USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) HEADER HYDROLASE 06-JUL-05 2A7U TITLE NMR SOLUTION STRUCTURE OF THE E.COLI F-ATPASE DELTA SUBUNIT N-TERMINAL TITLE 2 DOMAIN IN COMPLEX WITH ALPHA SUBUNIT N-TERMINAL 22 RESIDUES COMPND MOL_ID: 1; COMPND 2 MOLECULE: ATP SYNTHASE ALPHA CHAIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN, (RESIDUES 1-22); COMPND 5 SYNONYM: F-ATPASE ALPHA CHAIN; COMPND 6 EC: 3.6.3.14; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: REGULATORY UNIT; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: ATP SYNTHASE DELTA CHAIN; COMPND 1 CHAIN: B; COMPND 2 FRAGMENT: N-TERMINAL DOMAIN, (RESIDUES 2-135); COMPND 3 SYNONYM: F-ATPASE DELTA CHAIN; COMPND 4 EC: 3.6.3.14; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN E.COLI, GENES ATPA, SOURCE 4 PAPA, UNCA; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 7 ORGANISM_TAXID: 83334; SOURCE 8 STRAIN: O157:H7; SOURCE 9 GENE: ATPH, PAPE, UNCH; SOURCE 0 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 1 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 2 EXPRESSION_SYSTEM_STRAIN: 594; SOURCE 3 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID KEYWDS ALPHA HELIX BUNDLE, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.WILKENS,D.BORCHARDT,J.WEBER,A.E.SENIOR REVDAT 3 13-JUL-11 2A7U 1 VERSN REVDAT 2 24-FEB-09 2A7U 1 VERSN REVDAT 1 11-OCT-05 2A7U 0 JRNL AUTH S.WILKENS,D.BORCHARDT,J.WEBER,A.E.SENIOR JRNL TITL STRUCTURAL CHARACTERIZATION OF THE INTERACTION OF THE DELTA JRNL TITL 2 AND ALPHA SUBUNITS OF THE ESCHERICHIA COLI F(1)F(0)-ATP JRNL TITL 3 SYNTHASE BY NMR SPECTROSCOPY JRNL REF BIOCHEMISTRY V. 44 11786 2005 JRNL REFN ISSN 0006-2960 JRNL PMID 16128580 JRNL DOI 10.1021/BI0510678 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : AT BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: RMS DIFFERENCE OF NON-H ATOMS 1.114, REMARK 3 FOR THE BACKBONE ATOMS 0.6174 REMARK 4 REMARK 4 2A7U COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-JUL-05. REMARK 100 THE RCSB ID CODE IS RCSB033596. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 295 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : 50 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.6 MM DELTA SUBUNIT N-TERMINAL REMARK 210 DOMAIN U-13C,15N; 0.9 MM ALPHA REMARK 210 SUBUNIT N-TERMINAL PEPTIDE; 10 MM REMARK 210 NA,K PHOSPHATE, PH 7.2, 3MM NAN3, REMARK 210 0.1 MM EDTA; 93% H20, 7% D20 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 13C/12C REMARK 210 FILTERED 2-D NOESY; 12C/12C REMARK 210 FILTERED 2-D NOESY; 14N/12C REMARK 210 FILTERED 2-D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA; AVANCE REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.8, FELIX 98 REMARK 210 METHOD USED : DISTANCE GEOMETRY; SIMULATED REMARK 210 ANNEALING; MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGED MINIMIZED STRUCTURE 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA B 106 REMARK 465 GLU B 107 REMARK 465 VAL B 108 REMARK 465 ASP B 109 REMARK 465 VAL B 110 REMARK 465 ILE B 111 REMARK 465 SER B 112 REMARK 465 ALA B 113 REMARK 465 ALA B 114 REMARK 465 ALA B 115 REMARK 465 LEU B 116 REMARK 465 SER B 117 REMARK 465 GLU B 118 REMARK 465 GLN B 119 REMARK 465 GLN B 120 REMARK 465 LEU B 121 REMARK 465 ALA B 122 REMARK 465 LYS B 123 REMARK 465 ILE B 124 REMARK 465 SER B 125 REMARK 465 ALA B 126 REMARK 465 ALA B 127 REMARK 465 MET B 128 REMARK 465 GLU B 129 REMARK 465 LYS B 130 REMARK 465 ARG B 131 REMARK 465 LEU B 132 REMARK 465 SER B 133 REMARK 465 ARG B 134 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HH21 ARG B 99 OE1 GLU B 103 1.51 REMARK 500 O ILE A 12 H ILE A 16 1.52 REMARK 500 O SER B 23 H TRP B 27 1.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 3 -34.64 178.92 REMARK 500 ASN A 20 45.60 -84.21 REMARK 500 VAL A 21 41.06 -140.83 REMARK 500 LYS B 39 37.29 -94.46 REMARK 500 GLU B 41 -64.21 -29.47 REMARK 500 GLU B 66 21.48 48.51 REMARK 500 GLN B 67 45.34 -93.06 REMARK 500 ARG B 84 33.08 -160.24 REMARK 500 ALA B 87 40.69 -85.59 REMARK 500 GLU B 103 37.28 -89.57 REMARK 500 ALA B 104 -28.35 -142.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 15 0.31 SIDE CHAIN REMARK 500 ARG B 8 0.30 SIDE CHAIN REMARK 500 ARG B 26 0.31 SIDE CHAIN REMARK 500 ARG B 77 0.29 SIDE CHAIN REMARK 500 ARG B 84 0.31 SIDE CHAIN REMARK 500 ARG B 99 0.21 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ABV RELATED DB: PDB REMARK 900 NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE REMARK 900 E.COLI F-ATPASE DELTA SUBUNIT DBREF 2A7U A 1 22 UNP P00822 ATPA_ECOLI 1 22 DBREF 2A7U B 1 134 UNP P0ABA4 ATPD_ECOLI 2 135 SEQRES 1 A 22 MET GLN LEU ASN SER THR GLU ILE SER GLU LEU ILE LYS SEQRES 2 A 22 GLN ARG ILE ALA GLN PHE ASN VAL VAL SEQRES 1 B 134 SER GLU PHE ILE THR VAL ALA ARG PRO TYR ALA LYS ALA SEQRES 2 B 134 ALA PHE ASP PHE ALA VAL GLU HIS GLN SER VAL GLU ARG SEQRES 3 B 134 TRP GLN ASP MET LEU ALA PHE ALA ALA GLU VAL THR LYS SEQRES 4 B 134 ASN GLU GLN MET ALA GLU LEU LEU SER GLY ALA LEU ALA SEQRES 5 B 134 PRO GLU THR LEU ALA GLU SER PHE ILE ALA VAL CYS GLY SEQRES 6 B 134 GLU GLN LEU ASP GLU ASN GLY GLN ASN LEU ILE ARG VAL SEQRES 7 B 134 MET ALA GLU ASN GLY ARG LEU ASN ALA LEU PRO ASP VAL SEQRES 8 B 134 LEU GLU GLN PHE ILE HIS LEU ARG ALA VAL SER GLU ALA SEQRES 9 B 134 THR ALA GLU VAL ASP VAL ILE SER ALA ALA ALA LEU SER SEQRES 10 B 134 GLU GLN GLN LEU ALA LYS ILE SER ALA ALA MET GLU LYS SEQRES 11 B 134 ARG LEU SER ARG HELIX 1 1 ASN A 4 GLU A 7 5 4 HELIX 2 2 ILE A 8 PHE A 19 1 12 HELIX 3 3 PHE B 3 THR B 5 5 3 HELIX 4 4 VAL B 6 HIS B 21 1 16 HELIX 5 5 SER B 23 LYS B 39 1 17 HELIX 6 6 ASN B 40 SER B 48 1 9 HELIX 7 7 ALA B 52 CYS B 64 1 13 HELIX 8 8 ASP B 69 ASN B 82 1 14 HELIX 9 9 ALA B 87 GLU B 103 1 17 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 43 MET CE :methyl -174:sc= -2.57! (180deg=-2.63!) USER MOD Set 1.2: B 59 SER OG : rot -150:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.00577 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.18) USER MOD Single : A 4 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.22) USER MOD Single : A 5 SER OG : rot 90:sc= -0.675 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.000264 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.25 (180deg=0.948) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.12) USER MOD Single : B 1 SER N :NH3+ 145:sc= 0.494 (180deg=0.0773) USER MOD Single : B 1 SER OG : rot 180:sc= 0.177 USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= -0.503 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.013) USER MOD Single : B 22 GLN : amide:sc= 1.12 K(o=1.1,f=-0.095) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 0.255 K(o=0.26,f=-9.3!) USER MOD Single : B 30 MET CE :methyl -173:sc= -2.14! (180deg=-2.22!) USER MOD Single : B 38 THR OG1 : rot 47:sc= -3.24! USER MOD Single : B 39 LYS NZ :NH3+ -142:sc= -0.139 (180deg=-0.674) USER MOD Single : B 40 ASN : amide:sc= -0.969 K(o=-0.97,f=-5.9!) USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 55 THR OG1 : rot 84:sc= 0.804 USER MOD Single : B 64 CYS SG : rot 10:sc= 1.45 USER MOD Single : B 67 GLN : amide:sc=-7.19e-07 X(o=-7.2e-07,f=-7.2e-07) USER MOD Single : B 71 ASN : amide:sc= -0.671 K(o=-0.67,f=-1.5) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.0332 F(o=-1.6!,f=-0.033) USER MOD Single : B 74 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.9!) USER MOD Single : B 79 MET CE :methyl -147:sc= -4.34! (180deg=-7.17!) USER MOD Single : B 82 ASN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : B 86 ASN : amide:sc= 0.639 K(o=0.64,f=-10!) USER MOD Single : B 94 GLN : amide:sc= -0.737 K(o=-0.74,f=-4.9!) USER MOD Single : B 97 HIS : no HD1:sc=-0.00978 X(o=-0.0098,f=-0.37) USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.320 11.760 8.484 1.00 3.25 N ATOM 2 CA MET A 1 -14.669 13.079 8.192 1.00 2.62 C ATOM 3 C MET A 1 -13.840 12.986 6.901 1.00 2.06 C ATOM 4 O MET A 1 -13.143 12.014 6.685 1.00 2.08 O ATOM 5 CB MET A 1 -13.754 13.352 9.399 1.00 2.89 C ATOM 6 CG MET A 1 -14.508 14.174 10.454 1.00 3.42 C ATOM 7 SD MET A 1 -13.678 14.017 12.055 1.00 3.83 S ATOM 8 CE MET A 1 -14.815 15.071 12.994 1.00 4.61 C ATOM 0 H1 MET A 1 -15.249 11.555 9.501 1.00 3.25 H new ATOM 0 H2 MET A 1 -16.322 11.799 8.208 1.00 3.25 H new ATOM 0 H3 MET A 1 -14.841 11.010 7.946 1.00 3.25 H new ATOM 0 HA MET A 1 -15.399 13.875 8.047 1.00 2.62 H new ATOM 0 HB2 MET A 1 -13.418 12.410 9.832 1.00 2.89 H new ATOM 0 HB3 MET A 1 -12.863 13.890 9.076 1.00 2.89 H new ATOM 0 HG2 MET A 1 -14.546 15.221 10.154 1.00 3.42 H new ATOM 0 HG3 MET A 1 -15.538 13.827 10.532 1.00 3.42 H new ATOM 0 HE1 MET A 1 -14.491 15.121 14.033 1.00 4.61 H new ATOM 0 HE2 MET A 1 -14.818 16.074 12.567 1.00 4.61 H new ATOM 0 HE3 MET A 1 -15.821 14.653 12.947 1.00 4.61 H new ATOM 20 N GLN A 2 -13.912 13.983 6.049 1.00 1.91 N ATOM 21 CA GLN A 2 -13.124 13.948 4.771 1.00 1.48 C ATOM 22 C GLN A 2 -12.171 15.153 4.679 1.00 1.49 C ATOM 23 O GLN A 2 -12.571 16.248 4.326 1.00 1.88 O ATOM 24 CB GLN A 2 -14.170 13.999 3.658 1.00 1.59 C ATOM 25 CG GLN A 2 -14.099 12.697 2.858 1.00 1.84 C ATOM 26 CD GLN A 2 -15.423 11.947 2.973 1.00 2.17 C ATOM 27 OE1 GLN A 2 -15.957 11.788 4.055 1.00 2.30 O ATOM 28 NE2 GLN A 2 -15.982 11.475 1.902 1.00 2.91 N ATOM 0 H GLN A 2 -14.481 14.819 6.182 1.00 1.91 H new ATOM 0 HA GLN A 2 -12.499 13.058 4.704 1.00 1.48 H new ATOM 0 HB2 GLN A 2 -15.166 14.129 4.081 1.00 1.59 H new ATOM 0 HB3 GLN A 2 -13.987 14.853 3.006 1.00 1.59 H new ATOM 0 HG2 GLN A 2 -13.883 12.914 1.812 1.00 1.84 H new ATOM 0 HG3 GLN A 2 -13.285 12.075 3.230 1.00 1.84 H new ATOM 0 HE21 GLN A 2 -15.537 11.607 0.994 1.00 2.91 H new ATOM 0 HE22 GLN A 2 -16.867 10.972 1.968 1.00 2.91 H new ATOM 37 N LEU A 3 -10.916 14.946 4.993 1.00 1.39 N ATOM 38 CA LEU A 3 -9.904 16.057 4.929 1.00 1.48 C ATOM 39 C LEU A 3 -8.517 15.553 5.373 1.00 1.18 C ATOM 40 O LEU A 3 -7.498 15.987 4.871 1.00 1.27 O ATOM 41 CB LEU A 3 -10.405 17.148 5.888 1.00 1.93 C ATOM 42 CG LEU A 3 -9.871 18.505 5.417 1.00 2.17 C ATOM 43 CD1 LEU A 3 -10.804 19.628 5.862 1.00 2.54 C ATOM 44 CD2 LEU A 3 -8.484 18.748 6.014 1.00 2.68 C ATOM 0 H LEU A 3 -10.541 14.047 5.295 1.00 1.39 H new ATOM 0 HA LEU A 3 -9.799 16.436 3.912 1.00 1.48 H new ATOM 0 HB2 LEU A 3 -11.495 17.159 5.911 1.00 1.93 H new ATOM 0 HB3 LEU A 3 -10.067 16.942 6.904 1.00 1.93 H new ATOM 0 HG LEU A 3 -9.813 18.495 4.329 1.00 2.17 H new ATOM 0 HD11 LEU A 3 -10.411 20.585 5.520 1.00 2.54 H new ATOM 0 HD12 LEU A 3 -11.794 19.469 5.435 1.00 2.54 H new ATOM 0 HD13 LEU A 3 -10.874 19.633 6.950 1.00 2.54 H new ATOM 0 HD21 LEU A 3 -8.107 19.714 5.677 1.00 2.68 H new ATOM 0 HD22 LEU A 3 -8.550 18.744 7.102 1.00 2.68 H new ATOM 0 HD23 LEU A 3 -7.805 17.960 5.689 1.00 2.68 H new ATOM 56 N ASN A 4 -8.466 14.647 6.318 1.00 1.08 N ATOM 57 CA ASN A 4 -7.143 14.127 6.790 1.00 0.98 C ATOM 58 C ASN A 4 -6.755 12.863 6.003 1.00 0.90 C ATOM 59 O ASN A 4 -7.531 12.338 5.236 1.00 1.60 O ATOM 60 CB ASN A 4 -7.335 13.807 8.282 1.00 1.18 C ATOM 61 CG ASN A 4 -8.231 14.863 8.932 1.00 1.54 C ATOM 62 OD1 ASN A 4 -9.401 14.634 9.130 1.00 1.93 O ATOM 63 ND2 ASN A 4 -7.740 16.018 9.261 1.00 2.24 N ATOM 0 H ASN A 4 -9.280 14.245 6.783 1.00 1.08 H new ATOM 0 HA ASN A 4 -6.342 14.850 6.638 1.00 0.98 H new ATOM 0 HB2 ASN A 4 -7.781 12.819 8.396 1.00 1.18 H new ATOM 0 HB3 ASN A 4 -6.368 13.780 8.784 1.00 1.18 H new ATOM 0 HD21 ASN A 4 -8.341 16.726 9.684 1.00 2.24 H new ATOM 0 HD22 ASN A 4 -6.753 16.218 9.097 1.00 2.24 H new ATOM 70 N SER A 5 -5.557 12.374 6.191 1.00 0.56 N ATOM 71 CA SER A 5 -5.099 11.143 5.449 1.00 0.47 C ATOM 72 C SER A 5 -6.167 10.029 5.416 1.00 0.51 C ATOM 73 O SER A 5 -6.267 9.306 4.450 1.00 0.78 O ATOM 74 CB SER A 5 -3.874 10.654 6.218 1.00 0.66 C ATOM 75 OG SER A 5 -3.185 9.669 5.451 1.00 1.19 O ATOM 0 H SER A 5 -4.867 12.771 6.828 1.00 0.56 H new ATOM 0 HA SER A 5 -4.892 11.385 4.406 1.00 0.47 H new ATOM 0 HB2 SER A 5 -3.210 11.491 6.433 1.00 0.66 H new ATOM 0 HB3 SER A 5 -4.178 10.234 7.177 1.00 0.66 H new ATOM 0 HG SER A 5 -2.517 10.106 4.882 1.00 1.19 H new ATOM 81 N THR A 6 -6.944 9.868 6.459 1.00 0.63 N ATOM 82 CA THR A 6 -7.986 8.773 6.469 1.00 0.73 C ATOM 83 C THR A 6 -8.955 8.881 5.275 1.00 0.59 C ATOM 84 O THR A 6 -9.484 7.887 4.811 1.00 0.60 O ATOM 85 CB THR A 6 -8.745 8.938 7.796 1.00 0.92 C ATOM 86 OG1 THR A 6 -9.382 7.711 8.125 1.00 1.04 O ATOM 87 CG2 THR A 6 -9.799 10.047 7.681 1.00 0.93 C ATOM 0 H THR A 6 -6.909 10.440 7.303 1.00 0.63 H new ATOM 0 HA THR A 6 -7.516 7.794 6.380 1.00 0.73 H new ATOM 0 HB THR A 6 -8.036 9.212 8.577 1.00 0.92 H new ATOM 0 HG1 THR A 6 -9.866 7.810 8.971 1.00 1.04 H new ATOM 0 HG21 THR A 6 -10.325 10.148 8.630 1.00 0.93 H new ATOM 0 HG22 THR A 6 -9.310 10.990 7.435 1.00 0.93 H new ATOM 0 HG23 THR A 6 -10.511 9.792 6.896 1.00 0.93 H new ATOM 95 N GLU A 7 -9.201 10.068 4.780 1.00 0.52 N ATOM 96 CA GLU A 7 -10.149 10.225 3.629 1.00 0.47 C ATOM 97 C GLU A 7 -9.461 9.948 2.277 1.00 0.31 C ATOM 98 O GLU A 7 -10.119 9.671 1.290 1.00 0.33 O ATOM 99 CB GLU A 7 -10.633 11.676 3.726 1.00 0.59 C ATOM 100 CG GLU A 7 -9.588 12.636 3.135 1.00 0.53 C ATOM 101 CD GLU A 7 -10.085 13.170 1.792 1.00 0.61 C ATOM 102 OE1 GLU A 7 -11.208 13.643 1.744 1.00 1.05 O ATOM 103 OE2 GLU A 7 -9.335 13.095 0.837 1.00 1.36 O ATOM 0 H GLU A 7 -8.788 10.936 5.121 1.00 0.52 H new ATOM 0 HA GLU A 7 -10.971 9.511 3.678 1.00 0.47 H new ATOM 0 HB2 GLU A 7 -11.578 11.786 3.194 1.00 0.59 H new ATOM 0 HB3 GLU A 7 -10.822 11.933 4.768 1.00 0.59 H new ATOM 0 HG2 GLU A 7 -9.408 13.462 3.823 1.00 0.53 H new ATOM 0 HG3 GLU A 7 -8.638 12.119 3.003 1.00 0.53 H new ATOM 110 N ILE A 8 -8.149 9.998 2.223 1.00 0.26 N ATOM 111 CA ILE A 8 -7.429 9.729 0.930 1.00 0.22 C ATOM 112 C ILE A 8 -7.844 8.373 0.313 1.00 0.21 C ATOM 113 O ILE A 8 -7.563 8.105 -0.839 1.00 0.24 O ATOM 114 CB ILE A 8 -5.933 9.741 1.291 1.00 0.33 C ATOM 115 CG1 ILE A 8 -5.102 9.943 0.024 1.00 1.07 C ATOM 116 CG2 ILE A 8 -5.528 8.412 1.929 1.00 0.47 C ATOM 117 CD1 ILE A 8 -5.146 11.411 -0.401 1.00 0.79 C ATOM 0 H ILE A 8 -7.545 10.213 3.016 1.00 0.26 H new ATOM 0 HA ILE A 8 -7.673 10.477 0.176 1.00 0.22 H new ATOM 0 HB ILE A 8 -5.755 10.553 1.996 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -4.071 9.638 0.203 1.00 1.07 H new ATOM 0 HG13 ILE A 8 -5.486 9.312 -0.777 1.00 1.07 H new ATOM 0 HG21 ILE A 8 -4.467 8.436 2.178 1.00 0.47 H new ATOM 0 HG22 ILE A 8 -6.111 8.251 2.836 1.00 0.47 H new ATOM 0 HG23 ILE A 8 -5.717 7.599 1.228 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -4.551 11.546 -1.304 1.00 0.79 H new ATOM 0 HD12 ILE A 8 -6.178 11.702 -0.599 1.00 