14.474 1.374 1.00 1.21 H new ATOM 0 HB3 ARG A 67 9.897 15.085 0.450 1.00 1.21 H new ATOM 0 HG2 ARG A 67 8.712 15.127 2.403 1.00 1.24 H new ATOM 0 HG3 ARG A 67 8.682 13.376 2.336 1.00 1.24 H new ATOM 0 HD2 ARG A 67 10.720 13.202 3.667 1.00 1.84 H new ATOM 0 HD3 ARG A 67 11.033 14.921 3.529 1.00 1.84 H new ATOM 0 HE ARG A 67 8.430 14.168 4.829 1.00 2.71 H new ATOM 0 HH11 ARG A 67 10.192 16.773 4.990 1.00 3.95 H new ATOM 0 HH12 ARG A 67 10.750 16.653 6.662 1.00 3.95 H new ATOM 0 HH21 ARG A 67 9.840 13.291 6.981 1.00 3.77 H new ATOM 0 HH22 ARG A 67 10.552 14.696 7.781 1.00 3.77 H new ATOM 851 N ALA A 68 10.578 12.035 -1.832 1.00 0.87 N ATOM 852 CA ALA A 68 11.022 12.116 -3.247 1.00 0.88 C ATOM 853 C ALA A 68 10.152 11.189 -4.091 1.00 0.78 C ATOM 854 O ALA A 68 9.625 10.209 -3.602 1.00 0.82 O ATOM 855 CB ALA A 68 12.481 11.670 -3.345 1.00 1.00 C ATOM 0 H ALA A 68 10.283 11.108 -1.526 1.00 0.87 H new ATOM 0 HA ALA A 68 10.930 13.141 -3.607 1.00 0.88 H new ATOM 0 HB1 ALA A 68 12.810 11.728 -4.382 1.00 1.00 H new ATOM 0 HB2 ALA A 68 13.103 12.321 -2.730 1.00 1.00 H new ATOM 0 HB3 ALA A 68 12.572 10.643 -2.993 1.00 1.00 H new ATOM 861 N LEU A 69 9.995 11.483 -5.351 1.00 0.84 N ATOM 862 CA LEU A 69 9.156 10.606 -6.211 1.00 0.88 C ATOM 863 C LEU A 69 10.025 10.006 -7.321 1.00 0.84 C ATOM 864 O LEU A 69 10.354 8.840 -7.291 1.00 1.65 O ATOM 865 CB LEU A 69 8.010 11.436 -6.812 1.00 1.11 C ATOM 866 CG LEU A 69 7.108 10.566 -7.702 1.00 1.23 C ATOM 867 CD1 LEU A 69 7.694 10.499 -9.112 1.00 1.92 C ATOM 868 CD2 LEU A 69 7.000 9.151 -7.127 1.00 1.32 C ATOM 0 H LEU A 69 10.409 12.288 -5.820 1.00 0.84 H new ATOM 0 HA LEU A 69 8.732 9.794 -5.620 1.00 0.88 H new ATOM 0 HB2 LEU A 69 7.418 11.879 -6.011 1.00 1.11 H new ATOM 0 HB3 LEU A 69 8.420 12.259 -7.398 1.00 1.11 H new ATOM 0 HG LEU A 69 6.113 11.010 -7.737 1.00 1.23 H new ATOM 0 HD11 LEU A 69 7.054 9.882 -9.743 1.00 1.92 H new ATOM 0 HD12 LEU A 69 7.754 11.504 -9.529 1.00 1.92 H new ATOM 0 HD13 LEU A 69 8.692 10.063 -9.071 1.00 1.92 H new ATOM 0 HD21 LEU A 69 6.358 8.546 -7.767 1.00 1.32 H new ATOM 0 HD22 LEU A 69 7.992 8.701 -7.078 1.00 1.32 H new ATOM 0 HD23 LEU A 69 6.573 9.197 -6.125 1.00 1.32 H new ATOM 880 N ASP A 70 10.403 10.796 -8.294 1.00 0.93 N ATOM 881 CA ASP A 70 11.255 10.278 -9.411 1.00 0.80 C ATOM 882 C ASP A 70 10.539 9.127 -10.125 1.00 0.82 C ATOM 883 O ASP A 70 10.399 8.041 -9.601 1.00 0.85 O ATOM 884 CB ASP A 70 12.589 9.774 -8.866 1.00 0.78 C ATOM 885 CG ASP A 70 12.946 10.525 -7.581 1.00 1.22 C ATOM 886 OD1 ASP A 70 13.505 11.604 -7.685 1.00 1.71 O ATOM 887 OD2 ASP A 70 12.654 10.007 -6.516 1.00 1.85 O ATOM 0 H ASP A 70 10.157 11.783 -8.364 1.00 0.93 H new ATOM 0 HA ASP A 70 11.435 11.091 -10.115 1.00 0.80 H new ATOM 0 HB2 ASP A 70 12.529 8.704 -8.667 1.00 0.78 H new ATOM 0 HB3 ASP A 70 13.373 9.917 -9.610 1.00 0.78 H new ATOM 892 N PHE A 71 10.088 9.362 -11.321 1.00 0.87 N ATOM 893 CA PHE A 71 9.378 8.292 -12.080 1.00 0.95 C ATOM 894 C PHE A 71 10.374 7.232 -12.557 1.00 0.86 C ATOM 895 O PHE A 71 10.026 6.083 -12.743 1.00 0.93 O ATOM 896 CB PHE A 71 8.681 8.911 -13.294 1.00 1.08 C ATOM 897 CG PHE A 71 7.318 8.286 -13.465 1.00 1.63 C ATOM 898 CD1 PHE A 71 7.194 7.031 -14.074 1.00 2.14 C ATOM 899 CD2 PHE A 71 6.177 8.960 -13.014 1.00 2.57 C ATOM 900 CE1 PHE A 71 5.930 6.451 -14.233 1.00 3.00 C ATOM 901 CE2 PHE A 71 4.913 8.380 -13.172 1.00 3.37 C ATOM 902 CZ PHE A 71 4.789 7.126 -13.781 1.00 3.44 C ATOM 0 H PHE A 71 10.179 10.252 -11.811 1.00 0.87 H new ATOM 0 HA PHE A 71 8.643 7.822 -11.427 1.00 0.95 H new ATOM 0 HB2 PHE A 71 8.585 9.989 -13.161 1.00 1.08 H new ATOM 0 HB3 PHE A 71 9.280 8.753 -14.191 1.00 1.08 H new ATOM 0 HD1 PHE A 71 8.074 6.510 -14.421 1.00 2.14 H new ATOM 0 HD2 PHE A 71 6.272 9.928 -12.544 1.00 2.57 H new ATOM 0 HE1 PHE A 71 5.835 5.484 -14.704 1.00 3.00 H new ATOM 0 HE2 PHE A 71 4.033 8.900 -12.824 1.00 3.37 H new ATOM 0 HZ PHE A 71 3.813 6.679 -13.902 1.00 3.44 H new ATOM 912 N ASN A 72 11.608 7.602 -12.762 1.00 0.76 N ATOM 913 CA ASN A 72 12.612 6.605 -13.232 1.00 0.73 C ATOM 914 C ASN A 72 13.459 6.120 -12.053 1.00 0.67 C ATOM 915 O ASN A 72 13.795 4.956 -11.955 1.00 0.68 O ATOM 916 CB ASN A 72 13.522 7.253 -14.277 1.00 0.72 C ATOM 917 CG ASN A 72 13.155 6.730 -15.667 1.00 1.02 C ATOM 918 OD1 ASN A 72 12.066 6.231 -15.872 1.00 1.92 O ATOM 919 ND2 ASN A 72 14.022 6.825 -16.637 1.00 1.25 N ATOM 0 H ASN A 72 11.964 8.548 -12.625 1.00 0.76 H new ATOM 0 HA ASN A 72 12.091 5.755 -13.673 1.00 0.73 H new ATOM 0 HB2 ASN A 72 13.416 8.337 -14.245 1.00 0.72 H new ATOM 0 HB3 ASN A 72 14.565 7.028 -14.056 1.00 0.72 H new ATOM 0 HD21 ASN A 72 13.786 6.480 -17.568 1.00 1.25 H new ATOM 0 HD22 ASN A 72 14.936 7.244 -16.465 1.00 1.25 H new ATOM 926 N THR A 73 13.811 7.002 -11.160 1.00 0.67 N ATOM 927 CA THR A 73 14.640 6.588 -9.993 1.00 0.69 C ATOM 928 C THR A 73 13.812 5.714 -9.047 1.00 0.70 C ATOM 929 O THR A 73 14.340 4.871 -8.349 1.00 0.75 O ATOM 930 CB THR A 73 15.123 7.833 -9.246 1.00 0.70 C ATOM 931 OG1 THR A 73 15.270 8.907 -10.165 1.00 0.83 O ATOM 932 CG2 THR A 73 16.469 7.541 -8.581 1.00 0.65 C ATOM 0 H THR A 73 13.561 7.991 -11.187 1.00 0.67 H new ATOM 0 HA THR A 73 15.498 6.016 -10.347 1.00 0.69 H new ATOM 0 HB THR A 73 14.394 8.105 -8.482 1.00 0.70 H new ATOM 0 HG1 THR A 73 15.469 9.732 -9.675 1.00 0.83 H new ATOM 0 HG21 THR A 73 16.812 8.428 -8.049 1.00 0.65 H new ATOM 0 HG22 THR A 73 16.356 6.717 -7.877 1.00 0.65 H new ATOM 0 HG23 THR A 73 17.200 7.269 -9.343 1.00 0.65 H new ATOM 940 N ARG A 74 12.521 5.905 -9.013 1.00 0.71 N ATOM 941 CA ARG A 74 11.676 5.079 -8.104 1.00 0.76 C ATOM 942 C ARG A 74 11.508 3.673 -8.680 1.00 0.72 C ATOM 943 O ARG A 74 11.390 2.710 -7.954 1.00 0.69 O ATOM 944 CB ARG A 74 10.298 5.724 -7.956 1.00 0.84 C ATOM 945 CG ARG A 74 9.347 4.739 -7.275 1.00 1.20 C ATOM 946 CD ARG A 74 8.485 5.483 -6.255 1.00 1.36 C ATOM 947 NE ARG A 74 7.383 4.593 -5.794 1.00 1.92 N ATOM 948 CZ ARG A 74 7.486 3.965 -4.654 1.00 2.41 C ATOM 949 NH1 ARG A 74 8.637 3.480 -4.278 1.00 2.88 N ATOM 950 NH2 ARG A 74 6.437 3.825 -3.890 1.00 3.05 N ATOM 0 H ARG A 74 12.017 6.593 -9.572 1.00 0.71 H new ATOM 0 HA ARG A 74 12.162 5.017 -7.130 1.00 0.76 H new ATOM 0 HB2 ARG A 74 10.374 6.639 -7.368 1.00 0.84 H new ATOM 0 HB3 ARG A 74 9.909 6.005 -8.935 1.00 0.84 H new ATOM 0 HG2 ARG A 74 8.713 4.256 -8.019 1.00 1.20 H new ATOM 0 HG3 ARG A 74 9.915 3.951 -6.781 1.00 1.20 H new ATOM 0 HD2 ARG A 74 9.094 5.795 -5.407 1.00 1.36 H new ATOM 0 HD3 ARG A 74 8.073 6.388 -6.702 1.00 1.36 H new ATOM 0 HE ARG A 74 6.549 4.474 -6.369 1.00 1.92 H new ATOM 0 HH11 ARG A 74 9.457 3.591 -4.875 1.00 2.88 H new ATOM 0 HH12 ARG A 74 8.717 2.989 -3.387 1.00 2.88 H new ATOM 0 HH21 ARG A 74 5.538 4.206 -4.184 1.00 3.05 H new ATOM 0 HH22 ARG A 74 6.517 3.334 -2.999 1.00 3.05 H new ATOM 964 N THR A 75 11.491 3.545 -9.976 1.00 0.74 N ATOM 965 CA THR A 75 11.323 2.195 -10.585 1.00 0.74 C ATOM 966 C THR A 75 12.662 1.453 -10.603 1.00 0.69 C ATOM 967 O THR A 75 12.707 0.240 -10.589 1.00 0.65 O ATOM 968 CB THR A 75 10.806 2.345 -12.017 1.00 0.84 C ATOM 969 OG1 THR A 75 11.462 3.438 -12.644 1.00 0.91 O ATOM 970 CG2 THR A 75 9.298 2.598 -11.992 1.00 1.24 C ATOM 0 H THR A 75 11.586 4.314 -10.640 1.00 0.74 H new ATOM 0 HA THR A 75 10.609 1.624 -9.992 1.00 0.74 H new ATOM 0 HB THR A 75 11.010 1.431 -12.575 1.00 0.84 H new ATOM 0 HG1 THR A 75 10.880 4.226 -12.621 1.00 0.91 H new ATOM 0 HG21 THR A 75 8.930 2.705 -13.012 1.00 1.24 H new ATOM 0 HG22 THR A 75 8.796 1.758 -11.511 1.00 1.24 H new ATOM 0 HG23 THR A 75 9.092 3.512 -11.434 1.00 1.24 H new ATOM 978 N GLN A 76 13.754 2.167 -10.637 1.00 0.71 N ATOM 979 CA GLN A 76 15.083 1.490 -10.660 1.00 0.71 C ATOM 980 C GLN A 76 15.453 1.000 -9.258 1.00 0.65 C ATOM 981 O GLN A 76 15.890 -0.120 -9.081 1.00 0.62 O ATOM 982 CB GLN A 76 16.147 2.475 -11.147 1.00 0.79 C ATOM 983 CG GLN A 76 15.945 2.754 -12.637 1.00 0.88 C ATOM 984 CD GLN A 76 16.582 4.098 -12.994 1.00 1.05 C ATOM 985 OE1 GLN A 76 16.807 4.925 -12.132 1.00 1.66 O ATOM 986 NE2 GLN A 76 16.884 4.354 -14.238 1.00 1.48 N ATOM 0 H GLN A 76 13.784 3.186 -10.650 1.00 0.71 H new ATOM 0 HA GLN A 76 15.032 0.635 -11.334 1.00 0.71 H new ATOM 0 HB2 GLN A 76 16.083 3.404 -10.581 1.00 0.79 H new ATOM 0 HB3 GLN A 76 17.142 2.065 -10.975 1.00 0.79 H new ATOM 0 HG2 GLN A 76 16.393 1.958 -13.231 1.00 0.88 H new ATOM 0 HG3 GLN A 76 14.881 2.769 -12.874 1.00 0.88 H new ATOM 0 HE21 GLN A 76 16.695 3.660 -14.962 1.00 1.48 H new ATOM 0 HE22 GLN A 76 17.309 5.248 -14.486 1.00 1.48 H new ATOM 995 N VAL A 77 15.290 1.824 -8.261 1.00 0.67 N ATOM 996 CA VAL A 77 15.644 1.393 -6.879 1.00 0.64 C ATOM 997 C VAL A 77 14.556 0.471 -6.321 1.00 0.59 C ATOM 998 O VAL A 77 14.840 -0.497 -5.641 1.00 0.56 O ATOM 999 CB VAL A 77 15.786 2.625 -5.981 1.00 0.68 C ATOM 1000 CG1 VAL A 77 14.405 3.211 -5.683 1.00 0.71 C ATOM 1001 CG2 VAL A 77 16.461 2.221 -4.668 1.00 0.63 C ATOM 0 H VAL A 77 14.928 2.774 -8.342 1.00 0.67 H new ATOM 0 HA VAL A 77 16.589 0.850 -6.905 1.00 0.64 H new ATOM 0 HB VAL A 77 16.392 3.374 -6.490 1.00 0.68 H new ATOM 0 HG11 VAL A 77 14.512 4.087 -5.044 1.00 0.71 H new ATOM 0 HG12 VAL A 77 13.923 3.500 -6.617 1.00 0.71 H new ATOM 0 HG13 VAL A 77 13.795 2.464 -5.176 1.00 0.71 H new ATOM 0 HG21 VAL A 77 16.563 3.097 -4.027 1.00 0.63 H new ATOM 0 HG22 VAL A 77 15.854 1.470 -4.163 1.00 0.63 H new ATOM 0 HG23 VAL A 77 17.448 1.808 -4.878 1.00 0.63 H new ATOM 1011 N THR A 78 13.313 0.760 -6.597 1.00 0.60 N ATOM 1012 CA THR A 78 12.219 -0.105 -6.072 1.00 0.57 C ATOM 1013 C THR A 78 12.259 -1.468 -6.762 1.00 0.53 C ATOM 1014 O THR A 78 12.113 -2.490 -6.127 1.00 0.54 O ATOM 1015 CB THR A 78 10.863 0.556 -6.331 1.00 0.61 C ATOM 1016 OG1 THR A 78 10.830 1.829 -5.702 1.00 0.95 O ATOM 1017 CG2 THR A 78 9.749 -0.324 -5.763 1.00 1.01 C ATOM 0 H THR A 78 13.009 1.554 -7.161 1.00 0.60 H new ATOM 0 HA THR A 78 12.358 -0.238 -4.999 1.00 0.57 H new ATOM 0 HB THR A 78 10.717 0.677 -7.404 1.00 0.61 H new ATOM 0 HG1 THR A 78 11.340 2.472 -6.238 1.00 0.95 H new ATOM 0 HG21 THR A 78 8.783 0.147 -5.948 1.00 1.01 H new ATOM 0 HG22 THR A 78 9.775 -1.301 -6.246 1.00 1.01 H new ATOM 0 HG23 THR A 78 9.894 -0.446 -4.690 1.00 1.01 H new ATOM 1025 N ARG A 79 12.455 -1.499 -8.052 1.00 0.52 N ATOM 1026 CA ARG A 79 12.500 -2.811 -8.759 1.00 0.51 C ATOM 1027 C ARG A 79 13.822 -3.517 -8.450 1.00 0.50 C ATOM 1028 O ARG A 79 13.907 -4.727 -8.478 1.00 0.49 O ATOM 1029 CB ARG A 79 12.382 -2.591 -10.268 1.00 0.57 C ATOM 1030 CG ARG A 79 13.763 -2.277 -10.848 1.00 1.44 C ATOM 1031 CD ARG A 79 13.609 -1.736 -12.271 1.00 1.74 C ATOM 1032 NE ARG A 79 13.680 -2.864 -13.242 1.00 1.77 N ATOM 1033 CZ ARG A 79 12.781 -2.974 -14.182 1.00 2.11 C ATOM 1034 NH1 ARG A 79 11.646 -3.567 -13.933 1.00 2.47 N ATOM 1035 NH2 ARG A 79 13.017 -2.491 -15.371 1.00 2.74 N ATOM 0 H ARG A 79 12.585 -0.679 -8.644 1.00 0.52 H new ATOM 0 HA ARG A 79 11.669 -3.429 -8.418 1.00 0.51 H new ATOM 0 HB2 ARG A 79 11.969 -3.480 -10.745 1.00 0.57 H new ATOM 0 HB3 ARG A 79 11.694 -1.771 -10.474 1.00 0.57 H new ATOM 0 HG2 ARG A 79 14.274 -1.545 -10.223 1.00 1.44 H new ATOM 0 HG3 ARG A 79 14.379 -3.176 -10.854 1.00 1.44 H new ATOM 0 HD2 ARG A 79 12.657 -1.215 -12.372 1.00 1.74 H new ATOM 0 HD3 ARG A 79 14.394 -1.010 -12.482 1.00 1.74 H new ATOM 0 HE ARG A 79 14.431 -3.550 -13.172 1.00 1.77 H new ATOM 0 HH11 ARG A 79 11.461 -3.945 -13.004 1.00 2.47 H new ATOM 0 HH12 ARG A 79 10.944 -3.653 -14.668 1.00 2.47 H new ATOM 0 HH21 ARG A 79 13.904 -2.027 -15.566 1.00 2.74 H new ATOM 0 HH22 ARG A 79 12.314 -2.577 -16.105 1.00 2.74 H new ATOM 1049 N GLU A 80 14.854 -2.773 -8.156 1.00 0.52 N ATOM 1050 CA GLU A 80 16.164 -3.412 -7.846 1.00 0.55 C ATOM 1051 C GLU A 80 16.042 -4.224 -6.554 1.00 0.51 C ATOM 1052 O GLU A 80 16.236 -5.426 -6.542 1.00 0.52 O ATOM 1053 CB GLU A 80 17.231 -2.330 -7.668 1.00 0.62 C ATOM 1054 CG GLU A 80 18.533 -2.971 -7.180 1.00 1.22 C ATOM 1055 CD GLU A 80 18.965 -4.061 -8.162 1.00 1.49 C ATOM 1056 OE1 GLU A 80 19.666 -3.737 -9.106 1.00 2.16 O ATOM 1057 OE2 GLU A 80 18.589 -5.203 -7.952 1.00 1.97 O ATOM 0 H GLU A 80 14.846 -1.754 -8.117 1.00 0.52 H new ATOM 0 HA GLU A 80 16.449 -4.072 -8.666 1.00 0.55 H new ATOM 0 HB2 GLU A 80 17.400 -1.812 -8.612 1.00 0.62 H new ATOM 0 HB3 GLU A 80 16.890 -1.583 -6.951 1.00 0.62 H new ATOM 0 HG2 GLU A 80 19.313 -2.215 -7.094 1.00 1.22 H new ATOM 0 HG3 GLU A 80 18.391 -3.397 -6.187 1.00 1.22 H new ATOM 1064 N ALA A 81 15.720 -3.581 -5.464 1.00 0.50 N ATOM 1065 CA ALA A 81 15.586 -4.325 -4.179 1.00 0.49 C ATOM 1066 C ALA A 81 14.493 -5.386 -4.326 1.00 0.44 C ATOM 1067 O ALA A 81 14.701 -6.553 -4.052 1.00 0.42 O ATOM 1068 CB ALA A 81 15.207 -3.350 -3.062 1.00 0.53 C ATOM 0 H ALA A 81 15.545 -2.578 -5.408 1.00 0.50 H new ATOM 0 HA ALA A 81 16.532 -4.806 -3.931 1.00 0.49 H new ATOM 0 HB1 ALA A 81 15.109 -3.894 -2.122 1.00 0.53 H new ATOM 0 HB2 ALA A 81 15.983 -2.591 -2.963 1.00 0.53 H new ATOM 0 HB3 ALA A 81 14.259 -2.870 -3.304 1.00 0.53 H new ATOM 1074 N ILE A 82 13.330 -4.987 -4.763 1.00 0.43 N ATOM 1075 CA ILE A 82 12.216 -5.962 -4.936 1.00 0.39 C ATOM 1076 C ILE A 82 12.678 -7.126 -5.815 1.00 0.38 C ATOM 1077 O ILE A 82 12.146 -8.214 -5.742 1.00 0.37 O ATOM 1078 CB ILE A 82 11.028 -5.263 -5.599 1.00 0.42 C ATOM 1079 CG1 ILE A 82 10.229 -4.505 -4.536 1.00 0.48 C ATOM 1080 CG2 ILE A 82 10.130 -6.302 -6.269 1.00 0.44 C ATOM 1081 CD1 ILE A 82 9.405 -3.405 -5.205 1.00 0.68 C ATOM 0 H ILE A 82 13.103 -4.024 -5.009 1.00 0.43 H new ATOM 0 HA ILE A 82 11.918 -6.345 -3.960 1.00 0.39 H new ATOM 0 HB ILE A 82 11.391 -4.563 -6.351 1.00 0.42 H new ATOM 0 HG12 ILE A 82 9.573 -5.191 -4.001 1.00 0.48 H new ATOM 0 HG13 ILE A 82 10.905 -4.071 -3.799 1.00 0.48 H new ATOM 0 HG21 ILE A 82 9.284 -5.802 -6.741 1.00 0.44 H new ATOM 0 HG22 ILE A 82 10.700 -6.842 -7.025 1.00 0.44 H new ATOM 0 HG23 ILE A 82 9.764 -7.004 -5.520 1.00 0.44 H new ATOM 0 HD11 ILE A 82 8.836 -2.865 -4.448 1.00 0.68 H new ATOM 0 HD12 ILE A 82 10.072 -2.713 -5.720 1.00 0.68 H new ATOM 0 HD13 ILE A 82 8.719 -3.851 -5.925 1.00 0.68 H new ATOM 1093 N SER A 83 13.662 -6.912 -6.647 1.00 0.40 N ATOM 1094 CA SER A 83 14.146 -8.016 -7.520 1.00 0.42 C ATOM 1095 C SER A 83 14.983 -8.983 -6.682 1.00 0.44 C ATOM 1096 O SER A 83 14.881 -10.185 -6.816 1.00 0.47 O ATOM 1097 CB SER A 83 15.005 -7.439 -8.647 1.00 0.46 C ATOM 1098 OG SER A 83 16.070 -8.336 -8.932 1.00 1.31 O ATOM 0 H SER A 83 14.149 -6.023 -6.758 1.00 0.40 H new ATOM 0 HA SER A 83 13.296 -8.544 -7.952 1.00 0.42 H new ATOM 0 HB2 SER A 83 14.398 -7.282 -9.539 1.00 0.46 H new ATOM 0 HB3 SER A 83 15.402 -6.466 -8.356 1.00 0.46 H new ATOM 0 HG SER A 83 16.621 -7.970 -9.655 1.00 1.31 H new ATOM 1104 N LEU A 84 15.809 -8.464 -5.815 1.00 0.44 N ATOM 1105 CA LEU A 84 16.652 -9.352 -4.963 1.00 0.47 C ATOM 1106 C LEU A 84 15.769 -10.116 -3.975 1.00 0.46 C ATOM 1107 O LEU A 84 16.136 -11.166 -3.494 1.00 0.49 O ATOM 1108 CB LEU A 84 17.669 -8.507 -4.193 1.00 0.50 C ATOM 1109 CG LEU A 84 19.082 -9.016 -4.486 1.00 0.63 C ATOM 1110 CD1 LEU A 84 20.053 -7.835 -4.526 1.00 0.92 C ATOM 1111 CD2 LEU A 84 19.511 -9.989 -3.385 1.00 0.94 C ATOM 0 H LEU A 84 15.937 -7.464 -5.659 1.00 0.44 H new ATOM 0 HA LEU A 84 17.177 -10.065 -5.599 1.00 0.47 H new ATOM 0 HB2 LEU A 84 17.581 -7.460 -4.482 1.00 0.50 H new ATOM 0 HB3 LEU A 84 17.466 -8.560 -3.123 1.00 0.50 H new ATOM 0 HG LEU A 84 19.091 -9.527 -5.449 1.00 0.63 H new ATOM 0 HD11 LEU A 84 21.059 -8.198 -4.735 1.00 0.92 H new ATOM 0 HD12 LEU A 84 19.749 -7.140 -5.309 1.00 0.92 H new ATOM 0 HD13 LEU A 84 20.044 -7.324 -3.563 1.00 0.92 H new ATOM 0 HD21 LEU A 84 20.517 -10.352 -3.592 1.00 0.94 H new ATOM 0 HD22 LEU A 84 19.501 -9.477 -2.423 1.00 0.94 H new ATOM 0 HD23 LEU A 84 18.820 -10.832 -3.355 1.00 0.94 H new ATOM 1123 N VAL A 85 14.609 -9.609 -3.664 1.00 0.43 N ATOM 1124 CA VAL A 85 13.731 -10.335 -2.706 1.00 0.44 C ATOM 1125 C VAL A 85 12.986 -11.449 -3.448 1.00 0.45 C ATOM 1126 O VAL A 85 13.100 -12.612 -3.121 1.00 0.52 O ATOM 1127 CB VAL A 85 12.724 -9.366 -2.084 1.00 0.42 C ATOM 1128 CG1 VAL A 85 12.259 -9.921 -0.737 1.00 0.45 C ATOM 1129 CG2 VAL A 85 13.391 -8.003 -1.870 1.00 0.41 C ATOM 0 H VAL A 85 14.234 -8.733 -4.027 1.00 0.43 H new ATOM 0 HA VAL A 85 14.341 -10.768 -1.913 1.00 0.44 H new ATOM 0 HB VAL A 85 11.868 -9.250 -2.749 1.00 0.42 H new ATOM 0 HG11 VAL A 85 11.541 -9.234 -0.289 1.00 0.45 H new ATOM 0 HG12 VAL A 85 11.787 -10.892 -0.887 1.00 0.45 H new ATOM 0 HG13 VAL A 85 13.117 -10.033 -0.074 1.00 0.45 H new ATOM 0 HG21 VAL A 85 12.674 -7.312 -1.427 1.00 0.41 H new ATOM 0 HG22 VAL A 85 14.245 -8.117 -1.203 1.00 0.41 H new ATOM 0 HG23 VAL A 85 13.729 -7.609 -2.828 1.00 0.41 H new ATOM 1139 N CYS A 86 12.225 -11.105 -4.446 1.00 0.43 N ATOM 1140 CA CYS A 86 11.476 -12.146 -5.207 1.00 0.46 C ATOM 1141 C CYS A 86 12.453 -13.145 -5.844 1.00 0.49 C ATOM 1142 O CYS A 86 12.075 -14.242 -6.207 1.00 0.52 O ATOM 1143 CB CYS A 86 10.655 -11.472 -6.309 1.00 0.47 C ATOM 1144 SG CYS A 86 9.315 -10.512 -5.562 1.00 1.47 S ATOM 0 H CYS A 86 12.088 -10.148 -4.770 1.00 0.43 H new ATOM 0 HA CYS A 86 10.817 -12.680 -4.523 1.00 0.46 H new ATOM 0 HB2 CYS A 86 11.294 -10.821 -6.906 1.00 0.47 H new ATOM 0 HB3 CYS A 86 10.246 -12.224 -6.984 1.00 0.47 H new ATOM 0 HG CYS A 86 8.619 -9.938 -6.498 1.00 1.47 H new ATOM 1150 N GLU A 87 13.701 -12.781 -5.992 1.00 0.51 N ATOM 1151 CA GLU A 87 14.680 -13.721 -6.614 1.00 0.57 C ATOM 1152 C GLU A 87 15.523 -14.408 -5.534 1.00 0.59 C ATOM 1153 O GLU A 87 15.416 -15.599 -5.318 1.00 0.63 O ATOM 1154 CB GLU A 87 15.600 -12.942 -7.556 1.00 0.59 C ATOM 1155 CG GLU A 87 14.793 -12.433 -8.751 1.00 1.04 C ATOM 1156 CD GLU A 87 15.402 -12.975 -10.046 1.00 1.56 C ATOM 1157 OE1 GLU A 87 16.555 -12.674 -10.306 1.00 2.03 O ATOM 1158 OE2 GLU A 87 14.705 -13.682 -10.754 1.00 2.28 O ATOM 0 H GLU A 87 14.083 -11.878 -5.710 1.00 0.51 H new ATOM 0 HA GLU A 87 14.134 -14.482 -7.171 1.00 0.57 H new ATOM 0 HB2 GLU A 87 16.055 -12.104 -7.027 1.00 0.59 H new ATOM 0 HB3 GLU A 87 16.413 -13.582 -7.899 1.00 0.59 H new ATOM 0 HG2 GLU A 87 13.754 -12.751 -8.664 1.00 1.04 H new ATOM 0 HG3 GLU A 87 14.792 -11.343 -8.765 1.00 1.04 H new ATOM 1165 N ALA A 88 16.365 -13.665 -4.862 1.00 0.57 N ATOM 1166 CA ALA A 88 17.226 -14.268 -3.798 1.00 0.61 C ATOM 1167 C ALA A 88 16.372 -15.084 -2.826 1.00 0.60 C ATOM 1168 O ALA A 88 16.712 -16.195 -2.471 1.00 0.70 O ATOM 1169 CB ALA A 88 17.940 -13.154 -3.030 1.00 0.60 C ATOM 0 H ALA A 88 16.494 -12.663 -5.004 1.00 0.57 H new ATOM 0 HA ALA A 88 17.959 -14.925 -4.266 1.00 0.61 H new ATOM 0 HB1 ALA A 88 18.568 -13.592 -2.254 1.00 0.60 H new ATOM 0 HB2 ALA A 88 18.560 -12.578 -3.717 1.00 0.60 H new ATOM 0 HB3 ALA A 88 17.201 -12.497 -2.571 1.00 0.60 H new ATOM 1175 N VAL A 89 15.266 -14.545 -2.394 1.00 0.52 N ATOM 1176 CA VAL A 89 14.395 -15.302 -1.444 1.00 0.53 C ATOM 1177 C VAL A 89 13.046 -15.615 -2.117 1.00 0.51 C ATOM 1178 O VAL A 89 12.143 -14.804 -2.088 1.00 0.84 O ATOM 1179 CB VAL A 89 14.163 -14.481 -0.162 1.00 0.65 C ATOM 1180 CG1 VAL A 89 13.760 -13.041 -0.494 1.00 0.52 C ATOM 1181 CG2 VAL A 89 13.051 -15.137 0.659 1.00 1.08 C ATOM 0 H VAL A 89 14.927 -13.619 -2.654 1.00 0.52 H new ATOM 0 HA VAL A 89 14.891 -16.235 -1.176 1.00 0.53 H new ATOM 0 HB VAL A 89 15.093 -14.457 0.406 1.00 0.65 H new ATOM 0 HG11 VAL A 89 13.603 -12.485 0.430 1.00 0.52 H new ATOM 0 HG12 VAL A 89 14.552 -12.566 -1.073 1.00 0.52 H new ATOM 0 HG13 VAL A 89 12.838 -13.046 -1.076 1.00 0.52 H new ATOM 0 HG21 VAL A 89 12.882 -14.560 1.568 1.00 1.08 H new ATOM 0 HG22 VAL A 89 12.133 -15.166 0.071 1.00 1.08 H new ATOM 0 HG23 VAL A 89 13.345 -16.153 0.923 1.00 1.08 H new ATOM 1191 N PRO A 90 12.945 -16.788 -2.708 1.00 0.61 N ATOM 1192 CA PRO A 90 11.725 -17.233 -3.394 1.00 0.75 C ATOM 1193 C PRO A 90 10.489 -16.925 -2.544 1.00 0.74 C ATOM 1194 O PRO A 90 10.565 -16.806 -1.338 1.00 1.02 O ATOM 1195 CB PRO A 90 11.881 -18.737 -3.580 1.00 1.18 C ATOM 1196 CG PRO A 90 13.418 -18.920 -3.617 1.00 1.52 C ATOM 1197 CD PRO A 90 14.036 -17.791 -2.755 1.00 1.06 C ATOM 0 HA PRO A 90 11.592 -16.721 -4.347 1.00 0.75 H new ATOM 0 HB2 PRO A 90 11.427 -19.295 -2.761 1.00 1.18 H new ATOM 0 HB3 PRO A 90 11.410 -19.082 -4.501 1.00 1.18 H new ATOM 0 HG2 PRO A 90 13.698 -19.899 -3.227 1.00 1.52 H new ATOM 0 HG3 PRO A 90 13.787 -18.867 -4.641 1.00 1.52 H new ATOM 0 HD2 PRO A 90 14.307 -18.143 -1.759 1.00 1.06 H new ATOM 0 HD3 PRO A 90 14.941 -17.385 -3.207 1.00 1.06 H new ATOM 1205 N GLY A 91 9.351 -16.795 -3.169 1.00 0.90 N ATOM 1206 CA GLY A 91 8.108 -16.492 -2.405 1.00 1.13 C ATOM 1207 C GLY A 91 7.128 -15.730 -3.301 1.00 1.18 C ATOM 1208 O GLY A 91 5.928 -15.807 -3.130 1.00 1.79 O ATOM 0 H GLY A 91 9.228 -16.886 -4.178 1.00 0.90 H new ATOM 0 HA2 GLY A 91 7.651 -17.417 -2.053 1.00 1.13 H new ATOM 0 HA3 GLY A 91 8.347 -15.898 -1.523 1.00 1.13 H new ATOM 1212 N ALA A 92 7.630 -14.993 -4.255 1.00 1.18 N ATOM 1213 CA ALA A 92 6.728 -14.227 -5.160 1.00 1.27 C ATOM 1214 C ALA A 92 6.027 -15.188 -6.121 1.00 1.08 C ATOM 1215 O ALA A 92 6.008 -16.385 -5.914 1.00 1.44 O ATOM 1216 CB ALA A 92 7.550 -13.215 -5.961 1.00 1.78 C ATOM 0 H ALA A 92 8.626 -14.889 -4.446 1.00 1.18 H new ATOM 0 HA ALA A 92 5.981 -13.701 -4.565 1.00 1.27 H new ATOM 0 HB1 ALA A 92 6.891 -12.654 -6.624 1.00 1.78 H new ATOM 0 HB2 ALA A 92 8.048 -12.528 -5.277 1.00 1.78 H new ATOM 0 HB3 ALA A 92 8.298 -13.742 -6.554 1.00 1.78 H new ATOM 1222 N LYS A 93 5.450 -14.672 -7.172 1.00 1.09 N ATOM 1223 CA LYS A 93 4.750 -15.554 -8.147 1.00 1.26 C ATOM 1224 C LYS A 93 5.074 -15.096 -9.571 1.00 1.67 C ATOM 1225 O LYS A 93 4.332 -14.349 -10.177 1.00 2.57 O ATOM 1226 CB LYS A 93 3.239 -15.470 -7.916 1.00 1.54 C ATOM 1227 CG LYS A 93 2.768 -16.714 -7.161 1.00 2.05 C ATOM 1228 CD LYS A 93 1.892 -17.568 -8.080 1.00 2.46 C ATOM 1229 CE LYS A 93 2.217 -19.048 -7.866 1.00 2.95 C ATOM 1230 NZ LYS A 93 1.364 -19.590 -6.771 1.00 3.68 N ATOM 0 H LYS A 93 5.433 -13.677 -7.397 1.00 1.09 H new ATOM 0 HA LYS A 93 5.082 -16.583 -8.011 1.00 1.26 H new ATOM 0 HB2 LYS A 93 2.997 -14.573 -7.347 1.00 1.54 H new ATOM 0 HB3 LYS A 93 2.718 -15.392 -8.870 1.00 1.54 H new ATOM 0 HG2 LYS A 93 3.627 -17.292 -6.820 1.00 2.05 H new ATOM 0 HG3 LYS A 93 2.206 -16.423 -6.273 1.00 2.05 H new ATOM 0 HD2 LYS A 93 0.838 -17.382 -7.871 1.00 2.46 H new ATOM 0 HD3 LYS A 93 2.064 -17.294 -9.121 1.00 2.46 H new ATOM 0 HE2 LYS A 93 2.044 -19.606 -8.786 1.00 2.95 H new ATOM 0 HE3 LYS A 93 3.271 -19.167 -7.614 1.00 2.95 H new ATOM 0 HZ1 LYS A 93 1.584 -20.596 -6.625 1.00 3.68 H new ATOM 0 HZ2 LYS A 93 1.550 -19.064 -5.893 1.00 3.68 H new ATOM 0 HZ3 LYS A 93 0.362 -19.489 -7.029 1.00 3.68 H new ATOM 1244 N GLY A 94 6.178 -15.538 -10.109 1.00 1.43 N ATOM 1245 CA GLY A 94 6.548 -15.127 -11.493 1.00 2.00 C ATOM 1246 C GLY A 94 7.834 -14.299 -11.454 1.00 1.57 C ATOM 1247 O GLY A 94 7.947 -13.280 -12.106 1.00 1.54 O ATOM 0 H GLY A 94 6.839 -16.165 -9.651 1.00 1.43 H new ATOM 0 HA2 GLY A 94 6.689 -16.008 -12.120 1.00 2.00 H new ATOM 0 HA3 GLY A 94 5.741 -14.545 -11.938 1.00 2.00 H new ATOM 1251 N ALA A 95 8.804 -14.728 -10.694 1.00 1.56 N ATOM 1252 CA ALA A 95 10.081 -13.965 -10.612 1.00 1.40 C ATOM 1253 C ALA A 95 11.016 -14.645 -9.611 1.00 1.25 C ATOM 1254 O ALA A 95 11.703 -13.996 -8.848 1.00 1.67 O ATOM 1255 CB ALA A 95 9.793 -12.535 -10.151 1.00 1.82 C ATOM 0 H ALA A 95 8.767 -15.574 -10.126 1.00 1.56 H new ATOM 0 HA ALA A 95 10.554 -13.941 -11.594 1.00 1.40 H new ATOM 0 HB1 ALA A 95 10.727 -11.977 -10.091 1.00 1.82 H new ATOM 0 HB2 ALA A 95 9.126 -12.050 -10.864 1.00 1.82 H new ATOM 0 HB3 ALA A 95 9.320 -12.558 -9.169 1.00 1.82 H new ATOM 1261 N THR A 96 11.047 -15.950 -9.607 1.00 1.24 N ATOM 1262 CA THR A 96 11.936 -16.672 -8.654 1.00 1.32 C ATOM 1263 C THR A 96 13.340 -16.785 -9.251 1.00 1.75 C ATOM 1264 O THR A 96 14.329 -16.541 -8.587 1.00 2.42 O ATOM 1265 CB THR A 96 11.376 -18.073 -8.398 1.00 1.42 C ATOM 1266 OG1 THR A 96 10.002 -18.104 -8.757 1.00 1.84 O ATOM 1267 CG2 THR A 96 11.527 -18.421 -6.917 1.00 1.37 C ATOM 0 H THR A 96 10.495 -16.547 -10.223 1.00 1.24 H new ATOM 0 HA THR A 96 11.985 -16.122 -7.714 1.00 1.32 H new ATOM 0 HB THR A 96 11.925 -18.800 -8.997 1.00 1.42 H new ATOM 0 HG1 THR A 96 9.642 -19.001 -8.595 1.00 1.84 H new ATOM 0 HG21 THR A 96 11.128 -19.419 -6.735 1.00 1.37 H new ATOM 0 HG22 THR A 96 12.582 -18.397 -6.643 1.00 1.37 H new ATOM 0 HG23 THR A 96 10.979 -17.696 -6.315 1.00 1.37 H new ATOM 1275 N ARG A 97 13.436 -17.154 -10.498 1.00 1.86 N ATOM 1276 CA ARG A 97 14.776 -17.284 -11.136 1.00 2.36 C ATOM 1277 C ARG A 97 14.604 -17.461 -12.646 1.00 2.11 C ATOM 1278 O ARG A 97 13.918 -18.355 -13.101 1.00 2.29 O ATOM 1279 CB ARG A 97 15.500 -18.501 -10.558 1.00 2.91 C ATOM 1280 CG ARG A 97 16.850 -18.673 -11.258 1.00 3.97 C ATOM 1281 CD ARG A 97 16.688 -19.610 -12.457 1.00 4.75 C ATOM 1282 NE ARG A 97 17.372 -19.021 -13.643 1.00 5.73 N ATOM 1283 CZ ARG A 97 18.675 -18.949 -13.675 1.00 6.46 C ATOM 1284 NH1 ARG A 97 19.284 -17.916 -13.162 1.00 7.12 N ATOM 1285 NH2 ARG A 97 19.368 -19.910 -14.221 1.00 6.80 N ATOM 0 H ARG A 97 12.644 -17.371 -11.103 1.00 1.86 H new ATOM 0 HA ARG A 97 15.362 -16.387 -10.939 1.00 2.36 H new ATOM 0 HB2 ARG A 97 15.648 -18.374 -9.486 1.00 2.91 H new ATOM 0 HB3 ARG A 97 14.893 -19.396 -10.692 1.00 2.91 H new ATOM 0 HG2 ARG A 97 17.226 -17.705 -11.588 1.00 3.97 H new ATOM 0 HG3 ARG A 97 17.583 -19.080 -10.562 1.00 3.97 H new ATOM 0 HD2 ARG A 97 17.111 -20.588 -12.228 1.00 4.75 H new ATOM 0 HD3 ARG A 97 15.631 -19.763 -12.672 1.00 4.75 H new ATOM 0 HE ARG A 97 16.822 -18.674 -14.429 1.00 5.73 H new ATOM 0 HH11 ARG A 97 18.742 -17.164 -12.736 1.00 7.12 H new ATOM 0 HH12 ARG A 97 20.302 -17.860 -13.187 1.00 7.12 H new ATOM 0 HH21 ARG A 97 18.892 -20.717 -14.623 1.00 6.80 H new ATOM 0 HH22 ARG A 97 20.386 -19.854 -14.246 1.00 6.80 H new ATOM 1299 N ARG A 98 15.220 -16.617 -13.426 1.00 2.20 N ATOM 1300 CA ARG A 98 15.090 -16.738 -14.905 1.00 2.90 C ATOM 1301 C ARG A 98 16.137 -15.852 -15.582 1.00 3.22 C ATOM 1302 O ARG A 98 15.886 -15.253 -16.609 1.00 3.89 O ATOM 1303 CB ARG A 98 13.690 -16.291 -15.332 1.00 3.44 C ATOM 1304 CG ARG A 98 13.050 -17.371 -16.207 1.00 4.36 C ATOM 1305 CD ARG A 98 13.267 -17.027 -17.682 1.00 5.06 C ATOM 1306 NE ARG A 98 13.729 -18.241 -18.412 1.00 5.88 N ATOM 1307 CZ ARG A 98 14.906 -18.255 -18.976 1.00 6.35 C ATOM 1308 NH1 ARG A 98 15.235 -17.318 -19.823 1.00 6.71 N ATOM 1309 NH2 ARG A 98 15.754 -19.206 -18.693 1.00 6.71 N ATOM 0 H ARG A 98 15.808 -15.849 -13.103 1.00 2.20 H new ATOM 0 HA ARG A 98 15.246 -17.776 -15.200 1.00 2.90 H new ATOM 0 HB2 ARG A 98 13.072 -16.108 -14.453 1.00 3.44 H new ATOM 0 HB3 ARG A 98 13.749 -15.352 -15.882 1.00 3.44 H new ATOM 0 HG2 ARG A 98 13.487 -18.344 -15.981 1.00 4.36 H new ATOM 0 HG3 ARG A 98 11.984 -17.443 -15.992 1.00 4.36 H new ATOM 0 HD2 ARG A 98 12.340 -16.657 -18.120 1.00 5.06 H new ATOM 0 HD3 ARG A 98 14.005 -16.230 -17.776 1.00 5.06 H new ATOM 0 HE ARG A 98 13.125 -19.061 -18.471 1.00 5.88 H new ATOM 0 HH11 ARG A 98 14.572 -16.575 -20.044 1.00 6.71 H new ATOM 0 HH12 ARG A 98 16.155 -17.329 -20.264 1.00 6.71 H new ATOM 0 HH21 ARG A 98 15.497 -19.938 -18.031 1.00 6.71 H new ATOM 0 HH22 ARG A 98 16.674 -19.217 -19.134 1.00 6.71 H new ATOM 1323 N ARG A 99 17.309 -15.764 -15.016 1.00 3.12 N ATOM 1324 CA ARG A 99 18.368 -14.916 -15.629 1.00 3.55 C ATOM 1325 C ARG A 99 17.843 -13.488 -15.793 1.00 3.04 C ATOM 1326 O ARG A 99 17.328 -13.123 -16.831 1.00 3.56 O ATOM 1327 CB ARG A 99 18.745 -15.481 -17.000 1.00 4.65 C ATOM 1328 CG ARG A 99 19.792 -16.583 -16.828 1.00 5.53 C ATOM 1329 CD ARG A 99 21.110 -16.141 -17.468 1.00 6.48 C ATOM 1330 NE ARG A 99 21.979 -15.514 -16.433 1.00 7.29 N ATOM 1331 CZ ARG A 99 22.895 -14.654 -16.785 1.00 8.15 C ATOM 1332 NH1 ARG A 99 23.709 -14.933 -17.766 1.00 8.94 N ATOM 1333 NH2 ARG A 99 22.998 -13.516 -16.155 1.00 8.37 N ATOM 0 H ARG A 99 17.578 -16.242 -14.156 1.00 3.12 H new ATOM 0 HA ARG A 99 19.248 -14.910 -14.985 1.00 3.55 H new ATOM 0 HB2 ARG A 99 17.860 -15.880 -17.497 1.00 4.65 H new ATOM 0 HB3 ARG A 99 19.138 -14.688 -17.636 1.00 4.65 H new ATOM 0 HG2 ARG A 99 19.943 -16.794 -15.769 1.00 5.53 H new ATOM 0 HG3 ARG A 99 19.443 -17.506 -17.290 1.00 5.53 H new ATOM 0 HD2 ARG A 99 21.616 -16.998 -17.913 1.00 6.48 H new ATOM 0 HD3 ARG A 99 20.916 -15.432 -18.273 1.00 6.48 H new ATOM 0 HE ARG A 99 21.858 -15.757 -15.450 1.00 7.29 H new ATOM 0 HH11 ARG A 99 23.629 -15.823 -18.257 1.00 8.94 H new ATOM 0 HH12 ARG A 99 24.425 -14.261 -18.041 1.00 8.94 H new ATOM 0 HH21 ARG A 99 22.362 -13.299 -15.387 1.00 8.37 H new ATOM 0 HH22 ARG A 99 23.714 -12.844 -16.430 1.00 8.37 H new ATOM 1347 N LYS A 100 17.967 -12.679 -14.777 1.00 2.46 N ATOM 1348 CA LYS A 100 17.472 -11.277 -14.879 1.00 2.53 C ATOM 1349 C LYS A 100 18.541 -10.310 -14.362 1.00 2.52 C ATOM 1350 O LYS A 100 18.324 -9.606 -13.395 1.00 2.62 O ATOM 1351 CB LYS A 100 16.202 -11.125 -14.039 1.00 2.89 C ATOM 1352 CG LYS A 100 15.434 -9.883 -14.495 1.00 3.82 C ATOM 1353 CD LYS A 100 14.504 -10.255 -15.651 1.00 4.50 C ATOM 1354 CE LYS A 100 14.312 -9.042 -16.562 1.00 5.19 C ATOM 1355 NZ LYS A 100 14.136 -9.501 -17.969 1.00 6.18 N ATOM 0 H LYS A 100 18.389 -12.927 -13.882 1.00 2.46 H new ATOM 0 HA LYS A 100 17.253 -11.048 -15.922 1.00 2.53 H new ATOM 0 HB2 LYS A 100 15.576 -12.011 -14.143 1.00 2.89 H new ATOM 0 HB3 LYS A 100 16.460 -11.039 -12.983 1.00 2.89 H new ATOM 0 HG2 LYS A 100 14.856 -9.475 -13.666 1.00 3.82 H new ATOM 0 HG3 LYS A 100 16.131 -9.107 -14.810 1.00 3.82 H new ATOM 0 HD2 LYS A 100 14.925 -11.086 -16.218 1.00 4.50 H new ATOM 0 HD3 LYS A 100 13.541 -10.589 -15.264 1.00 4.50 H new ATOM 0 HE2 LYS A 100 13.441 -8.469 -16.244 1.00 5.19 H new ATOM 0 HE3 LYS A 100 15.174 -8.379 -16.489 1.00 5.19 H new ATOM 0 HZ1 LYS A 100 14.005 -8.677 -18.589 1.00 6.18 H new ATOM 0 HZ2 LYS A 100 14.979 -10.030 -18.270 1.00 6.18 H new ATOM 0 HZ3 LYS A 100 13.300 -10.117 -18.031 1.00 6.18 H new ATOM 1369 N PRO A 101 19.665 -10.304 -15.029 1.00 3.03 N ATOM 1370 CA PRO A 101 20.796 -9.440 -14.677 1.00 3.47 C ATOM 1371 C PRO A 101 20.464 -7.974 -14.992 1.00 3.05 C ATOM 1372 O PRO A 101 20.043 -7.231 -14.127 1.00 3.17 O ATOM 1373 CB PRO A 101 21.975 -9.932 -15.514 1.00 4.26 C ATOM 1374 CG PRO A 101 21.294 -10.665 -16.700 1.00 4.60 C ATOM 1375 CD PRO A 101 19.915 -11.166 -16.203 1.00 3.76 C ATOM 0 HA PRO A 101 21.027 -9.486 -13.613 1.00 3.47 H new ATOM 0 HB2 PRO A 101 22.597 -9.105 -15.857 1.00 4.26 H new ATOM 0 HB3 PRO A 101 22.620 -10.602 -14.945 1.00 4.26 H new ATOM 0 HG2 PRO A 101 21.175 -9.993 -17.550 1.00 4.60 H new ATOM 0 HG3 PRO A 101 21.907 -11.500 -17.038 1.00 4.60 H new ATOM 0 HD2 PRO A 101 19.143 -11.050 -16.964 1.00 3.76 H new ATOM 0 HD3 PRO A 101 19.940 -12.222 -15.933 1.00 3.76 H new ATOM 1383 N CYS A 102 20.644 -7.547 -16.215 1.00 3.12 N ATOM 1384 CA CYS A 102 20.333 -6.132 -16.564 1.00 3.12 C ATOM 1385 C CYS A 102 21.245 -5.192 -15.772 1.00 2.92 C ATOM 1386 O CYS A 102 21.771 -5.547 -14.735 1.00 3.36 O ATOM 1387 CB CYS A 102 18.873 -5.832 -16.220 1.00 4.07 C ATOM 1388 SG CYS A 102 17.935 -7.379 -16.169 1.00 4.82 S ATOM 0 H CYS A 102 20.993 -8.118 -16.985 1.00 3.12 H new ATOM 0 HA CYS A 102 20.497 -5.980 -17.631 1.00 3.12 H new ATOM 0 HB2 CYS A 102 18.812 -5.325 -15.257 1.00 4.07 H new ATOM 0 HB3 CYS A 102 18.444 -5.159 -16.962 1.00 4.07 H new ATOM 0 HG CYS A 102 16.755 -7.155 -15.672 1.00 4.82 H new ATOM 1394 N SER A 103 21.436 -3.994 -16.253 1.00 2.77 N ATOM 1395 CA SER A 103 22.311 -3.028 -15.531 1.00 2.80 C ATOM 1396 C SER A 103 21.672 -2.678 -14.183 1.00 2.65 C ATOM 1397 O SER A 103 20.862 -3.419 -13.663 1.00 3.04 O ATOM 1398 CB SER A 103 22.467 -1.761 -16.374 1.00 3.32 C ATOM 1399 OG SER A 103 23.753 -1.201 -16.146 1.00 3.97 O ATOM 0 H SER A 103 21.023 -3.642 -17.117 1.00 2.77 H new ATOM 0 HA SER A 103 23.292 -3.472 -15.362 1.00 2.80 H new ATOM 0 HB2 SER A 103 22.342 -1.996 -17.431 1.00 3.32 H new ATOM 0 HB3 SER A 103 21.692 -1.040 -16.114 1.00 3.32 H new ATOM 0 HG SER A 103 23.857 -0.390 -16.686 1.00 3.97 H new ATOM 1405 N ARG A 104 22.024 -1.555 -13.611 1.00 2.76 N ATOM 1406 CA ARG A 104 21.423 -1.175 -12.300 1.00 3.12 C ATOM 1407 C ARG A 104 21.611 0.332 -12.040 1.00 2.45 C ATOM 1408 O ARG A 104 22.321 0.742 -11.148 1.00 2.54 O ATOM 1409 CB ARG A 104 22.027 -2.045 -11.166 1.00 4.22 C ATOM 1410 CG ARG A 104 23.474 -1.653 -10.784 1.00 5.09 C ATOM 1411 CD ARG A 104 24.320 -1.339 -12.022 1.00 6.12 C ATOM 1412 NE ARG A 104 24.413 -2.551 -12.884 1.00 6.95 N ATOM 1413 CZ ARG A 104 24.841 -3.678 -12.383 1.00 7.80 C ATOM 1414 NH1 ARG A 104 26.099 -3.812 -12.057 1.00 8.50 N ATOM 1415 NH2 ARG A 104 24.013 -4.671 -12.206 1.00 8.19 N ATOM 0 H ARG A 104 22.697 -0.890 -13.993 1.00 2.76 H new ATOM 0 HA ARG A 104 20.350 -1.366 -12.324 1.00 3.12 H new ATOM 0 HB2 ARG A 104 21.393 -1.965 -10.283 1.00 4.22 H new ATOM 0 HB3 ARG A 104 22.013 -3.090 -11.475 1.00 4.22 H new ATOM 0 HG2 ARG A 104 23.454 -0.784 -10.126 1.00 5.09 H new ATOM 0 HG3 ARG A 104 23.936 -2.466 -10.224 1.00 5.09 H new ATOM 0 HD2 ARG A 104 23.874 -0.516 -12.581 1.00 6.12 H new ATOM 0 HD3 ARG A 104 25.317 -1.017 -11.722 1.00 6.12 H new ATOM 0 HE ARG A 104 24.142 -2.500 -13.866 1.00 6.95 H new ATOM 0 HH11 ARG A 104 26.747 -3.036 -12.194 1.00 8.50 H new ATOM 0 HH12 ARG A 104 26.433 -4.693 -11.666 