USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 891 hydrogens (11 hets) HEADER COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE) 02-SEP-94 1HCS TITLE NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: ACETYL-PYEEIE-OH; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: HUMAN SRC; COMPND 7 CHAIN: B; COMPND 8 SYNONYM: PP60==C-SRC==; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 MOL_ID: 2; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 GENE: NUCLEOTIDE SEQUENCE A; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 KEYWDS HUMAN PP60C-SRC SH2 DOMAIN, COMPLEX (SIGNAL KEYWDS 2 TRANSDUCTION/PEPTIDE) COMPLEX EXPDTA SOLUTION NMR AUTHOR R.T.GAMPE JUNIOR,R.X.XU REVDAT 3 24-FEB-09 1HCS 1 VERSN REVDAT 2 01-APR-03 1HCS 1 JRNL REVDAT 1 15-SEP-95 1HCS 0 JRNL AUTH R.X.XU,J.M.WORD,D.G.DAVIS,M.J.RINK,D.H.WILLARD JR., JRNL AUTH 2 R.T.GAMPE JR. JRNL TITL SOLUTION STRUCTURE OF THE HUMAN PP60C-SRC SH2 JRNL TITL 2 DOMAIN COMPLEXED WITH A PHOSPHORYLATED TYROSINE JRNL TITL 3 PENTAPEPTIDE. JRNL REF BIOCHEMISTRY V. 34 2107 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7532003 JRNL DOI 10.1021/BI00007A003 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.GILMER,M.RODRIGUEZ,S.JORDAN,R.CROSBY,K.ALLIGOOD, REMARK 1 AUTH 2 M.GREEN,M.KIMERY,C.WAGNER,D.KINDER,P.CHARIFSON, REMARK 1 AUTH 3 A.M.HASSELL,D.WILLARD,M.LUTHER,D.RUSNAK, REMARK 1 AUTH 4 D.D.STERNBACH,M.MEHROTRA,M.PEEL,L.SHAMPINE,R.DAVIS, REMARK 1 AUTH 5 J.ROBBINS,I.R.PATEL,D.KASSEL,W.BURKHART,M.MOYER, REMARK 1 AUTH 6 T.BRADSHAW,J.BERMAN REMARK 1 TITL PEPTIDE INHIBITORS OF SRC REMARK 1 TITL 2 SH3-SH2(SLASH)PHOSPHOPROTEIN INTERACTIONS REMARK 1 REF J.BIOL.CHEM. V. 269 31711 1994 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.M.PASCAL,A.U.SINGER,G.GISH,T.YAMAZAKI, REMARK 1 AUTH 2 S.E.SHOELSON,T.PAWSON,L.E.KAY,J.D.FORMAN-KAY REMARK 1 TITL NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 REMARK 1 TITL 2 DOMAIN OF PHOSPHOLIPASE C-GAMMA1 COMPLEXED WITH A REMARK 1 TITL 3 HIGH AFFINITY BINDING PEPTIDE REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 77 461 1994 REMARK 1 REFN ISSN 0092-8674 REMARK 1 REFERENCE 3 REMARK 1 AUTH G.WAKSMAN,S.E.SHOELSON,N.PANT,D.COWBURN,J.KURIYAN REMARK 1 TITL BINDING OF A HIGH AFFINITY PHOSPHOTYROSYL PEPTIDE REMARK 1 TITL 2 TO THE SRC SH2 DOMAIN: CRYSTAL STRUCTURES OF THE REMARK 1 TITL 3 COMPLEXED AND PEPTIDE-FREE FORMS REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 72 779 1993 REMARK 1 REFN ISSN 0092-8674 REMARK 1 REFERENCE 4 REMARK 1 AUTH M.J.ECK,S.E.SHOELSON,S.C.HARRISON REMARK 1 TITL RECOGNITION OF A HIGH-AFFINITY PHOSPHOTYROSYL REMARK 1 TITL 2 PEPTIDE BY THE SRC HOMOLOGY-2 DOMAIN OF P56LCK REMARK 1 REF NATURE V. 362 87 1993 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 5 REMARK 1 AUTH S.K.ANDERSON,C.P.GIBBS,A.TANAKA,H.J.KUNG,D.J.FUGITA REMARK 1 TITL HUMAN CELLULAR SRC GENE: NUCLEOTIDE SEQUENCE AND REMARK 1 TITL 2 DERIVED AMINO ACID SEQUENCE OF THE REGION CODING REMARK 1 TITL 3 FOR THE CARBOXY-TERMINAL TWO-THIRDS OF PP60C-SRC REMARK 1 REF MOL.CELL.BIOL. V. 5 1122 1985 REMARK 1 REFN ISSN 0270-7306 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HCS 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 ASP B 141 100.28 -55.28 REMARK 500 ASN B 193 46.71 -91.27 REMARK 500 ALA B 194 -45.00 -144.23 REMARK 500 LYS B 195 -70.25 -117.53 REMARK 500 TYR B 213 132.57 -178.30 REMARK 500 ARG B 217 -37.18 -164.37 REMARK 500 SER B 222 137.00 -172.19 REMARK 500 HIS B 239 133.41 178.67 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 B 155 0.30 SIDE_CHAIN REMARK 500 ARG B 160 0.23 SIDE_CHAIN REMARK 500 ARG B 169 0.31 SIDE_CHAIN REMARK 500 ARG B 175 0.31 SIDE_CHAIN REMARK 500 ARG B 205 0.32 SIDE_CHAIN REMARK 500 ARG B 217 0.27 SIDE_CHAIN REMARK 500 ARG B 240 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACE A 100 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HCT RELATED DB: PDB DBREF 1HCS B 141 246 UNP P12931 SRC_HUMAN 143 248 DBREF 1HCS A 100 105 PDB 1HCS 1HCS 100 105 SEQRES 1 A 6 ACE PTR GLU GLU ILE GLU SEQRES 1 B 107 MET ASP SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS SEQRES 2 B 107 ILE THR ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA SEQRES 3 B 107 GLU ASN PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU SEQRES 4 B 107 THR THR LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE SEQRES 5 B 107 ASP ASN ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE SEQRES 6 B 107 ARG LYS LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG SEQRES 7 B 107 THR GLN PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SEQRES 8 B 107 SER LYS HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR SEQRES 9 B 107 VAL CYS PRO MODRES 1HCS PTR A 101 TYR O-PHOSPHOTYROSINE HET ACE A 100 6 HET PTR A 101 24 HETNAM ACE ACETYL GROUP HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 1 ACE C2 H4 O FORMUL 1 PTR C9 H12 N O6 P HELIX 1 1 ILE B 143 ALA B 145 5 3 HELIX 2 2 ARG B 155 LEU B 162 1 8 HELIX 3 3 LEU B 223 TYR B 230 1 8 SHEET 1 A 3 PHE B 172 GLU B 176 0 SHEET 2 A 3 TYR B 184 PHE B 191 -1 N SER B 187 O LEU B 173 SHEET 3 A 3 LEU B 197 ILE B 204 -1 N ILE B 204 O TYR B 184 SHEET 1 B 2 ARG B 205 LEU B 207 0 SHEET 2 B 2 GLY B 211 TYR B 213 -1 N TYR B 213 O ARG B 205 LINK C ACE A 100 N PTR A 101 1555 1555 1.31 LINK C PTR A 101 N GLU A 102 1555 1555 1.30 SITE *** AC1 1 PTR A 101 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: A 101 PTR HN2 : A 101 PTR N : A 100 ACE C :(H bumps) USER MOD NoAdj-H: A 101 PTR H : A 101 PTR N : A 100 ACE C :(H bumps) USER MOD Set 1.1: B 242 THR OG1 : rot 180:sc= -0.363 USER MOD Set 1.2: B 243 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: B 222 SER OG : rot 180:sc= -0.0155 USER MOD Set 2.2: B 225 GLN : amide:sc= 0.286 K(o=0.27,f=-3.3!) USER MOD Set 3.1: B 179 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: B 180 THR OG1 : rot 180:sc= 0 USER MOD Single : B 140 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 142 SER OG : rot 63:sc= 0.0933 USER MOD Single : B 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 154 THR OG1 : rot 180:sc= 0.194 USER MOD Single : B 158 SER OG : rot -140:sc= 0.00432 USER MOD Single : B 164 ASN : amide:sc= 0.0412 X(o=0.041,f=0) USER MOD Single : B 167 ASN : amide:sc= -2.41! C(o=-2.4!,f=-2.7!) USER MOD Single : B 171 THR OG1 : rot 75:sc= -0.0957 USER MOD Single : B 177 SER OG : rot -76:sc= 0.622 USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 184 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 CYS SG : rot 5:sc= -0.103 USER MOD Single : B 187 SER OG : rot 180:sc= 0 USER MOD Single : B 189 SER OG : rot -75:sc= 0.296 USER MOD Single : B 193 ASN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 198 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.27) USER MOD Single : B 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 201 HIS : no HE2:sc= -1.23 X(o=-1.2,f=-1.5) USER MOD Single : B 202 TYR OH : rot 180:sc= 0 USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 180:sc= -0.602 USER MOD Single : B 213 TYR OH : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot -160:sc= -0.207 USER MOD Single : B 216 SER OG : rot 180:sc= 0.0643 USER MOD Single : B 218 THR OG1 : rot 180:sc= 0 USER MOD Single : B 219 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 221 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : B 224 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.5!) USER MOD Single : B 229 TYR OH : rot 180:sc= 0 USER MOD Single : B 230 TYR OH : rot 180:sc= 0 USER MOD Single : B 231 SER OG : rot 103:sc= -3.43! USER MOD Single : B 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 233 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-1.8) USER MOD Single : B 238 CYS SG : rot -150:sc= 0.00413 USER MOD Single : B 239 HIS : no HE2:sc= -0.102 K(o=-0.1,f=-1.2) USER MOD Single : B 245 CYS SG : rot 80:sc= -4.09! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 100 1.657 1.437 12.101 1.00 1.31 C HETATM 2 O ACE A 100 2.523 1.924 11.401 1.00 2.09 O HETATM 3 CH3 ACE A 100 1.972 0.910 13.502 1.00 1.42 C HETATM 0 H1 ACE A 100 1.379 1.454 14.237 1.00 1.42 H new HETATM 0 H2 ACE A 100 1.730 -0.152 13.554 1.00 1.42 H new HETATM 0 H3 ACE A 100 3.032 1.051 13.714 1.00 1.42 H new HETATM 7 N PTR A 101 0.423 1.346 11.686 1.00 0.62 N HETATM 8 CA PTR A 101 0.055 1.842 10.331 1.00 0.48 C HETATM 9 C PTR A 101 -0.153 3.357 10.382 1.00 0.51 C HETATM 10 O PTR A 101 -0.287 3.939 11.440 1.00 0.82 O HETATM 11 CB PTR A 101 -1.238 1.163 9.874 1.00 0.45 C HETATM 12 CG PTR A 101 -0.961 -0.287 9.559 1.00 0.42 C HETATM 13 CD1 PTR A 101 -0.471 -0.650 8.293 1.00 0.33 C HETATM 14 CD2 PTR A 101 -1.192 -1.275 10.532 1.00 0.52 C HETATM 15 CE1 PTR A 101 -0.213 -1.999 8.000 1.00 0.38 C HETATM 16 CE2 PTR A 101 -0.933 -2.624 10.239 1.00 0.55 C HETATM 17 CZ PTR A 101 -0.444 -2.987 8.973 1.00 0.48 C HETATM 18 OH PTR A 101 -0.180 -4.360 8.673 1.00 0.55 O HETATM 19 P PTR A 101 1.268 -4.996 8.972 1.00 1.11 P HETATM 20 O1P PTR A 101 1.111 -6.404 8.542 1.00 2.00 O HETATM 21 O2P PTR A 101 1.424 -4.800 10.430 1.00 1.81 O HETATM 22 O3P PTR A 101 2.173 -4.182 8.130 1.00 1.99 O HETATM 0 HE2 PTR A 101 -1.111 -3.390 10.994 1.00 0.55 H new HETATM 0 HE1 PTR A 101 0.167 -2.280 7.018 1.00 0.38 H new HETATM 0 HD2 PTR A 101 -1.572 -0.994 11.514 1.00 0.52 H new HETATM 0 HD1 PTR A 101 -0.291 0.116 7.538 1.00 0.33 H new HETATM 0 HB3 PTR A 101 -1.996 1.238 10.654 1.00 0.45 H new HETATM 0 HB2 PTR A 101 -1.635 1.668 8.993 1.00 0.45 H new HETATM 0 HA PTR A 101 0.855 1.609 9.628 1.00 0.48 H new ATOM 31 N GLU A 102 -0.178 4.001 9.248 1.00 0.45 N ATOM 32 CA GLU A 102 -0.375 5.477 9.233 1.00 0.48 C ATOM 33 C GLU A 102 -1.839 5.795 8.924 1.00 0.55 C ATOM 34 O GLU A 102 -2.621 4.920 8.610 1.00 0.79 O ATOM 35 CB GLU A 102 0.519 6.099 8.158 1.00 0.46 C ATOM 36 CG GLU A 102 1.954 5.600 8.336 1.00 0.45 C ATOM 37 CD GLU A 102 2.435 5.923 9.753 1.00 0.74 C ATOM 38 OE1 GLU A 102 2.378 7.084 10.126 1.00 1.35 O ATOM 39 OE2 GLU A 102 2.851 5.005 10.440 1.00 1.29 O ATOM 0 H GLU A 102 -0.070 3.568 8.331 1.00 0.45 H new ATOM 0 HA GLU A 102 -0.113 5.888 10.208 1.00 0.48 H new ATOM 0 HB2 GLU A 102 0.151 5.835 7.167 1.00 0.46 H new ATOM 0 HB3 GLU A 102 0.489 7.186 8.230 1.00 0.46 H new ATOM 0 HG2 GLU A 102 2.001 4.525 8.161 1.00 0.45 H new ATOM 0 HG3 GLU A 102 2.608 6.071 7.602 1.00 0.45 H new ATOM 46 N GLU A 103 -2.216 7.042 9.012 1.00 0.62 N ATOM 47 CA GLU A 103 -3.629 7.415 8.724 1.00 0.70 C ATOM 48 C GLU A 103 -3.657 8.535 7.681 1.00 0.69 C ATOM 49 O GLU A 103 -2.816 9.412 7.677 1.00 0.75 O ATOM 50 CB GLU A 103 -4.301 7.898 10.011 1.00 0.86 C ATOM 51 CG GLU A 103 -4.473 6.719 10.971 1.00 0.95 C ATOM 52 CD GLU A 103 -5.852 6.793 11.629 1.00 1.70 C ATOM 53 OE1 GLU A 103 -6.097 7.752 12.342 1.00 2.47 O ATOM 54 OE2 GLU A 103 -6.641 5.888 11.408 1.00 2.28 O ATOM 0 H GLU A 103 -1.606 7.818 9.271 1.00 0.62 H new ATOM 0 HA GLU A 103 -4.164 6.547 8.339 1.00 0.70 H new ATOM 0 HB2 GLU A 103 -3.698 8.676 10.479 1.00 0.86 H new ATOM 0 HB3 GLU A 103 -5.271 8.340 9.783 1.00 0.86 H new ATOM 0 HG2 GLU A 103 -4.366 5.778 10.431 1.00 0.95 H new ATOM 0 HG3 GLU A 103 -3.693 6.740 11.733 1.00 0.95 H new ATOM 61 N ILE A 104 -4.617 8.514 6.798 1.00 0.71 N ATOM 62 CA ILE A 104 -4.696 9.578 5.758 1.00 0.74 C ATOM 63 C ILE A 104 -5.325 10.834 6.364 1.00 0.86 C ATOM 64 O ILE A 104 -6.509 10.879 6.633 1.00 0.91 O ATOM 65 CB ILE A 104 -5.556 9.089 4.591 1.00 0.78 C ATOM 66 CG1 ILE A 104 -5.131 7.669 4.204 1.00 0.69 C ATOM 67 CG2 ILE A 104 -5.371 10.023 3.393 1.00 0.91 C ATOM 68 CD1 ILE A 104 -3.742 7.703 3.567 1.00 1.31 C ATOM 0 H ILE A 104 -5.350 7.806 6.752 1.00 0.71 H new ATOM 0 HA ILE A 104 -3.694 9.810 5.397 1.00 0.74 H new ATOM 0 HB ILE A 104 -6.605 9.086 4.889 1.00 0.78 H new ATOM 0 HG12 ILE A 104 -5.122 7.029 5.086 1.00 0.69 H new ATOM 0 HG13 ILE A 104 -5.851 7.241 3.507 1.00 0.69 H new ATOM 0 HG21 ILE A 104 -5.984 9.674 2.562 1.00 0.91 H new ATOM 0 HG22 ILE A 104 -5.674 11.033 3.669 1.00 0.91 H new ATOM 0 HG23 ILE A 104 -4.323 10.028 3.094 1.00 0.91 H new ATOM 0 HD11 ILE A 104 -3.443 6.691 3.293 1.00 1.31 H new ATOM 0 HD12 ILE A 104 -3.766 8.329 2.675 1.00 1.31 H new ATOM 0 HD13 ILE A 104 -3.025 8.113 4.279 1.00 1.31 H new ATOM 80 N GLU A 105 -4.542 11.856 6.581 1.00 1.06 N ATOM 81 CA GLU A 105 -5.097 13.107 7.170 1.00 1.21 C ATOM 82 C GLU A 105 -4.507 14.318 6.443 1.00 1.43 C ATOM 83 O GLU A 105 -5.280 15.139 5.977 1.00 1.71 O ATOM 84 CB GLU A 105 -4.734 13.178 8.655 1.00 1.40 C ATOM 85 CG GLU A 105 -5.525 12.119 9.426 1.00 1.38 C ATOM 86 CD GLU A 105 -6.268 12.782 10.587 1.00 1.80 C ATOM 87 OE1 GLU A 105 -5.686 13.647 11.220 1.00 2.40 O ATOM 88 OE2 GLU A 105 -7.407 12.413 10.824 1.00 2.16 O ATOM 89 OXT GLU A 105 -3.292 14.403 6.366 1.00 2.01 O ATOM 0 H GLU A 105 -3.543 11.878 6.376 1.00 1.06 H new ATOM 0 HA GLU A 105 -6.182 13.109 7.061 1.00 1.21 H new ATOM 0 HB2 GLU A 105 -3.664 13.015 8.787 1.00 1.40 H new ATOM 0 HB3 GLU A 105 -4.956 14.170 9.047 1.00 1.40 H new ATOM 0 HG2 GLU A 105 -6.234 11.624 8.762 1.00 1.38 H new ATOM 0 HG3 GLU A 105 -4.851 11.350 9.803 1.00 1.38 H new TER 96 GLU A 105 ATOM 97 N MET B 140 -10.554 -11.313 -17.486 1.00 5.89 N ATOM 98 CA MET B 140 -9.193 -11.899 -17.317 1.00 5.42 C ATOM 99 C MET B 140 -8.479 -11.207 -16.154 1.00 4.57 C ATOM 100 O MET B 140 -7.813 -11.839 -15.358 1.00 4.74 O ATOM 101 CB MET B 140 -8.387 -11.697 -18.602 1.00 5.91 C ATOM 102 CG MET B 140 -8.165 -10.202 -18.836 1.00 6.66 C ATOM 103 SD MET B 140 -7.458 -9.947 -20.483 1.00 7.53 S ATOM 104 CE MET B 140 -9.019 -9.706 -21.366 1.00 8.20 C ATOM 0 HA MET B 140 -9.281 -12.965 -17.107 1.00 5.42 H new ATOM 0 HB2 MET B 140 -7.428 -12.210 -18.527 1.00 5.91 H new ATOM 0 HB3 MET B 140 -8.917 -12.134 -19.449 1.00 5.91 