0.79 H new ATOM 0 HD13 ILE A 8 -4.740 12.033 0.397 1.00 0.79 H new ATOM 129 N SER A 9 -8.508 7.521 1.068 1.00 0.20 N ATOM 130 CA SER A 9 -8.948 6.187 0.531 1.00 0.22 C ATOM 131 C SER A 9 -9.469 6.297 -0.912 1.00 0.27 C ATOM 132 O SER A 9 -8.993 5.611 -1.796 1.00 0.31 O ATOM 133 CB SER A 9 -10.078 5.734 1.461 1.00 0.27 C ATOM 134 OG SER A 9 -10.179 4.308 1.438 1.00 0.33 O ATOM 0 H SER A 9 -8.765 7.695 2.040 1.00 0.20 H new ATOM 0 HA SER A 9 -8.116 5.483 0.503 1.00 0.22 H new ATOM 0 HB2 SER A 9 -9.886 6.078 2.477 1.00 0.27 H new ATOM 0 HB3 SER A 9 -11.022 6.180 1.147 1.00 0.27 H new ATOM 0 HG SER A 9 -10.901 4.022 2.035 1.00 0.33 H new ATOM 140 N GLU A 10 -10.440 7.143 -1.165 1.00 0.32 N ATOM 141 CA GLU A 10 -10.967 7.265 -2.565 1.00 0.39 C ATOM 142 C GLU A 10 -9.856 7.695 -3.522 1.00 0.39 C ATOM 143 O GLU A 10 -9.702 7.130 -4.591 1.00 0.46 O ATOM 144 CB GLU A 10 -12.090 8.304 -2.503 1.00 0.44 C ATOM 145 CG GLU A 10 -13.322 7.761 -3.253 1.00 1.25 C ATOM 146 CD GLU A 10 -13.631 6.308 -2.848 1.00 1.75 C ATOM 147 OE1 GLU A 10 -13.204 5.883 -1.782 1.00 2.31 O ATOM 148 OE2 GLU A 10 -14.294 5.637 -3.619 1.00 2.26 O ATOM 0 H GLU A 10 -10.886 7.747 -0.475 1.00 0.32 H new ATOM 0 HA GLU A 10 -11.341 6.313 -2.941 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -12.346 8.519 -1.466 1.00 0.44 H new ATOM 0 HB3 GLU A 10 -11.760 9.241 -2.951 1.00 0.44 H new ATOM 0 HG2 GLU A 10 -14.186 8.391 -3.041 1.00 1.25 H new ATOM 0 HG3 GLU A 10 -13.147 7.811 -4.328 1.00 1.25 H new ATOM 155 N LEU A 11 -9.051 8.655 -3.141 1.00 0.36 N ATOM 156 CA LEU A 11 -7.922 9.063 -4.033 1.00 0.39 C ATOM 157 C LEU A 11 -7.018 7.841 -4.250 1.00 0.32 C ATOM 158 O LEU A 11 -6.591 7.555 -5.353 1.00 0.37 O ATOM 159 CB LEU A 11 -7.166 10.175 -3.285 1.00 0.44 C ATOM 160 CG LEU A 11 -7.832 11.549 -3.494 1.00 0.54 C ATOM 161 CD1 LEU A 11 -8.643 11.578 -4.792 1.00 0.65 C ATOM 162 CD2 LEU A 11 -8.760 11.845 -2.318 1.00 0.49 C ATOM 0 H LEU A 11 -9.124 9.168 -2.263 1.00 0.36 H new ATOM 0 HA LEU A 11 -8.258 9.421 -5.006 1.00 0.39 H new ATOM 0 HB2 LEU A 11 -7.135 9.943 -2.221 1.00 0.44 H new ATOM 0 HB3 LEU A 11 -6.134 10.213 -3.634 1.00 0.44 H new ATOM 0 HG LEU A 11 -7.048 12.303 -3.558 1.00 0.54 H new ATOM 0 HD11 LEU A 11 -9.101 12.560 -4.913 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -7.984 11.379 -5.637 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -9.422 10.816 -4.751 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -9.233 12.816 -2.463 1.00 0.49 H new ATOM 0 HD22 LEU A 11 -9.528 11.074 -2.257 1.00 0.49 H new ATOM 0 HD23 LEU A 11 -8.183 11.857 -1.393 1.00 0.49 H new ATOM 174 N ILE A 12 -6.758 7.100 -3.197 1.00 0.24 N ATOM 175 CA ILE A 12 -5.915 5.867 -3.319 1.00 0.22 C ATOM 176 C ILE A 12 -6.583 4.879 -4.285 1.00 0.22 C ATOM 177 O ILE A 12 -5.970 4.403 -5.214 1.00 0.28 O ATOM 178 CB ILE A 12 -5.870 5.260 -1.911 1.00 0.20 C ATOM 179 CG1 ILE A 12 -5.062 6.154 -0.972 1.00 0.20 C ATOM 180 CG2 ILE A 12 -5.215 3.879 -1.967 1.00 0.21 C ATOM 181 CD1 ILE A 12 -5.191 5.618 0.455 1.00 0.19 C ATOM 0 H ILE A 12 -7.095 7.298 -2.255 1.00 0.24 H new ATOM 0 HA ILE A 12 -4.918 6.090 -3.700 1.00 0.22 H new ATOM 0 HB ILE A 12 -6.890 5.174 -1.537 1.00 0.20 H new ATOM 0 HG12 ILE A 12 -4.015 6.171 -1.275 1.00 0.20 H new ATOM 0 HG13 ILE A 12 -5.425 7.180 -1.023 1.00 0.20 H new ATOM 0 HG21 ILE A 12 -5.184 3.450 -0.965 1.00 0.21 H new ATOM 0 HG22 ILE A 12 -5.793 3.228 -2.623 1.00 0.21 H new ATOM 0 HG23 ILE A 12 -4.200 3.973 -2.353 1.00 0.21 H new ATOM 0 HD11 ILE A 12 -4.618 6.249 1.134 1.00 0.19 H new ATOM 0 HD12 ILE A 12 -6.240 5.624 0.752 1.00 0.19 H new ATOM 0 HD13 ILE A 12 -4.808 4.598 0.497 1.00 0.19 H new ATOM 193 N LYS A 13 -7.841 4.576 -4.062 1.00 0.20 N ATOM 194 CA LYS A 13 -8.576 3.619 -4.959 1.00 0.24 C ATOM 195 C LYS A 13 -8.394 4.014 -6.434 1.00 0.27 C ATOM 196 O LYS A 13 -8.228 3.171 -7.296 1.00 0.31 O ATOM 197 CB LYS A 13 -10.043 3.746 -4.538 1.00 0.28 C ATOM 198 CG LYS A 13 -10.680 2.358 -4.424 1.00 0.34 C ATOM 199 CD LYS A 13 -12.154 2.511 -4.032 1.00 0.37 C ATOM 200 CE LYS A 13 -12.257 3.265 -2.704 1.00 0.41 C ATOM 201 NZ LYS A 13 -13.714 3.333 -2.414 1.00 0.59 N ATOM 0 H LYS A 13 -8.395 4.952 -3.293 1.00 0.20 H new ATOM 0 HA LYS A 13 -8.209 2.597 -4.867 1.00 0.24 H new ATOM 0 HB2 LYS A 13 -10.111 4.266 -3.582 1.00 0.28 H new ATOM 0 HB3 LYS A 13 -10.588 4.346 -5.267 1.00 0.28 H new ATOM 0 HG2 LYS A 13 -10.597 1.827 -5.372 1.00 0.34 H new ATOM 0 HG3 LYS A 13 -10.153 1.763 -3.678 1.00 0.34 H new ATOM 0 HD2 LYS A 13 -12.694 3.050 -4.811 1.00 0.37 H new ATOM 0 HD3 LYS A 13 -12.620 1.530 -3.942 1.00 0.37 H new ATOM 0 HE2 LYS A 13 -11.720 2.744 -1.911 1.00 0.41 H new ATOM 0 HE3 LYS A 13 -11.823 4.262 -2.781 1.00 0.41 H new ATOM 0 HZ1 LYS A 13 -13.864 3.792 -1.493 1.00 0.59 H new ATOM 0 HZ2 LYS A 13 -14.190 3.884 -3.156 1.00 0.59 H new ATOM 0 HZ3 LYS A 13 -14.108 2.371 -2.390 1.00 0.59 H new ATOM 215 N GLN A 14 -8.415 5.290 -6.724 1.00 0.27 N ATOM 216 CA GLN A 14 -8.231 5.750 -8.138 1.00 0.32 C ATOM 217 C GLN A 14 -6.757 5.622 -8.566 1.00 0.29 C ATOM 218 O GLN A 14 -6.463 5.319 -9.703 1.00 0.34 O ATOM 219 CB GLN A 14 -8.662 7.220 -8.138 1.00 0.37 C ATOM 220 CG GLN A 14 -10.089 7.341 -8.689 1.00 0.86 C ATOM 221 CD GLN A 14 -10.145 8.439 -9.754 1.00 1.31 C ATOM 222 OE1 GLN A 14 -9.853 9.582 -9.484 1.00 2.06 O ATOM 223 NE2 GLN A 14 -10.512 8.141 -10.963 1.00 1.94 N ATOM 0 H GLN A 14 -8.552 6.036 -6.042 1.00 0.27 H new ATOM 0 HA GLN A 14 -8.813 5.151 -8.839 1.00 0.32 H new ATOM 0 HB2 GLN A 14 -8.617 7.622 -7.126 1.00 0.37 H new ATOM 0 HB3 GLN A 14 -7.976 7.810 -8.746 1.00 0.37 H new ATOM 0 HG2 GLN A 14 -10.404 6.390 -9.118 1.00 0.86 H new ATOM 0 HG3 GLN A 14 -10.782 7.571 -7.880 1.00 0.86 H new ATOM 0 HE21 GLN A 14 -10.760 7.180 -11.199 1.00 1.94 H new ATOM 0 HE22 GLN A 14 -10.553 8.868 -11.677 1.00 1.94 H new ATOM 232 N ARG A 15 -5.828 5.859 -7.670 1.00 0.25 N ATOM 233 CA ARG A 15 -4.375 5.757 -8.044 1.00 0.24 C ATOM 234 C ARG A 15 -3.850 4.321 -7.856 1.00 0.20 C ATOM 235 O ARG A 15 -3.132 3.805 -8.688 1.00 0.22 O ATOM 236 CB ARG A 15 -3.634 6.714 -7.097 1.00 0.25 C ATOM 237 CG ARG A 15 -4.247 8.117 -7.169 1.00 0.60 C ATOM 238 CD ARG A 15 -3.195 9.111 -7.663 1.00 0.61 C ATOM 239 NE ARG A 15 -3.958 10.367 -7.931 1.00 1.10 N ATOM 240 CZ ARG A 15 -4.017 10.850 -9.125 1.00 1.30 C ATOM 241 NH1 ARG A 15 -4.878 10.385 -9.964 1.00 1.94 N ATOM 242 NH2 ARG A 15 -3.207 11.790 -9.474 1.00 1.80 N ATOM 0 H ARG A 15 -6.009 6.118 -6.700 1.00 0.25 H new ATOM 0 HA ARG A 15 -4.223 6.014 -9.092 1.00 0.24 H new ATOM 0 HB2 ARG A 15 -3.688 6.339 -6.075 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -2.579 6.757 -7.366 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -5.105 8.116 -7.841 1.00 0.60 H new ATOM 0 HG3 ARG A 15 -4.612 8.416 -6.187 1.00 0.60 H new ATOM 0 HD2 ARG A 15 -2.419 9.271 -6.915 1.00 0.61 H new ATOM 0 HD3 ARG A 15 -2.700 8.749 -8.564 1.00 0.61 H new ATOM 0 HE ARG A 15 -4.434 10.845 -7.166 1.00 1.10 H new ATOM 0 HH11 ARG A 15 -5.511 9.636 -9.683 1.00 1.94 H new ATOM 0 HH12 ARG A 15 -4.926 10.766 -10.909 1.00 1.94 H new ATOM 0 HH21 ARG A 15 -2.524 12.148 -8.807 1.00 1.80 H new ATOM 0 HH22 ARG A 15 -3.249 12.176 -10.417 1.00 1.80 H new ATOM 256 N ILE A 16 -4.197 3.676 -6.773 1.00 0.19 N ATOM 257 CA ILE A 16 -3.710 2.278 -6.532 1.00 0.19 C ATOM 258 C ILE A 16 -4.078 1.364 -7.717 1.00 0.22 C ATOM 259 O ILE A 16 -3.310 0.505 -8.105 1.00 0.27 O ATOM 260 CB ILE A 16 -4.395 1.836 -5.219 1.00 0.18 C ATOM 261 CG1 ILE A 16 -3.467 0.902 -4.433 1.00 0.15 C ATOM 262 CG2 ILE A 16 -5.716 1.113 -5.504 1.00 0.21 C ATOM 263 CD1 ILE A 16 -3.227 -0.388 -5.218 1.00 0.16 C ATOM 0 H ILE A 16 -4.798 4.055 -6.041 1.00 0.19 H new ATOM 0 HA ILE A 16 -2.625 2.221 -6.446 1.00 0.19 H new ATOM 0 HB ILE A 16 -4.605 2.730 -4.631 1.00 0.18 H new ATOM 0 HG12 ILE A 16 -2.517 1.400 -4.239 1.00 0.15 H new ATOM 0 HG13 ILE A 16 -3.909 0.670 -3.464 1.00 0.15 H new ATOM 0 HG21 ILE A 16 -6.177 0.813 -4.563 1.00 0.21 H new ATOM 0 HG22 ILE A 16 -6.389 1.782 -6.040 1.00 0.21 H new ATOM 0 HG23 ILE A 16 -5.523 0.229 -6.112 1.00 0.21 H new ATOM 0 HD11 ILE A 16 -2.567 -1.043 -4.649 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -4.178 -0.892 -5.389 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -2.765 -0.150 -6.176 1.00 0.16 H new ATOM 275 N ALA A 17 -5.237 1.547 -8.296 1.00 0.23 N ATOM 276 CA ALA A 17 -5.646 0.691 -9.455 1.00 0.27 C ATOM 277 C ALA A 17 -5.515 1.446 -10.795 1.00 0.31 C ATOM 278 O ALA A 17 -5.377 0.837 -11.836 1.00 0.36 O ATOM 279 CB ALA A 17 -7.110 0.338 -9.173 1.00 0.30 C ATOM 0 H ALA A 17 -5.920 2.252 -8.018 1.00 0.23 H new ATOM 0 HA ALA A 17 -5.012 -0.190 -9.550 1.00 0.27 H new ATOM 0 HB1 ALA A 17 -7.494 -0.291 -9.976 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -7.179 -0.199 -8.227 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -7.700 1.253 -9.115 1.00 0.30 H new ATOM 285 N GLN A 18 -5.573 2.758 -10.785 1.00 0.31 N ATOM 286 CA GLN A 18 -5.472 3.525 -12.073 1.00 0.37 C ATOM 287 C GLN A 18 -4.451 4.682 -11.976 1.00 0.30 C ATOM 288 O GLN A 18 -4.709 5.782 -12.429 1.00 0.33 O ATOM 289 CB GLN A 18 -6.890 4.072 -12.285 1.00 0.47 C ATOM 290 CG GLN A 18 -7.244 4.064 -13.779 1.00 0.53 C ATOM 291 CD GLN A 18 -8.680 3.568 -13.976 1.00 0.96 C ATOM 292 OE1 GLN A 18 -8.933 2.720 -14.802 1.00 1.95 O ATOM 293 NE2 GLN A 18 -9.639 4.062 -13.254 1.00 1.03 N ATOM 0 H GLN A 18 -5.685 3.329 -9.947 1.00 0.31 H new ATOM 0 HA GLN A 18 -5.124 2.900 -12.895 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -7.608 3.467 -11.731 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -6.958 5.087 -11.893 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -7.138 5.067 -14.191 1.00 0.53 H new ATOM 0 HG3 GLN A 18 -6.551 3.421 -14.322 1.00 0.53 H new ATOM 0 HE21 GLN A 18 -9.435 4.777 -12.556 1.00 1.03 H new ATOM 0 HE22 GLN A 18 -10.596 3.735 -13.385 1.00 1.03 H new ATOM 302 N PHE A 19 -3.293 4.453 -11.401 1.00 0.34 N ATOM 303 CA PHE A 19 -2.278 5.560 -11.299 1.00 0.38 C ATOM 304 C PHE A 19 -1.802 5.985 -12.699 1.00 0.52 C ATOM 305 O PHE A 19 -1.987 7.115 -13.106 1.00 0.73 O ATOM 306 CB PHE A 19 -1.113 4.984 -10.481 1.00 0.70 C ATOM 307 CG PHE A 19 -0.051 6.044 -10.285 1.00 0.78 C ATOM 308 CD1 PHE A 19 -0.134 6.930 -9.202 1.00 0.64 C ATOM 309 CD2 PHE A 19 1.018 6.140 -11.184 1.00 1.66 C ATOM 310 CE1 PHE A 19 0.851 7.912 -9.022 1.00 0.69 C ATOM 311 CE2 PHE A 19 2.001 7.121 -11.004 1.00 1.78 C ATOM 312 CZ PHE A 19 1.917 8.006 -9.923 1.00 1.03 C ATOM 0 H PHE A 19 -3.006 3.560 -11.001 1.00 0.34 H new ATOM 0 HA PHE A 19 -2.697 6.448 -10.825 1.00 0.38 H new ATOM 0 HB2 PHE A 19 -1.474 4.634 -9.514 1.00 0.70 H new ATOM 0 HB3 PHE A 19 -0.688 4.121 -10.994 1.00 0.70 H new ATOM 0 HD1 PHE A 19 -0.957 6.856 -8.506 1.00 0.64 H new ATOM 0 HD2 PHE A 19 1.085 5.456 -12.018 1.00 1.66 H new ATOM 0 HE1 PHE A 19 0.787 8.595 -8.188 1.00 0.69 H new ATOM 0 HE2 PHE A 19 2.824 7.195 -11.699 1.00 1.78 H new ATOM 0 HZ PHE A 19 2.676 8.762 -9.784 1.00 1.03 H new ATOM 322 N ASN A 20 -1.191 5.088 -13.436 1.00 0.78 N ATOM 323 CA ASN A 20 -0.699 5.445 -14.811 1.00 1.17 C ATOM 324 C ASN A 20 -1.818 5.313 -15.858 1.00 1.42 C ATOM 325 O ASN A 20 -1.618 4.764 -16.925 1.00 2.01 O ATOM 326 CB ASN A 20 0.423 4.444 -15.099 1.00 1.57 C ATOM 327 CG ASN A 20 1.732 4.964 -14.511 1.00 1.67 C ATOM 328 OD1 ASN A 20 2.148 6.061 -14.797 1.00 1.48 O ATOM 329 ND2 ASN A 20 2.403 4.218 -13.691 1.00 2.39 N ATOM 0 H ASN A 20 -1.011 4.126 -13.149 1.00 0.78 H new ATOM 0 HA ASN A 20 -0.358 6.479 -14.859 1.00 1.17 H new ATOM 0 HB2 ASN A 20 0.178 3.473 -14.668 1.00 1.57 H new ATOM 0 HB3 ASN A 20 0.527 4.298 -16.174 1.00 1.57 H new ATOM 0 HD21 ASN A 20 3.277 4.558 -13.291 1.00 2.39 H new ATOM 0 HD22 ASN A 20 2.057 3.290 -13.446 1.00 2.39 H new ATOM 336 N VAL A 21 -2.986 5.814 -15.566 1.00 1.22 N ATOM 337 CA VAL A 21 -4.114 5.722 -16.545 1.00 1.52 C ATOM 338 C VAL A 21 -4.919 7.034 -16.523 1.00 1.54 C ATOM 339 O VAL A 21 -6.136 7.038 -16.575 1.00 1.66 O ATOM 340 CB VAL A 21 -4.960 4.515 -16.084 1.00 1.46 C ATOM 341 CG1 VAL A 21 -5.869 4.069 -17.231 1.00 1.34 C ATOM 342 CG2 VAL A 21 -4.046 3.344 -15.700 1.00 2.15 C ATOM 0 H VAL A 21 -3.212 6.285 -14.690 1.00 1.22 H new ATOM 0 HA VAL A 21 -3.777 5.582 -17.572 1.00 1.52 H new ATOM 0 HB VAL A 21 -5.555 4.811 -15.220 1.00 1.46 H new ATOM 0 HG11 VAL A 21 -6.468 3.217 -16.910 1.00 1.34 H new ATOM 0 HG12 VAL A 21 -6.528 4.890 -17.514 1.00 1.34 H new ATOM 0 HG13 VAL A 21 -5.259 3.782 -18.088 1.00 1.34 H new ATOM 0 HG21 VAL A 21 -4.654 2.499 -15.377 1.00 2.15 H new ATOM 0 HG22 VAL A 21 -3.448 3.051 -16.563 1.00 2.15 H new ATOM 0 HG23 VAL A 21 -3.386 3.649 -14.887 1.00 2.15 H new ATOM 352 N VAL A 22 -4.243 8.153 -16.448 1.00 2.15 N ATOM 353 CA VAL A 22 -4.961 9.464 -16.420 1.00 2.58 C ATOM 354 C VAL A 22 -4.783 10.221 -17.753 1.00 3.21 C ATOM 355 O VAL A 22 -5.555 11.136 -17.991 1.00 3.92 O ATOM 356 CB VAL A 22 -4.328 10.224 -15.240 1.00 3.20 C ATOM 357 CG1 VAL A 22 -3.144 11.069 -15.725 1.00 3.52 C ATOM 358 CG2 VAL A 22 -5.382 11.136 -14.609 1.00 3.65 C ATOM 359 OXT VAL A 22 -3.884 9.871 -18.509 1.00 3.46 O ATOM 0 H VAL A 22 -3.226 8.215 -16.405 1.00 2.15 H new ATOM 0 HA VAL A 22 -6.038 9.349 -16.296 1.00 2.58 H new ATOM 0 HB VAL A 22 -3.968 9.506 -14.503 1.00 3.20 H new ATOM 0 HG11 VAL A 22 -2.706 11.601 -14.880 1.00 3.52 H new ATOM 0 HG12 VAL A 22 -2.393 10.419 -16.173 1.00 3.52 H new ATOM 0 HG13 VAL A 22 -3.490 11.789 -16.467 1.00 3.52 H new ATOM 0 HG21 VAL A 22 -4.941 11.678 -13.772 1.00 3.65 H new ATOM 0 HG22 VAL A 22 -5.740 11.847 -15.353 1.00 3.65 H new ATOM 0 HG23 VAL A 22 -6.217 10.534 -14.251 1.00 3.65 H new TER 369 VAL A 22 ATOM 370 N SER B 1 7.726 13.189 8.493 1.00 1.77 N ATOM 371 CA SER B 1 7.246 12.188 7.479 1.00 1.14 C ATOM 372 C SER B 1 6.693 10.938 8.181 1.00 1.21 C ATOM 373 O SER B 1 7.248 9.862 8.078 1.00 2.15 O ATOM 374 CB SER B 1 8.484 11.835 6.637 1.00 1.81 C ATOM 375 OG SER B 1 9.326 12.985 6.528 1.00 2.50 O ATOM 0 H1 SER B 1 8.561 13.685 8.122 1.00 1.77 H new ATOM 0 H2 SER B 1 6.971 13.878 8.685 1.00 1.77 H new ATOM 0 H3 SER B 1 7.978 12.697 9.374 1.00 1.77 H new ATOM 0 HA SER B 1 6.440 12.586 6.863 1.00 1.14 H new ATOM 0 HB2 SER B 1 9.030 11.013 7.100 1.00 1.81 H new ATOM 0 HB3 SER B 1 8.180 11.498 5.646 1.00 1.81 H new ATOM 0 HG SER B 1 10.116 12.762 5.993 1.00 2.50 H new ATOM 383 N GLU B 2 5.607 11.071 8.903 1.00 0.72 N ATOM 384 CA GLU B 2 5.040 9.883 9.613 1.00 0.76 C ATOM 385 C GLU B 2 3.510 9.834 9.491 1.00 0.68 C ATOM 386 O GLU B 2 2.796 9.788 10.472 1.00 1.02 O ATOM 387 CB GLU B 2 5.479 10.054 11.069 1.00 1.10 C ATOM 388 CG GLU B 2 6.468 8.935 11.402 1.00 1.44 C