1.00 8.50 H new ATOM 0 HH21 ARG A 104 23.030 -4.567 -12.459 1.00 8.19 H new ATOM 0 HH22 ARG A 104 24.348 -5.551 -11.815 1.00 8.19 H new ATOM 1429 N PRO A 105 20.946 1.121 -12.845 1.00 2.26 N ATOM 1430 CA PRO A 105 20.995 2.585 -12.750 1.00 2.06 C ATOM 1431 C PRO A 105 20.781 3.024 -11.298 1.00 1.69 C ATOM 1432 O PRO A 105 19.663 3.184 -10.849 1.00 2.12 O ATOM 1433 CB PRO A 105 19.859 3.097 -13.627 1.00 2.68 C ATOM 1434 CG PRO A 105 19.653 1.944 -14.640 1.00 3.17 C ATOM 1435 CD PRO A 105 20.073 0.630 -13.935 1.00 2.87 C ATOM 0 HA PRO A 105 21.959 2.978 -13.073 1.00 2.06 H new ATOM 0 HB2 PRO A 105 18.957 3.290 -13.047 1.00 2.68 H new ATOM 0 HB3 PRO A 105 20.123 4.030 -14.126 1.00 2.68 H new ATOM 0 HG2 PRO A 105 18.612 1.893 -14.958 1.00 3.17 H new ATOM 0 HG3 PRO A 105 20.252 2.108 -15.536 1.00 3.17 H new ATOM 0 HD2 PRO A 105 19.213 0.082 -13.551 1.00 2.87 H new ATOM 0 HD3 PRO A 105 20.604 -0.042 -14.610 1.00 2.87 H new ATOM 1443 N LEU A 106 21.841 3.221 -10.563 1.00 1.60 N ATOM 1444 CA LEU A 106 21.694 3.649 -9.142 1.00 1.40 C ATOM 1445 C LEU A 106 23.072 3.979 -8.566 1.00 1.72 C ATOM 1446 O LEU A 106 23.981 3.174 -8.607 1.00 2.40 O ATOM 1447 CB LEU A 106 21.059 2.517 -8.330 1.00 1.59 C ATOM 1448 CG LEU A 106 19.566 2.798 -8.139 1.00 1.64 C ATOM 1449 CD1 LEU A 106 18.751 1.623 -8.681 1.00 2.17 C ATOM 1450 CD2 LEU A 106 19.267 2.979 -6.648 1.00 1.93 C ATOM 0 H LEU A 106 22.802 3.104 -10.884 1.00 1.60 H new ATOM 0 HA LEU A 106 21.057 4.532 -9.092 1.00 1.40 H new ATOM 0 HB2 LEU A 106 21.198 1.565 -8.843 1.00 1.59 H new ATOM 0 HB3 LEU A 106 21.550 2.431 -7.361 1.00 1.59 H new ATOM 0 HG LEU A 106 19.297 3.707 -8.678 1.00 1.64 H new ATOM 0 HD11 LEU A 106 17.688 1.824 -8.545 1.00 2.17 H new ATOM 0 HD12 LEU A 106 18.962 1.492 -9.742 1.00 2.17 H new ATOM 0 HD13 LEU A 106 19.021 0.714 -8.143 1.00 2.17 H new ATOM 0 HD21 LEU A 106 18.204 3.179 -6.512 1.00 1.93 H new ATOM 0 HD22 LEU A 106 19.537 2.070 -6.110 1.00 1.93 H new ATOM 0 HD23 LEU A 106 19.847 3.817 -6.260 1.00 1.93 H new ATOM 1462 N SER A 107 23.235 5.157 -8.028 1.00 1.69 N ATOM 1463 CA SER A 107 24.556 5.536 -7.450 1.00 2.19 C ATOM 1464 C SER A 107 24.478 5.493 -5.922 1.00 1.65 C ATOM 1465 O SER A 107 25.161 4.722 -5.278 1.00 2.06 O ATOM 1466 CB SER A 107 24.925 6.949 -7.902 1.00 2.92 C ATOM 1467 OG SER A 107 25.839 6.871 -8.988 1.00 3.30 O ATOM 0 H SER A 107 22.511 5.873 -7.964 1.00 1.69 H new ATOM 0 HA SER A 107 25.316 4.835 -7.794 1.00 2.19 H new ATOM 0 HB2 SER A 107 24.029 7.492 -8.204 1.00 2.92 H new ATOM 0 HB3 SER A 107 25.371 7.503 -7.076 1.00 2.92 H new ATOM 0 HG SER A 107 26.076 7.775 -9.281 1.00 3.30 H new ATOM 1473 N SER A 108 23.652 6.316 -5.336 1.00 1.22 N ATOM 1474 CA SER A 108 23.535 6.320 -3.850 1.00 1.10 C ATOM 1475 C SER A 108 22.057 6.349 -3.454 1.00 1.10 C ATOM 1476 O SER A 108 21.559 7.336 -2.949 1.00 1.69 O ATOM 1477 CB SER A 108 24.239 7.555 -3.287 1.00 1.38 C ATOM 1478 OG SER A 108 25.638 7.309 -3.224 1.00 1.93 O ATOM 0 H SER A 108 23.054 6.985 -5.821 1.00 1.22 H new ATOM 0 HA SER A 108 24.001 5.421 -3.446 1.00 1.10 H new ATOM 0 HB2 SER A 108 24.038 8.421 -3.917 1.00 1.38 H new ATOM 0 HB3 SER A 108 23.854 7.787 -2.294 1.00 1.38 H new ATOM 0 HG SER A 108 26.093 8.099 -2.865 1.00 1.93 H new ATOM 1484 N ILE A 109 21.352 5.274 -3.677 1.00 0.81 N ATOM 1485 CA ILE A 109 19.908 5.241 -3.313 1.00 0.76 C ATOM 1486 C ILE A 109 19.478 3.794 -3.060 1.00 0.81 C ATOM 1487 O ILE A 109 18.937 3.138 -3.926 1.00 1.53 O ATOM 1488 CB ILE A 109 19.079 5.826 -4.458 1.00 0.81 C ATOM 1489 CG1 ILE A 109 19.983 6.064 -5.671 1.00 0.79 C ATOM 1490 CG2 ILE A 109 18.462 7.155 -4.017 1.00 1.00 C ATOM 1491 CD1 ILE A 109 19.123 6.418 -6.885 1.00 0.85 C ATOM 0 H ILE A 109 21.714 4.417 -4.096 1.00 0.81 H new ATOM 0 HA ILE A 109 19.748 5.831 -2.410 1.00 0.76 H new ATOM 0 HB ILE A 109 18.286 5.128 -4.724 1.00 0.81 H new ATOM 0 HG12 ILE A 109 20.686 6.871 -5.462 1.00 0.79 H new ATOM 0 HG13 ILE A 109 20.574 5.172 -5.878 1.00 0.79 H new ATOM 0 HG21 ILE A 109 17.872 7.571 -4.834 1.00 1.00 H new ATOM 0 HG22 ILE A 109 17.819 6.989 -3.153 1.00 1.00 H new ATOM 0 HG23 ILE A 109 19.255 7.854 -3.750 1.00 1.00 H new ATOM 0 HD11 ILE A 109 19.765 6.588 -7.749 1.00 0.85 H new ATOM 0 HD12 ILE A 109 18.438 5.597 -7.098 1.00 0.85 H new ATOM 0 HD13 ILE A 109 18.551 7.322 -6.675 1.00 0.85 H new ATOM 1503 N LEU A 110 19.714 3.294 -1.877 1.00 0.79 N ATOM 1504 CA LEU A 110 19.320 1.889 -1.564 1.00 0.77 C ATOM 1505 C LEU A 110 19.850 1.514 -0.177 1.00 0.58 C ATOM 1506 O LEU A 110 20.304 2.356 0.572 1.00 0.55 O ATOM 1507 CB LEU A 110 19.916 0.943 -2.610 1.00 0.96 C ATOM 1508 CG LEU A 110 18.794 0.179 -3.316 1.00 1.13 C ATOM 1509 CD1 LEU A 110 19.156 -0.009 -4.790 1.00 1.48 C ATOM 1510 CD2 LEU A 110 18.617 -1.193 -2.662 1.00 1.51 C ATOM 0 H LEU A 110 20.163 3.798 -1.112 1.00 0.79 H new ATOM 0 HA LEU A 110 18.233 1.803 -1.578 1.00 0.77 H new ATOM 0 HB2 LEU A 110 20.496 1.510 -3.338 1.00 0.96 H new ATOM 0 HB3 LEU A 110 20.601 0.242 -2.132 1.00 0.96 H new ATOM 0 HG LEU A 110 17.866 0.744 -3.235 1.00 1.13 H new ATOM 0 HD11 LEU A 110 18.357 -0.553 -5.294 1.00 1.48 H new ATOM 0 HD12 LEU A 110 19.284 0.966 -5.260 1.00 1.48 H new ATOM 0 HD13 LEU A 110 20.085 -0.574 -4.867 1.00 1.48 H new ATOM 0 HD21 LEU A 110 17.817 -1.736 -3.166 1.00 1.51 H new ATOM 0 HD22 LEU A 110 19.546 -1.757 -2.743 1.00 1.51 H new ATOM 0 HD23 LEU A 110 18.361 -1.064 -1.610 1.00 1.51 H new ATOM 1522 N GLY A 111 19.797 0.257 0.169 1.00 0.59 N ATOM 1523 CA GLY A 111 20.298 -0.172 1.505 1.00 0.57 C ATOM 1524 C GLY A 111 20.585 -1.675 1.481 1.00 0.62 C ATOM 1525 O GLY A 111 21.711 -2.099 1.313 1.00 0.72 O ATOM 0 H GLY A 111 19.428 -0.492 -0.417 1.00 0.59 H new ATOM 0 HA2 GLY A 111 21.204 0.378 1.760 1.00 0.57 H new ATOM 0 HA3 GLY A 111 19.559 0.056 2.273 1.00 0.57 H new ATOM 1529 N ARG A 112 19.573 -2.483 1.649 1.00 0.65 N ATOM 1530 CA ARG A 112 19.786 -3.958 1.636 1.00 0.74 C ATOM 1531 C ARG A 112 18.467 -4.663 1.961 1.00 0.68 C ATOM 1532 O ARG A 112 17.709 -4.222 2.802 1.00 0.74 O ATOM 1533 CB ARG A 112 20.835 -4.331 2.686 1.00 0.84 C ATOM 1534 CG ARG A 112 20.590 -3.524 3.962 1.00 1.19 C ATOM 1535 CD ARG A 112 21.350 -4.165 5.124 1.00 1.57 C ATOM 1536 NE ARG A 112 22.703 -3.551 5.231 1.00 2.15 N ATOM 1537 CZ ARG A 112 23.766 -4.308 5.206 1.00 2.81 C ATOM 1538 NH1 ARG A 112 24.208 -4.847 6.309 1.00 3.29 N ATOM 1539 NH2 ARG A 112 24.387 -4.525 4.079 1.00 3.55 N ATOM 0 H ARG A 112 18.608 -2.185 1.795 1.00 0.65 H new ATOM 0 HA ARG A 112 20.133 -4.268 0.650 1.00 0.74 H new ATOM 0 HB2 ARG A 112 20.784 -5.398 2.903 1.00 0.84 H new ATOM 0 HB3 ARG A 112 21.836 -4.131 2.303 1.00 0.84 H new ATOM 0 HG2 ARG A 112 20.919 -2.494 3.822 1.00 1.19 H new ATOM 0 HG3 ARG A 112 19.524 -3.491 4.185 1.00 1.19 H new ATOM 0 HD2 ARG A 112 20.800 -4.023 6.054 1.00 1.57 H new ATOM 0 HD3 ARG A 112 21.438 -5.240 4.966 1.00 1.57 H new ATOM 0 HE ARG A 112 22.799 -2.540 5.324 1.00 2.15 H new ATOM 0 HH11 ARG A 112 23.723 -4.677 7.190 1.00 3.29 H new ATOM 0 HH12 ARG A 112 25.039 -5.439 6.290 1.00 3.29 H new ATOM 0 HH21 ARG A 112 24.042 -4.103 3.217 1.00 3.55 H new ATOM 0 HH22 ARG A 112 25.218 -5.117 4.060 1.00 3.55 H new ATOM 1553 N SER A 113 18.186 -5.755 1.303 1.00 0.60 N ATOM 1554 CA SER A 113 16.915 -6.481 1.580 1.00 0.55 C ATOM 1555 C SER A 113 17.095 -7.383 2.802 1.00 0.53 C ATOM 1556 O SER A 113 18.006 -8.184 2.869 1.00 0.58 O ATOM 1557 CB SER A 113 16.529 -7.333 0.369 1.00 0.57 C ATOM 1558 OG SER A 113 17.260 -6.896 -0.769 1.00 0.60 O ATOM 0 H SER A 113 18.780 -6.174 0.588 1.00 0.60 H new ATOM 0 HA SER A 113 16.125 -5.756 1.776 1.00 0.55 H new ATOM 0 HB2 SER A 113 16.739 -8.384 0.568 1.00 0.57 H new ATOM 0 HB3 SER A 113 15.459 -7.252 0.180 1.00 0.57 H new ATOM 0 HG SER A 113 16.732 -7.058 -1.579 1.00 0.60 H new ATOM 1564 N ASN A 114 16.230 -7.256 3.769 1.00 0.49 N ATOM 1565 CA ASN A 114 16.338 -8.101 4.992 1.00 0.50 C ATOM 1566 C ASN A 114 15.356 -9.266 4.889 1.00 0.48 C ATOM 1567 O ASN A 114 14.165 -9.107 5.076 1.00 0.47 O ATOM 1568 CB ASN A 114 16.005 -7.260 6.227 1.00 0.52 C ATOM 1569 CG ASN A 114 16.782 -7.793 7.432 1.00 0.69 C ATOM 1570 OD1 ASN A 114 16.947 -8.987 7.584 1.00 1.28 O ATOM 1571 ND2 ASN A 114 17.269 -6.952 8.303 1.00 1.24 N ATOM 0 H ASN A 114 15.449 -6.600 3.765 1.00 0.49 H new ATOM 0 HA ASN A 114 17.354 -8.486 5.080 1.00 0.50 H new ATOM 0 HB2 ASN A 114 16.261 -6.216 6.049 1.00 0.52 H new ATOM 0 HB3 ASN A 114 14.934 -7.296 6.427 1.00 0.52 H new ATOM 0 HD21 ASN A 114 17.788 -7.297 9.111 1.00 1.24 H new ATOM 0 HD22 ASN A 114 17.131 -5.949 8.176 1.00 1.24 H new ATOM 1578 N LEU A 115 15.846 -10.438 4.592 1.00 0.50 N ATOM 1579 CA LEU A 115 14.943 -11.616 4.476 1.00 0.51 C ATOM 1580 C LEU A 115 14.942 -12.383 5.799 1.00 0.55 C ATOM 1581 O LEU A 115 15.178 -13.574 5.836 1.00 0.62 O ATOM 1582 CB LEU A 115 15.436 -12.542 3.358 1.00 0.57 C ATOM 1583 CG LEU A 115 15.623 -11.757 2.054 1.00 0.59 C ATOM 1584 CD1 LEU A 115 14.551 -10.672 1.936 1.00 0.54 C ATOM 1585 CD2 LEU A 115 17.009 -11.108 2.041 1.00 0.63 C ATOM 0 H LEU A 115 16.834 -10.630 4.425 1.00 0.50 H new ATOM 0 HA LEU A 115 13.934 -11.274 4.243 1.00 0.51 H new ATOM 0 HB2 LEU A 115 16.379 -13.004 3.650 1.00 0.57 H new ATOM 0 HB3 LEU A 115 14.720 -13.349 3.204 1.00 0.57 H new ATOM 0 HG LEU A 115 15.532 -12.442 1.211 1.00 0.59 H new ATOM 0 HD11 LEU A 115 14.693 -10.120 1.007 1.00 0.54 H new ATOM 0 HD12 LEU A 115 13.564 -11.134 1.937 1.00 0.54 H new ATOM 0 HD13 LEU A 115 14.632 -9.987 2.780 1.00 0.54 H new ATOM 0 HD21 LEU A 115 17.141 -10.550 1.114 1.00 0.63 H new ATOM 0 HD22 LEU A 115 17.101 -10.429 2.889 1.00 0.63 H new ATOM 0 HD23 LEU A 115 17.774 -11.882 2.111 1.00 0.63 H new ATOM 1597 N LYS A 116 14.677 -11.712 6.886 1.00 0.56 N ATOM 1598 CA LYS A 116 14.662 -12.409 8.203 1.00 0.64 C ATOM 1599 C LYS A 116 13.339 -13.161 8.369 1.00 0.71 C ATOM 1600 O LYS A 116 13.265 -14.157 9.060 1.00 1.19 O ATOM 1601 CB LYS A 116 14.809 -11.381 9.328 1.00 0.71 C ATOM 1602 CG LYS A 116 15.681 -11.966 10.441 1.00 0.80 C ATOM 1603 CD LYS A 116 16.443 -10.837 11.139 1.00 1.43 C ATOM 1604 CE LYS A 116 16.629 -11.183 12.617 1.00 1.69 C ATOM 1605 NZ LYS A 116 16.681 -9.927 13.418 1.00 2.31 N ATOM 0 H LYS A 116 14.471 -10.714 6.919 1.00 0.56 H new ATOM 0 HA LYS A 116 15.490 -13.117 8.247 1.00 0.64 H new ATOM 0 HB2 LYS A 116 15.258 -10.466 8.943 1.00 0.71 H new ATOM 0 HB3 LYS A 116 13.828 -11.114 9.722 1.00 0.71 H new ATOM 0 HG2 LYS A 116 15.061 -12.500 11.161 1.00 0.80 H new ATOM 0 HG3 LYS A 116 16.382 -12.690 10.026 1.00 0.80 H new ATOM 0 HD2 LYS A 116 17.413 -10.691 10.664 1.00 1.43 H new ATOM 0 HD3 LYS A 116 15.896 -9.900 11.040 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.808 -11.812 12.960 1.00 1.69 H new ATOM 0 HE3 LYS A 116 17.547 -11.754 12.755 1.00 1.69 H new ATOM 0 HZ1 LYS A 116 16.807 -10.161 14.423 1.00 2.31 H new ATOM 0 HZ2 LYS A 116 17.479 -9.343 13.096 1.00 2.31 H new ATOM 0 HZ3 LYS A 116 15.793 -9.400 13.295 1.00 2.31 H new ATOM 1619 N PHE A 117 12.293 -12.695 7.741 1.00 0.72 N ATOM 1620 CA PHE A 117 10.980 -13.389 7.866 1.00 0.76 C ATOM 1621 C PHE A 117 10.292 -13.426 6.499 1.00 0.68 C ATOM 1622 O PHE A 117 9.393 -12.657 6.225 1.00 1.38 O ATOM 1623 CB PHE A 117 10.097 -12.637 8.863 1.00 1.03 C ATOM 1624 CG PHE A 117 10.079 -13.379 10.178 1.00 1.41 C ATOM 1625 CD1 PHE A 117 9.599 -14.693 10.233 1.00 2.00 C ATOM 1626 CD2 PHE A 117 10.541 -12.754 11.342 1.00 2.18 C ATOM 1627 CE1 PHE A 117 9.582 -15.382 11.452 1.00 2.58 C ATOM 1628 CE2 PHE A 117 10.524 -13.442 12.561 1.00 2.77 C ATOM 1629 CZ PHE A 117 10.044 -14.756 12.616 1.00 2.76 C ATOM 0 H PHE A 117 12.291 -11.865 7.148 1.00 0.72 H new ATOM 0 HA PHE A 117 11.139 -14.407 8.221 1.00 0.76 H new ATOM 0 HB2 PHE A 117 10.475 -11.625 9.009 1.00 1.03 H new ATOM 0 HB3 PHE A 117 9.084 -12.545 8.471 1.00 1.03 H new ATOM 0 HD1 PHE A 117 9.242 -15.175 9.335 1.00 2.00 H new ATOM 0 HD2 PHE A 117 10.911 -11.740 11.300 1.00 2.18 H new ATOM 0 HE1 PHE A 117 9.213 -16.396 11.494 1.00 2.58 H new ATOM 0 HE2 PHE A 117 10.881 -12.959 13.459 1.00 2.77 H new ATOM 0 HZ PHE A 117 10.030 -15.287 13.556 1.00 2.76 H new ATOM 1639 N ALA A 118 10.708 -14.316 5.639 1.00 0.66 N ATOM 1640 CA ALA A 118 10.079 -14.403 4.291 1.00 0.46 C ATOM 1641 C ALA A 118 8.843 -15.302 4.359 1.00 0.48 C ATOM 1642 O ALA A 118 8.945 -16.505 4.500 1.00 0.73 O ATOM 1643 CB ALA A 118 11.083 -14.992 3.297 1.00 0.51 C ATOM 0 H ALA A 118 11.457 -14.987 5.812 1.00 0.66 H new ATOM 0 HA ALA A 118 9.784 -13.406 3.964 1.00 0.46 H new ATOM 0 HB1 ALA A 118 10.624 -15.056 2.311 1.00 0.51 H new ATOM 0 HB2 ALA A 118 11.963 -14.351 3.246 1.00 0.51 H new ATOM 0 HB3 ALA A 118 11.378 -15.989 3.625 1.00 0.51 H new ATOM 1649 N GLY A 119 7.675 -14.729 4.259 1.00 0.57 N ATOM 1650 CA GLY A 119 6.433 -15.552 4.317 1.00 0.62 C ATOM 1651 C GLY A 119 5.797 -15.425 5.702 1.00 0.63 C ATOM 1652 O GLY A 119 6.013 -16.245 6.572 1.00 0.73 O ATOM 0 H GLY A 119 7.527 -13.727 4.140 1.00 0.57 H new ATOM 0 HA2 GLY A 119 5.730 -15.222 3.552 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.666 -16.596 4.107 1.00 0.62 H new ATOM 1656 N MET A 120 5.014 -14.403 5.916 1.00 0.59 N ATOM 1657 CA MET A 120 4.367 -14.225 7.247 1.00 0.61 C ATOM 1658 C MET A 120 2.946 -13.681 7.062 1.00 0.58 C ATOM 1659 O MET A 120 2.720 -12.497 7.210 1.00 0.57 O ATOM 1660 CB MET A 120 5.185 -13.233 8.076 1.00 0.65 C ATOM 1661 CG MET A 120 4.435 -12.901 9.366 1.00 0.67 C ATOM 1662 SD MET A 120 5.616 -12.747 10.729 1.00 1.17 S ATOM 1663 CE MET A 120 5.223 -11.038 11.179 1.00 0.98 C ATOM 0 H MET A 120 4.794 -13.684 5.227 1.00 0.59 H new ATOM 0 HA MET A 120 4.322 -15.186 7.760 1.00 0.61 H new ATOM 0 HB2 MET A 120 6.161 -13.657 8.310 1.00 0.65 H new ATOM 0 HB3 MET A 120 5.362 -12.323 7.502 1.00 0.65 H new ATOM 0 HG2 MET A 120 3.878 -11.972 9.246 1.00 0.67 H new ATOM 0 HG3 MET A 120 3.708 -13.682 9.588 1.00 0.67 H new ATOM 0 HE1 MET A 120 5.848 -10.729 12.017 1.00 0.98 H new ATOM 0 HE2 MET A 120 5.411 -10.385 10.327 1.00 0.98 H new ATOM 0 HE3 MET A 120 4.173 -10.969 11.465 1.00 0.98 H new ATOM 1673 N PRO A 121 2.034 -14.570 6.744 1.00 0.59 N ATOM 1674 CA PRO A 121 0.620 -14.239 6.525 1.00 0.57 C ATOM 1675 C PRO A 121 0.136 -13.223 7.557 1.00 0.52 C ATOM 1676 O PRO A 121 0.212 -13.450 8.744 1.00 0.60 O ATOM 1677 CB PRO A 121 -0.131 -15.552 6.673 1.00 0.64 C ATOM 1678 CG PRO A 121 0.928 -16.599 6.251 1.00 0.69 C ATOM 1679 CD PRO A 121 2.327 -16.008 6.574 1.00 0.64 C ATOM 0 HA PRO A 121 0.459 -13.789 5.545 1.00 0.57 H new ATOM 0 HB2 PRO A 121 -0.472 -15.710 7.696 1.00 0.64 H new ATOM 0 HB3 PRO A 121 -1.013 -15.588 6.034 1.00 0.64 H new ATOM 0 HG2 PRO A 121 0.775 -17.536 6.787 1.00 0.69 H new ATOM 0 HG3 PRO A 121 0.843 -16.823 5.188 1.00 0.69 H new ATOM 0 HD2 PRO A 121 2.754 -16.445 7.477 1.00 0.64 H new ATOM 0 HD3 PRO A 121 3.039 -16.185 5.767 1.00 0.64 H new ATOM 1687 N ILE A 122 -0.359 -12.101 7.105 1.00 0.44 N ATOM 1688 CA ILE A 122 -0.850 -11.059 8.051 1.00 0.41 C ATOM 1689 C ILE A 122 -2.127 -10.431 7.487 1.00 0.40 C ATOM 1690 O ILE A 122 -2.225 -10.162 6.308 1.00 0.54 O ATOM 1691 CB ILE A 122 0.218 -9.973 8.219 1.00 0.41 C ATOM 1692 CG1 ILE A 122 0.704 -9.520 6.841 1.00 0.53 C ATOM 1693 CG2 ILE A 122 1.400 -10.528 9.017 1.00 0.51 C ATOM 1694 CD1 ILE A 122 1.578 -8.274 6.993 1.00 0.57 C ATOM 0 H ILE A 122 -0.444 -11.862 6.117 1.00 0.44 H new ATOM 0 HA ILE A 122 -1.058 -11.514 9.019 1.00 0.41 H new ATOM 0 HB ILE A 122 -0.212 -9.126 8.753 1.00 0.41 H new ATOM 0 HG12 ILE A 122 1.271 -10.319 6.363 1.00 0.53 H new ATOM 0 HG13 ILE A 122 -0.148 -9.303 6.196 1.00 0.53 H new ATOM 0 HG21 ILE A 122 2.157 -9.752 9.134 1.00 0.51 H new ATOM 0 HG22 ILE A 122 1.056 -10.850 10.000 1.00 0.51 H new ATOM 0 HG23 ILE A 122 1.830 -11.377 8.487 1.00 0.51 H new ATOM 0 HD11 ILE A 122 1.925 -7.951 6.011 1.00 0.57 H new ATOM 0 HD12 ILE A 122 0.996 -7.475 7.454 1.00 0.57 H new ATOM 0 HD13 ILE A 122 2.437 -8.507 7.623 1.00 0.57 H new ATOM 1706 N THR A 123 -3.105 -10.193 8.317 1.00 0.39 N ATOM 1707 CA THR A 123 -4.368 -9.580 7.816 1.00 0.40 C ATOM 1708 C THR A 123 -4.158 -8.075 7.650 1.00 0.39 C ATOM 1709 O THR A 123 -3.832 -7.379 8.589 1.00 0.52 O ATOM 1710 CB THR A 123 -5.495 -9.834 8.822 1.00 0.42 C ATOM 1711 OG1 THR A 123 -6.259 -10.956 8.401 1.00 0.67 O ATOM 1712 CG2 THR A 123 -6.398 -8.602 8.902 1.00 0.49 C ATOM 0 H THR A 123 -3.085 -10.395 9.317 1.00 0.39 H new ATOM 0 HA THR A 123 -4.638 -10.022 6.857 1.00 0.40 H new ATOM 0 HB THR A 123 -5.067 -10.032 9.805 1.00 0.42 H new ATOM 0 HG1 THR A 123 -6.980 -11.121 9.044 1.00 0.67 H new ATOM 0 HG21 THR A 123 -7.199 -8.784 9.618 1.00 0.49 H new ATOM 0 HG22 THR A 123 -5.812 -7.742 9.225 1.00 0.49 H new ATOM 