USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) HEADER TRANSFERASE 22-MAY-02 1LUN TITLE NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287TRANS, ENERGY TITLE 2 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SRC HOMOLOGY 2 (SH2) DOMAIN (RESIDUES 238-344); COMPND 5 SYNONYM: INTERLEUKIN-2 TYROSINE KINASE, T-CELL-SPECIFIC COMPND 6 KINASE, IL-2-INDUCIBLE T-CELL KINASE, KINASE EMT, KINASE COMPND 7 TLK; COMPND 8 EC: 2.7.1.112; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX KEYWDS CIS/TRANS ISOMERIZATION, INTERLEUKIN-2 TYROSINE KINASE, ITK, KEYWDS 2 T-CELL SPECIFIC KINASE, TSK, SRC HOMOLOGY 2, SH2, PROLINE, KEYWDS 3 TRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR R.J.MALLIS,K.N.BRAZIN,D.B.FULTON,A.H.ANDREOTTI REVDAT 2 24-FEB-09 1LUN 1 VERSN REVDAT 1 27-NOV-02 1LUN 0 JRNL AUTH R.J.MALLIS,K.N.BRAZIN,D.B.FULTON,A.H.ANDREOTTI JRNL TITL STRUCTURAL CHARACTERIZATION OF A PROLINE-DRIVEN JRNL TITL 2 CONFORMATIONAL SWITCH WITHIN THE ITK SH2 DOMAIN JRNL REF NAT.STRUCT.BIOL. V. 9 900 2002 JRNL REFN ISSN 1072-8368 JRNL PMID 12402030 JRNL DOI 10.1038/NSB864 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 2323 NOE REMARK 3 -DERIVED DISTANCE CONSTRAINTS, 58 PHI/PSI DIHEDRAL ANGLE REMARK 3 RESTRAINTS,9 CHI DIHEDRAL ANGLE RESTRAINTS AND 30 DISTANCE REMARK 3 RESTRAINTS FROM HYDROGEN BONDS REMARK 4 REMARK 4 1LUN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-JUN-02. REMARK 100 THE RCSB ID CODE IS RCSB016287. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 125MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM ITK SH2, U-15N,13C, REMARK 210 125MM PHOSPHATE BUFFER, PH REMARK 210 7.4; 1 MM ITK SH2, U-15N, REMARK 210 125MM PHOSPHATE BUFFER, PH REMARK 210 7.4; 1 MM ITK SH2, 125MM REMARK 210 PHOSPHATE BUFFER, PH 7.4 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, DQF-COSY, REMARK 210 2D NOESY, 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, NMRPIPE, NMRVIEW REMARK 210 4.1.3 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 O PHE A 34 N VAL A 109 2.00 REMARK 500 OG1 THR A 44 O ILE A 66 2.04 REMARK 500 O THR A 69 N ASP A 71 2.07 REMARK 500 O LEU A 6 N THR A 8 2.13 REMARK 500 N THR A 69 O ARG A 75 2.14 REMARK 500 O ILE A 87 N ILE A 91 2.15 REMARK 500 N VAL A 47 O TYR A 64 2.16 REMARK 500 N LYS A 67 O TYR A 77 2.17 REMARK 500 O HIS A 94 O ARG A 104 2.17 REMARK 500 O GLU A 10 O VAL A 109 2.17 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 ASN A 5 139.76 -21.25 REMARK 500 GLU A 7 74.00 -18.44 REMARK 500 THR A 8 -11.62 176.57 REMARK 500 SER A 15 1.78 54.92 REMARK 500 SER A 39 -110.25 -117.81 REMARK 500 ARG A 40 -21.83 -174.92 REMARK 500 THR A 41 -161.59 -46.17 REMARK 500 PRO A 42 -1.11 -41.85 REMARK 500 ALA A 53 166.90 150.81 REMARK 500 ILE A 54 -98.92 -175.02 REMARK 500 ILE A 55 -110.81 23.71 REMARK 500 GLU A 57 170.86 119.23 REMARK 500 ASN A 58 -25.38 138.22 REMARK 500 ASN A 70 68.35 -40.33 REMARK 500 ASP A 71 -152.42 -90.87 REMARK 500 LYS A 74 79.85 4.81 REMARK 500 ALA A 79 43.09 163.62 REMARK 500 GLU A 80 29.05 36.03 REMARK 500 LYS A 81 -169.55 -123.69 REMARK 500 TYR A 82 108.85 -12.73 REMARK 500 SER A 86 143.24 -175.28 REMARK 500 TYR A 96 -108.94 -105.01 REMARK 500 ASN A 97 -116.28 -2.22 REMARK 500 LEU A 101 151.39 51.22 REMARK 500 VAL A 102 -45.09 -20.46 REMARK 500 THR A 103 46.78 -169.92 REMARK 500 LEU A 105 85.48 42.20 REMARK 500 TYR A 107 93.29 -165.23 REMARK 500 PRO A 108 109.58 -52.99 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 112 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LUI RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287CIS, 20 LOW REMARK 900 ENERGY STRUCTURES REMARK 900 RELATED ID: 1LUK RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287CIS, ENERGY REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1LUM RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287TRANS, 20 LOW REMARK 900 ENERGY STRUCTURES DBREF 1LUN A 4 110 UNP Q03526 ITK_MOUSE 238 344 SEQADV 1LUN GLY A 111 UNP Q03526 CLONING ARTIFACT SEQRES 1 A 110 ACE ASN ASN LEU GLU THR TYR GLU TRP TYR ASN LYS SER SEQRES 2 A 110 ILE SER ARG ASP LYS ALA GLU LYS LEU LEU LEU ASP THR SEQRES 3 A 110 GLY LYS GLU GLY ALA PHE MET VAL ARG ASP SER ARG THR SEQRES 4 A 110 PRO GLY THR TYR THR VAL SER VAL PHE THR LYS ALA ILE SEQRES 5 A 110 ILE SER GLU ASN PRO CYS ILE LYS HIS TYR HIS ILE LYS SEQRES 6 A 110 GLU THR ASN ASP SER PRO LYS ARG TYR TYR VAL ALA GLU SEQRES 7 A 110 LYS TYR VAL PHE ASP SER ILE PRO LEU LEU ILE GLN TYR SEQRES 8 A 110 HIS GLN TYR ASN GLY GLY GLY LEU VAL THR ARG LEU ARG SEQRES 9 A 110 TYR PRO VAL CYS GLY NH2 HET ACE A 3 6 HET NH2 A 112 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 NH2 H2 N HELIX 1 1 SER A 17 GLY A 29 1 13 HELIX 2 2 SER A 86 TYR A 96 1 11 SHEET 1 A 4 ILE A 61 HIS A 65 0 SHEET 2 A 4 TYR A 45 PHE A 50 -1 N VAL A 47 O TYR A 64 SHEET 3 A 4 ALA A 33 ASP A 38 -1 N ARG A 37 O THR A 46 SHEET 4 A 4 TYR A 107 PRO A 108 1 O TYR A 107 N PHE A 34 SHEET 1 B 2 LYS A 67 GLU A 68 0 SHEET 2 B 2 TYR A 76 TYR A 77 -1 O TYR A 77 N LYS A 67 LINK C ACE A 3 N ASN A 4 1555 1555 1.33 LINK C GLY A 111 N NH2 A 112 1555 1555 1.33 CISPEP 1 SER A 72 PRO A 73 0 -0.06 SITE *** AC2 1 GLY A 111 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ -131:sc= -4.45! (180deg=-6.03!) USER MOD Set 1.2: A 93 TYR OH : rot -151:sc= -8.7! USER MOD Set 1.3: A 94 HIS :FLIP no HE2:sc= -28.8! C(o=-54!,f=-42!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 147:sc= 0.247! (180deg=-2.42!) USER MOD Set 2.2: A 64 TYR OH : rot -92:sc= -5.61! USER MOD Set 3.1: A 39 SER OG : rot 130:sc= -0.67! USER MOD Set 3.2: A 44 THR OG1 : rot -171:sc= -2.95! USER MOD Set 3.3: A 46 THR OG1 : rot 60:sc= -4.17! USER MOD Set 3.4: A 65 HIS : no HE2:sc= -24.2! C(o=-32!,f=-45!) USER MOD Set 4.1: A 13 ASN :FLIP amide:sc= -16.1! C(o=-57!,f=-48!) USER MOD Set 4.2: A 35 MET CE :methyl 180:sc= -32.1! (180deg=-27.1!) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.036 F(o=-1.3,f=-0.036) USER MOD Single : A 5 ASN : amide:sc= 0.294 K(o=0.29,f=-2!) USER MOD Single : A 8 THR OG1 : rot -18:sc= 0.402 USER MOD Single : A 9 TYR OH : rot 170:sc= -1.04 USER MOD Single : A 12 TYR OH : rot 58:sc= -2.46! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -0.0541 (180deg=-0.292) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 149:sc= -4.07! USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= -10.9! (180deg=-16.4!) USER MOD Single : A 41 THR OG1 : rot -171:sc= -8.19! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 109:sc= -6.66! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.943! (180deg=-2.05!) USER MOD Single : A 56 SER OG : rot 66:sc= 0.799 USER MOD Single : A 58 ASN :FLIP amide:sc= -7.67! C(o=-8.5!,f=-7.7!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -50:sc= 0.773 USER MOD Single : A 70 ASN : amide:sc= -0.891! C(o=-0.89!,f=-0.53!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -66:sc= 0.0529 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.88! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 32:sc= 1.34 USER MOD Single : A 92 GLN :FLIP amide:sc= -2.39! C(o=-6.2!,f=-2.4!) USER MOD Single : A 95 GLN :FLIP amide:sc= -3.56 F(o=-11!,f=-3.6) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 103 THR OG1 : rot 55:sc= -4.02! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -47:sc= 0.541 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.013 10.164 7.074 1.00 2.32 C HETATM 2 O ACE A 3 -12.902 9.764 8.233 1.00 2.69 O HETATM 3 CH3 ACE A 3 -13.688 11.477 6.770 1.00 2.81 C HETATM 0 H1 ACE A 3 -12.985 12.139 6.264 1.00 2.81 H new HETATM 0 H2 ACE A 3 -14.550 11.303 6.126 1.00 2.81 H new HETATM 0 H3 ACE A 3 -14.018 11.940 7.700 1.00 2.81 H new ATOM 7 N ASN A 4 -12.558 9.483 6.027 1.00 1.97 N ATOM 8 CA ASN A 4 -11.887 8.198 6.184 1.00 1.70 C ATOM 9 C ASN A 4 -10.374 8.360 6.077 1.00 1.39 C ATOM 10 O ASN A 4 -9.620 7.418 6.324 1.00 2.11 O ATOM 11 CB ASN A 4 -12.382 7.209 5.127 1.00 1.90 C ATOM 12 CG ASN A 4 -13.894 7.095 5.107 1.00 2.40 C ATOM 13 OD1 ASN A 4 -14.528 7.438 6.223 1.00 3.09 O flip ATOM 14 ND2 ASN A 4 -14.485 6.703 4.101 1.00 2.80 N flip ATOM 0 H ASN A 4 -12.642 9.800 5.061 1.00 1.97 H new ATOM 0 HA ASN A 4 -12.124 7.809 7.174 1.00 1.70 H new ATOM 0 HB2 ASN A 4 -12.031 7.525 4.145 1.00 1.90 H new ATOM 0 HB3 ASN A 4 -11.949 6.228 5.320 1.00 1.90 H new ATOM 0 HD21 ASN A 4 -13.957 6.450 3.266 1.00 2.80 H new ATOM 0 HD22 ASN A 4 -15.502 6.631 4.103 1.00 2.80 H new ATOM 21 N ASN A 5 -9.938 9.559 5.707 1.00 1.13 N ATOM 22 CA ASN A 5 -8.515 9.844 5.568 1.00 1.11 C ATOM 23 C ASN A 5 -7.682 8.848 6.368 1.00 1.06 C ATOM 24 O ASN A 5 -8.041 8.480 7.486 1.00 1.79 O ATOM 25 CB ASN A 5 -8.210 11.269 6.033 1.00 1.57 C ATOM 26 CG ASN A 5 -9.410 11.936 6.676 1.00 2.00 C ATOM 27 OD1 ASN A 5 -10.361 12.320 5.994 1.00 2.45 O ATOM 28 ND2 ASN A 5 -9.373 12.078 7.996 1.00 2.67 N ATOM 0 H ASN A 5 -10.549 10.349 5.498 1.00 1.13 H new ATOM 0 HA ASN A 5 -8.252 9.749 4.514 1.00 1.11 H new ATOM 0 HB2 ASN A 5 -7.385 11.247 6.745 1.00 1.57 H new ATOM 0 HB3 ASN A 5 -7.880 11.864 5.181 1.00 1.57 H new ATOM 0 HD21 ASN A 5 -10.153 12.520 8.483 1.00 2.67 H new ATOM 0 HD22 ASN A 5 -8.565 11.745 8.522 1.00 2.67 H new ATOM 35 N LEU A 6 -6.567 8.417 5.787 1.00 0.63 N ATOM 36 CA LEU A 6 -5.682 7.464 6.446 1.00 0.55 C ATOM 37 C LEU A 6 -4.533 8.179 7.139 1.00 0.72 C ATOM 38 O LEU A 6 -4.050 7.736 8.176 1.00 1.42 O ATOM 39 CB LEU A 6 -5.128 6.463 5.434 1.00 0.67 C ATOM 40 CG LEU A 6 -5.941 6.315 4.150 1.00 0.42 C ATOM 41 CD1 LEU A 6 -5.061 5.772 3.037 1.00 0.48 C ATOM 42 CD2 LEU A 6 -7.140 5.408 4.379 1.00 0.41 C ATOM 0 H LEU A 6 -6.255 8.712 4.862 1.00 0.63 H new ATOM 0 HA LEU A 6 -6.265 6.930 7.197 1.00 0.55 H new ATOM 0 HB2 LEU A 6 -4.114 6.762 5.170 1.00 0.67 H new ATOM 0 HB3 LEU A 6 -5.058 5.487 5.914 1.00 0.67 H new ATOM 0 HG LEU A 6 -6.311 7.296 3.854 1.00 0.42 H new ATOM 0 HD11 LEU A 6 -5.649 5.670 2.125 1.00 0.48 H new ATOM 0 HD12 LEU A 6 -4.233 6.459 2.860 1.00 0.48 H new ATOM 0 HD13 LEU A 6 -4.668 4.797 3.327 1.00 0.48 H new ATOM 0 HD21 LEU A 6 -7.707 5.314 3.453 1.00 0.41 H new ATOM 0 HD22 LEU A 6 -6.796 4.423 4.695 1.00 0.41 H new ATOM 0 HD23 LEU A 6 -7.777 5.836 5.153 1.00 0.41 H new ATOM 54 N GLU A 7 -4.097 9.282 6.550 1.00 0.54 N ATOM 55 CA GLU A 7 -3.002 10.065 7.091 1.00 0.70 C ATOM 56 C GLU A 7 -2.767 9.736 8.553 1.00 0.79 C ATOM 57 O GLU A 7 -3.096 10.514 9.449 1.00 1.52 O ATOM 58 CB GLU A 7 -3.276 11.560 6.921 1.00 0.89 C ATOM 59 CG GLU A 7 -4.755 11.910 6.943 1.00 0.96 C ATOM 60 CD GLU A 7 -5.027 13.332 6.491 1.00 1.31 C ATOM 61 OE1 GLU A 7 -4.433 14.263 7.073 1.00 1.96 O ATOM 62 OE2 GLU A 7 -5.833 13.513 5.554 1.00 1.77 O ATOM 0 H GLU A 7 -4.492 9.656 5.687 1.00 0.54 H new ATOM 0 HA GLU A 7 -2.100 9.809 6.535 1.00 0.70 H new ATOM 0 HB2 GLU A 7 -2.769 12.107 7.716 1.00 0.89 H new ATOM 0 HB3 GLU A 7 -2.845 11.896 5.978 1.00 0.89 H new ATOM 0 HG2 GLU A 7 -5.297 11.218 6.298 1.00 0.96 H new ATOM 0 HG3 GLU A 7 -5.141 11.774 7.953 1.00 0.96 H new ATOM 69 N THR A 8 -2.188 8.573 8.769 1.00 0.53 N ATOM 70 CA THR A 8 -1.881 8.101 10.117 1.00 0.62 C ATOM 71 C THR A 8 -1.286 6.686 10.119 1.00 0.52 C ATOM 72 O THR A 8 -0.778 6.230 11.144 1.00 0.66 O ATOM 73 CB THR A 8 -3.137 8.151 10.990 1.00 0.73 C ATOM 74 OG1 THR A 8 -2.881 7.605 12.272 1.00 1.27 O ATOM 75 CG2 THR A 8 -4.317 7.408 10.403 1.00 0.98 C ATOM 0 H THR A 8 -1.916 7.928 8.027 1.00 0.53 H new ATOM 0 HA THR A 8 -1.124 8.767 10.530 1.00 0.62 H new ATOM 0 HB THR A 8 -3.395 9.208 11.052 1.00 0.73 H new ATOM 0 HG1 THR A 8 -2.064 7.065 12.240 1.00 1.27 H new ATOM 0 HG21 THR A 8 -5.169 7.488 11.078 1.00 0.98 H new ATOM 0 HG22 THR A 8 -4.576 7.842 9.437 1.00 0.98 H new ATOM 0 HG23 THR A 8 -4.056 6.358 10.271 1.00 0.98 H new ATOM 83 N TYR A 9 -1.345 5.991 8.981 1.00 0.35 N ATOM 84 CA TYR A 9 -0.806 4.640 8.886 1.00 0.26 C ATOM 85 C TYR A 9 0.662 4.654 8.514 1.00 0.25 C ATOM 86 O TYR A 9 1.059 5.290 7.537 1.00 0.32 O ATOM 87 CB TYR A 9 -1.578 3.842 7.848 1.00 0.24 C ATOM 88 CG TYR