H new ATOM 0 HG2 MET B 140 -9.109 -9.665 -18.747 1.00 6.66 H new ATOM 0 HG3 MET B 140 -7.496 -9.799 -18.075 1.00 6.66 H new ATOM 0 HE1 MET B 140 -8.816 -9.529 -22.422 1.00 8.20 H new ATOM 0 HE2 MET B 140 -9.638 -10.597 -21.260 1.00 8.20 H new ATOM 0 HE3 MET B 140 -9.544 -8.847 -20.949 1.00 8.20 H new ATOM 116 N ASP B 141 -8.611 -9.913 -16.048 1.00 4.08 N ATOM 117 CA ASP B 141 -7.938 -9.184 -14.937 1.00 3.63 C ATOM 118 C ASP B 141 -8.356 -9.797 -13.599 1.00 2.80 C ATOM 119 O ASP B 141 -9.424 -9.525 -13.087 1.00 3.09 O ATOM 120 CB ASP B 141 -8.344 -7.710 -14.976 1.00 4.23 C ATOM 121 CG ASP B 141 -7.284 -6.910 -15.736 1.00 5.09 C ATOM 122 OD1 ASP B 141 -6.117 -7.242 -15.610 1.00 5.53 O ATOM 123 OD2 ASP B 141 -7.658 -5.981 -16.433 1.00 5.63 O ATOM 0 H ASP B 141 -9.156 -9.330 -16.683 1.00 4.08 H new ATOM 0 HA ASP B 141 -6.857 -9.264 -15.050 1.00 3.63 H new ATOM 0 HB2 ASP B 141 -9.314 -7.601 -15.461 1.00 4.23 H new ATOM 0 HB3 ASP B 141 -8.449 -7.324 -13.962 1.00 4.23 H new ATOM 128 N SER B 142 -7.523 -10.625 -13.031 1.00 2.22 N ATOM 129 CA SER B 142 -7.871 -11.259 -11.728 1.00 1.67 C ATOM 130 C SER B 142 -7.021 -10.642 -10.615 1.00 1.40 C ATOM 131 O SER B 142 -5.854 -10.359 -10.796 1.00 1.36 O ATOM 132 CB SER B 142 -7.597 -12.761 -11.804 1.00 1.90 C ATOM 133 OG SER B 142 -8.551 -13.370 -12.664 1.00 2.31 O ATOM 0 H SER B 142 -6.615 -10.890 -13.413 1.00 2.22 H new ATOM 0 HA SER B 142 -8.926 -11.091 -11.513 1.00 1.67 H new ATOM 0 HB2 SER B 142 -6.588 -12.940 -12.176 1.00 1.90 H new ATOM 0 HB3 SER B 142 -7.653 -13.203 -10.809 1.00 1.90 H new ATOM 0 HG SER B 142 -8.450 -13.011 -13.570 1.00 2.31 H new ATOM 139 N ILE B 143 -7.597 -10.433 -9.462 1.00 1.31 N ATOM 140 CA ILE B 143 -6.822 -9.836 -8.339 1.00 1.15 C ATOM 141 C ILE B 143 -5.695 -10.789 -7.932 1.00 1.06 C ATOM 142 O ILE B 143 -4.774 -10.412 -7.235 1.00 1.08 O ATOM 143 CB ILE B 143 -7.749 -9.608 -7.144 1.00 1.25 C ATOM 144 CG1 ILE B 143 -6.987 -8.863 -6.046 1.00 1.27 C ATOM 145 CG2 ILE B 143 -8.229 -10.957 -6.606 1.00 1.57 C ATOM 146 CD1 ILE B 143 -7.969 -8.035 -5.214 1.00 1.47 C ATOM 0 H ILE B 143 -8.571 -10.650 -9.250 1.00 1.31 H new ATOM 0 HA ILE B 143 -6.397 -8.884 -8.658 1.00 1.15 H new ATOM 0 HB ILE B 143 -8.609 -9.016 -7.457 1.00 1.25 H new ATOM 0 HG12 ILE B 143 -6.462 -9.573 -5.407 1.00 1.27 H new ATOM 0 HG13 ILE B 143 -6.232 -8.214 -6.489 1.00 1.27 H new ATOM 0 HG21 ILE B 143 -8.890 -10.795 -5.754 1.00 1.57 H new ATOM 0 HG22 ILE B 143 -8.770 -11.489 -7.389 1.00 1.57 H new ATOM 0 HG23 ILE B 143 -7.370 -11.550 -6.291 1.00 1.57 H new ATOM 0 HD11 ILE B 143 -7.426 -7.504 -4.432 1.00 1.47 H new ATOM 0 HD12 ILE B 143 -8.474 -7.315 -5.858 1.00 1.47 H new ATOM 0 HD13 ILE B 143 -8.707 -8.695 -4.759 1.00 1.47 H new ATOM 158 N GLN B 144 -5.761 -12.020 -8.360 1.00 1.10 N ATOM 159 CA GLN B 144 -4.692 -12.992 -7.994 1.00 1.19 C ATOM 160 C GLN B 144 -3.409 -12.648 -8.753 1.00 1.18 C ATOM 161 O GLN B 144 -2.315 -12.884 -8.279 1.00 1.34 O ATOM 162 CB GLN B 144 -5.140 -14.408 -8.364 1.00 1.40 C ATOM 163 CG GLN B 144 -5.190 -15.271 -7.101 1.00 1.79 C ATOM 164 CD GLN B 144 -5.662 -16.680 -7.463 1.00 2.23 C ATOM 165 OE1 GLN B 144 -6.775 -17.058 -7.155 1.00 2.87 O ATOM 166 NE2 GLN B 144 -4.857 -17.479 -8.107 1.00 2.56 N ATOM 0 H GLN B 144 -6.507 -12.394 -8.946 1.00 1.10 H new ATOM 0 HA GLN B 144 -4.505 -12.939 -6.921 1.00 1.19 H new ATOM 0 HB2 GLN B 144 -6.122 -14.379 -8.837 1.00 1.40 H new ATOM 0 HB3 GLN B 144 -4.450 -14.842 -9.088 1.00 1.40 H new ATOM 0 HG2 GLN B 144 -4.204 -15.314 -6.638 1.00 1.79 H new ATOM 0 HG3 GLN B 144 -5.866 -14.826 -6.371 1.00 1.79 H new ATOM 0 HE21 GLN B 144 -3.923 -17.162 -8.366 1.00 2.56 H new ATOM 0 HE22 GLN B 144 -5.162 -18.421 -8.352 1.00 2.56 H new ATOM 175 N ALA B 145 -3.533 -12.092 -9.926 1.00 1.15 N ATOM 176 CA ALA B 145 -2.319 -11.734 -10.713 1.00 1.26 C ATOM 177 C ALA B 145 -2.326 -10.233 -11.009 1.00 1.05 C ATOM 178 O ALA B 145 -2.209 -9.814 -12.143 1.00 1.49 O ATOM 179 CB ALA B 145 -2.317 -12.512 -12.030 1.00 1.65 C ATOM 0 H ALA B 145 -4.422 -11.870 -10.374 1.00 1.15 H new ATOM 0 HA ALA B 145 -1.428 -11.987 -10.139 1.00 1.26 H new ATOM 0 HB1 ALA B 145 -1.429 -12.250 -12.606 1.00 1.65 H new ATOM 0 HB2 ALA B 145 -2.312 -13.582 -11.821 1.00 1.65 H new ATOM 0 HB3 ALA B 145 -3.209 -12.259 -12.603 1.00 1.65 H new ATOM 185 N GLU B 146 -2.463 -9.419 -9.998 1.00 0.80 N ATOM 186 CA GLU B 146 -2.477 -7.946 -10.225 1.00 0.59 C ATOM 187 C GLU B 146 -1.039 -7.428 -10.298 1.00 0.48 C ATOM 188 O GLU B 146 -0.127 -8.020 -9.757 1.00 0.51 O ATOM 189 CB GLU B 146 -3.210 -7.259 -9.072 1.00 0.64 C ATOM 190 CG GLU B 146 -4.638 -6.921 -9.504 1.00 0.97 C ATOM 191 CD GLU B 146 -4.604 -5.826 -10.572 1.00 1.85 C ATOM 192 OE1 GLU B 146 -4.326 -6.150 -11.715 1.00 2.53 O ATOM 193 OE2 GLU B 146 -4.857 -4.683 -10.230 1.00 2.53 O ATOM 0 H GLU B 146 -2.566 -9.710 -9.026 1.00 0.80 H new ATOM 0 HA GLU B 146 -2.990 -7.727 -11.162 1.00 0.59 H new ATOM 0 HB2 GLU B 146 -3.228 -7.911 -8.199 1.00 0.64 H new ATOM 0 HB3 GLU B 146 -2.682 -6.351 -8.781 1.00 0.64 H new ATOM 0 HG2 GLU B 146 -5.131 -7.811 -9.896 1.00 0.97 H new ATOM 0 HG3 GLU B 146 -5.220 -6.587 -8.645 1.00 0.97 H new ATOM 200 N GLU B 147 -0.830 -6.326 -10.965 1.00 0.47 N ATOM 201 CA GLU B 147 0.548 -5.770 -11.075 1.00 0.49 C ATOM 202 C GLU B 147 1.045 -5.349 -9.689 1.00 0.41 C ATOM 203 O GLU B 147 2.228 -5.185 -9.468 1.00 0.50 O ATOM 204 CB GLU B 147 0.533 -4.553 -12.002 1.00 0.63 C ATOM 205 CG GLU B 147 1.911 -4.383 -12.645 1.00 1.55 C ATOM 206 CD GLU B 147 1.788 -3.515 -13.898 1.00 2.19 C ATOM 207 OE1 GLU B 147 0.902 -2.677 -13.929 1.00 2.84 O ATOM 208 OE2 GLU B 147 2.581 -3.703 -14.805 1.00 2.62 O ATOM 0 H GLU B 147 -1.555 -5.787 -11.439 1.00 0.47 H new ATOM 0 HA GLU B 147 1.214 -6.531 -11.482 1.00 0.49 H new ATOM 0 HB2 GLU B 147 -0.227 -4.680 -12.773 1.00 0.63 H new ATOM 0 HB3 GLU B 147 0.270 -3.657 -11.439 1.00 0.63 H new ATOM 0 HG2 GLU B 147 2.600 -3.922 -11.937 1.00 1.55 H new ATOM 0 HG3 GLU B 147 2.325 -5.357 -12.904 1.00 1.55 H new ATOM 215 N TRP B 148 0.152 -5.171 -8.754 1.00 0.33 N ATOM 216 CA TRP B 148 0.580 -4.760 -7.386 1.00 0.29 C ATOM 217 C TRP B 148 0.069 -5.774 -6.361 1.00 0.26 C ATOM 218 O TRP B 148 -0.285 -5.426 -5.253 1.00 0.29 O ATOM 219 CB TRP B 148 0.014 -3.373 -7.060 1.00 0.32 C ATOM 220 CG TRP B 148 -1.345 -3.221 -7.671 1.00 0.32 C ATOM 221 CD1 TRP B 148 -1.602 -2.605 -8.849 1.00 0.41 C ATOM 222 CD2 TRP B 148 -2.631 -3.677 -7.158 1.00 0.30 C ATOM 223 NE1 TRP B 148 -2.963 -2.654 -9.094 1.00 0.42 N ATOM 224 CE2 TRP B 148 -3.641 -3.304 -8.082 1.00 0.36 C ATOM 225 CE3 TRP B 148 -3.018 -4.372 -5.992 1.00 0.32 C ATOM 226 CZ2 TRP B 148 -4.988 -3.611 -7.857 1.00 0.39 C ATOM 227 CZ3 TRP B 148 -4.372 -4.682 -5.762 1.00 0.38 C ATOM 228 CH2 TRP B 148 -5.355 -4.302 -6.694 1.00 0.40 C ATOM 0 H TRP B 148 -0.853 -5.292 -8.877 1.00 0.33 H new ATOM 0 HA TRP B 148 1.669 -4.723 -7.348 1.00 0.29 H new ATOM 0 HB2 TRP B 148 -0.046 -3.240 -5.980 1.00 0.32 H new ATOM 0 HB3 TRP B 148 0.682 -2.600 -7.440 1.00 0.32 H new ATOM 0 HD1 TRP B 148 -0.864 -2.149 -9.493 1.00 0.41 H new ATOM 0 HE1 TRP B 148 -3.410 -2.258 -9.921 1.00 0.42 H new ATOM 0 HE3 TRP B 148 -2.270 -4.668 -5.271 1.00 0.32 H new ATOM 0 HZ2 TRP B 148 -5.740 -3.317 -8.575 1.00 0.39 H new ATOM 0 HZ3 TRP B 148 -4.657 -5.214 -4.866 1.00 0.38 H new ATOM 0 HH2 TRP B 148 -6.392 -4.543 -6.513 1.00 0.40 H new ATOM 239 N TYR B 149 0.030 -7.029 -6.720 1.00 0.30 N ATOM 240 CA TYR B 149 -0.456 -8.062 -5.762 1.00 0.33 C ATOM 241 C TYR B 149 0.583 -9.180 -5.645 1.00 0.33 C ATOM 242 O TYR B 149 0.711 -10.015 -6.518 1.00 0.42 O ATOM 243 CB TYR B 149 -1.778 -8.645 -6.266 1.00 0.43 C ATOM 244 CG TYR B 149 -2.377 -9.534 -5.201 1.00 0.53 C ATOM 245 CD1 TYR B 149 -2.868 -8.972 -4.010 1.00 1.18 C ATOM 246 CD2 TYR B 149 -2.445 -10.923 -5.403 1.00 1.45 C ATOM 247 CE1 TYR B 149 -3.426 -9.800 -3.021 1.00 1.22 C ATOM 248 CE2 TYR B 149 -3.003 -11.750 -4.414 1.00 1.59 C ATOM 249 CZ TYR B 149 -3.494 -11.188 -3.223 1.00 0.91 C ATOM 250 OH TYR B 149 -4.043 -12.001 -2.252 1.00 1.12 O ATOM 0 H TYR B 149 0.313 -7.383 -7.634 1.00 0.30 H new ATOM 0 HA TYR B 149 -0.610 -7.605 -4.784 1.00 0.33 H new ATOM 0 HB2 TYR B 149 -2.471 -7.841 -6.515 1.00 0.43 H new ATOM 0 HB3 TYR B 149 -1.611 -9.216 -7.179 1.00 0.43 H new ATOM 0 HD1 TYR B 149 -2.817 -7.904 -3.855 1.00 1.18 H new ATOM 0 HD2 TYR B 149 -2.068 -11.355 -6.319 1.00 1.45 H new ATOM 0 HE1 TYR B 149 -3.803 -9.369 -2.105 1.00 1.22 H new ATOM 0 HE2 TYR B 149 -3.055 -12.818 -4.569 1.00 1.59 H new ATOM 0 HH TYR B 149 -4.013 -12.934 -2.551 1.00 1.12 H new ATOM 260 N PHE B 150 1.325 -9.202 -4.572 1.00 0.34 N ATOM 261 CA PHE B 150 2.354 -10.266 -4.399 1.00 0.38 C ATOM 262 C PHE B 150 1.732 -11.464 -3.678 1.00 0.39 C ATOM 263 O PHE B 150 2.083 -12.600 -3.926 1.00 0.48 O ATOM 264 CB PHE B 150 3.517 -9.719 -3.569 1.00 0.43 C ATOM 265 CG PHE B 150 4.765 -9.674 -4.417 1.00 0.58 C ATOM 266 CD1 PHE B 150 4.682 -9.310 -5.772 1.00 1.47 C ATOM 267 CD2 PHE B 150 6.010 -9.997 -3.851 1.00 1.39 C ATOM 268 CE1 PHE B 150 5.844 -9.268 -6.560 1.00 1.75 C ATOM 269 CE2 PHE B 150 7.172 -9.954 -4.640 1.00 1.60 C ATOM 270 CZ PHE B 150 7.089 -9.590 -5.995 1.00 1.37 C ATOM 0 H PHE B 150 1.263 -8.529 -3.808 1.00 0.34 H new ATOM 0 HA PHE B 150 2.721 -10.580 -5.376 1.00 0.38 H new ATOM 0 HB2 PHE B 150 3.278 -8.721 -3.202 1.00 0.43 H new ATOM 0 HB3 PHE B 150 3.681 -10.349 -2.695 1.00 0.43 H new ATOM 0 HD1 PHE B 150 3.725 -9.063 -6.207 1.00 1.47 H new ATOM 0 HD2 PHE B 150 6.074 -10.278 -2.810 1.00 1.39 H new ATOM 0 HE1 PHE B 150 5.780 -8.988 -7.601 1.00 1.75 H new ATOM 0 HE2 PHE B 150 8.129 -10.201 -4.205 1.00 1.60 H new ATOM 0 HZ PHE B 150 7.982 -9.558 -6.601 1.00 1.37 H new ATOM 280 N GLY B 151 0.810 -11.219 -2.788 1.00 0.39 N ATOM 281 CA GLY B 151 0.166 -12.343 -2.052 1.00 0.44 C ATOM 282 C GLY B 151 0.468 -12.215 -0.558 1.00 0.43 C ATOM 283 O GLY B 151 0.545 -11.127 -0.022 1.00 0.68 O ATOM 0 H GLY B 151 0.475 -10.289 -2.539 1.00 0.39 H new ATOM 0 HA2 GLY B 151 -0.911 -12.331 -2.218 1.00 0.44 H new ATOM 0 HA3 GLY B 151 0.536 -13.297 -2.428 1.00 0.44 H new ATOM 287 N LYS B 152 0.639 -13.317 0.119 1.00 0.55 N ATOM 288 CA LYS B 152 0.935 -13.256 1.579 1.00 0.52 C ATOM 289 C LYS B 152 2.447 -13.340 1.797 1.00 0.47 C ATOM 290 O LYS B 152 3.055 -14.374 1.606 1.00 0.61 O ATOM 291 CB LYS B 152 0.252 -14.428 2.287 1.00 0.60 C ATOM 292 CG LYS B 152 0.600 -14.397 3.777 1.00 1.44 C ATOM 293 CD LYS B 152 0.159 -15.707 4.432 1.00 1.59 C ATOM 294 CE LYS B 152 1.045 -15.994 5.645 1.00 2.29 C ATOM 295 NZ LYS B 152 1.388 -17.444 5.677 1.00 2.69 N ATOM 0 H LYS B 152 0.587 -14.256 -0.275 1.00 0.55 H new ATOM 0 HA LYS B 152 0.561 -12.317 1.987 1.00 0.52 H new ATOM 0 HB2 LYS B 152 -0.828 -14.368 2.154 1.00 0.60 H new ATOM 0 HB3 LYS B 152 0.575 -15.371 1.847 1.00 0.60 H new ATOM 0 HG2 LYS B 152 1.673 -14.256 3.908 1.00 1.44 H new ATOM 0 HG3 LYS B 152 0.107 -13.553 4.259 1.00 1.44 H new ATOM 0 HD2 LYS B 152 -0.885 -15.639 4.739 1.00 1.59 H new ATOM 0 HD3 LYS B 152 0.228 -16.526 3.716 1.00 1.59 H new ATOM 0 HE2 LYS B 152 1.954 -15.395 5.594 1.00 2.29 H new ATOM 0 HE3 LYS B 152 0.528 -15.711 6.562 1.00 2.29 H new ATOM 0 HZ1 LYS B 152 1.991 -17.640 6.502 1.00 2.69 H new ATOM 0 HZ2 LYS B 152 0.515 -18.006 5.744 1.00 2.69 H new ATOM 0 HZ3 LYS B 152 1.898 -17.699 4.807 1.00 2.69 H new ATOM 309 N ILE B 153 3.057 -12.259 2.199 1.00 0.55 N ATOM 310 CA ILE B 153 4.529 -12.277 2.432 1.00 0.55 C ATOM 311 C ILE B 153 4.814 -11.949 3.898 1.00 0.53 C ATOM 312 O ILE B 153 3.954 -11.485 4.620 1.00 0.61 O ATOM 313 CB ILE B 153 5.200 -11.235 1.535 1.00 0.59 C ATOM 314 CG1 ILE B 153 4.567 -9.864 1.784 1.00 0.61 C ATOM 315 CG2 ILE B 153 5.008 -11.623 0.067 1.00 0.66 C ATOM 316 CD1 ILE B 153 5.479 -8.771 1.223 1.00 0.72 C ATOM 0 H ILE B 153 2.600 -11.364 2.376 1.00 0.55 H new ATOM 0 HA ILE B 153 4.924 -13.265 2.197 1.00 0.55 H new ATOM 0 HB ILE B 153 6.265 -11.193 1.764 1.00 0.59 H new ATOM 0 HG12 ILE B 153 3.587 -9.813 1.310 1.00 0.61 H new ATOM 0 HG13 ILE B 153 4.413 -9.711 2.852 1.00 0.61 H new ATOM 0 HG21 ILE B 153 5.486 -10.880 -0.571 1.00 0.66 H new ATOM 0 HG22 ILE B 153 5.458 -12.600 -0.113 1.00 0.66 H new ATOM 0 HG23 ILE B 153 3.943 -11.666 -0.162 1.00 0.66 H new ATOM 0 HD11 ILE B 153 5.028 -7.795 1.400 1.00 0.72 H new ATOM 0 HD12 ILE B 153 6.449 -8.818 1.717 1.00 0.72 H new ATOM 0 HD13 ILE B 153 5.610 -8.921 0.151 1.00 0.72 H new ATOM 328 N THR B 154 6.016 -12.188 4.346 1.00 0.58 N ATOM 329 CA THR B 154 6.354 -11.891 5.767 1.00 0.59 C ATOM 330 C THR B 154 6.588 -10.388 5.933 1.00 0.53 C ATOM 331 O THR B 154 6.696 -9.656 4.970 1.00 0.54 O ATOM 332 CB THR B 154 7.624 -12.650 6.159 1.00 0.67 C ATOM 333 OG1 THR B 154 8.753 -12.013 5.576 1.00 0.70 O ATOM 334 CG2 THR B 154 7.534 -14.092 5.657 1.00 0.75 C ATOM 0 H THR B 154 6.778 -12.576 3.790 1.00 0.58 H new ATOM 0 HA THR B 154 5.530 -12.204 6.409 1.00 0.59 H new ATOM 0 HB THR B 154 7.727 -12.651 7.244 1.00 0.67 H new ATOM 0 HG1 THR B 154 9.567 -12.497 5.827 1.00 0.70 H new ATOM 0 HG21 THR B 154 8.439 -14.632 5.937 1.00 0.75 H new ATOM 0 HG22 THR B 154 6.668 -14.580 6.104 1.00 0.75 H new ATOM 0 HG23 THR B 154 7.431 -14.094 4.572 1.00 0.75 H new ATOM 342 N ARG B 155 6.667 -9.922 7.150 1.00 0.62 N ATOM 343 CA ARG B 155 6.894 -8.467 7.379 1.00 0.60 C ATOM 344 C ARG B 155 8.371 -8.139 7.151 1.00 0.55 C ATOM 345 O ARG B 155 8.712 -7.087 6.648 1.00 0.52 O ATOM 346 CB ARG B 155 6.507 -8.109 8.815 1.00 0.71 C ATOM 347 CG ARG B 155 6.886 -6.654 9.099 1.00 0.86 C ATOM 348 CD ARG B 155 6.409 -6.265 10.500 1.00 1.34 C ATOM 349 NE ARG B 155 6.661 -7.391 11.442 1.00 1.40 N ATOM 350 CZ ARG B 155 7.388 -7.200 12.508 1.00 1.88 C ATOM 351 NH1 ARG B 155 8.679 -7.039 12.398 1.00 2.60 N ATOM 352 NH2 ARG B 155 6.825 -7.169 13.685 1.00 2.38 N