0 HG23 THR A 123 -6.827 -8.401 7.920 1.00 0.49 H new ATOM 1720 N LEU A 124 -4.336 -7.565 6.461 1.00 0.34 N ATOM 1721 CA LEU A 124 -4.137 -6.103 6.243 1.00 0.36 C ATOM 1722 C LEU A 124 -5.425 -5.346 6.573 1.00 0.32 C ATOM 1723 O LEU A 124 -6.256 -5.111 5.718 1.00 0.35 O ATOM 1724 CB LEU A 124 -3.759 -5.850 4.783 1.00 0.42 C ATOM 1725 CG LEU A 124 -3.492 -4.359 4.577 1.00 0.47 C ATOM 1726 CD1 LEU A 124 -2.033 -4.152 4.167 1.00 0.60 C ATOM 1727 CD2 LEU A 124 -4.409 -3.825 3.475 1.00 0.60 C ATOM 0 H LEU A 124 -4.610 -8.095 5.634 1.00 0.34 H new ATOM 0 HA LEU A 124 -3.337 -5.751 6.894 1.00 0.36 H new ATOM 0 HB2 LEU A 124 -2.874 -6.429 4.520 1.00 0.42 H new ATOM 0 HB3 LEU A 124 -4.563 -6.181 4.125 1.00 0.42 H new ATOM 0 HG LEU A 124 -3.688 -3.824 5.506 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -1.844 -3.089 4.020 1.00 0.60 H new ATOM 0 HD12 LEU A 124 -1.377 -4.533 4.950 1.00 0.60 H new ATOM 0 HD13 LEU A 124 -1.837 -4.687 3.238 1.00 0.60 H new ATOM 0 HD21 LEU A 124 -4.219 -2.762 3.327 1.00 0.60 H new ATOM 0 HD22 LEU A 124 -4.212 -4.361 2.547 1.00 0.60 H new ATOM 0 HD23 LEU A 124 -5.450 -3.971 3.765 1.00 0.60 H new ATOM 1739 N THR A 125 -5.597 -4.963 7.809 1.00 0.32 N ATOM 1740 CA THR A 125 -6.831 -4.223 8.194 1.00 0.32 C ATOM 1741 C THR A 125 -6.612 -2.716 8.043 1.00 0.35 C ATOM 1742 O THR A 125 -5.673 -2.152 8.577 1.00 0.47 O ATOM 1743 CB THR A 125 -7.203 -4.540 9.645 1.00 0.35 C ATOM 1744 OG1 THR A 125 -7.285 -5.949 9.813 1.00 0.37 O ATOM 1745 CG2 THR A 125 -8.557 -3.904 9.976 1.00 0.39 C ATOM 0 H THR A 125 -4.936 -5.131 8.568 1.00 0.32 H new ATOM 0 HA THR A 125 -7.642 -4.536 7.537 1.00 0.32 H new ATOM 0 HB THR A 125 -6.442 -4.138 10.314 1.00 0.35 H new ATOM 0 HG1 THR A 125 -7.521 -6.155 10.742 1.00 0.37 H new ATOM 0 HG21 THR A 125 -8.822 -4.130 11.009 1.00 0.39 H new ATOM 0 HG22 THR A 125 -8.493 -2.824 9.845 1.00 0.39 H new ATOM 0 HG23 THR A 125 -9.320 -4.306 9.310 1.00 0.39 H new ATOM 1753 N VAL A 126 -7.483 -2.062 7.322 1.00 0.32 N ATOM 1754 CA VAL A 126 -7.343 -0.587 7.131 1.00 0.36 C ATOM 1755 C VAL A 126 -8.560 0.120 7.727 1.00 0.43 C ATOM 1756 O VAL A 126 -9.678 -0.059 7.278 1.00 0.48 O ATOM 1757 CB VAL A 126 -7.253 -0.246 5.639 1.00 0.35 C ATOM 1758 CG1 VAL A 126 -6.490 1.067 5.462 1.00 0.42 C ATOM 1759 CG2 VAL A 126 -6.516 -1.364 4.897 1.00 0.37 C ATOM 0 H VAL A 126 -8.286 -2.485 6.856 1.00 0.32 H new ATOM 0 HA VAL A 126 -6.432 -0.256 7.630 1.00 0.36 H new ATOM 0 HB VAL A 126 -8.259 -0.144 5.232 1.00 0.35 H new ATOM 0 HG11 VAL A 126 -6.426 1.310 4.401 1.00 0.42 H new ATOM 0 HG12 VAL A 126 -7.014 1.866 5.986 1.00 0.42 H new ATOM 0 HG13 VAL A 126 -5.485 0.962 5.872 1.00 0.42 H new ATOM 0 HG21 VAL A 126 -6.454 -1.118 3.837 1.00 0.37 H new ATOM 0 HG22 VAL A 126 -5.510 -1.470 5.304 1.00 0.37 H new ATOM 0 HG23 VAL A 126 -7.058 -2.302 5.021 1.00 0.37 H new ATOM 1769 N SER A 127 -8.349 0.924 8.730 1.00 0.51 N ATOM 1770 CA SER A 127 -9.485 1.652 9.356 1.00 0.60 C ATOM 1771 C SER A 127 -9.277 3.151 9.148 1.00 0.64 C ATOM 1772 O SER A 127 -8.286 3.574 8.587 1.00 1.19 O ATOM 1773 CB SER A 127 -9.532 1.343 10.853 1.00 0.81 C ATOM 1774 OG SER A 127 -10.846 0.936 11.207 1.00 1.21 O ATOM 0 H SER A 127 -7.435 1.109 9.144 1.00 0.51 H new ATOM 0 HA SER A 127 -10.424 1.339 8.900 1.00 0.60 H new ATOM 0 HB2 SER A 127 -8.817 0.557 11.096 1.00 0.81 H new ATOM 0 HB3 SER A 127 -9.245 2.224 11.427 1.00 0.81 H new ATOM 0 HG SER A 127 -10.852 -0.027 11.388 1.00 1.21 H new ATOM 1780 N THR A 128 -10.194 3.962 9.592 1.00 0.50 N ATOM 1781 CA THR A 128 -10.029 5.424 9.413 1.00 0.47 C ATOM 1782 C THR A 128 -8.824 5.880 10.230 1.00 0.63 C ATOM 1783 O THR A 128 -8.926 6.143 11.411 1.00 1.32 O ATOM 1784 CB THR A 128 -11.281 6.161 9.899 1.00 0.66 C ATOM 1785 OG1 THR A 128 -11.759 5.544 11.086 1.00 1.22 O ATOM 1786 CG2 THR A 128 -12.365 6.107 8.821 1.00 0.82 C ATOM 0 H THR A 128 -11.048 3.674 10.070 1.00 0.50 H new ATOM 0 HA THR A 128 -9.879 5.648 8.357 1.00 0.47 H new ATOM 0 HB THR A 128 -11.031 7.202 10.103 1.00 0.66 H new ATOM 0 HG1 THR A 128 -11.034 5.493 11.743 1.00 1.22 H new ATOM 0 HG21 THR A 128 -13.253 6.633 9.172 1.00 0.82 H new ATOM 0 HG22 THR A 128 -11.998 6.582 7.911 1.00 0.82 H new ATOM 0 HG23 THR A 128 -12.618 5.068 8.611 1.00 0.82 H new ATOM 1794 N SER A 129 -7.688 5.959 9.598 1.00 1.15 N ATOM 1795 CA SER A 129 -6.439 6.388 10.302 1.00 1.43 C ATOM 1796 C SER A 129 -5.958 5.258 11.210 1.00 0.83 C ATOM 1797 O SER A 129 -5.453 5.486 12.292 1.00 0.88 O ATOM 1798 CB SER A 129 -6.702 7.642 11.144 1.00 2.02 C ATOM 1799 OG SER A 129 -5.808 8.670 10.743 1.00 2.78 O ATOM 0 H SER A 129 -7.566 5.742 8.609 1.00 1.15 H new ATOM 0 HA SER A 129 -5.676 6.618 9.559 1.00 1.43 H new ATOM 0 HB2 SER A 129 -7.733 7.970 11.016 1.00 2.02 H new ATOM 0 HB3 SER A 129 -6.567 7.419 12.202 1.00 2.02 H new ATOM 0 HG SER A 129 -4.988 8.617 11.277 1.00 2.78 H new ATOM 1805 N SER A 130 -6.110 4.037 10.781 1.00 0.65 N ATOM 1806 CA SER A 130 -5.660 2.902 11.627 1.00 0.95 C ATOM 1807 C SER A 130 -5.281 1.709 10.746 1.00 0.78 C ATOM 1808 O SER A 130 -5.969 0.708 10.719 1.00 0.85 O ATOM 1809 CB SER A 130 -6.791 2.497 12.573 1.00 1.59 C ATOM 1810 OG SER A 130 -7.604 3.631 12.845 1.00 1.52 O ATOM 0 H SER A 130 -6.524 3.778 9.886 1.00 0.65 H new ATOM 0 HA SER A 130 -4.788 3.209 12.204 1.00 0.95 H new ATOM 0 HB2 SER A 130 -7.390 1.705 12.124 1.00 1.59 H new ATOM 0 HB3 SER A 130 -6.380 2.099 13.501 1.00 1.59 H new ATOM 0 HG SER A 130 -8.331 3.375 13.450 1.00 1.52 H new ATOM 1816 N LEU A 131 -4.190 1.799 10.032 1.00 0.61 N ATOM 1817 CA LEU A 131 -3.777 0.655 9.171 1.00 0.46 C ATOM 1818 C LEU A 131 -3.124 -0.395 10.068 1.00 0.42 C ATOM 1819 O LEU A 131 -1.923 -0.419 10.244 1.00 0.45 O ATOM 1820 CB LEU A 131 -2.776 1.125 8.108 1.00 0.39 C ATOM 1821 CG LEU A 131 -3.275 0.703 6.723 1.00 0.34 C ATOM 1822 CD1 LEU A 131 -2.580 1.529 5.637 1.00 0.40 C ATOM 1823 CD2 LEU A 131 -2.966 -0.777 6.500 1.00 0.37 C ATOM 0 H LEU A 131 -3.572 2.610 10.008 1.00 0.61 H new ATOM 0 HA LEU A 131 -4.645 0.237 8.661 1.00 0.46 H new ATOM 0 HB2 LEU A 131 -2.663 2.208 8.152 1.00 0.39 H new ATOM 0 HB3 LEU A 131 -1.794 0.694 8.301 1.00 0.39 H new ATOM 0 HG LEU A 131 -4.351 0.871 6.669 1.00 0.34 H new ATOM 0 HD11 LEU A 131 -2.943 1.220 4.657 1.00 0.40 H new ATOM 0 HD12 LEU A 131 -2.799 2.586 5.788 1.00 0.40 H new ATOM 0 HD13 LEU A 131 -1.503 1.370 5.692 1.00 0.40 H new ATOM 0 HD21 LEU A 131 -3.321 -1.078 5.514 1.00 0.37 H new ATOM 0 HD22 LEU A 131 -1.890 -0.937 6.563 1.00 0.37 H new ATOM 0 HD23 LEU A 131 -3.467 -1.372 7.264 1.00 0.37 H new ATOM 1835 N ASN A 132 -3.911 -1.259 10.645 1.00 0.43 N ATOM 1836 CA ASN A 132 -3.344 -2.304 11.540 1.00 0.43 C ATOM 1837 C ASN A 132 -3.201 -3.601 10.760 1.00 0.45 C ATOM 1838 O ASN A 132 -4.138 -4.058 10.149 1.00 0.54 O ATOM 1839 CB ASN A 132 -4.292 -2.535 12.717 1.00 0.53 C ATOM 1840 CG ASN A 132 -5.102 -1.266 12.989 1.00 1.79 C ATOM 1841 OD1 ASN A 132 -4.590 -0.170 12.885 1.00 2.63 O ATOM 1842 ND2 ASN A 132 -6.356 -1.369 13.335 1.00 2.34 N ATOM 0 H ASN A 132 -4.925 -1.286 10.535 1.00 0.43 H new ATOM 0 HA ASN A 132 -2.371 -1.980 11.910 1.00 0.43 H new ATOM 0 HB2 ASN A 132 -4.963 -3.365 12.497 1.00 0.53 H new ATOM 0 HB3 ASN A 132 -3.723 -2.811 13.605 1.00 0.53 H new ATOM 0 HD21 ASN A 132 -6.905 -0.529 13.518 1.00 2.34 H new ATOM 0 HD22 ASN A 132 -6.787 -2.289 13.423 1.00 2.34 H new ATOM 1849 N LEU A 133 -2.047 -4.203 10.773 1.00 0.46 N ATOM 1850 CA LEU A 133 -1.886 -5.474 10.020 1.00 0.53 C ATOM 1851 C LEU A 133 -1.853 -6.638 11.009 1.00 0.59 C ATOM 1852 O LEU A 133 -0.830 -6.954 11.566 1.00 1.22 O ATOM 1853 CB LEU A 133 -0.583 -5.430 9.218 1.00 0.57 C ATOM 1854 CG LEU A 133 -0.846 -4.796 7.847 1.00 0.63 C ATOM 1855 CD1 LEU A 133 -1.813 -3.619 7.997 1.00 1.07 C ATOM 1856 CD2 LEU A 133 0.473 -4.294 7.256 1.00 1.35 C ATOM 0 H LEU A 133 -1.217 -3.875 11.267 1.00 0.46 H new ATOM 0 HA LEU A 133 -2.721 -5.607 9.332 1.00 0.53 H new ATOM 0 HB2 LEU A 133 0.169 -4.855 9.758 1.00 0.57 H new ATOM 0 HB3 LEU A 133 -0.186 -6.437 9.094 1.00 0.57 H new ATOM 0 HG LEU A 133 -1.285 -5.543 7.185 1.00 0.63 H new ATOM 0 HD11 LEU A 133 -1.996 -3.172 7.020 1.00 1.07 H new ATOM 0 HD12 LEU A 133 -2.755 -3.973 8.417 1.00 1.07 H new ATOM 0 HD13 LEU A 133 -1.377 -2.873 8.661 1.00 1.07 H new ATOM 0 HD21 LEU A 133 0.287 -3.843 6.281 1.00 1.35 H new ATOM 0 HD22 LEU A 133 0.911 -3.550 7.922 1.00 1.35 H new ATOM 0 HD23 LEU A 133 1.163 -5.130 7.143 1.00 1.35 H new ATOM 1868 N MET A 134 -2.966 -7.277 11.238 1.00 0.54 N ATOM 1869 CA MET A 134 -2.975 -8.414 12.201 1.00 0.54 C ATOM 1870 C MET A 134 -1.916 -9.442 11.797 1.00 0.52 C ATOM 1871 O MET A 134 -1.518 -9.525 10.652 1.00 0.60 O ATOM 1872 CB MET A 134 -4.354 -9.068 12.217 1.00 0.57 C ATOM 1873 CG MET A 134 -4.854 -9.134 13.660 1.00 0.64 C ATOM 1874 SD MET A 134 -6.482 -9.919 13.701 1.00 0.86 S ATOM 1875 CE MET A 134 -5.918 -11.530 14.295 1.00 0.96 C ATOM 0 H MET A 134 -3.864 -7.064 10.804 1.00 0.54 H new ATOM 0 HA MET A 134 -2.747 -8.040 13.199 1.00 0.54 H new ATOM 0 HB2 MET A 134 -5.050 -8.496 11.603 1.00 0.57 H new ATOM 0 HB3 MET A 134 -4.301 -10.070 11.790 1.00 0.57 H new ATOM 0 HG2 MET A 134 -4.151 -9.698 14.274 1.00 0.64 H new ATOM 0 HG3 MET A 134 -4.912 -8.131 14.082 1.00 0.64 H new ATOM 0 HE1 MET A 134 -6.772 -12.199 14.399 1.00 0.96 H new ATOM 0 HE2 MET A 134 -5.211 -11.953 13.582 1.00 0.96 H new ATOM 0 HE3 MET A 134 -5.430 -11.411 15.262 1.00 0.96 H new ATOM 1885 N ALA A 135 -1.455 -10.221 12.734 1.00 0.68 N ATOM 1886 CA ALA A 135 -0.417 -11.243 12.420 1.00 0.68 C ATOM 1887 C ALA A 135 -1.040 -12.641 12.457 1.00 0.66 C ATOM 1888 O ALA A 135 -1.365 -13.163 13.507 1.00 0.71 O ATOM 1889 CB ALA A 135 0.710 -11.156 13.451 1.00 0.70 C ATOM 0 H ALA A 135 -1.753 -10.194 13.709 1.00 0.68 H new ATOM 0 HA ALA A 135 -0.015 -11.056 11.424 1.00 0.68 H new ATOM 0 HB1 ALA A 135 1.470 -11.903 13.223 1.00 0.70 H new ATOM 0 HB2 ALA A 135 1.157 -10.162 13.419 1.00 0.70 H new ATOM 0 HB3 ALA A 135 0.307 -11.341 14.447 1.00 0.70 H new ATOM 1895 N ALA A 136 -1.204 -13.246 11.312 1.00 0.62 N ATOM 1896 CA ALA A 136 -1.802 -14.611 11.245 1.00 0.63 C ATOM 1897 C ALA A 136 -0.696 -15.674 11.263 1.00 0.68 C ATOM 1898 O ALA A 136 -0.884 -16.778 10.790 1.00 1.25 O ATOM 1899 CB ALA A 136 -2.598 -14.748 9.942 1.00 0.66 C ATOM 0 H ALA A 136 -0.946 -12.848 10.409 1.00 0.62 H new ATOM 0 HA ALA A 136 -2.456 -14.755 12.105 1.00 0.63 H new ATOM 0 HB1 ALA A 136 -3.038 -15.744 9.887 1.00 0.66 H new ATOM 0 HB2 ALA A 136 -3.390 -14.000 9.919 1.00 0.66 H new ATOM 0 HB3 ALA A 136 -1.933 -14.598 9.092 1.00 0.66 H new ATOM 1905 N ASP A 137 0.454 -15.361 11.798 1.00 1.07 N ATOM 1906 CA ASP A 137 1.552 -16.367 11.830 1.00 1.19 C ATOM 1907 C ASP A 137 1.702 -16.926 13.247 1.00 0.99 C ATOM 1908 O ASP A 137 1.407 -18.076 13.505 1.00 1.00 O ATOM 1909 CB ASP A 137 2.863 -15.706 11.400 1.00 1.55 C ATOM 1910 CG ASP A 137 3.648 -16.665 10.504 1.00 2.00 C ATOM 1911 OD1 ASP A 137 3.390 -17.855 10.575 1.00 2.59 O ATOM 1912 OD2 ASP A 137 4.493 -16.193 9.761 1.00 2.31 O ATOM 0 H ASP A 137 0.679 -14.456 12.212 1.00 1.07 H new ATOM 0 HA ASP A 137 1.313 -17.181 11.146 1.00 1.19 H new ATOM 0 HB2 ASP A 137 2.657 -14.779 10.866 1.00 1.55 H new ATOM 0 HB3 ASP A 137 3.455 -15.444 12.277 1.00 1.55 H new ATOM 1917 N CYS A 138 2.160 -16.123 14.169 1.00 1.51 N ATOM 1918 CA CYS A 138 2.328 -16.615 15.566 1.00 1.71 C ATOM 1919 C CYS A 138 1.252 -15.996 16.460 1.00 1.35 C ATOM 1920 O CYS A 138 1.484 -15.710 17.618 1.00 1.76 O ATOM 1921 CB CYS A 138 3.712 -16.215 16.083 1.00 2.62 C ATOM 1922 SG CYS A 138 4.906 -17.511 15.672 1.00 3.69 S ATOM 0 H CYS A 138 2.424 -15.150 14.016 1.00 1.51 H new ATOM 0 HA CYS A 138 2.232 -17.701 15.582 1.00 1.71 H new ATOM 0 HB2 CYS A 138 4.019 -15.268 15.638 1.00 2.62 H new ATOM 0 HB3 CYS A 138 3.680 -16.064 17.162 1.00 2.62 H new ATOM 0 HG CYS A 138 6.082 -17.171 16.109 1.00 3.69 H new ATOM 1928 N LYS A 139 0.077 -15.788 15.931 1.00 1.22 N ATOM 1929 CA LYS A 139 -1.015 -15.188 16.749 1.00 2.02 C ATOM 1930 C LYS A 139 -0.530 -13.874 17.358 1.00 1.40 C ATOM 1931 O LYS A 139 -0.305 -13.771 18.547 1.00 1.46 O ATOM 1932 CB LYS A 139 -1.410 -16.156 17.863 1.00 3.15 C ATOM 1933 CG LYS A 139 -2.329 -17.233 17.286 1.00 4.30 C ATOM 1934 CD LYS A 139 -3.640 -17.270 18.075 1.00 5.20 C ATOM 1935 CE LYS A 139 -4.741 -16.579 17.268 1.00 5.92 C ATOM 1936 NZ LYS A 139 -4.784 -15.132 17.623 1.00 6.90 N ATOM 0 H LYS A 139 -0.174 -16.008 14.967 1.00 1.22 H new ATOM 0 HA LYS A 139 -1.881 -14.996 16.116 1.00 2.02 H new ATOM 0 HB2 LYS A 139 -0.521 -16.613 18.297 1.00 3.15 H new ATOM 0 HB3 LYS A 139 -1.916 -15.620 18.665 1.00 3.15 H new ATOM 0 HG2 LYS A 139 -2.532 -17.027 16.235 1.00 4.30 H new ATOM 0 HG3 LYS A 139 -1.839 -18.205 17.331 1.00 4.30 H new ATOM 0 HD2 LYS A 139 -3.921 -18.302 18.285 1.00 5.20 H new ATOM 0 HD3 LYS A 139 -3.512 -16.773 19.036 1.00 5.20 H new ATOM 0 HE2 LYS A 139 -4.553 -16.697 16.201 1.00 5.92 H new ATOM 0 HE3 LYS A 139 -5.705 -17.044 17.475 1.00 5.92 H new ATOM 0 HZ1 LYS A 139 -5.532 -14.662 17.075 1.00 6.90 H new ATOM 0 HZ2 LYS A 139 -4.983 -15.029 18.639 1.00 6.90 H new ATOM 0 HZ3 LYS A 139 -3.867 -14.693 17.404 1.00 6.90 H new ATOM 1950 N GLN A 140 -0.366 -12.868 16.547 1.00 0.95 N ATOM 1951 CA GLN A 140 0.106 -11.554 17.070 1.00 0.83 C ATOM 1952 C GLN A 140 -0.620 -10.431 16.327 1.00 0.74 C ATOM 1953 O GLN A 140 -1.675 -10.641 15.767 1.00 0.85 O ATOM 1954 CB GLN A 140 1.616 -11.432 16.843 1.00 1.25 C ATOM 1955 CG GLN A 140 2.299 -11.040 18.155 1.00 1.89 C ATOM 1956 CD GLN A 140 3.814 -11.187 18.005 1.00 2.48 C ATOM 1957 OE1 GLN A 140 4.396 -10.679 17.067 1.00 2.81 O ATOM 1958 NE2 GLN A 140 4.484 -11.865 18.897 1.00 3.19 N ATOM 0 H GLN A 140 -0.538 -12.898 15.542 1.00 0.95 H new ATOM 0 HA GLN A 140 -0.105 -11.481 18.137 1.00 0.83 H new ATOM 0 HB2 GLN A 140 2.018 -12.378 16.480 1.00 1.25 H new ATOM 0 HB3 GLN A 140 1.820 -10.684 16.077 1.00 1.25 H new ATOM 0 HG2 GLN A 140 2.047 -10.012 18.416 1.00 1.89 H new ATOM 0 HG3 GLN A 140 1.940 -11.672 18.967 1.00 1.89 H new ATOM 0 HE21 GLN A 140 3.997 -12.292 19.685 1.00 3.19 H new ATOM 0 HE22 GLN A 140 5.495 -11.968 18.806 1.00 3.19 H new ATOM 1967 N ILE A 141 -0.067 -9.245 16.316 1.00 0.73 N ATOM 1968 CA ILE A 141 -0.731 -8.113 15.604 1.00 0.65 C ATOM 1969 C ILE A 141 0.327 -7.078 15.208 1.00 0.65 C ATOM 1970 O ILE A 141 0.795 -6.317 16.029 1.00 0.77 O ATOM 1971 CB ILE A 141 -1.778 -7.460 16.522 1.00 0.68 C ATOM 1972 CG1 ILE A 141 -2.951 -8.432 16.708 1.00 1.02 C ATOM 1973 CG2 ILE A 141 -2.284 -6.149 15.899 1.00 0.81 C ATOM 1974 CD1 ILE A 141 -4.204 -7.672 17.150 1.00 1.05 C ATOM 0 H ILE A 141 0.816 -9.012 16.770 1.00 0.73 H new ATOM 0 HA ILE A 141 -1.229 -8.488 14.710 1.00 0.65 H new ATOM 0 HB ILE A 141 -1.326 -7.235 17.488 1.00 0.68 H new ATOM 0 HG12 ILE A 141 -3.147 -8.959 15.774 1.00 1.02 H new ATOM 0 HG13 ILE A 141 -2.693 -9.186 17.452 1.00 1.02 H new ATOM 0 HG21 ILE A 141 -3.025 -5.695 16.557 1.00 0.81 H new ATOM 0 HG22 ILE A 141 -1.448 -5.463 15.766 1.00 0.81 H new ATOM 0 HG23 ILE A 141 -2.739 -6.358 14.931 1.00 0.81 H new ATOM 0 HD11 ILE A 141 -5.029 -8.373 17.278 1.00 1.05 H new ATOM 0 HD12 ILE A 141 -4.008 -7.166 18.095 1.00 1.05 H new ATOM 0 HD13 ILE A 141 -4.469 -6.935 16.392 1.00 1.05 H new ATOM 1986 N ILE A 142 0.702 -7.042 13.956 1.00 0.68 N ATOM 1987 CA ILE A 142 1.722 -6.054 13.511 1.00 0.68 C ATOM 1988 C ILE A 142 1.141 -4.648 13.638 1.00 0.65 C ATOM 1989 O ILE A 142 0.496 -4.133 12.738 1.00 0.63 O ATOM 1990 CB ILE A 142 2.127 -6.324 12.056 1.00 0.73 C ATOM 1991 CG1 ILE A 142 2.937 -7.629 11.999 1.00 0.77 C ATOM 1992 CG2 ILE A 142 2.959 -5.151 11.521 1.00 0.77 C ATOM 1993 CD1 ILE A 142 4.355 -7.367 11.481 1.00 0.71 C ATOM 0 H ILE A 142 0.344 -7.656 13.224 1.00 0.68 H new ATOM 0 HA ILE A 142 2.609 -6.144 14.137 1.00 0.68 H new ATOM 0 HB ILE A 142 1.237 -6.425 11.434 1.00 0.73 H new ATOM 0 HG12 ILE A 142 2.985 -8.076 12.992 1.00 0.77 H new ATOM 0 HG13 ILE A 142 2.435 -8.346 11.350 1.00 0.77 H new ATOM 0 HG21 ILE A 142 3.244 -5.348 10.488 1.00 0.77 H new ATOM 0 HG22 ILE A 142 2.369 -4.236 11.566 1.00 0.77 H new ATOM 0 HG23 ILE A 142 3.856 -5.034 12.129 1.00 0.77 H new ATOM 0 HD11 ILE A 142 4.910 -8.305 11.449 1.00 0.71 H new ATOM 0 HD12 ILE A 142 4.303 -6.942 10.479 1.00 0.71 H new ATOM 0 HD13 ILE A 142 4.862 -6.668 12.146 1.00 0.71 H new ATOM 2005 N ALA A 143 1.378 -4.033 14.758 1.00 0.69 N ATOM 2006 CA ALA A 143 0.870 -2.654 15.001 1.00 0.70 C ATOM 2007 C ALA A 143 -0.658 -2.624 14.985 1.00 0.64 C ATOM 2008 O ALA A 143 -1.292 -2.998 14.019 1.00 0.85 O ATOM 2009 CB ALA A 143 1.407 -1.719 13.917 1.00 0.72 C ATOM 0 H ALA A 143 1.911 -4.433 15.530 1.00 0.69 H new ATOM 0 