ATOM 389 CD GLU B 2 6.614 8.772 12.909 1.00 1.84 C ATOM 390 OE1 GLU B 2 6.995 9.729 13.555 1.00 2.07 O ATOM 391 OE2 GLU B 2 6.360 7.677 13.380 1.00 2.53 O ATOM 0 H GLU B 2 5.093 11.943 9.031 1.00 0.72 H new ATOM 0 HA GLU B 2 5.395 8.945 9.187 1.00 0.76 H new ATOM 0 HB2 GLU B 2 5.944 11.029 11.214 1.00 1.10 H new ATOM 0 HB3 GLU B 2 4.617 10.010 11.734 1.00 1.10 H new ATOM 0 HG2 GLU B 2 6.126 7.998 10.962 1.00 1.44 H new ATOM 0 HG3 GLU B 2 7.439 9.159 10.960 1.00 1.44 H new ATOM 398 N PHE B 3 3.001 9.826 8.290 1.00 0.45 N ATOM 399 CA PHE B 3 1.518 9.766 8.114 1.00 0.39 C ATOM 400 C PHE B 3 1.007 8.332 8.335 1.00 0.36 C ATOM 401 O PHE B 3 0.481 7.703 7.438 1.00 0.37 O ATOM 402 CB PHE B 3 1.266 10.232 6.673 1.00 0.37 C ATOM 403 CG PHE B 3 0.680 11.624 6.684 1.00 0.53 C ATOM 404 CD1 PHE B 3 1.213 12.605 7.530 1.00 1.32 C ATOM 405 CD2 PHE B 3 -0.387 11.935 5.834 1.00 1.31 C ATOM 406 CE1 PHE B 3 0.675 13.896 7.530 1.00 1.42 C ATOM 407 CE2 PHE B 3 -0.924 13.228 5.832 1.00 1.42 C ATOM 408 CZ PHE B 3 -0.392 14.209 6.679 1.00 0.92 C ATOM 0 H PHE B 3 3.542 9.858 7.426 1.00 0.45 H new ATOM 0 HA PHE B 3 0.991 10.392 8.834 1.00 0.39 H new ATOM 0 HB2 PHE B 3 2.199 10.224 6.109 1.00 0.37 H new ATOM 0 HB3 PHE B 3 0.585 9.544 6.172 1.00 0.37 H new ATOM 0 HD1 PHE B 3 2.039 12.364 8.182 1.00 1.32 H new ATOM 0 HD2 PHE B 3 -0.796 11.179 5.180 1.00 1.31 H new ATOM 0 HE1 PHE B 3 1.082 14.651 8.186 1.00 1.42 H new ATOM 0 HE2 PHE B 3 -1.748 13.469 5.177 1.00 1.42 H new ATOM 0 HZ PHE B 3 -0.805 15.207 6.676 1.00 0.92 H new ATOM 418 N ILE B 4 1.145 7.816 9.533 1.00 0.40 N ATOM 419 CA ILE B 4 0.649 6.423 9.817 1.00 0.44 C ATOM 420 C ILE B 4 -0.837 6.297 9.432 1.00 0.41 C ATOM 421 O ILE B 4 -1.300 5.246 9.034 1.00 0.41 O ATOM 422 CB ILE B 4 0.843 6.205 11.330 1.00 0.57 C ATOM 423 CG1 ILE B 4 0.111 7.293 12.128 1.00 0.72 C ATOM 424 CG2 ILE B 4 2.333 6.255 11.679 1.00 1.33 C ATOM 425 CD1 ILE B 4 -1.173 6.717 12.731 1.00 1.10 C ATOM 0 H ILE B 4 1.576 8.292 10.325 1.00 0.40 H new ATOM 0 HA ILE B 4 1.192 5.675 9.238 1.00 0.44 H new ATOM 0 HB ILE B 4 0.433 5.229 11.589 1.00 0.57 H new ATOM 0 HG12 ILE B 4 0.757 7.673 12.919 1.00 0.72 H new ATOM 0 HG13 ILE B 4 -0.127 8.135 11.479 1.00 0.72 H new ATOM 0 HG21 ILE B 4 2.461 6.100 12.750 1.00 1.33 H new ATOM 0 HG22 ILE B 4 2.861 5.473 11.133 1.00 1.33 H new ATOM 0 HG23 ILE B 4 2.739 7.228 11.402 1.00 1.33 H new ATOM 0 HD11 ILE B 4 -1.689 7.493 13.297 1.00 1.10 H new ATOM 0 HD12 ILE B 4 -1.821 6.358 11.932 1.00 1.10 H new ATOM 0 HD13 ILE B 4 -0.924 5.889 13.395 1.00 1.10 H new ATOM 437 N THR B 5 -1.583 7.371 9.538 1.00 0.40 N ATOM 438 CA THR B 5 -3.039 7.332 9.175 1.00 0.39 C ATOM 439 C THR B 5 -3.234 6.968 7.695 1.00 0.33 C ATOM 440 O THR B 5 -4.269 6.463 7.315 1.00 0.34 O ATOM 441 CB THR B 5 -3.557 8.750 9.442 1.00 0.43 C ATOM 442 OG1 THR B 5 -3.316 9.090 10.797 1.00 1.32 O ATOM 443 CG2 THR B 5 -5.058 8.817 9.176 1.00 1.20 C ATOM 0 H THR B 5 -1.246 8.278 9.862 1.00 0.40 H new ATOM 0 HA THR B 5 -3.573 6.578 9.753 1.00 0.39 H new ATOM 0 HB THR B 5 -3.040 9.447 8.782 1.00 0.43 H new ATOM 0 HG1 THR B 5 -3.645 9.997 10.970 1.00 1.32 H new ATOM 0 HG21 THR B 5 -5.417 9.828 9.368 1.00 1.20 H new ATOM 0 HG22 THR B 5 -5.255 8.553 8.137 1.00 1.20 H new ATOM 0 HG23 THR B 5 -5.575 8.117 9.832 1.00 1.20 H new ATOM 451 N VAL B 6 -2.254 7.221 6.860 1.00 0.28 N ATOM 452 CA VAL B 6 -2.393 6.891 5.403 1.00 0.24 C ATOM 453 C VAL B 6 -2.521 5.371 5.187 1.00 0.24 C ATOM 454 O VAL B 6 -3.137 4.925 4.238 1.00 0.22 O ATOM 455 CB VAL B 6 -1.122 7.454 4.740 1.00 0.24 C ATOM 456 CG1 VAL B 6 0.005 6.414 4.748 1.00 0.24 C ATOM 457 CG2 VAL B 6 -1.437 7.836 3.295 1.00 0.29 C ATOM 0 H VAL B 6 -1.363 7.642 7.123 1.00 0.28 H new ATOM 0 HA VAL B 6 -3.295 7.324 4.970 1.00 0.24 H new ATOM 0 HB VAL B 6 -0.795 8.329 5.302 1.00 0.24 H new ATOM 0 HG11 VAL B 6 0.892 6.835 4.274 1.00 0.24 H new ATOM 0 HG12 VAL B 6 0.239 6.139 5.776 1.00 0.24 H new ATOM 0 HG13 VAL B 6 -0.314 5.528 4.199 1.00 0.24 H new ATOM 0 HG21 VAL B 6 -0.541 8.235 2.821 1.00 0.29 H new ATOM 0 HG22 VAL B 6 -1.773 6.954 2.750 1.00 0.29 H new ATOM 0 HG23 VAL B 6 -2.222 8.592 3.281 1.00 0.29 H new ATOM 467 N ALA B 7 -1.960 4.576 6.061 1.00 0.30 N ATOM 468 CA ALA B 7 -2.061 3.090 5.904 1.00 0.33 C ATOM 469 C ALA B 7 -3.518 2.616 6.056 1.00 0.35 C ATOM 470 O ALA B 7 -3.954 1.702 5.378 1.00 0.45 O ATOM 471 CB ALA B 7 -1.192 2.523 7.027 1.00 0.39 C ATOM 0 H ALA B 7 -1.436 4.890 6.878 1.00 0.30 H new ATOM 0 HA ALA B 7 -1.735 2.760 4.918 1.00 0.33 H new ATOM 0 HB1 ALA B 7 -1.209 1.434 6.986 1.00 0.39 H new ATOM 0 HB2 ALA B 7 -0.167 2.874 6.907 1.00 0.39 H new ATOM 0 HB3 ALA B 7 -1.579 2.856 7.990 1.00 0.39 H new ATOM 477 N ARG B 8 -4.270 3.230 6.941 1.00 0.31 N ATOM 478 CA ARG B 8 -5.701 2.817 7.145 1.00 0.33 C ATOM 479 C ARG B 8 -6.475 2.816 5.811 1.00 0.30 C ATOM 480 O ARG B 8 -7.041 1.804 5.438 1.00 0.32 O ATOM 481 CB ARG B 8 -6.288 3.842 8.123 1.00 0.35 C ATOM 482 CG ARG B 8 -7.185 3.119 9.128 1.00 0.40 C ATOM 483 CD ARG B 8 -7.845 4.135 10.060 1.00 1.05 C ATOM 484 NE ARG B 8 -8.310 3.317 11.223 1.00 1.39 N ATOM 485 CZ ARG B 8 -7.709 3.394 12.366 1.00 2.15 C ATOM 486 NH1 ARG B 8 -7.891 4.425 13.122 1.00 2.90 N ATOM 487 NH2 ARG B 8 -6.933 2.435 12.742 1.00 2.77 N ATOM 0 H ARG B 8 -3.956 4.000 7.532 1.00 0.31 H new ATOM 0 HA ARG B 8 -5.773 1.802 7.536 1.00 0.33 H new ATOM 0 HB2 ARG B 8 -5.487 4.366 8.644 1.00 0.35 H new ATOM 0 HB3 ARG B 8 -6.861 4.594 7.580 1.00 0.35 H new ATOM 0 HG2 ARG B 8 -7.948 2.546 8.601 1.00 0.40 H new ATOM 0 HG3 ARG B 8 -6.597 2.408 9.708 1.00 0.40 H new ATOM 0 HD2 ARG B 8 -7.140 4.906 10.372 1.00 1.05 H new ATOM 0 HD3 ARG B 8 -8.677 4.642 9.571 1.00 1.05 H new ATOM 0 HE ARG B 8 -9.109 2.692 11.114 1.00 1.39 H new ATOM 0 HH11 ARG B 8 -8.508 5.178 12.818 1.00 2.90 H new ATOM 0 HH12 ARG B 8 -7.418 4.486 14.023 1.00 2.90 H new ATOM 0 HH21 ARG B 8 -6.797 1.623 12.140 1.00 2.77 H new ATOM 0 HH22 ARG B 8 -6.456 2.488 13.642 1.00 2.77 H new ATOM 501 N PRO B 9 -6.468 3.939 5.123 1.00 0.27 N ATOM 502 CA PRO B 9 -7.169 4.027 3.817 1.00 0.26 C ATOM 503 C PRO B 9 -6.445 3.167 2.770 1.00 0.25 C ATOM 504 O PRO B 9 -7.077 2.490 1.983 1.00 0.31 O ATOM 505 CB PRO B 9 -7.104 5.513 3.470 1.00 0.27 C ATOM 506 CG PRO B 9 -5.921 6.027 4.220 1.00 0.26 C ATOM 507 CD PRO B 9 -5.823 5.210 5.479 1.00 0.26 C ATOM 0 HA PRO B 9 -8.195 3.659 3.847 1.00 0.26 H new ATOM 0 HB2 PRO B 9 -6.988 5.664 2.397 1.00 0.27 H new ATOM 0 HB3 PRO B 9 -8.016 6.029 3.768 1.00 0.27 H new ATOM 0 HG2 PRO B 9 -5.013 5.932 3.624 1.00 0.26 H new ATOM 0 HG3 PRO B 9 -6.040 7.085 4.453 1.00 0.26 H new ATOM 0 HD2 PRO B 9 -4.786 5.062 5.780 1.00 0.26 H new ATOM 0 HD3 PRO B 9 -6.330 5.696 6.312 1.00 0.26 H new ATOM 515 N TYR B 10 -5.129 3.175 2.761 1.00 0.23 N ATOM 516 CA TYR B 10 -4.374 2.338 1.768 1.00 0.22 C ATOM 517 C TYR B 10 -4.851 0.880 1.833 1.00 0.22 C ATOM 518 O TYR B 10 -5.212 0.293 0.830 1.00 0.32 O ATOM 519 CB TYR B 10 -2.897 2.431 2.184 1.00 0.22 C ATOM 520 CG TYR B 10 -2.232 3.610 1.507 1.00 0.19 C ATOM 521 CD1 TYR B 10 -2.524 3.918 0.174 1.00 1.23 C ATOM 522 CD2 TYR B 10 -1.319 4.393 2.218 1.00 1.17 C ATOM 523 CE1 TYR B 10 -1.907 5.016 -0.443 1.00 1.20 C ATOM 524 CE2 TYR B 10 -0.702 5.488 1.599 1.00 1.19 C ATOM 525 CZ TYR B 10 -0.994 5.796 0.271 1.00 0.15 C ATOM 526 OH TYR B 10 -0.391 6.878 -0.331 1.00 0.15 O ATOM 0 H TYR B 10 -4.548 3.723 3.396 1.00 0.23 H new ATOM 0 HA TYR B 10 -4.529 2.686 0.747 1.00 0.22 H new ATOM 0 HB2 TYR B 10 -2.823 2.536 3.266 1.00 0.22 H new ATOM 0 HB3 TYR B 10 -2.379 1.510 1.917 1.00 0.22 H new ATOM 0 HD1 TYR B 10 -3.224 3.310 -0.380 1.00 1.23 H new ATOM 0 HD2 TYR B 10 -1.089 4.154 3.246 1.00 1.17 H new ATOM 0 HE1 TYR B 10 -2.138 5.258 -1.470 1.00 1.20 H new ATOM 0 HE2 TYR B 10 0.001 6.094 2.151 1.00 1.19 H new ATOM 0 HH TYR B 10 0.215 7.311 0.306 1.00 0.15 H new ATOM 536 N ALA B 11 -4.864 0.299 3.009 1.00 0.37 N ATOM 537 CA ALA B 11 -5.327 -1.119 3.149 1.00 0.41 C ATOM 538 C ALA B 11 -6.760 -1.278 2.614 1.00 0.40 C ATOM 539 O ALA B 11 -7.095 -2.277 2.009 1.00 0.40 O ATOM 540 CB ALA B 11 -5.281 -1.399 4.654 1.00 0.50 C ATOM 0 H ALA B 11 -4.574 0.746 3.879 1.00 0.37 H new ATOM 0 HA ALA B 11 -4.705 -1.811 2.581 1.00 0.41 H new ATOM 0 HB1 ALA B 11 -5.607 -2.422 4.844 1.00 0.50 H new ATOM 0 HB2 ALA B 11 -4.261 -1.269 5.017 1.00 0.50 H new ATOM 0 HB3 ALA B 11 -5.942 -0.705 5.174 1.00 0.50 H new ATOM 546 N LYS B 12 -7.602 -0.302 2.836 1.00 0.40 N ATOM 547 CA LYS B 12 -9.011 -0.395 2.348 1.00 0.40 C ATOM 548 C LYS B 12 -9.126 0.000 0.866 1.00 0.36 C ATOM 549 O LYS B 12 -9.578 -0.778 0.054 1.00 0.36 O ATOM 550 CB LYS B 12 -9.793 0.570 3.232 1.00 0.44 C ATOM 551 CG LYS B 12 -11.283 0.299 3.055 1.00 0.79 C ATOM 552 CD LYS B 12 -12.082 1.246 3.944 1.00 1.16 C ATOM 553 CE LYS B 12 -13.506 1.360 3.402 1.00 1.74 C ATOM 554 NZ LYS B 12 -14.219 2.220 4.393 1.00 2.12 N ATOM 0 H LYS B 12 -7.374 0.558 3.335 1.00 0.40 H new ATOM 0 HA LYS B 12 -9.392 -1.415 2.409 1.00 0.40 H new ATOM 0 HB2 LYS B 12 -9.507 0.442 4.276 1.00 0.44 H new ATOM 0 HB3 LYS B 12 -9.562 1.601 2.963 1.00 0.44 H new ATOM 0 HG2 LYS B 12 -11.567 0.436 2.012 1.00 0.79 H new ATOM 0 HG3 LYS B 12 -11.508 -0.736 3.313 1.00 0.79 H new ATOM 0 HD2 LYS B 12 -12.099 0.875 4.969 1.00 1.16 H new ATOM 0 HD3 LYS B 12 -11.609 2.228 3.968 1.00 1.16 H new ATOM 0 HE2 LYS B 12 -13.517 1.808 2.408 1.00 1.74 H new ATOM 0 HE3 LYS B 12 -13.977 0.381 3.316 1.00 1.74 H new ATOM 0 HZ1 LYS B 12 -15.207 2.348 4.094 1.00 2.12 H new ATOM 0 HZ2 LYS B 12 -14.196 1.765 5.328 1.00 2.12 H new ATOM 0 HZ3 LYS B 12 -13.751 3.147 4.448 1.00 2.12 H new ATOM 568 N ALA B 13 -8.719 1.194 0.504 1.00 0.33 N ATOM 569 CA ALA B 13 -8.808 1.620 -0.935 1.00 0.30 C ATOM 570 C ALA B 13 -8.174 0.559 -1.845 1.00 0.27 C ATOM 571 O ALA B 13 -8.687 0.242 -2.902 1.00 0.29 O ATOM 572 CB ALA B 13 -8.023 2.929 -1.011 1.00 0.30 C ATOM 0 H ALA B 13 -8.330 1.892 1.138 1.00 0.33 H new ATOM 0 HA ALA B 13 -9.840 1.744 -1.264 1.00 0.30 H new ATOM 0 HB1 ALA B 13 -8.041 3.305 -2.034 1.00 0.30 H new ATOM 0 HB2 ALA B 13 -8.476 3.664 -0.346 1.00 0.30 H new ATOM 0 HB3 ALA B 13 -6.991 2.753 -0.708 1.00 0.30 H new ATOM 578 N ALA B 14 -7.072 0.000 -1.424 1.00 0.27 N ATOM 579 CA ALA B 14 -6.404 -1.060 -2.234 1.00 0.28 C ATOM 580 C ALA B 14 -7.242 -2.358 -2.187 1.00 0.30 C ATOM 581 O ALA B 14 -7.210 -3.157 -3.100 1.00 0.41 O ATOM 582 CB ALA B 14 -5.039 -1.234 -1.563 1.00 0.32 C ATOM 0 H ALA B 14 -6.603 0.233 -0.549 1.00 0.27 H new ATOM 0 HA ALA B 14 -6.302 -0.807 -3.289 1.00 0.28 H new ATOM 0 HB1 ALA B 14 -4.469 -1.999 -2.091 1.00 0.32 H new ATOM 0 HB2 ALA B 14 -4.495 -0.290 -1.594 1.00 0.32 H new ATOM 0 HB3 ALA B 14 -5.180 -1.538 -0.526 1.00 0.32 H new ATOM 588 N PHE B 15 -8.011 -2.547 -1.138 1.00 0.28 N ATOM 589 CA PHE B 15 -8.883 -3.762 -1.020 1.00 0.27 C ATOM 590 C PHE B 15 -10.184 -3.551 -1.816 1.00 0.25 C ATOM 591 O PHE B 15 -10.635 -4.434 -2.522 1.00 0.26 O ATOM 592 CB PHE B 15 -9.173 -3.875 0.485 1.00 0.30 C ATOM 593 CG PHE B 15 -10.102 -5.034 0.765 1.00 0.28 C ATOM 594 CD1 PHE B 15 -9.580 -6.318 0.944 1.00 0.27 C ATOM 595 CD2 PHE B 15 -11.484 -4.822 0.860 1.00 0.32 C ATOM 596 CE1 PHE B 15 -10.435 -7.393 1.218 1.00 0.28 C ATOM 597 CE2 PHE B 15 -12.341 -5.896 1.132 1.00 0.33 C ATOM 598 CZ PHE B 15 -11.816 -7.182 1.311 1.00 0.86 C ATOM 0 H PHE B 15 -8.072 -1.903 -0.349 1.00 0.28 H new ATOM 0 HA PHE B 15 -8.416 -4.664 -1.416 1.00 0.27 H new ATOM 0 HB2 PHE B 15 -8.239 -4.011 1.031 1.00 0.30 H new ATOM 0 HB3 PHE B 15 -9.621 -2.949 0.845 1.00 0.30 H new ATOM 0 HD1 PHE B 15 -8.515 -6.482 0.871 1.00 0.27 H new ATOM 0 HD2 PHE B 15 -11.888 -3.830 0.723 1.00 0.32 H new ATOM 0 HE1 PHE B 15 -10.029 -8.384 1.357 1.00 0.28 H new ATOM 0 HE2 PHE B 15 -13.406 -5.733 1.204 1.00 0.33 H new ATOM 0 HZ PHE B 15 -12.476 -8.011 1.521 1.00 0.86 H new ATOM 608 N ASP B 16 -10.776 -2.380 -1.704 1.00 0.26 N ATOM 609 CA ASP B 16 -12.046 -2.063 -2.442 1.00 0.28 C ATOM 610 C ASP B 16 -12.009 -2.635 -3.876 1.00 0.26 C ATOM 611 O ASP B 16 -12.798 -3.489 -4.241 1.00 0.29 O ATOM 612 CB ASP B 16 -12.084 -0.523 -2.474 1.00 0.31 C ATOM 613 CG ASP B 16 -12.997 0.025 -1.375 1.00 0.44 C ATOM 614 OD1 ASP B 16 -12.748 -0.260 -0.217 1.00 1.21 O ATOM 615 OD2 ASP B 16 -13.916 0.754 -1.713 1.00 1.13 O ATOM 0 H ASP B 16 -10.426 -1.619 -1.122 1.00 0.26 H new ATOM 0 HA ASP B 16 -12.924 -2.498 -1.965 1.00 0.28 H new ATOM 0 HB2 ASP B 16 -11.076 -0.128 -2.345 1.00 0.31 H new ATOM 0 HB3 ASP B 16 -12.437 -0.184 -3.448 1.00 0.31 H new ATOM 620 N PHE B 17 -11.086 -2.174 -4.685 1.00 0.24 N ATOM 621 CA PHE B 17 -10.986 -2.686 -6.089 1.00 0.24 C ATOM 622 C PHE B 17 -10.411 -4.119 -6.109 1.00 0.23 C ATOM 623 O PHE B 17 -10.755 -4.917 -6.962 1.00 0.28 O ATOM 624 CB PHE B 17 -10.076 -1.673 -6.814 1.00 0.25 C ATOM 625 CG PHE B 17 -8.669 -2.207 -6.957 1.00 0.24 C ATOM 626 CD1 PHE B 17 -7.727 -1.975 -5.949 1.00 0.68 C ATOM 627 CD2 PHE B 17 -8.307 -2.924 -8.102 1.00 0.68 C ATOM 628 CE1 PHE B 17 -6.424 -2.462 -6.086 1.00 1.74 C ATOM 629 CE2 PHE B 17 -7.004 -3.412 -8.239 1.00 1.71 C ATOM 630 CZ PHE B 17 -6.062 -3.181 -7.231 1.00 0.28 C ATOM 0 H PHE B 17 -10.397 -1.465 -4.434 1.00 0.24 H new ATOM 0 HA PHE B 17 -11.956 -2.762 -6.581 1.00 0.24 H new ATOM 0 HB2 PHE B 17 -10.486 -1.452 -7.800 1.00 0.25 H new ATOM 0 HB3 PHE B 17 -10.057 -0.735 -6.259 1.00 0.25 H new ATOM 0 HD1 PHE B 17 -8.006 -1.420 -5.066 1.00 0.68 H new ATOM 0 HD2 PHE B 17 -9.034 -3.101 -8.881 1.00 0.68 H new ATOM 0 HE1 PHE B 17 -5.696 -2.283 -5.308 1.00 1.74 H new ATOM 0 HE2 PHE B 17 -6.725 -3.967 -9.122 1.00 1.71 H new ATOM 0 HZ PHE B 17 -5.055 -3.558 -7.336 1.00 0.28 H new ATOM 640 N ALA B 18 -9.560 -4.462 -5.166 1.00 0.22 N ATOM 641 CA ALA B 18 -9.000 -5.854 -5.134 1.00 0.26 C ATOM 642 C ALA B 18 -10.148 -6.876 -5.034 1.00 0.29 C ATOM 643 O ALA B 18 -10.016 -8.014 -5.448 1.00 0.36 O ATOM 644 CB ALA B 18 -8.111 -5.911 -3.888 1.00 0.29 C ATOM 0 H ALA B 18 -9.232 -3.844 -4.424 1.00 0.22 H new ATOM 0 HA ALA B 18 -8.434 -6.092 -6.035 1.00 0.26 H new ATOM 0 HB1 ALA B 18 -7.668 -6.903 -3.802 1.00 0.29 H new ATOM 0 HB2 ALA B 18 -7.320 -5.166 -3.971 1.00 0.29 H new ATOM 0 HB3 ALA B 18 -8.712 -5.704 -3.002 1.00 0.29 H new ATOM 650 N VAL B 19 -11.272 -6.470 -4.495 1.00 0.27 N ATOM 651 CA VAL B 19 -12.443 -7.397 -4.374 1.00 0.33 C ATOM 652 C VAL B 19 -13.175 -7.502 -5.725 1.00 0.42 C ATOM 653 O VAL B 19 -13.465 -8.586 -6.197 1.00 0.55 O ATOM 654 CB VAL B 19 -13.351 -6.748 -3.319 1.00 0.35 C ATOM 655 CG1 VAL B 19 -14.654 -7.539 -3.188 1.00 0.46 C ATOM 656 CG2 VAL B 19 -12.641 -6.739 -1.966 1.00 0.33 C ATOM 0 H VAL B 19 -11.430 -5.530 -4.131 1.00 0.27 H new ATOM 0 HA VAL B 19 -12.147 -8.408 -4.093 