ATOM 0 H ARG B 155 6.584 -10.486 7.996 1.00 0.62 H new ATOM 0 HA ARG B 155 6.283 -7.891 6.685 1.00 0.60 H new ATOM 0 HB2 ARG B 155 5.436 -8.252 8.961 1.00 0.71 H new ATOM 0 HB3 ARG B 155 7.015 -8.772 9.516 1.00 0.71 H new ATOM 0 HG2 ARG B 155 7.966 -6.527 9.023 1.00 0.86 H new ATOM 0 HG3 ARG B 155 6.435 -5.998 8.355 1.00 0.86 H new ATOM 0 HD2 ARG B 155 6.932 -5.370 10.838 1.00 1.34 H new ATOM 0 HD3 ARG B 155 5.346 -6.025 10.480 1.00 1.34 H new ATOM 0 HE ARG B 155 6.265 -8.312 11.253 1.00 1.40 H new ATOM 0 HH11 ARG B 155 9.119 -7.063 11.478 1.00 2.60 H new ATOM 0 HH12 ARG B 155 9.247 -6.890 13.232 1.00 2.60 H new ATOM 0 HH21 ARG B 155 5.816 -7.294 13.771 1.00 2.38 H new ATOM 0 HH22 ARG B 155 7.394 -7.020 14.519 1.00 2.38 H new ATOM 366 N ARG B 156 9.250 -9.031 7.518 1.00 0.59 N ATOM 367 CA ARG B 156 10.703 -8.768 7.321 1.00 0.59 C ATOM 368 C ARG B 156 10.985 -8.559 5.832 1.00 0.52 C ATOM 369 O ARG B 156 11.599 -7.588 5.437 1.00 0.51 O ATOM 370 CB ARG B 156 11.513 -9.962 7.831 1.00 0.67 C ATOM 371 CG ARG B 156 12.967 -9.538 8.050 1.00 1.05 C ATOM 372 CD ARG B 156 13.763 -9.763 6.764 1.00 1.43 C ATOM 373 NE ARG B 156 15.148 -9.239 6.938 1.00 1.52 N ATOM 374 CZ ARG B 156 15.981 -9.837 7.747 1.00 1.91 C ATOM 375 NH1 ARG B 156 15.682 -11.002 8.258 1.00 2.44 N ATOM 376 NH2 ARG B 156 17.118 -9.270 8.045 1.00 2.54 N ATOM 0 H ARG B 156 9.025 -9.929 7.945 1.00 0.59 H new ATOM 0 HA ARG B 156 10.988 -7.874 7.875 1.00 0.59 H new ATOM 0 HB2 ARG B 156 11.087 -10.332 8.763 1.00 0.67 H new ATOM 0 HB3 ARG B 156 11.466 -10.780 7.112 1.00 0.67 H new ATOM 0 HG2 ARG B 156 13.011 -8.488 8.339 1.00 1.05 H new ATOM 0 HG3 ARG B 156 13.405 -10.112 8.867 1.00 1.05 H new ATOM 0 HD2 ARG B 156 13.792 -10.826 6.523 1.00 1.43 H new ATOM 0 HD3 ARG B 156 13.275 -9.260 5.929 1.00 1.43 H new ATOM 0 HE ARG B 156 15.446 -8.410 6.423 1.00 1.52 H new ATOM 0 HH11 ARG B 156 14.795 -11.448 8.026 1.00 2.44 H new ATOM 0 HH12 ARG B 156 16.336 -11.465 8.889 1.00 2.44 H new ATOM 0 HH21 ARG B 156 17.355 -8.361 7.646 1.00 2.54 H new ATOM 0 HH22 ARG B 156 17.770 -9.735 8.677 1.00 2.54 H new ATOM 390 N GLU B 157 10.540 -9.463 5.002 1.00 0.52 N ATOM 391 CA GLU B 157 10.781 -9.315 3.540 1.00 0.50 C ATOM 392 C GLU B 157 10.041 -8.078 3.025 1.00 0.46 C ATOM 393 O GLU B 157 10.512 -7.382 2.147 1.00 0.49 O ATOM 394 CB GLU B 157 10.268 -10.558 2.809 1.00 0.56 C ATOM 395 CG GLU B 157 10.480 -10.389 1.304 1.00 0.79 C ATOM 396 CD GLU B 157 10.863 -11.736 0.687 1.00 1.16 C ATOM 397 OE1 GLU B 157 11.168 -12.645 1.441 1.00 1.68 O ATOM 398 OE2 GLU B 157 10.844 -11.836 -0.529 1.00 1.90 O ATOM 0 H GLU B 157 10.020 -10.297 5.274 1.00 0.52 H new ATOM 0 HA GLU B 157 11.850 -9.202 3.357 1.00 0.50 H new ATOM 0 HB2 GLU B 157 10.794 -11.444 3.164 1.00 0.56 H new ATOM 0 HB3 GLU B 157 9.210 -10.708 3.023 1.00 0.56 H new ATOM 0 HG2 GLU B 157 9.570 -10.009 0.838 1.00 0.79 H new ATOM 0 HG3 GLU B 157 11.264 -9.655 1.117 1.00 0.79 H new ATOM 405 N SER B 158 8.886 -7.799 3.564 1.00 0.45 N ATOM 406 CA SER B 158 8.119 -6.607 3.104 1.00 0.45 C ATOM 407 C SER B 158 8.997 -5.360 3.226 1.00 0.39 C ATOM 408 O SER B 158 9.232 -4.658 2.262 1.00 0.39 O ATOM 409 CB SER B 158 6.871 -6.438 3.972 1.00 0.51 C ATOM 410 OG SER B 158 5.839 -5.841 3.199 1.00 1.26 O ATOM 0 H SER B 158 8.441 -8.344 4.302 1.00 0.45 H new ATOM 0 HA SER B 158 7.822 -6.744 2.064 1.00 0.45 H new ATOM 0 HB2 SER B 158 6.544 -7.406 4.351 1.00 0.51 H new ATOM 0 HB3 SER B 158 7.098 -5.817 4.838 1.00 0.51 H new ATOM 0 HG SER B 158 5.356 -5.187 3.747 1.00 1.26 H new ATOM 416 N GLU B 159 9.487 -5.081 4.402 1.00 0.39 N ATOM 417 CA GLU B 159 10.352 -3.883 4.584 1.00 0.38 C ATOM 418 C GLU B 159 11.659 -4.080 3.814 1.00 0.37 C ATOM 419 O GLU B 159 12.349 -3.134 3.491 1.00 0.41 O ATOM 420 CB GLU B 159 10.656 -3.697 6.071 1.00 0.44 C ATOM 421 CG GLU B 159 9.586 -2.806 6.705 1.00 0.55 C ATOM 422 CD GLU B 159 9.879 -2.636 8.197 1.00 0.99 C ATOM 423 OE1 GLU B 159 11.029 -2.786 8.575 1.00 1.75 O ATOM 424 OE2 GLU B 159 8.949 -2.358 8.935 1.00 1.50 O ATOM 0 H GLU B 159 9.325 -5.632 5.245 1.00 0.39 H new ATOM 0 HA GLU B 159 9.838 -2.999 4.206 1.00 0.38 H new ATOM 0 HB2 GLU B 159 10.681 -4.665 6.571 1.00 0.44 H new ATOM 0 HB3 GLU B 159 11.641 -3.247 6.198 1.00 0.44 H new ATOM 0 HG2 GLU B 159 9.571 -1.833 6.214 1.00 0.55 H new ATOM 0 HG3 GLU B 159 8.600 -3.249 6.566 1.00 0.55 H new ATOM 431 N ARG B 160 12.004 -5.303 3.517 1.00 0.41 N ATOM 432 CA ARG B 160 13.265 -5.563 2.768 1.00 0.44 C ATOM 433 C ARG B 160 13.039 -5.294 1.279 1.00 0.45 C ATOM 434 O ARG B 160 13.972 -5.104 0.524 1.00 0.51 O ATOM 435 CB ARG B 160 13.681 -7.021 2.961 1.00 0.49 C ATOM 436 CG ARG B 160 15.165 -7.086 3.330 1.00 0.63 C ATOM 437 CD ARG B 160 15.656 -8.530 3.215 1.00 1.21 C ATOM 438 NE ARG B 160 15.086 -9.153 1.987 1.00 1.33 N ATOM 439 CZ ARG B 160 15.782 -9.173 0.883 1.00 1.55 C ATOM 440 NH1 ARG B 160 17.028 -9.561 0.904 1.00 2.17 N ATOM 441 NH2 ARG B 160 15.232 -8.806 -0.241 1.00 1.68 N ATOM 0 H ARG B 160 11.466 -6.134 3.761 1.00 0.41 H new ATOM 0 HA ARG B 160 14.050 -4.907 3.142 1.00 0.44 H new ATOM 0 HB2 ARG B 160 13.080 -7.480 3.746 1.00 0.49 H new ATOM 0 HB3 ARG B 160 13.498 -7.586 2.047 1.00 0.49 H new ATOM 0 HG2 ARG B 160 15.744 -6.440 2.670 1.00 0.63 H new ATOM 0 HG3 ARG B 160 15.315 -6.719 4.346 1.00 0.63 H new ATOM 0 HD2 ARG B 160 16.745 -8.553 3.175 1.00 1.21 H new ATOM 0 HD3 ARG B 160 15.357 -9.098 4.096 1.00 1.21 H new ATOM 0 HE ARG B 160 14.153 -9.564 2.009 1.00 1.33 H new ATOM 0 HH11 ARG B 160 17.458 -9.849 1.783 1.00 2.17 H new ATOM 0 HH12 ARG B 160 17.572 -9.577 0.041 1.00 2.17 H new ATOM 0 HH21 ARG B 160 14.258 -8.503 -0.257 1.00 1.68 H new ATOM 0 HH22 ARG B 160 15.776 -8.822 -1.104 1.00 1.68 H new ATOM 455 N LEU B 161 11.807 -5.279 0.850 1.00 0.43 N ATOM 456 CA LEU B 161 11.523 -5.027 -0.590 1.00 0.49 C ATOM 457 C LEU B 161 11.396 -3.522 -0.831 1.00 0.48 C ATOM 458 O LEU B 161 11.832 -3.006 -1.841 1.00 0.59 O ATOM 459 CB LEU B 161 10.214 -5.716 -0.980 1.00 0.52 C ATOM 460 CG LEU B 161 10.499 -7.156 -1.409 1.00 0.61 C ATOM 461 CD1 LEU B 161 9.199 -7.820 -1.866 1.00 0.69 C ATOM 462 CD2 LEU B 161 11.502 -7.156 -2.564 1.00 0.70 C ATOM 0 H LEU B 161 10.985 -5.430 1.435 1.00 0.43 H new ATOM 0 HA LEU B 161 12.338 -5.424 -1.194 1.00 0.49 H new ATOM 0 HB2 LEU B 161 9.522 -5.707 -0.138 1.00 0.52 H new ATOM 0 HB3 LEU B 161 9.733 -5.172 -1.793 1.00 0.52 H new ATOM 0 HG LEU B 161 10.914 -7.709 -0.566 1.00 0.61 H new ATOM 0 HD11 LEU B 161 9.403 -8.846 -2.172 1.00 0.69 H new ATOM 0 HD12 LEU B 161 8.483 -7.821 -1.044 1.00 0.69 H new ATOM 0 HD13 LEU B 161 8.784 -7.266 -2.708 1.00 0.69 H new ATOM 0 HD21 LEU B 161 11.705 -8.182 -2.870 1.00 0.70 H new ATOM 0 HD22 LEU B 161 11.087 -6.602 -3.406 1.00 0.70 H new ATOM 0 HD23 LEU B 161 12.430 -6.684 -2.240 1.00 0.70 H new ATOM 474 N LEU B 162 10.797 -2.814 0.086 1.00 0.41 N ATOM 475 CA LEU B 162 10.639 -1.343 -0.095 1.00 0.42 C ATOM 476 C LEU B 162 11.917 -0.630 0.352 1.00 0.47 C ATOM 477 O LEU B 162 12.238 0.442 -0.122 1.00 0.65 O ATOM 478 CB LEU B 162 9.458 -0.853 0.743 1.00 0.40 C ATOM 479 CG LEU B 162 8.180 -1.553 0.278 1.00 0.38 C ATOM 480 CD1 LEU B 162 7.204 -1.668 1.451 1.00 0.39 C ATOM 481 CD2 LEU B 162 7.532 -0.738 -0.844 1.00 0.42 C ATOM 0 H LEU B 162 10.410 -3.189 0.952 1.00 0.41 H new ATOM 0 HA LEU B 162 10.455 -1.124 -1.147 1.00 0.42 H new ATOM 0 HB2 LEU B 162 9.636 -1.060 1.798 1.00 0.40 H new ATOM 0 HB3 LEU B 162 9.351 0.227 0.644 1.00 0.40 H new ATOM 0 HG LEU B 162 8.426 -2.549 -0.090 1.00 0.38 H new ATOM 0 HD11 LEU B 162 6.293 -2.167 1.119 1.00 0.39 H new ATOM 0 HD12 LEU B 162 7.664 -2.247 2.252 1.00 0.39 H new ATOM 0 HD13 LEU B 162 6.958 -0.672 1.819 1.00 0.39 H new ATOM 0 HD21 LEU B 162 6.621 -1.236 -1.176 1.00 0.42 H new ATOM 0 HD22 LEU B 162 7.287 0.258 -0.475 1.00 0.42 H new ATOM 0 HD23 LEU B 162 8.226 -0.655 -1.681 1.00 0.42 H new ATOM 493 N LEU B 163 12.650 -1.214 1.260 1.00 0.40 N ATOM 494 CA LEU B 163 13.905 -0.567 1.733 1.00 0.45 C ATOM 495 C LEU B 163 15.066 -0.981 0.826 1.00 0.58 C ATOM 496 O LEU B 163 16.016 -1.599 1.262 1.00 0.93 O ATOM 497 CB LEU B 163 14.196 -1.011 3.167 1.00 0.43 C ATOM 498 CG LEU B 163 13.130 -0.444 4.105 1.00 0.45 C ATOM 499 CD1 LEU B 163 13.438 -0.865 5.543 1.00 0.60 C ATOM 500 CD2 LEU B 163 13.130 1.084 4.012 1.00 0.49 C ATOM 0 H LEU B 163 12.434 -2.111 1.694 1.00 0.40 H new ATOM 0 HA LEU B 163 13.789 0.516 1.703 1.00 0.45 H new ATOM 0 HB2 LEU B 163 14.206 -2.099 3.227 1.00 0.43 H new ATOM 0 HB3 LEU B 163 15.184 -0.666 3.472 1.00 0.43 H new ATOM 0 HG LEU B 163 12.152 -0.827 3.816 1.00 0.45 H new ATOM 0 HD11 LEU B 163 12.678 -0.461 6.211 1.00 0.60 H new ATOM 0 HD12 LEU B 163 13.439 -1.953 5.611 1.00 0.60 H new ATOM 0 HD13 LEU B 163 14.417 -0.482 5.833 1.00 0.60 H new ATOM 0 HD21 LEU B 163 12.370 1.489 4.680 1.00 0.49 H new ATOM 0 HD22 LEU B 163 14.109 1.466 4.301 1.00 0.49 H new ATOM 0 HD23 LEU B 163 12.911 1.386 2.988 1.00 0.49 H new ATOM 512 N ASN B 164 14.997 -0.646 -0.434 1.00 0.66 N ATOM 513 CA ASN B 164 16.097 -1.021 -1.365 1.00 0.79 C ATOM 514 C ASN B 164 16.707 0.243 -1.972 1.00 0.88 C ATOM 515 O ASN B 164 16.006 1.122 -2.434 1.00 1.35 O ATOM 516 CB ASN B 164 15.541 -1.906 -2.483 1.00 0.88 C ATOM 517 CG ASN B 164 16.280 -3.245 -2.493 1.00 1.03 C ATOM 518 OD1 ASN B 164 17.329 -3.369 -3.094 1.00 1.33 O ATOM 519 ND2 ASN B 164 15.775 -4.259 -1.846 1.00 1.59 N ATOM 0 H ASN B 164 14.226 -0.129 -0.858 1.00 0.66 H new ATOM 0 HA ASN B 164 16.865 -1.567 -0.817 1.00 0.79 H new ATOM 0 HB2 ASN B 164 14.474 -2.069 -2.334 1.00 0.88 H new ATOM 0 HB3 ASN B 164 15.656 -1.408 -3.446 1.00 0.88 H new ATOM 0 HD21 ASN B 164 16.261 -5.156 -1.844 1.00 1.59 H new ATOM 0 HD22 ASN B 164 14.895 -4.155 -1.342 1.00 1.59 H new ATOM 526 N ALA B 165 18.007 0.340 -1.977 1.00 0.96 N ATOM 527 CA ALA B 165 18.663 1.546 -2.555 1.00 1.04 C ATOM 528 C ALA B 165 18.353 1.629 -4.052 1.00 1.04 C ATOM 529 O ALA B 165 18.570 2.643 -4.685 1.00 1.26 O ATOM 530 CB ALA B 165 20.176 1.450 -2.352 1.00 1.27 C ATOM 0 H ALA B 165 18.644 -0.364 -1.605 1.00 0.96 H new ATOM 0 HA ALA B 165 18.285 2.439 -2.056 1.00 1.04 H new ATOM 0 HB1 ALA B 165 20.657 2.332 -2.775 1.00 1.27 H new ATOM 0 HB2 ALA B 165 20.397 1.392 -1.286 1.00 1.27 H new ATOM 0 HB3 ALA B 165 20.554 0.557 -2.850 1.00 1.27 H new ATOM 536 N GLU B 166 17.847 0.570 -4.623 1.00 1.01 N ATOM 537 CA GLU B 166 17.523 0.591 -6.077 1.00 1.06 C ATOM 538 C GLU B 166 16.056 0.980 -6.265 1.00 0.90 C ATOM 539 O GLU B 166 15.654 1.434 -7.318 1.00 1.15 O ATOM 540 CB GLU B 166 17.764 -0.797 -6.674 1.00 1.27 C ATOM 541 CG GLU B 166 19.254 -0.973 -6.973 1.00 1.47 C ATOM 542 CD GLU B 166 19.476 -2.301 -7.700 1.00 1.68 C ATOM 543 OE1 GLU B 166 18.511 -2.838 -8.220 1.00 2.37 O ATOM 544 OE2 GLU B 166 20.607 -2.759 -7.724 1.00 2.02 O ATOM 0 H GLU B 166 17.644 -0.308 -4.145 1.00 1.01 H new ATOM 0 HA GLU B 166 18.160 1.318 -6.581 1.00 1.06 H new ATOM 0 HB2 GLU B 166 17.428 -1.567 -5.979 1.00 1.27 H new ATOM 0 HB3 GLU B 166 17.182 -0.917 -7.588 1.00 1.27 H new ATOM 0 HG2 GLU B 166 19.613 -0.146 -7.586 1.00 1.47 H new ATOM 0 HG3 GLU B 166 19.826 -0.954 -6.046 1.00 1.47 H new ATOM 551 N ASN B 167 15.252 0.805 -5.252 1.00 0.79 N ATOM 552 CA ASN B 167 13.812 1.165 -5.373 1.00 0.66 C ATOM 553 C ASN B 167 13.669 2.695 -5.372 1.00 0.62 C ATOM 554 O ASN B 167 14.275 3.364 -4.558 1.00 0.76 O ATOM 555 CB ASN B 167 13.042 0.583 -4.186 1.00 0.68 C ATOM 556 CG ASN B 167 12.576 -0.835 -4.523 1.00 0.64 C ATOM 557 OD1 ASN B 167 13.016 -1.417 -5.494 1.00 0.99 O ATOM 558 ND2 ASN B 167 11.698 -1.420 -3.754 1.00 0.61 N ATOM 0 H ASN B 167 15.531 0.428 -4.346 1.00 0.79 H new ATOM 0 HA ASN B 167 13.411 0.760 -6.302 1.00 0.66 H new ATOM 0 HB2 ASN B 167 13.677 0.567 -3.300 1.00 0.68 H new ATOM 0 HB3 ASN B 167 12.184 1.213 -3.952 1.00 0.68 H new ATOM 0 HD21 ASN B 167 11.382 -2.366 -3.969 1.00 0.61 H new ATOM 0 HD22 ASN B 167 11.328 -0.931 -2.938 1.00 0.61 H new ATOM 565 N PRO B 168 12.871 3.209 -6.280 1.00 0.59 N ATOM 566 CA PRO B 168 12.639 4.659 -6.394 1.00 0.68 C ATOM 567 C PRO B 168 11.639 5.123 -5.332 1.00 0.60 C ATOM 568 O PRO B 168 10.781 4.375 -4.907 1.00 0.71 O ATOM 569 CB PRO B 168 12.052 4.821 -7.799 1.00 0.87 C ATOM 570 CG PRO B 168 11.455 3.446 -8.183 1.00 0.87 C ATOM 571 CD PRO B 168 12.131 2.402 -7.274 1.00 0.69 C ATOM 0 HA PRO B 168 13.542 5.250 -6.244 1.00 0.68 H new ATOM 0 HB2 PRO B 168 11.285 5.595 -7.813 1.00 0.87 H new ATOM 0 HB3 PRO B 168 12.822 5.122 -8.509 1.00 0.87 H new ATOM 0 HG2 PRO B 168 10.374 3.440 -8.042 1.00 0.87 H new ATOM 0 HG3 PRO B 168 11.641 3.223 -9.234 1.00 0.87 H new ATOM 0 HD2 PRO B 168 11.396 1.756 -6.794 1.00 0.69 H new ATOM 0 HD3 PRO B 168 12.801 1.756 -7.840 1.00 0.69 H new ATOM 579 N ARG B 169 11.740 6.350 -4.900 1.00 0.65 N ATOM 580 CA ARG B 169 10.790 6.854 -3.869 1.00 0.63 C ATOM 581 C ARG B 169 9.372 6.855 -4.443 1.00 0.59 C ATOM 582 O ARG B 169 9.071 7.574 -5.375 1.00 1.08 O ATOM 583 CB ARG B 169 11.178 8.279 -3.467 1.00 0.80 C ATOM 584 CG ARG B 169 10.202 8.793 -2.407 1.00 0.76 C ATOM 585 CD ARG B 169 10.329 10.313 -2.288 1.00 1.09 C ATOM 586 NE ARG B 169 10.393 10.914 -3.650 1.00 1.54 N ATOM 587 CZ ARG B 169 11.096 11.994 -3.854 1.00 1.78 C ATOM 588 NH1 ARG B 169 12.391 11.912 -3.997 1.00 2.34 N ATOM 589 NH2 ARG B 169 10.505 13.156 -3.914 1.00 2.23 N ATOM 0 H ARG B 169 12.438 7.024 -5.216 1.00 0.65 H new ATOM 0 HA ARG B 169 10.829 6.207 -2.992 1.00 0.63 H new ATOM 0 HB2 ARG B 169 12.196 8.294 -3.077 1.00 0.80 H new ATOM 0 HB3 ARG B 169 11.161 8.932 -4.340 1.00 0.80 H new ATOM 0 HG2 ARG B 169 9.181 8.523 -2.677 1.00 0.76 H new ATOM 0 HG3 ARG B 169 10.413 8.324 -1.446 1.00 0.76 H new ATOM 0 HD2 ARG B 169 9.478 10.718 -1.740 1.00 1.09 H new ATOM 0 HD3 ARG B 169 11.225 10.571 -1.723 1.00 1.09 H new ATOM 0 HE ARG B 169 9.887 