A 9 -3.043 3.805 8.170 1.00 0.24 C ATOM 89 CD1 TYR A 9 -3.537 2.870 9.062 1.00 1.06 C ATOM 90 CD2 TYR A 9 -3.928 4.724 7.613 1.00 1.07 C ATOM 91 CE1 TYR A 9 -4.871 2.840 9.396 1.00 1.08 C ATOM 92 CE2 TYR A 9 -5.270 4.695 7.941 1.00 1.06 C ATOM 93 CZ TYR A 9 -5.736 3.753 8.833 1.00 0.30 C ATOM 94 OH TYR A 9 -7.071 3.727 9.166 1.00 0.35 O ATOM 0 H TYR A 9 -1.759 6.343 8.118 1.00 0.35 H new ATOM 0 HA TYR A 9 -0.910 4.174 9.866 1.00 0.26 H new ATOM 0 HB2 TYR A 9 -1.431 4.284 6.863 1.00 0.24 H new ATOM 0 HB3 TYR A 9 -1.187 2.825 7.803 1.00 0.24 H new ATOM 0 HD1 TYR A 9 -2.863 2.151 9.504 1.00 1.06 H new ATOM 0 HD2 TYR A 9 -3.563 5.466 6.919 1.00 1.07 H new ATOM 0 HE1 TYR A 9 -5.239 2.104 10.096 1.00 1.08 H new ATOM 0 HE2 TYR A 9 -5.951 5.408 7.500 1.00 1.06 H new ATOM 0 HH TYR A 9 -7.512 4.528 8.812 1.00 0.35 H new ATOM 104 N GLU A 10 1.465 3.932 9.277 1.00 0.26 N ATOM 105 CA GLU A 10 2.882 3.857 8.990 1.00 0.30 C ATOM 106 C GLU A 10 3.075 3.724 7.493 1.00 0.30 C ATOM 107 O GLU A 10 4.122 4.072 6.954 1.00 0.45 O ATOM 108 CB GLU A 10 3.513 2.653 9.683 1.00 0.34 C ATOM 109 CG GLU A 10 2.491 1.657 10.172 1.00 1.15 C ATOM 110 CD GLU A 10 3.105 0.540 10.993 1.00 1.38 C ATOM 111 OE1 GLU A 10 4.276 0.680 11.404 1.00 1.74 O ATOM 112 OE2 GLU A 10 2.414 -0.474 11.224 1.00 1.97 O ATOM 0 H GLU A 10 1.162 3.396 10.090 1.00 0.26 H new ATOM 0 HA GLU A 10 3.363 4.763 9.358 1.00 0.30 H new ATOM 0 HB2 GLU A 10 4.194 2.157 8.991 1.00 0.34 H new ATOM 0 HB3 GLU A 10 4.110 2.997 10.527 1.00 0.34 H new ATOM 0 HG2 GLU A 10 1.744 2.175 10.773 1.00 1.15 H new ATOM 0 HG3 GLU A 10 1.970 1.228 9.316 1.00 1.15 H new ATOM 119 N TRP A 11 2.053 3.185 6.832 1.00 0.22 N ATOM 120 CA TRP A 11 2.101 2.960 5.402 1.00 0.21 C ATOM 121 C TRP A 11 1.619 4.153 4.581 1.00 0.21 C ATOM 122 O TRP A 11 2.025 4.312 3.431 1.00 0.23 O ATOM 123 CB TRP A 11 1.262 1.740 5.051 1.00 0.21 C ATOM 124 CG TRP A 11 -0.041 1.627 5.809 1.00 0.21 C ATOM 125 CD1 TRP A 11 -0.282 0.916 6.956 1.00 0.22 C ATOM 126 CD2 TRP A 11 -1.296 2.207 5.436 1.00 0.20 C ATOM 127 NE1 TRP A 11 -1.610 1.018 7.305 1.00 0.23 N ATOM 128 CE2 TRP A 11 -2.249 1.807 6.389 1.00 0.21 C ATOM 129 CE3 TRP A 11 -1.704 3.027 4.389 1.00 0.20 C ATOM 130 CZ2 TRP A 11 -3.584 2.197 6.315 1.00 0.22 C ATOM 131 CZ3 TRP A 11 -3.025 3.415 4.317 1.00 0.21 C ATOM 132 CH2 TRP A 11 -3.954 2.998 5.274 1.00 0.22 C ATOM 0 H TRP A 11 1.180 2.897 7.273 1.00 0.22 H new ATOM 0 HA TRP A 11 3.149 2.803 5.147 1.00 0.21 H new ATOM 0 HB2 TRP A 11 1.044 1.761 3.983 1.00 0.21 H new ATOM 0 HB3 TRP A 11 1.854 0.844 5.238 1.00 0.21 H new ATOM 0 HD1 TRP A 11 0.461 0.357 7.506 1.00 0.22 H new ATOM 0 HE1 TRP A 11 -2.046 0.577 8.115 1.00 0.23 H new ATOM 0 HE3 TRP A 11 -0.996 3.355 3.643 1.00 0.20 H new ATOM 0 HZ2 TRP A 11 -4.302 1.877 7.056 1.00 0.22 H new ATOM 0 HZ3 TRP A 11 -3.347 4.052 3.507 1.00 0.21 H new ATOM 0 HH2 TRP A 11 -4.983 3.315 5.188 1.00 0.22 H new ATOM 143 N TYR A 12 0.733 4.968 5.136 1.00 0.22 N ATOM 144 CA TYR A 12 0.205 6.100 4.383 1.00 0.23 C ATOM 145 C TYR A 12 1.191 7.248 4.257 1.00 0.23 C ATOM 146 O TYR A 12 1.836 7.655 5.223 1.00 0.28 O ATOM 147 CB TYR A 12 -1.097 6.619 4.982 1.00 0.26 C ATOM 148 CG TYR A 12 -1.893 7.442 3.994 1.00 0.30 C ATOM 149 CD1 TYR A 12 -2.423 6.857 2.852 1.00 0.94 C ATOM 150 CD2 TYR A 12 -2.107 8.800 4.193 1.00 1.04 C ATOM 151 CE1 TYR A 12 -3.144 7.599 1.938 1.00 0.96 C ATOM 152 CE2 TYR A 12 -2.829 9.550 3.284 1.00 1.10 C ATOM 153 CZ TYR A 12 -3.346 8.944 2.159 1.00 0.49 C ATOM 154 OH TYR A 12 -4.066 9.687 1.251 1.00 0.60 O ATOM 0 H TYR A 12 0.370 4.872 6.084 1.00 0.22 H new ATOM 0 HA TYR A 12 0.015 5.712 3.382 1.00 0.23 H new ATOM 0 HB2 TYR A 12 -1.701 5.777 5.320 1.00 0.26 H new ATOM 0 HB3 TYR A 12 -0.875 7.225 5.861 1.00 0.26 H new ATOM 0 HD1 TYR A 12 -2.269 5.803 2.676 1.00 0.94 H new ATOM 0 HD2 TYR A 12 -1.702 9.278 5.073 1.00 1.04 H new ATOM 0 HE1 TYR A 12 -3.548 7.128 1.054 1.00 0.96 H new ATOM 0 HE2 TYR A 12 -2.987 10.605 3.454 1.00 1.10 H new ATOM 0 HH TYR A 12 -4.962 9.303 1.151 1.00 0.60 H new ATOM 164 N ASN A 13 1.266 7.779 3.042 1.00 0.23 N ATOM 165 CA ASN A 13 2.131 8.909 2.734 1.00 0.26 C ATOM 166 C ASN A 13 1.406 9.880 1.807 1.00 0.27 C ATOM 167 O ASN A 13 1.357 9.679 0.595 1.00 0.33 O ATOM 168 CB ASN A 13 3.436 8.435 2.097 1.00 0.33 C ATOM 169 CG ASN A 13 4.579 8.425 3.093 1.00 0.82 C ATOM 170 OD1 ASN A 13 5.614 7.648 2.805 1.00 1.65 O flip ATOM 171 ND2 ASN A 13 4.531 9.112 4.114 1.00 0.94 N flip ATOM 0 H ASN A 13 0.729 7.438 2.244 1.00 0.23 H new ATOM 0 HA ASN A 13 2.377 9.423 3.663 1.00 0.26 H new ATOM 0 HB2 ASN A 13 3.299 7.433 1.691 1.00 0.33 H new ATOM 0 HB3 ASN A 13 3.689 9.086 1.260 1.00 0.33 H new ATOM 0 HD21 ASN A 13 3.715 9.696 4.298 1.00 0.94 H new ATOM 0 HD22 ASN A 13 5.307 9.097 4.776 1.00 0.94 H new ATOM 178 N LYS A 14 0.823 10.922 2.391 1.00 0.40 N ATOM 179 CA LYS A 14 0.076 11.913 1.624 1.00 0.46 C ATOM 180 C LYS A 14 0.966 12.657 0.631 1.00 0.66 C ATOM 181 O LYS A 14 2.179 12.760 0.816 1.00 1.44 O ATOM 182 CB LYS A 14 -0.594 12.917 2.563 1.00 0.59 C ATOM 183 CG LYS A 14 0.368 13.934 3.154 1.00 1.03 C ATOM 184 CD LYS A 14 0.723 13.596 4.592 1.00 1.50 C ATOM 185 CE LYS A 14 -0.496 13.664 5.498 1.00 1.93 C ATOM 186 NZ LYS A 14 -0.369 14.737 6.522 1.00 2.78 N ATOM 0 H LYS A 14 0.854 11.102 3.394 1.00 0.40 H new ATOM 0 HA LYS A 14 -0.684 11.375 1.057 1.00 0.46 H new ATOM 0 HB2 LYS A 14 -1.377 13.444 2.018 1.00 0.59 H new ATOM 0 HB3 LYS A 14 -1.080 12.375 3.374 1.00 0.59 H new ATOM 0 HG2 LYS A 14 1.276 13.969 2.553 1.00 1.03 H new ATOM 0 HG3 LYS A 14 -0.080 14.927 3.113 1.00 1.03 H new ATOM 0 HD2 LYS A 14 1.155 12.596 4.636 1.00 1.50 H new ATOM 0 HD3 LYS A 14 1.484 14.288 4.952 1.00 1.50 H new ATOM 0 HE2 LYS A 14 -1.387 13.841 4.895 1.00 1.93 H new ATOM 0 HE3 LYS A 14 -0.633 12.703 5.994 1.00 1.93 H new ATOM 0 HZ1 LYS A 14 -1.221 14.750 7.119 1.00 2.78 H new ATOM 0 HZ2 LYS A 14 0.466 14.555 7.114 1.00 2.78 H new ATOM 0 HZ3 LYS A 14 -0.264 15.657 6.049 1.00 2.78 H new ATOM 200 N SER A 15 0.340 13.186 -0.418 1.00 0.79 N ATOM 201 CA SER A 15 1.044 13.943 -1.453 1.00 0.92 C ATOM 202 C SER A 15 2.198 13.150 -2.065 1.00 0.74 C ATOM 203 O SER A 15 2.919 13.659 -2.923 1.00 0.72 O ATOM 204 CB SER A 15 1.570 15.259 -0.875 1.00 1.20 C ATOM 205 OG SER A 15 1.537 16.292 -1.844 1.00 1.84 O ATOM 0 H SER A 15 -0.664 13.103 -0.575 1.00 0.79 H new ATOM 0 HA SER A 15 0.327 14.148 -2.248 1.00 0.92 H new ATOM 0 HB2 SER A 15 0.969 15.546 -0.012 1.00 1.20 H new ATOM 0 HB3 SER A 15 2.592 15.121 -0.521 1.00 1.20 H new ATOM 0 HG SER A 15 1.877 17.122 -1.449 1.00 1.84 H new ATOM 211 N ILE A 16 2.378 11.913 -1.620 1.00 0.65 N ATOM 212 CA ILE A 16 3.452 11.072 -2.124 1.00 0.51 C ATOM 213 C ILE A 16 3.299 10.747 -3.602 1.00 0.54 C ATOM 214 O ILE A 16 2.225 10.894 -4.186 1.00 0.68 O ATOM 215 CB ILE A 16 3.521 9.746 -1.357 1.00 0.41 C ATOM 216 CG1 ILE A 16 4.793 9.691 -0.527 1.00 0.40 C ATOM 217 CG2 ILE A 16 3.461 8.571 -2.321 1.00 0.42 C ATOM 218 CD1 ILE A 16 5.344 8.291 -0.377 1.00 0.40 C ATOM 0 H ILE A 16 1.793 11.471 -0.911 1.00 0.65 H new ATOM 0 HA ILE A 16 4.366 11.648 -1.980 1.00 0.51 H new ATOM 0 HB ILE A 16 2.664 9.682 -0.687 1.00 0.41 H new ATOM 0 HG12 ILE A 16 5.549 10.325 -0.990 1.00 0.40 H new ATOM 0 HG13 ILE A 16 4.593 10.104 0.462 1.00 0.40 H new ATOM 0 HG21 ILE A 16 3.511 7.638 -1.760 1.00 0.42 H new ATOM 0 HG22 ILE A 16 2.527 8.608 -2.882 1.00 0.42 H new ATOM 0 HG23 ILE A 16 4.302 8.624 -3.013 1.00 0.42 H new ATOM 0 HD11 ILE A 16 6.252 8.320 0.226 1.00 0.40 H new ATOM 0 HD12 ILE A 16 4.603 7.659 0.113 1.00 0.40 H new ATOM 0 HD13 ILE A 16 5.575 7.883 -1.361 1.00 0.40 H new ATOM 230 N SER A 17 4.394 10.269 -4.181 1.00 0.48 N ATOM 231 CA SER A 17 4.431 9.869 -5.579 1.00 0.58 C ATOM 232 C SER A 17 4.956 8.442 -5.684 1.00 0.58 C ATOM 233 O SER A 17 5.133 7.764 -4.672 1.00 0.73 O ATOM 234 CB SER A 17 5.318 10.817 -6.387 1.00 0.68 C ATOM 235 OG SER A 17 4.828 10.972 -7.707 1.00 1.27 O ATOM 0 H SER A 17 5.281 10.148 -3.692 1.00 0.48 H new ATOM 0 HA SER A 17 3.422 9.915 -5.988 1.00 0.58 H new ATOM 0 HB2 SER A 17 5.360 11.789 -5.895 1.00 0.68 H new ATOM 0 HB3 SER A 17 6.337 10.430 -6.417 1.00 0.68 H new ATOM 0 HG SER A 17 5.411 11.584 -8.203 1.00 1.27 H new ATOM 241 N ARG A 18 5.213 7.989 -6.902 1.00 0.59 N ATOM 242 CA ARG A 18 5.729 6.642 -7.112 1.00 0.64 C ATOM 243 C ARG A 18 7.206 6.557 -6.726 1.00 0.60 C ATOM 244 O ARG A 18 7.663 5.545 -6.198 1.00 0.69 O ATOM 245 CB ARG A 18 5.542 6.221 -8.572 1.00 0.79 C ATOM 246 CG ARG A 18 6.511 6.893 -9.531 1.00 1.48 C ATOM 247 CD ARG A 18 5.817 7.326 -10.813 1.00 1.76 C ATOM 248 NE ARG A 18 5.259 6.192 -11.544 1.00 2.12 N ATOM 249 CZ ARG A 18 6.000 5.264 -12.142 1.00 2.50 C ATOM 250 NH1 ARG A 18 7.323 5.334 -12.091 1.00 2.69 N ATOM 251 NH2 ARG A 18 5.418 4.265 -12.792 1.00 3.30 N ATOM 0 H ARG A 18 5.074 8.529 -7.756 1.00 0.59 H new ATOM 0 HA ARG A 18 5.167 5.961 -6.473 1.00 0.64 H new ATOM 0 HB2 ARG A 18 5.661 5.140 -8.647 1.00 0.79 H new ATOM 0 HB3 ARG A 18 4.522 6.451 -8.879 1.00 0.79 H new ATOM 0 HG2 ARG A 18 6.959 7.761 -9.048 1.00 1.48 H new ATOM 0 HG3 ARG A 18 7.323 6.206 -9.770 1.00 1.48 H new ATOM 0 HD2 ARG A 18 5.020 8.030 -10.574 1.00 1.76 H new ATOM 0 HD3 ARG A 18 6.528 7.853 -11.450 1.00 1.76 H new ATOM 0 HE ARG A 18 4.244 6.107 -11.599 1.00 2.12 H new ATOM 0 HH11 ARG A 18 7.774 6.101 -11.592 1.00 2.69 H new ATOM 0 HH12 ARG A 18 7.890 4.621 -12.550 1.00 2.69 H new ATOM 0 HH21 ARG A 18 4.400 4.208 -12.834 1.00 3.30 H new ATOM 0 HH22 ARG A 18 5.988 3.554 -13.250 1.00 3.30 H new ATOM 265 N ASP A 19 7.947 7.623 -7.014 1.00 0.59 N ATOM 266 CA ASP A 19 9.379 7.674 -6.720 1.00 0.69 C ATOM 267 C ASP A 19 9.677 7.866 -5.231 1.00 0.62 C ATOM 268 O ASP A 19 10.545 7.191 -4.677 1.00 0.68 O ATOM 269 CB ASP A 19 10.034 8.802 -7.517 1.00 0.83 C ATOM 270 CG ASP A 19 10.494 8.350 -8.889 1.00 1.26 C ATOM 271 OD1 ASP A 19 9.824 7.478 -9.482 1.00 1.65 O ATOM 272 OD2 ASP A 19 11.522 8.869 -9.371 1.00 1.99 O ATOM 0 H ASP A 19 7.579 8.467 -7.453 1.00 0.59 H new ATOM 0 HA ASP A 19 9.793 6.709 -7.012 1.00 0.69 H new ATOM 0 HB2 ASP A 19 9.326 9.624 -7.627 1.00 0.83 H new ATOM 0 HB3 ASP A 19 10.887 9.188 -6.960 1.00 0.83 H new ATOM 277 N LYS A 20 8.985 8.807 -4.592 1.00 0.53 N ATOM 278 CA LYS A 20 9.220 9.095 -3.177 1.00 0.51 C ATOM 279 C LYS A 20 9.033 7.859 -2.306 1.00 0.44 C ATOM 280 O LYS A 20 9.916 7.507 -1.515 1.00 0.47 O ATOM 281 CB LYS A 20 8.293 10.212 -2.700 1.00 0.53 C ATOM 282 CG LYS A 20 8.250 11.405 -3.637 1.00 1.02 C ATOM 283 CD LYS A 20 6.964 11.423 -4.443 1.00 1.98 C ATOM 284 CE LYS A 20 5.929 12.344 -3.816 1.00 2.74 C ATOM 285 NZ LYS A 20 6.327 13.775 -3.913 1.00 3.58 N ATOM 0 H LYS A 20 8.262 9.380 -5.027 1.00 0.53 H new ATOM 0 HA LYS A 20 10.257 9.418 -3.080 1.00 0.51 H new ATOM 0 HB2 LYS A 20 7.285 9.813 -2.586 1.00 0.53 H new ATOM 0 HB3 LYS A 20 8.617 10.546 -1.714 1.00 0.53 H new ATOM 0 HG2 LYS A 20 8.334 12.327 -3.061 1.00 1.02 H new ATOM 0 HG3 LYS A 20 9.105 11.372 -4.312 1.00 1.02 H new ATOM 0 HD2 LYS A 20 7.175 11.750 -5.461 1.00 1.98 H new ATOM 0 HD3 LYS A 20 6.561 10.413 -4.510 1.00 1.98 H new ATOM 0 HE2 LYS A 20 4.968 12.200 -4.310 1.00 2.74 H new ATOM 0 HE3 LYS A 20 5.792 12.076 -2.768 1.00 2.74 H new ATOM 0 HZ1 LYS A 20 5.483 14.377 -3.831 1.00 3.58 H new ATOM 0 HZ2 LYS A 20 6.991 14.003 -3.146 1.00 3.58 H new ATOM 0 HZ3 LYS A 20 6.786 13.946 -4.830 1.00 3.58 H new ATOM 299 N ALA A 21 7.890 7.197 -2.446 1.00 0.38 N ATOM 300 CA ALA A 21 7.625 6.005 -1.655 1.00 0.34 C ATOM 301 C ALA A 21 8.790 5.028 -1.776 1.00 0.34 C ATOM 302 O ALA A 21 9.356 4.583 -0.773 1.00 0.35 O ATOM 303 CB ALA A 21 6.308 5.361 -2.056 1.00 0.35 C ATOM 0 H ALA A 21 7.144 7.461 -3.089 1.00 0.38 H new ATOM 0 HA ALA A 21 7.531 6.294 -0.608 1.00 0.34 H new ATOM 0 HB1 ALA A 21 6.137 4.473 -1.448 1.00 0.35 H new ATOM 0 HB2 ALA A 21 5.494 6.069 -1.900 1.00 0.35 H new ATOM 0 HB3 ALA A 21 6.347 5.078 -3.108 1.00 0.35 H new ATOM 309 N GLU A 22 9.182 4.727 -3.008 1.00 0.38 N ATOM 310 CA GLU A 22 10.311 