1.00 0.33 H new ATOM 0 HB VAL B 19 -13.574 -5.727 -3.630 1.00 0.35 H new ATOM 0 HG11 VAL B 19 -15.290 -7.070 -2.437 1.00 0.46 H new ATOM 0 HG12 VAL B 19 -15.171 -7.549 -4.147 1.00 0.46 H new ATOM 0 HG13 VAL B 19 -14.430 -8.562 -2.886 1.00 0.46 H new ATOM 0 HG21 VAL B 19 -13.287 -6.278 -1.219 1.00 0.33 H new ATOM 0 HG22 VAL B 19 -12.414 -7.762 -1.667 1.00 0.33 H new ATOM 0 HG23 VAL B 19 -11.715 -6.170 -2.045 1.00 0.33 H new ATOM 666 N GLU B 20 -13.470 -6.382 -6.343 1.00 0.40 N ATOM 667 CA GLU B 20 -14.187 -6.393 -7.665 1.00 0.51 C ATOM 668 C GLU B 20 -13.449 -7.271 -8.690 1.00 0.55 C ATOM 669 O GLU B 20 -14.052 -8.062 -9.390 1.00 0.72 O ATOM 670 CB GLU B 20 -14.206 -4.927 -8.117 1.00 0.52 C ATOM 671 CG GLU B 20 -15.628 -4.537 -8.542 1.00 1.19 C ATOM 672 CD GLU B 20 -15.721 -3.023 -8.735 1.00 1.67 C ATOM 673 OE1 GLU B 20 -15.568 -2.310 -7.757 1.00 2.37 O ATOM 674 OE2 GLU B 20 -15.950 -2.605 -9.856 1.00 2.10 O ATOM 0 H GLU B 20 -13.244 -5.453 -5.988 1.00 0.40 H new ATOM 0 HA GLU B 20 -15.190 -6.810 -7.578 1.00 0.51 H new ATOM 0 HB2 GLU B 20 -13.868 -4.282 -7.306 1.00 0.52 H new ATOM 0 HB3 GLU B 20 -13.515 -4.783 -8.948 1.00 0.52 H new ATOM 0 HG2 GLU B 20 -15.892 -5.047 -9.469 1.00 1.19 H new ATOM 0 HG3 GLU B 20 -16.344 -4.860 -7.786 1.00 1.19 H new ATOM 681 N HIS B 21 -12.151 -7.145 -8.782 1.00 0.56 N ATOM 682 CA HIS B 21 -11.383 -7.982 -9.764 1.00 0.72 C ATOM 683 C HIS B 21 -10.960 -9.328 -9.134 1.00 0.75 C ATOM 684 O HIS B 21 -10.053 -9.979 -9.614 1.00 1.23 O ATOM 685 CB HIS B 21 -10.147 -7.145 -10.119 1.00 0.81 C ATOM 686 CG HIS B 21 -10.559 -5.842 -10.753 1.00 0.70 C ATOM 687 ND1 HIS B 21 -9.664 -4.805 -10.935 1.00 0.81 N ATOM 688 CD2 HIS B 21 -11.760 -5.392 -11.245 1.00 1.38 C ATOM 689 CE1 HIS B 21 -10.332 -3.788 -11.515 1.00 0.73 C ATOM 690 NE2 HIS B 21 -11.613 -4.094 -11.725 1.00 1.42 N ATOM 0 H HIS B 21 -11.587 -6.503 -8.224 1.00 0.56 H new ATOM 0 HA HIS B 21 -11.983 -8.227 -10.641 1.00 0.72 H new ATOM 0 HB2 HIS B 21 -9.562 -6.950 -9.220 1.00 0.81 H new ATOM 0 HB3 HIS B 21 -9.506 -7.703 -10.802 1.00 0.81 H new ATOM 0 HD2 HIS B 21 -12.679 -5.959 -11.257 1.00 1.38 H new ATOM 0 HE1 HIS B 21 -9.884 -2.841 -11.778 1.00 0.73 H new ATOM 0 HE2 HIS B 21 -12.330 -3.504 -12.147 1.00 1.42 H new ATOM 698 N GLN B 22 -11.605 -9.740 -8.062 1.00 0.52 N ATOM 699 CA GLN B 22 -11.245 -11.033 -7.383 1.00 0.53 C ATOM 700 C GLN B 22 -9.727 -11.120 -7.119 1.00 0.52 C ATOM 701 O GLN B 22 -9.144 -12.187 -7.110 1.00 0.65 O ATOM 702 CB GLN B 22 -11.711 -12.141 -8.338 1.00 0.62 C ATOM 703 CG GLN B 22 -12.447 -13.224 -7.533 1.00 1.29 C ATOM 704 CD GLN B 22 -12.244 -14.596 -8.181 1.00 1.42 C ATOM 705 OE1 GLN B 22 -12.774 -14.868 -9.236 1.00 1.57 O ATOM 706 NE2 GLN B 22 -11.507 -15.485 -7.588 1.00 2.20 N ATOM 0 H GLN B 22 -12.373 -9.230 -7.625 1.00 0.52 H new ATOM 0 HA GLN B 22 -11.722 -11.121 -6.407 1.00 0.53 H new ATOM 0 HB2 GLN B 22 -12.370 -11.727 -9.101 1.00 0.62 H new ATOM 0 HB3 GLN B 22 -10.856 -12.574 -8.857 1.00 0.62 H new ATOM 0 HG2 GLN B 22 -12.077 -13.240 -6.508 1.00 1.29 H new ATOM 0 HG3 GLN B 22 -13.511 -12.991 -7.484 1.00 1.29 H new ATOM 0 HE21 GLN B 22 -11.057 -15.264 -6.700 1.00 2.20 H new ATOM 0 HE22 GLN B 22 -11.378 -16.404 -8.011 1.00 2.20 H new ATOM 715 N SER B 23 -9.087 -10.002 -6.887 1.00 0.44 N ATOM 716 CA SER B 23 -7.614 -10.015 -6.613 1.00 0.44 C ATOM 717 C SER B 23 -7.342 -10.317 -5.133 1.00 0.40 C ATOM 718 O SER B 23 -6.353 -10.936 -4.803 1.00 0.42 O ATOM 719 CB SER B 23 -7.120 -8.608 -6.964 1.00 0.44 C ATOM 720 OG SER B 23 -7.027 -8.479 -8.379 1.00 0.53 O ATOM 0 H SER B 23 -9.520 -9.078 -6.875 1.00 0.44 H new ATOM 0 HA SER B 23 -7.105 -10.784 -7.194 1.00 0.44 H new ATOM 0 HB2 SER B 23 -7.804 -7.860 -6.564 1.00 0.44 H new ATOM 0 HB3 SER B 23 -6.147 -8.427 -6.507 1.00 0.44 H new ATOM 0 HG SER B 23 -6.713 -7.579 -8.605 1.00 0.53 H new ATOM 726 N VAL B 24 -8.211 -9.867 -4.249 1.00 0.36 N ATOM 727 CA VAL B 24 -8.036 -10.096 -2.764 1.00 0.33 C ATOM 728 C VAL B 24 -7.297 -11.416 -2.453 1.00 0.34 C ATOM 729 O VAL B 24 -6.341 -11.424 -1.700 1.00 0.34 O ATOM 730 CB VAL B 24 -9.468 -10.123 -2.207 1.00 0.32 C ATOM 731 CG1 VAL B 24 -9.500 -10.841 -0.856 1.00 0.32 C ATOM 732 CG2 VAL B 24 -9.965 -8.691 -2.011 1.00 0.32 C ATOM 0 H VAL B 24 -9.050 -9.341 -4.496 1.00 0.36 H new ATOM 0 HA VAL B 24 -7.421 -9.317 -2.313 1.00 0.33 H new ATOM 0 HB VAL B 24 -10.107 -10.652 -2.914 1.00 0.32 H new ATOM 0 HG11 VAL B 24 -10.521 -10.852 -0.474 1.00 0.32 H new ATOM 0 HG12 VAL B 24 -9.148 -11.865 -0.980 1.00 0.32 H new ATOM 0 HG13 VAL B 24 -8.854 -10.318 -0.151 1.00 0.32 H new ATOM 0 HG21 VAL B 24 -10.981 -8.709 -1.616 1.00 0.32 H new ATOM 0 HG22 VAL B 24 -9.312 -8.172 -1.309 1.00 0.32 H new ATOM 0 HG23 VAL B 24 -9.957 -8.169 -2.968 1.00 0.32 H new ATOM 742 N GLU B 25 -7.728 -12.518 -3.020 1.00 0.37 N ATOM 743 CA GLU B 25 -7.047 -13.833 -2.752 1.00 0.39 C ATOM 744 C GLU B 25 -5.532 -13.727 -3.023 1.00 0.38 C ATOM 745 O GLU B 25 -4.728 -13.767 -2.111 1.00 0.38 O ATOM 746 CB GLU B 25 -7.711 -14.828 -3.713 1.00 0.43 C ATOM 747 CG GLU B 25 -9.181 -15.026 -3.317 1.00 0.43 C ATOM 748 CD GLU B 25 -9.787 -16.160 -4.139 1.00 0.71 C ATOM 749 OE1 GLU B 25 -9.662 -17.298 -3.723 1.00 1.44 O ATOM 750 OE2 GLU B 25 -10.367 -15.868 -5.168 1.00 1.14 O ATOM 0 H GLU B 25 -8.522 -12.567 -3.658 1.00 0.37 H new ATOM 0 HA GLU B 25 -7.150 -14.145 -1.713 1.00 0.39 H new ATOM 0 HB2 GLU B 25 -7.646 -14.458 -4.736 1.00 0.43 H new ATOM 0 HB3 GLU B 25 -7.185 -15.782 -3.685 1.00 0.43 H new ATOM 0 HG2 GLU B 25 -9.253 -15.256 -2.254 1.00 0.43 H new ATOM 0 HG3 GLU B 25 -9.740 -14.105 -3.483 1.00 0.43 H new ATOM 757 N ARG B 26 -5.136 -13.572 -4.265 1.00 0.40 N ATOM 758 CA ARG B 26 -3.673 -13.443 -4.579 1.00 0.40 C ATOM 759 C ARG B 26 -3.125 -12.114 -4.022 1.00 0.38 C ATOM 760 O ARG B 26 -1.967 -12.005 -3.671 1.00 0.39 O ATOM 761 CB ARG B 26 -3.587 -13.470 -6.111 1.00 0.45 C ATOM 762 CG ARG B 26 -2.133 -13.260 -6.552 1.00 0.41 C ATOM 763 CD ARG B 26 -1.576 -14.577 -7.094 1.00 1.43 C ATOM 764 NE ARG B 26 -0.092 -14.395 -7.101 1.00 2.03 N ATOM 765 CZ ARG B 26 0.665 -15.304 -7.618 1.00 2.53 C ATOM 766 NH1 ARG B 26 0.840 -15.341 -8.895 1.00 2.97 N ATOM 767 NH2 ARG B 26 1.241 -16.169 -6.857 1.00 3.05 N ATOM 0 H ARG B 26 -5.758 -13.529 -5.072 1.00 0.40 H new ATOM 0 HA ARG B 26 -3.082 -14.240 -4.129 1.00 0.40 H new ATOM 0 HB2 ARG B 26 -3.957 -14.423 -6.489 1.00 0.45 H new ATOM 0 HB3 ARG B 26 -4.221 -12.691 -6.534 1.00 0.45 H new ATOM 0 HG2 ARG B 26 -2.081 -12.487 -7.318 1.00 0.41 H new ATOM 0 HG3 ARG B 26 -1.531 -12.916 -5.711 1.00 0.41 H new ATOM 0 HD2 ARG B 26 -1.868 -15.418 -6.465 1.00 1.43 H new ATOM 0 HD3 ARG B 26 -1.953 -14.783 -8.096 1.00 1.43 H new ATOM 0 HE ARG B 26 0.322 -13.554 -6.698 1.00 2.03 H new ATOM 0 HH11 ARG B 26 0.381 -14.654 -9.493 1.00 2.97 H new ATOM 0 HH12 ARG B 26 1.437 -16.058 -9.307 1.00 2.97 H new ATOM 0 HH21 ARG B 26 1.099 -16.135 -5.848 1.00 3.05 H new ATOM 0 HH22 ARG B 26 1.839 -16.888 -7.264 1.00 3.05 H new ATOM 781 N TRP B 27 -3.958 -11.110 -3.941 1.00 0.39 N ATOM 782 CA TRP B 27 -3.516 -9.781 -3.408 1.00 0.39 C ATOM 783 C TRP B 27 -3.040 -9.905 -1.944 1.00 0.38 C ATOM 784 O TRP B 27 -2.110 -9.234 -1.533 1.00 0.43 O ATOM 785 CB TRP B 27 -4.771 -8.910 -3.513 1.00 0.39 C ATOM 786 CG TRP B 27 -4.446 -7.476 -3.246 1.00 0.43 C ATOM 787 CD1 TRP B 27 -3.659 -6.695 -4.023 1.00 0.49 C ATOM 788 CD2 TRP B 27 -4.902 -6.634 -2.149 1.00 0.42 C ATOM 789 NE1 TRP B 27 -3.606 -5.428 -3.470 1.00 0.52 N ATOM 790 CE2 TRP B 27 -4.353 -5.344 -2.313 1.00 0.48 C ATOM 791 CE3 TRP B 27 -5.728 -6.864 -1.033 1.00 0.38 C ATOM 792 CZ2 TRP B 27 -4.618 -4.318 -1.411 1.00 0.51 C ATOM 793 CZ3 TRP B 27 -5.996 -5.831 -0.121 1.00 0.40 C ATOM 794 CH2 TRP B 27 -5.440 -4.560 -0.309 1.00 0.47 C ATOM 0 H TRP B 27 -4.937 -11.152 -4.224 1.00 0.39 H new ATOM 0 HA TRP B 27 -2.671 -9.364 -3.956 1.00 0.39 H new ATOM 0 HB2 TRP B 27 -5.206 -9.010 -4.507 1.00 0.39 H new ATOM 0 HB3 TRP B 27 -5.520 -9.256 -2.801 1.00 0.39 H new ATOM 0 HD1 TRP B 27 -3.156 -7.009 -4.925 1.00 0.49 H new ATOM 0 HE1 TRP B 27 -3.079 -4.651 -3.869 1.00 0.52 H new ATOM 0 HE3 TRP B 27 -6.159 -7.842 -0.877 1.00 0.38 H new ATOM 0 HZ2 TRP B 27 -4.189 -3.338 -1.563 1.00 0.51 H new ATOM 0 HZ3 TRP B 27 -6.634 -6.018 0.730 1.00 0.40 H new ATOM 0 HH2 TRP B 27 -5.646 -3.769 0.397 1.00 0.47 H new ATOM 805 N GLN B 28 -3.664 -10.762 -1.161 1.00 0.47 N ATOM 806 CA GLN B 28 -3.243 -10.935 0.274 1.00 0.50 C ATOM 807 C GLN B 28 -1.727 -11.196 0.365 1.00 0.48 C ATOM 808 O GLN B 28 -1.038 -10.604 1.179 1.00 0.50 O ATOM 809 CB GLN B 28 -4.051 -12.142 0.784 1.00 0.59 C ATOM 810 CG GLN B 28 -3.661 -12.467 2.237 1.00 0.88 C ATOM 811 CD GLN B 28 -4.906 -12.474 3.130 1.00 0.97 C ATOM 812 OE1 GLN B 28 -5.659 -13.428 3.141 1.00 1.77 O ATOM 813 NE2 GLN B 28 -5.157 -11.453 3.892 1.00 0.95 N ATOM 0 H GLN B 28 -4.446 -11.348 -1.453 1.00 0.47 H new ATOM 0 HA GLN B 28 -3.433 -10.044 0.872 1.00 0.50 H new ATOM 0 HB2 GLN B 28 -5.118 -11.926 0.726 1.00 0.59 H new ATOM 0 HB3 GLN B 28 -3.866 -13.008 0.148 1.00 0.59 H new ATOM 0 HG2 GLN B 28 -3.168 -13.438 2.280 1.00 0.88 H new ATOM 0 HG3 GLN B 28 -2.946 -11.730 2.603 1.00 0.88 H new ATOM 0 HE21 GLN B 28 -4.530 -10.648 3.889 1.00 0.95 H new ATOM 0 HE22 GLN B 28 -5.981 -11.456 4.494 1.00 0.95 H new ATOM 822 N ASP B 29 -1.208 -12.060 -0.476 1.00 0.50 N ATOM 823 CA ASP B 29 0.263 -12.352 -0.466 1.00 0.52 C ATOM 824 C ASP B 29 1.059 -11.055 -0.707 1.00 0.44 C ATOM 825 O ASP B 29 1.932 -10.695 0.066 1.00 0.50 O ATOM 826 CB ASP B 29 0.464 -13.337 -1.629 1.00 0.59 C ATOM 827 CG ASP B 29 1.505 -14.395 -1.263 1.00 0.81 C ATOM 828 OD1 ASP B 29 2.517 -14.036 -0.685 1.00 1.56 O ATOM 829 OD2 ASP B 29 1.275 -15.547 -1.584 1.00 1.23 O ATOM 0 H ASP B 29 -1.743 -12.578 -1.173 1.00 0.50 H new ATOM 0 HA ASP B 29 0.607 -12.761 0.484 1.00 0.52 H new ATOM 0 HB2 ASP B 29 -0.483 -13.819 -1.872 1.00 0.59 H new ATOM 0 HB3 ASP B 29 0.784 -12.796 -2.520 1.00 0.59 H new ATOM 834 N MET B 30 0.747 -10.353 -1.772 1.00 0.40 N ATOM 835 CA MET B 30 1.458 -9.071 -2.093 1.00 0.40 C ATOM 836 C MET B 30 1.568 -8.173 -0.849 1.00 0.43 C ATOM 837 O MET B 30 2.639 -7.707 -0.501 1.00 0.47 O ATOM 838 CB MET B 30 0.588 -8.397 -3.161 1.00 0.44 C ATOM 839 CG MET B 30 0.970 -8.916 -4.551 1.00 1.42 C ATOM 840 SD MET B 30 0.463 -7.704 -5.796 1.00 1.41 S ATOM 841 CE MET B 30 -1.163 -8.409 -6.158 1.00 0.45 C ATOM 0 H MET B 30 0.022 -10.616 -2.440 1.00 0.40 H new ATOM 0 HA MET B 30 2.477 -9.249 -2.436 1.00 0.40 H new ATOM 0 HB2 MET B 30 -0.465 -8.599 -2.965 1.00 0.44 H new ATOM 0 HB3 MET B 30 0.718 -7.316 -3.119 1.00 0.44 H new ATOM 0 HG2 MET B 30 2.045 -9.085 -4.607 1.00 1.42 H new ATOM 0 HG3 MET B 30 0.487 -9.874 -4.740 1.00 1.42 H new ATOM 0 HE1 MET B 30 -1.609 -7.882 -7.002 1.00 0.45 H new ATOM 0 HE2 MET B 30 -1.055 -9.465 -6.406 1.00 0.45 H new ATOM 0 HE3 MET B 30 -1.807 -8.306 -5.285 1.00 0.45 H new ATOM 851 N LEU B 31 0.471 -7.928 -0.175 1.00 0.49 N ATOM 852 CA LEU B 31 0.518 -7.062 1.048 1.00 0.61 C ATOM 853 C LEU B 31 1.269 -7.778 2.179 1.00 0.62 C ATOM 854 O LEU B 31 2.039 -7.168 2.899 1.00 0.79 O ATOM 855 CB LEU B 31 -0.944 -6.812 1.427 1.00 0.86 C ATOM 856 CG LEU B 31 -1.373 -5.428 0.938 1.00 0.51 C ATOM 857 CD1 LEU B 31 -1.602 -5.467 -0.568 1.00 1.21 C ATOM 858 CD2 LEU B 31 -2.680 -5.025 1.622 1.00 0.38 C ATOM 0 H LEU B 31 -0.452 -8.288 -0.416 1.00 0.49 H new ATOM 0 HA LEU B 31 1.046 -6.126 0.869 1.00 0.61 H new ATOM 0 HB2 LEU B 31 -1.581 -7.578 0.985 1.00 0.86 H new ATOM 0 HB3 LEU B 31 -1.067 -6.881 2.508 1.00 0.86 H new ATOM 0 HG LEU B 31 -0.591 -4.708 1.177 1.00 0.51 H new ATOM 0 HD11 LEU B 31 -1.908 -4.480 -0.915 1.00 1.21 H new ATOM 0 HD12 LEU B 31 -0.679 -5.758 -1.069 1.00 1.21 H new ATOM 0 HD13 LEU B 31 -2.384 -6.191 -0.799 1.00 1.21 H new ATOM 0 HD21 LEU B 31 -2.984 -4.038 1.272 1.00 0.38 H new ATOM 0 HD22 LEU B 31 -3.456 -5.751 1.380 1.00 0.38 H new ATOM 0 HD23 LEU B 31 -2.532 -4.998 2.702 1.00 0.38 H new ATOM 870 N ALA B 32 1.070 -9.065 2.332 1.00 0.59 N ATOM 871 CA ALA B 32 1.797 -9.812 3.406 1.00 0.62 C ATOM 872 C ALA B 32 3.313 -9.693 3.181 1.00 0.52 C ATOM 873 O ALA B 32 4.045 -9.266 4.055 1.00 0.59 O ATOM 874 CB ALA B 32 1.332 -11.268 3.270 1.00 0.66 C ATOM 0 H ALA B 32 0.439 -9.628 1.762 1.00 0.59 H new ATOM 0 HA ALA B 32 1.590 -9.422 4.403 1.00 0.62 H new ATOM 0 HB1 ALA B 32 1.824 -11.879 4.027 1.00 0.66 H new ATOM 0 HB2 ALA B 32 0.252 -11.319 3.408 1.00 0.66 H new ATOM 0 HB3 ALA B 32 1.589 -11.641 2.279 1.00 0.66 H new ATOM 880 N PHE B 33 3.781 -10.042 2.006 1.00 0.41 N ATOM 881 CA PHE B 33 5.245 -9.928 1.715 1.00 0.38 C ATOM 882 C PHE B 33 5.683 -8.454 1.771 1.00 0.34 C ATOM 883 O PHE B 33 6.718 -8.128 2.323 1.00 0.36 O ATOM 884 CB PHE B 33 5.421 -10.504 0.301 1.00 0.36 C ATOM 885 CG PHE B 33 6.890 -10.744 -0.006 1.00 0.39 C ATOM 886 CD1 PHE B 33 7.859 -10.695 1.010 1.00 0.53 C ATOM 887 CD2 PHE B 33 7.279 -11.019 -1.321 1.00 0.68 C ATOM 888 CE1 PHE B 33 9.207 -10.919 0.707 1.00 0.53 C ATOM 889 CE2 PHE B 33 8.629 -11.243 -1.623 1.00 0.74 C ATOM 890 CZ PHE B 33 9.592 -11.193 -0.610 1.00 0.49 C ATOM 0 H PHE B 33 3.214 -10.400 1.238 1.00 0.41 H new ATOM 0 HA PHE B 33 5.856 -10.463 2.442 1.00 0.38 H new ATOM 0 HB2 PHE B 33 4.869 -11.440 0.214 1.00 0.36 H new ATOM 0 HB3 PHE B 33 5.000 -9.816 -0.432 1.00 0.36 H new ATOM 0 HD1 PHE B 33 7.563 -10.484 2.027 1.00 0.53 H new ATOM 0 HD2 PHE B 33 6.538 -11.059 -2.105 1.00 0.68 H new ATOM 0 HE1 PHE B 33 9.950 -10.880 1.490 1.00 0.53 H new ATOM 0 HE2 PHE B 33 8.926 -11.455 -2.640 1.00 0.74 H new ATOM 0 HZ PHE B 33 10.632 -11.366 -0.844 1.00 0.49 H new ATOM 900 N ALA B 34 4.897 -7.559 1.217 1.00 0.33 N ATOM 901 CA ALA B 34 5.267 -6.107 1.255 1.00 0.32 C ATOM 902 C ALA B 34 5.378 -5.621 2.710 1.00 0.37 C ATOM 903 O ALA B 34 6.349 -4.998 3.090 1.00 0.36 O ATOM 904 CB ALA B 34 4.128 -5.382 0.529 1.00 0.34 C ATOM 0 H ALA B 34 4.019 -7.770 0.742 1.00 0.33 H new ATOM 0 HA ALA B 34 6.232 -5.918 0.785 1.00 0.32 H new ATOM 0 HB1 ALA B 34 4.328 -4.311 0.516 1.00 0.34 H new ATOM 0 HB2 ALA B 34 4.056 -5.750 -0.494 1.00 0.34 H new ATOM 0 HB3 ALA B 34 3.188 -5.569 1.048 1.00 0.34 H new ATOM 910 N ALA B 35 4.394 -5.909 3.527 1.00 0.45 N ATOM 911 CA ALA B 35 4.443 -5.469 4.960 1.00 0.53 C ATOM 912 C ALA B 35 5.611 -6.135 5.699 1.00 0.57 C ATOM 913 O ALA B 35 6.166 -5.579 6.634 1.00 0.69 O ATOM 914 CB ALA B 35 3.116 -5.925 5.560 1.00 0.62 C ATOM 0 H ALA B 35 3.557 -6.430 3.265 1.00 0.45 H new ATOM 0 HA ALA B 35 4.591 -4.392 5.045 1.00 0.53 H new ATOM 0 HB1 ALA B 35 3.075 -5.639 6.611 1.00 0.62 H new ATOM 0 HB2 ALA B 35 2.293 -5.454 5.023 1.00 0.62 H new ATOM 0 HB3 ALA B 35 3.031 -7.008 5.475 1.00 0.62 H