10.481 -4.423 1.00 1.54 H new ATOM 0 HH11 ARG B 169 12.853 11.004 -3.949 1.00 2.34 H new ATOM 0 HH12 ARG B 169 12.941 12.756 -4.157 1.00 2.34 H new ATOM 0 HH21 ARG B 169 9.493 13.220 -3.801 1.00 2.23 H new ATOM 0 HH22 ARG B 169 11.055 14.000 -4.073 1.00 2.23 H new ATOM 603 N GLY B 170 8.500 6.054 -3.897 1.00 0.48 N ATOM 604 CA GLY B 170 7.103 6.009 -4.415 1.00 0.40 C ATOM 605 C GLY B 170 6.718 4.564 -4.745 1.00 0.33 C ATOM 606 O GLY B 170 5.622 4.293 -5.194 1.00 0.39 O ATOM 0 H GLY B 170 8.694 5.429 -3.115 1.00 0.48 H new ATOM 0 HA2 GLY B 170 6.417 6.417 -3.673 1.00 0.40 H new ATOM 0 HA3 GLY B 170 7.016 6.631 -5.306 1.00 0.40 H new ATOM 610 N THR B 171 7.607 3.632 -4.526 1.00 0.28 N ATOM 611 CA THR B 171 7.284 2.209 -4.828 1.00 0.25 C ATOM 612 C THR B 171 6.323 1.672 -3.766 1.00 0.22 C ATOM 613 O THR B 171 6.501 1.894 -2.585 1.00 0.26 O ATOM 614 CB THR B 171 8.571 1.381 -4.819 1.00 0.29 C ATOM 615 OG1 THR B 171 9.547 2.017 -5.632 1.00 0.41 O ATOM 616 CG2 THR B 171 8.284 -0.019 -5.364 1.00 0.40 C ATOM 0 H THR B 171 8.542 3.795 -4.151 1.00 0.28 H new ATOM 0 HA THR B 171 6.817 2.141 -5.810 1.00 0.25 H new ATOM 0 HB THR B 171 8.944 1.301 -3.798 1.00 0.29 H new ATOM 0 HG1 THR B 171 9.901 2.802 -5.165 1.00 0.41 H new ATOM 0 HG21 THR B 171 9.202 -0.607 -5.357 1.00 0.40 H new ATOM 0 HG22 THR B 171 7.536 -0.506 -4.739 1.00 0.40 H new ATOM 0 HG23 THR B 171 7.910 0.058 -6.385 1.00 0.40 H new ATOM 624 N PHE B 172 5.304 0.967 -4.176 1.00 0.21 N ATOM 625 CA PHE B 172 4.334 0.419 -3.187 1.00 0.19 C ATOM 626 C PHE B 172 4.049 -1.049 -3.511 1.00 0.19 C ATOM 627 O PHE B 172 4.576 -1.600 -4.457 1.00 0.20 O ATOM 628 CB PHE B 172 3.031 1.219 -3.255 1.00 0.22 C ATOM 629 CG PHE B 172 2.403 1.046 -4.617 1.00 0.25 C ATOM 630 CD1 PHE B 172 2.875 1.796 -5.709 1.00 1.27 C ATOM 631 CD2 PHE B 172 1.347 0.136 -4.794 1.00 1.21 C ATOM 632 CE1 PHE B 172 2.290 1.635 -6.976 1.00 1.29 C ATOM 633 CE2 PHE B 172 0.763 -0.024 -6.062 1.00 1.23 C ATOM 634 CZ PHE B 172 1.234 0.725 -7.153 1.00 0.41 C ATOM 0 H PHE B 172 5.102 0.747 -5.151 1.00 0.21 H new ATOM 0 HA PHE B 172 4.755 0.494 -2.184 1.00 0.19 H new ATOM 0 HB2 PHE B 172 2.343 0.880 -2.480 1.00 0.22 H new ATOM 0 HB3 PHE B 172 3.229 2.274 -3.066 1.00 0.22 H new ATOM 0 HD1 PHE B 172 3.687 2.495 -5.574 1.00 1.27 H new ATOM 0 HD2 PHE B 172 0.984 -0.440 -3.956 1.00 1.21 H new ATOM 0 HE1 PHE B 172 2.652 2.211 -7.815 1.00 1.29 H new ATOM 0 HE2 PHE B 172 -0.049 -0.723 -6.198 1.00 1.23 H new ATOM 0 HZ PHE B 172 0.785 0.602 -8.127 1.00 0.41 H new ATOM 644 N LEU B 173 3.217 -1.685 -2.733 1.00 0.21 N ATOM 645 CA LEU B 173 2.898 -3.117 -2.996 1.00 0.25 C ATOM 646 C LEU B 173 1.704 -3.538 -2.137 1.00 0.25 C ATOM 647 O LEU B 173 1.663 -3.288 -0.949 1.00 0.39 O ATOM 648 CB LEU B 173 4.110 -3.982 -2.644 1.00 0.28 C ATOM 649 CG LEU B 173 4.343 -3.946 -1.134 1.00 0.34 C ATOM 650 CD1 LEU B 173 3.545 -5.068 -0.467 1.00 0.50 C ATOM 651 CD2 LEU B 173 5.833 -4.140 -0.844 1.00 0.44 C ATOM 0 H LEU B 173 2.744 -1.276 -1.927 1.00 0.21 H new ATOM 0 HA LEU B 173 2.652 -3.248 -4.050 1.00 0.25 H new ATOM 0 HB2 LEU B 173 3.945 -5.008 -2.973 1.00 0.28 H new ATOM 0 HB3 LEU B 173 4.994 -3.618 -3.168 1.00 0.28 H new ATOM 0 HG LEU B 173 4.017 -2.984 -0.739 1.00 0.34 H new ATOM 0 HD11 LEU B 173 3.711 -5.042 0.610 1.00 0.50 H new ATOM 0 HD12 LEU B 173 2.483 -4.932 -0.674 1.00 0.50 H new ATOM 0 HD13 LEU B 173 3.871 -6.030 -0.861 1.00 0.50 H new ATOM 0 HD21 LEU B 173 6.000 -4.114 0.233 1.00 0.44 H new ATOM 0 HD22 LEU B 173 6.158 -5.102 -1.239 1.00 0.44 H new ATOM 0 HD23 LEU B 173 6.403 -3.341 -1.319 1.00 0.44 H new ATOM 663 N VAL B 174 0.730 -4.173 -2.729 1.00 0.22 N ATOM 664 CA VAL B 174 -0.462 -4.607 -1.947 1.00 0.24 C ATOM 665 C VAL B 174 -0.346 -6.099 -1.624 1.00 0.24 C ATOM 666 O VAL B 174 -0.153 -6.920 -2.499 1.00 0.38 O ATOM 667 CB VAL B 174 -1.728 -4.360 -2.769 1.00 0.29 C ATOM 668 CG1 VAL B 174 -2.940 -4.302 -1.837 1.00 0.42 C ATOM 669 CG2 VAL B 174 -1.597 -3.031 -3.516 1.00 0.34 C ATOM 0 H VAL B 174 0.708 -4.410 -3.721 1.00 0.22 H new ATOM 0 HA VAL B 174 -0.514 -4.038 -1.019 1.00 0.24 H new ATOM 0 HB VAL B 174 -1.860 -5.171 -3.486 1.00 0.29 H new ATOM 0 HG11 VAL B 174 -3.842 -4.126 -2.423 1.00 0.42 H new ATOM 0 HG12 VAL B 174 -3.034 -5.247 -1.302 1.00 0.42 H new ATOM 0 HG13 VAL B 174 -2.809 -3.491 -1.120 1.00 0.42 H new ATOM 0 HG21 VAL B 174 -2.498 -2.853 -4.103 1.00 0.34 H new ATOM 0 HG22 VAL B 174 -1.465 -2.221 -2.798 1.00 0.34 H new ATOM 0 HG23 VAL B 174 -0.734 -3.071 -4.180 1.00 0.34 H new ATOM 679 N ARG B 175 -0.461 -6.456 -0.374 1.00 0.29 N ATOM 680 CA ARG B 175 -0.357 -7.894 0.003 1.00 0.35 C ATOM 681 C ARG B 175 -1.567 -8.287 0.853 1.00 0.35 C ATOM 682 O ARG B 175 -2.497 -7.523 1.017 1.00 0.51 O ATOM 683 CB ARG B 175 0.926 -8.119 0.807 1.00 0.44 C ATOM 684 CG ARG B 175 0.933 -7.193 2.025 1.00 0.56 C ATOM 685 CD ARG B 175 1.982 -7.678 3.029 1.00 1.11 C ATOM 686 NE ARG B 175 2.799 -6.520 3.490 1.00 1.12 N ATOM 687 CZ ARG B 175 2.886 -6.249 4.764 1.00 1.86 C ATOM 688 NH1 ARG B 175 1.888 -5.675 5.378 1.00 2.53 N ATOM 689 NH2 ARG B 175 3.971 -6.551 5.422 1.00 2.63 N ATOM 0 H ARG B 175 -0.622 -5.814 0.402 1.00 0.29 H new ATOM 0 HA ARG B 175 -0.333 -8.505 -0.899 1.00 0.35 H new ATOM 0 HB2 ARG B 175 0.990 -9.159 1.127 1.00 0.44 H new ATOM 0 HB3 ARG B 175 1.798 -7.923 0.183 1.00 0.44 H new ATOM 0 HG2 ARG B 175 1.154 -6.171 1.717 1.00 0.56 H new ATOM 0 HG3 ARG B 175 -0.052 -7.179 2.491 1.00 0.56 H new ATOM 0 HD2 ARG B 175 1.494 -8.155 3.879 1.00 1.11 H new ATOM 0 HD3 ARG B 175 2.623 -8.429 2.567 1.00 1.11 H new ATOM 0 HE ARG B 175 3.290 -5.939 2.810 1.00 1.12 H new ATOM 0 HH11 ARG B 175 1.040 -5.438 4.863 1.00 2.53 H new ATOM 0 HH12 ARG B 175 1.956 -5.463 6.373 1.00 2.53 H new ATOM 0 HH21 ARG B 175 4.751 -6.999 4.941 1.00 2.63 H new ATOM 0 HH22 ARG B 175 4.039 -6.339 6.417 1.00 2.63 H new ATOM 703 N GLU B 176 -1.562 -9.474 1.395 1.00 0.34 N ATOM 704 CA GLU B 176 -2.712 -9.915 2.234 1.00 0.41 C ATOM 705 C GLU B 176 -2.528 -9.397 3.662 1.00 0.49 C ATOM 706 O GLU B 176 -1.428 -9.111 4.092 1.00 0.68 O ATOM 707 CB GLU B 176 -2.776 -11.444 2.249 1.00 0.50 C ATOM 708 CG GLU B 176 -4.199 -11.900 1.918 1.00 0.94 C ATOM 709 CD GLU B 176 -4.251 -13.428 1.883 1.00 1.40 C ATOM 710 OE1 GLU B 176 -4.390 -14.021 2.940 1.00 1.94 O ATOM 711 OE2 GLU B 176 -4.152 -13.980 0.799 1.00 2.01 O ATOM 0 H GLU B 176 -0.812 -10.157 1.293 1.00 0.34 H new ATOM 0 HA GLU B 176 -3.639 -9.518 1.820 1.00 0.41 H new ATOM 0 HB2 GLU B 176 -2.073 -11.855 1.524 1.00 0.50 H new ATOM 0 HB3 GLU B 176 -2.481 -11.821 3.228 1.00 0.50 H new ATOM 0 HG2 GLU B 176 -4.897 -11.519 2.664 1.00 0.94 H new ATOM 0 HG3 GLU B 176 -4.508 -11.493 0.955 1.00 0.94 H new ATOM 718 N SER B 177 -3.597 -9.273 4.399 1.00 0.67 N ATOM 719 CA SER B 177 -3.484 -8.771 5.798 1.00 0.82 C ATOM 720 C SER B 177 -2.761 -9.808 6.659 1.00 0.74 C ATOM 721 O SER B 177 -3.269 -10.882 6.914 1.00 1.56 O ATOM 722 CB SER B 177 -4.881 -8.524 6.366 1.00 1.18 C ATOM 723 OG SER B 177 -5.795 -9.443 5.781 1.00 2.06 O ATOM 0 H SER B 177 -4.544 -9.497 4.093 1.00 0.67 H new ATOM 0 HA SER B 177 -2.919 -7.839 5.802 1.00 0.82 H new ATOM 0 HB2 SER B 177 -4.872 -8.642 7.450 1.00 1.18 H new ATOM 0 HB3 SER B 177 -5.194 -7.501 6.160 1.00 1.18 H new ATOM 0 HG SER B 177 -6.011 -9.154 4.870 1.00 2.06 H new ATOM 729 N GLU B 178 -1.578 -9.494 7.113 1.00 0.68 N ATOM 730 CA GLU B 178 -0.825 -10.460 7.962 1.00 0.72 C ATOM 731 C GLU B 178 -1.278 -10.313 9.416 1.00 0.74 C ATOM 732 O GLU B 178 -1.428 -11.284 10.132 1.00 0.93 O ATOM 733 CB GLU B 178 0.673 -10.164 7.863 1.00 1.06 C ATOM 734 CG GLU B 178 1.331 -11.161 6.906 1.00 0.84 C ATOM 735 CD GLU B 178 2.621 -11.695 7.532 1.00 1.70 C ATOM 736 OE1 GLU B 178 3.065 -11.117 8.510 1.00 2.34 O ATOM 737 OE2 GLU B 178 3.142 -12.673 7.023 1.00 2.38 O ATOM 0 H GLU B 178 -1.101 -8.611 6.933 1.00 0.68 H new ATOM 0 HA GLU B 178 -1.018 -11.477 7.619 1.00 0.72 H new ATOM 0 HB2 GLU B 178 0.830 -9.146 7.508 1.00 1.06 H new ATOM 0 HB3 GLU B 178 1.133 -10.232 8.849 1.00 1.06 H new ATOM 0 HG2 GLU B 178 0.648 -11.984 6.696 1.00 0.84 H new ATOM 0 HG3 GLU B 178 1.549 -10.677 5.954 1.00 0.84 H new ATOM 744 N THR B 179 -1.491 -9.104 9.858 1.00 0.71 N ATOM 745 CA THR B 179 -1.926 -8.887 11.261 1.00 0.80 C ATOM 746 C THR B 179 -3.421 -8.557 11.294 1.00 0.82 C ATOM 747 O THR B 179 -4.062 -8.645 12.323 1.00 1.14 O ATOM 748 CB THR B 179 -1.132 -7.721 11.848 1.00 0.89 C ATOM 749 OG1 THR B 179 -1.507 -6.518 11.193 1.00 1.11 O ATOM 750 CG2 THR B 179 0.363 -7.971 11.645 1.00 0.91 C ATOM 0 H THR B 179 -1.381 -8.255 9.303 1.00 0.71 H new ATOM 0 HA THR B 179 -1.749 -9.790 11.846 1.00 0.80 H new ATOM 0 HB THR B 179 -1.343 -7.634 12.914 1.00 0.89 H new ATOM 0 HG1 THR B 179 -1.000 -5.769 11.570 1.00 1.11 H new ATOM 0 HG21 THR B 179 0.931 -7.140 12.063 1.00 0.91 H new ATOM 0 HG22 THR B 179 0.649 -8.895 12.147 1.00 0.91 H new ATOM 0 HG23 THR B 179 0.576 -8.056 10.579 1.00 0.91 H new ATOM 758 N THR B 180 -3.983 -8.178 10.178 1.00 0.67 N ATOM 759 CA THR B 180 -5.436 -7.844 10.153 1.00 0.74 C ATOM 760 C THR B 180 -6.240 -9.107 9.835 1.00 0.81 C ATOM 761 O THR B 180 -5.738 -10.210 9.921 1.00 1.19 O ATOM 762 CB THR B 180 -5.698 -6.784 9.080 1.00 0.78 C ATOM 763 OG1 THR B 180 -4.542 -5.971 8.929 1.00 0.95 O ATOM 764 CG2 THR B 180 -6.882 -5.912 9.499 1.00 1.00 C ATOM 0 H THR B 180 -3.500 -8.085 9.284 1.00 0.67 H new ATOM 0 HA THR B 180 -5.739 -7.455 11.125 1.00 0.74 H new ATOM 0 HB THR B 180 -5.927 -7.274 8.134 1.00 0.78 H new ATOM 0 HG1 THR B 180 -4.707 -5.293 8.241 1.00 0.95 H new ATOM 0 HG21 THR B 180 -7.067 -5.158 8.734 1.00 1.00 H new ATOM 0 HG22 THR B 180 -7.769 -6.535 9.617 1.00 1.00 H new ATOM 0 HG23 THR B 180 -6.655 -5.421 10.445 1.00 1.00 H new ATOM 772 N LYS B 181 -7.485 -8.959 9.472 1.00 1.10 N ATOM 773 CA LYS B 181 -8.314 -10.157 9.156 1.00 1.25 C ATOM 774 C LYS B 181 -9.211 -9.860 7.952 1.00 0.93 C ATOM 775 O LYS B 181 -9.878 -8.846 7.895 1.00 1.43 O ATOM 776 CB LYS B 181 -9.183 -10.508 10.366 1.00 2.03 C ATOM 777 CG LYS B 181 -8.633 -11.767 11.042 1.00 2.79 C ATOM 778 CD LYS B 181 -9.174 -11.862 12.471 1.00 3.49 C ATOM 779 CE LYS B 181 -10.663 -12.213 12.433 1.00 4.08 C ATOM 780 NZ LYS B 181 -11.094 -12.698 13.776 1.00 4.89 N ATOM 0 H LYS B 181 -7.963 -8.063 9.381 1.00 1.10 H new ATOM 0 HA LYS B 181 -7.661 -10.997 8.920 1.00 1.25 H new ATOM 0 HB2 LYS B 181 -9.193 -9.678 11.073 1.00 2.03 H new ATOM 0 HB3 LYS B 181 -10.214 -10.672 10.052 1.00 2.03 H new ATOM 0 HG2 LYS B 181 -8.921 -12.652 10.474 1.00 2.79 H new ATOM 0 HG3 LYS B 181 -7.543 -11.738 11.056 1.00 2.79 H new ATOM 0 HD2 LYS B 181 -8.625 -12.621 13.029 1.00 3.49 H new ATOM 0 HD3 LYS B 181 -9.026 -10.915 12.990 1.00 3.49 H new ATOM 0 HE2 LYS B 181 -11.247 -11.338 12.146 1.00 4.08 H new ATOM 0 HE3 LYS B 181 -10.848 -12.980 11.681 1.00 4.08 H new ATOM 0 HZ1 LYS B 181 -12.106 -12.937 13.751 1.00 4.89 H new ATOM 0 HZ2 LYS B 181 -10.545 -13.543 14.032 1.00 4.89 H new ATOM 0 HZ3 LYS B 181 -10.932 -11.953 14.483 1.00 4.89 H new ATOM 794 N GLY B 182 -9.236 -10.742 6.989 1.00 0.92 N ATOM 795 CA GLY B 182 -10.092 -10.517 5.789 1.00 1.24 C ATOM 796 C GLY B 182 -9.860 -9.106 5.246 1.00 1.07 C ATOM 797 O GLY B 182 -10.791 -8.386 4.945 1.00 1.42 O ATOM 0 H GLY B 182 -8.700 -11.610 6.982 1.00 0.92 H new ATOM 0 HA2 GLY B 182 -9.860 -11.255 5.021 1.00 1.24 H new ATOM 0 HA3 GLY B 182 -11.142 -10.648 6.050 1.00 1.24 H new ATOM 801 N ALA B 183 -8.625 -8.706 5.115 1.00 0.68 N ATOM 802 CA ALA B 183 -8.338 -7.342 4.587 1.00 0.53 C ATOM 803 C ALA B 183 -7.000 -7.354 3.846 1.00 0.44 C ATOM 804 O ALA B 183 -6.346 -8.373 3.740 1.00 0.60 O ATOM 805 CB ALA B 183 -8.270 -6.349 5.749 1.00 0.51 C ATOM 0 H ALA B 183 -7.804 -9.263 5.350 1.00 0.68 H new ATOM 0 HA ALA B 183 -9.130 -7.043 3.901 1.00 0.53 H new ATOM 0 HB1 ALA B 183 -8.060 -5.351 5.363 1.00 0.51 H new ATOM 0 HB2 ALA B 183 -9.224 -6.341 6.277 1.00 0.51 H new ATOM 0 HB3 ALA B 183 -7.478 -6.646 6.436 1.00 0.51 H new ATOM 811 N TYR B 184 -6.587 -6.228 3.331 1.00 0.39 N ATOM 812 CA TYR B 184 -5.293 -6.175 2.595 1.00 0.34 C ATOM 813 C TYR B 184 -4.389 -5.117 3.231 1.00 0.29 C ATOM 814 O TYR B 184 -4.755 -4.472 4.193 1.00 0.35 O ATOM 815 CB TYR B 184 -5.556 -5.812 1.132 1.00 0.43 C ATOM 816 CG TYR B 184 -6.325 -6.929 0.467 1.00 0.53 C ATOM 817 CD1 TYR B 184 -7.652 -7.192 0.847 1.00 1.04 C ATOM 818 CD2 TYR B 184 -5.713 -7.705 -0.532 1.00 1.58 C ATOM 819 CE1 TYR B 184 -8.367 -8.232 0.228 1.00 1.09 C ATOM 820 CE2 TYR B 184 -6.428 -8.745 -1.150 1.00 1.74 C ATOM 821 CZ TYR B 184 -7.755 -9.008 -0.770 1.00 0.95 C ATOM 822 OH TYR B 184 -8.457 -10.029 -1.378 1.00 1.19 O ATOM 0 H TYR B 184 -7.090 -5.343 3.388 1.00 0.39 H new ATOM 0 HA TYR B 184 -4.803 -7.147 2.645 1.00 0.34 H new ATOM 0 HB2 TYR B 184 -6.121 -4.882 1.073 1.00 0.43 H new ATOM 0 HB3 TYR B 184 -4.613 -5.646 0.612 1.00 0.43 H new ATOM 0 HD1 TYR B 184 -8.122 -6.595 1.614 1.00 1.04 H new ATOM 0 HD2 TYR B 184 -4.693 -7.502 -0.825 1.00 1.58 H new ATOM 0 HE1 TYR B 184 -9.387 -8.434 0.520 1.00 1.09 H new ATOM 0 HE2 TYR B 184 -5.958 -9.342 -1.917 1.00 1.74 H new ATOM 0 HH TYR B 184 -7.888 -10.465 -2.046 1.00 1.19 H new ATOM 832 N CYS B 185 -3.209 -4.934 2.702 1.00 0.30 N ATOM 833 CA CYS B 185 -2.285 -3.917 3.281 1.00 0.31 C ATOM 834 C CYS B 185 -1.484 -3.252 2.159 1.00 0.30 C ATOM 835 O CYS B 185 -0.677 -3.880 1.503 1.00 0.31 O ATOM 836 CB CYS B 185 -1.326 -4.598 4.258 1.00 0.38 C ATOM 837 SG CYS B 185 -2.246 -5.164 5.710 1.00 1.19 S ATOM 0 H CYS B 185 -2.846 -5.443 1.896 1.00 0.30 H new ATOM 0 HA CYS B 185 -2.865 -3.160 3.808 1.00 0.31 H new ATOM 0 HB2 CYS B 185 -0.835 -5.442 3.774 1.00 0.38 H new ATOM 0 HB3 CYS B 185 -0.542 -3.903 4.559 1.00 0.38 H new ATOM 0 HG CYS B 185 -3.516 -4.958 5.526 1.00 1.19 H new ATOM 843 N LEU B 186 -1.697 -1.983 1.936 