HA ALA A 143 1.212 -2.326 15.983 1.00 0.70 H new ATOM 0 HB1 ALA A 143 1.037 -0.709 14.092 1.00 0.72 H new ATOM 0 HB2 ALA A 143 2.497 -1.716 13.946 1.00 0.72 H new ATOM 0 HB3 ALA A 143 1.071 -2.064 12.939 1.00 0.72 H new ATOM 2015 N ASN A 144 -1.251 -2.166 16.052 1.00 0.62 N ATOM 2016 CA ASN A 144 -2.736 -2.091 16.110 1.00 0.64 C ATOM 2017 C ASN A 144 -3.205 -0.722 15.588 1.00 0.67 C ATOM 2018 O ASN A 144 -4.388 -0.454 15.515 1.00 0.97 O ATOM 2019 CB ASN A 144 -3.198 -2.270 17.558 1.00 0.72 C ATOM 2020 CG ASN A 144 -4.642 -2.774 17.577 1.00 1.26 C ATOM 2021 OD1 ASN A 144 -5.000 -3.658 18.467 1.00 2.09 O flip ATOM 2022 ND2 ASN A 144 -5.453 -2.359 16.773 1.00 1.82 N flip ATOM 0 H ASN A 144 -0.768 -1.839 16.889 1.00 0.62 H new ATOM 0 HA ASN A 144 -3.163 -2.880 15.490 1.00 0.64 H new ATOM 0 HB2 ASN A 144 -2.548 -2.978 18.073 1.00 0.72 H new ATOM 0 HB3 ASN A 144 -3.125 -1.323 18.093 1.00 0.72 H new ATOM 0 HD21 ASN A 144 -5.173 -1.668 16.077 1.00 1.82 H new ATOM 0 HD22 ASN A 144 -6.413 -2.702 16.794 1.00 1.82 H new ATOM 2029 N HIS A 145 -2.292 0.151 15.226 1.00 0.70 N ATOM 2030 CA HIS A 145 -2.699 1.490 14.716 1.00 0.75 C ATOM 2031 C HIS A 145 -1.566 2.074 13.866 1.00 0.71 C ATOM 2032 O HIS A 145 -1.117 3.180 14.090 1.00 1.01 O ATOM 2033 CB HIS A 145 -2.983 2.417 15.900 1.00 0.91 C ATOM 2034 CG HIS A 145 -2.170 1.977 17.086 1.00 1.52 C ATOM 2035 ND1 HIS A 145 -0.851 1.614 17.210 1.00 2.24 N flip ATOM 2036 CD2 HIS A 145 -2.714 1.866 18.356 1.00 2.45 C flip ATOM 2037 CE1 HIS A 145 -0.580 1.283 18.534 1.00 3.02 C flip ATOM 2038 NE2 HIS A 145 -1.736 1.452 19.182 1.00 3.22 N flip ATOM 0 H HIS A 145 -1.286 -0.011 15.264 1.00 0.70 H new ATOM 0 HA HIS A 145 -3.597 1.394 14.106 1.00 0.75 H new ATOM 0 HB2 HIS A 145 -2.736 3.446 15.638 1.00 0.91 H new ATOM 0 HB3 HIS A 145 -4.045 2.397 16.145 1.00 0.91 H new ATOM 0 HD2 HIS A 145 -3.737 2.074 18.632 1.00 2.45 H new ATOM 0 HE1 HIS A 145 0.363 0.959 18.949 1.00 3.02 H new ATOM 0 HE2 HIS A 145 -1.862 1.287 20.181 1.00 3.22 H new ATOM 2046 N HIS A 146 -1.100 1.339 12.891 1.00 0.74 N ATOM 2047 CA HIS A 146 0.004 1.853 12.028 1.00 0.67 C ATOM 2048 C HIS A 146 -0.532 2.968 11.124 1.00 0.73 C ATOM 2049 O HIS A 146 -0.979 2.723 10.021 1.00 1.31 O ATOM 2050 CB HIS A 146 0.551 0.712 11.160 1.00 0.61 C ATOM 2051 CG HIS A 146 2.010 0.490 11.465 1.00 0.68 C ATOM 2052 ND1 HIS A 146 2.785 -0.648 11.487 1.00 0.93 N flip ATOM 2053 CD2 HIS A 146 2.860 1.533 11.800 1.00 0.74 C flip ATOM 2054 CE1 HIS A 146 4.092 -0.314 11.829 1.00 1.13 C flip ATOM 2055 NE2 HIS A 146 4.083 1.009 12.007 1.00 1.02 N flip ATOM 0 H HIS A 146 -1.436 0.405 12.655 1.00 0.74 H new ATOM 0 HA HIS A 146 0.803 2.246 12.657 1.00 0.67 H new ATOM 0 HB2 HIS A 146 -0.012 -0.202 11.348 1.00 0.61 H new ATOM 0 HB3 HIS A 146 0.424 0.953 10.105 1.00 0.61 H new ATOM 0 HD2 HIS A 146 2.590 2.576 11.880 1.00 0.74 H new ATOM 0 HE1 HIS A 146 4.934 -0.983 11.929 1.00 1.13 H new ATOM 0 HE2 HIS A 146 4.903 1.557 12.268 1.00 1.02 H new ATOM 2063 N MET A 147 -0.490 4.192 11.581 1.00 0.57 N ATOM 2064 CA MET A 147 -0.997 5.319 10.745 1.00 0.58 C ATOM 2065 C MET A 147 -0.577 6.651 11.373 1.00 0.69 C ATOM 2066 O MET A 147 -1.395 7.415 11.845 1.00 1.70 O ATOM 2067 CB MET A 147 -2.526 5.251 10.661 1.00 0.60 C ATOM 2068 CG MET A 147 -2.983 5.658 9.257 1.00 0.96 C ATOM 2069 SD MET A 147 -4.050 4.367 8.570 1.00 1.39 S ATOM 2070 CE MET A 147 -3.278 4.280 6.936 1.00 0.55 C ATOM 0 H MET A 147 -0.127 4.459 12.496 1.00 0.57 H new ATOM 0 HA MET A 147 -0.577 5.242 9.742 1.00 0.58 H new ATOM 0 HB2 MET A 147 -2.868 4.241 10.887 1.00 0.60 H new ATOM 0 HB3 MET A 147 -2.971 5.912 11.405 1.00 0.60 H new ATOM 0 HG2 MET A 147 -3.521 6.605 9.299 1.00 0.96 H new ATOM 0 HG3 MET A 147 -2.118 5.811 8.612 1.00 0.96 H new ATOM 0 HE1 MET A 147 -3.853 3.609 6.297 1.00 0.55 H new ATOM 0 HE2 MET A 147 -3.256 5.275 6.491 1.00 0.55 H new ATOM 0 HE3 MET A 147 -2.260 3.903 7.034 1.00 0.55 H new ATOM 2080 N GLN A 148 0.695 6.935 11.382 1.00 0.65 N ATOM 2081 CA GLN A 148 1.166 8.218 11.979 1.00 0.61 C ATOM 2082 C GLN A 148 2.546 8.572 11.422 1.00 0.52 C ATOM 2083 O GLN A 148 2.823 9.712 11.118 1.00 0.62 O ATOM 2084 CB GLN A 148 1.253 8.072 13.500 1.00 0.69 C ATOM 2085 CG GLN A 148 -0.133 8.276 14.113 1.00 1.03 C ATOM 2086 CD GLN A 148 0.012 8.720 15.570 1.00 1.49 C ATOM 2087 OE1 GLN A 148 0.632 9.726 15.851 1.00 1.95 O ATOM 2088 NE2 GLN A 148 -0.538 8.006 16.514 1.00 1.99 N ATOM 0 H GLN A 148 1.429 6.336 11.003 1.00 0.65 H new ATOM 0 HA GLN A 148 0.462 9.011 11.728 1.00 0.61 H new ATOM 0 HB2 GLN A 148 1.635 7.085 13.760 1.00 0.69 H new ATOM 0 HB3 GLN A 148 1.953 8.802 13.906 1.00 0.69 H new ATOM 0 HG2 GLN A 148 -0.686 9.026 13.547 1.00 1.03 H new ATOM 0 HG3 GLN A 148 -0.706 7.350 14.059 1.00 1.03 H new ATOM 0 HE21 GLN A 148 -1.058 7.161 16.277 1.00 1.99 H new ATOM 0 HE22 GLN A 148 -0.447 8.293 17.489 1.00 1.99 H new ATOM 2097 N SER A 149 3.419 7.612 11.282 1.00 0.61 N ATOM 2098 CA SER A 149 4.771 7.923 10.740 1.00 0.58 C ATOM 2099 C SER A 149 4.853 7.449 9.283 1.00 0.57 C ATOM 2100 O SER A 149 4.575 8.202 8.370 1.00 0.60 O ATOM 2101 CB SER A 149 5.841 7.227 11.584 1.00 0.63 C ATOM 2102 OG SER A 149 6.039 7.956 12.788 1.00 0.98 O ATOM 0 H SER A 149 3.256 6.633 11.518 1.00 0.61 H new ATOM 0 HA SER A 149 4.943 8.999 10.778 1.00 0.58 H new ATOM 0 HB2 SER A 149 5.534 6.206 11.810 1.00 0.63 H new ATOM 0 HB3 SER A 149 6.775 7.163 11.026 1.00 0.63 H new ATOM 0 HG SER A 149 6.098 7.333 13.542 1.00 0.98 H new ATOM 2108 N ILE A 150 5.228 6.211 9.056 1.00 0.56 N ATOM 2109 CA ILE A 150 5.324 5.695 7.659 1.00 0.57 C ATOM 2110 C ILE A 150 6.162 6.668 6.814 1.00 0.61 C ATOM 2111 O ILE A 150 6.995 7.383 7.335 1.00 0.84 O ATOM 2112 CB ILE A 150 3.915 5.540 7.068 1.00 0.54 C ATOM 2113 CG1 ILE A 150 2.905 5.313 8.200 1.00 0.46 C ATOM 2114 CG2 ILE A 150 3.882 4.335 6.118 1.00 0.70 C ATOM 2115 CD1 ILE A 150 1.742 4.457 7.689 1.00 0.47 C ATOM 0 H ILE A 150 5.471 5.537 9.782 1.00 0.56 H new ATOM 0 HA ILE A 150 5.809 4.719 7.657 1.00 0.57 H new ATOM 0 HB ILE A 150 3.656 6.446 6.520 1.00 0.54 H new ATOM 0 HG12 ILE A 150 3.391 4.818 9.041 1.00 0.46 H new ATOM 0 HG13 ILE A 150 2.532 6.270 8.565 1.00 0.46 H new ATOM 0 HG21 ILE A 150 2.881 4.228 5.701 1.00 0.70 H new ATOM 0 HG22 ILE A 150 4.597 4.489 5.310 1.00 0.70 H new ATOM 0 HG23 ILE A 150 4.144 3.431 6.668 1.00 0.70 H new ATOM 0 HD11 ILE A 150 1.026 4.297 8.495 1.00 0.47 H new ATOM 0 HD12 ILE A 150 1.249 4.969 6.862 1.00 0.47 H new ATOM 0 HD13 ILE A 150 2.122 3.495 7.345 1.00 0.47 H new ATOM 2127 N SER A 151 5.961 6.709 5.521 1.00 0.57 N ATOM 2128 CA SER A 151 6.763 7.645 4.681 1.00 0.60 C ATOM 2129 C SER A 151 6.290 7.570 3.229 1.00 0.57 C ATOM 2130 O SER A 151 5.973 8.571 2.618 1.00 0.69 O ATOM 2131 CB SER A 151 8.240 7.259 4.757 1.00 0.66 C ATOM 2132 OG SER A 151 8.358 5.961 5.324 1.00 0.82 O ATOM 0 H SER A 151 5.282 6.140 5.016 1.00 0.57 H new ATOM 0 HA SER A 151 6.632 8.662 5.050 1.00 0.60 H new ATOM 0 HB2 SER A 151 8.684 7.275 3.761 1.00 0.66 H new ATOM 0 HB3 SER A 151 8.786 7.983 5.361 1.00 0.66 H new ATOM 0 HG SER A 151 9.304 5.710 5.373 1.00 0.82 H new ATOM 2138 N PHE A 152 6.239 6.393 2.671 1.00 0.53 N ATOM 2139 CA PHE A 152 5.785 6.261 1.257 1.00 0.51 C ATOM 2140 C PHE A 152 4.942 4.993 1.123 1.00 0.48 C ATOM 2141 O PHE A 152 5.246 3.975 1.708 1.00 0.73 O ATOM 2142 CB PHE A 152 7.008 6.171 0.334 1.00 0.57 C ATOM 2143 CG PHE A 152 6.728 6.876 -0.975 1.00 0.66 C ATOM 2144 CD1 PHE A 152 6.224 8.182 -0.978 1.00 1.30 C ATOM 2145 CD2 PHE A 152 6.978 6.222 -2.188 1.00 1.42 C ATOM 2146 CE1 PHE A 152 5.968 8.833 -2.190 1.00 1.41 C ATOM 2147 CE2 PHE A 152 6.723 6.874 -3.401 1.00 1.56 C ATOM 2148 CZ PHE A 152 6.218 8.179 -3.402 1.00 1.07 C ATOM 0 H PHE A 152 6.491 5.518 3.131 1.00 0.53 H new ATOM 0 HA PHE A 152 5.188 7.129 0.976 1.00 0.51 H new ATOM 0 HB2 PHE A 152 7.873 6.621 0.820 1.00 0.57 H new ATOM 0 HB3 PHE A 152 7.255 5.126 0.147 1.00 0.57 H new ATOM 0 HD1 PHE A 152 6.032 8.688 -0.043 1.00 1.30 H new ATOM 0 HD2 PHE A 152 7.368 5.215 -2.188 1.00 1.42 H new ATOM 0 HE1 PHE A 152 5.578 9.840 -2.190 1.00 1.41 H new ATOM 0 HE2 PHE A 152 6.916 6.369 -4.336 1.00 1.56 H new ATOM 0 HZ PHE A 152 6.021 8.681 -4.338 1.00 1.07 H new ATOM 2158 N ALA A 153 3.883 5.043 0.366 1.00 0.42 N ATOM 2159 CA ALA A 153 3.031 3.832 0.212 1.00 0.38 C ATOM 2160 C ALA A 153 2.496 3.757 -1.219 1.00 0.38 C ATOM 2161 O ALA A 153 2.167 4.758 -1.820 1.00 0.42 O ATOM 2162 CB ALA A 153 1.861 3.914 1.192 1.00 0.35 C ATOM 0 H ALA A 153 3.571 5.865 -0.151 1.00 0.42 H new ATOM 0 HA ALA A 153 3.623 2.941 0.420 1.00 0.38 H new ATOM 0 HB1 ALA A 153 1.233 3.030 1.084 1.00 0.35 H new ATOM 0 HB2 ALA A 153 2.243 3.965 2.211 1.00 0.35 H new ATOM 0 HB3 ALA A 153 1.271 4.806 0.980 1.00 0.35 H new ATOM 2168 N SER A 154 2.407 2.575 -1.766 1.00 0.39 N ATOM 2169 CA SER A 154 1.893 2.429 -3.157 1.00 0.42 C ATOM 2170 C SER A 154 1.828 0.944 -3.523 1.00 0.44 C ATOM 2171 O SER A 154 2.034 0.079 -2.694 1.00 0.48 O ATOM 2172 CB SER A 154 2.829 3.148 -4.130 1.00 0.49 C ATOM 2173 OG SER A 154 4.094 2.499 -4.130 1.00 0.59 O ATOM 0 H SER A 154 2.669 1.702 -1.308 1.00 0.39 H new ATOM 0 HA SER A 154 0.897 2.867 -3.221 1.00 0.42 H new ATOM 0 HB2 SER A 154 2.404 3.142 -5.134 1.00 0.49 H new ATOM 0 HB3 SER A 154 2.943 4.192 -3.839 1.00 0.49 H new ATOM 0 HG SER A 154 4.512 2.597 -5.011 1.00 0.59 H new ATOM 2179 N GLY A 155 1.544 0.642 -4.760 1.00 0.57 N ATOM 2180 CA GLY A 155 1.466 -0.785 -5.180 1.00 0.62 C ATOM 2181 C GLY A 155 0.367 -0.949 -6.231 1.00 0.48 C ATOM 2182 O GLY A 155 -0.637 -1.592 -5.997 1.00 1.08 O ATOM 0 H GLY A 155 1.363 1.322 -5.498 1.00 0.57 H new ATOM 0 HA2 GLY A 155 2.424 -1.108 -5.587 1.00 0.62 H new ATOM 0 HA3 GLY A 155 1.256 -1.418 -4.318 1.00 0.62 H new ATOM 2186 N GLY A 156 0.548 -0.372 -7.387 1.00 0.66 N ATOM 2187 CA GLY A 156 -0.488 -0.495 -8.452 1.00 0.53 C ATOM 2188 C GLY A 156 0.162 -0.979 -9.749 1.00 0.76 C ATOM 2189 O GLY A 156 0.659 -2.084 -9.831 1.00 1.20 O ATOM 0 H GLY A 156 1.368 0.179 -7.640 1.00 0.66 H new ATOM 0 HA2 GLY A 156 -1.264 -1.194 -8.139 1.00 0.53 H new ATOM 0 HA3 GLY A 156 -0.973 0.468 -8.614 1.00 0.53 H new ATOM 2193 N ASP A 157 0.160 -0.159 -10.765 1.00 1.29 N ATOM 2194 CA ASP A 157 0.775 -0.570 -12.059 1.00 1.85 C ATOM 2195 C ASP A 157 2.305 -0.643 -11.924 1.00 1.21 C ATOM 2196 O ASP A 157 2.885 -1.682 -12.171 1.00 1.24 O ATOM 2197 CB ASP A 157 0.393 0.430 -13.154 1.00 2.82 C ATOM 2198 CG ASP A 157 -0.699 -0.173 -14.039 1.00 3.83 C ATOM 2199 OD1 ASP A 157 -0.450 -1.212 -14.628 1.00 4.28 O ATOM 2200 OD2 ASP A 157 -1.766 0.415 -14.113 1.00 4.46 O ATOM 0 H ASP A 157 -0.241 0.779 -10.754 1.00 1.29 H new ATOM 0 HA ASP A 157 0.402 -1.558 -12.329 1.00 1.85 H new ATOM 0 HB2 ASP A 157 0.041 1.359 -12.706 1.00 2.82 H new ATOM 0 HB3 ASP A 157 1.267 0.678 -13.756 1.00 2.82 H new ATOM 2205 N PRO A 158 2.928 0.452 -11.540 1.00 0.92 N ATOM 2206 CA PRO A 158 4.386 0.507 -11.378 1.00 0.80 C ATOM 2207 C PRO A 158 4.802 -0.227 -10.099 1.00 0.95 C ATOM 2208 O PRO A 158 4.017 -0.929 -9.499 1.00 1.16 O ATOM 2209 CB PRO A 158 4.739 1.986 -11.281 1.00 1.20 C ATOM 2210 CG PRO A 158 3.435 2.619 -10.739 1.00 1.41 C ATOM 2211 CD PRO A 158 2.257 1.740 -11.230 1.00 1.24 C ATOM 0 HA PRO A 158 4.903 0.028 -12.209 1.00 0.80 H new ATOM 0 HB2 PRO A 158 5.580 2.157 -10.610 1.00 1.20 H new ATOM 0 HB3 PRO A 158 5.016 2.400 -12.251 1.00 1.20 H new ATOM 0 HG2 PRO A 158 3.453 2.664 -9.650 1.00 1.41 H new ATOM 0 HG3 PRO A 158 3.327 3.642 -11.098 1.00 1.41 H new ATOM 0 HD2 PRO A 158 1.490 1.624 -10.464 1.00 1.24 H new ATOM 0 HD3 PRO A 158 1.770 2.166 -12.107 1.00 1.24 H new ATOM 2219 N ASP A 159 6.036 -0.063 -9.690 1.00 1.09 N ATOM 2220 CA ASP A 159 6.540 -0.736 -8.454 1.00 1.33 C ATOM 2221 C ASP A 159 6.628 -2.249 -8.690 1.00 1.17 C ATOM 2222 O ASP A 159 7.670 -2.769 -9.036 1.00 1.42 O ATOM 2223 CB ASP A 159 5.608 -0.435 -7.273 1.00 1.53 C ATOM 2224 CG ASP A 159 6.329 0.472 -6.275 1.00 2.02 C ATOM 2225 OD1 ASP A 159 6.780 1.529 -6.684 1.00 2.56 O ATOM 2226 OD2 ASP A 159 6.418 0.094 -5.118 1.00 2.42 O ATOM 0 H ASP A 159 6.725 0.518 -10.168 1.00 1.09 H new ATOM 0 HA ASP A 159 7.534 -0.355 -8.218 1.00 1.33 H new ATOM 0 HB2 ASP A 159 4.697 0.048 -7.628 1.00 1.53 H new ATOM 0 HB3 ASP A 159 5.308 -1.363 -6.787 1.00 1.53 H new ATOM 2231 N THR A 160 5.549 -2.960 -8.511 1.00 0.93 N ATOM 2232 CA THR A 160 5.579 -4.433 -8.729 1.00 0.96 C ATOM 2233 C THR A 160 4.549 -4.814 -9.798 1.00 0.94 C ATOM 2234 O THR A 160 4.627 -5.868 -10.397 1.00 1.53 O ATOM 2235 CB THR A 160 5.242 -5.149 -7.420 1.00 1.04 C ATOM 2236 OG1 THR A 160 4.052 -4.597 -6.874 1.00 1.36 O ATOM 2237 CG2 THR A 160 6.392 -4.970 -6.429 1.00 1.21 C ATOM 0 H THR A 160 4.646 -2.583 -8.223 1.00 0.93 H new ATOM 0 HA THR A 160 6.574 -4.730 -9.061 1.00 0.96 H new ATOM 0 HB THR A 160 5.095 -6.212 -7.613 1.00 1.04 H new ATOM 0 HG1 THR A 160 4.198 -4.373 -5.931 1.00 1.36 H new ATOM 0 HG21 THR A 160 6.151 -5.480 -5.496 1.00 1.21 H new ATOM 0 HG22 THR A 160 7.304 -5.394 -6.850 1.00 1.21 H new ATOM 0 HG23 THR A 160 6.542 -3.908 -6.233 1.00 1.21 H new ATOM 2245 N ALA A 161 3.581 -3.968 -10.044 1.00 0.54 N ATOM 2246 CA ALA A 161 2.557 -4.285 -11.066 1.00 0.71 C ATOM 2247 C ALA A 161 1.814 -5.563 -10.669 1.00 0.77 C ATOM 2248 O ALA A 161 1.352 -6.310 -11.509 1.00 1.22 O ATOM 2249 CB ALA A 161 3.232 -4.481 -12.425 1.00 0.96 C ATOM 0 H ALA A 161 3.462 -3.070 -9.575 1.00 0.54 H new ATOM 0 HA ALA A 161 1.846 -3.462 -11.133 1.00 0.71 H new ATOM 0 HB1 ALA A 161 2.477 -4.714 -13.176 1.00 0.96 H new ATOM 0 HB2 ALA A 161 3.754 -3.567 -12.707 1.00 0.96 H new ATOM 0 HB3 ALA A 161 3.946 -5.302 -12.361 1.00 0.96 H new ATOM 2255 N GLU A 162 1.696 -5.821 -9.395 1.00 0.51 N ATOM 2256 CA GLU A 162 0.983 -7.049 -8.946 1.00 0.57 C ATOM 2257 C GLU A 162 0.990 -7.116 -7.416 1.00 0.54 C ATOM 2258 O GLU A 162 -0.028 -7.337 -6.792 1.00 0.66 O ATOM 2259 CB GLU A 162 1.686 -8.283 -9.514 1.00 0.61 C ATOM 2260 CG GLU A 162 0.640 -9.272 -10.033 1.00 0.81 C ATOM 2261 CD GLU A 162 1.285 -10.211 -11.054 1.00 1.08 C ATOM 2262 OE1 GLU A 162 2.060 -11.058 -10.643 1.00 1.47 O ATOM 2263 OE2 GLU A 162 0.993 -10.066 -12.230 1.00 1.81 O ATOM 0 H GLU A 162 2.063 -5.234 -8.646 1.00 0.51 H new ATOM 0 HA GLU A 162 -0.047 -7.021 -9.302 1.00 0.57 H new ATOM 0 HB2 GLU A 162 2.359 -7.992 -10.321 1.00 0.61 H new ATOM 0 HB3 GLU A 162 2.297 -8.754 -8.744 1.00 0.61 H new ATOM 0 HG2 GLU A 162 0.226 -9.848 -9.205 1.00 0.81 H new ATOM 0 HG3 GLU A 162 -0.189 -8.733 -10.492 1.00 0.81 H new ATOM 2270 N TYR A 163 2.129 -6.926 -6.807 1.00 0.45 N ATOM 2271 CA TYR A 163 2.193 -6.979 -5.318 1.00 0.47 C ATOM 2272 C TYR A 163 2.002 -5.573 -4.747 1.00 0.45 C ATOM 2273 O TYR A 163 1.725 -4.632 -5.464 1.00 0.57 O ATOM 2274 CB TYR A 163 3.557 -7.519 -4.878 1.00 0.53 C ATOM 2275 CG TYR A 163 4.063 -8.520 -5.889 1.00 0.49 C ATOM 2276 CD1 TYR A 163 3.222 -9.542 -6.344 1.00 1.21 C ATOM 2277 CD2 TYR A 163 5.375 -8.429 -6.367 1.00 1.27 C ATOM 2278 CE1 TYR A 163 3.693 -10.473 -7.278 1.00 1.21 C ATOM 2279 CE2 TYR A 163 5.847 -9.359 -7.301 1.00 1.28 C ATOM 2280 CZ TYR A 163 5.006 -10.381 -7.756 1.00 0.52 C ATOM 2281 OH TYR A 163 5.471 -11.298 -8.677 1.00 0.58 O ATOM 0 H TYR A 163 3.016 -6.737 -7.274 1.00 0.45 H new ATOM 0 HA TYR A 163 1.405 -7.636 -4.950 1.00 0.47 H new ATOM 0 HB2 TYR A 163 4.268 -6.699 -4.778 1.00 0.53 H new ATOM 0 HB3 TYR A 163 3.473 -7.989 -3.898 1.00 0.53 H new ATOM 0 HD1 TYR A 163 2.210 -9.613 -5.975 1.00 1.21 H new ATOM 0 HD2 TYR A 163 6.024 -7.641 -6.015 1.00 1.27 H new ATOM 0 HE1 TYR A 163 3.044 -11.261 -7.629 1.00 1.21 H new ATOM 0 HE2 TYR A 163 6.859 -9.288 -7.670 1.00 1.28 H new ATOM 0 HH TYR A 163 6.401 -11.090 -8.904 1.00 0.58 H new ATOM 2291 N VAL A 164 2.151 -5.424 -3.459 1.00 0.38 N ATOM 2292 CA VAL A 164 1.982 -4.080 -2.837 1.00 0.37 C ATOM 2293 C VAL A 164 3.258 -3.720 -2.071 1.00 0.38 C ATOM 2294 O VAL A 164 3.847 -4.551 -1.407 1.00 0.49 O ATOM 2295 CB VAL A 164 0.796 -4.107 -1.869 1.00 0.38 C ATOM 2296 CG1 VAL A 164 -0.509 -3.905 -2.645 1.00 0.39 C ATOM 2297 CG2 VAL A 164 0.755 -5.457 -1.151 1.00 0.45 C ATOM 0 H VAL A 164 2.383 -6.176 -2.810 1.00 0.38 H new ATOM 0 HA VAL A 164 1.795 -3.338 -3.613 1.00 0.37 H new ATOM 0 HB VAL A 164 0.910 -3.307 -1.138 1.00 0.38 H new ATOM 0 HG11 VAL A 164 -1.351 -3.925 -1.953 1.00 0.39 H new ATOM 0 HG12 VAL A 164 -0.483 -2.943 -3.157 1.00 0.39 H new ATOM 0 HG13 VAL A 164 -0.624 -4.703 -3.378 1.00 0.39 H new ATOM 0 HG21 VAL A 164 -0.089 -5.477 -0.462 1.00 0.45 H new ATOM 0 HG22 VAL A 164 0.644 -6.256 -1.884 1.00 0.45 H new ATOM 0 HG23 VAL A 164 1.681 -5.602 -0.595 1.00 0.45 H new ATOM 2307 N ALA A 165 3.693 -2.491 -2.153 1.00 0.35 N ATOM 2308 