new ATOM 920 N GLU B 36 5.980 -7.322 5.297 1.00 0.51 N ATOM 921 CA GLU B 36 7.104 -8.030 5.976 1.00 0.56 C ATOM 922 C GLU B 36 8.449 -7.379 5.636 1.00 0.51 C ATOM 923 O GLU B 36 9.306 -7.237 6.488 1.00 0.51 O ATOM 924 CB GLU B 36 7.058 -9.459 5.441 1.00 0.59 C ATOM 925 CG GLU B 36 7.935 -10.347 6.327 1.00 0.64 C ATOM 926 CD GLU B 36 7.102 -11.482 6.911 1.00 1.05 C ATOM 927 OE1 GLU B 36 6.548 -11.286 7.982 1.00 1.59 O ATOM 928 OE2 GLU B 36 7.035 -12.522 6.284 1.00 1.75 O ATOM 0 H GLU B 36 5.550 -7.833 4.526 1.00 0.51 H new ATOM 0 HA GLU B 36 7.005 -7.991 7.061 1.00 0.56 H new ATOM 0 HB2 GLU B 36 6.032 -9.827 5.436 1.00 0.59 H new ATOM 0 HB3 GLU B 36 7.412 -9.488 4.410 1.00 0.59 H new ATOM 0 HG2 GLU B 36 8.762 -10.754 5.744 1.00 0.64 H new ATOM 0 HG3 GLU B 36 8.373 -9.755 7.131 1.00 0.64 H new ATOM 935 N VAL B 37 8.648 -6.984 4.405 1.00 0.47 N ATOM 936 CA VAL B 37 9.952 -6.350 4.034 1.00 0.43 C ATOM 937 C VAL B 37 10.067 -4.932 4.631 1.00 0.40 C ATOM 938 O VAL B 37 11.135 -4.511 5.030 1.00 0.42 O ATOM 939 CB VAL B 37 9.978 -6.320 2.497 1.00 0.39 C ATOM 940 CG1 VAL B 37 9.302 -5.053 1.977 1.00 0.40 C ATOM 941 CG2 VAL B 37 11.429 -6.332 2.016 1.00 0.34 C ATOM 0 H VAL B 37 7.972 -7.071 3.646 1.00 0.47 H new ATOM 0 HA VAL B 37 10.799 -6.910 4.430 1.00 0.43 H new ATOM 0 HB VAL B 37 9.445 -7.194 2.122 1.00 0.39 H new ATOM 0 HG11 VAL B 37 9.329 -5.047 0.887 1.00 0.40 H new ATOM 0 HG12 VAL B 37 8.266 -5.029 2.315 1.00 0.40 H new ATOM 0 HG13 VAL B 37 9.828 -4.178 2.358 1.00 0.40 H new ATOM 0 HG21 VAL B 37 11.451 -6.311 0.926 1.00 0.34 H new ATOM 0 HG22 VAL B 37 11.949 -5.457 2.407 1.00 0.34 H new ATOM 0 HG23 VAL B 37 11.923 -7.236 2.371 1.00 0.34 H new ATOM 951 N THR B 38 8.984 -4.191 4.696 1.00 0.38 N ATOM 952 CA THR B 38 9.049 -2.796 5.273 1.00 0.37 C ATOM 953 C THR B 38 9.482 -2.827 6.747 1.00 0.37 C ATOM 954 O THR B 38 10.144 -1.923 7.221 1.00 0.45 O ATOM 955 CB THR B 38 7.632 -2.218 5.170 1.00 0.40 C ATOM 956 OG1 THR B 38 6.674 -3.263 5.241 1.00 0.40 O ATOM 957 CG2 THR B 38 7.467 -1.479 3.846 1.00 0.48 C ATOM 0 H THR B 38 8.060 -4.485 4.378 1.00 0.38 H new ATOM 0 HA THR B 38 9.778 -2.194 4.730 1.00 0.37 H new ATOM 0 HB THR B 38 7.477 -1.525 5.997 1.00 0.40 H new ATOM 0 HG1 THR B 38 6.896 -3.860 5.986 1.00 0.40 H new ATOM 0 HG21 THR B 38 6.458 -1.071 3.780 1.00 0.48 H new ATOM 0 HG22 THR B 38 8.191 -0.666 3.790 1.00 0.48 H new ATOM 0 HG23 THR B 38 7.634 -2.171 3.020 1.00 0.48 H new ATOM 965 N LYS B 39 9.126 -3.869 7.467 1.00 0.41 N ATOM 966 CA LYS B 39 9.532 -3.980 8.908 1.00 0.44 C ATOM 967 C LYS B 39 10.832 -4.806 9.007 1.00 0.45 C ATOM 968 O LYS B 39 11.029 -5.579 9.923 1.00 0.73 O ATOM 969 CB LYS B 39 8.342 -4.672 9.632 1.00 0.52 C ATOM 970 CG LYS B 39 8.168 -6.129 9.136 1.00 1.25 C ATOM 971 CD LYS B 39 7.442 -7.002 10.192 1.00 1.56 C ATOM 972 CE LYS B 39 6.141 -7.592 9.607 1.00 1.73 C ATOM 973 NZ LYS B 39 6.400 -9.061 9.490 1.00 2.26 N ATOM 0 H LYS B 39 8.570 -4.649 7.117 1.00 0.41 H new ATOM 0 HA LYS B 39 9.738 -3.013 9.367 1.00 0.44 H new ATOM 0 HB2 LYS B 39 8.513 -4.668 10.708 1.00 0.52 H new ATOM 0 HB3 LYS B 39 7.425 -4.110 9.453 1.00 0.52 H new ATOM 0 HG2 LYS B 39 7.600 -6.133 8.206 1.00 1.25 H new ATOM 0 HG3 LYS B 39 9.145 -6.559 8.915 1.00 1.25 H new ATOM 0 HD2 LYS B 39 8.099 -7.808 10.519 1.00 1.56 H new ATOM 0 HD3 LYS B 39 7.212 -6.402 11.072 1.00 1.56 H new ATOM 0 HE2 LYS B 39 5.290 -7.392 10.258 1.00 1.73 H new ATOM 0 HE3 LYS B 39 5.910 -7.153 8.636 1.00 1.73 H new ATOM 0 HZ1 LYS B 39 5.964 -9.422 8.617 1.00 2.26 H new ATOM 0 HZ2 LYS B 39 7.426 -9.231 9.461 1.00 2.26 H new ATOM 0 HZ3 LYS B 39 5.991 -9.552 10.310 1.00 2.26 H new ATOM 987 N ASN B 40 11.720 -4.628 8.055 1.00 0.46 N ATOM 988 CA ASN B 40 13.018 -5.372 8.056 1.00 0.45 C ATOM 989 C ASN B 40 14.166 -4.371 8.251 1.00 0.52 C ATOM 990 O ASN B 40 14.373 -3.497 7.432 1.00 1.07 O ATOM 991 CB ASN B 40 13.082 -6.042 6.670 1.00 0.45 C ATOM 992 CG ASN B 40 14.386 -6.830 6.502 1.00 0.78 C ATOM 993 OD1 ASN B 40 15.406 -6.482 7.054 1.00 1.47 O ATOM 994 ND2 ASN B 40 14.400 -7.883 5.742 1.00 1.24 N ATOM 0 H ASN B 40 11.597 -3.990 7.269 1.00 0.46 H new ATOM 0 HA ASN B 40 13.099 -6.110 8.854 1.00 0.45 H new ATOM 0 HB2 ASN B 40 12.230 -6.710 6.545 1.00 0.45 H new ATOM 0 HB3 ASN B 40 13.008 -5.283 5.891 1.00 0.45 H new ATOM 0 HD21 ASN B 40 15.265 -8.409 5.615 1.00 1.24 H new ATOM 0 HD22 ASN B 40 13.546 -8.185 5.273 1.00 1.24 H new ATOM 1001 N GLU B 41 14.885 -4.490 9.342 1.00 0.41 N ATOM 1002 CA GLU B 41 16.022 -3.549 9.650 1.00 0.41 C ATOM 1003 C GLU B 41 16.692 -2.992 8.377 1.00 0.48 C ATOM 1004 O GLU B 41 16.661 -1.804 8.118 1.00 0.58 O ATOM 1005 CB GLU B 41 17.018 -4.399 10.452 1.00 0.43 C ATOM 1006 CG GLU B 41 17.265 -3.741 11.814 1.00 0.93 C ATOM 1007 CD GLU B 41 16.209 -4.204 12.817 1.00 1.44 C ATOM 1008 OE1 GLU B 41 15.170 -3.571 12.883 1.00 1.97 O ATOM 1009 OE2 GLU B 41 16.460 -5.180 13.501 1.00 2.11 O ATOM 0 H GLU B 41 14.733 -5.211 10.047 1.00 0.41 H new ATOM 0 HA GLU B 41 15.669 -2.673 10.194 1.00 0.41 H new ATOM 0 HB2 GLU B 41 16.626 -5.407 10.588 1.00 0.43 H new ATOM 0 HB3 GLU B 41 17.956 -4.493 9.905 1.00 0.43 H new ATOM 0 HG2 GLU B 41 18.260 -3.998 12.176 1.00 0.93 H new ATOM 0 HG3 GLU B 41 17.233 -2.656 11.714 1.00 0.93 H new ATOM 1016 N GLN B 42 17.300 -3.843 7.591 1.00 0.52 N ATOM 1017 CA GLN B 42 17.990 -3.375 6.340 1.00 0.63 C ATOM 1018 C GLN B 42 17.025 -2.654 5.382 1.00 0.58 C ATOM 1019 O GLN B 42 17.341 -1.607 4.847 1.00 0.71 O ATOM 1020 CB GLN B 42 18.543 -4.650 5.696 1.00 0.70 C ATOM 1021 CG GLN B 42 20.041 -4.752 6.002 1.00 1.19 C ATOM 1022 CD GLN B 42 20.652 -5.936 5.253 1.00 1.85 C ATOM 1023 OE1 GLN B 42 20.599 -5.998 4.047 1.00 2.32 O ATOM 1024 NE2 GLN B 42 21.239 -6.882 5.920 1.00 2.57 N ATOM 0 H GLN B 42 17.351 -4.848 7.759 1.00 0.52 H new ATOM 0 HA GLN B 42 18.770 -2.648 6.567 1.00 0.63 H new ATOM 0 HB2 GLN B 42 18.019 -5.525 6.082 1.00 0.70 H new ATOM 0 HB3 GLN B 42 18.379 -4.630 4.619 1.00 0.70 H new ATOM 0 HG2 GLN B 42 20.543 -3.829 5.711 1.00 1.19 H new ATOM 0 HG3 GLN B 42 20.193 -4.873 7.075 1.00 1.19 H new ATOM 0 HE21 GLN B 42 21.287 -6.835 6.938 1.00 2.57 H new ATOM 0 HE22 GLN B 42 21.653 -7.673 5.426 1.00 2.57 H new ATOM 1033 N MET B 43 15.857 -3.194 5.159 1.00 0.51 N ATOM 1034 CA MET B 43 14.886 -2.524 4.235 1.00 0.47 C ATOM 1035 C MET B 43 14.361 -1.218 4.862 1.00 0.52 C ATOM 1036 O MET B 43 14.125 -0.241 4.173 1.00 0.55 O ATOM 1037 CB MET B 43 13.755 -3.538 4.045 1.00 0.41 C ATOM 1038 CG MET B 43 12.968 -3.203 2.774 1.00 0.29 C ATOM 1039 SD MET B 43 13.844 -3.855 1.331 1.00 0.44 S ATOM 1040 CE MET B 43 13.157 -2.707 0.111 1.00 0.42 C ATOM 0 H MET B 43 15.531 -4.067 5.573 1.00 0.51 H new ATOM 0 HA MET B 43 15.342 -2.247 3.284 1.00 0.47 H new ATOM 0 HB2 MET B 43 14.165 -4.546 3.975 1.00 0.41 H new ATOM 0 HB3 MET B 43 13.091 -3.523 4.910 1.00 0.41 H new ATOM 0 HG2 MET B 43 11.967 -3.632 2.830 1.00 0.29 H new ATOM 0 HG3 MET B 43 12.847 -2.124 2.682 1.00 0.29 H new ATOM 0 HE1 MET B 43 13.485 -2.997 -0.887 1.00 0.42 H new ATOM 0 HE2 MET B 43 12.068 -2.735 0.157 1.00 0.42 H new ATOM 0 HE3 MET B 43 13.503 -1.696 0.327 1.00 0.42 H new ATOM 1050 N ALA B 44 14.184 -1.195 6.162 1.00 0.60 N ATOM 1051 CA ALA B 44 13.683 0.044 6.842 1.00 0.71 C ATOM 1052 C ALA B 44 14.620 1.233 6.559 1.00 0.81 C ATOM 1053 O ALA B 44 14.184 2.283 6.118 1.00 1.05 O ATOM 1054 CB ALA B 44 13.672 -0.306 8.335 1.00 0.92 C ATOM 0 H ALA B 44 14.365 -1.983 6.784 1.00 0.60 H new ATOM 0 HA ALA B 44 12.696 0.342 6.487 1.00 0.71 H new ATOM 0 HB1 ALA B 44 13.316 0.551 8.907 1.00 0.92 H new ATOM 0 HB2 ALA B 44 13.010 -1.155 8.505 1.00 0.92 H new ATOM 0 HB3 ALA B 44 14.682 -0.563 8.656 1.00 0.92 H new ATOM 1060 N GLU B 45 15.901 1.071 6.797 1.00 0.75 N ATOM 1061 CA GLU B 45 16.869 2.188 6.528 1.00 0.92 C ATOM 1062 C GLU B 45 16.869 2.531 5.030 1.00 0.82 C ATOM 1063 O GLU B 45 16.824 3.686 4.647 1.00 0.94 O ATOM 1064 CB GLU B 45 18.238 1.647 6.955 1.00 1.10 C ATOM 1065 CG GLU B 45 18.283 1.482 8.479 1.00 1.61 C ATOM 1066 CD GLU B 45 19.736 1.423 8.946 1.00 2.22 C ATOM 1067 OE1 GLU B 45 20.406 0.462 8.610 1.00 2.61 O ATOM 1068 OE2 GLU B 45 20.153 2.341 9.632 1.00 2.74 O ATOM 0 H GLU B 45 16.319 0.216 7.165 1.00 0.75 H new ATOM 0 HA GLU B 45 16.609 3.099 7.067 1.00 0.92 H new ATOM 0 HB2 GLU B 45 18.427 0.689 6.471 1.00 1.10 H new ATOM 0 HB3 GLU B 45 19.025 2.328 6.631 1.00 1.10 H new ATOM 0 HG2 GLU B 45 17.769 2.314 8.960 1.00 1.61 H new ATOM 0 HG3 GLU B 45 17.759 0.572 8.772 1.00 1.61 H new ATOM 1075 N LEU B 46 16.902 1.528 4.184 1.00 0.69 N ATOM 1076 CA LEU B 46 16.886 1.775 2.703 1.00 0.76 C ATOM 1077 C LEU B 46 15.670 2.633 2.320 1.00 0.56 C ATOM 1078 O LEU B 46 15.752 3.502 1.470 1.00 0.57 O ATOM 1079 CB LEU B 46 16.773 0.382 2.071 1.00 0.86 C ATOM 1080 CG LEU B 46 17.828 0.215 0.976 1.00 1.18 C ATOM 1081 CD1 LEU B 46 17.780 -1.218 0.456 1.00 1.65 C ATOM 1082 CD2 LEU B 46 17.536 1.175 -0.181 1.00 1.72 C ATOM 0 H LEU B 46 16.939 0.545 4.455 1.00 0.69 H new ATOM 0 HA LEU B 46 17.774 2.310 2.365 1.00 0.76 H new ATOM 0 HB2 LEU B 46 16.906 -0.384 2.835 1.00 0.86 H new ATOM 0 HB3 LEU B 46 15.777 0.244 1.651 1.00 0.86 H new ATOM 0 HG LEU B 46 18.813 0.435 1.387 1.00 1.18 H new ATOM 0 HD11 LEU B 46 18.529 -1.347 -0.325 1.00 1.65 H new ATOM 0 HD12 LEU B 46 17.986 -1.909 1.274 1.00 1.65 H new ATOM 0 HD13 LEU B 46 16.791 -1.424 0.048 1.00 1.65 H new ATOM 0 HD21 LEU B 46 18.291 1.050 -0.957 1.00 1.72 H new ATOM 0 HD22 LEU B 46 16.551 0.957 -0.595 1.00 1.72 H new ATOM 0 HD23 LEU B 46 17.557 2.202 0.184 1.00 1.72 H new ATOM 1094 N LEU B 47 14.545 2.392 2.947 1.00 0.49 N ATOM 1095 CA LEU B 47 13.319 3.188 2.635 1.00 0.37 C ATOM 1096 C LEU B 47 13.436 4.613 3.203 1.00 0.49 C ATOM 1097 O LEU B 47 13.194 5.585 2.514 1.00 0.57 O ATOM 1098 CB LEU B 47 12.172 2.425 3.311 1.00 0.35 C ATOM 1099 CG LEU B 47 11.369 1.673 2.250 1.00 0.39 C ATOM 1100 CD1 LEU B 47 11.190 0.217 2.677 1.00 0.75 C ATOM 1101 CD2 LEU B 47 9.996 2.323 2.095 1.00 0.57 C ATOM 0 H LEU B 47 14.423 1.676 3.663 1.00 0.49 H new ATOM 0 HA LEU B 47 13.162 3.297 1.562 1.00 0.37 H new ATOM 0 HB2 LEU B 47 12.569 1.725 4.046 1.00 0.35 H new ATOM 0 HB3 LEU B 47 11.526 3.119 3.848 1.00 0.35 H new ATOM 0 HG LEU B 47 11.903 1.711 1.301 1.00 0.39 H new ATOM 0 HD11 LEU B 47 10.617 -0.317 1.919 1.00 0.75 H new ATOM 0 HD12 LEU B 47 12.168 -0.252 2.790 1.00 0.75 H new ATOM 0 HD13 LEU B 47 10.657 0.179 3.627 1.00 0.75 H new ATOM 0 HD21 LEU B 47 9.423 1.787 1.338 1.00 0.57 H new ATOM 0 HD22 LEU B 47 9.466 2.285 3.047 1.00 0.57 H new ATOM 0 HD23 LEU B 47 10.118 3.362 1.789 1.00 0.57 H new ATOM 1113 N SER B 48 13.808 4.746 4.451 1.00 0.64 N ATOM 1114 CA SER B 48 13.940 6.114 5.060 1.00 0.87 C ATOM 1115 C SER B 48 15.362 6.663 4.855 1.00 1.01 C ATOM 1116 O SER B 48 16.106 6.850 5.799 1.00 1.80 O ATOM 1117 CB SER B 48 13.645 5.919 6.553 1.00 1.15 C ATOM 1118 OG SER B 48 12.312 6.347 6.831 1.00 2.00 O ATOM 0 H SER B 48 14.027 3.971 5.077 1.00 0.64 H new ATOM 0 HA SER B 48 13.260 6.832 4.601 1.00 0.87 H new ATOM 0 HB2 SER B 48 13.767 4.871 6.825 1.00 1.15 H new ATOM 0 HB3 SER B 48 14.355 6.489 7.153 1.00 1.15 H new ATOM 0 HG SER B 48 12.120 6.222 7.784 1.00 2.00 H new ATOM 1124 N GLY B 49 15.748 6.915 3.627 1.00 1.04 N ATOM 1125 CA GLY B 49 17.130 7.441 3.361 1.00 1.43 C ATOM 1126 C GLY B 49 17.096 8.914 2.931 1.00 1.25 C ATOM 1127 O GLY B 49 17.942 9.694 3.322 1.00 1.35 O ATOM 0 H GLY B 49 15.170 6.781 2.798 1.00 1.04 H new ATOM 0 HA2 GLY B 49 17.740 7.337 4.259 1.00 1.43 H new ATOM 0 HA3 GLY B 49 17.604 6.844 2.582 1.00 1.43 H new ATOM 1131 N ALA B 50 16.150 9.307 2.116 1.00 1.10 N ATOM 1132 CA ALA B 50 16.103 10.733 1.659 1.00 1.10 C ATOM 1133 C ALA B 50 14.663 11.205 1.398 1.00 1.01 C ATOM 1134 O ALA B 50 13.713 10.454 1.520 1.00 1.55 O ATOM 1135 CB ALA B 50 16.903 10.731 0.352 1.00 1.32 C ATOM 0 H ALA B 50 15.411 8.708 1.748 1.00 1.10 H new ATOM 0 HA ALA B 50 16.505 11.411 2.412 1.00 1.10 H new ATOM 0 HB1 ALA B 50 16.926 11.739 -0.062 1.00 1.32 H new ATOM 0 HB2 ALA B 50 17.922 10.397 0.549 1.00 1.32 H new ATOM 0 HB3 ALA B 50 16.432 10.056 -0.362 1.00 1.32 H new ATOM 1141 N LEU B 51 14.509 12.450 1.015 1.00 1.39 N ATOM 1142 CA LEU B 51 13.147 13.003 0.708 1.00 1.37 C ATOM 1143 C LEU B 51 12.650 12.480 -0.654 1.00 1.30 C ATOM 1144 O LEU B 51 11.477 12.556 -0.967 1.00 2.13 O ATOM 1145 CB LEU B 51 13.344 14.528 0.646 1.00 1.51 C ATOM 1146 CG LEU B 51 12.984 15.173 1.987 1.00 1.72 C ATOM 1147 CD1 LEU B 51 11.496 14.975 2.271 1.00 2.09 C ATOM 1148 CD2 LEU B 51 13.810 14.536 3.105 1.00 2.03 C ATOM 0 H LEU B 51 15.274 13.114 0.900 1.00 1.39 H new ATOM 0 HA LEU B 51 12.408 12.709 1.454 1.00 1.37 H new ATOM 0 HB2 LEU B 51 14.379 14.756 0.393 1.00 1.51 H new ATOM 0 HB3 LEU B 51 12.722 14.949 -0.144 1.00 1.51 H new ATOM 0 HG LEU B 51 13.203 16.240 1.942 1.00 1.72 H new ATOM 0 HD11 LEU B 51 11.243 15.435 3.226 1.00 2.09 H new ATOM 0 HD12 LEU B 51 10.909 15.439 1.478 1.00 2.09 H new ATOM 0 HD13 LEU B 51 11.272 13.909 2.312 1.00 2.09 H new ATOM 0 HD21 LEU B 51 13.551 14.998 4.058 1.00 2.03 H new ATOM 0 HD22 LEU B 51 13.598 13.468 3.150 1.00 2.03 H new ATOM 0 HD23 LEU B 51 14.871 14.688 2.905 1.00 2.03 H new ATOM 1160 N ALA B 52 13.539 11.959 -1.467 1.00 0.81 N ATOM 1161 CA ALA B 52 13.133 11.438 -2.808 1.00 0.66 C ATOM 1162 C ALA B 52 12.481 10.048 -2.680 1.00 0.51 C ATOM 1163 O ALA B 52 13.114 9.097 -2.248 1.00 0.52 O ATOM 1164 CB ALA B 52 14.437 11.363 -3.607 1.00 0.75 C ATOM 0 H ALA B 52 14.533 11.873 -1.256 1.00 0.81 H new ATOM 0 HA ALA B 52 12.393 12.075 -3.292 1.00 0.66 H new ATOM 0 HB1 ALA B 52 14.229 10.988 -4.609 1.00 0.75 H new ATOM 0 HB2 ALA B 52 14.879 12.357 -3.676 1.00 0.75 H new ATOM 0 HB3 ALA B 52 15.133 10.690 -3.105 1.00 0.75 H new ATOM 1170 N PRO B 53 11.227 9.982 -3.063 1.00 0.46 N ATOM 1171 CA PRO B 53 10.463 8.703 -2.992 1.00 0.39 C ATOM 1172 C PRO B 53 10.964 7.674 -4.024 1.00 0.42 C ATOM 1173 O PRO B 53 10.773 6.486 -3.855 1.00 0.45 O ATOM 1174 CB PRO B 53 9.028 9.132 -3.301 1.00 0.48 C ATOM 1175 CG PRO B 53 9.162 10.399 -4.084 1.00 0.56 C ATOM 1176 CD PRO B 53 10.408 11.082 -3.594 1.00 0.57 C ATOM 0 HA PRO B 53 10.569 8.209 -2.026 1.00 0.39 H new ATOM 0 HB2 PRO B 53 8.502 8.368 -3.874 1.00 0.48 H new ATOM 0 HB3 PRO B 53 8.458 9.292 -2.386 1.00 0.48 H new ATOM 0 HG2 PRO B 53 9.231 10.189 -5.151 1.00 0.56 H new ATOM 0 HG3 PRO B 53 8.290 11.036 -3.940 1.00 0.56 H new ATOM 0 HD2 PRO B 53 10.919 11.608 -4.400 1.00 0.57 H new ATOM 0 HD3 PRO B 53 10.183 11.820 -2.824 1.00 0.57 H new ATOM 1184 N GLU B 54 11.591 8.108 -5.089 1.00 0.49 N ATOM 1185 CA GLU B 54 12.084 7.137 -6.124 1.00 0.57 C ATOM 1186 C GLU B 54 13.077 6.117 -5.521 1.00 0.52 C ATOM 1187 O GLU B 54 12.959 4.927 -5.747 1.00 0.55 O ATOM 1188 CB GLU B 54 12.748 8.007 -7.209 1.00 0.71 C ATOM 1189 CG GLU B 54 13.925 8.806 -6.623 1.00 1.28 C ATOM 1190 CD GLU B 54 13.884 10.247 -7.121 1.00 1.86 C ATOM 1191 OE1 GLU B 54 13.069 10.999 -6.611 1.00 2.64 O ATOM 1192 OE2 GLU B 54 14.670 10.575 -7.991 1.00 2.28 O ATOM 0 H GLU B 54 11.784 9.089 -5.289 1.00 0.49 H new ATOM 0 HA GLU B 54 11.272 6.536 -6.533 1.00 0.57 H new ATOM 0 HB2 GLU B 54 13.101 7.374 -8.023 1.00 0.71 H new ATOM 0 HB3 GLU B 54 12.013 8.691 -7.633 1.00 0.71 H new ATOM 0 HG2 GLU B 54 13.879 8.789 -5.534 1.00 1.28 H new ATOM 0 HG3 GLU B 54 14.868 8.341 -6.910 1.00 1.28 H new ATOM 1199 N THR B 55 14.037 6.569 -4.750 1.00 0.48 N ATOM 1200 CA THR B 55 15.044 5.641 -4.127 1.00 0.48 C ATOM 1201 C THR B 55 14.362 4.493 -3.371 1.00 0.39 C ATOM 1202 O THR B 55 14.807 3.362 -3.415 1.00 0.42 O ATOM 1203 CB THR B 55 15.856 6.508 -3.146 1.00 0.53 C ATOM 1204 OG1 THR B 55 15.542 7.886 -3.325 1.00 1.32 O ATOM 1205 CG2 THR B 55 17.346 6.308 -3.405 1.00 0.88 C ATOM 0 H THR B 55 14.170 7.554 -4.521 1.00 0.48 H new ATOM 0 HA THR B 55 15.670 5.180 -4.891 1.00 0.48 H new ATOM 0 HB THR B 55 15.606 6.209 -2.128 1.00 0.53 H new ATOM 0 HG1 THR B 55 14.729 8.104 -2.823 1.00 1.32 H new ATOM 0 HG21 THR B 55 17.921 6.921 -2.711 1.00 0.88 H new ATOM 0 HG22 THR B 55 17.603 5.259 -3.261 1.00 0.88 H new ATOM 0 HG23 THR B 55 17.580 6.601 -4.428 1.00 0.88 H new ATOM 1213 N LEU B 56 13.296 4.772 -2.669 1.00 0.32 N ATOM 1214 CA LEU B 56 12.594 3.690 -1.902 1.00 0.29 C ATOM 1215 C LEU B 56 11.387 3.124 -2.683 1.00 0.28 C ATOM 1216 O LEU B 56 10.948 2.019 -2.426 1.00 0.30 O ATOM 1217 CB LEU B 56 12.143 4.349 -0.586 1.00 0.30 C ATOM 1218 CG LEU B 56 11.219 5.543 -0.865 1.00 0.27 C ATOM 1219 CD1 LEU B 56 9.780 5.162 -0.542 1.00 0.39 C ATOM 1220 CD2 LEU B 56 11.632 6.721 0.016 1.00 0.33 C ATOM 0 H LEU B 56 12.878 5.699 -2.591 1.00 0.32 H new ATOM 0 HA LEU B 56 13.253 2.840 -1.726 1.00 0.29 H new ATOM 0 HB2 LEU B 56 11.623 3.618 0.033 1.00 0.30 H new ATOM 0 HB3 LEU B 56 13.015 4.682 -0.023 1.00 0.30 H new ATOM 0 HG LEU B 56 11.298 5.821 -1.916 1.00 0.27 H new ATOM 0 HD11 LEU B 56 9.126 6.011 -0.741 1.00 0.39 H new ATOM 0 HD12 LEU B 56 9.479 4.318 -1.163 1.00 0.39 H new ATOM 0 HD13 LEU B 56 9.704 4.884 0.509 1.00 0.39 H new ATOM 0 HD21 LEU B 56 10.977 7.570 -0.181 1.00 0.33 H new ATOM 0 HD22 LEU B 56 11.552 6.436 1.065 1.00 0.33 H new ATOM 0 HD23 LEU B 56 12.662 6.998 -0.207 1.00 0.33 H new ATOM 1232 N ALA B 57 10.846 3.864 -3.622 1.00 0.31 N ATOM 1233 CA ALA B 57 9.662 3.363 -4.401 1.00 0.36 C ATOM 1234 C ALA B 57 10.026 2.139 -5.264 1.00 0.40 C ATOM 1235 O ALA B 57 9.516 1.053 -5.054 1.00 0.43 O ATOM 1236 CB ALA B 57 9.237 4.547 -5.278 1.00 0.41 C ATOM 0 H ALA B 57 11.172 4.794 -3.885 1.00 0.31 H new ATOM 0 HA ALA B 57 8.860 3.029 -3.742 1.00 0.36 H new ATOM 0 HB1 ALA B 57 8.375 4.262 -5.881 1.00 0.41 H new ATOM 0 HB2 ALA B 57 8.973 5.393 -4.644 1.00 0.41 H new ATOM 0 HB3 ALA B 57 10.061 4.828 -5.934 1.00 0.41 H new ATOM 1242 N GLU B 58 10.893 2.297 -6.232 1.00 0.44 N ATOM 1243 CA GLU B 58 11.265 1.120 -7.096 1.00 0.50 C ATOM 1244 C GLU B 58 12.087 0.094 -6.293 1.00 0.46 C ATOM 1245 O GLU B 58 11.959 -1.100 -6.494 1.00 0.47 O ATOM 1246 CB GLU B 58 12.054 1.651 -8.318 1.00 0.58 C ATOM 1247 CG GLU B 58 12.956 2.847 -7.961 1.00 1.55 C ATOM 1248 CD GLU B 58 13.657 3.353 -9.222 1.00 2.03 C ATOM 1249 OE1 GLU B 58 12.960 3.796 -10.124 1.00 2.38 O ATOM 1250 OE2 GLU B 58 14.872 3.288 -9.263 1.00 2.53 O ATOM 0 H GLU B 58 11.357 3.175 -6.465 1.00 0.44 H new ATOM 0 HA GLU B 58 10.368 0.604 -7.440 1.00 0.50 H new ATOM 0 HB2 GLU B 58 12.666 0.848 -8.729 1.00 0.58 H new ATOM 0 HB3 GLU B 58 11.353 1.948 -9.098 1.00 0.58 H new ATOM 0 HG2 GLU B 58 12.361 3.645 -7.518 1.00 1.55 H new ATOM 0 HG3 GLU B 58 13.694 2.549 -7.216 1.00 1.55 H new ATOM 1257 N SER B 59 12.904 0.535 -5.367 1.00 0.44 N ATOM 1258 CA SER B 59 13.699 -0.438 -4.538 1.00 0.43 C ATOM 1259 C SER B 59 12.754 -1.434 -3.837 1.00 0.34 C ATOM 1260 O SER B 59 13.004 -2.626 -3.803 1.00 0.34 O ATOM 1261 CB SER B 59 14.440 0.418 -3.502 1.00 0.46 C ATOM 1262 OG SER B 59 14.727 -0.370 -2.349 1.00 0.92 O ATOM 0 H SER B 59 13.057 1.519 -5.147 1.00 0.44 H new ATOM 0 HA SER B 59 14.389 -1.023 -5.145 1.00 0.43 H new ATOM 0 HB2 SER B 59 15.365 0.805 -3.930 1.00 0.46 H new ATOM 0 HB3 SER B 59 13.832 1.279 -3.225 1.00 0.46 H new ATOM 0 HG SER B 59 14.743 0.205 -1.556 1.00 0.92 H new ATOM 1268 N PHE B 60 11.669 -0.946 -3.282 1.00 0.28 N ATOM 1269 CA PHE B 60 10.695 -1.843 -2.576 1.00 0.23 C ATOM 1270 C PHE B 60 10.066 -2.874 -3.535 1.00 0.27 C ATOM 1271 O PHE B 60 10.171 -4.067 -3.324 1.00 0.26 O ATOM 1272 CB PHE B 60 9.623 -0.899 -2.022 1.00 0.21 C ATOM 1273 CG PHE B 60 8.620 -1.694 -1.224 1.00 0.22 C ATOM 1274 CD1 PHE B 60 7.525 -2.283 -1.866 1.00 0.44 C ATOM 1275 CD2 PHE B 60 8.787 -1.849 0.155 1.00 0.51 C ATOM 1276 CE1 PHE B 60 6.597 -3.025 -1.128 1.00 0.48 C ATOM 1277 CE2 PHE B 60 7.859 -2.591 0.892 1.00 0.50 C ATOM 1278 CZ PHE B 60 6.765 -3.179 0.251 1.00 0.30 C ATOM 0 H PHE B 60 11.414 0.042 -3.287 1.00 0.28 H new ATOM 0 HA PHE B 60 11.185 -2.425 -1.796 1.00 0.23 H new ATOM 0 HB2 PHE B 60 10.083 -0.137 -1.393 1.00 0.21 H new ATOM 0 HB3 PHE B 60 9.124 -0.378 -2.839 1.00 0.21 H new ATOM 0 HD1 PHE B 60 7.396 -2.165 -2.932 1.00 0.44 H new ATOM 0 HD2 PHE B 60 9.633 -1.396 0.651 1.00 0.51 H new ATOM 0 HE1 PHE B 60 5.751 -3.479 -1.623 1.00 0.48 H new ATOM 0 HE2 PHE B 60 7.988 -2.710 1.958 1.00 0.50 H new ATOM 0 HZ PHE B 60 6.049 -3.752 0.821 1.00 0.30 H new ATOM 1288 N ILE B 61 9.402 -2.435 -4.578 1.00 0.38 N ATOM 1289 CA ILE B 61 8.768 -3.420 -5.524 1.00 0.47 C ATOM 1290 C ILE B 61 9.830 -4.369 -6.114 1.00 0.50 C ATOM 1291 O ILE B 61 9.535 -5.499 -6.462 1.00 0.57 O ATOM 1292 CB ILE B 61 8.093 -2.593 -6.636 1.00 0.54 C ATOM 1293 CG1 ILE B 61 9.111 -1.667 -7.307 1.00 0.82 C ATOM 1294 CG2 ILE B 61 6.963 -1.747 -6.044 1.00 1.05 C ATOM 1295 CD1 ILE B 61 9.671 -2.337 -8.566 1.00 1.36 C ATOM 0 H ILE B 61 9.270 -1.452 -4.817 1.00 0.38 H new ATOM 0 HA ILE B 61 8.039 -4.044 -5.008 1.00 0.47 H new ATOM 0 HB ILE B 61 7.689 -3.281 -7.378 1.00 0.54 H new ATOM 0 HG12 ILE B 61 8.638 -0.720 -7.567 1.00 0.82 H new ATOM 0 HG13 ILE B 61 9.921 -1.439 -6.614 1.00 0.82 H new ATOM 0 HG21 ILE B 61 6.491 -1.165 -6.836 1.00 1.05 H new ATOM 0 HG22 ILE B 61 6.222 -2.400 -5.583 1.00 1.05 H new ATOM 0 HG23 ILE B 61 7.370 -1.072 -5.291 1.00 1.05 H new ATOM 0 HD11 ILE B 61 10.395 -1.674 -9.040 1.00 1.36 H new ATOM 0 HD12 ILE B 61 10.160 -3.272 -8.294 1.00 1.36 H new ATOM 0 HD13 ILE B 61 8.857 -2.542 -9.262 1.00 1.36 H new ATOM 1307 N ALA B 62 11.060 -3.926 -6.221 1.00 0.51 N ATOM 1308 CA ALA B 62 12.137 -4.803 -6.778 1.00 0.57 C ATOM 1309 C ALA B 62 12.537 -5.887 -5.761 1.00 0.51 C ATOM 1310 O ALA B 62 12.563 -7.061 -6.081 1.00 0.53 O ATOM 1311 CB ALA B 62 13.311 -3.860 -7.058 1.00 0.64 C ATOM 0 H ALA B 62 11.365 -2.992 -5.946 1.00 0.51 H new ATOM 0 HA ALA B 62 11.813 -5.329 -7.676 1.00 0.57 H new ATOM 0 HB1 ALA B 62 14.144 -4.429 -7.470 1.00 0.64 H new ATOM 0 HB2 ALA B 62 13.003 -3.098 -7.774 1.00 0.64 H new ATOM 0 HB3 ALA B 62 13.622 -3.381 -6.130 1.00 0.64 H new ATOM 1317 N VAL B 63 12.841 -5.509 -4.540 1.00 0.45 N ATOM 1318 CA VAL B 63 13.234 -6.532 -3.508 1.00 0.43 C ATOM 1319 C VAL B 63 12.134 -7.600 -3.341 1.00 0.41 C ATOM 1320 O VAL B 63 12.397 -8.708 -2.915 1.00 0.47 O ATOM 1321 CB VAL B 63 13.464 -5.743 -2.207 1.00 0.38 C ATOM 1322 CG1 VAL B 63 12.133 -5.329 -1.577 1.00 0.32 C ATOM 1323 CG2 VAL B 63 14.233 -6.616 -1.215 1.00 0.39 C ATOM 0 H VAL B 63 12.835 -4.543 -4.212 1.00 0.45 H new ATOM 0 HA VAL B 63 14.132 -7.076 -3.800 1.00 0.43 H new ATOM 0 HB VAL B 63 14.034 -4.845 -2.445 1.00 0.38 H new ATOM 0 HG11 VAL B 63 12.322 -4.773 -0.659 1.00 0.32 H new ATOM 0 HG12 VAL B 63 11.580 -4.700 -2.275 1.00 0.32 H new ATOM 0 HG13 VAL B 63 11.547 -6.219 -1.348 1.00 0.32 H new ATOM 0 HG21 VAL B 63 14.398 -6.060 -0.292 1.00 0.39 H new ATOM 0 HG22 VAL B 63 13.656 -7.515 -0.999 1.00 0.39 H new ATOM 0 HG23 VAL B 63 15.194 -6.896 -1.646 1.00 0.39 H new ATOM 1333 N CYS B 64 10.912 -7.282 -3.694 1.00 0.36 N ATOM 1334 CA CYS B 64 9.803 -8.282 -3.579 1.00 0.39 C ATOM 1335 C CYS B 64 9.933 -9.372 -4.666 1.00 0.49 C ATOM 1336 O CYS B 64 9.288 -10.400 -4.602 1.00 0.58 O ATOM 1337 CB CYS B 64 8.525 -7.459 -3.781 1.00 0.41 C ATOM 1338 SG CYS B 64 7.096 -8.383 -3.167 1.00 0.52 S ATOM 0 H CYS B 64 10.634 -6.371 -4.058 1.00 0.36 H new ATOM 0 HA CYS B 64 9.812 -8.805 -2.623 1.00 0.39 H new ATOM 0 HB2 CYS B 64 8.607 -6.508 -3.255 1.00 0.41 H new ATOM 0 HB3 CYS B 64 8.393 -7.229 -4.838 1.00 0.41 H new ATOM 0 HG CYS B 64 7.504 -9.433 -2.519 1.00 0.52 H new ATOM 1344 N GLY B 65 10.761 -9.157 -5.664 1.00 0.51 N ATOM 1345 CA GLY B 65 10.925 -10.181 -6.747 1.00 0.63 C ATOM 1346 C GLY B 65 9.968 -9.881 -7.906 1.00 0.67 C ATOM 1347 O GLY B 65 9.473 -10.783 -8.549 1.00 1.34 O ATOM 0 H GLY B 65 11.329 -8.317 -5.775 1.00 0.51 H new ATOM 0 HA2 GLY B 65 11.954 -10.180 -7.106 1.00 0.63 H new ATOM 0 HA3 GLY B 65 10.727 -11.176 -6.350 1.00 0.63 H new ATOM 1351 N GLU B 66 9.710 -8.617 -8.173 1.00 0.96 N ATOM 1352 CA GLU B 66 8.787 -8.221 -9.298 1.00 1.00 C ATOM 1353 C GLU B 66 7.455 -9.006 -9.275 1.00 1.02 C ATOM 1354 O GLU B 66 6.767 -9.106 -10.273 1.00 1.28 O ATOM 1355 CB GLU B 66 9.580 -8.533 -10.571 1.00 1.15 C ATOM 1356 CG GLU B 66 10.544 -7.377 -10.868 1.00 1.68 C ATOM 1357 CD GLU B 66 11.196 -7.584 -12.233 1.00 2.24 C ATOM 1358 OE1 GLU B 66 10.575 -7.231 -13.221 1.00 2.71 O ATOM 1359 OE2 GLU B 66 12.307 -8.084 -12.265 1.00 2.83 O ATOM 0 H GLU B 66 10.104 -7.832 -7.654 1.00 0.96 H new ATOM 0 HA GLU B 66 8.498 -7.173 -9.222 1.00 1.00 H new ATOM 0 HB2 GLU B 66 10.136 -9.462 -10.447 1.00 1.15 H new ATOM 0 HB3 GLU B 66 8.899 -8.678 -11.410 1.00 1.15 H new ATOM 0 HG2 GLU B 66 10.006 -6.429 -10.852 1.00 1.68 H new ATOM 0 HG3 GLU B 66 11.309 -7.322 -10.094 1.00 1.68 H new ATOM 1366 N GLN B 67 7.076 -9.554 -8.149 1.00 0.86 N ATOM 1367 CA GLN B 67 5.790 -10.326 -8.083 1.00 0.95 C ATOM 1368 C GLN B 67 4.619 -9.427 -7.636 1.00 0.81 C ATOM 1369 O GLN B 67 3.816 -9.807 -6.805 1.00 0.83 O ATOM 1370 CB GLN B 67 6.054 -11.445 -7.064 1.00 1.08 C ATOM 1371 CG GLN B 67 6.453 -10.839 -5.709 1.00 0.97 C ATOM 1372 CD GLN B 67 5.584 -11.424 -4.595 1.00 1.26 C ATOM 1373 OE1 GLN B 67 4.709 -10.764 -4.083 1.00 1.85 O ATOM 1374 NE2 GLN B 67 5.791 -12.639 -4.191 1.00 1.66 N ATOM 0 H GLN B 67 7.596 -9.503 -7.273 1.00 0.86 H new ATOM 0 HA GLN B 67 5.502 -10.721 -9.057 1.00 0.95 H new ATOM 0 HB2 GLN B 67 5.162 -12.060 -6.948 1.00 1.08 H new ATOM 0 HB3 GLN B 67 6.847 -12.099 -7.427 1.00 1.08 H new ATOM 0 HG2 GLN B 67 7.504 -11.043 -5.506 1.00 0.97 H new ATOM 0 HG3 GLN B 67 6.339 -9.755 -5.739 1.00 0.97 H new ATOM 0 HE21 GLN B 67 6.527 -13.200 -4.619 1.00 1.66 H new ATOM 0 HE22 GLN B 67 5.217 -13.033 -3.445 1.00 1.66 H new ATOM 1383 N LEU B 68 4.511 -8.247 -8.194 1.00 0.68 N ATOM 1384 CA LEU B 68 3.387 -7.329 -7.814 1.00 0.57 C ATOM 1385 C LEU B 68 2.635 -6.858 -9.066 1.00 0.50 C ATOM 1386 O LEU B 68 3.225 -6.310 -9.981 1.00 0.63 O ATOM 1387 CB LEU B 68 4.049 -6.128 -7.126 1.00 0.54 C ATOM 1388 CG LEU B 68 4.655 -6.551 -5.788 1.00 0.61 C ATOM 1389 CD1 LEU B 68 5.790 -5.598 -5.423 1.00 0.68 C ATOM 1390 CD2 LEU B 68 3.583 -6.489 -4.704 1.00 0.73 C ATOM 0 H LEU B 68 5.151 -7.877 -8.897 1.00 0.68 H new ATOM 0 HA LEU B 68 2.666 -7.828 -7.166 1.00 0.57 H new ATOM 0 HB2 LEU B 68 4.825 -5.714 -7.770 1.00 0.54 H new ATOM 0 HB3 LEU B 68 3.313 -5.340 -6.967 1.00 0.54 H new ATOM 0 HG LEU B 68 5.039 -7.568 -5.868 1.00 0.61 H new ATOM 0 HD11 LEU B 68 6.224 -5.897 -4.469 1.00 0.68 H new ATOM 0 HD12 LEU B 68 6.557 -5.632 -6.197 1.00 0.68 H new ATOM 0 HD13 LEU B 68 5.401 -4.583 -5.342 1.00 0.68 H new ATOM 0 HD21 LEU B 68 4.013 -6.790 -3.749 1.00 0.73 H new ATOM 0 HD22 LEU B 68 3.203 -5.470 -4.626 1.00 0.73 H new ATOM 0 HD23 LEU B 68 2.765 -7.162 -4.962 1.00 0.73 H new ATOM 1402 N ASP B 69 1.344 -7.056 -9.110 1.00 0.35 N ATOM 1403 CA ASP B 69 0.556 -6.609 -10.299 1.00 0.33 C ATOM 1404 C ASP B 69 0.574 -5.071 -10.415 1.00 0.28 C ATOM 1405 O ASP B 69 1.096 -4.374 -9.558 1.00 0.28 O ATOM 1406 CB ASP B 69 -0.867 -7.128 -10.045 1.00 0.34 C ATOM 1407 CG ASP B 69 -0.881 -8.655 -10.096 1.00 0.43 C ATOM 1408 OD1 ASP B 69 -0.626 -9.195 -11.158 1.00 1.12 O ATOM 1409 OD2 ASP B 69 -1.149 -9.257 -9.071 1.00 1.08 O ATOM 0 H ASP B 69 0.800 -7.508 -8.375 1.00 0.35 H new ATOM 0 HA ASP B 69 0.966 -6.990 -11.235 1.00 0.33 H new ATOM 0 HB2 ASP B 69 -1.220 -6.785 -9.073 1.00 0.34 H new ATOM 0 HB3 ASP B 69 -1.550 -6.724 -10.793 1.00 0.34 H new ATOM 1414 N GLU B 70 0.014 -4.545 -11.477 1.00 0.29 N ATOM 1415 CA GLU B 70 -0.011 -3.051 -11.695 1.00 0.32 C ATOM 1416 C GLU B 70 -0.247 -2.286 -10.376 1.00 0.29 C ATOM 1417 O GLU B 70 0.524 -1.418 -10.005 1.00 0.39 O ATOM 1418 CB GLU B 70 -1.177 -2.774 -12.667 1.00 0.38 C ATOM 1419 CG GLU B 70 -1.216 -3.807 -13.807 1.00 1.41 C ATOM 1420 CD GLU B 70 -2.163 -3.326 -14.904 1.00 1.89 C ATOM 1421 OE1 GLU B 70 -3.358 -3.509 -14.747 1.00 2.63 O ATOM 1422 OE2 GLU B 70 -1.675 -2.788 -15.881 1.00 2.11 O ATOM 0 H GLU B 70 -0.434 -5.088 -12.215 1.00 0.29 H new ATOM 0 HA GLU B 70 0.947 -2.714 -12.092 1.00 0.32 H new ATOM 0 HB2 GLU B 70 -2.120 -2.796 -12.121 1.00 0.38 H new ATOM 0 HB3 GLU B 70 -1.074 -1.773 -13.085 1.00 0.38 H new ATOM 0 HG2 GLU B 70 -0.215 -3.951 -14.214 1.00 1.41 H new ATOM 0 HG3 GLU B 70 -1.547 -4.773 -13.425 1.00 1.41 H new ATOM 1429 N ASN B 71 -1.311 -2.593 -9.670 1.00 0.21 N ATOM 1430 CA ASN B 71 -1.604 -1.873 -8.381 1.00 0.24 C ATOM 1431 C ASN B 71 -0.417 -1.943 -7.404 1.00 0.19 C ATOM 1432 O ASN B 71 -0.154 -1.003 -6.679 1.00 0.18 O ATOM 1433 CB ASN B 71 -2.843 -2.565 -7.789 1.00 0.32 C ATOM 1434 CG ASN B 71 -2.525 -4.022 -7.442 1.00 1.09 C ATOM 1435 OD1 ASN B 71 -2.687 -4.895 -8.256 1.00 1.32 O ATOM 1436 ND2 ASN B 71 -2.075 -4.320 -6.261 1.00 2.14 N ATOM 0 H ASN B 71 -1.990 -3.309 -9.928 1.00 0.21 H new ATOM 0 HA ASN B 71 -1.779 -0.812 -8.559 1.00 0.24 H new ATOM 0 HB2 ASN B 71 -3.171 -2.035 -6.895 1.00 0.32 H new ATOM 0 HB3 ASN B 71 -3.666 -2.526 -8.503 1.00 0.32 H new ATOM 0 HD21 ASN B 71 -1.861 -5.289 -6.027 1.00 2.14 H new ATOM 0 HD22 ASN B 71 -1.936 -3.585 -5.568 1.00 2.14 H new ATOM 1443 N GLY B 72 0.305 -3.038 -7.381 1.00 0.20 N ATOM 1444 CA GLY B 72 1.478 -3.149 -6.454 1.00 0.17 C ATOM 1445 C GLY B 72 2.509 -2.076 -6.808 1.00 0.12 C ATOM 1446 O GLY B 72 3.104 -1.464 -5.942 1.00 0.13 O ATOM 0 H GLY B 72 0.134 -3.858 -7.962 1.00 0.20 H new ATOM 0 HA2 GLY B 72 1.152 -3.029 -5.421 1.00 0.17 