1.00 0.31 N ATOM 844 CA LEU B 186 -0.945 -1.279 0.859 1.00 0.32 C ATOM 845 C LEU B 186 0.258 -0.555 1.469 1.00 0.37 C ATOM 846 O LEU B 186 0.112 0.410 2.191 1.00 0.77 O ATOM 847 CB LEU B 186 -1.863 -0.262 0.176 1.00 0.39 C ATOM 848 CG LEU B 186 -1.042 0.625 -0.763 1.00 0.40 C ATOM 849 CD1 LEU B 186 -0.492 -0.218 -1.914 1.00 0.43 C ATOM 850 CD2 LEU B 186 -1.935 1.734 -1.325 1.00 0.51 C ATOM 0 H LEU B 186 -2.359 -1.404 2.453 1.00 0.31 H new ATOM 0 HA LEU B 186 -0.598 -2.004 0.123 1.00 0.32 H new ATOM 0 HB2 LEU B 186 -2.641 -0.779 -0.385 1.00 0.39 H new ATOM 0 HB3 LEU B 186 -2.364 0.351 0.925 1.00 0.39 H new ATOM 0 HG LEU B 186 -0.213 1.068 -0.211 1.00 0.40 H new ATOM 0 HD11 LEU B 186 0.092 0.415 -2.582 1.00 0.43 H new ATOM 0 HD12 LEU B 186 0.144 -1.008 -1.515 1.00 0.43 H new ATOM 0 HD13 LEU B 186 -1.319 -0.662 -2.467 1.00 0.43 H new ATOM 0 HD21 LEU B 186 -1.352 2.367 -1.994 1.00 0.51 H new ATOM 0 HD22 LEU B 186 -2.764 1.290 -1.876 1.00 0.51 H new ATOM 0 HD23 LEU B 186 -2.326 2.336 -0.505 1.00 0.51 H new ATOM 862 N SER B 187 1.446 -1.014 1.183 1.00 0.19 N ATOM 863 CA SER B 187 2.656 -0.352 1.748 1.00 0.23 C ATOM 864 C SER B 187 3.251 0.599 0.706 1.00 0.22 C ATOM 865 O SER B 187 2.940 0.524 -0.466 1.00 0.31 O ATOM 866 CB SER B 187 3.691 -1.414 2.118 1.00 0.31 C ATOM 867 OG SER B 187 3.107 -2.344 3.021 1.00 0.58 O ATOM 0 H SER B 187 1.631 -1.818 0.583 1.00 0.19 H new ATOM 0 HA SER B 187 2.379 0.212 2.639 1.00 0.23 H new ATOM 0 HB2 SER B 187 4.038 -1.928 1.222 1.00 0.31 H new ATOM 0 HB3 SER B 187 4.563 -0.945 2.574 1.00 0.31 H new ATOM 0 HG SER B 187 3.768 -3.028 3.259 1.00 0.58 H new ATOM 873 N VAL B 188 4.107 1.492 1.125 1.00 0.20 N ATOM 874 CA VAL B 188 4.723 2.446 0.159 1.00 0.20 C ATOM 875 C VAL B 188 6.147 2.781 0.609 1.00 0.18 C ATOM 876 O VAL B 188 6.522 2.549 1.741 1.00 0.22 O ATOM 877 CB VAL B 188 3.891 3.729 0.108 1.00 0.23 C ATOM 878 CG1 VAL B 188 4.324 4.572 -1.093 1.00 0.30 C ATOM 879 CG2 VAL B 188 2.410 3.369 -0.031 1.00 0.29 C ATOM 0 H VAL B 188 4.406 1.602 2.094 1.00 0.20 H new ATOM 0 HA VAL B 188 4.752 1.991 -0.831 1.00 0.20 H new ATOM 0 HB VAL B 188 4.044 4.298 1.025 1.00 0.23 H new ATOM 0 HG11 VAL B 188 3.731 5.486 -1.129 1.00 0.30 H new ATOM 0 HG12 VAL B 188 5.379 4.828 -0.997 1.00 0.30 H new ATOM 0 HG13 VAL B 188 4.171 4.004 -2.011 1.00 0.30 H new ATOM 0 HG21 VAL B 188 1.816 4.282 -0.067 1.00 0.29 H new ATOM 0 HG22 VAL B 188 2.258 2.800 -0.948 1.00 0.29 H new ATOM 0 HG23 VAL B 188 2.100 2.768 0.824 1.00 0.29 H new ATOM 889 N SER B 189 6.943 3.326 -0.271 1.00 0.20 N ATOM 890 CA SER B 189 8.342 3.675 0.106 1.00 0.21 C ATOM 891 C SER B 189 8.529 5.192 0.027 1.00 0.22 C ATOM 892 O SER B 189 7.936 5.858 -0.798 1.00 0.29 O ATOM 893 CB SER B 189 9.315 2.991 -0.856 1.00 0.28 C ATOM 894 OG SER B 189 8.777 3.027 -2.171 1.00 0.40 O ATOM 0 H SER B 189 6.685 3.544 -1.233 1.00 0.20 H new ATOM 0 HA SER B 189 8.539 3.337 1.124 1.00 0.21 H new ATOM 0 HB2 SER B 189 10.282 3.494 -0.832 1.00 0.28 H new ATOM 0 HB3 SER B 189 9.484 1.959 -0.548 1.00 0.28 H new ATOM 0 HG SER B 189 8.052 2.372 -2.246 1.00 0.40 H new ATOM 900 N ASP B 190 9.350 5.743 0.879 1.00 0.24 N ATOM 901 CA ASP B 190 9.574 7.216 0.852 1.00 0.30 C ATOM 902 C ASP B 190 11.063 7.511 1.053 1.00 0.36 C ATOM 903 O ASP B 190 11.815 6.671 1.506 1.00 0.43 O ATOM 904 CB ASP B 190 8.768 7.874 1.974 1.00 0.39 C ATOM 905 CG ASP B 190 8.667 9.378 1.716 1.00 0.51 C ATOM 906 OD1 ASP B 190 9.644 10.068 1.956 1.00 1.21 O ATOM 907 OD2 ASP B 190 7.614 9.815 1.282 1.00 1.21 O ATOM 0 H ASP B 190 9.875 5.237 1.592 1.00 0.24 H new ATOM 0 HA ASP B 190 9.252 7.615 -0.110 1.00 0.30 H new ATOM 0 HB2 ASP B 190 7.771 7.435 2.025 1.00 0.39 H new ATOM 0 HB3 ASP B 190 9.247 7.691 2.936 1.00 0.39 H new ATOM 912 N PHE B 191 11.493 8.698 0.722 1.00 0.44 N ATOM 913 CA PHE B 191 12.933 9.044 0.895 1.00 0.52 C ATOM 914 C PHE B 191 13.055 10.481 1.408 1.00 0.66 C ATOM 915 O PHE B 191 12.352 11.369 0.968 1.00 0.70 O ATOM 916 CB PHE B 191 13.654 8.919 -0.448 1.00 0.61 C ATOM 917 CG PHE B 191 15.069 9.426 -0.308 1.00 0.72 C ATOM 918 CD1 PHE B 191 15.799 9.155 0.861 1.00 1.59 C ATOM 919 CD2 PHE B 191 15.656 10.168 -1.347 1.00 1.28 C ATOM 920 CE1 PHE B 191 17.116 9.627 0.993 1.00 1.68 C ATOM 921 CE2 PHE B 191 16.973 10.640 -1.215 1.00 1.33 C ATOM 922 CZ PHE B 191 17.703 10.369 -0.046 1.00 0.97 C ATOM 0 H PHE B 191 10.910 9.443 0.340 1.00 0.44 H new ATOM 0 HA PHE B 191 13.386 8.362 1.614 1.00 0.52 H new ATOM 0 HB2 PHE B 191 13.659 7.879 -0.775 1.00 0.61 H new ATOM 0 HB3 PHE B 191 13.125 9.490 -1.211 1.00 0.61 H new ATOM 0 HD1 PHE B 191 15.348 8.584 1.659 1.00 1.59 H new ATOM 0 HD2 PHE B 191 15.095 10.375 -2.246 1.00 1.28 H new ATOM 0 HE1 PHE B 191 17.677 9.420 1.892 1.00 1.68 H new ATOM 0 HE2 PHE B 191 17.424 11.211 -2.013 1.00 1.33 H new ATOM 0 HZ PHE B 191 18.716 10.731 0.054 1.00 0.97 H new ATOM 932 N ASP B 192 13.944 10.717 2.334 1.00 0.81 N ATOM 933 CA ASP B 192 14.110 12.096 2.872 1.00 1.00 C ATOM 934 C ASP B 192 15.576 12.520 2.749 1.00 1.07 C ATOM 935 O ASP B 192 16.470 11.697 2.735 1.00 1.06 O ATOM 936 CB ASP B 192 13.694 12.123 4.344 1.00 1.20 C ATOM 937 CG ASP B 192 12.338 12.817 4.479 1.00 1.59 C ATOM 938 OD1 ASP B 192 11.333 12.157 4.271 1.00 2.12 O ATOM 939 OD2 ASP B 192 12.326 13.998 4.787 1.00 2.16 O ATOM 0 H ASP B 192 14.562 10.015 2.741 1.00 0.81 H new ATOM 0 HA ASP B 192 13.484 12.784 2.304 1.00 1.00 H new ATOM 0 HB2 ASP B 192 13.635 11.107 4.735 1.00 1.20 H new ATOM 0 HB3 ASP B 192 14.444 12.649 4.935 1.00 1.20 H new ATOM 944 N ASN B 193 15.828 13.797 2.657 1.00 1.25 N ATOM 945 CA ASN B 193 17.233 14.272 2.533 1.00 1.40 C ATOM 946 C ASN B 193 17.805 14.550 3.925 1.00 1.58 C ATOM 947 O ASN B 193 18.415 15.573 4.163 1.00 1.95 O ATOM 948 CB ASN B 193 17.265 15.558 1.704 1.00 1.61 C ATOM 949 CG ASN B 193 17.518 15.215 0.234 1.00 2.01 C ATOM 950 OD1 ASN B 193 17.416 14.070 -0.160 1.00 2.60 O ATOM 951 ND2 ASN B 193 17.845 16.165 -0.598 1.00 2.58 N ATOM 0 H ASN B 193 15.120 14.532 2.662 1.00 1.25 H new ATOM 0 HA ASN B 193 17.832 13.506 2.041 1.00 1.40 H new ATOM 0 HB2 ASN B 193 16.320 16.092 1.806 1.00 1.61 H new ATOM 0 HB3 ASN B 193 18.047 16.221 2.073 1.00 1.61 H new ATOM 0 HD21 ASN B 193 18.015 15.947 -1.580 1.00 2.58 H new ATOM 0 HD22 ASN B 193 17.930 17.126 -0.267 1.00 2.58 H new ATOM 958 N ALA B 194 17.614 13.646 4.848 1.00 1.50 N ATOM 959 CA ALA B 194 18.148 13.861 6.223 1.00 1.83 C ATOM 960 C ALA B 194 18.612 12.525 6.805 1.00 1.55 C ATOM 961 O ALA B 194 19.674 12.425 7.387 1.00 1.56 O ATOM 962 CB ALA B 194 17.051 14.451 7.111 1.00 2.31 C ATOM 0 H ALA B 194 17.112 12.769 4.709 1.00 1.50 H new ATOM 0 HA ALA B 194 18.991 14.551 6.181 1.00 1.83 H new ATOM 0 HB1 ALA B 194 17.442 14.608 8.116 1.00 2.31 H new ATOM 0 HB2 ALA B 194 16.721 15.404 6.697 1.00 2.31 H new ATOM 0 HB3 ALA B 194 16.207 13.762 7.153 1.00 2.31 H new ATOM 968 N LYS B 195 17.824 11.496 6.653 1.00 1.51 N ATOM 969 CA LYS B 195 18.219 10.166 7.198 1.00 1.48 C ATOM 970 C LYS B 195 18.366 9.168 6.048 1.00 1.23 C ATOM 971 O LYS B 195 19.456 8.747 5.714 1.00 1.52 O ATOM 972 CB LYS B 195 17.146 9.671 8.168 1.00 1.78 C ATOM 973 CG LYS B 195 16.820 10.772 9.179 1.00 2.27 C ATOM 974 CD LYS B 195 16.463 10.139 10.525 1.00 2.82 C ATOM 975 CE LYS B 195 15.856 11.201 11.444 1.00 3.53 C ATOM 976 NZ LYS B 195 16.194 10.883 12.861 1.00 4.12 N ATOM 0 H LYS B 195 16.923 11.519 6.175 1.00 1.51 H new ATOM 0 HA LYS B 195 19.169 10.258 7.725 1.00 1.48 H new ATOM 0 HB2 LYS B 195 16.247 9.390 7.619 1.00 1.78 H new ATOM 0 HB3 LYS B 195 17.495 8.778 8.687 1.00 1.78 H new ATOM 0 HG2 LYS B 195 17.674 11.439 9.294 1.00 2.27 H new ATOM 0 HG3 LYS B 195 15.989 11.378 8.818 1.00 2.27 H new ATOM 0 HD2 LYS B 195 15.756 9.322 10.379 1.00 2.82 H new ATOM 0 HD3 LYS B 195 17.354 9.711 10.985 1.00 2.82 H new ATOM 0 HE2 LYS B 195 16.238 12.187 11.180 1.00 3.53 H new ATOM 0 HE3 LYS B 195 14.774 11.233 11.315 1.00 3.53 H new ATOM 0 HZ1 LYS B 195 15.782 11.604 13.487 1.00 4.12 H new ATOM 0 HZ2 LYS B 195 15.809 9.949 13.109 1.00 4.12 H new ATOM 0 HZ3 LYS B 195 17.227 10.873 12.978 1.00 4.12 H new ATOM 990 N GLY B 196 17.276 8.785 5.441 1.00 1.03 N ATOM 991 CA GLY B 196 17.354 7.814 4.314 1.00 0.83 C ATOM 992 C GLY B 196 15.943 7.492 3.819 1.00 0.74 C ATOM 993 O GLY B 196 15.050 8.313 3.883 1.00 0.94 O ATOM 0 H GLY B 196 16.336 9.102 5.677 1.00 1.03 H new ATOM 0 HA2 GLY B 196 17.950 8.231 3.502 1.00 0.83 H new ATOM 0 HA3 GLY B 196 17.853 6.902 4.640 1.00 0.83 H new ATOM 997 N LEU B 197 15.735 6.302 3.324 1.00 0.60 N ATOM 998 CA LEU B 197 14.382 5.930 2.825 1.00 0.59 C ATOM 999 C LEU B 197 13.660 5.091 3.882 1.00 0.54 C ATOM 1000 O LEU B 197 14.207 4.149 4.420 1.00 0.91 O ATOM 1001 CB LEU B 197 14.521 5.116 1.537 1.00 0.82 C ATOM 1002 CG LEU B 197 15.568 4.020 1.737 1.00 0.65 C ATOM 1003 CD1 LEU B 197 15.013 2.685 1.238 1.00 0.72 C ATOM 1004 CD2 LEU B 197 16.831 4.373 0.948 1.00 1.46 C ATOM 0 H LEU B 197 16.443 5.572 3.244 1.00 0.60 H new ATOM 0 HA LEU B 197 13.807 6.834 2.625 1.00 0.59 H new ATOM 0 HB2 LEU B 197 13.562 4.673 1.269 1.00 0.82 H new ATOM 0 HB3 LEU B 197 14.813 5.767 0.713 1.00 0.82 H new ATOM 0 HG LEU B 197 15.810 3.939 2.797 1.00 0.65 H new ATOM 0 HD11 LEU B 197 15.760 1.904 1.381 1.00 0.72 H new ATOM 0 HD12 LEU B 197 14.113 2.433 1.798 1.00 0.72 H new ATOM 0 HD13 LEU B 197 14.770 2.765 0.178 1.00 0.72 H new ATOM 0 HD21 LEU B 197 17.579 3.592 1.090 1.00 1.46 H new ATOM 0 HD22 LEU B 197 16.587 4.454 -0.111 1.00 1.46 H new ATOM 0 HD23 LEU B 197 17.228 5.324 1.303 1.00 1.46 H new ATOM 1016 N ASN B 198 12.435 5.426 4.183 1.00 0.35 N ATOM 1017 CA ASN B 198 11.680 4.648 5.204 1.00 0.39 C ATOM 1018 C ASN B 198 10.525 3.908 4.527 1.00 0.35 C ATOM 1019 O ASN B 198 10.318 4.020 3.335 1.00 0.56 O ATOM 1020 CB ASN B 198 11.123 5.601 6.263 1.00 0.57 C ATOM 1021 CG ASN B 198 12.157 6.687 6.567 1.00 1.23 C ATOM 1022 OD1 ASN B 198 12.820 6.644 7.584 1.00 2.10 O ATOM 1023 ND2 ASN B 198 12.324 7.666 5.721 1.00 1.21 N ATOM 0 H ASN B 198 11.925 6.205 3.766 1.00 0.35 H new ATOM 0 HA ASN B 198 12.346 3.928 5.678 1.00 0.39 H new ATOM 0 HB2 ASN B 198 10.197 6.054 5.909 1.00 0.57 H new ATOM 0 HB3 ASN B 198 10.881 5.050 7.172 1.00 0.57 H new ATOM 0 HD21 ASN B 198 13.011 8.395 5.914 1.00 1.21 H new ATOM 0 HD22 ASN B 198 11.768 7.703 4.867 1.00 1.21 H new ATOM 1030 N VAL B 199 9.770 3.152 5.276 1.00 0.25 N ATOM 1031 CA VAL B 199 8.630 2.407 4.671 1.00 0.22 C ATOM 1032 C VAL B 199 7.352 2.700 5.459 1.00 0.21 C ATOM 1033 O VAL B 199 7.264 2.430 6.640 1.00 0.30 O ATOM 1034 CB VAL B 199 8.918 0.906 4.717 1.00 0.28 C ATOM 1035 CG1 VAL B 199 7.892 0.162 3.861 1.00 0.37 C ATOM 1036 CG2 VAL B 199 10.323 0.639 4.172 1.00 0.40 C ATOM 0 H VAL B 199 9.893 3.018 6.280 1.00 0.25 H new ATOM 0 HA VAL B 199 8.502 2.723 3.636 1.00 0.22 H new ATOM 0 HB VAL B 199 8.854 0.557 5.747 1.00 0.28 H new ATOM 0 HG11 VAL B 199 8.098 -0.908 3.894 1.00 0.37 H new ATOM 0 HG12 VAL B 199 6.890 0.351 4.247 1.00 0.37 H new ATOM 0 HG13 VAL B 199 7.956 0.512 2.831 1.00 0.37 H new ATOM 0 HG21 VAL B 199 10.529 -0.431 4.205 1.00 0.40 H new ATOM 0 HG22 VAL B 199 10.386 0.989 3.142 1.00 0.40 H new ATOM 0 HG23 VAL B 199 11.056 1.168 4.781 1.00 0.40 H new ATOM 1046 N LYS B 200 6.358 3.248 4.814 1.00 0.20 N ATOM 1047 CA LYS B 200 5.087 3.553 5.527 1.00 0.23 C ATOM 1048 C LYS B 200 4.057 2.468 5.207 1.00 0.24 C ATOM 1049 O LYS B 200 3.831 2.132 4.061 1.00 0.42 O ATOM 1050 CB LYS B 200 4.561 4.914 5.067 1.00 0.28 C ATOM 1051 CG LYS B 200 5.370 6.026 5.738 1.00 0.57 C ATOM 1052 CD LYS B 200 4.520 7.296 5.825 1.00 0.89 C ATOM 1053 CE LYS B 200 5.432 8.523 5.775 1.00 1.15 C ATOM 1054 NZ LYS B 200 5.310 9.287 7.049 1.00 1.53 N ATOM 0 H LYS B 200 6.372 3.497 3.825 1.00 0.20 H new ATOM 0 HA LYS B 200 5.265 3.580 6.602 1.00 0.23 H new ATOM 0 HB2 LYS B 200 4.637 4.998 3.983 1.00 0.28 H new ATOM 0 HB3 LYS B 200 3.506 5.013 5.321 1.00 0.28 H new ATOM 0 HG2 LYS B 200 5.679 5.714 6.736 1.00 0.57 H new ATOM 0 HG3 LYS B 200 6.279 6.222 5.169 1.00 0.57 H new ATOM 0 HD2 LYS B 200 3.806 7.326 5.002 1.00 0.89 H new ATOM 0 HD3 LYS B 200 3.941 7.297 6.749 1.00 0.89 H new ATOM 0 HE2 LYS B 200 6.466 8.214 5.622 1.00 1.15 H new ATOM 0 HE3 LYS B 200 5.160 9.157 4.931 1.00 1.15 H new ATOM 0 HZ1 LYS B 200 5.930 10.121 7.014 1.00 1.53 H new ATOM 0 HZ2 LYS B 200 4.324 9.594 7.177 1.00 1.53 H new ATOM 0 HZ3 LYS B 200 5.590 8.680 7.846 1.00 1.53 H new ATOM 1068 N HIS B 201 3.435 1.911 6.210 1.00 0.28 N ATOM 1069 CA HIS B 201 2.427 0.842 5.959 1.00 0.30 C ATOM 1070 C HIS B 201 1.016 1.424 6.066 1.00 0.24 C ATOM 1071 O HIS B 201 0.636 1.978 7.078 1.00 0.30 O ATOM 1072 CB HIS B 201 2.599 -0.271 6.994 1.00 0.43 C ATOM 1073 CG HIS B 201 3.986 -0.844 6.891 1.00 0.61 C ATOM 1074 ND1 HIS B 201 4.231 -2.206 6.969 1.00 1.22 N ATOM 1075 CD2 HIS B 201 5.212 -0.251 6.717 1.00 0.98 C ATOM 1076 CE1 HIS B 201 5.558 -2.386 6.842 1.00 1.22 C ATOM 1077 NE2 HIS B 201 6.204 -1.227 6.686 1.00 0.99 N ATOM 0 H HIS B 201 3.581 2.149 7.191 1.00 0.28 H new ATOM 0 HA HIS B 201 2.573 0.437 4.958 1.00 0.30 H new ATOM 0 HB2 HIS B 201 2.430 0.121 7.997 1.00 0.43 H new ATOM 0 HB3 HIS B 201 1.858 -1.053 6.829 1.00 0.43 H new ATOM 0 HD1 HIS B 201 3.533 -2.938 7.099 1.00 1.22 H new ATOM 0 HD2 HIS B 201 5.381 0.811 6.619 1.00 0.98 H new ATOM 0 HE1 HIS B 201 6.043 -3.351 6.864 1.00 1.22 H new ATOM 1085 N TYR B 202 0.235 1.297 5.028 1.00 0.18 N ATOM 1086 CA TYR B 202 -1.154 1.834 5.066 1.00 0.15 C ATOM 1087 C TYR B 202 -2.144 0.669 5.012 1.00 0.15 C ATOM 1088 O TYR B 202 -2.589 0.267 3.955 1.00 0.19 O ATOM 1089 CB TYR B 202 -1.380 2.754 3.866 1.00 0.17 C ATOM 1090 CG TYR B 202 -0.913 4.149 4.208 1.00 0.23 C ATOM 1091 CD1 TYR B 202 0.435 4.500 4.031 1.00 1.18 C ATOM 1092 CD2 TYR B 202 -1.827 5.095 4.703 1.00 1.25 C ATOM 1093 CE1 TYR