CA ALA A 165 4.932 -2.095 -1.423 1.00 0.37 C ATOM 2309 C ALA A 165 4.710 -0.759 -0.719 1.00 0.35 C ATOM 2310 O ALA A 165 4.238 0.193 -1.309 1.00 0.44 O ATOM 2311 CB ALA A 165 6.093 -1.953 -2.409 1.00 0.43 C ATOM 0 H ALA A 165 3.247 -1.748 -2.691 1.00 0.35 H new ATOM 0 HA ALA A 165 5.170 -2.863 -0.687 1.00 0.37 H new ATOM 0 HB1 ALA A 165 6.995 -1.664 -1.870 1.00 0.43 H new ATOM 0 HB2 ALA A 165 6.261 -2.905 -2.913 1.00 0.43 H new ATOM 0 HB3 ALA A 165 5.851 -1.189 -3.148 1.00 0.43 H new ATOM 2317 N TYR A 166 5.051 -0.676 0.536 1.00 0.33 N ATOM 2318 CA TYR A 166 4.863 0.606 1.270 1.00 0.34 C ATOM 2319 C TYR A 166 5.991 0.781 2.289 1.00 0.38 C ATOM 2320 O TYR A 166 6.110 0.040 3.244 1.00 0.41 O ATOM 2321 CB TYR A 166 3.496 0.615 1.974 1.00 0.35 C ATOM 2322 CG TYR A 166 3.462 -0.416 3.079 1.00 0.37 C ATOM 2323 CD1 TYR A 166 3.549 -1.779 2.775 1.00 1.25 C ATOM 2324 CD2 TYR A 166 3.343 -0.003 4.412 1.00 1.27 C ATOM 2325 CE1 TYR A 166 3.518 -2.728 3.803 1.00 1.28 C ATOM 2326 CE2 TYR A 166 3.312 -0.952 5.440 1.00 1.35 C ATOM 2327 CZ TYR A 166 3.399 -2.315 5.135 1.00 0.63 C ATOM 2328 OH TYR A 166 3.369 -3.252 6.148 1.00 0.79 O ATOM 0 H TYR A 166 5.451 -1.438 1.084 1.00 0.33 H new ATOM 0 HA TYR A 166 4.892 1.435 0.563 1.00 0.34 H new ATOM 0 HB2 TYR A 166 3.299 1.605 2.386 1.00 0.35 H new ATOM 0 HB3 TYR A 166 2.707 0.408 1.251 1.00 0.35 H new ATOM 0 HD1 TYR A 166 3.640 -2.099 1.747 1.00 1.25 H new ATOM 0 HD2 TYR A 166 3.275 1.049 4.647 1.00 1.27 H new ATOM 0 HE1 TYR A 166 3.586 -3.780 3.568 1.00 1.28 H new ATOM 0 HE2 TYR A 166 3.221 -0.633 6.468 1.00 1.35 H new ATOM 0 HH TYR A 166 4.281 -3.552 6.343 1.00 0.79 H new ATOM 2338 N VAL A 167 6.828 1.759 2.095 1.00 0.41 N ATOM 2339 CA VAL A 167 7.939 1.972 3.057 1.00 0.47 C ATOM 2340 C VAL A 167 7.367 2.613 4.323 1.00 0.51 C ATOM 2341 O VAL A 167 6.733 3.653 4.283 1.00 0.53 O ATOM 2342 CB VAL A 167 9.016 2.857 2.415 1.00 0.50 C ATOM 2343 CG1 VAL A 167 9.207 2.428 0.957 1.00 0.44 C ATOM 2344 CG2 VAL A 167 8.593 4.329 2.456 1.00 0.61 C ATOM 0 H VAL A 167 6.791 2.416 1.316 1.00 0.41 H new ATOM 0 HA VAL A 167 8.407 1.024 3.323 1.00 0.47 H new ATOM 0 HB VAL A 167 9.948 2.743 2.969 1.00 0.50 H new ATOM 0 HG11 VAL A 167 9.971 3.051 0.491 1.00 0.44 H new ATOM 0 HG12 VAL A 167 9.520 1.384 0.923 1.00 0.44 H new ATOM 0 HG13 VAL A 167 8.267 2.543 0.418 1.00 0.44 H new ATOM 0 HG21 VAL A 167 9.368 4.943 1.997 1.00 0.61 H new ATOM 0 HG22 VAL A 167 7.659 4.454 1.909 1.00 0.61 H new ATOM 0 HG23 VAL A 167 8.451 4.638 3.492 1.00 0.61 H new ATOM 2354 N ALA A 168 7.570 1.988 5.451 1.00 0.57 N ATOM 2355 CA ALA A 168 7.025 2.549 6.715 1.00 0.66 C ATOM 2356 C ALA A 168 8.150 3.168 7.547 1.00 0.48 C ATOM 2357 O ALA A 168 9.286 3.249 7.120 1.00 0.44 O ATOM 2358 CB ALA A 168 6.358 1.431 7.519 1.00 0.92 C ATOM 0 H ALA A 168 8.089 1.115 5.550 1.00 0.57 H new ATOM 0 HA ALA A 168 6.294 3.321 6.475 1.00 0.66 H new ATOM 0 HB1 ALA A 168 5.957 1.839 8.447 1.00 0.92 H new ATOM 0 HB2 ALA A 168 5.548 0.996 6.934 1.00 0.92 H new ATOM 0 HB3 ALA A 168 7.093 0.660 7.750 1.00 0.92 H new ATOM 2364 N LYS A 169 7.834 3.603 8.737 1.00 0.56 N ATOM 2365 CA LYS A 169 8.864 4.219 9.619 1.00 0.52 C ATOM 2366 C LYS A 169 8.243 4.479 10.992 1.00 0.59 C ATOM 2367 O LYS A 169 7.077 4.804 11.098 1.00 0.59 O ATOM 2368 CB LYS A 169 9.333 5.543 9.013 1.00 0.56 C ATOM 2369 CG LYS A 169 10.662 5.333 8.286 1.00 0.62 C ATOM 2370 CD LYS A 169 11.740 6.206 8.930 1.00 1.02 C ATOM 2371 CE LYS A 169 11.467 7.676 8.609 1.00 1.02 C ATOM 2372 NZ LYS A 169 11.290 8.438 9.877 1.00 1.44 N ATOM 0 H LYS A 169 6.897 3.557 9.138 1.00 0.56 H new ATOM 0 HA LYS A 169 9.717 3.548 9.717 1.00 0.52 H new ATOM 0 HB2 LYS A 169 8.583 5.922 8.319 1.00 0.56 H new ATOM 0 HB3 LYS A 169 9.450 6.292 9.796 1.00 0.56 H new ATOM 0 HG2 LYS A 169 10.953 4.284 8.334 1.00 0.62 H new ATOM 0 HG3 LYS A 169 10.556 5.587 7.231 1.00 0.62 H new ATOM 0 HD2 LYS A 169 11.749 6.054 10.009 1.00 1.02 H new ATOM 0 HD3 LYS A 169 12.724 5.919 8.560 1.00 1.02 H new ATOM 0 HE2 LYS A 169 12.294 8.093 8.034 1.00 1.02 H new ATOM 0 HE3 LYS A 169 10.573 7.764 7.992 1.00 1.02 H new ATOM 0 HZ1 LYS A 169 10.829 9.348 9.674 1.00 1.44 H new ATOM 0 HZ2 LYS A 169 10.698 7.889 10.532 1.00 1.44 H new ATOM 0 HZ3 LYS A 169 12.219 8.610 10.311 1.00 1.44 H new ATOM 2386 N ASP A 170 9.007 4.341 12.044 1.00 0.75 N ATOM 2387 CA ASP A 170 8.447 4.582 13.406 1.00 0.89 C ATOM 2388 C ASP A 170 9.483 4.230 14.487 1.00 1.24 C ATOM 2389 O ASP A 170 9.840 5.079 15.280 1.00 1.77 O ATOM 2390 CB ASP A 170 7.183 3.740 13.608 1.00 1.39 C ATOM 2391 CG ASP A 170 5.986 4.662 13.852 1.00 1.78 C ATOM 2392 OD1 ASP A 170 6.175 5.691 14.480 1.00 2.32 O ATOM 2393 OD2 ASP A 170 4.902 4.324 13.407 1.00 2.36 O ATOM 0 H ASP A 170 9.991 4.073 12.019 1.00 0.75 H new ATOM 0 HA ASP A 170 8.195 5.639 13.494 1.00 0.89 H new ATOM 0 HB2 ASP A 170 7.004 3.119 12.731 1.00 1.39 H new ATOM 0 HB3 ASP A 170 7.314 3.066 14.454 1.00 1.39 H new ATOM 2398 N PRO A 171 9.940 2.994 14.505 1.00 1.63 N ATOM 2399 CA PRO A 171 10.926 2.542 15.495 1.00 2.27 C ATOM 2400 C PRO A 171 12.301 3.150 15.204 1.00 1.78 C ATOM 2401 O PRO A 171 13.094 3.364 16.099 1.00 1.83 O ATOM 2402 CB PRO A 171 10.976 1.023 15.377 1.00 3.10 C ATOM 2403 CG PRO A 171 10.493 0.769 13.930 1.00 3.15 C ATOM 2404 CD PRO A 171 9.532 1.926 13.557 1.00 2.12 C ATOM 0 HA PRO A 171 10.649 2.854 16.502 1.00 2.27 H new ATOM 0 HB2 PRO A 171 11.983 0.639 15.539 1.00 3.10 H new ATOM 0 HB3 PRO A 171 10.329 0.540 16.109 1.00 3.10 H new ATOM 0 HG2 PRO A 171 11.338 0.735 13.243 1.00 3.15 H new ATOM 0 HG3 PRO A 171 9.984 -0.192 13.858 1.00 3.15 H new ATOM 0 HD2 PRO A 171 9.652 2.236 12.519 1.00 2.12 H new ATOM 0 HD3 PRO A 171 8.487 1.645 13.687 1.00 2.12 H new ATOM 2412 N VAL A 172 12.594 3.433 13.965 1.00 1.63 N ATOM 2413 CA VAL A 172 13.919 4.026 13.638 1.00 1.58 C ATOM 2414 C VAL A 172 13.738 5.116 12.584 1.00 1.90 C ATOM 2415 O VAL A 172 12.660 5.316 12.061 1.00 2.71 O ATOM 2416 CB VAL A 172 14.845 2.938 13.092 1.00 1.85 C ATOM 2417 CG1 VAL A 172 15.270 2.008 14.230 1.00 2.15 C ATOM 2418 CG2 VAL A 172 14.107 2.130 12.023 1.00 2.21 C ATOM 0 H VAL A 172 11.976 3.280 13.168 1.00 1.63 H new ATOM 0 HA VAL A 172 14.358 4.457 14.538 1.00 1.58 H new ATOM 0 HB VAL A 172 15.729 3.401 12.653 1.00 1.85 H new ATOM 0 HG11 VAL A 172 15.930 1.233 13.840 1.00 2.15 H new ATOM 0 HG12 VAL A 172 15.796 2.583 14.992 1.00 2.15 H new ATOM 0 HG13 VAL A 172 14.387 1.545 14.670 1.00 2.15 H new ATOM 0 HG21 VAL A 172 14.766 1.354 11.633 1.00 2.21 H new ATOM 0 HG22 VAL A 172 13.223 1.668 12.462 1.00 2.21 H new ATOM 0 HG23 VAL A 172 13.805 2.791 11.211 1.00 2.21 H new ATOM 2428 N ASN A 173 14.786 5.823 12.265 1.00 1.76 N ATOM 2429 CA ASN A 173 14.674 6.897 11.241 1.00 2.41 C ATOM 2430 C ASN A 173 15.145 6.353 9.892 1.00 1.89 C ATOM 2431 O ASN A 173 15.767 7.049 9.114 1.00 2.28 O ATOM 2432 CB ASN A 173 15.548 8.085 11.647 1.00 3.34 C ATOM 2433 CG ASN A 173 15.578 8.200 13.172 1.00 4.16 C ATOM 2434 OD1 ASN A 173 14.556 8.395 13.799 1.00 4.61 O ATOM 2435 ND2 ASN A 173 16.717 8.087 13.800 1.00 4.81 N ATOM 0 H ASN A 173 15.715 5.703 12.669 1.00 1.76 H new ATOM 0 HA ASN A 173 13.637 7.224 11.164 1.00 2.41 H new ATOM 0 HB2 ASN A 173 16.559 7.954 11.262 1.00 3.34 H new ATOM 0 HB3 ASN A 173 15.157 9.004 11.210 1.00 3.34 H new ATOM 0 HD21 ASN A 173 16.748 8.162 14.817 1.00 4.81 H new ATOM 0 HD22 ASN A 173 17.575 7.923 13.274 1.00 4.81 H new ATOM 2442 N GLN A 174 14.855 5.112 9.608 1.00 1.17 N ATOM 2443 CA GLN A 174 15.288 4.525 8.310 1.00 0.84 C ATOM 2444 C GLN A 174 14.073 3.972 7.567 1.00 0.69 C ATOM 2445 O GLN A 174 13.459 3.012 7.989 1.00 0.81 O ATOM 2446 CB GLN A 174 16.283 3.391 8.569 1.00 0.96 C ATOM 2447 CG GLN A 174 17.648 3.981 8.927 1.00 1.50 C ATOM 2448 CD GLN A 174 18.485 2.927 9.653 1.00 1.92 C ATOM 2449 OE1 GLN A 174 18.236 1.744 9.527 1.00 2.28 O ATOM 2450 NE2 GLN A 174 19.475 3.308 10.413 1.00 2.71 N ATOM 0 H GLN A 174 14.337 4.481 10.219 1.00 1.17 H new ATOM 0 HA GLN A 174 15.763 5.297 7.705 1.00 0.84 H new ATOM 0 HB2 GLN A 174 15.925 2.757 9.380 1.00 0.96 H new ATOM 0 HB3 GLN A 174 16.369 2.759 7.685 1.00 0.96 H new ATOM 0 HG2 GLN A 174 18.162 4.310 8.024 1.00 1.50 H new ATOM 0 HG3 GLN A 174 17.522 4.859 9.560 1.00 1.50 H new ATOM 0 HE21 GLN A 174 19.684 4.301 10.519 1.00 2.71 H new ATOM 0 HE22 GLN A 174 20.040 2.613 10.901 1.00 2.71 H new ATOM 2459 N ARG A 175 13.721 4.569 6.462 1.00 0.63 N ATOM 2460 CA ARG A 175 12.545 4.076 5.691 1.00 0.60 C ATOM 2461 C ARG A 175 12.731 2.588 5.382 1.00 0.54 C ATOM 2462 O ARG A 175 13.760 2.171 4.880 1.00 0.65 O ATOM 2463 CB ARG A 175 12.428 4.857 4.380 1.00 0.72 C ATOM 2464 CG ARG A 175 13.805 4.956 3.716 1.00 1.43 C ATOM 2465 CD ARG A 175 14.357 6.376 3.875 1.00 1.70 C ATOM 2466 NE ARG A 175 15.693 6.319 4.533 1.00 2.51 N ATOM 2467 CZ ARG A 175 16.353 7.420 4.771 1.00 3.18 C ATOM 2468 NH1 ARG A 175 15.716 8.493 5.155 1.00 3.65 N ATOM 2469 NH2 ARG A 175 17.649 7.448 4.626 1.00 3.88 N ATOM 0 H ARG A 175 14.197 5.377 6.060 1.00 0.63 H new ATOM 0 HA ARG A 175 11.638 4.218 6.279 1.00 0.60 H new ATOM 0 HB2 ARG A 175 11.725 4.361 3.711 1.00 0.72 H new ATOM 0 HB3 ARG A 175 12.034 5.855 4.573 1.00 0.72 H new ATOM 0 HG2 ARG A 175 14.489 4.237 4.167 1.00 1.43 H new ATOM 0 HG3 ARG A 175 13.728 4.702 2.659 1.00 1.43 H new ATOM 0 HD2 ARG A 175 14.440 6.857 2.900 1.00 1.70 H new ATOM 0 HD3 ARG A 175 13.672 6.979 4.471 1.00 1.70 H new ATOM 0 HE ARG A 175 16.092 5.419 4.798 1.00 2.51 H new ATOM 0 HH11 ARG A 175 14.703 8.471 5.269 1.00 3.65 H new ATOM 0 HH12 ARG A 175 16.232 9.353 5.341 1.00 3.65 H new ATOM 0 HH21 ARG A 175 18.147 6.610 4.327 1.00 3.88 H new ATOM 0 HH22 ARG A 175 18.165 8.308 4.812 1.00 3.88 H new ATOM 2483 N ALA A 176 11.746 1.783 5.678 1.00 0.49 N ATOM 2484 CA ALA A 176 11.868 0.323 5.401 1.00 0.55 C ATOM 2485 C ALA A 176 10.819 -0.089 4.365 1.00 0.72 C ATOM 2486 O ALA A 176 9.650 -0.217 4.670 1.00 0.81 O ATOM 2487 CB ALA A 176 11.641 -0.463 6.695 1.00 0.63 C ATOM 0 H ALA A 176 10.863 2.073 6.099 1.00 0.49 H new ATOM 0 HA ALA A 176 12.865 0.109 5.015 1.00 0.55 H new ATOM 0 HB1 ALA A 176 11.730 -1.530 6.493 1.00 0.63 H new ATOM 0 HB2 ALA A 176 12.387 -0.170 7.434 1.00 0.63 H new ATOM 0 HB3 ALA A 176 10.644 -0.249 7.081 1.00 0.63 H new ATOM 2493 N CYS A 177 11.228 -0.299 3.143 1.00 0.85 N ATOM 2494 CA CYS A 177 10.256 -0.704 2.090 1.00 1.07 C ATOM 2495 C CYS A 177 9.641 -2.057 2.454 1.00 0.44 C ATOM 2496 O CYS A 177 10.318 -3.066 2.500 1.00 0.53 O ATOM 2497 CB CYS A 177 10.980 -0.816 0.746 1.00 1.80 C ATOM 2498 SG CYS A 177 10.589 -2.409 -0.018 1.00 2.73 S ATOM 0 H CYS A 177 12.194 -0.207 2.829 1.00 0.85 H new ATOM 0 HA CYS A 177 9.466 0.044 2.017 1.00 1.07 H new ATOM 0 HB2 CYS A 177 10.677 -0.001 0.089 1.00 1.80 H new ATOM 0 HB3 CYS A 177 12.056 -0.725 0.892 1.00 1.80 H new ATOM 0 HG CYS A 177 10.512 -3.324 0.902 1.00 2.73 H new ATOM 2504 N HIS A 178 8.361 -2.087 2.713 1.00 0.42 N ATOM 2505 CA HIS A 178 7.701 -3.374 3.073 1.00 1.08 C ATOM 2506 C HIS A 178 7.197 -4.059 1.801 1.00 0.82 C ATOM 2507 O HIS A 178 6.442 -3.488 1.038 1.00 0.83 O ATOM 2508 CB HIS A 178 6.515 -3.101 4.000 1.00 1.87 C ATOM 2509 CG HIS A 178 6.962 -3.179 5.434 1.00 2.61 C ATOM 2510 ND1 HIS A 178 6.229 -3.852 6.399 1.00 3.40 N ATOM 2511 CD2 HIS A 178 8.061 -2.674 6.082 1.00 3.09 C ATOM 2512 CE1 HIS A 178 6.890 -3.735 7.565 1.00 4.02 C ATOM 2513 NE2 HIS A 178 8.014 -3.025 7.428 1.00 3.85 N ATOM 0 H HIS A 178 7.744 -1.275 2.691 1.00 0.42 H new ATOM 0 HA HIS A 178 8.419 -4.019 3.580 1.00 1.08 H new ATOM 0 HB2 HIS A 178 6.098 -2.115 3.792 1.00 1.87 H new ATOM 0 HB3 HIS A 178 5.723 -3.827 3.816 1.00 1.87 H new ATOM 0 HD2 HIS A 178 8.844 -2.092 5.618 1.00 3.09 H new ATOM 0 HE1 HIS A 178 6.553 -4.163 8.498 1.00 4.02 H new ATOM 0 HE2 HIS A 178 8.691 -2.791 8.154 1.00 3.85 H new ATOM 2521 N ILE A 179 7.608 -5.278 1.568 1.00 0.69 N ATOM 2522 CA ILE A 179 7.152 -6.001 0.345 1.00 0.53 C ATOM 2523 C ILE A 179 6.177 -7.109 0.741 1.00 0.55 C ATOM 2524 O ILE A 179 6.518 -8.017 1.471 1.00 0.69 O ATOM 2525 CB ILE A 179 8.355 -6.626 -0.363 1.00 0.54 C ATOM 2526 CG1 ILE A 179 8.950 -5.616 -1.343 1.00 0.51 C ATOM 2527 CG2 ILE A 179 7.906 -7.873 -1.128 1.00 0.79 C ATOM 2528 CD1 ILE A 179 10.293 -5.125 -0.806 1.00 0.54 C ATOM 0 H ILE A 179 8.240 -5.804 2.172 1.00 0.69 H new ATOM 0 HA ILE A 179 6.659 -5.296 -0.324 1.00 0.53 H new ATOM 0 HB ILE A 179 9.107 -6.903 0.376 1.00 0.54 H new ATOM 0 HG12 ILE A 179 9.083 -6.076 -2.322 1.00 0.51 H new ATOM 0 HG13 ILE A 179 8.269 -4.776 -1.476 1.00 0.51 H new ATOM 0 HG21 ILE A 179 8.763 -8.319 -1.633 1.00 0.79 H new ATOM 0 HG22 ILE A 179 7.480 -8.594 -0.430 1.00 0.79 H new ATOM 0 HG23 ILE A 179 7.154 -7.596 -1.867 1.00 0.79 H new ATOM 0 HD11 ILE A 179 10.722 -4.404 -1.502 1.00 0.54 H new ATOM 0 HD12 ILE A 179 10.145 -4.650 0.164 1.00 0.54 H new ATOM 0 HD13 ILE A 179 10.972 -5.971 -0.696 1.00 0.54 H new ATOM 2540 N LEU A 180 4.967 -7.043 0.263 1.00 0.52 N ATOM 2541 CA LEU A 180 3.974 -8.097 0.614 1.00 0.58 C ATOM 2542 C LEU A 180 3.284 -8.593 -0.658 1.00 0.50 C ATOM 2543 O LEU A 180 3.130 -7.865 -1.620 1.00 0.45 O ATOM 2544 CB LEU A 180 2.926 -7.529 1.575 1.00 0.74 C ATOM 2545 CG LEU A 180 3.495 -6.314 2.310 1.00 0.72 C ATOM 2546 CD1 LEU A 180 3.313 -5.063 1.450 1.00 1.25 C ATOM 2547 CD2 LEU A 180 2.752 -6.131 3.636 1.00 1.44 C ATOM 0 H LEU A 180 4.622 -6.307 -0.354 1.00 0.52 H new ATOM 0 HA LEU A 180 4.490 -8.927 1.097 1.00 0.58 H new ATOM 0 HB2 LEU A 180 2.031 -7.244 1.023 1.00 0.74 H new ATOM 0 HB3 LEU A 180 2.628 -8.292 2.294 1.00 0.74 H new ATOM 0 HG LEU A 180 4.557 -6.470 2.502 1.00 0.72 H new ATOM 0 HD11 LEU A 180 3.719 -4.198 1.975 1.00 1.25 H new ATOM 0 HD12 LEU A 180 3.838 -5.192 0.504 1.00 1.25 H new ATOM 0 HD13 LEU A 180 2.252 -4.905 1.257 1.00 1.25 H new ATOM 0 HD21 LEU A 180 3.155 -5.266 4.163 1.00 1.44 H new ATOM 0 HD22 LEU A 180 1.691 -5.975 3.440 1.00 1.44 H new ATOM 0 HD23 LEU A 180 2.880 -7.022 4.251 1.00 1.44 H new ATOM 2559 N GLU A 181 2.868 -9.831 -0.670 1.00 0.56 N ATOM 2560 CA GLU A 181 2.191 -10.382 -1.877 1.00 0.57 C ATOM 2561 C GLU A 181 1.014 -11.262 -1.447 1.00 0.78 C ATOM 2562 O GLU A 181 0.745 -11.426 -0.275 1.00 0.94 O ATOM 2563 CB GLU A 181 3.191 -11.218 -2.675 1.00 0.76 C ATOM 2564 CG GLU A 181 4.503 -11.319 -1.893 1.00 1.43 C ATOM 2565 CD GLU A 181 5.447 -12.289 -2.603 1.00 1.89 C ATOM 2566 OE1 GLU A 181 5.246 -13.485 -2.469 1.00 2.52 O ATOM 2567 OE2 GLU A 181 6.355 -11.820 -3.269 1.00 2.36 O ATOM 0 H GLU A 181 2.969 -10.485 0.106 1.00 0.56 H new ATOM 0 HA GLU A 181 1.821 -9.564 -2.496 1.00 0.57 H new ATOM 0 HB2 GLU A 181 2.786 -12.213 -2.858 1.00 0.76 H new ATOM 0 HB3 GLU A 181 3.369 -10.762 -3.649 1.00 0.76 H new ATOM 0 HG2 GLU A 181 4.967 -10.336 -1.813 1.00 1.43 H new ATOM 0 HG3 GLU A 181 4.308 -11.663 -0.877 1.00 1.43 H new ATOM 2574 N CYS A 182 0.312 -11.828 -2.393 1.00 0.87 N ATOM 2575 CA CYS A 182 -0.853 -12.702 -2.060 1.00 1.17 C ATOM 2576 C CYS A 182 -1.798 -11.997 -1.075 1.00 0.87 C ATOM 2577 O CYS A 182 -2.066 -12.516 -0.011 1.00 0.78 O ATOM 2578 CB CYS A 182 -0.346 -14.001 -1.429 1.00 1.56 C ATOM 2579 SG CYS A 182 -1.542 -15.325 -1.731 1.00 2.49 S ATOM 0 H CYS A 182 0.497 -11.722 -3.390 1.00 0.87 H new ATOM 0 HA CYS A 182 -1.401 -12.918 -2.977 1.00 1.17 H new ATOM 0 HB2 CYS A 182 0.623 -14.269 -1.850 1.00 1.56 H new ATOM 0 HB3 CYS A 182 -0.201 -13.865 -0.357 1.00 1.56 H new ATOM 0 HG CYS A 182 -2.674 -15.025 -1.166 1.00 2.49 H new ATOM 2585 N PRO A 183 -2.280 -10.837 -1.458 1.00 0.78 N ATOM 2586 CA PRO A 183 -3.196 -10.042 -0.628 1.00 0.57 C ATOM 2587 C PRO A 183 -4.622 -10.608 -0.720 1.00 0.43 C ATOM 2588 O PRO A 183 -5.398 -10.511 0.218 1.00 0.36 O ATOM 2589 CB PRO A 183 -3.144 -8.639 -1.214 1.00 0.73 C ATOM 2590 CG PRO A 183 -2.821 -8.907 -2.703 1.00 0.91 C ATOM 2591 CD PRO A 183 -1.961 -10.194 -2.755 1.00 0.99 C ATOM 0 HA PRO A 183 -2.914 -10.056 0.425 1.00 0.57 H new ATOM 0 HB2 PRO A 183 -4.091 -8.114 -1.093 1.00 0.73 H new ATOM 0 HB3 PRO A 183 -2.378 -8.028 -0.736 1.00 0.73 H new ATOM 0 HG2 PRO A 183 -3.737 -9.032 -3.280 1.00 0.91 H new ATOM 0 HG3 PRO A 183 -2.282 -8.065 -3.138 1.00 0.91 H new ATOM 0 HD2 PRO A 183 -2.228 -10.828 -3.600 1.00 0.99 H new ATOM 0 HD3 PRO A 183 -0.898 -9.970 -2.848 1.00 0.99 H new ATOM 2599 N GLU A 184 -4.958 -11.196 -1.848 1.00 0.57 N ATOM 2600 CA GLU A 184 -6.322 -11.787 -2.054 1.00 0.50 C ATOM 2601 C GLU A 184 -7.348 -10.683 -2.340 1.00 0.49 C ATOM 2602 O GLU A 184 -7.978 -10.159 -1.443 1.00 0.77 O ATOM 2603 CB GLU A 184 -6.751 -12.580 -0.814 1.00 0.72 C ATOM 2604 CG GLU A 184 -7.820 -13.603 -1.204 1.00 0.91 C ATOM 2605 CD GLU A 184 -7.825 -14.747 -0.189 1.00 1.56 C ATOM 2606 