3.840 -3.226 1.00 0.40 C ATOM 311 C GLU A 22 11.515 4.399 -2.482 1.00 0.40 C ATOM 312 O GLU A 22 12.238 3.672 -1.795 1.00 0.38 O ATOM 313 CB GLU A 22 10.624 3.712 -4.719 1.00 0.47 C ATOM 314 CG GLU A 22 9.452 3.212 -5.548 1.00 0.62 C ATOM 315 CD GLU A 22 9.874 2.726 -6.921 1.00 1.01 C ATOM 316 OE1 GLU A 22 11.094 2.591 -7.154 1.00 1.70 O ATOM 317 OE2 GLU A 22 8.985 2.480 -7.763 1.00 1.64 O ATOM 0 H GLU A 22 8.741 5.079 -3.858 1.00 0.38 H new ATOM 0 HA GLU A 22 10.068 2.845 -2.852 1.00 0.40 H new ATOM 0 HB2 GLU A 22 10.939 4.684 -5.100 1.00 0.47 H new ATOM 0 HB3 GLU A 22 11.465 3.031 -4.848 1.00 0.47 H new ATOM 0 HG2 GLU A 22 8.956 2.400 -5.016 1.00 0.62 H new ATOM 0 HG3 GLU A 22 8.722 4.014 -5.659 1.00 0.62 H new ATOM 324 N LYS A 23 11.697 5.714 -2.598 1.00 0.44 N ATOM 325 CA LYS A 23 12.782 6.394 -1.913 1.00 0.48 C ATOM 326 C LYS A 23 12.663 6.149 -0.419 1.00 0.47 C ATOM 327 O LYS A 23 13.616 5.711 0.227 1.00 0.50 O ATOM 328 CB LYS A 23 12.752 7.896 -2.209 1.00 0.55 C ATOM 329 CG LYS A 23 12.338 8.745 -1.017 1.00 0.81 C ATOM 330 CD LYS A 23 12.933 10.141 -1.095 1.00 1.39 C ATOM 331 CE LYS A 23 12.184 11.117 -0.201 1.00 1.91 C ATOM 332 NZ LYS A 23 12.951 12.375 0.013 1.00 2.54 N ATOM 0 H LYS A 23 11.105 6.324 -3.161 1.00 0.44 H new ATOM 0 HA LYS A 23 13.732 5.999 -2.272 1.00 0.48 H new ATOM 0 HB2 LYS A 23 13.740 8.211 -2.543 1.00 0.55 H new ATOM 0 HB3 LYS A 23 12.063 8.081 -3.033 1.00 0.55 H new ATOM 0 HG2 LYS A 23 11.251 8.813 -0.977 1.00 0.81 H new ATOM 0 HG3 LYS A 23 12.661 8.262 -0.095 1.00 0.81 H new ATOM 0 HD2 LYS A 23 13.982 10.108 -0.800 1.00 1.39 H new ATOM 0 HD3 LYS A 23 12.903 10.494 -2.126 1.00 1.39 H new ATOM 0 HE2 LYS A 23 11.219 11.352 -0.649 1.00 1.91 H new ATOM 0 HE3 LYS A 23 11.983 10.647 0.761 1.00 1.91 H new ATOM 0 HZ1 LYS A 23 12.406 13.013 0.627 1.00 2.54 H new ATOM 0 HZ2 LYS A 23 13.862 12.154 0.464 1.00 2.54 H new ATOM 0 HZ3 LYS A 23 13.121 12.838 -0.903 1.00 2.54 H new ATOM 346 N LEU A 24 11.476 6.411 0.127 1.00 0.46 N ATOM 347 CA LEU A 24 11.244 6.185 1.547 1.00 0.49 C ATOM 348 C LEU A 24 11.479 4.717 1.872 1.00 0.48 C ATOM 349 O LEU A 24 12.128 4.389 2.865 1.00 0.54 O ATOM 350 CB LEU A 24 9.829 6.599 1.962 1.00 0.53 C ATOM 351 CG LEU A 24 8.743 6.395 0.906 1.00 0.75 C ATOM 352 CD1 LEU A 24 8.134 5.003 1.014 1.00 0.87 C ATOM 353 CD2 LEU A 24 7.667 7.460 1.049 1.00 1.66 C ATOM 0 H LEU A 24 10.673 6.775 -0.386 1.00 0.46 H new ATOM 0 HA LEU A 24 11.944 6.803 2.109 1.00 0.49 H new ATOM 0 HB2 LEU A 24 9.553 6.037 2.854 1.00 0.53 H new ATOM 0 HB3 LEU A 24 9.845 7.653 2.241 1.00 0.53 H new ATOM 0 HG LEU A 24 9.200 6.487 -0.079 1.00 0.75 H new ATOM 0 HD11 LEU A 24 7.364 4.883 0.252 1.00 0.87 H new ATOM 0 HD12 LEU A 24 8.911 4.253 0.866 1.00 0.87 H new ATOM 0 HD13 LEU A 24 7.690 4.876 2.001 1.00 0.87 H new ATOM 0 HD21 LEU A 24 6.899 7.305 0.292 1.00 1.66 H new ATOM 0 HD22 LEU A 24 7.218 7.393 2.040 1.00 1.66 H new ATOM 0 HD23 LEU A 24 8.112 8.446 0.918 1.00 1.66 H new ATOM 365 N LEU A 25 10.966 3.833 1.016 1.00 0.43 N ATOM 366 CA LEU A 25 11.154 2.401 1.217 1.00 0.43 C ATOM 367 C LEU A 25 12.637 2.066 1.193 1.00 0.42 C ATOM 368 O LEU A 25 13.142 1.360 2.066 1.00 0.47 O ATOM 369 CB LEU A 25 10.432 1.594 0.137 1.00 0.41 C ATOM 370 CG LEU A 25 8.904 1.587 0.246 1.00 0.49 C ATOM 371 CD1 LEU A 25 8.286 0.820 -0.913 1.00 1.30 C ATOM 372 CD2 LEU A 25 8.472 0.990 1.575 1.00 1.34 C ATOM 0 H LEU A 25 10.424 4.081 0.188 1.00 0.43 H new ATOM 0 HA LEU A 25 10.732 2.137 2.187 1.00 0.43 H new ATOM 0 HB2 LEU A 25 10.710 1.992 -0.839 1.00 0.41 H new ATOM 0 HB3 LEU A 25 10.789 0.565 0.175 1.00 0.41 H new ATOM 0 HG LEU A 25 8.550 2.617 0.198 1.00 0.49 H new ATOM 0 HD11 LEU A 25 7.200 0.827 -0.816 1.00 1.30 H new ATOM 0 HD12 LEU A 25 8.570 1.292 -1.854 1.00 1.30 H new ATOM 0 HD13 LEU A 25 8.645 -0.209 -0.901 1.00 1.30 H new ATOM 0 HD21 LEU A 25 7.384 0.992 1.638 1.00 1.34 H new ATOM 0 HD22 LEU A 25 8.838 -0.034 1.650 1.00 1.34 H new ATOM 0 HD23 LEU A 25 8.884 1.583 2.391 1.00 1.34 H new ATOM 384 N LEU A 26 13.332 2.582 0.184 1.00 0.40 N ATOM 385 CA LEU A 26 14.761 2.342 0.045 1.00 0.44 C ATOM 386 C LEU A 26 15.509 2.774 1.304 1.00 0.47 C ATOM 387 O LEU A 26 16.482 2.136 1.709 1.00 0.52 O ATOM 388 CB LEU A 26 15.310 3.091 -1.170 1.00 0.50 C ATOM 389 CG LEU A 26 15.444 2.252 -2.442 1.00 0.70 C ATOM 390 CD1 LEU A 26 14.480 1.077 -2.411 1.00 1.67 C ATOM 391 CD2 LEU A 26 15.201 3.113 -3.672 1.00 1.56 C ATOM 0 H LEU A 26 12.928 3.168 -0.547 1.00 0.40 H new ATOM 0 HA LEU A 26 14.913 1.272 -0.098 1.00 0.44 H new ATOM 0 HB2 LEU A 26 14.658 3.939 -1.380 1.00 0.50 H new ATOM 0 HB3 LEU A 26 16.289 3.496 -0.916 1.00 0.50 H new ATOM 0 HG LEU A 26 16.459 1.859 -2.492 1.00 0.70 H new ATOM 0 HD11 LEU A 26 14.590 0.492 -3.324 1.00 1.67 H new ATOM 0 HD12 LEU A 26 14.700 0.448 -1.548 1.00 1.67 H new ATOM 0 HD13 LEU A 26 13.457 1.447 -2.338 1.00 1.67 H new ATOM 0 HD21 LEU A 26 15.300 2.502 -4.569 1.00 1.56 H new ATOM 0 HD22 LEU A 26 14.197 3.534 -3.629 1.00 1.56 H new ATOM 0 HD23 LEU A 26 15.932 3.921 -3.701 1.00 1.56 H new ATOM 403 N ASP A 27 15.050 3.862 1.919 1.00 0.53 N ATOM 404 CA ASP A 27 15.679 4.379 3.132 1.00 0.64 C ATOM 405 C ASP A 27 15.765 3.297 4.203 1.00 0.71 C ATOM 406 O ASP A 27 16.827 3.063 4.779 1.00 0.89 O ATOM 407 CB ASP A 27 14.895 5.580 3.664 1.00 0.66 C ATOM 408 CG ASP A 27 15.800 6.651 4.240 1.00 1.45 C ATOM 409 OD1 ASP A 27 16.748 7.066 3.540 1.00 2.20 O ATOM 410 OD2 ASP A 27 15.561 7.076 5.389 1.00 2.18 O ATOM 0 H ASP A 27 14.246 4.402 1.598 1.00 0.53 H new ATOM 0 HA ASP A 27 16.691 4.697 2.881 1.00 0.64 H new ATOM 0 HB2 ASP A 27 14.298 6.007 2.858 1.00 0.66 H new ATOM 0 HB3 ASP A 27 14.199 5.244 4.433 1.00 0.66 H new ATOM 415 N THR A 28 14.643 2.630 4.455 1.00 0.66 N ATOM 416 CA THR A 28 14.596 1.562 5.446 1.00 0.82 C ATOM 417 C THR A 28 14.923 0.233 4.786 1.00 0.80 C ATOM 418 O THR A 28 15.841 -0.476 5.199 1.00 1.00 O ATOM 419 CB THR A 28 13.212 1.500 6.090 1.00 0.93 C ATOM 420 OG1 THR A 28 13.163 0.490 7.081 1.00 1.70 O ATOM 421 CG2 THR A 28 12.097 1.233 5.100 1.00 1.00 C ATOM 0 H THR A 28 13.755 2.811 3.987 1.00 0.66 H new ATOM 0 HA THR A 28 15.334 1.767 6.222 1.00 0.82 H new ATOM 0 HB THR A 28 13.055 2.487 6.526 1.00 0.93 H new ATOM 0 HG1 THR A 28 12.535 0.753 7.785 1.00 1.70 H new ATOM 0 HG21 THR A 28 11.143 1.202 5.626 1.00 1.00 H new ATOM 0 HG22 THR A 28 12.075 2.028 4.354 1.00 1.00 H new ATOM 0 HG23 THR A 28 12.270 0.277 4.606 1.00 1.00 H new ATOM 429 N GLY A 29 14.175 -0.077 3.739 1.00 0.70 N ATOM 430 CA GLY A 29 14.393 -1.300 2.993 1.00 0.87 C ATOM 431 C GLY A 29 14.089 -2.566 3.773 1.00 0.92 C ATOM 432 O GLY A 29 14.997 -3.321 4.119 1.00 1.53 O ATOM 0 H GLY A 29 13.413 0.503 3.389 1.00 0.70 H new ATOM 0 HA2 GLY A 29 13.773 -1.281 2.097 1.00 0.87 H new ATOM 0 HA3 GLY A 29 15.431 -1.331 2.662 1.00 0.87 H new ATOM 436 N LYS A 30 12.808 -2.817 4.021 1.00 0.73 N ATOM 437 CA LYS A 30 12.390 -4.022 4.729 1.00 0.75 C ATOM 438 C LYS A 30 11.833 -5.036 3.740 1.00 0.70 C ATOM 439 O LYS A 30 11.841 -4.806 2.532 1.00 0.96 O ATOM 440 CB LYS A 30 11.322 -3.710 5.779 1.00 0.84 C ATOM 441 CG LYS A 30 11.622 -2.490 6.627 1.00 0.89 C ATOM 442 CD LYS A 30 11.623 -1.221 5.800 1.00 1.08 C ATOM 443 CE LYS A 30 10.409 -1.150 4.892 1.00 1.70 C ATOM 444 NZ LYS A 30 9.241 -1.874 5.464 1.00 2.55 N ATOM 0 H LYS A 30 12.042 -2.203 3.743 1.00 0.73 H new ATOM 0 HA LYS A 30 13.265 -4.431 5.234 1.00 0.75 H new ATOM 0 HB2 LYS A 30 10.366 -3.563 5.276 1.00 0.84 H new ATOM 0 HB3 LYS A 30 11.208 -4.574 6.433 1.00 0.84 H new ATOM 0 HG2 LYS A 30 10.880 -2.407 7.421 1.00 0.89 H new ATOM 0 HG3 LYS A 30 12.592 -2.611 7.109 1.00 0.89 H new ATOM 0 HD2 LYS A 30 11.636 -0.354 6.461 1.00 1.08 H new ATOM 0 HD3 LYS A 30 12.531 -1.177 5.199 1.00 1.08 H new ATOM 0 HE2 LYS A 30 10.142 -0.107 4.725 1.00 1.70 H new ATOM 0 HE3 LYS A 30 10.658 -1.575 3.920 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 8.363 -1.392 5.184 1.00 2.55 H new ATOM 0 HZ2 LYS A 30 9.229 -2.851 5.107 1.00 2.55 H new ATOM 0 HZ3 LYS A 30 9.314 -1.886 6.501 1.00 2.55 H new ATOM 458 N GLU A 31 11.336 -6.149 4.257 1.00 0.61 N ATOM 459 CA GLU A 31 10.760 -7.182 3.411 1.00 0.64 C ATOM 460 C GLU A 31 9.295 -6.877 3.134 1.00 0.57 C ATOM 461 O GLU A 31 8.446 -7.012 4.013 1.00 0.68 O ATOM 462 CB GLU A 31 10.889 -8.554 4.077 1.00 0.89 C ATOM 463 CG GLU A 31 10.257 -9.680 3.274 1.00 1.03 C ATOM 464 CD GLU A 31 10.657 -11.053 3.780 1.00 1.40 C ATOM 465 OE1 GLU A 31 11.208 -11.137 4.897 1.00 2.11 O ATOM 466 OE2 GLU A 31 10.419 -12.044 3.057 1.00 1.80 O ATOM 0 H GLU A 31 11.320 -6.360 5.255 1.00 0.61 H new ATOM 0 HA GLU A 31 11.305 -7.198 2.467 1.00 0.64 H new ATOM 0 HB2 GLU A 31 11.945 -8.776 4.231 1.00 0.89 H new ATOM 0 HB3 GLU A 31 10.424 -8.516 5.062 1.00 0.89 H new ATOM 0 HG2 GLU A 31 9.172 -9.584 3.313 1.00 1.03 H new ATOM 0 HG3 GLU A 31 10.548 -9.583 2.228 1.00 1.03 H new ATOM 473 N GLY A 32 9.004 -6.463 1.910 1.00 0.49 N ATOM 474 CA GLY A 32 7.640 -6.144 1.546 1.00 0.53 C ATOM 475 C GLY A 32 7.166 -4.863 2.197 1.00 0.44 C ATOM 476 O GLY A 32 5.992 -4.732 2.546 1.00 0.53 O ATOM 0 H GLY A 32 9.688 -6.342 1.163 1.00 0.49 H new ATOM 0 HA2 GLY A 32 7.566 -6.049 0.463 1.00 0.53 H new ATOM 0 HA3 GLY A 32 6.985 -6.964 1.840 1.00 0.53 H new ATOM 480 N ALA A 33 8.080 -3.911 2.352 1.00 0.31 N ATOM 481 CA ALA A 33 7.744 -2.629 2.957 1.00 0.28 C ATOM 482 C ALA A 33 6.435 -2.116 2.375 1.00 0.25 C ATOM 483 O ALA A 33 6.282 -2.054 1.157 1.00 0.35 O ATOM 484 CB ALA A 33 8.860 -1.628 2.714 1.00 0.31 C ATOM 0 H ALA A 33 9.055 -4.003 2.068 1.00 0.31 H new ATOM 0 HA ALA A 33 7.626 -2.760 4.033 1.00 0.28 H new ATOM 0 HB1 ALA A 33 8.598 -0.673 3.170 1.00 0.31 H new ATOM 0 HB2 ALA A 33 9.785 -2.000 3.155 1.00 0.31 H new ATOM 0 HB3 ALA A 33 8.999 -1.491 1.642 1.00 0.31 H new ATOM 490 N PHE A 34 5.480 -1.767 3.231 1.00 0.22 N ATOM 491 CA PHE A 34 4.193 -1.290 2.743 1.00 0.20 C ATOM 492 C PHE A 34 4.000 0.205 2.931 1.00 0.21 C ATOM 493 O PHE A 34 4.139 0.733 4.028 1.00 0.25 O ATOM 494 CB PHE A 34 3.048 -2.009 3.433 1.00 0.20 C ATOM 495 CG PHE A 34 1.761 -1.271 3.260 1.00 0.18 C ATOM 496 CD1 PHE A 34 1.289 -0.997 1.992 1.00 0.18 C ATOM 497 CD2 PHE A 34 1.027 -0.841 4.344 1.00 0.18 C ATOM 498 CE1 PHE A 34 0.113 -0.307 1.810 1.00 0.18 C ATOM 499 CE2 PHE A 34 -0.138 -0.156 4.166 1.00 0.18 C ATOM 500 CZ PHE A 34 -0.602 0.119 2.902 1.00 0.18 C ATOM 0 H PHE A 34 5.570 -1.804 4.246 1.00 0.22 H new ATOM 0 HA PHE A 34 4.191 -1.504 1.674 1.00 0.20 H new ATOM 0 HB2 PHE A 34 2.950 -3.016 3.026 1.00 0.20 H new ATOM 0 HB3 PHE A 34 3.269 -2.114 4.495 1.00 0.20 H new ATOM 0 HD1 PHE A 34 1.851 -1.329 1.131 1.00 0.18 H new ATOM 0 HD2 PHE A 34 1.378 -1.049 5.344 1.00 0.18 H new ATOM 0 HE1 PHE A 34 -0.246 -0.101 0.813 1.00 0.18 H new ATOM 0 HE2 PHE A 34 -0.702 0.174 5.026 1.00 0.18 H new ATOM 0 HZ PHE A 34 -1.523 0.667 2.768 1.00 0.18 H new ATOM 510 N MET A 35 3.637 0.875 1.850 1.00 0.23 N ATOM 511 CA MET A 35 3.378 2.302 1.888 1.00 0.27 C ATOM 512 C MET A 35 2.100 2.614 1.120 1.00 0.28 C ATOM 513 O MET A 35 1.616 1.784 0.353 1.00 0.57 O ATOM 514 CB MET A 35 4.561 3.065 1.301 1.00 0.40 C ATOM 515 CG MET A 35 4.264 4.517 0.990 1.00 0.51 C ATOM 516 SD MET A 35 4.042 5.497 2.481 1.00 0.97 S ATOM 517 CE MET A 35 5.657 5.303 3.222 1.00 0.67 C ATOM 0 H MET A 35 3.515 0.449 0.931 1.00 0.23 H new ATOM 0 HA MET A 35 3.248 2.617 2.923 1.00 0.27 H new ATOM 0 HB2 MET A 35 5.395 3.017 2.002 1.00 0.40 H new ATOM 0 HB3 MET A 35 4.884 2.567 0.387 1.00 0.40 H new ATOM 0 HG2 MET A 35 5.080 4.935 0.400 1.00 0.51 H new ATOM 0 HG3 MET A 35 3.364 4.579 0.378 1.00 0.51 H new ATOM 0 HE1 MET A 35 5.694 5.852 4.163 1.00 0.67 H new ATOM 0 HE2 MET A 35 5.846 4.246 3.410 1.00 0.67 H new ATOM 0 HE3 MET A 35 6.417 5.693 2.545 1.00 0.67 H new ATOM 527 N VAL A 36 1.552 3.804 1.325 1.00 0.25 N ATOM 528 CA VAL A 36 0.326 4.199 0.636 1.00 0.21 C ATOM 529 C VAL A 36 0.374 5.656 0.211 1.00 0.24 C ATOM 530 O VAL A 36 1.026 6.479 0.853 1.00 0.28 O ATOM 531 CB VAL A 36 -0.924 3.982 1.499 