B 202 0.872 5.796 4.350 1.00 1.21 C ATOM 1094 CE2 TYR B 202 -1.390 6.392 5.023 1.00 1.30 C ATOM 1095 CZ TYR B 202 -0.041 6.742 4.846 1.00 0.51 C ATOM 1096 OH TYR B 202 0.388 8.016 5.160 1.00 0.66 O ATOM 0 H TYR B 202 0.500 0.843 4.154 1.00 0.18 H new ATOM 0 HA TYR B 202 -1.303 2.400 5.986 1.00 0.15 H new ATOM 0 HB2 TYR B 202 -0.836 2.379 2.999 1.00 0.17 H new ATOM 0 HB3 TYR B 202 -2.437 2.768 3.598 1.00 0.17 H new ATOM 0 HD1 TYR B 202 1.136 3.773 3.649 1.00 1.18 H new ATOM 0 HD2 TYR B 202 -2.864 4.826 4.837 1.00 1.25 H new ATOM 0 HE1 TYR B 202 1.909 6.065 4.214 1.00 1.21 H new ATOM 0 HE2 TYR B 202 -2.091 7.119 5.405 1.00 1.30 H new ATOM 0 HH TYR B 202 -0.369 8.544 5.489 1.00 0.66 H new ATOM 1106 N LYS B 203 -2.486 0.119 6.144 1.00 0.20 N ATOM 1107 CA LYS B 203 -3.440 -1.024 6.161 1.00 0.21 C ATOM 1108 C LYS B 203 -4.705 -0.654 5.385 1.00 0.17 C ATOM 1109 O LYS B 203 -5.318 0.367 5.626 1.00 0.18 O ATOM 1110 CB LYS B 203 -3.810 -1.357 7.609 1.00 0.29 C ATOM 1111 CG LYS B 203 -4.188 -0.072 8.348 1.00 0.30 C ATOM 1112 CD LYS B 203 -5.275 -0.378 9.381 1.00 0.62 C ATOM 1113 CE LYS B 203 -4.714 -0.172 10.789 1.00 0.71 C ATOM 1114 NZ LYS B 203 -5.799 -0.375 11.791 1.00 1.55 N ATOM 0 H LYS B 203 -2.145 0.413 7.059 1.00 0.20 H new ATOM 0 HA LYS B 203 -2.972 -1.891 5.694 1.00 0.21 H new ATOM 0 HB2 LYS B 203 -4.643 -2.060 7.630 1.00 0.29 H new ATOM 0 HB3 LYS B 203 -2.971 -1.842 8.107 1.00 0.29 H new ATOM 0 HG2 LYS B 203 -3.311 0.348 8.841 1.00 0.30 H new ATOM 0 HG3 LYS B 203 -4.545 0.676 7.640 1.00 0.30 H new ATOM 0 HD2 LYS B 203 -6.136 0.272 9.222 1.00 0.62 H new ATOM 0 HD3 LYS B 203 -5.624 -1.404 9.264 1.00 0.62 H new ATOM 0 HE2 LYS B 203 -3.899 -0.872 10.973 1.00 0.71 H new ATOM 0 HE3 LYS B 203 -4.300 0.832 10.884 1.00 0.71 H new ATOM 0 HZ1 LYS B 203 -5.418 -0.235 12.748 1.00 1.55 H new ATOM 0 HZ2 LYS B 203 -6.563 0.309 11.619 1.00 1.55 H new ATOM 0 HZ3 LYS B 203 -6.174 -1.341 11.706 1.00 1.55 H new ATOM 1128 N ILE B 204 -5.103 -1.481 4.457 1.00 0.17 N ATOM 1129 CA ILE B 204 -6.332 -1.184 3.669 1.00 0.18 C ATOM 1130 C ILE B 204 -7.540 -1.792 4.381 1.00 0.19 C ATOM 1131 O ILE B 204 -7.606 -2.984 4.605 1.00 0.32 O ATOM 1132 CB ILE B 204 -6.200 -1.790 2.270 1.00 0.23 C ATOM 1133 CG1 ILE B 204 -5.128 -1.030 1.485 1.00 0.28 C ATOM 1134 CG2 ILE B 204 -7.538 -1.684 1.536 1.00 0.26 C ATOM 1135 CD1 ILE B 204 -4.768 -1.812 0.221 1.00 0.40 C ATOM 0 H ILE B 204 -4.629 -2.350 4.211 1.00 0.17 H new ATOM 0 HA ILE B 204 -6.463 -0.105 3.581 1.00 0.18 H new ATOM 0 HB ILE B 204 -5.916 -2.839 2.356 1.00 0.23 H new ATOM 0 HG12 ILE B 204 -5.492 -0.037 1.220 1.00 0.28 H new ATOM 0 HG13 ILE B 204 -4.241 -0.889 2.103 1.00 0.28 H new ATOM 0 HG21 ILE B 204 -7.442 -2.116 0.540 1.00 0.26 H new ATOM 0 HG22 ILE B 204 -8.303 -2.225 2.094 1.00 0.26 H new ATOM 0 HG23 ILE B 204 -7.824 -0.636 1.451 1.00 0.26 H new ATOM 0 HD11 ILE B 204 -4.005 -1.270 -0.337 1.00 0.40 H new ATOM 0 HD12 ILE B 204 -4.386 -2.795 0.498 1.00 0.40 H new ATOM 0 HD13 ILE B 204 -5.656 -1.929 -0.400 1.00 0.40 H new ATOM 1147 N ARG B 205 -8.495 -0.982 4.748 1.00 0.23 N ATOM 1148 CA ARG B 205 -9.691 -1.518 5.454 1.00 0.28 C ATOM 1149 C ARG B 205 -10.650 -2.150 4.451 1.00 0.28 C ATOM 1150 O ARG B 205 -10.480 -2.043 3.252 1.00 0.29 O ATOM 1151 CB ARG B 205 -10.403 -0.386 6.192 1.00 0.35 C ATOM 1152 CG ARG B 205 -9.372 0.441 6.952 1.00 0.38 C ATOM 1153 CD ARG B 205 -9.980 0.945 8.263 1.00 0.90 C ATOM 1154 NE ARG B 205 -8.916 1.576 9.093 1.00 1.19 N ATOM 1155 CZ ARG B 205 -9.194 2.017 10.289 1.00 1.70 C ATOM 1156 NH1 ARG B 205 -9.097 1.219 11.318 1.00 2.18 N ATOM 1157 NH2 ARG B 205 -9.569 3.255 10.458 1.00 2.45 N ATOM 0 H ARG B 205 -8.498 0.026 4.590 1.00 0.23 H new ATOM 0 HA ARG B 205 -9.369 -2.275 6.169 1.00 0.28 H new ATOM 0 HB2 ARG B 205 -10.942 0.244 5.484 1.00 0.35 H new ATOM 0 HB3 ARG B 205 -11.141 -0.793 6.883 1.00 0.35 H new ATOM 0 HG2 ARG B 205 -8.488 -0.162 7.158 1.00 0.38 H new ATOM 0 HG3 ARG B 205 -9.047 1.284 6.343 1.00 0.38 H new ATOM 0 HD2 ARG B 205 -10.771 1.666 8.056 1.00 0.90 H new ATOM 0 HD3 ARG B 205 -10.437 0.118 8.806 1.00 0.90 H new ATOM 0 HE ARG B 205 -7.968 1.663 8.726 1.00 1.19 H new ATOM 0 HH11 ARG B 205 -8.804 0.251 11.187 1.00 2.18 H new ATOM 0 HH12 ARG B 205 -9.314 1.564 12.253 1.00 2.18 H new ATOM 0 HH21 ARG B 205 -9.645 3.879 9.655 1.00 2.45 H new ATOM 0 HH22 ARG B 205 -9.786 3.599 11.393 1.00 2.45 H new ATOM 1171 N LYS B 206 -11.658 -2.810 4.942 1.00 0.34 N ATOM 1172 CA LYS B 206 -12.643 -3.465 4.035 1.00 0.40 C ATOM 1173 C LYS B 206 -14.037 -3.404 4.664 1.00 0.51 C ATOM 1174 O LYS B 206 -14.247 -3.847 5.776 1.00 0.73 O ATOM 1175 CB LYS B 206 -12.240 -4.927 3.827 1.00 0.54 C ATOM 1176 CG LYS B 206 -13.358 -5.673 3.094 1.00 0.65 C ATOM 1177 CD LYS B 206 -12.746 -6.715 2.155 1.00 0.90 C ATOM 1178 CE LYS B 206 -13.800 -7.766 1.800 1.00 1.23 C ATOM 1179 NZ LYS B 206 -13.233 -9.128 2.009 1.00 1.66 N ATOM 0 H LYS B 206 -11.845 -2.926 5.938 1.00 0.34 H new ATOM 0 HA LYS B 206 -12.657 -2.948 3.075 1.00 0.40 H new ATOM 0 HB2 LYS B 206 -11.316 -4.981 3.251 1.00 0.54 H new ATOM 0 HB3 LYS B 206 -12.044 -5.400 4.789 1.00 0.54 H new ATOM 0 HG2 LYS B 206 -14.018 -6.159 3.813 1.00 0.65 H new ATOM 0 HG3 LYS B 206 -13.968 -4.970 2.526 1.00 0.65 H new ATOM 0 HD2 LYS B 206 -12.379 -6.232 1.249 1.00 0.90 H new ATOM 0 HD3 LYS B 206 -11.889 -7.191 2.632 1.00 0.90 H new ATOM 0 HE2 LYS B 206 -14.687 -7.631 2.419 1.00 1.23 H new ATOM 0 HE3 LYS B 206 -14.114 -7.646 0.763 1.00 1.23 H new ATOM 0 HZ1 LYS B 206 -13.949 -9.843 1.768 1.00 1.66 H new ATOM 0 HZ2 LYS B 206 -12.399 -9.254 1.400 1.00 1.66 H new ATOM 0 HZ3 LYS B 206 -12.955 -9.239 3.005 1.00 1.66 H new ATOM 1193 N LEU B 207 -14.993 -2.863 3.960 1.00 0.54 N ATOM 1194 CA LEU B 207 -16.372 -2.780 4.517 1.00 0.68 C ATOM 1195 C LEU B 207 -17.039 -4.153 4.425 1.00 0.76 C ATOM 1196 O LEU B 207 -17.031 -4.789 3.390 1.00 0.71 O ATOM 1197 CB LEU B 207 -17.186 -1.763 3.714 1.00 0.69 C ATOM 1198 CG LEU B 207 -16.706 -0.350 4.046 1.00 0.79 C ATOM 1199 CD1 LEU B 207 -17.537 0.668 3.262 1.00 0.93 C ATOM 1200 CD2 LEU B 207 -16.873 -0.095 5.546 1.00 1.04 C ATOM 0 H LEU B 207 -14.879 -2.475 3.024 1.00 0.54 H new ATOM 0 HA LEU B 207 -16.326 -2.466 5.560 1.00 0.68 H new ATOM 0 HB2 LEU B 207 -17.076 -1.955 2.647 1.00 0.69 H new ATOM 0 HB3 LEU B 207 -18.246 -1.863 3.948 1.00 0.69 H new ATOM 0 HG LEU B 207 -15.655 -0.250 3.774 1.00 0.79 H new ATOM 0 HD11 LEU B 207 -17.195 1.676 3.498 1.00 0.93 H new ATOM 0 HD12 LEU B 207 -17.421 0.487 2.193 1.00 0.93 H new ATOM 0 HD13 LEU B 207 -18.587 0.568 3.535 1.00 0.93 H new ATOM 0 HD21 LEU B 207 -16.531 0.912 5.784 1.00 1.04 H new ATOM 0 HD22 LEU B 207 -17.924 -0.195 5.817 1.00 1.04 H new ATOM 0 HD23 LEU B 207 -16.283 -0.820 6.106 1.00 1.04 H new ATOM 1212 N ASP B 208 -17.615 -4.616 5.499 1.00 0.96 N ATOM 1213 CA ASP B 208 -18.279 -5.949 5.470 1.00 1.10 C ATOM 1214 C ASP B 208 -19.312 -5.980 4.342 1.00 1.01 C ATOM 1215 O ASP B 208 -19.716 -7.032 3.887 1.00 1.13 O ATOM 1216 CB ASP B 208 -18.976 -6.201 6.808 1.00 1.35 C ATOM 1217 CG ASP B 208 -18.810 -7.670 7.201 1.00 1.79 C ATOM 1218 OD1 ASP B 208 -17.803 -8.251 6.831 1.00 2.42 O ATOM 1219 OD2 ASP B 208 -19.692 -8.189 7.866 1.00 2.34 O ATOM 0 H ASP B 208 -17.655 -4.130 6.395 1.00 0.96 H new ATOM 0 HA ASP B 208 -17.531 -6.724 5.299 1.00 1.10 H new ATOM 0 HB2 ASP B 208 -18.551 -5.557 7.578 1.00 1.35 H new ATOM 0 HB3 ASP B 208 -20.034 -5.951 6.732 1.00 1.35 H new ATOM 1224 N SER B 209 -19.741 -4.836 3.884 1.00 0.93 N ATOM 1225 CA SER B 209 -20.740 -4.797 2.789 1.00 0.93 C ATOM 1226 C SER B 209 -20.073 -5.203 1.473 1.00 0.97 C ATOM 1227 O SER B 209 -20.640 -5.921 0.674 1.00 1.23 O ATOM 1228 CB SER B 209 -21.284 -3.380 2.673 1.00 1.14 C ATOM 1229 OG SER B 209 -20.285 -2.456 3.083 1.00 1.48 O ATOM 0 H SER B 209 -19.438 -3.924 4.226 1.00 0.93 H new ATOM 0 HA SER B 209 -21.554 -5.489 3.003 1.00 0.93 H new ATOM 0 HB2 SER B 209 -21.583 -3.177 1.645 1.00 1.14 H new ATOM 0 HB3 SER B 209 -22.174 -3.269 3.292 1.00 1.14 H new ATOM 0 HG SER B 209 -20.633 -1.543 3.007 1.00 1.48 H new ATOM 1235 N GLY B 210 -18.872 -4.748 1.243 1.00 0.91 N ATOM 1236 CA GLY B 210 -18.168 -5.107 -0.021 1.00 1.23 C ATOM 1237 C GLY B 210 -17.438 -3.878 -0.565 1.00 0.82 C ATOM 1238 O GLY B 210 -17.675 -3.443 -1.675 1.00 0.83 O ATOM 0 H GLY B 210 -18.348 -4.143 1.875 1.00 0.91 H new ATOM 0 HA2 GLY B 210 -17.458 -5.913 0.162 1.00 1.23 H new ATOM 0 HA3 GLY B 210 -18.884 -5.473 -0.757 1.00 1.23 H new ATOM 1242 N GLY B 211 -16.551 -3.313 0.208 1.00 0.69 N ATOM 1243 CA GLY B 211 -15.806 -2.111 -0.265 1.00 0.43 C ATOM 1244 C GLY B 211 -14.438 -2.056 0.417 1.00 0.37 C ATOM 1245 O GLY B 211 -14.049 -2.965 1.123 1.00 0.41 O ATOM 0 H GLY B 211 -16.310 -3.632 1.147 1.00 0.69 H new ATOM 0 HA2 GLY B 211 -15.683 -2.149 -1.347 1.00 0.43 H new ATOM 0 HA3 GLY B 211 -16.373 -1.207 -0.040 1.00 0.43 H new ATOM 1249 N PHE B 212 -13.705 -0.995 0.213 1.00 0.33 N ATOM 1250 CA PHE B 212 -12.363 -0.883 0.851 1.00 0.32 C ATOM 1251 C PHE B 212 -12.048 0.592 1.102 1.00 0.33 C ATOM 1252 O PHE B 212 -12.596 1.468 0.464 1.00 0.40 O ATOM 1253 CB PHE B 212 -11.302 -1.480 -0.076 1.00 0.39 C ATOM 1254 CG PHE B 212 -11.836 -2.739 -0.716 1.00 0.37 C ATOM 1255 CD1 PHE B 212 -12.739 -2.653 -1.790 1.00 1.20 C ATOM 1256 CD2 PHE B 212 -11.429 -3.997 -0.239 1.00 1.17 C ATOM 1257 CE1 PHE B 212 -13.234 -3.825 -2.387 1.00 1.22 C ATOM 1258 CE2 PHE B 212 -11.925 -5.168 -0.836 1.00 1.22 C ATOM 1259 CZ PHE B 212 -12.828 -5.082 -1.910 1.00 0.55 C ATOM 0 H PHE B 212 -13.978 -0.202 -0.367 1.00 0.33 H new ATOM 0 HA PHE B 212 -12.362 -1.426 1.796 1.00 0.32 H new ATOM 0 HB2 PHE B 212 -11.029 -0.757 -0.845 1.00 0.39 H new ATOM 0 HB3 PHE B 212 -10.396 -1.703 0.488 1.00 0.39 H new ATOM 0 HD1 PHE B 212 -13.052 -1.686 -2.156 1.00 1.20 H new ATOM 0 HD2 PHE B 212 -10.735 -4.063 0.586 1.00 1.17 H new ATOM 0 HE1 PHE B 212 -13.927 -3.759 -3.213 1.00 1.22 H new ATOM 0 HE2 PHE B 212 -11.612 -6.135 -0.470 1.00 1.22 H new ATOM 0 HZ PHE B 212 -13.209 -5.982 -2.368 1.00 0.55 H new ATOM 1269 N TYR B 213 -11.170 0.878 2.023 1.00 0.29 N ATOM 1270 CA TYR B 213 -10.830 2.302 2.299 1.00 0.33 C ATOM 1271 C TYR B 213 -9.753 2.378 3.383 1.00 0.30 C ATOM 1272 O TYR B 213 -9.847 1.739 4.412 1.00 0.47 O ATOM 1273 CB TYR B 213 -12.088 3.049 2.761 1.00 0.42 C ATOM 1274 CG TYR B 213 -12.446 2.637 4.171 1.00 0.46 C ATOM 1275 CD1 TYR B 213 -11.831 3.271 5.263 1.00 1.34 C ATOM 1276 CD2 TYR B 213 -13.392 1.622 4.389 1.00 1.27 C ATOM 1277 CE1 TYR B 213 -12.162 2.891 6.574 1.00 1.37 C ATOM 1278 CE2 TYR B 213 -13.724 1.241 5.700 1.00 1.32 C ATOM 1279 CZ TYR B 213 -13.109 1.876 6.793 1.00 0.65 C ATOM 1280 OH TYR B 213 -13.436 1.502 8.081 1.00 0.78 O ATOM 0 H TYR B 213 -10.676 0.192 2.593 1.00 0.29 H new ATOM 0 HA TYR B 213 -10.450 2.765 1.388 1.00 0.33 H new ATOM 0 HB2 TYR B 213 -11.918 4.125 2.720 1.00 0.42 H new ATOM 0 HB3 TYR B 213 -12.918 2.832 2.088 1.00 0.42 H new ATOM 0 HD1 TYR B 213 -11.103 4.051 5.095 1.00 1.34 H new ATOM 0 HD2 TYR B 213 -13.864 1.134 3.549 1.00 1.27 H new ATOM 0 HE1 TYR B 213 -11.689 3.379 7.414 1.00 1.37 H new ATOM 0 HE2 TYR B 213 -14.451 0.461 5.868 1.00 1.32 H new ATOM 0 HH TYR B 213 -14.107 0.788 8.054 1.00 0.78 H new ATOM 1290 N ILE B 214 -8.735 3.161 3.162 1.00 0.29 N ATOM 1291 CA ILE B 214 -7.656 3.287 4.179 1.00 0.27 C ATOM 1292 C ILE B 214 -7.928 4.513 5.059 1.00 0.37 C ATOM 1293 O ILE B 214 -7.208 4.783 6.000 1.00 0.46 O ATOM 1294 CB ILE B 214 -6.309 3.437 3.464 1.00 0.22 C ATOM 1295 CG1 ILE B 214 -5.883 2.076 2.912 1.00 0.21 C ATOM 1296 CG2 ILE B 214 -5.244 3.939 4.445 1.00 0.24 C ATOM 1297 CD1 ILE B 214 -4.884 2.276 1.771 1.00 0.25 C ATOM 0 H ILE B 214 -8.604 3.720 2.319 1.00 0.29 H new ATOM 0 HA ILE B 214 -7.630 2.398 4.809 1.00 0.27 H new ATOM 0 HB ILE B 214 -6.412 4.156 2.652 1.00 0.22 H new ATOM 0 HG12 ILE B 214 -5.432 1.476 3.703 1.00 0.21 H new ATOM 0 HG13 ILE B 214 -6.755 1.528 2.554 1.00 0.21 H new ATOM 0 HG21 ILE B 214 -4.291 4.042 3.926 1.00 0.24 H new ATOM 0 HG22 ILE B 214 -5.546 4.907 4.845 1.00 0.24 H new ATOM 0 HG23 ILE B 214 -5.137 3.226 5.262 1.00 0.24 H new ATOM 0 HD11 ILE B 214 -4.581 1.305 1.378 1.00 0.25 H new ATOM 0 HD12 ILE B 214 -5.351 2.859 0.977 1.00 0.25 H new ATOM 0 HD13 ILE B 214 -4.008 2.806 2.144 1.00 0.25 H new ATOM 1309 N THR B 215 -8.961 5.256 4.763 1.00 0.39 N ATOM 1310 CA THR B 215 -9.273 6.457 5.584 1.00 0.49 C ATOM 1311 C THR B 215 -10.791 6.616 5.694 1.00 0.50 C ATOM 1312 O THR B 215 -11.537 6.125 4.871 1.00 0.56 O ATOM 1313 CB THR B 215 -8.675 7.699 4.920 1.00 0.56 C ATOM 1314 OG1 THR B 215 -8.797 8.808 5.799 1.00 0.70 O ATOM 1315 CG2 THR B 215 -9.419 7.993 3.616 1.00 0.57 C ATOM 0 H THR B 215 -9.601 5.081 3.988 1.00 0.39 H new ATOM 0 HA THR B 215 -8.846 6.339 6.580 1.00 0.49 H new ATOM 0 HB THR B 215 -7.622 7.523 4.701 1.00 0.56 H new ATOM 0 HG1 THR B 215 -8.719 9.641 5.288 1.00 0.70 H new ATOM 0 HG21 THR B 215 -8.991 8.878 3.145 1.00 0.57 H new ATOM 0 HG22 THR B 215 -9.323 7.141 2.943 1.00 0.57 H new ATOM 0 HG23 THR B 215 -10.473 8.169 3.830 1.00 0.57 H new ATOM 1323 N SER B 216 -11.253 7.299 6.705 1.00 0.61 N ATOM 1324 CA SER B 216 -12.722 7.488 6.864 1.00 0.66 C ATOM 1325 C SER B 216 -13.167 8.705 6.053 1.00 0.71 C ATOM 1326 O SER B 216 -13.555 9.720 6.597 1.00 1.00 O ATOM 1327 CB SER B 216 -13.052 7.709 8.341 1.00 0.81 C ATOM 1328 OG SER B 216 -11.875 7.530 9.117 1.00 1.54 O ATOM 0 H SER B 216 -10.678 7.734 7.427 1.00 0.61 H new ATOM 0 HA SER B 216 -13.244 6.601 6.506 1.00 0.66 H new ATOM 0 HB2 SER B 216 -13.451 8.712 8.490 1.00 0.81 H new ATOM 0 HB3 SER B 216 -13.823 7.009 8.662 1.00 0.81 H new ATOM 0 HG SER B 216 -12.083 7.673 10.064 1.00 1.54 H new ATOM 1334 N ARG B 217 -13.113 8.610 4.753 1.00 0.70 N ATOM 1335 CA ARG B 217 -13.530 9.758 3.903 1.00 0.82 C ATOM 