OE1 GLU A 184 -8.466 -14.598 0.838 1.00 2.28 O ATOM 2607 OE2 GLU A 184 -7.188 -15.752 -0.456 1.00 2.11 O ATOM 0 H GLU A 184 -4.332 -11.292 -2.648 1.00 0.57 H new ATOM 0 HA GLU A 184 -6.277 -12.459 -2.911 1.00 0.50 H new ATOM 0 HB2 GLU A 184 -5.890 -13.087 -0.378 1.00 0.72 H new ATOM 0 HB3 GLU A 184 -7.141 -11.903 -0.054 1.00 0.72 H new ATOM 0 HG2 GLU A 184 -8.800 -13.127 -1.236 1.00 0.91 H new ATOM 0 HG3 GLU A 184 -7.621 -13.990 -2.203 1.00 0.91 H new ATOM 2614 N GLY A 185 -7.524 -10.333 -3.590 1.00 0.49 N ATOM 2615 CA GLY A 185 -8.512 -9.268 -3.946 1.00 0.70 C ATOM 2616 C GLY A 185 -8.067 -7.931 -3.352 1.00 0.69 C ATOM 2617 O GLY A 185 -8.631 -7.452 -2.389 1.00 1.19 O ATOM 0 H GLY A 185 -7.025 -10.740 -4.381 1.00 0.49 H new ATOM 0 HA2 GLY A 185 -8.597 -9.185 -5.030 1.00 0.70 H new ATOM 0 HA3 GLY A 185 -9.499 -9.534 -3.568 1.00 0.70 H new ATOM 2621 N LEU A 186 -7.055 -7.328 -3.914 1.00 0.37 N ATOM 2622 CA LEU A 186 -6.570 -6.032 -3.376 1.00 0.54 C ATOM 2623 C LEU A 186 -6.021 -5.153 -4.515 1.00 0.45 C ATOM 2624 O LEU A 186 -6.770 -4.434 -5.140 1.00 0.42 O ATOM 2625 CB LEU A 186 -5.488 -6.335 -2.342 1.00 0.75 C ATOM 2626 CG LEU A 186 -6.151 -6.496 -0.977 1.00 1.01 C ATOM 2627 CD1 LEU A 186 -6.507 -7.964 -0.747 1.00 1.73 C ATOM 2628 CD2 LEU A 186 -5.196 -6.024 0.123 1.00 1.50 C ATOM 0 H LEU A 186 -6.544 -7.680 -4.724 1.00 0.37 H new ATOM 0 HA LEU A 186 -7.385 -5.480 -2.907 1.00 0.54 H new ATOM 0 HB2 LEU A 186 -4.951 -7.245 -2.612 1.00 0.75 H new ATOM 0 HB3 LEU A 186 -4.755 -5.529 -2.314 1.00 0.75 H new ATOM 0 HG LEU A 186 -7.059 -5.894 -0.949 1.00 1.01 H new ATOM 0 HD11 LEU A 186 -6.980 -8.075 0.229 1.00 1.73 H new ATOM 0 HD12 LEU A 186 -7.195 -8.298 -1.524 1.00 1.73 H new ATOM 0 HD13 LEU A 186 -5.600 -8.568 -0.781 1.00 1.73 H new ATOM 0 HD21 LEU A 186 -5.675 -6.141 1.095 1.00 1.50 H new ATOM 0 HD22 LEU A 186 -4.284 -6.620 0.093 1.00 1.50 H new ATOM 0 HD23 LEU A 186 -4.949 -4.974 -0.036 1.00 1.50 H new ATOM 2640 N ALA A 187 -4.730 -5.213 -4.780 1.00 0.45 N ATOM 2641 CA ALA A 187 -4.098 -4.398 -5.875 1.00 0.41 C ATOM 2642 C ALA A 187 -4.708 -2.984 -5.995 1.00 0.40 C ATOM 2643 O ALA A 187 -4.260 -2.052 -5.352 1.00 0.42 O ATOM 2644 CB ALA A 187 -4.242 -5.146 -7.203 1.00 0.40 C ATOM 0 H ALA A 187 -4.075 -5.807 -4.271 1.00 0.45 H new ATOM 0 HA ALA A 187 -3.046 -4.265 -5.624 1.00 0.41 H new ATOM 0 HB1 ALA A 187 -3.786 -4.561 -8.002 1.00 0.40 H new ATOM 0 HB2 ALA A 187 -3.744 -6.113 -7.132 1.00 0.40 H new ATOM 0 HB3 ALA A 187 -5.299 -5.298 -7.422 1.00 0.40 H new ATOM 2650 N GLN A 188 -5.717 -2.806 -6.813 1.00 0.40 N ATOM 2651 CA GLN A 188 -6.322 -1.451 -6.963 1.00 0.40 C ATOM 2652 C GLN A 188 -7.200 -1.121 -5.756 1.00 0.38 C ATOM 2653 O GLN A 188 -7.087 -0.064 -5.173 1.00 0.37 O ATOM 2654 CB GLN A 188 -7.172 -1.409 -8.232 1.00 0.46 C ATOM 2655 CG GLN A 188 -6.268 -1.556 -9.457 1.00 1.09 C ATOM 2656 CD GLN A 188 -7.098 -1.371 -10.728 1.00 1.60 C ATOM 2657 OE1 GLN A 188 -7.824 -0.405 -10.859 1.00 2.19 O ATOM 2658 NE2 GLN A 188 -7.022 -2.263 -11.678 1.00 2.03 N ATOM 0 H GLN A 188 -6.144 -3.539 -7.380 1.00 0.40 H new ATOM 0 HA GLN A 188 -5.520 -0.716 -7.029 1.00 0.40 H new ATOM 0 HB2 GLN A 188 -7.911 -2.210 -8.214 1.00 0.46 H new ATOM 0 HB3 GLN A 188 -7.722 -0.469 -8.283 1.00 0.46 H new ATOM 0 HG2 GLN A 188 -5.467 -0.817 -9.422 1.00 1.09 H new ATOM 0 HG3 GLN A 188 -5.796 -2.538 -9.458 1.00 1.09 H new ATOM 0 HE21 GLN A 188 -6.413 -3.074 -11.569 1.00 2.03 H new ATOM 0 HE22 GLN A 188 -7.572 -2.149 -12.530 1.00 2.03 H new ATOM 2667 N ASP A 189 -8.078 -2.007 -5.377 1.00 0.40 N ATOM 2668 CA ASP A 189 -8.955 -1.720 -4.209 1.00 0.40 C ATOM 2669 C ASP A 189 -8.090 -1.472 -2.967 1.00 0.35 C ATOM 2670 O ASP A 189 -8.333 -0.553 -2.203 1.00 0.36 O ATOM 2671 CB ASP A 189 -9.888 -2.908 -3.968 1.00 0.44 C ATOM 2672 CG ASP A 189 -11.273 -2.593 -4.537 1.00 0.94 C ATOM 2673 OD1 ASP A 189 -11.365 -2.384 -5.735 1.00 1.58 O ATOM 2674 OD2 ASP A 189 -12.217 -2.566 -3.764 1.00 1.58 O ATOM 0 H ASP A 189 -8.226 -2.912 -5.823 1.00 0.40 H new ATOM 0 HA ASP A 189 -9.553 -0.831 -4.410 1.00 0.40 H new ATOM 0 HB2 ASP A 189 -9.484 -3.803 -4.441 1.00 0.44 H new ATOM 0 HB3 ASP A 189 -9.960 -3.116 -2.901 1.00 0.44 H new ATOM 2679 N VAL A 190 -7.078 -2.274 -2.749 1.00 0.33 N ATOM 2680 CA VAL A 190 -6.220 -2.051 -1.546 1.00 0.30 C ATOM 2681 C VAL A 190 -5.549 -0.686 -1.644 1.00 0.29 C ATOM 2682 O VAL A 190 -5.445 0.029 -0.673 1.00 0.27 O ATOM 2683 CB VAL A 190 -5.151 -3.133 -1.435 1.00 0.29 C ATOM 2684 CG1 VAL A 190 -4.255 -3.106 -2.666 1.00 0.36 C ATOM 2685 CG2 VAL A 190 -4.302 -2.884 -0.188 1.00 0.45 C ATOM 0 H VAL A 190 -6.812 -3.061 -3.341 1.00 0.33 H new ATOM 0 HA VAL A 190 -6.852 -2.092 -0.659 1.00 0.30 H new ATOM 0 HB VAL A 190 -5.635 -4.107 -1.363 1.00 0.29 H new ATOM 0 HG11 VAL A 190 -3.494 -3.882 -2.579 1.00 0.36 H new ATOM 0 HG12 VAL A 190 -4.856 -3.285 -3.557 1.00 0.36 H new ATOM 0 HG13 VAL A 190 -3.773 -2.132 -2.744 1.00 0.36 H new ATOM 0 HG21 VAL A 190 -3.538 -3.657 -0.108 1.00 0.45 H new ATOM 0 HG22 VAL A 190 -3.824 -1.907 -0.262 1.00 0.45 H new ATOM 0 HG23 VAL A 190 -4.938 -2.910 0.697 1.00 0.45 H new ATOM 2695 N ILE A 191 -5.091 -0.310 -2.806 1.00 0.32 N ATOM 2696 CA ILE A 191 -4.435 1.019 -2.935 1.00 0.33 C ATOM 2697 C ILE A 191 -5.430 2.103 -2.504 1.00 0.33 C ATOM 2698 O ILE A 191 -5.070 3.091 -1.890 1.00 0.33 O ATOM 2699 CB ILE A 191 -4.018 1.238 -4.393 1.00 0.37 C ATOM 2700 CG1 ILE A 191 -2.773 0.398 -4.697 1.00 0.45 C ATOM 2701 CG2 ILE A 191 -3.707 2.716 -4.632 1.00 0.39 C ATOM 2702 CD1 ILE A 191 -1.547 1.028 -4.029 1.00 0.54 C ATOM 0 H ILE A 191 -5.142 -0.860 -3.663 1.00 0.32 H new ATOM 0 HA ILE A 191 -3.549 1.066 -2.302 1.00 0.33 H new ATOM 0 HB ILE A 191 -4.835 0.936 -5.048 1.00 0.37 H new ATOM 0 HG12 ILE A 191 -2.913 -0.621 -4.335 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -2.620 0.335 -5.774 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -3.411 2.862 -5.671 1.00 0.39 H new ATOM 0 HG22 ILE A 191 -4.594 3.313 -4.419 1.00 0.39 H new ATOM 0 HG23 ILE A 191 -2.894 3.027 -3.976 1.00 0.39 H new ATOM 0 HD11 ILE A 191 -0.664 0.427 -4.248 1.00 0.54 H new ATOM 0 HD12 ILE A 191 -1.403 2.038 -4.412 1.00 0.54 H new ATOM 0 HD13 ILE A 191 -1.700 1.068 -2.951 1.00 0.54 H new ATOM 2714 N SER A 192 -6.684 1.919 -2.821 1.00 0.37 N ATOM 2715 CA SER A 192 -7.714 2.924 -2.438 1.00 0.40 C ATOM 2716 C SER A 192 -7.894 2.931 -0.918 1.00 0.39 C ATOM 2717 O SER A 192 -8.220 3.941 -0.332 1.00 0.43 O ATOM 2718 CB SER A 192 -9.045 2.569 -3.105 1.00 0.44 C ATOM 2719 OG SER A 192 -10.001 3.580 -2.812 1.00 1.14 O ATOM 0 H SER A 192 -7.039 1.111 -3.332 1.00 0.37 H new ATOM 0 HA SER A 192 -7.390 3.912 -2.766 1.00 0.40 H new ATOM 0 HB2 SER A 192 -8.912 2.479 -4.183 1.00 0.44 H new ATOM 0 HB3 SER A 192 -9.399 1.603 -2.746 1.00 0.44 H new ATOM 0 HG SER A 192 -10.854 3.357 -3.239 1.00 1.14 H new ATOM 2725 N THR A 193 -7.693 1.813 -0.274 1.00 0.38 N ATOM 2726 CA THR A 193 -7.863 1.777 1.216 1.00 0.39 C ATOM 2727 C THR A 193 -6.719 2.525 1.898 1.00 0.35 C ATOM 2728 O THR A 193 -6.936 3.476 2.623 1.00 0.41 O ATOM 2729 CB THR A 193 -7.870 0.336 1.737 1.00 0.41 C ATOM 2730 OG1 THR A 193 -7.722 -0.578 0.664 1.00 0.77 O ATOM 2731 CG2 THR A 193 -9.189 0.077 2.452 1.00 0.69 C ATOM 0 H THR A 193 -7.421 0.929 -0.705 1.00 0.38 H new ATOM 0 HA THR A 193 -8.817 2.252 1.446 1.00 0.39 H new ATOM 0 HB THR A 193 -7.037 0.198 2.427 1.00 0.41 H new ATOM 0 HG1 THR A 193 -7.932 -1.483 0.974 1.00 0.77 H new ATOM 0 HG21 THR A 193 -9.205 -0.946 2.827 1.00 0.69 H new ATOM 0 HG22 THR A 193 -9.293 0.771 3.286 1.00 0.69 H new ATOM 0 HG23 THR A 193 -10.015 0.221 1.755 1.00 0.69 H new ATOM 2739 N ILE A 194 -5.505 2.094 1.681 1.00 0.33 N ATOM 2740 CA ILE A 194 -4.342 2.769 2.319 1.00 0.32 C ATOM 2741 C ILE A 194 -4.410 4.273 2.050 1.00 0.33 C ATOM 2742 O ILE A 194 -4.095 5.071 2.903 1.00 0.36 O ATOM 2743 CB ILE A 194 -3.044 2.189 1.757 1.00 0.32 C ATOM 2744 CG1 ILE A 194 -2.985 0.694 2.079 1.00 0.37 C ATOM 2745 CG2 ILE A 194 -1.849 2.891 2.404 1.00 0.34 C ATOM 2746 CD1 ILE A 194 -2.254 -0.046 0.960 1.00 0.36 C ATOM 0 H ILE A 194 -5.270 1.300 1.086 1.00 0.33 H new ATOM 0 HA ILE A 194 -4.368 2.602 3.396 1.00 0.32 H new ATOM 0 HB ILE A 194 -3.012 2.338 0.678 1.00 0.32 H new ATOM 0 HG12 ILE A 194 -2.472 0.537 3.028 1.00 0.37 H new ATOM 0 HG13 ILE A 194 -3.994 0.297 2.192 1.00 0.37 H new ATOM 0 HG21 ILE A 194 -0.923 2.477 2.003 1.00 0.34 H new ATOM 0 HG22 ILE A 194 -1.893 3.958 2.188 1.00 0.34 H new ATOM 0 HG23 ILE A 194 -1.878 2.738 3.483 1.00 0.34 H new ATOM 0 HD11 ILE A 194 -2.214 -1.110 1.193 1.00 0.36 H new ATOM 0 HD12 ILE A 194 -2.785 0.100 0.020 1.00 0.36 H new ATOM 0 HD13 ILE A 194 -1.240 0.344 0.868 1.00 0.36 H new ATOM 2758 N GLY A 195 -4.828 4.672 0.877 1.00 0.34 N ATOM 2759 CA GLY A 195 -4.917 6.134 0.587 1.00 0.37 C ATOM 2760 C GLY A 195 -6.021 6.741 1.457 1.00 0.37 C ATOM 2761 O GLY A 195 -5.894 7.834 1.982 1.00 0.39 O ATOM 0 H GLY A 195 -5.109 4.056 0.114 1.00 0.34 H new ATOM 0 HA2 GLY A 195 -3.963 6.619 0.794 1.00 0.37 H new ATOM 0 HA3 GLY A 195 -5.135 6.297 -0.468 1.00 0.37 H new ATOM 2765 N GLN A 196 -7.105 6.033 1.616 1.00 0.37 N ATOM 2766 CA GLN A 196 -8.221 6.551 2.450 1.00 0.38 C ATOM 2767 C GLN A 196 -7.708 6.805 3.866 1.00 0.37 C ATOM 2768 O GLN A 196 -7.555 7.934 4.278 1.00 0.43 O ATOM 2769 CB GLN A 196 -9.352 5.522 2.491 1.00 0.41 C ATOM 2770 CG GLN A 196 -10.049 5.477 1.130 1.00 0.91 C ATOM 2771 CD GLN A 196 -11.224 6.457 1.125 1.00 1.05 C ATOM 2772 OE1 GLN A 196 -11.866 6.659 2.137 1.00 1.61 O ATOM 2773 NE2 GLN A 196 -11.534 7.077 0.020 1.00 1.67 N ATOM 0 H GLN A 196 -7.265 5.115 1.202 1.00 0.37 H new ATOM 0 HA GLN A 196 -8.598 7.480 2.023 1.00 0.38 H new ATOM 0 HB2 GLN A 196 -8.954 4.538 2.741 1.00 0.41 H new ATOM 0 HB3 GLN A 196 -10.068 5.784 3.270 1.00 0.41 H new ATOM 0 HG2 GLN A 196 -9.344 5.734 0.340 1.00 0.91 H new ATOM 0 HG3 GLN A 196 -10.403 4.467 0.924 1.00 0.91 H new ATOM 0 HE21 GLN A 196 -10.995 6.907 -0.829 1.00 1.67 H new ATOM 0 HE22 GLN A 196 -12.316 7.732 0.005 1.00 1.67 H new ATOM 2782 N ALA A 197 -7.439 5.763 4.614 1.00 0.31 N ATOM 2783 CA ALA A 197 -6.933 5.951 6.006 1.00 0.30 C ATOM 2784 C ALA A 197 -5.721 6.899 6.010 1.00 0.31 C ATOM 2785 O ALA A 197 -5.427 7.538 7.001 1.00 0.33 O ATOM 2786 CB ALA A 197 -6.525 4.593 6.581 1.00 0.29 C ATOM 0 H ALA A 197 -7.548 4.792 4.320 1.00 0.31 H new ATOM 0 HA ALA A 197 -7.722 6.389 6.617 1.00 0.30 H new ATOM 0 HB1 ALA A 197 -6.155 4.725 7.598 1.00 0.29 H new ATOM 0 HB2 ALA A 197 -7.389 3.928 6.593 1.00 0.29 H new ATOM 0 HB3 ALA A 197 -5.740 4.157 5.963 1.00 0.29 H new ATOM 2792 N PHE A 198 -5.019 6.996 4.911 1.00 0.33 N ATOM 2793 CA PHE A 198 -3.830 7.900 4.844 1.00 0.35 C ATOM 2794 C PHE A 198 -4.259 9.348 5.101 1.00 0.38 C ATOM 2795 O PHE A 198 -3.652 10.054 5.881 1.00 0.40 O ATOM 2796 CB PHE A 198 -3.213 7.817 3.443 1.00 0.35 C ATOM 2797 CG PHE A 198 -1.892 7.083 3.481 1.00 0.34 C ATOM 2798 CD1 PHE A 198 -1.788 5.843 4.123 1.00 1.31 C ATOM 2799 CD2 PHE A 198 -0.772 7.640 2.853 1.00 1.21 C ATOM 2800 CE1 PHE A 198 -0.564 5.162 4.138 1.00 1.33 C ATOM 2801 CE2 PHE A 198 0.452 6.959 2.865 1.00 1.21 C ATOM 2802 CZ PHE A 198 0.555 5.720 3.508 1.00 0.42 C ATOM 0 H PHE A 198 -5.219 6.485 4.051 1.00 0.33 H new ATOM 0 HA PHE A 198 -3.106 7.592 5.598 1.00 0.35 H new ATOM 0 HB2 PHE A 198 -3.899 7.305 2.768 1.00 0.35 H new ATOM 0 HB3 PHE A 198 -3.065 8.821 3.046 1.00 0.35 H new ATOM 0 HD1 PHE A 198 -2.652 5.411 4.607 1.00 1.31 H new ATOM 0 HD2 PHE A 198 -0.852 8.597 2.358 1.00 1.21 H new ATOM 0 HE1 PHE A 198 -0.483 4.207 4.635 1.00 1.33 H new ATOM 0 HE2 PHE A 198 1.315 7.389 2.379 1.00 1.21 H new ATOM 0 HZ PHE A 198 1.498 5.194 3.518 1.00 0.42 H new ATOM 2812 N GLU A 199 -5.293 9.801 4.441 1.00 0.45 N ATOM 2813 CA GLU A 199 -5.744 11.213 4.642 1.00 0.50 C ATOM 2814 C GLU A 199 -6.799 11.309 5.754 1.00 0.48 C ATOM 2815 O GLU A 199 -7.679 12.145 5.705 1.00 0.57 O ATOM 2816 CB GLU A 199 -6.341 11.738 3.335 1.00 0.65 C ATOM 2817 CG GLU A 199 -5.577 12.987 2.890 1.00 1.23 C ATOM 2818 CD GLU A 199 -6.028 13.390 1.485 1.00 1.70 C ATOM 2819 OE1 GLU A 199 -7.020 12.849 1.025 1.00 2.40 O ATOM 2820 OE2 GLU A 199 -5.374 14.233 0.893 1.00 2.12 O ATOM 0 H GLU A 199 -5.843 9.259 3.775 1.00 0.45 H new ATOM 0 HA GLU A 199 -4.882 11.811 4.936 1.00 0.50 H new ATOM 0 HB2 GLU A 199 -6.285 10.970 2.563 1.00 0.65 H new ATOM 0 HB3 GLU A 199 -7.396 11.974 3.474 1.00 0.65 H new ATOM 0 HG2 GLU A 199 -5.757 13.804 3.589 1.00 1.23 H new ATOM 0 HG3 GLU A 199 -4.505 12.792 2.897 1.00 1.23 H new ATOM 2827 N LEU A 200 -6.726 10.474 6.755 1.00 0.56 N ATOM 2828 CA LEU A 200 -7.731 10.543 7.851 1.00 0.64 C ATOM 2829 C LEU A 200 -7.288 11.559 8.906 1.00 0.77 C ATOM 2830 O LEU A 200 -7.920 12.578 9.101 1.00 1.12 O ATOM 2831 CB LEU A 200 -7.850 9.171 8.501 1.00 0.85 C ATOM 2832 CG LEU A 200 -9.122 8.478 8.019 1.00 1.07 C ATOM 2833 CD1 LEU A 200 -10.336 9.110 8.700 1.00 1.60 C ATOM 2834 CD2 LEU A 200 -9.260 8.624 6.502 1.00 1.04 C ATOM 0 H LEU A 200 -6.016 9.750 6.860 1.00 0.56 H new ATOM 0 HA LEU A 200 -8.692 10.850 7.439 1.00 0.64 H new ATOM 0 HB2 LEU A 200 -6.979 8.565 8.254 1.00 0.85 H new ATOM 0 HB3 LEU A 200 -7.870 9.273 9.586 1.00 0.85 H new ATOM 0 HG LEU A 200 -9.066 7.419 8.272 1.00 1.07 H new ATOM 0 HD11 LEU A 200 -11.244 8.616 8.356 1.00 1.60 H new ATOM 0 HD12 LEU A 200 -10.247 8.996 9.780 1.00 1.60 H new ATOM 0 HD13 LEU A 200 -10.383 10.170 8.450 1.00 1.60 H new ATOM 0 HD21 LEU A 200 -10.171 8.126 6.170 1.00 1.04 H new ATOM 0 HD22 LEU A 200 -9.309 9.681 6.241 1.00 1.04 H new ATOM 0 HD23 LEU A 200 -8.399 8.169 6.013 1.00 1.04 H new ATOM 2846 N ARG A 201 -6.209 11.291 9.593 1.00 0.72 N ATOM 2847 CA ARG A 201 -5.739 12.245 10.636 1.00 0.93 C ATOM 2848 C ARG A 201 -4.283 12.644 10.366 1.00 0.69 C ATOM 2849 O ARG A 201 -4.024 13.640 9.719 1.00 0.89 O ATOM 2850 CB ARG A 201 -5.854 11.591 12.016 1.00 1.36 C ATOM 2851 CG ARG A 201 -7.309 11.637 12.485 1.00 1.92 C ATOM 2852 CD ARG A 201 -7.351 11.958 13.980 1.00 2.24 C ATOM 2853 NE ARG A 201 -8.755 11.865 14.470 1.00 2.90 N ATOM 2854 CZ ARG A 201 -9.071 12.345 15.641 1.00 3.49 C ATOM 2855 NH1 ARG A 201 -9.067 13.635 15.839 1.00 4.30 N ATOM 2856 NH2 ARG A 201 -9.389 11.536 16.614 1.00 3.74 N ATOM 0 H ARG A 201 -5.636 10.455 9.477 1.00 0.72 H new ATOM 0 HA ARG A 201 -6.359 13.141 10.608 1.00 0.93 H new ATOM 0 HB2 ARG A 201 -5.508 10.558 11.970 1.00 1.36 H new ATOM 0 HB3 ARG A 201 -5.214 12.110 12.730 1.00 1.36 H new ATOM 0 HG2 ARG A 201 -7.860 12.392 11.924 1.00 1.92 H new ATOM 0 HG3 ARG A 201 -7.795 10.680 12.293 1.00 1.92 H new ATOM 0 HD2 ARG A 201 -6.716 11.263 14.530 1.00 2.24 H new ATOM 0 HD3 ARG A 201 -6.958 12.959 14.159 1.00 2.24 H new ATOM 0 HE ARG A 201 -9.469 11.426 13.889 1.00 2.90 H new ATOM 0 HH11 ARG A 201 -8.817 14.267 15.078 1.00 4.30 H new ATOM 0 HH12 ARG A 201 -9.314 14.011 16.754 1.00 4.30 H new ATOM 0 HH21 ARG A 201 -9.391 10.528 16.459 1.00 3.74 H new ATOM 0 HH22 ARG A 201 -9.636 11.912 17.530 1.00 3.74 H new ATOM 2870 N PHE A 202 -3.327 11.884 10.851 1.00 0.54 N ATOM 2871 CA PHE A 202 -1.898 12.244 10.610 1.00 0.57 C ATOM 2872 C PHE A 202 -1.663 13.690 11.060 1.00 0.76 C ATOM 2873 O PHE A 202 -0.855 14.399 10.492 1.00 0.96 O ATOM 2874 CB PHE A 202 -1.591 12.114 9.117 1.00 0.59 C ATOM 2875 CG PHE A 202 -0.142 11.737 8.903 1.00 0.55 C ATOM 2876 CD1 PHE A 202 0.856 12.186 9.782 1.00 1.38 C ATOM 2877 CD2 PHE A 202 0.207 10.939 7.808 1.00 1.28 C ATOM 2878 CE1 PHE A 202 2.192 11.837 9.563 1.00 1.40 C ATOM 2879 CE2 PHE A 202 1.546 10.588 7.593 1.00 1.33 C ATOM 2880 CZ PHE A 202 2.537 11.037 8.469 1.00 0.70 C ATOM 0 H PHE A 202 -3.476 11.037 11.399 1.00 0.54 H new ATOM 0 HA PHE A 202 -1.246 11.576 11.173 1.00 0.57 H new ATOM 0 HB2 PHE A 202 -2.239 11.359 8.671 1.00 0.59 H new ATOM 0 HB3 PHE A 202 -1.806 13.056 8.613 1.00 0.59 H new ATOM 0 HD1 PHE A 202 0.591 12.802 10.629 1.00 1.38 H new ATOM 0 HD2 PHE A 202 -0.557 10.593 7.128 1.00 1.28 H new ATOM 0 HE1 PHE A 202 2.958 12.186 10.239 1.00 1.40 H new ATOM 0 HE2 PHE A 202 1.812 9.969 6.749 1.00 1.33 H new ATOM 0 HZ PHE A 202 3.569 10.767 8.302 1.00 0.70 H new ATOM 2890 N LYS A 203 -2.367 14.127 12.074 1.00 1.26 N ATOM 2891 CA LYS A 203 -2.196 15.525 12.570 1.00 1.61 C ATOM 2892 C LYS A 203 -2.242 16.496 11.389 1.00 1.33 C ATOM 2893 O LYS A 203 -1.293 17.203 11.128 1.00 1.82 O ATOM 2894 CB LYS A 203 -0.846 15.654 13.280 1.00 2.16 C ATOM 2895 CG LYS A 203 -0.941 15.036 14.677 1.00 2.79 C ATOM 2896 CD LYS A 203 0.404 15.184 15.393 1.00 3.36 C ATOM 2897 CE LYS A 203 0.222 16.027 16.656 1.00 4.19 C ATOM 2898 NZ LYS A 203 0.075 15.130 17.836 1.00 4.77 N ATOM 0 H LYS A 203 -3.056 13.572 12.581 1.00 1.26 H new