H new ATOM 0 HA3 GLY B 72 1.926 -4.140 -6.533 1.00 0.17 H new ATOM 1450 N GLN B 73 2.708 -1.830 -8.076 1.00 0.14 N ATOM 1451 CA GLN B 73 3.685 -0.779 -8.501 1.00 0.13 C ATOM 1452 C GLN B 73 3.071 0.619 -8.308 1.00 0.15 C ATOM 1453 O GLN B 73 3.742 1.551 -7.903 1.00 0.17 O ATOM 1454 CB GLN B 73 3.950 -1.060 -9.985 1.00 0.16 C ATOM 1455 CG GLN B 73 4.765 -2.353 -10.128 1.00 0.18 C ATOM 1456 CD GLN B 73 5.790 -2.202 -11.254 1.00 0.32 C ATOM 1457 OE1 GLN B 73 7.051 -2.373 -10.999 1.00 0.95 O flip ATOM 1458 NE2 GLN B 73 5.441 -1.922 -12.377 1.00 0.94 N flip ATOM 0 H GLN B 73 2.235 -2.313 -8.840 1.00 0.14 H new ATOM 0 HA GLN B 73 4.605 -0.803 -7.917 1.00 0.13 H new ATOM 0 HB2 GLN B 73 3.006 -1.152 -10.522 1.00 0.16 H new ATOM 0 HB3 GLN B 73 4.491 -0.226 -10.432 1.00 0.16 H new ATOM 0 HG2 GLN B 73 5.273 -2.578 -9.190 1.00 0.18 H new ATOM 0 HG3 GLN B 73 4.100 -3.190 -10.340 1.00 0.18 H new ATOM 0 HE21 GLN B 73 4.452 -1.786 -12.585 1.00 0.94 H new ATOM 0 HE22 GLN B 73 6.136 -1.822 -13.117 1.00 0.94 H new ATOM 1467 N ASN B 74 1.797 0.765 -8.590 1.00 0.18 N ATOM 1468 CA ASN B 74 1.125 2.097 -8.418 1.00 0.21 C ATOM 1469 C ASN B 74 1.036 2.473 -6.926 1.00 0.18 C ATOM 1470 O ASN B 74 1.236 3.614 -6.549 1.00 0.21 O ATOM 1471 CB ASN B 74 -0.283 1.911 -9.007 1.00 0.25 C ATOM 1472 CG ASN B 74 -0.199 1.675 -10.517 1.00 0.27 C ATOM 1473 OD1 ASN B 74 0.569 2.311 -11.206 1.00 0.81 O ATOM 1474 ND2 ASN B 74 -0.971 0.790 -11.070 1.00 0.66 N ATOM 0 H ASN B 74 1.192 0.019 -8.932 1.00 0.18 H new ATOM 0 HA ASN B 74 1.676 2.898 -8.911 1.00 0.21 H new ATOM 0 HB2 ASN B 74 -0.777 1.066 -8.527 1.00 0.25 H new ATOM 0 HB3 ASN B 74 -0.890 2.793 -8.803 1.00 0.25 H new ATOM 0 HD21 ASN B 74 -0.928 0.634 -12.077 1.00 0.66 H new ATOM 0 HD22 ASN B 74 -1.620 0.250 -10.497 1.00 0.66 H new ATOM 1481 N LEU B 75 0.728 1.521 -6.080 1.00 0.14 N ATOM 1482 CA LEU B 75 0.609 1.809 -4.611 1.00 0.12 C ATOM 1483 C LEU B 75 1.962 2.218 -4.002 1.00 0.12 C ATOM 1484 O LEU B 75 2.066 3.238 -3.347 1.00 0.13 O ATOM 1485 CB LEU B 75 0.113 0.491 -3.999 1.00 0.12 C ATOM 1486 CG LEU B 75 0.106 0.594 -2.469 1.00 0.13 C ATOM 1487 CD1 LEU B 75 -1.328 0.500 -1.956 1.00 0.14 C ATOM 1488 CD2 LEU B 75 0.924 -0.553 -1.877 1.00 0.15 C ATOM 0 H LEU B 75 0.552 0.551 -6.342 1.00 0.14 H new ATOM 0 HA LEU B 75 -0.066 2.642 -4.416 1.00 0.12 H new ATOM 0 HB2 LEU B 75 -0.890 0.267 -4.361 1.00 0.12 H new ATOM 0 HB3 LEU B 75 0.756 -0.331 -4.314 1.00 0.12 H new ATOM 0 HG LEU B 75 0.540 1.549 -2.171 1.00 0.13 H new ATOM 0 HD11 LEU B 75 -1.331 0.573 -0.868 1.00 0.14 H new ATOM 0 HD12 LEU B 75 -1.919 1.314 -2.376 1.00 0.14 H new ATOM 0 HD13 LEU B 75 -1.760 -0.455 -2.256 1.00 0.14 H new ATOM 0 HD21 LEU B 75 0.919 -0.480 -0.789 1.00 0.15 H new ATOM 0 HD22 LEU B 75 0.487 -1.505 -2.179 1.00 0.15 H new ATOM 0 HD23 LEU B 75 1.950 -0.493 -2.240 1.00 0.15 H new ATOM 1500 N ILE B 76 2.991 1.428 -4.193 1.00 0.13 N ATOM 1501 CA ILE B 76 4.327 1.772 -3.598 1.00 0.15 C ATOM 1502 C ILE B 76 4.777 3.184 -4.016 1.00 0.17 C ATOM 1503 O ILE B 76 5.266 3.945 -3.199 1.00 0.21 O ATOM 1504 CB ILE B 76 5.296 0.694 -4.106 1.00 0.16 C ATOM 1505 CG1 ILE B 76 4.868 -0.679 -3.566 1.00 0.16 C ATOM 1506 CG2 ILE B 76 6.713 0.996 -3.610 1.00 0.18 C ATOM 1507 CD1 ILE B 76 4.730 -0.619 -2.041 1.00 0.16 C ATOM 0 H ILE B 76 2.967 0.563 -4.732 1.00 0.13 H new ATOM 0 HA ILE B 76 4.290 1.787 -2.509 1.00 0.15 H new ATOM 0 HB ILE B 76 5.279 0.688 -5.196 1.00 0.16 H new ATOM 0 HG12 ILE B 76 3.920 -0.977 -4.014 1.00 0.16 H new ATOM 0 HG13 ILE B 76 5.603 -1.434 -3.844 1.00 0.16 H new ATOM 0 HG21 ILE B 76 7.397 0.229 -3.973 1.00 0.18 H new ATOM 0 HG22 ILE B 76 7.029 1.970 -3.983 1.00 0.18 H new ATOM 0 HG23 ILE B 76 6.723 1.005 -2.520 1.00 0.18 H new ATOM 0 HD11 ILE B 76 4.426 -1.596 -1.664 1.00 0.16 H new ATOM 0 HD12 ILE B 76 5.687 -0.342 -1.600 1.00 0.16 H new ATOM 0 HD13 ILE B 76 3.978 0.123 -1.773 1.00 0.16 H new ATOM 1519 N ARG B 77 4.605 3.557 -5.262 1.00 0.19 N ATOM 1520 CA ARG B 77 5.017 4.937 -5.681 1.00 0.23 C ATOM 1521 C ARG B 77 4.156 5.978 -4.943 1.00 0.23 C ATOM 1522 O ARG B 77 4.676 6.847 -4.271 1.00 0.30 O ATOM 1523 CB ARG B 77 4.801 5.000 -7.199 1.00 0.27 C ATOM 1524 CG ARG B 77 6.150 4.818 -7.909 1.00 1.11 C ATOM 1525 CD ARG B 77 6.032 5.270 -9.365 1.00 1.18 C ATOM 1526 NE ARG B 77 6.806 4.250 -10.147 1.00 1.44 N ATOM 1527 CZ ARG B 77 7.766 4.617 -10.941 1.00 1.93 C ATOM 1528 NH1 ARG B 77 7.498 5.310 -11.994 1.00 2.43 N ATOM 1529 NH2 ARG B 77 8.986 4.286 -10.677 1.00 2.32 N ATOM 0 H ARG B 77 4.203 2.976 -5.998 1.00 0.19 H new ATOM 0 HA ARG B 77 6.057 5.153 -5.435 1.00 0.23 H new ATOM 0 HB2 ARG B 77 4.104 4.222 -7.512 1.00 0.27 H new ATOM 0 HB3 ARG B 77 4.357 5.956 -7.476 1.00 0.27 H new ATOM 0 HG2 ARG B 77 6.921 5.397 -7.400 1.00 1.11 H new ATOM 0 HG3 ARG B 77 6.456 3.773 -7.866 1.00 1.11 H new ATOM 0 HD2 ARG B 77 4.991 5.307 -9.685 1.00 1.18 H new ATOM 0 HD3 ARG B 77 6.443 6.270 -9.503 1.00 1.18 H new ATOM 0 HE ARG B 77 6.576 3.261 -10.054 1.00 1.44 H new ATOM 0 HH11 ARG B 77 6.534 5.569 -12.202 1.00 2.43 H new ATOM 0 HH12 ARG B 77 8.250 5.599 -12.619 1.00 2.43 H new ATOM 0 HH21 ARG B 77 9.196 3.736 -9.844 1.00 2.32 H new ATOM 0 HH22 ARG B 77 9.739 4.575 -11.301 1.00 2.32 H new ATOM 1543 N VAL B 78 2.847 5.875 -5.033 1.00 0.21 N ATOM 1544 CA VAL B 78 1.957 6.844 -4.302 1.00 0.22 C ATOM 1545 C VAL B 78 2.308 6.836 -2.803 1.00 0.20 C ATOM 1546 O VAL B 78 2.452 7.873 -2.177 1.00 0.24 O ATOM 1547 CB VAL B 78 0.523 6.331 -4.540 1.00 0.22 C ATOM 1548 CG1 VAL B 78 -0.330 6.518 -3.281 1.00 0.19 C ATOM 1549 CG2 VAL B 78 -0.114 7.117 -5.685 1.00 0.32 C ATOM 0 H VAL B 78 2.357 5.166 -5.578 1.00 0.21 H new ATOM 0 HA VAL B 78 2.073 7.870 -4.651 1.00 0.22 H new ATOM 0 HB VAL B 78 0.570 5.271 -4.788 1.00 0.22 H new ATOM 0 HG11 VAL B 78 -1.339 6.150 -3.467 1.00 0.19 H new ATOM 0 HG12 VAL B 78 0.113 5.961 -2.456 1.00 0.19 H new ATOM 0 HG13 VAL B 78 -0.371 7.576 -3.023 1.00 0.19 H new ATOM 0 HG21 VAL B 78 -1.128 6.755 -5.855 1.00 0.32 H new ATOM 0 HG22 VAL B 78 -0.145 8.176 -5.427 1.00 0.32 H new ATOM 0 HG23 VAL B 78 0.476 6.982 -6.592 1.00 0.32 H new ATOM 1559 N MET B 79 2.467 5.666 -2.234 1.00 0.18 N ATOM 1560 CA MET B 79 2.832 5.568 -0.788 1.00 0.20 C ATOM 1561 C MET B 79 4.163 6.304 -0.544 1.00 0.27 C ATOM 1562 O MET B 79 4.322 7.024 0.426 1.00 0.32 O ATOM 1563 CB MET B 79 2.965 4.065 -0.528 1.00 0.18 C ATOM 1564 CG MET B 79 1.575 3.446 -0.354 1.00 0.13 C ATOM 1565 SD MET B 79 1.331 2.980 1.378 1.00 0.19 S ATOM 1566 CE MET B 79 2.670 1.769 1.487 1.00 0.25 C ATOM 0 H MET B 79 2.359 4.771 -2.712 1.00 0.18 H new ATOM 0 HA MET B 79 2.098 6.023 -0.124 1.00 0.20 H new ATOM 0 HB2 MET B 79 3.485 3.587 -1.358 1.00 0.18 H new ATOM 0 HB3 MET B 79 3.565 3.892 0.366 1.00 0.18 H new ATOM 0 HG2 MET B 79 0.808 4.157 -0.661 1.00 0.13 H new ATOM 0 HG3 MET B 79 1.473 2.570 -0.995 1.00 0.13 H new ATOM 0 HE1 MET B 79 2.386 0.973 2.175 1.00 0.25 H new ATOM 0 HE2 MET B 79 2.859 1.346 0.501 1.00 0.25 H new ATOM 0 HE3 MET B 79 3.574 2.258 1.851 1.00 0.25 H new ATOM 1576 N ALA B 80 5.107 6.157 -1.443 1.00 0.30 N ATOM 1577 CA ALA B 80 6.410 6.879 -1.295 1.00 0.38 C ATOM 1578 C ALA B 80 6.187 8.378 -1.551 1.00 0.41 C ATOM 1579 O ALA B 80 6.721 9.222 -0.857 1.00 0.49 O ATOM 1580 CB ALA B 80 7.326 6.268 -2.361 1.00 0.41 C ATOM 0 H ALA B 80 5.031 5.568 -2.273 1.00 0.30 H new ATOM 0 HA ALA B 80 6.843 6.781 -0.299 1.00 0.38 H new ATOM 0 HB1 ALA B 80 8.305 6.746 -2.317 1.00 0.41 H new ATOM 0 HB2 ALA B 80 7.436 5.199 -2.177 1.00 0.41 H new ATOM 0 HB3 ALA B 80 6.890 6.424 -3.348 1.00 0.41 H new ATOM 1586 N GLU B 81 5.372 8.700 -2.527 1.00 0.39 N ATOM 1587 CA GLU B 81 5.057 10.134 -2.843 1.00 0.45 C ATOM 1588 C GLU B 81 4.575 10.873 -1.577 1.00 0.54 C ATOM 1589 O GLU B 81 4.786 12.060 -1.418 1.00 0.75 O ATOM 1590 CB GLU B 81 3.927 10.039 -3.880 1.00 0.44 C ATOM 1591 CG GLU B 81 3.868 11.311 -4.737 1.00 0.85 C ATOM 1592 CD GLU B 81 2.919 11.088 -5.918 1.00 1.20 C ATOM 1593 OE1 GLU B 81 3.294 10.363 -6.825 1.00 1.76 O ATOM 1594 OE2 GLU B 81 1.834 11.643 -5.894 1.00 1.86 O ATOM 0 H GLU B 81 4.904 8.022 -3.128 1.00 0.39 H new ATOM 0 HA GLU B 81 5.921 10.688 -3.210 1.00 0.45 H new ATOM 0 HB2 GLU B 81 4.086 9.171 -4.520 1.00 0.44 H new ATOM 0 HB3 GLU B 81 2.973 9.891 -3.373 1.00 0.44 H new ATOM 0 HG2 GLU B 81 3.525 12.152 -4.135 1.00 0.85 H new ATOM 0 HG3 GLU B 81 4.864 11.564 -5.100 1.00 0.85 H new ATOM 1601 N ASN B 82 3.932 10.172 -0.675 1.00 0.59 N ATOM 1602 CA ASN B 82 3.432 10.819 0.581 1.00 0.75 C ATOM 1603 C ASN B 82 4.499 10.793 1.701 1.00 1.42 C ATOM 1604 O ASN B 82 4.239 11.192 2.821 1.00 2.08 O ATOM 1605 CB ASN B 82 2.199 9.991 0.964 1.00 1.08 C ATOM 1606 CG ASN B 82 0.999 10.454 0.136 1.00 1.03 C ATOM 1607 OD1 ASN B 82 0.034 10.948 0.672 1.00 1.74 O ATOM 1608 ND2 ASN B 82 1.010 10.310 -1.155 1.00 0.67 N ATOM 0 H ASN B 82 3.731 9.175 -0.754 1.00 0.59 H new ATOM 0 HA ASN B 82 3.198 11.874 0.436 1.00 0.75 H new ATOM 0 HB2 ASN B 82 2.389 8.932 0.788 1.00 1.08 H new ATOM 0 HB3 ASN B 82 1.987 10.105 2.027 1.00 1.08 H new ATOM 0 HD21 ASN B 82 0.209 10.613 -1.709 1.00 0.67 H new ATOM 0 HD22 ASN B 82 1.820 9.894 -1.615 1.00 0.67 H new ATOM 1615 N GLY B 83 5.699 10.346 1.408 1.00 1.48 N ATOM 1616 CA GLY B 83 6.778 10.318 2.451 1.00 2.25 C ATOM 1617 C GLY B 83 6.465 9.283 3.537 1.00 1.75 C ATOM 1618 O GLY B 83 6.709 9.518 4.708 1.00 2.25 O ATOM 0 H GLY B 83 5.979 9.999 0.491 1.00 1.48 H new ATOM 0 HA2 GLY B 83 7.734 10.082 1.984 1.00 2.25 H new ATOM 0 HA3 GLY B 83 6.878 11.305 2.902 1.00 2.25 H new ATOM 1622 N ARG B 84 5.940 8.141 3.167 1.00 0.95 N ATOM 1623 CA ARG B 84 5.628 7.094 4.193 1.00 0.64 C ATOM 1624 C ARG B 84 5.491 5.691 3.554 1.00 0.50 C ATOM 1625 O ARG B 84 4.735 4.860 4.019 1.00 0.53 O ATOM 1626 CB ARG B 84 4.310 7.554 4.833 1.00 0.90 C ATOM 1627 CG ARG B 84 4.131 6.863 6.191 1.00 1.75 C ATOM 1628 CD ARG B 84 5.143 7.429 7.197 1.00 2.12 C ATOM 1629 NE ARG B 84 5.833 6.236 7.783 1.00 3.09 N ATOM 1630 CZ ARG B 84 6.031 6.157 9.061 1.00 3.76 C ATOM 1631 NH1 ARG B 84 7.057 6.729 9.589 1.00 4.22 N ATOM 1632 NH2 ARG B 84 5.211 5.496 9.803 1.00 4.19 N ATOM 0 H ARG B 84 5.714 7.888 2.205 1.00 0.95 H new ATOM 0 HA ARG B 84 6.426 6.995 4.929 1.00 0.64 H new ATOM 0 HB2 ARG B 84 4.314 8.636 4.962 1.00 0.90 H new ATOM 0 HB3 ARG B 84 3.472 7.314 4.178 1.00 0.90 H new ATOM 0 HG2 ARG B 84 3.116 7.016 6.557 1.00 1.75 H new ATOM 0 HG3 ARG B 84 4.273 5.788 6.084 1.00 1.75 H new ATOM 0 HD2 ARG B 84 5.855 8.093 6.706 1.00 2.12 H new ATOM 0 HD3 ARG B 84 4.644 8.013 7.970 1.00 2.12 H new ATOM 0 HE ARG B 84 6.149 5.482 7.173 1.00 3.09 H new ATOM 0 HH11 ARG B 84 7.713 7.244 9.001 1.00 4.22 H new ATOM 0 HH12 ARG B 84 7.214 6.667 10.595 1.00 4.22 H new ATOM 0 HH21 ARG B 84 4.404 5.033 9.385 1.00 4.19 H new ATOM 0 HH22 ARG B 84 5.369 5.435 10.809 1.00 4.19 H new ATOM 1646 N LEU B 85 6.240 5.412 2.509 1.00 0.51 N ATOM 1647 CA LEU B 85 6.168 4.053 1.857 1.00 0.38 C ATOM 1648 C LEU B 85 6.569 2.947 2.860 1.00 0.39 C ATOM 1649 O LEU B 85 6.184 1.802 2.723 1.00 0.41 O ATOM 1650 CB LEU B 85 7.173 4.122 0.691 1.00 0.36 C ATOM 1651 CG LEU B 85 6.910 3.037 -0.381 1.00 0.29 C ATOM 1652 CD1 LEU B 85 8.042 2.015 -0.366 1.00 0.27 C ATOM 1653 CD2 LEU B 85 5.595 2.295 -0.139 1.00 0.29 C ATOM 0 H LEU B 85 6.897 6.062 2.078 1.00 0.51 H new ATOM 0 HA LEU B 85 5.161 3.812 1.517 1.00 0.38 H new ATOM 0 HB2 LEU B 85 7.120 5.107 0.227 1.00 0.36 H new ATOM 0 HB3 LEU B 85 8.185 4.007 1.080 1.00 0.36 H new ATOM 0 HG LEU B 85 6.852 3.545 -1.344 1.00 0.29 H new ATOM 0 HD11 LEU B 85 7.854 1.252 -1.122 1.00 0.27 H new ATOM 0 HD12 LEU B 85 8.986 2.515 -0.582 1.00 0.27 H new ATOM 0 HD13 LEU B 85 8.096 1.546 0.617 1.00 0.27 H new ATOM 0 HD21 LEU B 85 5.453 1.544 -0.916 1.00 0.29 H new ATOM 0 HD22 LEU B 85 5.626 1.808 0.836 1.00 0.29 H new ATOM 0 HD23 LEU B 85 4.767 3.004 -0.164 1.00 0.29 H new ATOM 1665 N ASN B 86 7.332 3.277 3.875 1.00 0.47 N ATOM 1666 CA ASN B 86 7.735 2.233 4.872 1.00 0.57 C ATOM 1667 C ASN B 86 6.541 1.805 5.756 1.00 0.55 C ATOM 1668 O ASN B 86 6.649 0.870 6.526 1.00 0.56 O ATOM 1669 CB ASN B 86 8.851 2.879 5.713 1.00 0.72 C ATOM 1670 CG ASN B 86 8.257 3.793 6.789 1.00 0.91 C ATOM 1671 OD1 ASN B 86 7.417 4.621 6.508 1.00 1.22 O ATOM 1672 ND2 ASN B 86 8.657 3.678 8.019 1.00 1.59 N ATOM 0 H ASN B 86 7.691 4.215 4.056 1.00 0.47 H new ATOM 0 HA ASN B 86 8.078 1.322 4.381 1.00 0.57 H new ATOM 0 HB2 ASN B 86 9.456 2.103 6.182 1.00 0.72 H new ATOM 0 HB3 ASN B 86 9.514 3.453 5.066 1.00 0.72 H new ATOM 0 HD21 ASN B 86 8.265 4.282 8.741 1.00 1.59 H new ATOM 0 HD22 ASN B 86 9.363 2.984 8.263 1.00 1.59 H new ATOM 1679 N ALA B 87 5.407 2.465 5.648 1.00 0.55 N ATOM 1680 CA ALA B 87 4.222 2.076 6.483 1.00 0.56 C ATOM 1681 C ALA B 87 3.413 0.945 5.809 1.00 0.54 C ATOM 1682 O ALA B 87 2.197 0.940 5.827 1.00 0.68 O ATOM 1683 CB ALA B 87 3.388 3.358 6.601 1.00 0.64 C ATOM 0 H ALA B 87 5.252 3.253 5.020 1.00 0.55 H new ATOM 0 HA ALA B 87 4.518 1.689 7.458 1.00 0.56 H new ATOM 0 HB1 ALA B 87 2.499 3.160 7.199 1.00 0.64 H new ATOM 0 HB2 ALA B 87 3.982 4.136 7.081 1.00 0.64 H new ATOM 0 HB3 ALA B 87 3.090 3.691 5.607 1.00 0.64 H new ATOM 1689 N LEU B 88 4.081 -0.022 5.228 1.00 0.47 N ATOM 1690 CA LEU B 88 3.356 -1.159 4.571 1.00 0.46 C ATOM 1691 C LEU B 88 2.641 -2.045 5.619 1.00 0.42 C ATOM 1692 O LEU B 88 1.519 -2.464 5.391 1.00 0.42 O ATOM 1693 CB LEU B 88 4.433 -1.948 3.819 1.00 0.51 C ATOM 1694 CG LEU B 88 3.897 -2.426 2.465 1.00 0.36 C ATOM 1695 CD1 LEU B 88 2.518 -3.061 2.641 1.00 0.35 C ATOM 1696 CD2 LEU B 88 3.786 -1.235 1.516 1.00 0.38 C ATOM 0 H LEU B 88 5.098 -0.075 5.179 1.00 0.47 H new ATOM 0 HA LEU B 88 2.576 -0.804 3.898 1.00 0.46 H new ATOM 0 HB2 LEU B 88 5.313 -1.322 3.669 1.00 0.51 H new ATOM 0 HB3 LEU B 88 4.749 -2.804 4.415 1.00 0.51 H new ATOM 0 HG LEU B 88 4.582 -3.167 2.052 1.00 0.36 H new ATOM 0 HD11 LEU B 88 2.146 -3.397 1.673 1.00 0.35 H new ATOM 0 HD12 LEU B 88 2.593 -3.913 3.317 1.00 0.35 H new ATOM 0 HD13 LEU B 88 1.830 -2.326 3.059 1.00 0.35 H new ATOM 0 HD21 LEU B 88 3.405 -1.572 0.552 1.00 0.38 H new ATOM 0 HD22 LEU B 88 3.104 -0.496 1.937 1.00 0.38 H new ATOM 0 HD23 LEU B 88 4.769 -0.785 1.380 1.00 0.38 H new ATOM 1708 N PRO B 89 3.283 -2.294 6.751 1.00 0.42 N ATOM 1709 CA PRO B 89 2.630 -3.116 7.804 1.00 0.43 C ATOM 1710 C PRO B 89 1.463 -2.321 8.404 1.00 0.39 C ATOM 1711 O PRO B 89 0.421 -2.869 8.713 1.00 0.41 O ATOM 1712 CB PRO B 89 3.744 -3.368 8.818 1.00 0.48 C ATOM 1713 CG PRO B 89 4.714 -2.250 8.613 1.00 0.46 C ATOM 1714 CD PRO B 89 4.625 -1.847 7.163 1.00 0.47 C ATOM 0 HA PRO B 89 2.208 -4.054 7.445 1.00 0.43 H new ATOM 0 HB2 PRO B 89 3.357 -3.373 9.837 1.00 0.48 H new