1336 C ARG B 217 -13.746 9.280 2.464 1.00 0.91 C ATOM 1337 O ARG B 217 -14.639 9.735 1.778 1.00 1.28 O ATOM 1338 CB ARG B 217 -12.440 10.829 3.926 1.00 0.86 C ATOM 1339 CG ARG B 217 -12.984 12.119 3.313 1.00 1.40 C ATOM 1340 CD ARG B 217 -12.295 13.323 3.958 1.00 1.64 C ATOM 1341 NE ARG B 217 -13.324 14.249 4.509 1.00 2.09 N ATOM 1342 CZ ARG B 217 -13.157 15.540 4.418 1.00 2.44 C ATOM 1343 NH1 ARG B 217 -13.028 16.100 3.246 1.00 3.05 N ATOM 1344 NH2 ARG B 217 -13.118 16.271 5.498 1.00 2.85 N ATOM 0 H ARG B 217 -12.797 7.785 4.243 1.00 0.70 H new ATOM 0 HA ARG B 217 -14.460 10.176 4.288 1.00 0.82 H new ATOM 0 HB2 ARG B 217 -12.113 11.009 4.950 1.00 0.86 H new ATOM 0 HB3 ARG B 217 -11.568 10.488 3.369 1.00 0.86 H new ATOM 0 HG2 ARG B 217 -12.813 12.123 2.237 1.00 1.40 H new ATOM 0 HG3 ARG B 217 -14.062 12.179 3.465 1.00 1.40 H new ATOM 0 HD2 ARG B 217 -11.627 12.990 4.753 1.00 1.64 H new ATOM 0 HD3 ARG B 217 -11.681 13.841 3.222 1.00 1.64 H new ATOM 0 HE ARG B 217 -14.160 13.874 4.958 1.00 2.09 H new ATOM 0 HH11 ARG B 217 -13.058 15.529 2.402 1.00 3.05 H new ATOM 0 HH12 ARG B 217 -12.897 17.109 3.175 1.00 3.05 H new ATOM 0 HH21 ARG B 217 -13.218 15.833 6.414 1.00 2.85 H new ATOM 0 HH22 ARG B 217 -12.987 17.280 5.426 1.00 2.85 H new ATOM 1358 N THR B 218 -12.933 8.369 2.000 1.00 0.71 N ATOM 1359 CA THR B 218 -13.093 7.869 0.605 1.00 0.87 C ATOM 1360 C THR B 218 -13.312 6.353 0.621 1.00 0.68 C ATOM 1361 O THR B 218 -12.694 5.634 1.381 1.00 0.74 O ATOM 1362 CB THR B 218 -11.831 8.193 -0.197 1.00 1.12 C ATOM 1363 OG1 THR B 218 -11.470 9.550 0.019 1.00 1.37 O ATOM 1364 CG2 THR B 218 -12.095 7.964 -1.685 1.00 1.39 C ATOM 0 H THR B 218 -12.166 7.950 2.526 1.00 0.71 H new ATOM 0 HA THR B 218 -13.955 8.352 0.144 1.00 0.87 H new ATOM 0 HB THR B 218 -11.018 7.544 0.128 1.00 1.12 H new ATOM 0 HG1 THR B 218 -10.661 9.759 -0.493 1.00 1.37 H new ATOM 0 HG21 THR B 218 -11.195 8.195 -2.254 1.00 1.39 H new ATOM 0 HG22 THR B 218 -12.371 6.922 -1.850 1.00 1.39 H new ATOM 0 HG23 THR B 218 -12.908 8.611 -2.014 1.00 1.39 H new ATOM 1372 N GLN B 219 -14.186 5.863 -0.216 1.00 0.59 N ATOM 1373 CA GLN B 219 -14.446 4.396 -0.258 1.00 0.44 C ATOM 1374 C GLN B 219 -14.240 3.890 -1.687 1.00 0.42 C ATOM 1375 O GLN B 219 -14.293 4.646 -2.636 1.00 0.68 O ATOM 1376 CB GLN B 219 -15.886 4.123 0.179 1.00 0.53 C ATOM 1377 CG GLN B 219 -16.138 4.769 1.543 1.00 0.67 C ATOM 1378 CD GLN B 219 -17.512 4.345 2.064 1.00 1.01 C ATOM 1379 OE1 GLN B 219 -18.251 3.666 1.379 1.00 1.75 O ATOM 1380 NE2 GLN B 219 -17.889 4.720 3.256 1.00 1.56 N ATOM 0 H GLN B 219 -14.733 6.418 -0.875 1.00 0.59 H new ATOM 0 HA GLN B 219 -13.760 3.881 0.415 1.00 0.44 H new ATOM 0 HB2 GLN B 219 -16.583 4.522 -0.558 1.00 0.53 H new ATOM 0 HB3 GLN B 219 -16.062 3.049 0.236 1.00 0.53 H new ATOM 0 HG2 GLN B 219 -15.362 4.470 2.248 1.00 0.67 H new ATOM 0 HG3 GLN B 219 -16.089 5.855 1.457 1.00 0.67 H new ATOM 0 HE21 GLN B 219 -17.269 5.290 3.831 1.00 1.56 H new ATOM 0 HE22 GLN B 219 -18.804 4.443 3.612 1.00 1.56 H new ATOM 1389 N PHE B 220 -14.003 2.617 -1.850 1.00 0.37 N ATOM 1390 CA PHE B 220 -13.792 2.071 -3.220 1.00 0.37 C ATOM 1391 C PHE B 220 -14.514 0.730 -3.354 1.00 0.33 C ATOM 1392 O PHE B 220 -14.815 0.074 -2.376 1.00 0.36 O ATOM 1393 CB PHE B 220 -12.295 1.872 -3.463 1.00 0.48 C ATOM 1394 CG PHE B 220 -11.565 3.167 -3.200 1.00 0.71 C ATOM 1395 CD1 PHE B 220 -11.478 4.142 -4.208 1.00 1.43 C ATOM 1396 CD2 PHE B 220 -10.974 3.399 -1.946 1.00 1.43 C ATOM 1397 CE1 PHE B 220 -10.799 5.347 -3.963 1.00 1.58 C ATOM 1398 CE2 PHE B 220 -10.295 4.604 -1.701 1.00 1.64 C ATOM 1399 CZ PHE B 220 -10.208 5.579 -2.710 1.00 1.25 C ATOM 0 H PHE B 220 -13.947 1.933 -1.095 1.00 0.37 H new ATOM 0 HA PHE B 220 -14.190 2.771 -3.955 1.00 0.37 H new ATOM 0 HB2 PHE B 220 -11.911 1.087 -2.811 1.00 0.48 H new ATOM 0 HB3 PHE B 220 -12.122 1.547 -4.489 1.00 0.48 H new ATOM 0 HD1 PHE B 220 -11.933 3.965 -5.171 1.00 1.43 H new ATOM 0 HD2 PHE B 220 -11.042 2.650 -1.170 1.00 1.43 H new ATOM 0 HE1 PHE B 220 -10.731 6.096 -4.739 1.00 1.58 H new ATOM 0 HE2 PHE B 220 -9.840 4.781 -0.738 1.00 1.64 H new ATOM 0 HZ PHE B 220 -9.687 6.506 -2.522 1.00 1.25 H new ATOM 1409 N ASN B 221 -14.795 0.316 -4.560 1.00 0.37 N ATOM 1410 CA ASN B 221 -15.497 -0.983 -4.757 1.00 0.40 C ATOM 1411 C ASN B 221 -14.483 -2.062 -5.147 1.00 0.38 C ATOM 1412 O ASN B 221 -14.846 -3.153 -5.539 1.00 0.49 O ATOM 1413 CB ASN B 221 -16.537 -0.834 -5.869 1.00 0.54 C ATOM 1414 CG ASN B 221 -17.941 -0.979 -5.279 1.00 1.28 C ATOM 1415 OD1 ASN B 221 -18.282 -2.011 -4.737 1.00 2.05 O ATOM 1416 ND2 ASN B 221 -18.776 0.021 -5.361 1.00 1.76 N ATOM 0 H ASN B 221 -14.569 0.821 -5.417 1.00 0.37 H new ATOM 0 HA ASN B 221 -15.992 -1.272 -3.830 1.00 0.40 H new ATOM 0 HB2 ASN B 221 -16.432 0.138 -6.351 1.00 0.54 H new ATOM 0 HB3 ASN B 221 -16.374 -1.590 -6.637 1.00 0.54 H new ATOM 0 HD21 ASN B 221 -19.714 -0.065 -4.970 1.00 1.76 H new ATOM 0 HD22 ASN B 221 -18.490 0.888 -5.816 1.00 1.76 H new ATOM 1423 N SER B 222 -13.214 -1.769 -5.045 1.00 0.33 N ATOM 1424 CA SER B 222 -12.186 -2.783 -5.411 1.00 0.38 C ATOM 1425 C SER B 222 -10.798 -2.269 -5.022 1.00 0.33 C ATOM 1426 O SER B 222 -10.468 -1.119 -5.236 1.00 0.32 O ATOM 1427 CB SER B 222 -12.233 -3.035 -6.918 1.00 0.46 C ATOM 1428 OG SER B 222 -12.205 -1.789 -7.603 1.00 0.49 O ATOM 0 H SER B 222 -12.847 -0.873 -4.725 1.00 0.33 H new ATOM 0 HA SER B 222 -12.389 -3.713 -4.880 1.00 0.38 H new ATOM 0 HB2 SER B 222 -11.386 -3.650 -7.222 1.00 0.46 H new ATOM 0 HB3 SER B 222 -13.137 -3.586 -7.178 1.00 0.46 H new ATOM 0 HG SER B 222 -12.233 -1.947 -8.570 1.00 0.49 H new ATOM 1434 N LEU B 223 -9.982 -3.114 -4.455 1.00 0.38 N ATOM 1435 CA LEU B 223 -8.616 -2.676 -4.055 1.00 0.37 C ATOM 1436 C LEU B 223 -7.960 -1.935 -5.221 1.00 0.34 C ATOM 1437 O LEU B 223 -7.084 -1.114 -5.033 1.00 0.36 O ATOM 1438 CB LEU B 223 -7.777 -3.902 -3.690 1.00 0.43 C ATOM 1439 CG LEU B 223 -8.242 -4.457 -2.343 1.00 0.44 C ATOM 1440 CD1 LEU B 223 -7.950 -5.958 -2.280 1.00 0.54 C ATOM 1441 CD2 LEU B 223 -7.494 -3.745 -1.214 1.00 0.56 C ATOM 0 H LEU B 223 -10.202 -4.089 -4.251 1.00 0.38 H new ATOM 0 HA LEU B 223 -8.681 -2.012 -3.193 1.00 0.37 H new ATOM 0 HB2 LEU B 223 -7.874 -4.665 -4.462 1.00 0.43 H new ATOM 0 HB3 LEU B 223 -6.722 -3.632 -3.639 1.00 0.43 H new ATOM 0 HG LEU B 223 -9.314 -4.291 -2.232 1.00 0.44 H new ATOM 0 HD11 LEU B 223 -8.282 -6.353 -1.320 1.00 0.54 H new ATOM 0 HD12 LEU B 223 -8.482 -6.466 -3.085 1.00 0.54 H new ATOM 0 HD13 LEU B 223 -6.879 -6.125 -2.391 1.00 0.54 H new ATOM 0 HD21 LEU B 223 -7.824 -4.140 -0.253 1.00 0.56 H new ATOM 0 HD22 LEU B 223 -6.423 -3.912 -1.326 1.00 0.56 H new ATOM 0 HD23 LEU B 223 -7.701 -2.676 -1.258 1.00 0.56 H new ATOM 1453 N GLN B 224 -8.376 -2.219 -6.425 1.00 0.36 N ATOM 1454 CA GLN B 224 -7.777 -1.530 -7.602 1.00 0.37 C ATOM 1455 C GLN B 224 -8.212 -0.064 -7.611 1.00 0.33 C ATOM 1456 O GLN B 224 -7.411 0.829 -7.798 1.00 0.37 O ATOM 1457 CB GLN B 224 -8.251 -2.212 -8.888 1.00 0.46 C ATOM 1458 CG GLN B 224 -7.373 -1.765 -10.058 1.00 1.19 C ATOM 1459 CD GLN B 224 -8.094 -2.051 -11.376 1.00 1.56 C ATOM 1460 OE1 GLN B 224 -9.118 -2.704 -11.392 1.00 2.16 O ATOM 1461 NE2 GLN B 224 -7.599 -1.586 -12.491 1.00 2.08 N ATOM 0 H GLN B 224 -9.105 -2.898 -6.644 1.00 0.36 H new ATOM 0 HA GLN B 224 -6.690 -1.585 -7.541 1.00 0.37 H new ATOM 0 HB2 GLN B 224 -8.202 -3.295 -8.777 1.00 0.46 H new ATOM 0 HB3 GLN B 224 -9.293 -1.958 -9.084 1.00 0.46 H new ATOM 0 HG2 GLN B 224 -7.153 -0.701 -9.975 1.00 1.19 H new ATOM 0 HG3 GLN B 224 -6.419 -2.291 -10.032 1.00 1.19 H new ATOM 0 HE21 GLN B 224 -6.739 -1.038 -12.478 1.00 2.08 H new ATOM 0 HE22 GLN B 224 -8.072 -1.771 -13.375 1.00 2.08 H new ATOM 1470 N GLN B 225 -9.475 0.191 -7.408 1.00 0.33 N ATOM 1471 CA GLN B 225 -9.956 1.601 -7.404 1.00 0.31 C ATOM 1472 C GLN B 225 -9.201 2.389 -6.331 1.00 0.27 C ATOM 1473 O GLN B 225 -8.783 3.509 -6.549 1.00 0.31 O ATOM 1474 CB GLN B 225 -11.455 1.628 -7.100 1.00 0.33 C ATOM 1475 CG GLN B 225 -12.203 2.254 -8.279 1.00 0.77 C ATOM 1476 CD GLN B 225 -13.710 2.185 -8.024 1.00 0.84 C ATOM 1477 OE1 GLN B 225 -14.195 1.242 -7.433 1.00 0.82 O ATOM 1478 NE2 GLN B 225 -14.475 3.153 -8.449 1.00 1.59 N ATOM 0 H GLN B 225 -10.193 -0.514 -7.245 1.00 0.33 H new ATOM 0 HA GLN B 225 -9.778 2.051 -8.380 1.00 0.31 H new ATOM 0 HB2 GLN B 225 -11.819 0.616 -6.920 1.00 0.33 H new ATOM 0 HB3 GLN B 225 -11.642 2.200 -6.191 1.00 0.33 H new ATOM 0 HG2 GLN B 225 -11.893 3.291 -8.410 1.00 0.77 H new ATOM 0 HG3 GLN B 225 -11.955 1.728 -9.201 1.00 0.77 H new ATOM 0 HE21 GLN B 225 -14.067 3.945 -8.945 1.00 1.59 H new ATOM 0 HE22 GLN B 225 -15.481 3.118 -8.285 1.00 1.59 H new ATOM 1487 N LEU B 226 -9.020 1.811 -5.175 1.00 0.25 N ATOM 1488 CA LEU B 226 -8.288 2.525 -4.090 1.00 0.25 C ATOM 1489 C LEU B 226 -6.845 2.780 -4.534 1.00 0.26 C ATOM 1490 O LEU B 226 -6.239 3.768 -4.171 1.00 0.27 O ATOM 1491 CB LEU B 226 -8.291 1.663 -2.822 1.00 0.29 C ATOM 1492 CG LEU B 226 -7.464 2.342 -1.726 1.00 0.28 C ATOM 1493 CD1 LEU B 226 -7.899 1.811 -0.358 1.00 0.32 C ATOM 1494 CD2 LEU B 226 -5.980 2.031 -1.939 1.00 0.36 C ATOM 0 H LEU B 226 -9.347 0.875 -4.935 1.00 0.25 H new ATOM 0 HA LEU B 226 -8.777 3.477 -3.882 1.00 0.25 H new ATOM 0 HB2 LEU B 226 -9.314 1.513 -2.477 1.00 0.29 H new ATOM 0 HB3 LEU B 226 -7.880 0.677 -3.041 1.00 0.29 H new ATOM 0 HG LEU B 226 -7.621 3.420 -1.768 1.00 0.28 H new ATOM 0 HD11 LEU B 226 -7.311 2.293 0.423 1.00 0.32 H new ATOM 0 HD12 LEU B 226 -8.956 2.028 -0.203 1.00 0.32 H new ATOM 0 HD13 LEU B 226 -7.740 0.733 -0.319 1.00 0.32 H new ATOM 0 HD21 LEU B 226 -5.391 2.514 -1.159 1.00 0.36 H new ATOM 0 HD22 LEU B 226 -5.824 0.953 -1.896 1.00 0.36 H new ATOM 0 HD23 LEU B 226 -5.666 2.404 -2.914 1.00 0.36 H new ATOM 1506 N VAL B 227 -6.289 1.892 -5.314 1.00 0.30 N ATOM 1507 CA VAL B 227 -4.884 2.081 -5.776 1.00 0.36 C ATOM 1508 C VAL B 227 -4.837 3.153 -6.868 1.00 0.36 C ATOM 1509 O VAL B 227 -3.832 3.807 -7.064 1.00 0.47 O ATOM 1510 CB VAL B 227 -4.353 0.760 -6.336 1.00 0.46 C ATOM 1511 CG1 VAL B 227 -2.924 0.958 -6.846 1.00 0.56 C ATOM 1512 CG2 VAL B 227 -4.356 -0.298 -5.231 1.00 0.53 C ATOM 0 H VAL B 227 -6.747 1.045 -5.651 1.00 0.30 H new ATOM 0 HA VAL B 227 -4.267 2.398 -4.935 1.00 0.36 H new ATOM 0 HB VAL B 227 -4.990 0.432 -7.158 1.00 0.46 H new ATOM 0 HG11 VAL B 227 -2.546 0.017 -7.245 1.00 0.56 H new ATOM 0 HG12 VAL B 227 -2.920 1.713 -7.632 1.00 0.56 H new ATOM 0 HG13 VAL B 227 -2.287 1.286 -6.025 1.00 0.56 H new ATOM 0 HG21 VAL B 227 -3.978 -1.240 -5.628 1.00 0.53 H new ATOM 0 HG22 VAL B 227 -3.719 0.031 -4.410 1.00 0.53 H new ATOM 0 HG23 VAL B 227 -5.373 -0.440 -4.866 1.00 0.53 H new ATOM 1522 N ALA B 228 -5.913 3.339 -7.582 1.00 0.36 N ATOM 1523 CA ALA B 228 -5.920 4.369 -8.659 1.00 0.38 C ATOM 1524 C ALA B 228 -6.027 5.762 -8.034 1.00 0.32 C ATOM 1525 O ALA B 228 -5.279 6.660 -8.366 1.00 0.38 O ATOM 1526 CB ALA B 228 -7.117 4.133 -9.583 1.00 0.42 C ATOM 0 H ALA B 228 -6.786 2.824 -7.467 1.00 0.36 H new ATOM 0 HA ALA B 228 -4.997 4.298 -9.234 1.00 0.38 H new ATOM 0 HB1 ALA B 228 -7.123 4.886 -10.371 1.00 0.42 H new ATOM 0 HB2 ALA B 228 -7.042 3.141 -10.029 1.00 0.42 H new ATOM 0 HB3 ALA B 228 -8.040 4.203 -9.008 1.00 0.42 H new ATOM 1532 N TYR B 229 -6.951 5.949 -7.133 1.00 0.30 N ATOM 1533 CA TYR B 229 -7.106 7.283 -6.490 1.00 0.28 C ATOM 1534 C TYR B 229 -5.807 7.662 -5.775 1.00 0.26 C ATOM 1535 O TYR B 229 -5.270 8.735 -5.970 1.00 0.29 O ATOM 1536 CB TYR B 229 -8.249 7.230 -5.475 1.00 0.32 C ATOM 1537 CG TYR B 229 -8.799 8.619 -5.263 1.00 0.41 C ATOM 1538 CD1 TYR B 229 -9.098 9.432 -6.370 1.00 1.25 C ATOM 1539 CD2 TYR B 229 -9.010 9.101 -3.961 1.00 1.35 C ATOM 1540 CE1 TYR B 229 -9.609 10.726 -6.174 1.00 1.28 C ATOM 1541 CE2 TYR B 229 -9.521 10.394 -3.764 1.00 1.45 C ATOM 1542 CZ TYR B 229 -9.820 11.207 -4.871 1.00 0.72 C ATOM 1543 OH TYR B 229 -10.322 12.478 -4.678 1.00 0.89 O ATOM 0 H TYR B 229 -7.606 5.235 -6.814 1.00 0.30 H new ATOM 0 HA TYR B 229 -7.330 8.028 -7.253 1.00 0.28 H new ATOM 0 HB2 TYR B 229 -9.036 6.566 -5.832 1.00 0.32 H new ATOM 0 HB3 TYR B 229 -7.892 6.821 -4.530 1.00 0.32 H new ATOM 0 HD1 TYR B 229 -8.935 9.062 -7.371 1.00 1.25 H new ATOM 0 HD2 TYR B 229 -8.779 8.477 -3.111 1.00 1.35 H new ATOM 0 HE1 TYR B 229 -9.839 11.351 -7.024 1.00 1.28 H new ATOM 0 HE2 TYR B 229 -9.684 10.764 -2.762 1.00 1.45 H new ATOM 0 HH TYR B 229 -10.408 12.653 -3.718 1.00 0.89 H new ATOM 1553 N TYR B 230 -5.297 6.791 -4.948 1.00 0.27 N ATOM 1554 CA TYR B 230 -4.034 7.103 -4.222 1.00 0.30 C ATOM 1555 C TYR B 230 -2.852 7.060 -5.197 1.00 0.33 C ATOM 1556 O TYR B 230 -1.734 7.387 -4.848 1.00 0.40 O ATOM 1557 CB TYR B 230 -3.819 6.066 -3.112 1.00 0.37 C ATOM 1558 CG TYR B 230 -4.791 6.302 -1.971 1.00 0.36 C ATOM 1559 CD1 TYR B 230 -5.868 7.198 -2.119 1.00 1.26 C ATOM 1560 CD2 TYR B 230 -4.614 5.619 -0.755 1.00 1.29 C ATOM 1561 CE1 TYR B 230 -6.761 7.407 -1.054 1.00 1.29 C ATOM 1562 CE2 TYR B 230 -5.508 5.829 0.309 1.00 1.35 C ATOM 1563 CZ TYR B 230 -6.581 6.723 0.159 1.00 0.58 C ATOM 1564 OH TYR B 230 -7.458 6.929 1.204 1.00 0.74 O ATOM 0 H TYR B 230 -5.701 5.877 -4.744 1.00 0.27 H new ATOM 0 HA TYR B 230 -4.103 8.099 -3.786 1.00 0.30 H new ATOM 0 HB2 TYR B 230 -3.956 5.062 -3.513 1.00 0.37 H new ATOM 0 HB3 TYR B 230 -2.795 6.125 -2.744 1.00 0.37 H new ATOM 0 HD1 TYR B 230 -6.008 7.725 -3.051 1.00 1.26 H new ATOM 0 HD2 TYR B 230 -3.789 4.931 -0.638 1.00 1.29 H new ATOM 0 HE1 TYR B 230 -7.586 8.094 -1.169 1.00 1.29 H new ATOM 0 HE2 TYR B 230 -5.370 5.303 1.242 1.00 1.35 H new ATOM 0 HH TYR B 230 -7.191 6.378 1.969 1.00 0.74 H new ATOM 1574 N SER B 231 -3.086 6.656 -6.417 1.00 0.33 N ATOM 1575 CA SER B 231 -1.972 6.591 -7.401 1.00 0.40 C ATOM 1576 C SER B 231 -1.856 7.924 -8.142 1.00 0.39 C ATOM 