ATOM 0 HA LYS A 203 -2.999 15.762 13.268 1.00 1.61 H new ATOM 0 HB2 LYS A 203 -0.070 15.153 12.701 1.00 2.16 H new ATOM 0 HB3 LYS A 203 -0.561 16.704 13.354 1.00 2.16 H new ATOM 0 HG2 LYS A 203 -1.727 15.527 15.251 1.00 2.79 H new ATOM 0 HG3 LYS A 203 -1.212 13.983 14.603 1.00 2.79 H new ATOM 0 HD2 LYS A 203 0.799 14.202 15.653 1.00 3.36 H new ATOM 0 HD3 LYS A 203 1.130 15.655 14.731 1.00 3.36 H new ATOM 0 HE2 LYS A 203 1.079 16.687 16.792 1.00 4.19 H new ATOM 0 HE3 LYS A 203 -0.658 16.663 16.558 1.00 4.19 H new ATOM 0 HZ1 LYS A 203 -0.049 15.703 18.695 1.00 4.77 H new ATOM 0 HZ2 LYS A 203 -0.756 14.518 17.706 1.00 4.77 H new ATOM 0 HZ3 LYS A 203 0.927 14.541 17.933 1.00 4.77 H new ATOM 2912 N GLN A 204 -3.336 16.525 10.674 1.00 1.57 N ATOM 2913 CA GLN A 204 -3.457 17.437 9.503 1.00 1.68 C ATOM 2914 C GLN A 204 -3.209 18.875 9.943 1.00 1.41 C ATOM 2915 O GLN A 204 -4.110 19.579 10.354 1.00 1.75 O ATOM 2916 CB GLN A 204 -4.861 17.320 8.908 1.00 2.45 C ATOM 2917 CG GLN A 204 -4.913 18.060 7.571 1.00 3.39 C ATOM 2918 CD GLN A 204 -5.360 17.095 6.471 1.00 4.31 C ATOM 2919 OE1 GLN A 204 -6.310 17.362 5.762 1.00 4.59 O ATOM 2920 NE2 GLN A 204 -4.710 15.977 6.297 1.00 5.09 N ATOM 0 H GLN A 204 -4.158 15.949 10.855 1.00 1.57 H new ATOM 0 HA GLN A 204 -2.718 17.158 8.751 1.00 1.68 H new ATOM 0 HB2 GLN A 204 -5.120 16.271 8.765 1.00 2.45 H new ATOM 0 HB3 GLN A 204 -5.595 17.739 9.596 1.00 2.45 H new ATOM 0 HG2 GLN A 204 -5.604 18.901 7.635 1.00 3.39 H new ATOM 0 HG3 GLN A 204 -3.932 18.471 7.332 1.00 3.39 H new ATOM 0 HE21 GLN A 204 -3.913 15.753 6.892 1.00 5.09 H new ATOM 0 HE22 GLN A 204 -4.999 15.327 5.566 1.00 5.09 H new ATOM 2929 N TYR A 205 -1.990 19.310 9.858 1.00 1.14 N ATOM 2930 CA TYR A 205 -1.663 20.705 10.269 1.00 1.40 C ATOM 2931 C TYR A 205 -2.099 21.679 9.171 1.00 1.52 C ATOM 2932 O TYR A 205 -2.426 22.818 9.437 1.00 1.67 O ATOM 2933 CB TYR A 205 -0.155 20.836 10.503 1.00 1.73 C ATOM 2934 CG TYR A 205 0.593 20.370 9.276 1.00 1.34 C ATOM 2935 CD1 TYR A 205 0.719 21.218 8.169 1.00 1.92 C ATOM 2936 CD2 TYR A 205 1.160 19.091 9.247 1.00 1.60 C ATOM 2937 CE1 TYR A 205 1.412 20.786 7.033 1.00 2.27 C ATOM 2938 CE2 TYR A 205 1.853 18.659 8.110 1.00 2.03 C ATOM 2939 CZ TYR A 205 1.979 19.506 7.003 1.00 2.20 C ATOM 2940 OH TYR A 205 2.662 19.080 5.882 1.00 2.98 O ATOM 0 H TYR A 205 -1.199 18.761 9.521 1.00 1.14 H new ATOM 0 HA TYR A 205 -2.191 20.941 11.193 1.00 1.40 H new ATOM 0 HB2 TYR A 205 0.100 21.872 10.724 1.00 1.73 H new ATOM 0 HB3 TYR A 205 0.141 20.243 11.368 1.00 1.73 H new ATOM 0 HD1 TYR A 205 0.281 22.205 8.192 1.00 1.92 H new ATOM 0 HD2 TYR A 205 1.063 18.438 10.101 1.00 1.60 H new ATOM 0 HE1 TYR A 205 1.510 21.440 6.179 1.00 2.27 H new ATOM 0 HE2 TYR A 205 2.291 17.672 8.087 1.00 2.03 H new ATOM 0 HH TYR A 205 2.395 18.162 5.665 1.00 2.98 H new ATOM 2950 N LEU A 206 -2.108 21.238 7.940 1.00 1.56 N ATOM 2951 CA LEU A 206 -2.522 22.133 6.821 1.00 1.80 C ATOM 2952 C LEU A 206 -1.608 23.360 6.772 1.00 2.05 C ATOM 2953 O LEU A 206 -1.728 24.273 7.564 1.00 2.53 O ATOM 2954 CB LEU A 206 -3.969 22.582 7.030 1.00 1.76 C ATOM 2955 CG LEU A 206 -4.869 21.352 7.160 1.00 1.73 C ATOM 2956 CD1 LEU A 206 -6.210 21.762 7.771 1.00 1.78 C ATOM 2957 CD2 LEU A 206 -5.104 20.746 5.774 1.00 2.06 C ATOM 0 H LEU A 206 -1.845 20.293 7.661 1.00 1.56 H new ATOM 0 HA LEU A 206 -2.443 21.588 5.880 1.00 1.80 H new ATOM 0 HB2 LEU A 206 -4.044 23.198 7.926 1.00 1.76 H new ATOM 0 HB3 LEU A 206 -4.295 23.198 6.192 1.00 1.76 H new ATOM 0 HG LEU A 206 -4.388 20.615 7.804 1.00 1.73 H new ATOM 0 HD11 LEU A 206 -6.851 20.885 7.863 1.00 1.78 H new ATOM 0 HD12 LEU A 206 -6.043 22.195 8.757 1.00 1.78 H new ATOM 0 HD13 LEU A 206 -6.693 22.498 7.128 1.00 1.78 H new ATOM 0 HD21 LEU A 206 -5.745 19.869 5.864 1.00 2.06 H new ATOM 0 HD22 LEU A 206 -5.586 21.483 5.131 1.00 2.06 H new ATOM 0 HD23 LEU A 206 -4.149 20.454 5.338 1.00 2.06 H new ATOM 2969 N ARG A 207 -0.694 23.387 5.842 1.00 1.95 N ATOM 2970 CA ARG A 207 0.228 24.553 5.736 1.00 2.21 C ATOM 2971 C ARG A 207 -0.569 25.802 5.356 1.00 2.48 C ATOM 2972 O ARG A 207 -1.682 25.648 4.882 1.00 2.92 O ATOM 2973 CB ARG A 207 1.282 24.273 4.662 1.00 2.50 C ATOM 2974 CG ARG A 207 2.670 24.621 5.204 1.00 2.76 C ATOM 2975 CD ARG A 207 3.736 23.894 4.383 1.00 3.27 C ATOM 2976 NE ARG A 207 5.053 24.004 5.070 1.00 3.68 N ATOM 2977 CZ ARG A 207 6.073 24.525 4.445 1.00 4.35 C ATOM 2978 NH1 ARG A 207 6.232 24.313 3.167 1.00 4.90 N ATOM 2979 NH2 ARG A 207 6.935 25.256 5.097 1.00 4.84 N ATOM 2980 OXT ARG A 207 -0.052 26.891 5.546 1.00 2.78 O ATOM 0 H ARG A 207 -0.545 22.652 5.151 1.00 1.95 H new ATOM 0 HA ARG A 207 0.720 24.715 6.695 1.00 2.21 H new ATOM 0 HB2 ARG A 207 1.247 23.224 4.369 1.00 2.50 H new ATOM 0 HB3 ARG A 207 1.071 24.861 3.769 1.00 2.50 H new ATOM 0 HG2 ARG A 207 2.831 25.698 5.156 1.00 2.76 H new ATOM 0 HG3 ARG A 207 2.745 24.334 6.253 1.00 2.76 H new ATOM 0 HD2 ARG A 207 3.464 22.846 4.261 1.00 3.27 H new ATOM 0 HD3 ARG A 207 3.798 24.326 3.384 1.00 3.27 H new ATOM 0 HE ARG A 207 5.157 23.672 6.029 1.00 3.68 H new ATOM 0 HH11 ARG A 207 5.559 23.740 2.657 1.00 4.90 H new ATOM 0 HH12 ARG A 207 7.029 24.720 2.678 1.00 4.90 H new ATOM 0 HH21 ARG A 207 6.812 25.421 6.096 1.00 4.84 H new ATOM 0 HH22 ARG A 207 7.732 25.663 4.608 1.00 4.84 H new TER 2994 ARG A 207 ATOM 2995 N HIS B 483 -1.396 5.952 -8.268 1.00 1.09 N ATOM 2996 CA HIS B 483 -1.609 4.899 -7.235 1.00 0.69 C ATOM 2997 C HIS B 483 -0.489 4.969 -6.194 1.00 0.66 C ATOM 2998 O HIS B 483 -0.121 3.978 -5.596 1.00 1.01 O ATOM 2999 CB HIS B 483 -1.600 3.522 -7.902 1.00 0.65 C ATOM 3000 CG HIS B 483 -2.942 3.260 -8.529 1.00 0.58 C ATOM 3001 ND1 HIS B 483 -4.130 3.571 -7.887 1.00 0.69 N ATOM 3002 CD2 HIS B 483 -3.300 2.719 -9.739 1.00 0.64 C ATOM 3003 CE1 HIS B 483 -5.138 3.218 -8.706 1.00 0.79 C ATOM 3004 NE2 HIS B 483 -4.687 2.693 -9.849 1.00 0.66 N ATOM 0 HA HIS B 483 -2.569 5.060 -6.745 1.00 0.69 H new ATOM 0 HB2 HIS B 483 -0.818 3.478 -8.660 1.00 0.65 H new ATOM 0 HB3 HIS B 483 -1.374 2.751 -7.166 1.00 0.65 H new ATOM 0 HD2 HIS B 483 -2.610 2.367 -10.491 1.00 0.64 H new ATOM 0 HE1 HIS B 483 -6.184 3.344 -8.468 1.00 0.79 H new ATOM 0 HE2 HIS B 483 -5.240 2.348 -10.633 1.00 0.66 H new ATOM 3014 N ILE B 484 0.056 6.134 -5.972 1.00 0.67 N ATOM 3015 CA ILE B 484 1.151 6.264 -4.969 1.00 0.60 C ATOM 3016 C ILE B 484 0.585 6.842 -3.671 1.00 0.54 C ATOM 3017 O ILE B 484 0.566 8.039 -3.467 1.00 0.62 O ATOM 3018 CB ILE B 484 2.237 7.192 -5.517 1.00 0.72 C ATOM 3019 CG1 ILE B 484 2.764 6.631 -6.840 1.00 0.79 C ATOM 3020 CG2 ILE B 484 3.388 7.283 -4.512 1.00 0.79 C ATOM 3021 CD1 ILE B 484 3.067 7.782 -7.800 1.00 0.89 C ATOM 0 H ILE B 484 -0.209 7.000 -6.441 1.00 0.67 H new ATOM 0 HA ILE B 484 1.583 5.283 -4.770 1.00 0.60 H new ATOM 0 HB ILE B 484 1.817 8.185 -5.680 1.00 0.72 H new ATOM 0 HG12 ILE B 484 3.665 6.044 -6.664 1.00 0.79 H new ATOM 0 HG13 ILE B 484 2.027 5.960 -7.282 1.00 0.79 H new ATOM 0 HG21 ILE B 484 4.161 7.944 -4.903 1.00 0.79 H new ATOM 0 HG22 ILE B 484 3.016 7.679 -3.567 1.00 0.79 H new ATOM 0 HG23 ILE B 484 3.808 6.290 -4.349 1.00 0.79 H new ATOM 0 HD11 ILE B 484 3.442 7.381 -8.742 1.00 0.89 H new ATOM 0 HD12 ILE B 484 2.156 8.351 -7.985 1.00 0.89 H new ATOM 0 HD13 ILE B 484 3.819 8.436 -7.358 1.00 0.89 H new ATOM 3033 N ILE B 485 0.124 5.997 -2.790 1.00 0.44 N ATOM 3034 CA ILE B 485 -0.441 6.490 -1.502 1.00 0.41 C ATOM 3035 C ILE B 485 0.603 7.342 -0.779 1.00 0.42 C ATOM 3036 O ILE B 485 1.678 6.880 -0.446 1.00 0.49 O ATOM 3037 CB ILE B 485 -0.821 5.296 -0.623 1.00 0.38 C ATOM 3038 CG1 ILE B 485 -1.663 4.305 -1.427 1.00 0.39 C ATOM 3039 CG2 ILE B 485 -1.628 5.773 0.583 1.00 0.45 C ATOM 3040 CD1 ILE B 485 -2.593 5.065 -2.375 1.00 0.47 C ATOM 0 H ILE B 485 0.114 4.984 -2.907 1.00 0.44 H new ATOM 0 HA ILE B 485 -1.327 7.093 -1.701 1.00 0.41 H new ATOM 0 HB ILE B 485 0.092 4.808 -0.282 1.00 0.38 H new ATOM 0 HG12 ILE B 485 -1.014 3.640 -1.996 1.00 0.39 H new ATOM 0 HG13 ILE B 485 -2.248 3.680 -0.753 1.00 0.39 H new ATOM 0 HG21 ILE B 485 -1.895 4.918 1.204 1.00 0.45 H new ATOM 0 HG22 ILE B 485 -1.030 6.473 1.167 1.00 0.45 H new ATOM 0 HG23 ILE B 485 -2.536 6.269 0.240 1.00 0.45 H new ATOM 0 HD11 ILE B 485 -3.191 4.354 -2.946 1.00 0.47 H new ATOM 0 HD12 ILE B 485 -3.253 5.712 -1.797 1.00 0.47 H new ATOM 0 HD13 ILE B 485 -1.999 5.671 -3.059 1.00 0.47 H new ATOM 3052 N GLU B 486 0.292 8.585 -0.532 1.00 0.38 N ATOM 3053 CA GLU B 486 1.259 9.473 0.171 1.00 0.41 C ATOM 3054 C GLU B 486 0.505 10.324 1.193 1.00 0.41 C ATOM 3055 O GLU B 486 -0.648 10.659 1.005 1.00 0.44 O ATOM 3056 CB GLU B 486 1.953 10.376 -0.847 1.00 0.46 C ATOM 3057 CG GLU B 486 2.820 9.519 -1.770 1.00 0.52 C ATOM 3058 CD GLU B 486 3.263 10.351 -2.975 1.00 0.63 C ATOM 3059 OE1 GLU B 486 3.935 11.348 -2.767 1.00 1.13 O ATOM 3060 OE2 GLU B 486 2.924 9.976 -4.085 1.00 1.39 O ATOM 0 H GLU B 486 -0.592 9.024 -0.788 1.00 0.38 H new ATOM 0 HA GLU B 486 2.010 8.871 0.684 1.00 0.41 H new ATOM 0 HB2 GLU B 486 1.212 10.924 -1.429 1.00 0.46 H new ATOM 0 HB3 GLU B 486 2.568 11.116 -0.335 1.00 0.46 H new ATOM 0 HG2 GLU B 486 3.692 9.151 -1.229 1.00 0.52 H new ATOM 0 HG3 GLU B 486 2.260 8.645 -2.104 1.00 0.52 H new ATOM 3067 N ASN B 487 1.141 10.670 2.277 1.00 0.47 N ATOM 3068 CA ASN B 487 0.453 11.492 3.311 1.00 0.49 C ATOM 3069 C ASN B 487 0.895 12.957 3.196 1.00 0.50 C ATOM 3070 O ASN B 487 1.951 13.244 2.667 1.00 0.51 O ATOM 3071 CB ASN B 487 0.817 10.956 4.696 1.00 0.53 C ATOM 3072 CG ASN B 487 0.095 9.628 4.934 1.00 0.92 C ATOM 3073 OD1 ASN B 487 -1.117 9.564 4.886 1.00 1.71 O ATOM 3074 ND2 ASN B 487 0.794 8.556 5.193 1.00 1.25 N ATOM 0 H ASN B 487 2.106 10.420 2.492 1.00 0.47 H new ATOM 0 HA ASN B 487 -0.625 11.435 3.162 1.00 0.49 H new ATOM 0 HB2 ASN B 487 1.895 10.815 4.771 1.00 0.53 H new ATOM 0 HB3 ASN B 487 0.536 11.678 5.463 1.00 0.53 H new ATOM 0 HD21 ASN B 487 0.322 7.666 5.355 1.00 1.25 H new ATOM 0 HD22 ASN B 487 1.812 8.608 5.234 1.00 1.25 H new ATOM 3081 N PRO B 488 0.067 13.840 3.700 1.00 0.53 N ATOM 3082 CA PRO B 488 0.327 15.286 3.679 1.00 0.60 C ATOM 3083 C PRO B 488 1.375 15.675 4.734 1.00 0.64 C ATOM 3084 O PRO B 488 1.832 16.801 4.770 1.00 0.73 O ATOM 3085 CB PRO B 488 -1.007 15.946 4.005 1.00 0.67 C ATOM 3086 CG PRO B 488 -1.741 14.859 4.827 1.00 0.61 C ATOM 3087 CD PRO B 488 -1.219 13.484 4.341 1.00 0.54 C ATOM 0 HA PRO B 488 0.719 15.601 2.712 1.00 0.60 H new ATOM 0 HB2 PRO B 488 -0.874 16.864 4.578 1.00 0.67 H new ATOM 0 HB3 PRO B 488 -1.558 16.210 3.102 1.00 0.67 H new ATOM 0 HG2 PRO B 488 -1.550 14.988 5.892 1.00 0.61 H new ATOM 0 HG3 PRO B 488 -2.819 14.933 4.686 1.00 0.61 H new ATOM 0 HD2 PRO B 488 -1.082 12.787 5.167 1.00 0.54 H new ATOM 0 HD3 PRO B 488 -1.907 13.014 3.638 1.00 0.54 H new ATOM 3095 N GLN B 489 1.762 14.769 5.595 1.00 0.65 N ATOM 3096 CA GLN B 489 2.774 15.117 6.630 1.00 0.74 C ATOM 3097 C GLN B 489 4.170 14.780 6.108 1.00 0.79 C ATOM 3098 O GLN B 489 5.090 15.566 6.212 1.00 1.04 O ATOM 3099 CB GLN B 489 2.497 14.314 7.903 1.00 0.79 C ATOM 3100 CG GLN B 489 2.012 15.255 9.008 1.00 1.13 C ATOM 3101 CD GLN B 489 3.214 15.951 9.649 1.00 1.87 C ATOM 3102 OE1 GLN B 489 4.069 16.471 8.959 1.00 2.26 O ATOM 3103 NE2 GLN B 489 3.318 15.983 10.949 1.00 2.77 N ATOM 0 H GLN B 489 1.421 13.808 5.624 1.00 0.65 H new ATOM 0 HA GLN B 489 2.716 16.182 6.853 1.00 0.74 H new ATOM 0 HB2 GLN B 489 1.745 13.550 7.706 1.00 0.79 H new ATOM 0 HB3 GLN B 489 3.402 13.797 8.223 1.00 0.79 H new ATOM 0 HG2 GLN B 489 1.327 15.996 8.595 1.00 1.13 H new ATOM 0 HG3 GLN B 489 1.459 14.694 9.761 1.00 1.13 H new ATOM 0 HE21 GLN B 489 2.601 15.547 11.529 1.00 2.77 H new ATOM 0 HE22 GLN B 489 4.116 16.444 11.386 1.00 2.77 H new HETATM 3112 N PTR B 490 4.332 13.615 5.546 1.00 0.75 N HETATM 3113 CA PTR B 490 5.666 13.224 5.016 1.00 0.82 C HETATM 3114 C PTR B 490 5.841 13.797 3.608 1.00 0.80 C HETATM 3115 O PTR B 490 6.790 14.502 3.330 1.00 1.45 O HETATM 3116 CB PTR B 490 5.762 11.697 4.973 1.00 0.97 C HETATM 3117 CG PTR B 490 7.122 11.258 5.463 1.00 0.79 C HETATM 3118 CD1 PTR B 490 7.230 10.478 6.621 1.00 1.30 C HETATM 3119 CD2 PTR B 490 8.273 11.624 4.756 1.00 1.61 C HETATM 3120 CE1 PTR B 490 8.490 10.066 7.072 1.00 1.43 C HETATM 3121 CE2 PTR B 490 9.532 11.212 5.207 1.00 1.80 C HETATM 3122 CZ PTR B 490 9.640 10.432 6.364 1.00 1.28 C HETATM 3123 OH PTR B 490 10.900 10.021 6.815 1.00 1.70 O HETATM 3124 P PTR B 490 11.824 11.088 7.479 1.00 2.39 P HETATM 3125 O1P PTR B 490 12.379 11.915 6.292 1.00 3.02 O HETATM 3126 O2P PTR B 490 12.982 10.268 8.104 1.00 2.84 O HETATM 3127 O3P PTR B 490 10.869 11.864 8.503 1.00 2.88 O HETATM 0 HE2 PTR B 490 10.429 11.499 4.657 1.00 1.80 H new HETATM 0 HE1 PTR B 490 8.575 9.460 7.974 1.00 1.43 H new HETATM 0 HD2 PTR B 490 8.189 12.230 3.854 1.00 1.61 H new HETATM 0 HD1 PTR B 490 6.334 10.192 7.171 1.00 1.30 H new HETATM 0 HB3 PTR B 490 4.982 11.256 5.593 1.00 0.97 H new HETATM 0 HB2 PTR B 490 5.599 11.341 3.956 1.00 0.97 H new HETATM 0 HA PTR B 490 6.451 13.617 5.662 1.00 0.82 H new ATOM 3137 N PHE B 491 4.934 13.505 2.717 1.00 0.67 N ATOM 3138 CA PHE B 491 5.054 14.040 1.331 1.00 0.65 C ATOM 3139 C PHE B 491 4.119 15.239 1.168 1.00 0.81 C ATOM 3140 O PHE B 491 2.912 15.111 1.234 1.00 1.36 O ATOM 3141 CB PHE B 491 4.670 12.952 0.326 1.00 0.73 C ATOM 3142 CG PHE B 491 5.873 12.089 0.034 1.00 0.64 C ATOM 3143 CD1 PHE B 491 6.421 11.291 1.044 1.00 1.35 C ATOM 3144 CD2 PHE B 491 6.440 12.085 -1.246 1.00 1.31 C ATOM 3145 CE1 PHE B 491 7.535 10.488 0.776 1.00 1.37 C ATOM 3146 CE2 PHE B 491 7.554 11.281 -1.515 1.00 1.48 C ATOM 3147 CZ PHE B 491 8.101 10.483 -0.503 1.00 0.98 C ATOM 0 H PHE B 491 4.116 12.920 2.888 1.00 0.67 H new ATOM 0 HA PHE B 491 6.083 14.352 1.149 1.00 0.65 H new ATOM 0 HB2 PHE B 491 3.860 12.342 0.726 1.00 0.73 H new ATOM 0 HB3 PHE B 491 4.303 13.406 -0.594 1.00 0.73 H new ATOM 0 HD1 PHE B 491 5.984 11.295 2.032 1.00 1.35 H new ATOM 0 HD2 PHE B 491 6.018 12.702 -2.026 1.00 1.31 H new ATOM 0 HE1 PHE B 491 7.958 9.872 1.556 1.00 1.37 H new ATOM 0 HE2 PHE B 491 7.991 11.276 -2.503 1.00 1.48 H new ATOM 0 HZ PHE B 491 8.961 9.863 -0.710 1.00 0.98 H new ATOM 3157 N SER B 492 4.665 16.405 0.956 1.00 1.04 N ATOM 3158 CA SER B 492 3.807 17.612 0.789 1.00 1.20 C ATOM 3159 C SER B 492 3.758 18.003 -0.689 1.00 1.24 C ATOM 3160 O SER B 492 4.776 18.196 -1.323 1.00 1.86 O ATOM 3161 CB SER B 492 4.389 18.768 1.603 1.00 1.81 C ATOM 3162 OG SER B 492 3.704 19.968 1.267 1.00 2.28 O ATOM 0 H SER B 492 5.669 16.574 0.891 1.00 1.04 H new ATOM 0 HA SER B 492 2.799 17.392 1.140 1.00 1.20 H new ATOM 0 HB2 SER B 492 4.289 18.564 2.669 1.00 1.81 H new ATOM 0 HB3 SER B 492 5.454 18.873 1.397 1.00 1.81 H new ATOM 0 HG SER B 492 4.073 20.712 1.788 1.00 2.28 H new ATOM 3168 N ASP B 493 2.583 18.122 -1.243 1.00 1.51 N ATOM 3169 CA ASP B 493 2.472 18.501 -2.680 1.00 2.18 C ATOM 3170 C ASP B 493 1.392 19.572 -2.845 1.00 2.34 C ATOM 3171 O ASP B 493 0.277 19.288 -3.234 1.00 3.07 O ATOM 3172 CB ASP B 493 2.099 17.267 -3.504 1.00 3.03 C ATOM 3173 CG ASP B 493 3.332 16.767 -4.259 1.00 3.73 C ATOM 3174 OD1 ASP B 493 4.422 16.904 -3.729 1.00 4.26 O ATOM 3175 OD2 ASP B 493 3.165 16.255 -5.354 1.00 4.18 O ATOM 0 H ASP B 493 1.695 17.973 -0.763 1.00 1.51 H new ATOM 0 HA ASP B 493 3.427 18.895 -3.027 1.00 2.18 H new ATOM 0 HB2 ASP B 493 1.716 16.483 -2.851 1.00 3.03 H new ATOM 0 HB3 ASP B 493 1.303 17.513 -4.207 1.00 3.03 H new ATOM 3180 N ALA B 494 1.713 20.803 -2.553 1.00 2.21 N ATOM 3181 CA ALA B 494 0.704 21.890 -2.694 1.00 2.75 C ATOM 3182 C ALA B 494 1.383 23.247 -2.495 1.00 3.32 C ATOM 3183 O ALA B 494 2.562 23.346 -2.789 1.00 3.74 O ATOM 3184 CB ALA B 494 -0.391 21.709 -1.641 1.00 3.18 C ATOM 3185 OXT ALA B 494 0.711 24.164 -2.051 1.00 3.85 O ATOM 0 H ALA B 494 2.630 21.103 -2.223 1.00 2.21 H new ATOM 0 HA ALA B 494 0.262 21.848 -3.690 1.00 2.75 H new ATOM 0 HB1 ALA B 494 -1.130 22.504 -1.744 1.00 3.18 H new ATOM 0 HB2 ALA B 494 -0.876 20.743 -1.782 1.00 3.18 H new ATOM 0 HB3 ALA B 494 0.051 21.751 -0.646 1.00 3.18 H new TER 3191 ALA B 494 CONECT 3097 3112 CONECT 3112 3097 3113 3128 CONECT 3113 3112 3114 3116 3129 CONECT 3114 3113 3115 3137 CONECT 3115 3114 CONECT 3116 3113 3117 3130 3131 CONECT 3117 3116 3118 3119 CONECT 3118 3117 3120 3132 CONECT 3119 3117 3121 3133 CONECT 3120 3118 3122 3134 CONECT 3121 3119 3122 3135 CONECT 3122 3120 3121 3123 CONECT 3123 3122 3124 CONECT 3124 3123 3125 3126 3127 CONECT 3125 3124 CONECT 3126 3124 CONECT 3127 3124 3136 CONECT 3128 3112 CONECT 3129 3113 CONECT 3130 3116 CONECT 3131 3116 CONECT 3132 3118 CONECT 3133 3119 CONECT 3134 3120 CONECT 3135 3121 CONECT 3136 3127 CONECT 3137 3114 END