ATOM 0 HB3 PRO B 89 4.217 -4.336 8.652 1.00 0.48 H new ATOM 0 HG2 PRO B 89 4.474 -1.408 9.262 1.00 0.46 H new ATOM 0 HG3 PRO B 89 5.726 -2.567 8.863 1.00 0.46 H new ATOM 0 HD2 PRO B 89 4.742 -0.770 7.040 1.00 0.47 H new ATOM 0 HD3 PRO B 89 5.404 -2.323 6.568 1.00 0.47 H new ATOM 1722 N ASP B 90 1.626 -1.024 8.521 1.00 0.37 N ATOM 1723 CA ASP B 90 0.533 -0.150 9.048 1.00 0.38 C ATOM 1724 C ASP B 90 -0.768 -0.437 8.266 1.00 0.40 C ATOM 1725 O ASP B 90 -1.864 -0.392 8.805 1.00 0.52 O ATOM 1726 CB ASP B 90 1.023 1.289 8.779 1.00 0.34 C ATOM 1727 CG ASP B 90 2.341 1.577 9.510 1.00 0.96 C ATOM 1728 OD1 ASP B 90 3.315 0.891 9.241 1.00 1.70 O ATOM 1729 OD2 ASP B 90 2.361 2.501 10.304 1.00 1.62 O ATOM 0 H ASP B 90 2.482 -0.529 8.270 1.00 0.37 H new ATOM 0 HA ASP B 90 0.322 -0.316 10.105 1.00 0.38 H new ATOM 0 HB2 ASP B 90 1.160 1.434 7.707 1.00 0.34 H new ATOM 0 HB3 ASP B 90 0.263 2.000 9.102 1.00 0.34 H new ATOM 1734 N VAL B 91 -0.644 -0.751 6.994 1.00 0.40 N ATOM 1735 CA VAL B 91 -1.854 -1.065 6.159 1.00 0.45 C ATOM 1736 C VAL B 91 -2.160 -2.575 6.232 1.00 0.43 C ATOM 1737 O VAL B 91 -3.308 -2.980 6.262 1.00 0.49 O ATOM 1738 CB VAL B 91 -1.535 -0.626 4.697 1.00 0.49 C ATOM 1739 CG1 VAL B 91 -0.359 0.356 4.651 1.00 0.94 C ATOM 1740 CG2 VAL B 91 -1.179 -1.840 3.830 1.00 1.51 C ATOM 0 H VAL B 91 0.245 -0.803 6.497 1.00 0.40 H new ATOM 0 HA VAL B 91 -2.734 -0.535 6.522 1.00 0.45 H new ATOM 0 HB VAL B 91 -2.431 -0.139 4.311 1.00 0.49 H new ATOM 0 HG11 VAL B 91 -0.164 0.641 3.617 1.00 0.94 H new ATOM 0 HG12 VAL B 91 -0.604 1.245 5.233 1.00 0.94 H new ATOM 0 HG13 VAL B 91 0.528 -0.119 5.070 1.00 0.94 H new ATOM 0 HG21 VAL B 91 -0.960 -1.510 2.814 1.00 1.51 H new ATOM 0 HG22 VAL B 91 -0.304 -2.340 4.246 1.00 1.51 H new ATOM 0 HG23 VAL B 91 -2.019 -2.534 3.813 1.00 1.51 H new ATOM 1750 N LEU B 92 -1.141 -3.404 6.263 1.00 0.37 N ATOM 1751 CA LEU B 92 -1.357 -4.888 6.337 1.00 0.37 C ATOM 1752 C LEU B 92 -2.290 -5.237 7.512 1.00 0.32 C ATOM 1753 O LEU B 92 -3.318 -5.863 7.321 1.00 0.34 O ATOM 1754 CB LEU B 92 0.053 -5.475 6.527 1.00 0.39 C ATOM 1755 CG LEU B 92 -0.013 -6.847 7.209 1.00 0.44 C ATOM 1756 CD1 LEU B 92 -0.156 -7.944 6.157 1.00 0.49 C ATOM 1757 CD2 LEU B 92 1.275 -7.078 7.995 1.00 0.53 C ATOM 0 H LEU B 92 -0.163 -3.115 6.240 1.00 0.37 H new ATOM 0 HA LEU B 92 -1.840 -5.292 5.447 1.00 0.37 H new ATOM 0 HB2 LEU B 92 0.546 -5.569 5.559 1.00 0.39 H new ATOM 0 HB3 LEU B 92 0.657 -4.795 7.127 1.00 0.39 H new ATOM 0 HG LEU B 92 -0.872 -6.874 7.879 1.00 0.44 H new ATOM 0 HD11 LEU B 92 -0.202 -8.916 6.649 1.00 0.49 H new ATOM 0 HD12 LEU B 92 -1.070 -7.783 5.585 1.00 0.49 H new ATOM 0 HD13 LEU B 92 0.702 -7.918 5.485 1.00 0.49 H new ATOM 0 HD21 LEU B 92 1.234 -8.052 8.482 1.00 0.53 H new ATOM 0 HD22 LEU B 92 2.126 -7.048 7.315 1.00 0.53 H new ATOM 0 HD23 LEU B 92 1.385 -6.299 8.750 1.00 0.53 H new ATOM 1769 N GLU B 93 -1.951 -4.823 8.712 1.00 0.33 N ATOM 1770 CA GLU B 93 -2.833 -5.118 9.896 1.00 0.30 C ATOM 1771 C GLU B 93 -4.276 -4.664 9.594 1.00 0.27 C ATOM 1772 O GLU B 93 -5.235 -5.366 9.864 1.00 0.26 O ATOM 1773 CB GLU B 93 -2.238 -4.307 11.060 1.00 0.30 C ATOM 1774 CG GLU B 93 -0.809 -4.788 11.377 1.00 0.37 C ATOM 1775 CD GLU B 93 -0.778 -6.306 11.574 1.00 0.73 C ATOM 1776 OE1 GLU B 93 -1.331 -6.768 12.557 1.00 1.08 O ATOM 1777 OE2 GLU B 93 -0.190 -6.975 10.742 1.00 1.58 O ATOM 0 H GLU B 93 -1.105 -4.295 8.925 1.00 0.33 H new ATOM 0 HA GLU B 93 -2.872 -6.181 10.132 1.00 0.30 H new ATOM 0 HB2 GLU B 93 -2.223 -3.248 10.803 1.00 0.30 H new ATOM 0 HB3 GLU B 93 -2.868 -4.412 11.943 1.00 0.30 H new ATOM 0 HG2 GLU B 93 -0.138 -4.508 10.565 1.00 0.37 H new ATOM 0 HG3 GLU B 93 -0.445 -4.292 12.277 1.00 0.37 H new ATOM 1784 N GLN B 94 -4.423 -3.502 9.005 1.00 0.28 N ATOM 1785 CA GLN B 94 -5.786 -2.989 8.641 1.00 0.28 C ATOM 1786 C GLN B 94 -6.426 -3.915 7.580 1.00 0.28 C ATOM 1787 O GLN B 94 -7.570 -4.315 7.694 1.00 0.27 O ATOM 1788 CB GLN B 94 -5.521 -1.589 8.060 1.00 0.33 C ATOM 1789 CG GLN B 94 -6.432 -0.546 8.731 1.00 0.37 C ATOM 1790 CD GLN B 94 -5.775 0.020 9.999 1.00 0.36 C ATOM 1791 OE1 GLN B 94 -6.425 0.182 11.013 1.00 0.37 O ATOM 1792 NE2 GLN B 94 -4.520 0.358 9.991 1.00 0.39 N ATOM 0 H GLN B 94 -3.653 -2.881 8.758 1.00 0.28 H new ATOM 0 HA GLN B 94 -6.473 -2.958 9.487 1.00 0.28 H new ATOM 0 HB2 GLN B 94 -4.476 -1.318 8.210 1.00 0.33 H new ATOM 0 HB3 GLN B 94 -5.697 -1.596 6.984 1.00 0.33 H new ATOM 0 HG2 GLN B 94 -6.641 0.264 8.032 1.00 0.37 H new ATOM 0 HG3 GLN B 94 -7.389 -1.002 8.985 1.00 0.37 H new ATOM 0 HE21 GLN B 94 -3.962 0.228 9.147 1.00 0.39 H new ATOM 0 HE22 GLN B 94 -4.093 0.753 10.829 1.00 0.39 H new ATOM 1801 N PHE B 95 -5.678 -4.255 6.555 1.00 0.34 N ATOM 1802 CA PHE B 95 -6.198 -5.156 5.466 1.00 0.39 C ATOM 1803 C PHE B 95 -6.646 -6.519 6.034 1.00 0.38 C ATOM 1804 O PHE B 95 -7.710 -7.010 5.698 1.00 0.48 O ATOM 1805 CB PHE B 95 -5.005 -5.302 4.500 1.00 0.50 C ATOM 1806 CG PHE B 95 -5.130 -6.546 3.639 1.00 0.54 C ATOM 1807 CD1 PHE B 95 -6.369 -6.928 3.108 1.00 0.90 C ATOM 1808 CD2 PHE B 95 -3.989 -7.310 3.364 1.00 0.96 C ATOM 1809 CE1 PHE B 95 -6.465 -8.072 2.306 1.00 1.28 C ATOM 1810 CE2 PHE B 95 -4.085 -8.452 2.562 1.00 1.34 C ATOM 1811 CZ PHE B 95 -5.323 -8.833 2.033 1.00 1.41 C ATOM 0 H PHE B 95 -4.716 -3.944 6.422 1.00 0.34 H new ATOM 0 HA PHE B 95 -7.081 -4.751 4.971 1.00 0.39 H new ATOM 0 HB2 PHE B 95 -4.944 -4.421 3.861 1.00 0.50 H new ATOM 0 HB3 PHE B 95 -4.077 -5.346 5.071 1.00 0.50 H new ATOM 0 HD1 PHE B 95 -7.250 -6.340 3.317 1.00 0.90 H new ATOM 0 HD2 PHE B 95 -3.033 -7.017 3.772 1.00 0.96 H new ATOM 0 HE1 PHE B 95 -7.421 -8.367 1.898 1.00 1.28 H new ATOM 0 HE2 PHE B 95 -3.204 -9.040 2.351 1.00 1.34 H new ATOM 0 HZ PHE B 95 -5.397 -9.715 1.414 1.00 1.41 H new ATOM 1821 N ILE B 96 -5.858 -7.130 6.888 1.00 0.35 N ATOM 1822 CA ILE B 96 -6.266 -8.458 7.471 1.00 0.39 C ATOM 1823 C ILE B 96 -7.680 -8.352 8.072 1.00 0.42 C ATOM 1824 O ILE B 96 -8.515 -9.221 7.882 1.00 0.54 O ATOM 1825 CB ILE B 96 -5.209 -8.778 8.547 1.00 0.39 C ATOM 1826 CG1 ILE B 96 -4.284 -9.886 8.039 1.00 0.43 C ATOM 1827 CG2 ILE B 96 -5.876 -9.261 9.839 1.00 0.44 C ATOM 1828 CD1 ILE B 96 -3.271 -9.297 7.057 1.00 0.47 C ATOM 0 H ILE B 96 -4.957 -6.774 7.207 1.00 0.35 H new ATOM 0 HA ILE B 96 -6.307 -9.250 6.723 1.00 0.39 H new ATOM 0 HB ILE B 96 -4.644 -7.868 8.751 1.00 0.39 H new ATOM 0 HG12 ILE B 96 -3.765 -10.353 8.876 1.00 0.43 H new ATOM 0 HG13 ILE B 96 -4.868 -10.666 7.551 1.00 0.43 H new ATOM 0 HG21 ILE B 96 -5.111 -9.481 10.583 1.00 0.44 H new ATOM 0 HG22 ILE B 96 -6.539 -8.484 10.219 1.00 0.44 H new ATOM 0 HG23 ILE B 96 -6.453 -10.163 9.635 1.00 0.44 H new ATOM 0 HD11 ILE B 96 -2.613 -10.087 6.696 1.00 0.47 H new ATOM 0 HD12 ILE B 96 -3.799 -8.851 6.214 1.00 0.47 H new ATOM 0 HD13 ILE B 96 -2.679 -8.533 7.560 1.00 0.47 H new ATOM 1840 N HIS B 97 -7.956 -7.280 8.777 1.00 0.38 N ATOM 1841 CA HIS B 97 -9.318 -7.098 9.371 1.00 0.46 C ATOM 1842 C HIS B 97 -10.359 -6.930 8.251 1.00 0.43 C ATOM 1843 O HIS B 97 -11.455 -7.453 8.330 1.00 0.46 O ATOM 1844 CB HIS B 97 -9.217 -5.832 10.226 1.00 0.51 C ATOM 1845 CG HIS B 97 -10.462 -5.697 11.060 1.00 0.71 C ATOM 1846 ND1 HIS B 97 -11.614 -5.105 10.569 1.00 1.39 N ATOM 1847 CD2 HIS B 97 -10.749 -6.075 12.347 1.00 1.38 C ATOM 1848 CE1 HIS B 97 -12.536 -5.142 11.552 1.00 1.30 C ATOM 1849 NE2 HIS B 97 -12.061 -5.728 12.655 1.00 1.27 N ATOM 0 H HIS B 97 -7.297 -6.524 8.966 1.00 0.38 H new ATOM 0 HA HIS B 97 -9.633 -7.955 9.967 1.00 0.46 H new ATOM 0 HB2 HIS B 97 -8.338 -5.882 10.869 1.00 0.51 H new ATOM 0 HB3 HIS B 97 -9.096 -4.957 9.588 1.00 0.51 H new ATOM 0 HD2 HIS B 97 -10.061 -6.567 13.019 1.00 1.38 H new ATOM 0 HE1 HIS B 97 -13.537 -4.746 11.459 1.00 1.30 H new ATOM 0 HE2 HIS B 97 -12.554 -5.887 13.534 1.00 1.27 H new ATOM 1857 N LEU B 98 -10.017 -6.225 7.197 1.00 0.39 N ATOM 1858 CA LEU B 98 -10.983 -6.058 6.064 1.00 0.37 C ATOM 1859 C LEU B 98 -11.388 -7.441 5.538 1.00 0.41 C ATOM 1860 O LEU B 98 -12.548 -7.695 5.268 1.00 0.46 O ATOM 1861 CB LEU B 98 -10.233 -5.263 4.990 1.00 0.36 C ATOM 1862 CG LEU B 98 -10.921 -3.916 4.776 1.00 0.37 C ATOM 1863 CD1 LEU B 98 -10.827 -3.084 6.053 1.00 0.43 C ATOM 1864 CD2 LEU B 98 -10.223 -3.170 3.641 1.00 0.40 C ATOM 0 H LEU B 98 -9.117 -5.761 7.073 1.00 0.39 H new ATOM 0 HA LEU B 98 -11.894 -5.541 6.365 1.00 0.37 H new ATOM 0 HB2 LEU B 98 -9.197 -5.110 5.293 1.00 0.36 H new ATOM 0 HB3 LEU B 98 -10.212 -5.824 4.056 1.00 0.36 H new ATOM 0 HG LEU B 98 -11.969 -4.080 4.524 1.00 0.37 H new ATOM 0 HD11 LEU B 98 -11.318 -2.123 5.898 1.00 0.43 H new ATOM 0 HD12 LEU B 98 -11.316 -3.615 6.870 1.00 0.43 H new ATOM 0 HD13 LEU B 98 -9.779 -2.919 6.304 1.00 0.43 H new ATOM 0 HD21 LEU B 98 -10.710 -2.208 3.484 1.00 0.40 H new ATOM 0 HD22 LEU B 98 -9.177 -3.009 3.901 1.00 0.40 H new ATOM 0 HD23 LEU B 98 -10.283 -3.760 2.727 1.00 0.40 H new ATOM 1876 N ARG B 99 -10.444 -8.352 5.427 1.00 0.43 N ATOM 1877 CA ARG B 99 -10.801 -9.727 4.958 1.00 0.50 C ATOM 1878 C ARG B 99 -11.784 -10.347 5.962 1.00 0.55 C ATOM 1879 O ARG B 99 -12.835 -10.815 5.586 1.00 0.65 O ATOM 1880 CB ARG B 99 -9.488 -10.529 4.892 1.00 0.59 C ATOM 1881 CG ARG B 99 -9.722 -11.796 4.052 1.00 0.94 C ATOM 1882 CD ARG B 99 -8.532 -12.764 4.179 1.00 1.28 C ATOM 1883 NE ARG B 99 -9.119 -14.120 3.919 1.00 1.79 N ATOM 1884 CZ ARG B 99 -8.481 -15.203 4.236 1.00 2.21 C ATOM 1885 NH1 ARG B 99 -7.224 -15.331 3.963 1.00 3.01 N ATOM 1886 NH2 ARG B 99 -9.116 -16.161 4.819 1.00 2.37 N ATOM 0 H ARG B 99 -9.457 -8.203 5.638 1.00 0.43 H new ATOM 0 HA ARG B 99 -11.279 -9.721 3.978 1.00 0.50 H new ATOM 0 HB2 ARG B 99 -8.698 -9.923 4.449 1.00 0.59 H new ATOM 0 HB3 ARG B 99 -9.159 -10.797 5.896 1.00 0.59 H new ATOM 0 HG2 ARG B 99 -10.636 -12.291 4.380 1.00 0.94 H new ATOM 0 HG3 ARG B 99 -9.865 -11.523 3.006 1.00 0.94 H new ATOM 0 HD2 ARG B 99 -7.749 -12.526 3.459 1.00 1.28 H new ATOM 0 HD3 ARG B 99 -8.081 -12.710 5.170 1.00 1.28 H new ATOM 0 HE ARG B 99 -10.039 -14.191 3.484 1.00 1.79 H new ATOM 0 HH11 ARG B 99 -6.725 -14.576 3.494 1.00 3.01 H new ATOM 0 HH12 ARG B 99 -6.732 -16.187 4.217 1.00 3.01 H new ATOM 0 HH21 ARG B 99 -10.110 -16.062 5.026 1.00 2.37 H new ATOM 0 HH22 ARG B 99 -8.625 -17.018 5.073 1.00 2.37 H new ATOM 1900 N ALA B 100 -11.469 -10.313 7.241 1.00 0.53 N ATOM 1901 CA ALA B 100 -12.414 -10.872 8.268 1.00 0.63 C ATOM 1902 C ALA B 100 -13.805 -10.238 8.105 1.00 0.60 C ATOM 1903 O ALA B 100 -14.814 -10.906 8.197 1.00 0.67 O ATOM 1904 CB ALA B 100 -11.808 -10.503 9.627 1.00 0.69 C ATOM 0 H ALA B 100 -10.603 -9.925 7.616 1.00 0.53 H new ATOM 0 HA ALA B 100 -12.539 -11.950 8.166 1.00 0.63 H new ATOM 0 HB1 ALA B 100 -12.447 -10.881 10.425 1.00 0.69 H new ATOM 0 HB2 ALA B 100 -10.816 -10.947 9.716 1.00 0.69 H new ATOM 0 HB3 ALA B 100 -11.729 -9.419 9.708 1.00 0.69 H new ATOM 1910 N VAL B 101 -13.865 -8.955 7.841 1.00 0.53 N ATOM 1911 CA VAL B 101 -15.194 -8.289 7.641 1.00 0.56 C ATOM 1912 C VAL B 101 -15.833 -8.817 6.351 1.00 0.58 C ATOM 1913 O VAL B 101 -17.020 -9.079 6.295 1.00 0.72 O ATOM 1914 CB VAL B 101 -14.881 -6.792 7.537 1.00 0.61 C ATOM 1915 CG1 VAL B 101 -16.109 -6.035 7.027 1.00 1.63 C ATOM 1916 CG2 VAL B 101 -14.510 -6.262 8.924 1.00 0.91 C ATOM 0 H VAL B 101 -13.055 -8.341 7.755 1.00 0.53 H new ATOM 0 HA VAL B 101 -15.897 -8.485 8.451 1.00 0.56 H new ATOM 0 HB VAL B 101 -14.053 -6.645 6.843 1.00 0.61 H new ATOM 0 HG11 VAL B 101 -15.878 -4.972 6.956 1.00 1.63 H new ATOM 0 HG12 VAL B 101 -16.386 -6.412 6.043 1.00 1.63 H new ATOM 0 HG13 VAL B 101 -16.939 -6.180 7.718 1.00 1.63 H new ATOM 0 HG21 VAL B 101 -14.286 -5.197 8.859 1.00 0.91 H new ATOM 0 HG22 VAL B 101 -15.345 -6.416 9.608 1.00 0.91 H new ATOM 0 HG23 VAL B 101 -13.635 -6.795 9.295 1.00 0.91 H new ATOM 1926 N SER B 102 -15.047 -9.011 5.322 1.00 0.64 N ATOM 1927 CA SER B 102 -15.605 -9.565 4.049 1.00 0.81 C ATOM 1928 C SER B 102 -15.923 -11.054 4.244 1.00 0.92 C ATOM 1929 O SER B 102 -16.869 -11.571 3.690 1.00 1.08 O ATOM 1930 CB SER B 102 -14.511 -9.376 2.996 1.00 0.90 C ATOM 1931 OG SER B 102 -15.019 -9.740 1.711 1.00 1.58 O ATOM 0 H SER B 102 -14.047 -8.811 5.307 1.00 0.64 H new ATOM 0 HA SER B 102 -16.526 -9.067 3.746 1.00 0.81 H new ATOM 0 HB2 SER B 102 -14.176 -8.339 2.986 1.00 0.90 H new ATOM 0 HB3 SER B 102 -13.644 -9.989 3.243 1.00 0.90 H new ATOM 0 HG SER B 102 -14.319 -9.618 1.036 1.00 1.58 H new ATOM 1937 N GLU B 103 -15.146 -11.732 5.049 1.00 0.89 N ATOM 1938 CA GLU B 103 -15.397 -13.183 5.317 1.00 1.08 C ATOM 1939 C GLU B 103 -16.338 -13.343 6.515 1.00 1.26 C ATOM 1940 O GLU B 103 -16.186 -14.237 7.327 1.00 1.68 O ATOM 1941 CB GLU B 103 -14.021 -13.761 5.641 1.00 1.01 C ATOM 1942 CG GLU B 103 -13.705 -14.883 4.655 1.00 1.25 C ATOM 1943 CD GLU B 103 -12.207 -14.927 4.392 1.00 1.49 C ATOM 1944 OE1 GLU B 103 -11.509 -15.527 5.187 1.00 2.12 O ATOM 1945 OE2 GLU B 103 -11.775 -14.366 3.399 1.00 2.06 O ATOM 0 H GLU B 103 -14.341 -11.340 5.537 1.00 0.89 H new ATOM 0 HA GLU B 103 -15.868 -13.687 4.473 1.00 1.08 H new ATOM 0 HB2 GLU B 103 -13.262 -12.981 5.579 1.00 1.01 H new ATOM 0 HB3 GLU B 103 -14.004 -14.142 6.662 1.00 1.01 H new ATOM 0 HG2 GLU B 103 -14.042 -15.839 5.057 1.00 1.25 H new ATOM 0 HG3 GLU B 103 -14.243 -14.722 3.721 1.00 1.25 H new ATOM 1952 N ALA B 104 -17.300 -12.476 6.641 1.00 1.06 N ATOM 1953 CA ALA B 104 -18.236 -12.568 7.794 1.00 1.26 C ATOM 1954 C ALA B 104 -19.677 -12.206 7.393 1.00 1.56 C ATOM 1955 O ALA B 104 -20.621 -12.673 7.997 1.00 1.91 O ATOM 1956 CB ALA B 104 -17.680 -11.555 8.793 1.00 1.04 C ATOM 0 H ALA B 104 -17.479 -11.707 5.996 1.00 1.06 H new ATOM 0 HA ALA B 104 -18.296 -13.579 8.196 1.00 1.26 H new ATOM 0 HB1 ALA B 104 -18.304 -11.545 9.687 1.00 1.04 H new ATOM 0 HB2 ALA B 104 -16.662 -11.833 9.065 1.00 1.04 H new ATOM 0 HB3 ALA B 104 -17.677 -10.563 8.342 1.00 1.04 H new ATOM 1962 N THR B 105 -19.847 -11.370 6.397 1.00 1.67 N ATOM 1963 CA THR B 105 -21.225 -10.961 5.968 1.00 2.12 C ATOM 1964 C THR B 105 -21.473 -11.337 4.501 1.00 2.39 C ATOM 1965 O THR B 105 -22.494 -11.951 4.237 1.00 2.93 O ATOM 1966 CB THR B 105 -21.266 -9.431 6.147 1.00 2.54 C ATOM 1967 OG1 THR B 105 -20.570 -9.048 7.329 1.00 2.95 O ATOM 1968 CG2 THR B 105 -22.712 -8.963 6.262 1.00 3.01 C ATOM 0 H THR B 105 -19.088 -10.951 5.860 1.00 1.67 H new ATOM 0 HA THR B 105 -21.996 -11.463 6.553 1.00 2.12 H new ATOM 0 HB THR B 105 -20.790 -8.973 5.280 1.00 2.54 H new ATOM 0 HG1 THR B 105 -20.604 -8.074 7.427 1.00 2.95 H new ATOM 0 HG21 THR B 105 -22.735 -7.881 6.388 1.00 3.01 H new ATOM 0 HG22 THR B 105 -23.255 -9.234 5.357 1.00 3.01 H new ATOM 0 HG23 THR B 105 -23.181 -9.439 7.123 1.00 3.01 H new TER 1976 THR B 105 END