1577 O SER B 231 -0.869 8.195 -8.797 1.00 0.64 O ATOM 1578 CB SER B 231 -2.245 5.471 -8.405 1.00 0.47 C ATOM 1579 OG SER B 231 -1.676 4.260 -7.923 1.00 0.64 O ATOM 0 H SER B 231 -3.998 6.369 -6.772 1.00 0.33 H new ATOM 0 HA SER B 231 -1.039 6.391 -6.875 1.00 0.40 H new ATOM 0 HB2 SER B 231 -3.319 5.350 -8.549 1.00 0.47 H new ATOM 0 HB3 SER B 231 -1.820 5.725 -9.376 1.00 0.47 H new ATOM 0 HG SER B 231 -2.382 3.693 -7.548 1.00 0.64 H new ATOM 1585 N LYS B 232 -2.853 8.758 -8.049 1.00 0.36 N ATOM 1586 CA LYS B 232 -2.790 10.068 -8.754 1.00 0.42 C ATOM 1587 C LYS B 232 -3.117 11.203 -7.779 1.00 0.41 C ATOM 1588 O LYS B 232 -3.074 12.364 -8.133 1.00 0.56 O ATOM 1589 CB LYS B 232 -3.801 10.078 -9.896 1.00 0.58 C ATOM 1590 CG LYS B 232 -3.068 9.961 -11.233 1.00 1.03 C ATOM 1591 CD LYS B 232 -3.920 10.590 -12.337 1.00 1.38 C ATOM 1592 CE LYS B 232 -3.076 10.760 -13.601 1.00 1.68 C ATOM 1593 NZ LYS B 232 -3.473 12.016 -14.298 1.00 2.46 N ATOM 0 H LYS B 232 -3.707 8.590 -7.517 1.00 0.36 H new ATOM 0 HA LYS B 232 -1.785 10.213 -9.149 1.00 0.42 H new ATOM 0 HB2 LYS B 232 -4.502 9.252 -9.781 1.00 0.58 H new ATOM 0 HB3 LYS B 232 -4.385 10.998 -9.870 1.00 0.58 H new ATOM 0 HG2 LYS B 232 -2.101 10.461 -11.175 1.00 1.03 H new ATOM 0 HG3 LYS B 232 -2.872 8.914 -11.462 1.00 1.03 H new ATOM 0 HD2 LYS B 232 -4.785 9.960 -12.547 1.00 1.38 H new ATOM 0 HD3 LYS B 232 -4.302 11.557 -12.010 1.00 1.38 H new ATOM 0 HE2 LYS B 232 -2.018 10.794 -13.343 1.00 1.68 H new ATOM 0 HE3 LYS B 232 -3.216 9.905 -14.262 1.00 1.68 H new ATOM 0 HZ1 LYS B 232 -2.899 12.132 -15.158 1.00 2.46 H new ATOM 0 HZ2 LYS B 232 -4.479 11.966 -14.557 1.00 2.46 H new ATOM 0 HZ3 LYS B 232 -3.318 12.827 -13.666 1.00 2.46 H new ATOM 1607 N HIS B 233 -3.439 10.883 -6.557 1.00 0.44 N ATOM 1608 CA HIS B 233 -3.762 11.953 -5.572 1.00 0.50 C ATOM 1609 C HIS B 233 -3.327 11.507 -4.177 1.00 0.47 C ATOM 1610 O HIS B 233 -4.064 10.855 -3.464 1.00 0.55 O ATOM 1611 CB HIS B 233 -5.268 12.217 -5.577 1.00 0.67 C ATOM 1612 CG HIS B 233 -5.604 13.198 -6.667 1.00 1.05 C ATOM 1613 ND1 HIS B 233 -4.768 14.253 -6.998 1.00 1.51 N ATOM 1614 CD2 HIS B 233 -6.683 13.296 -7.511 1.00 1.68 C ATOM 1615 CE1 HIS B 233 -5.352 14.934 -8.001 1.00 2.00 C ATOM 1616 NE2 HIS B 233 -6.521 14.393 -8.352 1.00 2.13 N ATOM 0 H HIS B 233 -3.493 9.930 -6.198 1.00 0.44 H new ATOM 0 HA HIS B 233 -3.234 12.867 -5.843 1.00 0.50 H new ATOM 0 HB2 HIS B 233 -5.810 11.285 -5.733 1.00 0.67 H new ATOM 0 HB3 HIS B 233 -5.582 12.610 -4.610 1.00 0.67 H new ATOM 0 HD2 HIS B 233 -7.528 12.624 -7.521 1.00 1.68 H new ATOM 0 HE1 HIS B 233 -4.927 15.811 -8.466 1.00 2.00 H new ATOM 0 HE2 HIS B 233 -7.159 14.715 -9.080 1.00 2.13 H new ATOM 1624 N ALA B 234 -2.133 11.852 -3.784 1.00 0.48 N ATOM 1625 CA ALA B 234 -1.646 11.450 -2.435 1.00 0.51 C ATOM 1626 C ALA B 234 -2.736 11.727 -1.397 1.00 0.51 C ATOM 1627 O ALA B 234 -2.907 10.986 -0.449 1.00 0.56 O ATOM 1628 CB ALA B 234 -0.393 12.254 -2.086 1.00 0.63 C ATOM 0 H ALA B 234 -1.472 12.396 -4.339 1.00 0.48 H new ATOM 0 HA ALA B 234 -1.407 10.387 -2.436 1.00 0.51 H new ATOM 0 HB1 ALA B 234 -0.036 11.961 -1.099 1.00 0.63 H new ATOM 0 HB2 ALA B 234 0.383 12.058 -2.826 1.00 0.63 H new ATOM 0 HB3 ALA B 234 -0.632 13.317 -2.084 1.00 0.63 H new ATOM 1634 N ASP B 235 -3.474 12.790 -1.567 1.00 0.58 N ATOM 1635 CA ASP B 235 -4.550 13.115 -0.588 1.00 0.69 C ATOM 1636 C ASP B 235 -3.952 13.191 0.818 1.00 0.73 C ATOM 1637 O ASP B 235 -4.553 12.761 1.783 1.00 1.22 O ATOM 1638 CB ASP B 235 -5.623 12.025 -0.627 1.00 0.74 C ATOM 1639 CG ASP B 235 -6.997 12.666 -0.833 1.00 1.30 C ATOM 1640 OD1 ASP B 235 -7.192 13.283 -1.868 1.00 2.06 O ATOM 1641 OD2 ASP B 235 -7.831 12.530 0.047 1.00 1.81 O ATOM 0 H ASP B 235 -3.378 13.447 -2.341 1.00 0.58 H new ATOM 0 HA ASP B 235 -4.998 14.074 -0.846 1.00 0.69 H new ATOM 0 HB2 ASP B 235 -5.413 11.323 -1.434 1.00 0.74 H new ATOM 0 HB3 ASP B 235 -5.612 11.456 0.302 1.00 0.74 H new ATOM 1646 N GLY B 236 -2.771 13.733 0.942 1.00 0.87 N ATOM 1647 CA GLY B 236 -2.134 13.834 2.285 1.00 0.93 C ATOM 1648 C GLY B 236 -1.390 12.534 2.596 1.00 0.80 C ATOM 1649 O GLY B 236 -1.099 12.232 3.736 1.00 0.95 O ATOM 0 H GLY B 236 -2.220 14.110 0.171 1.00 0.87 H new ATOM 0 HA2 GLY B 236 -1.442 14.676 2.309 1.00 0.93 H new ATOM 0 HA3 GLY B 236 -2.892 14.023 3.045 1.00 0.93 H new ATOM 1653 N LEU B 237 -1.082 11.761 1.590 1.00 0.68 N ATOM 1654 CA LEU B 237 -0.358 10.481 1.829 1.00 0.61 C ATOM 1655 C LEU B 237 1.145 10.747 1.899 1.00 0.71 C ATOM 1656 O LEU B 237 1.583 11.877 1.982 1.00 0.83 O ATOM 1657 CB LEU B 237 -0.650 9.505 0.688 1.00 0.52 C ATOM 1658 CG LEU B 237 -1.703 8.495 1.143 1.00 0.55 C ATOM 1659 CD1 LEU B 237 -2.579 8.097 -0.046 1.00 0.60 C ATOM 1660 CD2 LEU B 237 -1.008 7.251 1.701 1.00 0.62 C ATOM 0 H LEU B 237 -1.300 11.961 0.614 1.00 0.68 H new ATOM 0 HA LEU B 237 -0.694 10.048 2.771 1.00 0.61 H new ATOM 0 HB2 LEU B 237 -1.005 10.048 -0.188 1.00 0.52 H new ATOM 0 HB3 LEU B 237 0.263 8.988 0.394 1.00 0.52 H new ATOM 0 HG LEU B 237 -2.325 8.944 1.917 1.00 0.55 H new ATOM 0 HD11 LEU B 237 -3.329 7.377 0.280 1.00 0.60 H new ATOM 0 HD12 LEU B 237 -3.075 8.982 -0.445 1.00 0.60 H new ATOM 0 HD13 LEU B 237 -1.958 7.648 -0.821 1.00 0.60 H new ATOM 0 HD21 LEU B 237 -1.758 6.530 2.026 1.00 0.62 H new ATOM 0 HD22 LEU B 237 -0.386 6.803 0.926 1.00 0.62 H new ATOM 0 HD23 LEU B 237 -0.384 7.532 2.549 1.00 0.62 H new ATOM 1672 N CYS B 238 1.939 9.713 1.869 1.00 0.73 N ATOM 1673 CA CYS B 238 3.413 9.905 1.937 1.00 0.88 C ATOM 1674 C CYS B 238 3.950 10.247 0.546 1.00 0.66 C ATOM 1675 O CYS B 238 4.953 10.919 0.409 1.00 0.63 O ATOM 1676 CB CYS B 238 4.072 8.618 2.436 1.00 1.13 C ATOM 1677 SG CYS B 238 3.515 7.221 1.429 1.00 1.11 S ATOM 0 H CYS B 238 1.630 8.743 1.800 1.00 0.73 H new ATOM 0 HA CYS B 238 3.641 10.720 2.623 1.00 0.88 H new ATOM 0 HB2 CYS B 238 5.157 8.708 2.382 1.00 1.13 H new ATOM 0 HB3 CYS B 238 3.818 8.449 3.482 1.00 1.13 H new ATOM 0 HG CYS B 238 3.517 6.139 2.149 1.00 1.11 H new ATOM 1683 N HIS B 239 3.296 9.790 -0.489 1.00 0.59 N ATOM 1684 CA HIS B 239 3.784 10.095 -1.865 1.00 0.49 C ATOM 1685 C HIS B 239 2.879 9.429 -2.905 1.00 0.55 C ATOM 1686 O HIS B 239 2.548 8.264 -2.801 1.00 1.08 O ATOM 1687 CB HIS B 239 5.211 9.562 -2.024 1.00 0.61 C ATOM 1688 CG HIS B 239 5.948 10.390 -3.039 1.00 0.71 C ATOM 1689 ND1 HIS B 239 5.602 10.395 -4.381 1.00 0.87 N ATOM 1690 CD2 HIS B 239 7.017 11.244 -2.924 1.00 0.78 C ATOM 1691 CE1 HIS B 239 6.448 11.227 -5.015 1.00 1.05 C ATOM 1692 NE2 HIS B 239 7.331 11.772 -4.173 1.00 1.00 N ATOM 0 H HIS B 239 2.450 9.222 -0.442 1.00 0.59 H new ATOM 0 HA HIS B 239 3.769 11.174 -2.017 1.00 0.49 H new ATOM 0 HB2 HIS B 239 5.731 9.594 -1.067 1.00 0.61 H new ATOM 0 HB3 HIS B 239 5.187 8.519 -2.339 1.00 0.61 H new ATOM 0 HD1 HIS B 239 4.844 9.864 -4.810 1.00 0.87 H new ATOM 0 HD2 HIS B 239 7.535 11.471 -2.004 1.00 0.78 H new ATOM 0 HE1 HIS B 239 6.417 11.430 -6.075 1.00 1.05 H new ATOM 1700 N ARG B 240 2.490 10.158 -3.917 1.00 0.44 N ATOM 1701 CA ARG B 240 1.622 9.571 -4.978 1.00 0.43 C ATOM 1702 C ARG B 240 2.255 8.270 -5.477 1.00 0.40 C ATOM 1703 O ARG B 240 3.446 8.205 -5.711 1.00 0.55 O ATOM 1704 CB ARG B 240 1.520 10.553 -6.140 1.00 0.49 C ATOM 1705 CG ARG B 240 0.438 10.086 -7.114 1.00 0.56 C ATOM 1706 CD ARG B 240 0.220 11.171 -8.161 1.00 1.36 C ATOM 1707 NE ARG B 240 0.553 10.636 -9.511 1.00 1.27 N ATOM 1708 CZ ARG B 240 1.700 10.926 -10.062 1.00 1.45 C ATOM 1709 NH1 ARG B 240 1.887 12.098 -10.604 1.00 1.73 N ATOM 1710 NH2 ARG B 240 2.661 10.043 -10.071 1.00 2.20 N ATOM 0 H ARG B 240 2.737 11.138 -4.054 1.00 0.44 H new ATOM 0 HA ARG B 240 0.629 9.370 -4.575 1.00 0.43 H new ATOM 0 HB2 ARG B 240 1.282 11.549 -5.767 1.00 0.49 H new ATOM 0 HB3 ARG B 240 2.479 10.625 -6.653 1.00 0.49 H new ATOM 0 HG2 ARG B 240 0.738 9.154 -7.593 1.00 0.56 H new ATOM 0 HG3 ARG B 240 -0.490 9.885 -6.579 1.00 0.56 H new ATOM 0 HD2 ARG B 240 -0.816 11.510 -8.138 1.00 1.36 H new ATOM 0 HD3 ARG B 240 0.844 12.037 -7.938 1.00 1.36 H new ATOM 0 HE ARG B 240 -0.115 10.044 -10.004 1.00 1.27 H new ATOM 0 HH11 ARG B 240 1.136 12.789 -10.597 1.00 1.73 H new ATOM 0 HH12 ARG B 240 2.784 12.324 -11.034 1.00 1.73 H new ATOM 0 HH21 ARG B 240 2.516 9.127 -9.648 1.00 2.20 H new ATOM 0 HH22 ARG B 240 3.558 10.269 -10.502 1.00 2.20 H new ATOM 1724 N LEU B 241 1.481 7.234 -5.650 1.00 0.42 N ATOM 1725 CA LEU B 241 2.071 5.955 -6.142 1.00 0.42 C ATOM 1726 C LEU B 241 2.776 6.209 -7.476 1.00 0.44 C ATOM 1727 O LEU B 241 2.255 6.879 -8.345 1.00 0.60 O ATOM 1728 CB LEU B 241 0.968 4.915 -6.342 1.00 0.47 C ATOM 1729 CG LEU B 241 0.125 4.809 -5.071 1.00 0.51 C ATOM 1730 CD1 LEU B 241 -0.890 3.675 -5.225 1.00 0.62 C ATOM 1731 CD2 LEU B 241 1.037 4.515 -3.878 1.00 0.49 C ATOM 0 H LEU B 241 0.476 7.216 -5.475 1.00 0.42 H new ATOM 0 HA LEU B 241 2.786 5.581 -5.409 1.00 0.42 H new ATOM 0 HB2 LEU B 241 0.338 5.196 -7.186 1.00 0.47 H new ATOM 0 HB3 LEU B 241 1.407 3.946 -6.581 1.00 0.47 H new ATOM 0 HG LEU B 241 -0.401 5.749 -4.905 1.00 0.51 H new ATOM 0 HD11 LEU B 241 -1.491 3.599 -4.319 1.00 0.62 H new ATOM 0 HD12 LEU B 241 -1.540 3.881 -6.075 1.00 0.62 H new ATOM 0 HD13 LEU B 241 -0.363 2.735 -5.391 1.00 0.62 H new ATOM 0 HD21 LEU B 241 0.437 4.439 -2.971 1.00 0.49 H new ATOM 0 HD22 LEU B 241 1.563 3.575 -4.045 1.00 0.49 H new ATOM 0 HD23 LEU B 241 1.762 5.321 -3.767 1.00 0.49 H new ATOM 1743 N THR B 242 3.959 5.683 -7.648 1.00 0.42 N ATOM 1744 CA THR B 242 4.689 5.905 -8.928 1.00 0.51 C ATOM 1745 C THR B 242 5.143 4.561 -9.503 1.00 0.44 C ATOM 1746 O THR B 242 5.130 4.353 -10.700 1.00 0.56 O ATOM 1747 CB THR B 242 5.912 6.788 -8.673 1.00 0.59 C ATOM 1748 OG1 THR B 242 6.685 6.231 -7.619 1.00 0.64 O ATOM 1749 CG2 THR B 242 5.455 8.195 -8.285 1.00 0.83 C ATOM 0 H THR B 242 4.449 5.111 -6.960 1.00 0.42 H new ATOM 0 HA THR B 242 4.026 6.397 -9.639 1.00 0.51 H new ATOM 0 HB THR B 242 6.517 6.842 -9.578 1.00 0.59 H new ATOM 0 HG1 THR B 242 7.470 6.795 -7.456 1.00 0.64 H new ATOM 0 HG21 THR B 242 6.327 8.824 -8.103 1.00 0.83 H new ATOM 0 HG22 THR B 242 4.863 8.621 -9.095 1.00 0.83 H new ATOM 0 HG23 THR B 242 4.850 8.144 -7.380 1.00 0.83 H new ATOM 1757 N THR B 243 5.547 3.649 -8.663 1.00 0.32 N ATOM 1758 CA THR B 243 6.003 2.324 -9.170 1.00 0.31 C ATOM 1759 C THR B 243 5.470 1.213 -8.263 1.00 0.26 C ATOM 1760 O THR B 243 5.038 1.456 -7.155 1.00 0.28 O ATOM 1761 CB THR B 243 7.533 2.283 -9.179 1.00 0.38 C ATOM 1762 OG1 THR B 243 8.038 3.593 -9.400 1.00 0.44 O ATOM 1763 CG2 THR B 243 8.015 1.353 -10.293 1.00 0.47 C ATOM 0 H THR B 243 5.581 3.763 -7.650 1.00 0.32 H new ATOM 0 HA THR B 243 5.626 2.175 -10.182 1.00 0.31 H new ATOM 0 HB THR B 243 7.893 1.911 -8.220 1.00 0.38 H new ATOM 0 HG1 THR B 243 8.963 3.538 -9.719 1.00 0.44 H new ATOM 0 HG21 THR B 243 9.105 1.325 -10.298 1.00 0.47 H new ATOM 0 HG22 THR B 243 7.627 0.349 -10.122 1.00 0.47 H new ATOM 0 HG23 THR B 243 7.657 1.721 -11.255 1.00 0.47 H new ATOM 1771 N VAL B 244 5.502 -0.006 -8.728 1.00 0.32 N ATOM 1772 CA VAL B 244 5.003 -1.137 -7.896 1.00 0.29 C ATOM 1773 C VAL B 244 6.181 -2.030 -7.502 1.00 0.31 C ATOM 1774 O VAL B 244 7.271 -1.897 -8.021 1.00 0.35 O ATOM 1775 CB VAL B 244 3.990 -1.953 -8.701 1.00 0.33 C ATOM 1776 CG1 VAL B 244 3.161 -2.819 -7.751 1.00 0.30 C ATOM 1777 CG2 VAL B 244 3.062 -1.005 -9.463 1.00 0.41 C ATOM 0 H VAL B 244 5.853 -0.268 -9.649 1.00 0.32 H new ATOM 0 HA VAL B 244 4.522 -0.748 -6.998 1.00 0.29 H new ATOM 0 HB VAL B 244 4.519 -2.592 -9.408 1.00 0.33 H new ATOM 0 HG11 VAL B 244 2.439 -3.400 -8.325 1.00 0.30 H new ATOM 0 HG12 VAL B 244 3.820 -3.495 -7.206 1.00 0.30 H new ATOM 0 HG13 VAL B 244 2.632 -2.180 -7.044 1.00 0.30 H new ATOM 0 HG21 VAL B 244 2.340 -1.586 -10.037 1.00 0.41 H new ATOM 0 HG22 VAL B 244 2.534 -0.366 -8.755 1.00 0.41 H new ATOM 0 HG23 VAL B 244 3.650 -0.386 -10.141 1.00 0.41 H new ATOM 1787 N CYS B 245 5.975 -2.939 -6.589 1.00 0.34 N ATOM 1788 CA CYS B 245 7.089 -3.833 -6.169 1.00 0.41 C ATOM 1789 C CYS B 245 7.319 -4.902 -7.248 1.00 0.65 C ATOM 1790 O CYS B 245 6.373 -5.471 -7.755 1.00 1.61 O ATOM 1791 CB CYS B 245 6.726 -4.514 -4.848 1.00 0.62 C ATOM 1792 SG CYS B 245 7.553 -3.662 -3.482 1.00 1.61 S ATOM 0 H CYS B 245 5.085 -3.101 -6.117 1.00 0.34 H new ATOM 0 HA CYS B 245 7.998 -3.245 -6.037 1.00 0.41 H new ATOM 0 HB2 CYS B 245 5.646 -4.495 -4.702 1.00 0.62 H new ATOM 0 HB3 CYS B 245 7.026 -5.562 -4.872 1.00 0.62 H new ATOM 0 HG CYS B 245 6.890 -2.586 -3.177 1.00 1.61 H new ATOM 1798 N PRO B 246 8.568 -5.146 -7.571 1.00 1.01 N ATOM 1799 CA PRO B 246 8.936 -6.144 -8.590 1.00 1.25 C ATOM 1800 C PRO B 246 8.854 -7.558 -8.006 1.00 1.97 C ATOM 1801 O PRO B 246 9.128 -7.707 -6.826 1.00 2.65 O ATOM 1802 CB PRO B 246 10.381 -5.783 -8.943 1.00 2.33 C ATOM 1803 CG PRO B 246 10.941 -4.992 -7.737 1.00 3.06 C ATOM 1804 CD PRO B 246 9.725 -4.457 -6.958 1.00 2.17 C ATOM 1805 OXT PRO B 246 8.518 -8.466 -8.748 1.00 2.63 O ATOM 0 HA PRO B 246 8.276 -6.134 -9.458 1.00 1.25 H new ATOM 0 HB2 PRO B 246 10.972 -6.680 -9.127 1.00 2.33 H new ATOM 0 HB3 PRO B 246 10.420 -5.184 -9.853 1.00 2.33 H new ATOM 0 HG2 PRO B 246 11.555 -5.633 -7.104 1.00 3.06 H new ATOM 0 HG3 PRO B 246 11.577 -4.173 -8.073 1.00 3.06 H new ATOM 0 HD2 PRO B 246 9.804 -4.681 -5.894 1.00 2.17 H new ATOM 0 HD3 PRO B 246 9.638 -3.374 -7.050 1.00 2.17 H new TER 1813 PRO B 246 CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 1 8 23 CONECT 8 7 9 11 24 CONECT 9 8 10 31 CONECT 10 9 CONECT 11 8 12 25 26 CONECT 12 11 13 14 CONECT 13 12 15 27 CONECT 14 12 16 28 CONECT 15 13 17 29 CONECT 16 14 17 30 CONECT 17 15 16 18 CONECT 18 17 19 CONECT 19 18 20 21 22 CONECT 20 19 CONECT 21 19 CONECT 22 19 CONECT 23 7 CONECT 24 8 CONECT 25 11 CONECT 26 11 CONECT 27 13 CONECT 28 14 CONECT 29 15 CONECT 30 16 CONECT 31 9 END