1.00 0.22 C ATOM 532 CG1 VAL A 36 -2.170 4.451 0.762 1.00 0.27 C ATOM 533 CG2 VAL A 36 -1.046 2.522 1.887 1.00 0.25 C ATOM 0 H VAL A 36 1.931 4.509 1.957 1.00 0.25 H new ATOM 0 HA VAL A 36 0.260 3.560 -0.244 1.00 0.21 H new ATOM 0 HB VAL A 36 -0.827 4.573 2.409 1.00 0.22 H new ATOM 0 HG11 VAL A 36 -3.046 4.289 1.390 1.00 0.27 H new ATOM 0 HG12 VAL A 36 -2.079 5.513 0.533 1.00 0.27 H new ATOM 0 HG13 VAL A 36 -2.278 3.887 -0.165 1.00 0.27 H new ATOM 0 HG21 VAL A 36 -1.937 2.381 2.499 1.00 0.25 H new ATOM 0 HG22 VAL A 36 -1.124 1.912 0.987 1.00 0.25 H new ATOM 0 HG23 VAL A 36 -0.165 2.221 2.454 1.00 0.25 H new ATOM 543 N ARG A 37 -0.314 5.969 -0.877 1.00 0.25 N ATOM 544 CA ARG A 37 -0.339 7.331 -1.383 1.00 0.31 C ATOM 545 C ARG A 37 -1.648 7.640 -2.099 1.00 0.33 C ATOM 546 O ARG A 37 -2.121 6.856 -2.920 1.00 0.40 O ATOM 547 CB ARG A 37 0.853 7.550 -2.311 1.00 0.35 C ATOM 548 CG ARG A 37 0.501 7.554 -3.786 1.00 1.06 C ATOM 549 CD ARG A 37 1.447 6.656 -4.563 1.00 0.93 C ATOM 550 NE ARG A 37 1.622 7.088 -5.949 1.00 1.55 N ATOM 551 CZ ARG A 37 0.623 7.434 -6.758 1.00 2.07 C ATOM 552 NH1 ARG A 37 -0.633 7.382 -6.338 1.00 2.45 N ATOM 553 NH2 ARG A 37 0.883 7.822 -7.999 1.00 2.83 N ATOM 0 H ARG A 37 -0.859 5.302 -1.423 1.00 0.25 H new ATOM 0 HA ARG A 37 -0.268 8.016 -0.538 1.00 0.31 H new ATOM 0 HB2 ARG A 37 1.325 8.500 -2.059 1.00 0.35 H new ATOM 0 HB3 ARG A 37 1.590 6.769 -2.127 1.00 0.35 H new ATOM 0 HG2 ARG A 37 -0.526 7.214 -3.921 1.00 1.06 H new ATOM 0 HG3 ARG A 37 0.554 8.571 -4.175 1.00 1.06 H new ATOM 0 HD2 ARG A 37 2.417 6.640 -4.066 1.00 0.93 H new ATOM 0 HD3 ARG A 37 1.066 5.635 -4.550 1.00 0.93 H new ATOM 0 HE ARG A 37 2.571 7.127 -6.320 1.00 1.55 H new ATOM 0 HH11 ARG A 37 -0.841 7.075 -5.388 1.00 2.45 H new ATOM 0 HH12 ARG A 37 -1.392 7.649 -6.965 1.00 2.45 H new ATOM 0 HH21 ARG A 37 1.847 7.855 -8.332 1.00 2.83 H new ATOM 0 HH22 ARG A 37 0.119 8.088 -8.621 1.00 2.83 H new ATOM 567 N ASP A 38 -2.227 8.792 -1.778 1.00 0.39 N ATOM 568 CA ASP A 38 -3.482 9.211 -2.386 1.00 0.42 C ATOM 569 C ASP A 38 -3.307 9.445 -3.882 1.00 0.37 C ATOM 570 O ASP A 38 -2.235 9.842 -4.338 1.00 0.42 O ATOM 571 CB ASP A 38 -4.002 10.482 -1.714 1.00 0.58 C ATOM 572 CG ASP A 38 -5.409 10.835 -2.155 1.00 0.60 C ATOM 573 OD1 ASP A 38 -5.678 10.787 -3.374 1.00 1.19 O ATOM 574 OD2 ASP A 38 -6.241 11.160 -1.282 1.00 1.35 O ATOM 0 H ASP A 38 -1.846 9.452 -1.100 1.00 0.39 H new ATOM 0 HA ASP A 38 -4.211 8.413 -2.244 1.00 0.42 H new ATOM 0 HB2 ASP A 38 -3.986 10.350 -0.632 1.00 0.58 H new ATOM 0 HB3 ASP A 38 -3.333 11.311 -1.944 1.00 0.58 H new ATOM 579 N SER A 39 -4.365 9.188 -4.640 1.00 0.38 N ATOM 580 CA SER A 39 -4.329 9.361 -6.084 1.00 0.43 C ATOM 581 C SER A 39 -5.332 10.418 -6.539 1.00 0.48 C ATOM 582 O SER A 39 -5.156 11.610 -6.283 1.00 1.43 O ATOM 583 CB SER A 39 -4.621 8.028 -6.776 1.00 0.66 C ATOM 584 OG SER A 39 -5.206 8.231 -8.050 1.00 1.47 O ATOM 0 H SER A 39 -5.259 8.859 -4.277 1.00 0.38 H new ATOM 0 HA SER A 39 -3.331 9.701 -6.361 1.00 0.43 H new ATOM 0 HB2 SER A 39 -3.697 7.461 -6.883 1.00 0.66 H new ATOM 0 HB3 SER A 39 -5.291 7.432 -6.156 1.00 0.66 H new ATOM 0 HG SER A 39 -4.723 7.703 -8.720 1.00 1.47 H new ATOM 590 N ARG A 40 -6.381 9.970 -7.219 1.00 0.88 N ATOM 591 CA ARG A 40 -7.419 10.864 -7.720 1.00 0.93 C ATOM 592 C ARG A 40 -8.553 10.061 -8.348 1.00 0.98 C ATOM 593 O ARG A 40 -9.680 10.541 -8.468 1.00 1.62 O ATOM 594 CB ARG A 40 -6.835 11.838 -8.745 1.00 1.11 C ATOM 595 CG ARG A 40 -7.670 13.095 -8.933 1.00 1.76 C ATOM 596 CD ARG A 40 -6.809 14.347 -8.891 1.00 2.49 C ATOM 597 NE ARG A 40 -6.975 15.084 -7.641 1.00 3.02 N ATOM 598 CZ ARG A 40 -6.327 16.209 -7.358 1.00 3.43 C ATOM 599 NH1 ARG A 40 -5.475 16.724 -8.234 1.00 3.44 N ATOM 600 NH2 ARG A 40 -6.532 16.821 -6.200 1.00 4.32 N ATOM 0 H ARG A 40 -6.536 8.986 -7.437 1.00 0.88 H new ATOM 0 HA ARG A 40 -7.816 11.435 -6.881 1.00 0.93 H new ATOM 0 HB2 ARG A 40 -5.830 12.122 -8.432 1.00 1.11 H new ATOM 0 HB3 ARG A 40 -6.738 11.329 -9.704 1.00 1.11 H new ATOM 0 HG2 ARG A 40 -8.195 13.045 -9.887 1.00 1.76 H new ATOM 0 HG3 ARG A 40 -8.430 13.148 -8.153 1.00 1.76 H new ATOM 0 HD2 ARG A 40 -5.762 14.071 -9.013 1.00 2.49 H new ATOM 0 HD3 ARG A 40 -7.068 14.993 -9.730 1.00 2.49 H new ATOM 0 HE ARG A 40 -7.624 14.715 -6.947 1.00 3.02 H new ATOM 0 HH11 ARG A 40 -5.316 16.256 -9.127 1.00 3.44 H new ATOM 0 HH12 ARG A 40 -4.978 17.588 -8.015 1.00 3.44 H new ATOM 0 HH21 ARG A 40 -7.188 16.428 -5.525 1.00 4.32 H new ATOM 0 HH22 ARG A 40 -6.034 17.684 -5.984 1.00 4.32 H new ATOM 614 N THR A 41 -8.238 8.832 -8.742 1.00 0.99 N ATOM 615 CA THR A 41 -9.212 7.936 -9.353 1.00 1.12 C ATOM 616 C THR A 41 -10.523 7.940 -8.560 1.00 1.01 C ATOM 617 O THR A 41 -10.780 8.863 -7.788 1.00 1.02 O ATOM 618 CB THR A 41 -8.619 6.528 -9.425 1.00 1.23 C ATOM 619 OG1 THR A 41 -9.124 5.818 -10.542 1.00 1.49 O ATOM 620 CG2 THR A 41 -8.879 5.706 -8.182 1.00 1.09 C ATOM 0 H THR A 41 -7.305 8.431 -8.647 1.00 0.99 H new ATOM 0 HA THR A 41 -9.439 8.280 -10.362 1.00 1.12 H new ATOM 0 HB THR A 41 -7.543 6.674 -9.519 1.00 1.23 H new ATOM 0 HG1 THR A 41 -8.843 4.881 -10.488 1.00 1.49 H new ATOM 0 HG21 THR A 41 -8.432 4.719 -8.299 1.00 1.09 H new ATOM 0 HG22 THR A 41 -8.439 6.204 -7.318 1.00 1.09 H new ATOM 0 HG23 THR A 41 -9.954 5.602 -8.033 1.00 1.09 H new ATOM 628 N PRO A 42 -11.381 6.918 -8.744 1.00 1.09 N ATOM 629 CA PRO A 42 -12.670 6.827 -8.048 1.00 1.11 C ATOM 630 C PRO A 42 -12.610 7.218 -6.570 1.00 0.85 C ATOM 631 O PRO A 42 -13.635 7.214 -5.888 1.00 0.88 O ATOM 632 CB PRO A 42 -13.030 5.354 -8.201 1.00 1.30 C ATOM 633 CG PRO A 42 -12.452 4.977 -9.519 1.00 1.55 C ATOM 634 CD PRO A 42 -11.179 5.773 -9.657 1.00 1.35 C ATOM 0 HA PRO A 42 -13.399 7.521 -8.467 1.00 1.11 H new ATOM 0 HB2 PRO A 42 -12.609 4.754 -7.394 1.00 1.30 H new ATOM 0 HB3 PRO A 42 -14.109 5.203 -8.180 1.00 1.30 H new ATOM 0 HG2 PRO A 42 -12.250 3.907 -9.565 1.00 1.55 H new ATOM 0 HG3 PRO A 42 -13.145 5.206 -10.329 1.00 1.55 H new ATOM 0 HD2 PRO A 42 -10.306 5.185 -9.374 1.00 1.35 H new ATOM 0 HD3 PRO A 42 -11.022 6.103 -10.684 1.00 1.35 H new ATOM 642 N GLY A 43 -11.426 7.569 -6.071 1.00 0.85 N ATOM 643 CA GLY A 43 -11.316 7.963 -4.678 1.00 0.92 C ATOM 644 C GLY A 43 -10.506 7.005 -3.832 1.00 0.75 C ATOM 645 O GLY A 43 -10.613 7.012 -2.605 1.00 1.00 O ATOM 0 H GLY A 43 -10.553 7.587 -6.599 1.00 0.85 H new ATOM 0 HA2 GLY A 43 -10.861 8.952 -4.625 1.00 0.92 H new ATOM 0 HA3 GLY A 43 -12.317 8.049 -4.255 1.00 0.92 H new ATOM 649 N THR A 44 -9.707 6.172 -4.476 1.00 0.54 N ATOM 650 CA THR A 44 -8.895 5.201 -3.757 1.00 0.54 C ATOM 651 C THR A 44 -7.547 5.778 -3.341 1.00 0.43 C ATOM 652 O THR A 44 -7.295 6.975 -3.474 1.00 0.52 O ATOM 653 CB THR A 44 -8.667 3.960 -4.611 1.00 0.73 C ATOM 654 OG1 THR A 44 -7.312 3.551 -4.539 1.00 0.99 O ATOM 655 CG2 THR A 44 -9.007 4.158 -6.071 1.00 0.90 C ATOM 0 H THR A 44 -9.602 6.147 -5.490 1.00 0.54 H new ATOM 0 HA THR A 44 -9.445 4.934 -2.855 1.00 0.54 H new ATOM 0 HB THR A 44 -9.337 3.203 -4.203 1.00 0.73 H new ATOM 0 HG1 THR A 44 -7.148 2.846 -5.200 1.00 0.99 H new ATOM 0 HG21 THR A 44 -8.820 3.233 -6.617 1.00 0.90 H new ATOM 0 HG22 THR A 44 -10.058 4.429 -6.166 1.00 0.90 H new ATOM 0 HG23 THR A 44 -8.388 4.955 -6.484 1.00 0.90 H new ATOM 663 N TYR A 45 -6.688 4.898 -2.838 1.00 0.32 N ATOM 664 CA TYR A 45 -5.353 5.274 -2.394 1.00 0.27 C ATOM 665 C TYR A 45 -4.304 4.358 -3.012 1.00 0.24 C ATOM 666 O TYR A 45 -4.618 3.260 -3.477 1.00 0.27 O ATOM 667 CB TYR A 45 -5.251 5.212 -0.873 1.00 0.38 C ATOM 668 CG TYR A 45 -6.345 5.960 -0.157 1.00 0.39 C ATOM 669 CD1 TYR A 45 -7.652 5.508 -0.207 1.00 1.32 C ATOM 670 CD2 TYR A 45 -6.071 7.108 0.572 1.00 1.18 C ATOM 671 CE1 TYR A 45 -8.664 6.178 0.448 1.00 1.34 C ATOM 672 CE2 TYR A 45 -7.076 7.787 1.234 1.00 1.19 C ATOM 673 CZ TYR A 45 -8.373 7.318 1.168 1.00 0.46 C ATOM 674 OH TYR A 45 -9.379 7.989 1.825 1.00 0.50 O ATOM 0 H TYR A 45 -6.898 3.906 -2.727 1.00 0.32 H new ATOM 0 HA TYR A 45 -5.169 6.298 -2.720 1.00 0.27 H new ATOM 0 HB2 TYR A 45 -5.273 4.168 -0.559 1.00 0.38 H new ATOM 0 HB3 TYR A 45 -4.287 5.617 -0.566 1.00 0.38 H new ATOM 0 HD1 TYR A 45 -7.884 4.615 -0.769 1.00 1.32 H new ATOM 0 HD2 TYR A 45 -5.057 7.477 0.623 1.00 1.18 H new ATOM 0 HE1 TYR A 45 -9.679 5.812 0.397 1.00 1.34 H new ATOM 0 HE2 TYR A 45 -6.849 8.679 1.799 1.00 1.19 H new ATOM 0 HH TYR A 45 -9.005 8.770 2.285 1.00 0.50 H new ATOM 684 N THR A 46 -3.058 4.812 -3.018 1.00 0.24 N ATOM 685 CA THR A 46 -1.964 4.028 -3.576 1.00 0.24 C ATOM 686 C THR A 46 -1.200 3.310 -2.467 1.00 0.22 C ATOM 687 O THR A 46 -1.161 3.784 -1.332 1.00 0.24 O ATOM 688 CB THR A 46 -1.018 4.928 -4.368 1.00 0.27 C ATOM 689 OG1 THR A 46 -1.749 5.866 -5.136 1.00 0.33 O ATOM 690 CG2 THR A 46 -0.122 4.159 -5.314 1.00 0.31 C ATOM 0 H THR A 46 -2.779 5.719 -2.643 1.00 0.24 H new ATOM 0 HA THR A 46 -2.384 3.280 -4.249 1.00 0.24 H new ATOM 0 HB THR A 46 -0.396 5.426 -3.625 1.00 0.27 H new ATOM 0 HG1 THR A 46 -2.296 6.421 -4.541 1.00 0.33 H new ATOM 0 HG21 THR A 46 0.526 4.854 -5.847 1.00 0.31 H new ATOM 0 HG22 THR A 46 0.488 3.456 -4.747 1.00 0.31 H new ATOM 0 HG23 THR A 46 -0.734 3.611 -6.031 1.00 0.31 H new ATOM 698 N VAL A 47 -0.594 2.168 -2.797 1.00 0.22 N ATOM 699 CA VAL A 47 0.165 1.397 -1.820 1.00 0.21 C ATOM 700 C VAL A 47 1.575 1.130 -2.311 1.00 0.23 C ATOM 701 O VAL A 47 1.782 0.389 -3.269 1.00 0.27 O ATOM 702 CB VAL A 47 -0.496 0.045 -1.496 1.00 0.22 C ATOM 703 CG1 VAL A 47 0.482 -0.850 -0.739 1.00 0.71 C ATOM 704 CG2 VAL A 47 -1.776 0.252 -0.701 1.00 0.80 C ATOM 0 H VAL A 47 -0.616 1.760 -3.732 1.00 0.22 H new ATOM 0 HA VAL A 47 0.189 2.004 -0.915 1.00 0.21 H new ATOM 0 HB VAL A 47 -0.760 -0.450 -2.430 1.00 0.22 H new ATOM 0 HG11 VAL A 47 0.004 -1.804 -0.515 1.00 0.71 H new ATOM 0 HG12 VAL A 47 1.366 -1.023 -1.352 1.00 0.71 H new ATOM 0 HG13 VAL A 47 0.775 -0.364 0.191 1.00 0.71 H new ATOM 0 HG21 VAL A 47 -2.229 -0.715 -0.482 1.00 0.80 H new ATOM 0 HG22 VAL A 47 -1.545 0.765 0.233 1.00 0.80 H new ATOM 0 HG23 VAL A 47 -2.473 0.855 -1.284 1.00 0.80 H new ATOM 714 N SER A 48 2.544 1.722 -1.639 1.00 0.25 N ATOM 715 CA SER A 48 3.935 1.528 -1.999 1.00 0.28 C ATOM 716 C SER A 48 4.491 0.324 -1.250 1.00 0.25 C ATOM 717 O SER A 48 4.676 0.372 -0.032 1.00 0.24 O ATOM 718 CB SER A 48 4.753 2.782 -1.673 1.00 0.35 C ATOM 719 OG SER A 48 5.981 2.445 -1.052 1.00 1.30 O ATOM 0 H SER A 48 2.394 2.340 -0.842 1.00 0.25 H new ATOM 0 HA SER A 48 4.003 1.346 -3.072 1.00 0.28 H new ATOM 0 HB2 SER A 48 4.947 3.341 -2.588 1.00 0.35 H new ATOM 0 HB3 SER A 48 4.177 3.435 -1.017 1.00 0.35 H new ATOM 0 HG SER A 48 6.719 2.611 -1.675 1.00 1.30 H new ATOM 725 N VAL A 49 4.750 -0.756 -1.978 1.00 0.27 N ATOM 726 CA VAL A 49 5.282 -1.967 -1.372 1.00 0.28 C ATOM 727 C VAL A 49 6.738 -2.164 -1.780 1.00 0.29 C ATOM 728 O VAL A 49 7.081 -2.059 -2.959 1.00 0.40 O ATOM 729 CB VAL A 49 4.452 -3.203 -1.758 1.00 0.32 C ATOM 730 CG1 VAL A 49 2.989 -3.004 -1.369 1.00 0.31 C ATOM 731 CG2 VAL A 49 4.586 -3.491 -3.245 1.00 0.39 C ATOM 0 H VAL A 49 4.600 -0.816 -2.985 1.00 0.27 H new ATOM 0 HA VAL A 49 5.225 -1.851 -0.290 1.00 0.28 H new ATOM 0 HB VAL A 49 4.835 -4.065 -1.211 1.00 0.32 H new ATOM 0 HG11 VAL A 49 2.415 -3.887 -1.649 1.00 0.31 H new ATOM 0 HG12 VAL A 49 2.916 -2.850 -0.292 1.00 0.31 H new ATOM 0 HG13 VAL A 49 2.590 -2.132 -1.888 1.00 0.31 H new ATOM 0 HG21 VAL A 49 3.992 -4.369 -3.501 1.00 0.39 H new ATOM 0 HG22 VAL A 49 4.230 -2.633 -3.815 1.00 0.39 H new ATOM 0 HG23 VAL A 49 5.632 -3.678 -3.487 1.00 0.39 H new ATOM 741 N PHE A 50 7.597 -2.408 -0.794 1.00 0.25 N ATOM 742 CA PHE A 50 9.024 -2.566 -1.053 1.00 0.27 C ATOM 743 C PHE A 50 9.571 -3.909 -0.581 1.00 0.31 C ATOM 744 O PHE A 50 9.285 -4.360 0.532 1.00 0.35 O ATOM 745 CB PHE A 50 9.789 -1.439 -0.369 1.00 0.29 C ATOM 746 CG PHE A 50 11.232 -1.745 -0.119 1.00 0.31 C ATOM 747 CD1 PHE A 50 11.606 -2.799 0.702 1.00 1.25 C ATOM 748 CD2 PHE A 50 12.219 -0.969 -0.704 1.00 1.22 C ATOM 749 CE1 PHE A 50 12.938 -3.069 0.930 1.00 1.27 C ATOM 750 CE2 PHE A 50 13.550 -1.235 -0.478 1.00 1.25 C ATOM 751 CZ PHE A 50 13.910 -2.285 0.338 1.00 0.47 C ATOM 0 H PHE A 50 7.331 -2.500 0.186 1.00 0.25 H new ATOM 0 HA PHE A 50 9.160 -2.528 -2.134 1.00 0.27 H new ATOM 0 HB2 PHE A 50 9.720 -0.542 -0.984 1.00 0.29 H new ATOM 0 HB3 PHE A 50 9.307 -1.212 0.582 1.00 0.29 H new ATOM 0 HD1 PHE A 50 10.848 -3.412 1.166 1.00 1.25 H new ATOM 0 HD2 PHE A 50 11.941 -0.146 -1.345 1.00 1.22 H new ATOM 0 HE1 PHE A 50 13.222 -3.891 1.570 1.00 1.27 H new ATOM 0 HE2 PHE A 50 14.310 -0.622 -0.939 1.00 1.25 H new ATOM 0 HZ PHE A 50 14.954 -2.496 0.515 1.00 0.47 H new ATOM 761 N THR A 51 10.380 -4.528 -1.441 1.00 0.35 N ATOM 762 CA THR A 51 11.003 -5.809 -1.137 1.00 0.44 C ATOM 763 C THR A 51 12.446 -5.621 -0.692 1.00 0.52 C ATOM 764 O THR A 51 13.241 -4.994 -1.391 1.00 0.72 O ATOM 765 CB THR A 51 10.992 -6.719 -2.362 1.00 0.76 C ATOM 766 OG1 THR A 51 9.703 -7.263 -2.581 1.00 1.04 O ATOM 767 CG2 THR A 51 11.970 -7.869 -2.247 1.00 0.91 C ATOM 0 H THR A 51 10.618 -4.156 -2.360 1.00 0.35 H new ATOM 0 HA THR A 51 10.428 -6.265 -0.331 1.00 0.44 H new ATOM 0 HB THR A 51 11.289 -6.087 -3.199 1.00 0.76 H new ATOM 0 HG1 THR A 51 9.722 -7.841 -3.372 1.00 1.04 H new ATOM 0 HG21 THR A 51 11.918 -8.482 -3.147 1.00 0.91 H new ATOM 0 HG22 THR A 51 12.981 -7.477 -2.133 1.00 0.91 H new ATOM 0 HG23 THR A 51 11.716 -8.477 -1.379 1.00 0.91 H new ATOM 775 N LYS A 52 12.792 -6.189 0.455 1.00 0.71 N ATOM 776 CA LYS A 52 14.156 -6.096 0.952 1.00 1.02 C ATOM 777 C LYS A 52 15.126 -6.609 -0.107 1.00 1.33 C ATOM 778 O LYS A 52 14.775 -7.465 -0.918 1.00 1.41 O ATOM 779 CB LYS A 52 14.319 -6.901 2.244 1.00 1.13 C ATOM 780 CG LYS A 52 13.538 -8.208 2.266 1.00 1.37 C ATOM 781 CD LYS A 52 13.054 -8.609 0.880 1.00 2.00 C ATOM 782 CE LYS A 52 13.487 -10.024 0.526 1.00 3.02 C ATOM 783 NZ LYS A 52 13.894 -10.798 1.731 1.00 3.71 N ATOM 0 H LYS A 52 12.154 -6.714 1.053 1.00 0.71 H new ATOM 0 HA LYS A 52 14.376 -5.051 1.169 1.00 1.02 H new ATOM 0 HB2 LYS A 52 15.377 -7.120 2.392 1.00 1.13 H new ATOM 0 HB3 LYS A 52 14.000 -6.286 3.085 1.00 1.13 H new ATOM 0 HG2 LYS A 52 14.168 -8.999 2.673 1.00 1.37 H new ATOM 0 HG3 LYS A 52 12.682 -8.107 2.933 1.00 1.37 H new ATOM 0 HD2 LYS A 52 11.967 -8.539 0.839 1.00 2.00 H new ATOM 0 HD3 LYS A 52 13.447 -7.911 0.140 1.00 2.00 H new ATOM 0 HE2 LYS A 52 12.668 -10.539 0.023 1.00 3.02 H new ATOM 0 HE3 LYS A 52 14.319 -9.984 -0.178 1.00 3.02 H new ATOM 0 HZ1 LYS A 52 13.936 -11.810 1.496 1.00 3.71 H new ATOM 0 HZ2 LYS A 52 14.831 -10.477 2.050 1.00 3.71 H new ATOM 0 HZ3 LYS A 52 13.200 -10.648 2.491 1.00 3.71 H new ATOM 797 N ALA A 53 16.340 -6.082 -0.108 1.00 1.83 N ATOM 798 CA ALA A 53 17.334 -6.501 -1.084 1.00 2.31 C ATOM 799 C ALA A 53 18.316 -5.374 -1.392 1.00 2.71 C ATOM 800 O ALA A 53 18.083 -4.221 -1.031 1.00 3.07 O ATOM 801 CB ALA A 53 16.639 -6.974 -2.355 1.00 2.50 C ATOM 0 H ALA A 53 16.659 -5.370 0.549 1.00 1.83 H new ATOM 0 HA ALA A 53 17.906 -7.327 -0.663 1.00 2.31 H new ATOM 0 HB1 ALA A 53 17.387 -7.287 -3.084 1.00 2.50 H new ATOM 0 HB2 ALA A 53 15.986 -7.815 -2.121 1.00 2.50 H new ATOM 0 HB3 ALA A 53 16.046 -6.159 -2.771 1.00 2.50 H new ATOM 807 N ILE A 54 19.417 -5.716 -2.056 1.00 2.92 N ATOM 808 CA ILE A 54 20.434 -4.730 -2.405 1.00 3.36 C ATOM 809 C ILE A 54 21.532 -5.348 -3.266 1.00 3.03 C ATOM 810 O ILE A 54 21.375 -5.496 -4.478 1.00 3.57 O ATOM 811 CB ILE A 54 21.072 -4.114 -1.146 1.00 3.99 C ATOM 812 CG1 ILE A 54 21.017 -5.106 0.017 1.00 4.56 C ATOM 813 CG2 ILE A 54 20.371 -2.815 -0.776 1.00 4.49 C ATOM 814 CD1 ILE A 54 22.381 -5.520 0.524 1.00 5.20 C ATOM 0 H ILE A 54 19.627 -6.666 -2.362 1.00 2.92 H new ATOM 0 HA ILE A 54 19.931 -3.946 -2.972 1.00 3.36 H new ATOM 0 HB ILE A 54 22.117 -3.890 -1.359 1.00 3.99 H new ATOM 0 HG12 ILE A 54 20.453 -4.661 0.837 1.00 4.56 H new ATOM 0 HG13 ILE A 54 20.471 -5.995 -0.300 1.00 4.56 H new ATOM 0 HG21 ILE A 54 20.834 -2.393 0.116 1.00 4.49 H new ATOM 0 HG22 ILE A 54 20.458 -2.107 -1.600 1.00 4.49 H new ATOM 0 HG23 ILE A 54 19.318 -3.014 -0.578 1.00 4.49 H new ATOM 0 HD11 ILE A 54 22.265 -6.224 1.348 1.00 5.20 H new ATOM 0 HD12 ILE A 54 22.940 -5.995 -0.282 1.00 5.20 H new ATOM 0 HD13 ILE A 54 22.922 -4.640 0.872 1.00 5.20 H new ATOM 826 N ILE A 55 22.646 -5.702 -2.631 1.00 2.75 N ATOM 827 CA ILE A 55 23.775 -6.300 -3.336 1.00 2.98 C ATOM 828 C ILE A 55 23.760 -5.927 -4.818 1.00 2.76 C ATOM 829 O ILE A 55 23.985 -4.771 -5.175 1.00 3.40 O ATOM 830 CB ILE A 55 23.780 -7.835 -3.193 1.00 3.55 C ATOM 831 CG1 ILE A 55 24.866 -8.451 -4.078 1.00 3.80 C ATOM 832 CG2 ILE A 55 22.413 -8.408 -3.538 1.00 3.70 C ATOM 833 CD1 ILE A 55 26.075 -8.932 -3.305 1.00 4.23 C ATOM 0 H ILE A 55 22.791 -5.585 -1.628 1.00 2.75 H new ATOM 0 HA ILE A 55 24.681 -5.903 -2.879 1.00 2.98 H new ATOM 0 HB ILE A 55 24.002 -8.085 -2.156 1.00 3.55 H new ATOM 0 HG12 ILE A 55 24.441 -9.289 -4.630 1.00 3.80 H new ATOM 0 HG13 ILE A 55 25.185 -7.713 -4.814 1.00 3.80 H new ATOM 0 HG21 ILE A 55 22.436 -9.493 -3.431 1.00 3.70 H new ATOM 0 HG22 ILE A 55 21.664 -7.993 -2.864 1.00 3.70 H new ATOM 0 HG23 ILE A 55 22.159 -8.150 -4.566 1.00 3.70 H new ATOM 0 HD11 ILE A 55 26.803 -9.357 -3.996 1.00 4.23 H new ATOM 0 HD12 ILE A 55 26.525 -8.093 -2.774 1.00 4.23 H new ATOM 0 HD13 ILE A 55 25.769 -9.693 -2.588 1.00 4.23 H new ATOM 845 N SER A 56 23.492 -6.907 -5.676 1.00 2.60 N ATOM 846 CA SER A 56 23.447 -6.671 -7.115 1.00 3.18 C ATOM 847 C SER A 56 22.008 -6.512 -7.589 1.00 3.15 C ATOM 848 O SER A 56 21.720 -6.620 -8.781 1.00 4.09 O ATOM 849 CB SER A 56 24.121 -7.823 -7.863 1.00 3.90 C ATOM 850 OG SER A 56 23.501 -9.060 -7.560 1.00 4.38 O ATOM 0 H SER A 56 23.303 -7.871 -5.400 1.00 2.60 H new ATOM 0 HA SER A 56 23.986 -5.748 -7.327 1.00 3.18 H new ATOM 0 HB2 SER A 56 24.072 -7.642 -8.937 1.00 3.90 H new ATOM 0 HB3 SER A 56 25.177 -7.867 -7.595 1.00 3.90 H new ATOM 0 HG SER A 56 22.584 -9.060 -7.905 1.00 4.38 H new ATOM 856 N GLU A 57 21.110 -6.258 -6.641 1.00 2.47 N ATOM 857 CA GLU A 57 19.693 -6.084 -6.939 1.00 2.96 C ATOM 858 C GLU A 57 18.860 -7.138 -6.217 1.00 2.72 C ATOM 859 O GLU A 57 19.404 -8.078 -5.638 1.00 3.38 O ATOM 860 CB GLU A 57 19.440 -6.153 -8.448 1.00 4.03 C ATOM 861 CG GLU A 57 19.538 -7.555 -9.032 1.00 4.82 C ATOM 862 CD GLU A 57 19.983 -8.589 -8.016 1.00 5.59 C ATOM 863 OE1 GLU A 57 21.206 -8.738 -7.815 1.00 6.10 O ATOM 864 OE2 GLU A 57 19.107 -9.253 -7.423 1.00 6.04 O ATOM 0 H GLU A 57 21.342 -6.168 -5.652 1.00 2.47 H new ATOM 0 HA GLU A 57 19.393 -5.098 -6.585 1.00 2.96 H new ATOM 0 HB2 GLU A 57 18.448 -5.752 -8.658 1.00 4.03 H new ATOM 0 HB3 GLU A 57 20.158 -5.509 -8.956 1.00 4.03 H new ATOM 0 HG2 GLU A 57 18.567 -7.844 -9.435 1.00 4.82 H new ATOM 0 HG3 GLU A 57 20.240 -7.547 -9.866 1.00 4.82 H new ATOM 871 N ASN A 58 17.542 -6.976 -6.254 1.00 2.29 N ATOM 872 CA ASN A 58 16.637 -7.915 -5.602 1.00 2.61 C ATOM 873 C ASN A 58 15.505 -7.183 -4.887 1.00 2.03 C ATOM 874 O ASN A 58 14.425 -7.739 -4.688 1.00 2.11 O ATOM 875 CB ASN A 58 17.400 -8.789 -4.605 1.00 3.06 C ATOM 876 CG ASN A 58 18.028 -10.002 -5.262 1.00 4.02 C ATOM 877 OD1 ASN A 58 17.291 -10.631 -6.170 1.00 4.58 O flip ATOM 878 ND2 ASN A 58 19.163 -10.369 -4.959 1.00 4.63 N flip ATOM 0 H ASN A 58 17.076 -6.203 -6.729 1.00 2.29 H new ATOM 0 HA ASN A 58 16.203 -8.549 -6.375 1.00 2.61 H new ATOM 0 HB2 ASN A 58 18.178 -8.195 -4.126 1.00 3.06 H new ATOM 0 HB3 ASN A 58 16.720 -9.116 -3.818 1.00 3.06 H new ATOM 0 HD21 ASN A 58 19.694 -9.856 -4.256 1.00 4.63 H new ATOM 0 HD22 ASN A 58 19.572 -11.186 -5.411 1.00 4.63 H new ATOM 885 N PRO A 59 15.734 -5.919 -4.492 1.00 1.67 N ATOM 886 CA PRO A 59 14.733 -5.117 -3.805 1.00 1.18 C ATOM 887 C PRO A 59 13.827 -4.384 -4.784 1.00 1.01 C ATOM 888 O PRO A 59 14.230 -3.399 -5.403 1.00 1.28 O ATOM 889 CB PRO A 59 15.583 -4.135 -3.008 1.00 1.38 C ATOM 890 CG PRO A 59 16.816 -3.936 -3.831 1.00 1.98 C ATOM 891 CD PRO A 59 16.986 -5.169 -4.691 1.00 2.06 C ATOM 0 HA PRO A 59 14.058 -5.713 -3.191 1.00 1.18 H new ATOM 0 HB2 PRO A 59 15.056 -3.194 -2.851 1.00 1.38 H new ATOM 0 HB3 PRO A 59 15.826 -4.532 -2.022 1.00 1.38 H new ATOM 0 HG2 PRO A 59 16.724 -3.044 -4.451 1.00 1.98 H new ATOM 0 HG3 PRO A 59 17.686 -3.791 -3.191 1.00 1.98 H new ATOM 0 HD2 PRO A 59 17.132 -4.907 -5.739 1.00 2.06 H new ATOM 0 HD3 PRO A 59 17.854 -5.753 -4.384 1.00 2.06 H new ATOM 899 N CYS A 60 12.606 -4.882 -4.932 1.00 0.69 N ATOM 900 CA CYS A 60 11.648 -4.285 -5.852 1.00 0.63 C ATOM 901 C CYS A 60 10.510 -3.593 -5.112 1.00 0.56 C ATOM 902 O CYS A 60 9.818 -4.208 -4.301 1.00 0.58 O ATOM 903 CB CYS A 60 11.073 -5.356 -6.780 1.00 0.77 C ATOM 904 SG CYS A 60 12.317 -6.228 -7.761 1.00 1.97 S ATOM 0 H CYS A 60 12.257 -5.697 -4.427 1.00 0.69 H new ATOM 0 HA CYS A 60 12.180 -3.534 -6.436 1.00 0.63 H new ATOM 0 HB2 CYS A 60 10.523 -6.082 -6.182 1.00 0.77 H new ATOM 0 HB3 CYS A 60 10.355 -4.890 -7.455 1.00 0.77 H new ATOM 0 HG CYS A 60 11.734 -7.115 -8.512 1.00 1.97 H new ATOM 910 N ILE A 61 10.307 -2.317 -5.420 1.00 0.55 N ATOM 911 CA ILE A 61 9.233 -1.549 -4.807 1.00 0.51 C ATOM 912 C ILE A 61 8.061 -1.443 -5.765 1.00 0.55 C ATOM 913 O ILE A 61 8.199 -0.930 -6.875 1.00 0.83 O ATOM 914 CB ILE A 61 9.679 -0.132 -4.412 1.00 0.52 C ATOM 915 CG1 ILE A 61 10.827 -0.200 -3.404 1.00 0.49 C ATOM 916 CG2 ILE A 61 8.500 0.646 -3.839 1.00 0.59 C ATOM 917 CD1 ILE A 61 12.048 -0.920 -3.933 1.00 0.54 C ATOM 0 H ILE A 61 10.872 -1.794 -6.090 1.00 0.55 H new ATOM 0 HA ILE A 61 8.942 -2.078 -3.900 1.00 0.51 H new ATOM 0 HB ILE A 61 10.036 0.389 -5.300 1.00 0.52 H new ATOM 0 HG12 ILE A 61 11.108 0.813 -3.115 1.00 0.49 H new ATOM 0 HG13 ILE A 61 10.480 -0.704 -2.502 1.00 0.49 H new ATOM 0 HG21 ILE A 61 8.826 1.649 -3.562 1.00 0.59 H new ATOM 0 HG22 ILE A 61 7.711 0.715 -4.588 1.00 0.59 H new ATOM 0 HG23 ILE A 61 8.119 0.132 -2.957 1.00 0.59 H new ATOM 0 HD11 ILE A 61 12.824 -0.932 -3.167 1.00 0.54 H new ATOM 0 HD12 ILE A 61 11.781 -1.944 -4.195 1.00 0.54 H new ATOM 0 HD13 ILE A 61 12.420 -0.404 -4.818 1.00 0.54 H new ATOM 929 N LYS A 62 6.911 -1.941 -5.341 1.00 0.44 N ATOM 930 CA LYS A 62 5.726 -1.908 -6.181 1.00 0.49 C ATOM 931 C LYS A 62 4.652 -1.006 -5.587 1.00 0.40 C ATOM 932 O LYS A 62 4.314 -1.114 -4.406 1.00 0.34 O ATOM 933 CB LYS A 62 5.181 -3.322 -6.374 1.00 0.60 C ATOM 934 CG LYS A 62 6.266 -4.376 -6.522 1.00 0.92 C ATOM 935 CD LYS A 62 5.742 -5.622 -7.218 1.00 1.37 C ATOM 936 CE LYS A 62 4.864 -5.269 -8.408 1.00 1.35 C ATOM 937 NZ LYS A 62 3.418 -5.473 -8.111 1.00 1.07 N ATOM 0 H LYS A 62 6.773 -2.370 -4.426 1.00 0.44 H new ATOM 0 HA LYS A 62 6.010 -1.498 -7.150 1.00 0.49 H new ATOM 0 HB2 LYS A 62 4.550 -3.579 -5.523 1.00 0.60 H new ATOM 0 HB3 LYS A 62 4.545 -3.340 -7.259 1.00 0.60 H new ATOM 0 HG2 LYS A 62 7.100 -3.964 -7.091 1.00 0.92 H new ATOM 0 HG3 LYS A 62 6.652 -4.643 -5.538 1.00 0.92 H new ATOM 0 HD2 LYS A 62 6.581 -6.233 -7.552 1.00 1.37 H new ATOM 0 HD3 LYS A 62 5.172 -6.223 -6.510 1.00 1.37 H new ATOM 0 HE2 LYS A 62 5.034 -4.230 -8.689 1.00 1.35 H new ATOM 0 HE3 LYS A 62 5.149 -5.881 -9.264 1.00 1.35 H new ATOM 0 HZ1 LYS A 62 2.855 -4.766 -8.626 1.00 1.07 H new ATOM 0 HZ2 LYS A 62 3.133 -6.428 -8.410 1.00 1.07 H new ATOM 0 HZ3 LYS A 62 3.255 -5.368 -7.089 1.00 1.07 H new ATOM 951 N HIS A 63 4.117 -0.117 -6.417 1.00 0.44 N ATOM 952 CA HIS A 63 3.079 0.800 -5.983 1.00 0.40 C ATOM 953 C HIS A 63 1.700 0.212 -6.276 1.00 0.37 C ATOM 954 O HIS A 63 1.253 0.195 -7.423 1.00 0.43 O ATOM 955 CB HIS A 63 3.235 2.143 -6.693 1.00 0.51 C ATOM 956 CG HIS A 63 4.617 2.709 -6.606 1.00 0.56 C ATOM 957 ND1 HIS A 63 5.206 3.120 -5.431 1.00 0.75 N ATOM 958 CD2 HIS A 63 5.535 2.929 -7.582 1.00 0.66 C ATOM 959 CE1 HIS A 63 6.435 3.567 -5.721 1.00 0.85 C ATOM 960 NE2 HIS A 63 6.684 3.472 -7.013 1.00 0.80 N ATOM 0 H HIS A 63 4.388 -0.015 -7.395 1.00 0.44 H new ATOM 0 HA HIS A 63 3.175 0.954 -4.908 1.00 0.40 H new ATOM 0 HB2 HIS A 63 2.966 2.023 -7.742 1.00 0.51 H new ATOM 0 HB3 HIS A 63 2.532 2.856 -6.263 1.00 0.51 H new ATOM 0 HD2 HIS A 63 5.396 2.717 -8.632 1.00 0.66 H new ATOM 0 HE1 HIS A 63 7.131 3.955 -4.992 1.00 0.85 H new ATOM 0 HE2 HIS A 63 7.541 3.741 -7.496 1.00 0.80 H new ATOM 968 N TYR A 64 1.042 -0.283 -5.236 1.00 0.31 N ATOM 969 CA TYR A 64 -0.276 -0.891 -5.378 1.00 0.30 C ATOM 970 C TYR A 64 -1.393 0.088 -5.071 1.00 0.27 C ATOM 971 O TYR A 64 -1.506 0.580 -3.951 1.00 0.24 O ATOM 972 CB TYR A 64 -0.391 -2.090 -4.443 1.00 0.33 C ATOM 973 CG TYR A 64 0.699 -3.092 -4.651 1.00 0.39 C ATOM 974 CD1 TYR A 64 1.512 -3.021 -5.763 1.00 1.03 C ATOM 975 CD2 TYR A 64 0.910 -4.103 -3.738 1.00 0.91 C ATOM 976 CE1 TYR A 64 2.517 -3.941 -5.967 1.00 1.06 C ATOM 977 CE2 TYR A 64 1.913 -5.034 -3.927 1.00 1.03 C ATOM 978 CZ TYR A 64 2.715 -4.949 -5.046 1.00 0.66 C ATOM 979 OH TYR A 64 3.715 -5.872 -5.244 1.00 0.82 O ATOM 0 H TYR A 64 1.400 -0.276 -4.281 1.00 0.31 H new ATOM 0 HA TYR A 64 -0.380 -1.205 -6.417 1.00 0.30 H new ATOM 0 HB2 TYR A 64 -0.367 -1.743 -3.410 1.00 0.33 H new ATOM 0 HB3 TYR A 64 -1.356 -2.573 -4.595 1.00 0.33 H new ATOM 0 HD1 TYR A 64 1.358 -2.232 -6.485 1.00 1.03 H new ATOM 0 HD2 TYR A 64 0.282 -4.168 -2.862 1.00 0.91 H new ATOM 0 HE1 TYR A 64 3.146 -3.874 -6.842 1.00 1.06 H new ATOM 0 HE2 TYR A 64 2.068 -5.822 -3.205 1.00 1.03 H new ATOM 0 HH TYR A 64 3.355 -6.646 -5.726 1.00 0.82 H new ATOM 989 N HIS A 65 -2.242 0.345 -6.057 1.00 0.29 N ATOM 990 CA HIS A 65 -3.364 1.240 -5.849 1.00 0.27 C ATOM 991 C HIS A 65 -4.562 0.466 -5.356 1.00 0.27 C ATOM 992 O HIS A 65 -4.780 -0.680 -5.750 1.00 0.47 O ATOM 993 CB HIS A 65 -3.741 2.010 -7.108 1.00 0.31 C ATOM 994 CG HIS A 65 -4.075 3.424 -6.815 1.00 0.36 C ATOM 995 ND1 HIS A 65 -4.076 3.947 -5.552 1.00 0.67 N ATOM 996 CD2 HIS A 65 -4.431 4.426 -7.641 1.00 0.85 C ATOM 997 CE1 HIS A 65 -4.426 5.228 -5.643 1.00 0.59 C ATOM 998 NE2 HIS A 65 -4.654 5.576 -6.893 1.00 0.85 N ATOM 0 H HIS A 65 -2.174 -0.049 -6.995 1.00 0.29 H new ATOM 0 HA HIS A 65 -3.052 1.968 -5.100 1.00 0.27 H new ATOM 0 HB2 HIS A 65 -2.914 1.972 -7.817 1.00 0.31 H new ATOM 0 HB3 HIS A 65 -4.593 1.528 -7.586 1.00 0.31 H new ATOM 0 HD1 HIS A 65 -3.849 3.445 -4.693 1.00 0.67 H new ATOM 0 HD2 HIS A 65 -4.528 4.348 -8.714 1.00 0.85 H new ATOM 0 HE1 HIS A 65 -4.512 5.897 -4.799 1.00 0.59 H new ATOM 1006 N ILE A 66 -5.341 1.091 -4.494 1.00 0.26 N ATOM 1007 CA ILE A 66 -6.518 0.436 -3.961 1.00 0.26 C ATOM 1008 C ILE A 66 -7.719 0.705 -4.848 1.00 0.28 C ATOM 1009 O ILE A 66 -8.298 1.783 -4.815 1.00 0.30 O ATOM 1010 CB ILE A 66 -6.829 0.899 -2.523 1.00 0.28 C ATOM 1011 CG1 ILE A 66 -5.614 1.580 -1.894 1.00 0.33 C ATOM 1012 CG2 ILE A 66 -7.260 -0.283 -1.673 1.00 0.36 C ATOM 1013 CD1 ILE A 66 -4.291 0.973 -2.311 1.00 0.46 C ATOM 0 H ILE A 66 -5.183 2.039 -4.152 1.00 0.26 H new ATOM 0 HA ILE A 66 -6.310 -0.634 -3.938 1.00 0.26 H new ATOM 0 HB ILE A 66 -7.643 1.622 -2.568 1.00 0.28 H new ATOM 0 HG12 ILE A 66 -5.620 2.636 -2.164 1.00 0.33 H new ATOM 0 HG13 ILE A 66 -5.701 1.528 -0.809 1.00 0.33 H new ATOM 0 HG21 ILE A 66 -7.477 0.057 -0.660 1.00 0.36 H new ATOM 0 HG22 ILE A 66 -8.154 -0.734 -2.103 1.00 0.36 H new ATOM 0 HG23 ILE A 66 -6.459 -1.022 -1.644 1.00 0.36 H new ATOM 0 HD11 ILE A 66 -3.476 1.509 -1.825 1.00 0.46 H new ATOM 0 HD12 ILE A 66 -4.263 -0.076 -2.016 1.00 0.46 H new ATOM 0 HD13 ILE A 66 -4.181 1.049 -3.393 1.00 0.46 H new ATOM 1025 N LYS A 67 -8.101 -0.287 -5.636 1.00 0.31 N ATOM 1026 CA LYS A 67 -9.244 -0.144 -6.517 1.00 0.36 C ATOM 1027 C LYS A 67 -10.511 -0.018 -5.684 1.00 0.35 C ATOM 1028 O LYS A 67 -10.576 -0.555 -4.575 1.00 0.34 O ATOM 1029 CB LYS A 67 -9.343 -1.338 -7.469 1.00 0.44 C ATOM 1030 CG LYS A 67 -10.313 -1.120 -8.620 1.00 0.48 C ATOM 1031 CD LYS A 67 -9.637 -0.441 -9.800 1.00 0.96 C ATOM 1032 CE LYS A 67 -8.875 0.801 -9.368 1.00 1.12 C ATOM 1033 NZ LYS A 67 -8.168 1.446 -10.509 1.00 1.87 N ATOM 0 H LYS A 67 -7.638 -1.195 -5.682 1.00 0.31 H new ATOM 0 HA LYS A 67 -9.121 0.756 -7.119 1.00 0.36 H new ATOM 0 HB2 LYS A 67 -8.354 -1.552 -7.874 1.00 0.44 H new ATOM 0 HB3 LYS A 67 -9.654 -2.217 -6.905 1.00 0.44 H new ATOM 0 HG2 LYS A 67 -10.723 -2.079 -8.937 1.00 0.48 H new ATOM 0 HG3 LYS A 67 -11.151 -0.511 -8.280 1.00 0.48 H new ATOM 0 HD2 LYS A 67 -8.952 -1.140 -10.280 1.00 0.96 H new ATOM 0 HD3 LYS A 67 -10.387 -0.169 -10.543 1.00 0.96 H new ATOM 0 HE2 LYS A 67 -9.568 1.514 -8.921 1.00 1.12 H new ATOM 0 HE3 LYS A 67 -8.152 0.533 -8.598 1.00 1.12 H new ATOM 0 HZ1 LYS A 67 -7.661 2.289 -10.171 1.00 1.87 H new ATOM 0 HZ2 LYS A 67 -7.488 0.775 -10.920 1.00 1.87 H new ATOM 0 HZ3 LYS A 67 -8.860 1.725 -11.233 1.00 1.87 H new ATOM 1047 N GLU A 68 -11.500 0.699 -6.220 1.00 0.39 N ATOM 1048 CA GLU A 68 -12.771 0.920 -5.529 1.00 0.42 C ATOM 1049 C GLU A 68 -13.915 0.234 -6.271 1.00 0.45 C ATOM 1050 O GLU A 68 -13.984 0.281 -7.499 1.00 0.50 O ATOM 1051 CB GLU A 68 -13.061 2.424 -5.436 1.00 0.51 C ATOM 1052 CG GLU A 68 -12.337 3.132 -4.301 1.00 0.60 C ATOM 1053 CD GLU A 68 -13.272 3.975 -3.456 1.00 1.23 C ATOM 1054 OE1 GLU A 68 -14.484 3.998 -3.756 1.00 2.11 O ATOM 1055 OE2 GLU A 68 -12.792 4.611 -2.494 1.00 1.71 O ATOM 0 H GLU A 68 -11.444 1.140 -7.138 1.00 0.39 H new ATOM 0 HA GLU A 68 -12.693 0.496 -4.528 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -12.782 2.895 -6.379 1.00 0.51 H new ATOM 0 HB3 GLU A 68 -14.134 2.568 -5.313 1.00 0.51 H new ATOM 0 HG2 GLU A 68 -11.848 2.392 -3.668 1.00 0.60 H new ATOM 0 HG3 GLU A 68 -11.553 3.767 -4.714 1.00 0.60 H new ATOM 1062 N THR A 69 -14.814 -0.402 -5.521 1.00 0.47 N ATOM 1063 CA THR A 69 -15.949 -1.091 -6.122 1.00 0.54 C ATOM 1064 C THR A 69 -17.176 -0.989 -5.226 1.00 0.66 C ATOM 1065 O THR A 69 -17.298 -1.719 -4.245 1.00 1.19 O ATOM 1066 CB THR A 69 -15.607 -2.559 -6.376 1.00 0.59 C ATOM 1067 OG1 THR A 69 -16.422 -3.407 -5.587 1.00 1.01 O ATOM 1068 CG2 THR A 69 -14.164 -2.895 -6.071 1.00 0.77 C ATOM 0 H THR A 69 -14.777 -0.453 -4.503 1.00 0.47 H new ATOM 0 HA THR A 69 -16.174 -0.611 -7.074 1.00 0.54 H new ATOM 0 HB THR A 69 -15.785 -2.719 -7.439 1.00 0.59 H new ATOM 0 HG1 THR A 69 -16.400 -3.107 -4.654 1.00 1.01 H new ATOM 0 HG21 THR A 69 -13.986 -3.951 -6.272 1.00 0.77 H new ATOM 0 HG22 THR A 69 -13.509 -2.291 -6.699 1.00 0.77 H new ATOM 0 HG23 THR A 69 -13.955 -2.685 -5.022 1.00 0.77 H new ATOM 1076 N ASN A 70 -18.077 -0.074 -5.569 1.00 0.89 N ATOM 1077 CA ASN A 70 -19.297 0.133 -4.794 1.00 0.99 C ATOM 1078 C ASN A 70 -19.892 -1.195 -4.333 1.00 1.04 C ATOM 1079 O ASN A 70 -20.964 -1.595 -4.787 1.00 1.16 O ATOM 1080 CB ASN A 70 -20.329 0.904 -5.621 1.00 1.17 C ATOM 1081 CG ASN A 70 -19.778 1.361 -6.958 1.00 1.94 C ATOM 1082 OD1 ASN A 70 -19.502 2.544 -7.157 1.00 2.63 O ATOM 1083 ND2 ASN A 70 -19.615 0.423 -7.884 1.00 2.70 N ATOM 0 H ASN A 70 -17.986 0.538 -6.380 1.00 0.89 H new ATOM 0 HA ASN A 70 -19.035 0.716 -3.911 1.00 0.99 H new ATOM 0 HB2 ASN A 70 -21.201 0.272 -5.788 1.00 1.17 H new ATOM 0 HB3 ASN A 70 -20.668 1.772 -5.055 1.00 1.17 H new ATOM 0 HD21 ASN A 70 -19.248 0.672 -8.803 1.00 2.70 H new ATOM 0 HD22 ASN A 70 -19.857 -0.546 -7.676 1.00 2.70 H new ATOM 1090 N ASP A 71 -19.196 -1.871 -3.424 1.00 1.16 N ATOM 1091 CA ASP A 71 -19.663 -3.148 -2.901 1.00 1.34 C ATOM 1092 C ASP A 71 -20.514 -2.936 -1.656 1.00 1.15 C ATOM 1093 O ASP A 71 -21.146 -1.891 -1.497 1.00 1.87 O ATOM 1094 CB ASP A 71 -18.480 -4.065 -2.584 1.00 2.06 C ATOM 1095 CG ASP A 71 -18.866 -5.532 -2.603 1.00 2.96 C ATOM 1096 OD1 ASP A 71 -19.479 -5.997 -1.619 1.00 3.56 O ATOM 1097 OD2 ASP A 71 -18.555 -6.214 -3.602 1.00 3.52 O ATOM 0 H ASP A 71 -18.307 -1.555 -3.035 1.00 1.16 H new ATOM 0 HA ASP A 71 -20.277 -3.626 -3.665 1.00 1.34 H new ATOM 0 HB2 ASP A 71 -17.685 -3.892 -3.309 1.00 2.06 H new ATOM 0 HB3 ASP A 71 -18.078 -3.810 -1.603 1.00 2.06 H new ATOM 1102 N SER A 72 -20.534 -3.930 -0.778 1.00 1.25 N ATOM 1103 CA SER A 72 -21.319 -3.840 0.446 1.00 1.91 C ATOM 1104 C SER A 72 -20.555 -4.384 1.649 1.00 2.22 C ATOM 1105 O SER A 72 -20.926 -5.411 2.217 1.00 2.72 O ATOM 1106 CB SER A 72 -22.637 -4.600 0.284 1.00 2.58 C ATOM 1107 OG SER A 72 -22.436 -5.834 -0.383 1.00 2.74 O ATOM 0 H SER A 72 -20.019 -4.803 -0.889 1.00 1.25 H new ATOM 0 HA SER A 72 -21.524 -2.785 0.627 1.00 1.91 H new ATOM 0 HB2 SER A 72 -23.079 -4.781 1.264 1.00 2.58 H new ATOM 0 HB3 SER A 72 -23.345 -3.991 -0.278 1.00 2.58 H new ATOM 0 HG SER A 72 -23.293 -6.301 -0.473 1.00 2.74 H new ATOM 1113 N PRO A 73 -19.473 -3.701 2.056 1.00 2.32 N ATOM 1114 CA PRO A 73 -18.994 -2.484 1.418 1.00 2.18 C ATOM 1115 C PRO A 73 -17.867 -2.754 0.423 1.00 1.46 C ATOM 1116 O PRO A 73 -17.842 -2.199 -0.675 1.00 1.94 O ATOM 1117 CB PRO A 73 -18.464 -1.707 2.617 1.00 2.97 C ATOM 1118 CG PRO A 73 -17.922 -2.758 3.540 1.00 3.30 C ATOM 1119 CD PRO A 73 -18.616 -4.061 3.194 1.00 3.02 C ATOM 0 HA PRO A 73 -19.761 -1.974 0.836 1.00 2.18 H new ATOM 0 HB2 PRO A 73 -17.688 -1.001 2.320 1.00 2.97 H new ATOM 0 HB3 PRO A 73 -19.254 -1.129 3.095 1.00 2.97 H new ATOM 0 HG2 PRO A 73 -16.843 -2.854 3.422 1.00 3.30 H new ATOM 0 HG3 PRO A 73 -18.106 -2.489 4.580 1.00 3.30 H new ATOM 0 HD2 PRO A 73 -17.900 -4.839 2.927 1.00 3.02 H new ATOM 0 HD3 PRO A 73 -19.200 -4.440 4.033 1.00 3.02 H new ATOM 1127 N LYS A 74 -16.934 -3.612 0.829 1.00 0.87 N ATOM 1128 CA LYS A 74 -15.788 -3.976 0.001 1.00 0.70 C ATOM 1129 C LYS A 74 -15.743 -3.178 -1.293 1.00 0.66 C ATOM 1130 O LYS A 74 -16.124 -3.665 -2.356 1.00 0.96 O ATOM 1131 CB LYS A 74 -15.810 -5.476 -0.298 1.00 1.18 C ATOM 1132 CG LYS A 74 -16.257 -6.322 0.883 1.00 1.32 C ATOM 1133 CD LYS A 74 -17.683 -6.817 0.708 1.00 1.46 C ATOM 1134 CE LYS A 74 -17.768 -7.896 -0.360 1.00 2.24 C ATOM 1135 NZ LYS A 74 -18.522 -9.089 0.115 1.00 2.79 N ATOM 0 H LYS A 74 -16.951 -4.073 1.739 1.00 0.87 H new ATOM 0 HA LYS A 74 -14.886 -3.734 0.563 1.00 0.70 H new ATOM 0 HB2 LYS A 74 -16.476 -5.661 -1.140 1.00 1.18 H new ATOM 0 HB3 LYS A 74 -14.813 -5.792 -0.605 1.00 1.18 H new ATOM 0 HG2 LYS A 74 -15.587 -7.174 0.995 1.00 1.32 H new ATOM 0 HG3 LYS A 74 -16.184 -5.736 1.799 1.00 1.32 H new ATOM 0 HD2 LYS A 74 -18.052 -7.210 1.655 1.00 1.46 H new ATOM 0 HD3 LYS A 74 -18.329 -5.982 0.436 1.00 1.46 H new ATOM 0 HE2 LYS A 74 -18.252 -7.490 -1.248 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -16.762 -8.196 -0.654 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -18.557 -9.801 -0.642 1.00 2.79 H new ATOM 0 HZ2 LYS A 74 -18.046 -9.492 0.947 1.00 2.79 H new ATOM 0 HZ3 LYS A 74 -19.490 -8.808 0.372 1.00 2.79 H new ATOM 1149 N ARG A 75 -15.254 -1.949 -1.188 1.00 0.53 N ATOM 1150 CA ARG A 75 -15.132 -1.068 -2.335 1.00 0.53 C ATOM 1151 C ARG A 75 -13.701 -1.040 -2.852 1.00 0.45 C ATOM 1152 O ARG A 75 -13.459 -1.167 -4.051 1.00 0.45 O ATOM 1153 CB ARG A 75 -15.562 0.346 -1.959 1.00 0.61 C ATOM 1154 CG ARG A 75 -17.038 0.600 -2.183 1.00 1.11 C ATOM 1155 CD ARG A 75 -17.523 1.796 -1.384 1.00 1.02 C ATOM 1156 NE ARG A 75 -17.513 1.528 0.050 1.00 1.51 N ATOM 1157 CZ ARG A 75 -18.232 2.215 0.932 1.00 2.10 C ATOM 1158 NH1 ARG A 75 -19.007 3.212 0.526 1.00 1.94 N ATOM 1159 NH2 ARG A 75 -18.177 1.904 2.220 1.00 3.22 N ATOM 0 H ARG A 75 -14.934 -1.540 -0.310 1.00 0.53 H new ATOM 0 HA ARG A 75 -15.781 -1.451 -3.123 1.00 0.53 H new ATOM 0 HB2 ARG A 75 -15.324 0.524 -0.910 1.00 0.61 H new ATOM 0 HB3 ARG A 75 -14.984 1.062 -2.543 1.00 0.61 H new ATOM 0 HG2 ARG A 75 -17.222 0.771 -3.244 1.00 1.11 H new ATOM 0 HG3 ARG A 75 -17.608 -0.285 -1.899 1.00 1.11 H new ATOM 0 HD2 ARG A 75 -16.890 2.657 -1.598 1.00 1.02 H new ATOM 0 HD3 ARG A 75 -18.533 2.058 -1.698 1.00 1.02 H new ATOM 0 HE ARG A 75 -16.922 0.772 0.395 1.00 1.51 H new ATOM 0 HH11 ARG A 75 -19.052 3.452 -0.464 1.00 1.94 H new ATOM 0 HH12 ARG A 75 -19.558 3.738 1.204 1.00 1.94 H new ATOM 0 HH21 ARG A 75 -17.583 1.137 2.535 1.00 3.22 H new ATOM 0 HH22 ARG A 75 -18.729 2.432 2.896 1.00 3.22 H new ATOM 1173 N TYR A 76 -12.757 -0.834 -1.946 1.00 0.41 N ATOM 1174 CA TYR A 76 -11.356 -0.741 -2.322 1.00 0.36 C ATOM 1175 C TYR A 76 -10.678 -2.105 -2.350 1.00 0.34 C ATOM 1176 O TYR A 76 -11.037 -3.011 -1.597 1.00 0.36 O ATOM 1177 CB TYR A 76 -10.639 0.199 -1.362 1.00 0.36 C ATOM 1178 CG TYR A 76 -11.505 1.365 -0.981 1.00 0.41 C ATOM 1179 CD1 TYR A 76 -12.708 1.574 -1.631 1.00 0.91 C ATOM 1180 CD2 TYR A 76 -11.137 2.238 0.025 1.00 1.01 C ATOM 1181 CE1 TYR A 76 -13.528 2.619 -1.295 1.00 0.95 C ATOM 1182 CE2 TYR A 76 -11.953 3.296 0.377 1.00 1.06 C ATOM 1183 CZ TYR A 76 -13.152 3.483 -0.286 1.00 0.56 C ATOM 1184 OH TYR A 76 -13.970 4.535 0.058 1.00 0.64 O ATOM 0 H TYR A 76 -12.936 -0.728 -0.947 1.00 0.41 H new ATOM 0 HA TYR A 76 -11.300 -0.343 -3.335 1.00 0.36 H new ATOM 0 HB2 TYR A 76 -10.349 -0.348 -0.465 1.00 0.36 H new ATOM 0 HB3 TYR A 76 -9.721 0.562 -1.825 1.00 0.36 H new ATOM 0 HD1 TYR A 76 -13.007 0.900 -2.420 1.00 0.91 H new ATOM 0 HD2 TYR A 76 -10.200 2.092 0.542 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -14.462 2.766 -1.816 1.00 0.95 H new ATOM 0 HE2 TYR A 76 -11.656 3.973 1.165 1.00 1.06 H new ATOM 0 HH TYR A 76 -14.023 5.167 -0.690 1.00 0.64 H new ATOM 1194 N TYR A 77 -9.691 -2.235 -3.229 1.00 0.32 N ATOM 1195 CA TYR A 77 -8.940 -3.488 -3.374 1.00 0.32 C ATOM 1196 C TYR A 77 -7.749 -3.307 -4.314 1.00 0.36 C ATOM 1197 O TYR A 77 -7.670 -2.324 -5.042 1.00 0.50 O ATOM 1198 CB TYR A 77 -9.848 -4.601 -3.902 1.00 0.39 C ATOM 1199 CG TYR A 77 -10.251 -4.416 -5.345 1.00 0.40 C ATOM 1200 CD1 TYR A 77 -11.158 -3.428 -5.705 1.00 1.20 C ATOM 1201 CD2 TYR A 77 -9.719 -5.219 -6.350 1.00 1.27 C ATOM 1202 CE1 TYR A 77 -11.530 -3.245 -7.021 1.00 1.20 C ATOM 1203 CE2 TYR A 77 -10.086 -5.037 -7.671 1.00 1.31 C ATOM 1204 CZ TYR A 77 -10.991 -4.050 -8.001 1.00 0.46 C ATOM 1205 OH TYR A 77 -11.358 -3.869 -9.315 1.00 0.51 O ATOM 0 H TYR A 77 -9.388 -1.490 -3.856 1.00 0.32 H new ATOM 0 HA TYR A 77 -8.568 -3.768 -2.389 1.00 0.32 H new ATOM 0 HB2 TYR A 77 -9.336 -5.558 -3.796 1.00 0.39 H new ATOM 0 HB3 TYR A 77 -10.746 -4.650 -3.286 1.00 0.39 H new ATOM 0 HD1 TYR A 77 -11.580 -2.791 -4.941 1.00 1.20 H new ATOM 0 HD2 TYR A 77 -9.011 -5.994 -6.095 1.00 1.27 H new ATOM 0 HE1 TYR A 77 -12.240 -2.474 -7.282 1.00 1.20 H new ATOM 0 HE2 TYR A 77 -9.665 -5.666 -8.442 1.00 1.31 H new ATOM 0 HH TYR A 77 -10.886 -4.517 -9.879 1.00 0.51 H new ATOM 1215 N VAL A 78 -6.823 -4.261 -4.297 1.00 0.39 N ATOM 1216 CA VAL A 78 -5.643 -4.189 -5.158 1.00 0.43 C ATOM 1217 C VAL A 78 -5.340 -5.532 -5.804 1.00 0.60 C ATOM 1218 O VAL A 78 -4.211 -6.020 -5.740 1.00 1.18 O ATOM 1219 CB VAL A 78 -4.397 -3.735 -4.380 1.00 0.39 C ATOM 1220 CG1 VAL A 78 -4.542 -2.293 -3.926 1.00 0.82 C ATOM 1221 CG2 VAL A 78 -4.148 -4.656 -3.196 1.00 0.74 C ATOM 0 H VAL A 78 -6.864 -5.088 -3.702 1.00 0.39 H new ATOM 0 HA VAL A 78 -5.877 -3.455 -5.930 1.00 0.43 H new ATOM 0 HB VAL A 78 -3.535 -3.791 -5.044 1.00 0.39 H new ATOM 0 HG11 VAL A 78 -3.649 -1.993 -3.378 1.00 0.82 H new ATOM 0 HG12 VAL A 78 -4.667 -1.648 -4.796 1.00 0.82 H new ATOM 0 HG13 VAL A 78 -5.414 -2.201 -3.278 1.00 0.82 H new ATOM 0 HG21 VAL A 78 -3.263 -4.322 -2.655 1.00 0.74 H new ATOM 0 HG22 VAL A 78 -5.010 -4.633 -2.530 1.00 0.74 H new ATOM 0 HG23 VAL A 78 -3.992 -5.674 -3.553 1.00 0.74 H new ATOM 1231 N ALA A 79 -6.347 -6.125 -6.427 1.00 0.52 N ATOM 1232 CA ALA A 79 -6.183 -7.413 -7.085 1.00 0.56 C ATOM 1233 C ALA A 79 -7.534 -8.049 -7.361 1.00 0.57 C ATOM 1234 O ALA A 79 -7.719 -9.241 -7.119 1.00 0.64 O ATOM 1235 CB ALA A 79 -5.351 -8.350 -6.218 1.00 0.59 C ATOM 0 H ALA A 79 -7.287 -5.735 -6.491 1.00 0.52 H new ATOM 0 HA ALA A 79 -5.669 -7.245 -8.031 1.00 0.56 H new ATOM 0 HB1 ALA A 79 -5.237 -9.309 -6.724 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -4.368 -7.911 -6.047 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -5.852 -8.501 -5.262 1.00 0.59 H new ATOM 1241 N GLU A 80 -8.495 -7.260 -7.834 1.00 0.57 N ATOM 1242 CA GLU A 80 -9.818 -7.810 -8.078 1.00 0.62 C ATOM 1243 C GLU A 80 -10.079 -8.828 -6.988 1.00 0.69 C ATOM 1244 O GLU A 80 -10.775 -9.825 -7.180 1.00 0.82 O ATOM 1245 CB GLU A 80 -9.887 -8.466 -9.458 1.00 0.73 C ATOM 1246 CG GLU A 80 -9.250 -7.632 -10.557 1.00 1.08 C ATOM 1247 CD GLU A 80 -10.026 -7.689 -11.858 1.00 1.62 C ATOM 1248 OE1 GLU A 80 -10.981 -8.489 -11.947 1.00 2.31 O ATOM 1249 OE2 GLU A 80 -9.677 -6.933 -12.790 1.00 2.15 O ATOM 0 H GLU A 80 -8.386 -6.269 -8.049 1.00 0.57 H new ATOM 0 HA GLU A 80 -10.572 -7.023 -8.062 1.00 0.62 H new ATOM 0 HB2 GLU A 80 -9.392 -9.436 -9.416 1.00 0.73 H new ATOM 0 HB3 GLU A 80 -10.931 -8.651 -9.712 1.00 0.73 H new ATOM 0 HG2 GLU A 80 -9.179 -6.596 -10.226 1.00 1.08 H new ATOM 0 HG3 GLU A 80 -8.232 -7.982 -10.730 1.00 1.08 H new ATOM 1256 N LYS A 81 -9.454 -8.564 -5.845 1.00 0.66 N ATOM 1257 CA LYS A 81 -9.529 -9.433 -4.690 1.00 0.78 C ATOM 1258 C LYS A 81 -10.042 -8.680 -3.459 1.00 0.82 C ATOM 1259 O LYS A 81 -10.525 -7.553 -3.574 1.00 1.58 O ATOM 1260 CB LYS A 81 -8.140 -10.010 -4.442 1.00 0.83 C ATOM 1261 CG LYS A 81 -7.420 -9.397 -3.262 1.00 1.15 C ATOM 1262 CD LYS A 81 -6.456 -8.303 -3.688 1.00 1.19 C ATOM 1263 CE LYS A 81 -5.018 -8.803 -3.701 1.00 1.70 C ATOM 1264 NZ LYS A 81 -4.630 -9.430 -2.408 1.00 2.07 N ATOM 0 H LYS A 81 -8.879 -7.734 -5.700 1.00 0.66 H new ATOM 0 HA LYS A 81 -10.238 -10.239 -4.880 1.00 0.78 H new ATOM 0 HB2 LYS A 81 -8.228 -11.085 -4.282 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -7.534 -9.869 -5.337 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -8.151 -8.985 -2.566 1.00 1.15 H new ATOM 0 HG3 LYS A 81 -6.873 -10.174 -2.728 1.00 1.15 H new ATOM 0 HD2 LYS A 81 -6.727 -7.944 -4.681 1.00 1.19 H new ATOM 0 HD3 LYS A 81 -6.542 -7.455 -3.008 1.00 1.19 H new ATOM 0 HE2 LYS A 81 -4.894 -9.527 -4.506 1.00 1.70 H new ATOM 0 HE3 LYS A 81 -4.347 -7.971 -3.915 1.00 1.70 H new ATOM 0 HZ1 LYS A 81 -3.721 -9.037 -2.090 1.00 2.07 H new ATOM 0 HZ2 LYS A 81 -5.360 -9.234 -1.694 1.00 2.07 H new ATOM 0 HZ3 LYS A 81 -4.537 -10.458 -2.535 1.00 2.07 H new ATOM 1278 N TYR A 82 -9.953 -9.312 -2.284 1.00 0.80 N ATOM 1279 CA TYR A 82 -10.430 -8.694 -1.046 1.00 0.73 C ATOM 1280 C TYR A 82 -10.705 -7.225 -1.254 1.00 0.67 C ATOM 1281 O TYR A 82 -9.783 -6.419 -1.382 1.00 1.08 O ATOM 1282 CB TYR A 82 -9.440 -8.820 0.118 1.00 0.74 C ATOM 1283 CG TYR A 82 -8.503 -9.991 0.045 1.00 0.86 C ATOM 1284 CD1 TYR A 82 -7.417 -9.966 -0.803 1.00 1.45 C ATOM 1285 CD2 TYR A 82 -8.697 -11.109 0.835 1.00 1.58 C ATOM 1286 CE1 TYR A 82 -6.539 -11.023 -0.875 1.00 1.69 C ATOM 1287 CE2 TYR A 82 -7.827 -12.175 0.778 1.00 1.93 C ATOM 1288 CZ TYR A 82 -6.746 -12.131 -0.080 1.00 1.65 C ATOM 1289 OH TYR A 82 -5.875 -13.194 -0.143 1.00 2.11 O ATOM 0 H TYR A 82 -9.558 -10.245 -2.166 1.00 0.80 H new ATOM 0 HA TYR A 82 -11.340 -9.235 -0.787 1.00 0.73 H new ATOM 0 HB2 TYR A 82 -8.848 -7.906 0.170 1.00 0.74 H new ATOM 0 HB3 TYR A 82 -10.005 -8.887 1.048 1.00 0.74 H new ATOM 0 HD1 TYR A 82 -7.252 -9.098 -1.424 1.00 1.45 H new ATOM 0 HD2 TYR A 82 -9.542 -11.147 1.506 1.00 1.58 H new ATOM 0 HE1 TYR A 82 -5.695 -10.985 -1.548 1.00 1.69 H new ATOM 0 HE2 TYR A 82 -7.990 -13.042 1.402 1.00 1.93 H new ATOM 0 HH TYR A 82 -6.164 -13.891 0.482 1.00 2.11 H new ATOM 1299 N VAL A 83 -11.970 -6.874 -1.255 1.00 0.49 N ATOM 1300 CA VAL A 83 -12.355 -5.494 -1.410 1.00 0.42 C ATOM 1301 C VAL A 83 -12.822 -4.950 -0.076 1.00 0.40 C ATOM 1302 O VAL A 83 -13.402 -5.675 0.733 1.00 0.53 O ATOM 1303 CB VAL A 83 -13.450 -5.329 -2.464 1.00 0.48 C ATOM 1304 CG1 VAL A 83 -13.497 -3.890 -2.949 1.00 1.01 C ATOM 1305 CG2 VAL A 83 -13.208 -6.300 -3.613 1.00 0.95 C ATOM 0 H VAL A 83 -12.748 -7.525 -1.150 1.00 0.49 H new ATOM 0 HA VAL A 83 -11.486 -4.932 -1.753 1.00 0.42 H new ATOM 0 HB VAL A 83 -14.419 -5.561 -2.023 1.00 0.48 H new ATOM 0 HG11 VAL A 83 -14.280 -3.784 -3.699 1.00 1.01 H new ATOM 0 HG12 VAL A 83 -13.708 -3.229 -2.108 1.00 1.01 H new ATOM 0 HG13 VAL A 83 -12.536 -3.622 -3.388 1.00 1.01 H new ATOM 0 HG21 VAL A 83 -13.990 -6.179 -4.362 1.00 0.95 H new ATOM 0 HG22 VAL A 83 -12.238 -6.094 -4.065 1.00 0.95 H new ATOM 0 HG23 VAL A 83 -13.222 -7.322 -3.235 1.00 0.95 H new ATOM 1315 N PHE A 84 -12.540 -3.687 0.169 1.00 0.32 N ATOM 1316 CA PHE A 84 -12.909 -3.076 1.432 1.00 0.33 C ATOM 1317 C PHE A 84 -13.419 -1.655 1.239 1.00 0.33 C ATOM 1318 O PHE A 84 -13.598 -1.195 0.113 1.00 0.44 O ATOM 1319 CB PHE A 84 -11.706 -3.104 2.381 1.00 0.34 C ATOM 1320 CG PHE A 84 -10.939 -4.400 2.319 1.00 0.33 C ATOM 1321 CD1 PHE A 84 -9.964 -4.602 1.354 1.00 1.05 C ATOM 1322 CD2 PHE A 84 -11.205 -5.421 3.217 1.00 1.25 C ATOM 1323 CE1 PHE A 84 -9.269 -5.799 1.283 1.00 1.04 C ATOM 1324 CE2 PHE A 84 -10.511 -6.621 3.155 1.00 1.27 C ATOM 1325 CZ PHE A 84 -9.542 -6.811 2.185 1.00 0.38 C ATOM 0 H PHE A 84 -12.060 -3.067 -0.483 1.00 0.32 H new ATOM 0 HA PHE A 84 -13.726 -3.649 1.871 1.00 0.33 H new ATOM 0 HB2 PHE A 84 -11.037 -2.280 2.135 1.00 0.34 H new ATOM 0 HB3 PHE A 84 -12.051 -2.941 3.402 1.00 0.34 H new ATOM 0 HD1 PHE A 84 -9.743 -3.815 0.648 1.00 1.05 H new ATOM 0 HD2 PHE A 84 -11.962 -5.281 3.975 1.00 1.25 H new ATOM 0 HE1 PHE A 84 -8.514 -5.941 0.523 1.00 1.04 H new ATOM 0 HE2 PHE A 84 -10.727 -7.407 3.864 1.00 1.27 H new ATOM 0 HZ PHE A 84 -9.002 -7.745 2.133 1.00 0.38 H new ATOM 1335 N ASP A 85 -13.665 -0.970 2.347 1.00 0.31 N ATOM 1336 CA ASP A 85 -14.169 0.393 2.303 1.00 0.34 C ATOM 1337 C ASP A 85 -13.105 1.383 2.751 1.00 0.32 C ATOM 1338 O ASP A 85 -13.405 2.542 3.036 1.00 0.43 O ATOM 1339 CB ASP A 85 -15.411 0.530 3.184 1.00 0.47 C ATOM 1340 CG ASP A 85 -15.795 1.977 3.424 1.00 1.30 C ATOM 1341 OD1 ASP A 85 -15.583 2.806 2.515 1.00 2.20 O ATOM 1342 OD2 ASP A 85 -16.309 2.281 4.521 1.00 1.91 O ATOM 0 H ASP A 85 -13.523 -1.337 3.288 1.00 0.31 H new ATOM 0 HA ASP A 85 -14.437 0.619 1.271 1.00 0.34 H new ATOM 0 HB2 ASP A 85 -16.245 0.009 2.714 1.00 0.47 H new ATOM 0 HB3 ASP A 85 -15.229 0.042 4.142 1.00 0.47 H new ATOM 1347 N SER A 86 -11.860 0.925 2.813 1.00 0.28 N ATOM 1348 CA SER A 86 -10.766 1.788 3.230 1.00 0.31 C ATOM 1349 C SER A 86 -9.414 1.089 3.117 1.00 0.27 C ATOM 1350 O SER A 86 -9.273 -0.119 3.391 1.00 0.26 O ATOM 1351 CB SER A 86 -10.987 2.265 4.666 1.00 0.40 C ATOM 1352 OG SER A 86 -11.691 3.495 4.692 1.00 1.14 O ATOM 0 H SER A 86 -11.586 -0.030 2.582 1.00 0.28 H new ATOM 0 HA SER A 86 -10.753 2.647 2.559 1.00 0.31 H new ATOM 0 HB2 SER A 86 -11.545 1.511 5.221 1.00 0.40 H new ATOM 0 HB3 SER A 86 -10.025 2.382 5.166 1.00 0.40 H new ATOM 0 HG SER A 86 -12.305 3.536 3.930 1.00 1.14 H new ATOM 1358 N ILE A 87 -8.413 1.867 2.727 1.00 0.27 N ATOM 1359 CA ILE A 87 -7.069 1.351 2.591 1.00 0.25 C ATOM 1360 C ILE A 87 -6.651 0.653 3.876 1.00 0.23 C ATOM 1361 O ILE A 87 -6.098 -0.437 3.841 1.00 0.22 O ATOM 1362 CB ILE A 87 -6.053 2.466 2.287 1.00 0.26 C ATOM 1363 CG1 ILE A 87 -6.164 2.948 0.839 1.00 0.34 C ATOM 1364 CG2 ILE A 87 -4.642 1.975 2.569 1.00 0.33 C ATOM 1365 CD1 ILE A 87 -7.386 2.445 0.105 1.00 0.28 C ATOM 0 H ILE A 87 -8.512 2.857 2.501 1.00 0.27 H new ATOM 0 HA ILE A 87 -7.075 0.650 1.756 1.00 0.25 H new ATOM 0 HB ILE A 87 -6.278 3.311 2.937 1.00 0.26 H new ATOM 0 HG12 ILE A 87 -6.174 4.038 0.832 1.00 0.34 H new ATOM 0 HG13 ILE A 87 -5.273 2.633 0.295 1.00 0.34 H new ATOM 0 HG21 ILE A 87 -3.930 2.771 2.351 1.00 0.33 H new ATOM 0 HG22 ILE A 87 -4.559 1.690 3.618 1.00 0.33 H new ATOM 0 HG23 ILE A 87 -4.425 1.111 1.940 1.00 0.33 H new ATOM 0 HD11 ILE A 87 -7.385 2.835 -0.913 1.00 0.28 H new ATOM 0 HD12 ILE A 87 -7.371 1.355 0.077 1.00 0.28 H new ATOM 0 HD13 ILE A 87 -8.285 2.782 0.621 1.00 0.28 H new ATOM 1377 N PRO A 88 -6.915 1.273 5.040 1.00 0.23 N ATOM 1378 CA PRO A 88 -6.554 0.691 6.330 1.00 0.24 C ATOM 1379 C PRO A 88 -7.073 -0.728 6.479 1.00 0.23 C ATOM 1380 O PRO A 88 -6.312 -1.634 6.817 1.00 0.23 O ATOM 1381 CB PRO A 88 -7.202 1.618 7.363 1.00 0.26 C ATOM 1382 CG PRO A 88 -8.117 2.513 6.591 1.00 0.46 C ATOM 1383 CD PRO A 88 -7.573 2.574 5.191 1.00 0.27 C ATOM 0 HA PRO A 88 -5.473 0.617 6.448 1.00 0.24 H new ATOM 0 HB2 PRO A 88 -7.753 1.046 8.110 1.00 0.26 H new ATOM 0 HB3 PRO A 88 -6.448 2.196 7.897 1.00 0.26 H new ATOM 0 HG2 PRO A 88 -9.135 2.124 6.595 1.00 0.46 H new ATOM 0 HG3 PRO A 88 -8.154 3.507 7.036 1.00 0.46 H new ATOM 0 HD2 PRO A 88 -8.365 2.714 4.455 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -6.872 3.399 5.065 1.00 0.27 H new ATOM 1391 N LEU A 89 -8.352 -0.944 6.184 1.00 0.24 N ATOM 1392 CA LEU A 89 -8.887 -2.293 6.255 1.00 0.24 C ATOM 1393 C LEU A 89 -8.269 -3.071 5.115 1.00 0.23 C ATOM 1394 O LEU A 89 -7.783 -4.193 5.293 1.00 0.24 O ATOM 1395 CB LEU A 89 -10.419 -2.346 6.163 1.00 0.27 C ATOM 1396 CG LEU A 89 -11.151 -1.006 6.201 1.00 0.42 C ATOM 1397 CD1 LEU A 89 -11.548 -0.593 4.795 1.00 0.66 C ATOM 1398 CD2 LEU A 89 -12.380 -1.101 7.093 1.00 0.79 C ATOM 0 H LEU A 89 -9.017 -0.224 5.902 1.00 0.24 H new ATOM 0 HA LEU A 89 -8.638 -2.720 7.226 1.00 0.24 H new ATOM 0 HB2 LEU A 89 -10.688 -2.855 5.238 1.00 0.27 H new ATOM 0 HB3 LEU A 89 -10.789 -2.960 6.984 1.00 0.27 H new ATOM 0 HG LEU A 89 -10.483 -0.250 6.614 1.00 0.42 H new ATOM 0 HD11 LEU A 89 -12.070 0.363 4.830 1.00 0.66 H new ATOM 0 HD12 LEU A 89 -10.655 -0.497 4.178 1.00 0.66 H new ATOM 0 HD13 LEU A 89 -12.205 -1.349 4.366 1.00 0.66 H new ATOM 0 HD21 LEU A 89 -12.892 -0.139 7.111 1.00 0.79 H new ATOM 0 HD22 LEU A 89 -13.054 -1.864 6.703 1.00 0.79 H new ATOM 0 HD23 LEU A 89 -12.075 -1.369 8.105 1.00 0.79 H new ATOM 1410 N LEU A 90 -8.244 -2.438 3.941 1.00 0.22 N ATOM 1411 CA LEU A 90 -7.634 -3.055 2.779 1.00 0.23 C ATOM 1412 C LEU A 90 -6.179 -3.394 3.096 1.00 0.22 C ATOM 1413 O LEU A 90 -5.668 -4.439 2.696 1.00 0.25 O ATOM 1414 CB LEU A 90 -7.720 -2.118 1.578 1.00 0.26 C ATOM 1415 CG LEU A 90 -7.374 -2.759 0.236 1.00 0.30 C ATOM 1416 CD1 LEU A 90 -8.428 -2.415 -0.802 1.00 0.83 C ATOM 1417 CD2 LEU A 90 -5.993 -2.313 -0.224 1.00 0.84 C ATOM 0 H LEU A 90 -8.636 -1.510 3.778 1.00 0.22 H new ATOM 0 HA LEU A 90 -8.168 -3.972 2.530 1.00 0.23 H new ATOM 0 HB2 LEU A 90 -8.731 -1.715 1.522 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -7.050 -1.275 1.745 1.00 0.26 H new ATOM 0 HG LEU A 90 -7.358 -3.842 0.359 1.00 0.30 H new ATOM 0 HD11 LEU A 90 -8.167 -2.879 -1.753 1.00 0.83 H new ATOM 0 HD12 LEU A 90 -9.398 -2.785 -0.472 1.00 0.83 H new ATOM 0 HD13 LEU A 90 -8.476 -1.333 -0.927 1.00 0.83 H new ATOM 0 HD21 LEU A 90 -5.761 -2.778 -1.182 1.00 0.84 H new ATOM 0 HD22 LEU A 90 -5.979 -1.229 -0.334 1.00 0.84 H new ATOM 0 HD23 LEU A 90 -5.249 -2.612 0.515 1.00 0.84 H new ATOM 1429 N ILE A 91 -5.533 -2.507 3.854 1.00 0.21 N ATOM 1430 CA ILE A 91 -4.151 -2.704 4.274 1.00 0.22 C ATOM 1431 C ILE A 91 -4.120 -3.671 5.443 1.00 0.23 C ATOM 1432 O ILE A 91 -3.326 -4.611 5.471 1.00 0.25 O ATOM 1433 CB ILE A 91 -3.482 -1.377 4.702 1.00 0.22 C ATOM 1434 CG1 ILE A 91 -3.568 -0.350 3.577 1.00 0.22 C ATOM 1435 CG2 ILE A 91 -2.026 -1.611 5.088 1.00 0.23 C ATOM 1436 CD1 ILE A 91 -2.925 -0.822 2.301 1.00 0.20 C ATOM 0 H ILE A 91 -5.951 -1.640 4.190 1.00 0.21 H new ATOM 0 HA ILE A 91 -3.597 -3.103 3.424 1.00 0.22 H new ATOM 0 HB ILE A 91 -4.014 -0.990 5.571 1.00 0.22 H new ATOM 0 HG12 ILE A 91 -4.615 -0.116 3.385 1.00 0.22 H new ATOM 0 HG13 ILE A 91 -3.089 0.575 3.899 1.00 0.22 H new ATOM 0 HG21 ILE A 91 -1.572 -0.666 5.386 1.00 0.23 H new ATOM 0 HG22 ILE A 91 -1.978 -2.315 5.919 1.00 0.23 H new ATOM 0 HG23 ILE A 91 -1.485 -2.020 4.235 1.00 0.23 H new ATOM 0 HD11 ILE A 91 -3.018 -0.049 1.539 1.00 0.20 H new ATOM 0 HD12 ILE A 91 -1.870 -1.029 2.480 1.00 0.20 H new ATOM 0 HD13 ILE A 91 -3.420 -1.731 1.958 1.00 0.20 H new ATOM 1448 N GLN A 92 -5.018 -3.444 6.397 1.00 0.25 N ATOM 1449 CA GLN A 92 -5.125 -4.307 7.558 1.00 0.28 C ATOM 1450 C GLN A 92 -5.323 -5.739 7.096 1.00 0.30 C ATOM 1451 O GLN A 92 -4.740 -6.670 7.651 1.00 0.36 O ATOM 1452 CB GLN A 92 -6.291 -3.871 8.448 1.00 0.31 C ATOM 1453 CG GLN A 92 -5.959 -2.699 9.355 1.00 0.34 C ATOM 1454 CD GLN A 92 -4.475 -2.593 9.647 1.00 0.67 C ATOM 1455 OE1 GLN A 92 -3.689 -2.301 8.618 1.00 1.50 O flip ATOM 1456 NE2 GLN A 92 -4.040 -2.773 10.785 1.00 0.45 N flip ATOM 0 H GLN A 92 -5.680 -2.668 6.385 1.00 0.25 H new ATOM 0 HA GLN A 92 -4.209 -4.236 8.144 1.00 0.28 H new ATOM 0 HB2 GLN A 92 -7.138 -3.602 7.817 1.00 0.31 H new ATOM 0 HB3 GLN A 92 -6.605 -4.716 9.061 1.00 0.31 H new ATOM 0 HG2 GLN A 92 -6.301 -1.775 8.889 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -6.504 -2.804 10.293 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -4.681 -2.996 11.547 1.00 0.45 H new ATOM 0 HE22 GLN A 92 -3.039 -2.699 10.966 1.00 0.45 H new ATOM 1465 N TYR A 93 -6.139 -5.906 6.056 1.00 0.31 N ATOM 1466 CA TYR A 93 -6.392 -7.226 5.504 1.00 0.35 C ATOM 1467 C TYR A 93 -5.118 -7.780 4.879 1.00 0.34 C ATOM 1468 O TYR A 93 -4.781 -8.948 5.078 1.00 0.39 O ATOM 1469 CB TYR A 93 -7.511 -7.179 4.465 1.00 0.41 C ATOM 1470 CG TYR A 93 -7.043 -7.510 3.069 1.00 0.46 C ATOM 1471 CD1 TYR A 93 -6.681 -8.808 2.719 1.00 1.02 C ATOM 1472 CD2 TYR A 93 -6.953 -6.521 2.102 1.00 0.83 C ATOM 1473 CE1 TYR A 93 -6.243 -9.103 1.444 1.00 1.20 C ATOM 1474 CE2 TYR A 93 -6.520 -6.811 0.826 1.00 0.98 C ATOM 1475 CZ TYR A 93 -6.165 -8.102 0.502 1.00 0.93 C ATOM 1476 OH TYR A 93 -5.726 -8.391 -0.766 1.00 1.21 O ATOM 0 H TYR A 93 -6.631 -5.146 5.585 1.00 0.31 H new ATOM 0 HA TYR A 93 -6.709 -7.882 6.314 1.00 0.35 H new ATOM 0 HB2 TYR A 93 -8.295 -7.879 4.754 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -7.956 -6.184 4.465 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -6.744 -9.595 3.456 1.00 1.02 H new ATOM 0 HD2 TYR A 93 -7.227 -5.507 2.352 1.00 0.83 H new ATOM 0 HE1 TYR A 93 -5.963 -10.114 1.187 1.00 1.20 H new ATOM 0 HE2 TYR A 93 -6.459 -6.029 0.083 1.00 0.98 H new ATOM 0 HH TYR A 93 -5.298 -7.599 -1.153 1.00 1.21 H new ATOM 1486 N HIS A 94 -4.391 -6.936 4.139 1.00 0.35 N ATOM 1487 CA HIS A 94 -3.145 -7.373 3.525 1.00 0.42 C ATOM 1488 C HIS A 94 -2.097 -7.610 4.602 1.00 0.39 C ATOM 1489 O HIS A 94 -1.411 -8.631 4.609 1.00 0.55 O ATOM 1490 CB HIS A 94 -2.611 -6.330 2.546 1.00 0.53 C ATOM 1491 CG HIS A 94 -3.458 -6.102 1.337 1.00 0.46 C ATOM 1492 ND1 HIS A 94 -4.155 -5.012 0.942 1.00 0.46 N flip ATOM 1493 CD2 HIS A 94 -3.618 -7.040 0.342 1.00 0.47 C flip ATOM 1494 CE1 HIS A 94 -4.712 -5.306 -0.276 1.00 0.44 C flip ATOM 1495 NE2 HIS A 94 -4.372 -6.535 -0.615 1.00 0.44 N flip ATOM 0 H HIS A 94 -4.642 -5.965 3.956 1.00 0.35 H new ATOM 0 HA HIS A 94 -3.349 -8.295 2.981 1.00 0.42 H new ATOM 0 HB2 HIS A 94 -2.497 -5.383 3.074 1.00 0.53 H new ATOM 0 HB3 HIS A 94 -1.616 -6.635 2.221 1.00 0.53 H new ATOM 0 HD1 HIS A 94 -4.249 -4.135 1.455 1.00 0.46 H new ATOM 0 HD2 HIS A 94 -3.193 -8.033 0.345 1.00 0.47 H new ATOM 0 HE1 HIS A 94 -5.328 -4.640 -0.862 1.00 0.44 H new ATOM 1504 N GLN A 95 -1.980 -6.644 5.510 1.00 0.32 N ATOM 1505 CA GLN A 95 -1.016 -6.725 6.597 1.00 0.37 C ATOM 1506 C GLN A 95 -1.096 -8.081 7.291 1.00 0.45 C ATOM 1507 O GLN A 95 -0.082 -8.638 7.710 1.00 0.63 O ATOM 1508 CB GLN A 95 -1.266 -5.607 7.611 1.00 0.44 C ATOM 1509 CG GLN A 95 -1.374 -4.228 6.981 1.00 0.61 C ATOM 1510 CD GLN A 95 -0.389 -3.239 7.572 1.00 1.02 C ATOM 1511 OE1 GLN A 95 0.169 -2.382 6.725 1.00 1.81 O flip ATOM 1512 NE2 GLN A 95 -0.132 -3.245 8.776 1.00 1.64 N flip ATOM 0 H GLN A 95 -2.544 -5.794 5.512 1.00 0.32 H new ATOM 0 HA GLN A 95 -0.018 -6.608 6.176 1.00 0.37 H new ATOM 0 HB2 GLN A 95 -2.185 -5.821 8.156 1.00 0.44 H new ATOM 0 HB3 GLN A 95 -0.456 -5.602 8.341 1.00 0.44 H new ATOM 0 HG2 GLN A 95 -1.203 -4.308 5.908 1.00 0.61 H new ATOM 0 HG3 GLN A 95 -2.388 -3.850 7.115 1.00 0.61 H new ATOM 0 HE21 GLN A 95 -0.584 -3.922 9.391 1.00 1.64 H new ATOM 0 HE22 GLN A 95 0.533 -2.573 9.159 1.00 1.64 H new ATOM 1521 N TYR A 96 -2.313 -8.606 7.406 1.00 0.43 N ATOM 1522 CA TYR A 96 -2.536 -9.895 8.047 1.00 0.53 C ATOM 1523 C TYR A 96 -2.824 -10.975 7.009 1.00 0.67 C ATOM 1524 O TYR A 96 -1.933 -11.390 6.269 1.00 1.37 O ATOM 1525 CB TYR A 96 -3.698 -9.801 9.037 1.00 0.61 C ATOM 1526 CG TYR A 96 -3.372 -9.004 10.280 1.00 1.18 C ATOM 1527 CD1 TYR A 96 -2.745 -9.601 11.366 1.00 2.23 C ATOM 1528 CD2 TYR A 96 -3.692 -7.655 10.367 1.00 1.81 C ATOM 1529 CE1 TYR A 96 -2.446 -8.875 12.504 1.00 3.10 C ATOM 1530 CE2 TYR A 96 -3.396 -6.923 11.501 1.00 2.70 C ATOM 1531 CZ TYR A 96 -2.773 -7.538 12.566 1.00 3.17 C ATOM 1532 OH TYR A 96 -2.477 -6.812 13.697 1.00 4.19 O ATOM 0 H TYR A 96 -3.161 -8.156 7.062 1.00 0.43 H new ATOM 0 HA TYR A 96 -1.629 -10.167 8.587 1.00 0.53 H new ATOM 0 HB2 TYR A 96 -4.554 -9.346 8.538 1.00 0.61 H new ATOM 0 HB3 TYR A 96 -3.998 -10.807 9.329 1.00 0.61 H new ATOM 0 HD1 TYR A 96 -2.487 -10.649 11.321 1.00 2.23 H new ATOM 0 HD2 TYR A 96 -4.180 -7.170 9.534 1.00 1.81 H new ATOM 0 HE1 TYR A 96 -1.958 -9.354 13.340 1.00 3.10 H new ATOM 0 HE2 TYR A 96 -3.651 -5.875 11.553 1.00 2.70 H new ATOM 0 HH TYR A 96 -2.773 -5.885 13.578 1.00 4.19 H new ATOM 1542 N ASN A 97 -4.074 -11.426 6.964 1.00 0.74 N ATOM 1543 CA ASN A 97 -4.488 -12.460 6.019 1.00 0.86 C ATOM 1544 C ASN A 97 -3.332 -12.869 5.110 1.00 0.98 C ATOM 1545 O ASN A 97 -2.324 -13.402 5.572 1.00 1.63 O ATOM 1546 CB ASN A 97 -5.666 -11.968 5.177 1.00 0.92 C ATOM 1547 CG ASN A 97 -6.936 -11.819 5.991 1.00 1.27 C ATOM 1548 OD1 ASN A 97 -7.806 -12.690 5.972 1.00 2.01 O ATOM 1549 ND2 ASN A 97 -7.050 -10.709 6.711 1.00 1.52 N ATOM 0 H ASN A 97 -4.821 -11.091 7.573 1.00 0.74 H new ATOM 0 HA ASN A 97 -4.798 -13.334 6.592 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -5.412 -11.008 4.727 1.00 0.92 H new ATOM 0 HB3 ASN A 97 -5.842 -12.667 4.359 1.00 0.92 H new ATOM 0 HD21 ASN A 97 -7.883 -10.552 7.278 1.00 1.52 H new ATOM 0 HD22 ASN A 97 -6.304 -10.013 6.697 1.00 1.52 H new ATOM 1556 N GLY A 98 -3.487 -12.617 3.813 1.00 0.91 N ATOM 1557 CA GLY A 98 -2.448 -12.967 2.861 1.00 1.05 C ATOM 1558 C GLY A 98 -2.656 -12.316 1.508 1.00 0.92 C ATOM 1559 O GLY A 98 -2.152 -12.800 0.495 1.00 1.68 O ATOM 0 H GLY A 98 -4.312 -12.177 3.405 1.00 0.91 H new ATOM 0 HA2 GLY A 98 -1.479 -12.667 3.260 1.00 1.05 H new ATOM 0 HA3 GLY A 98 -2.421 -14.050 2.739 1.00 1.05 H new ATOM 1563 N GLY A 99 -3.400 -11.215 1.491 1.00 0.86 N ATOM 1564 CA GLY A 99 -3.660 -10.514 0.246 1.00 0.85 C ATOM 1565 C GLY A 99 -2.431 -10.428 -0.638 1.00 0.89 C ATOM 1566 O GLY A 99 -1.741 -9.409 -0.651 1.00 1.49 O ATOM 0 H GLY A 99 -3.828 -10.795 2.316 1.00 0.86 H new ATOM 0 HA2 GLY A 99 -4.458 -11.023 -0.295 1.00 0.85 H new ATOM 0 HA3 GLY A 99 -4.016 -9.508 0.467 1.00 0.85 H new ATOM 1570 N GLY A 100 -2.157 -11.499 -1.378 1.00 0.86 N ATOM 1571 CA GLY A 100 -1.002 -11.517 -2.257 1.00 0.90 C ATOM 1572 C GLY A 100 -0.036 -10.388 -1.961 1.00 0.91 C ATOM 1573 O GLY A 100 0.594 -10.363 -0.904 1.00 1.72 O ATOM 0 H GLY A 100 -2.714 -12.354 -1.384 1.00 0.86 H new ATOM 0 HA2 GLY A 100 -0.485 -12.471 -2.154 1.00 0.90 H new ATOM 0 HA3 GLY A 100 -1.335 -11.445 -3.292 1.00 0.90 H new ATOM 1577 N LEU A 101 0.076 -9.446 -2.891 1.00 0.60 N ATOM 1578 CA LEU A 101 0.966 -8.305 -2.715 1.00 0.52 C ATOM 1579 C LEU A 101 2.371 -8.763 -2.328 1.00 0.52 C ATOM 1580 O LEU A 101 2.541 -9.813 -1.710 1.00 0.74 O ATOM 1581 CB LEU A 101 0.403 -7.372 -1.642 1.00 0.59 C ATOM 1582 CG LEU A 101 -0.522 -6.272 -2.161 1.00 0.52 C ATOM 1583 CD1 LEU A 101 -1.880 -6.847 -2.537 1.00 0.59 C ATOM 1584 CD2 LEU A 101 -0.672 -5.176 -1.116 1.00 0.65 C ATOM 0 H LEU A 101 -0.437 -9.450 -3.772 1.00 0.60 H new ATOM 0 HA LEU A 101 1.033 -7.769 -3.662 1.00 0.52 H new ATOM 0 HB2 LEU A 101 -0.143 -7.970 -0.912 1.00 0.59 H new ATOM 0 HB3 LEU A 101 1.235 -6.906 -1.114 1.00 0.59 H new ATOM 0 HG LEU A 101 -0.079 -5.838 -3.057 1.00 0.52 H new ATOM 0 HD11 LEU A 101 -2.524 -6.048 -2.904 1.00 0.59 H new ATOM 0 HD12 LEU A 101 -1.754 -7.599 -3.316 1.00 0.59 H new ATOM 0 HD13 LEU A 101 -2.336 -7.307 -1.660 1.00 0.59 H new ATOM 0 HD21 LEU A 101 -1.333 -4.398 -1.497 1.00 0.65 H new ATOM 0 HD22 LEU A 101 -1.096 -5.598 -0.205 1.00 0.65 H new ATOM 0 HD23 LEU A 101 0.305 -4.746 -0.897 1.00 0.65 H new ATOM 1596 N VAL A 102 3.376 -7.970 -2.696 1.00 0.48 N ATOM 1597 CA VAL A 102 4.762 -8.304 -2.383 1.00 0.50 C ATOM 1598 C VAL A 102 4.833 -9.296 -1.232 1.00 0.46 C ATOM 1599 O VAL A 102 5.580 -10.273 -1.282 1.00 0.52 O ATOM 1600 CB VAL A 102 5.584 -7.055 -2.009 1.00 0.59 C ATOM 1601 CG1 VAL A 102 5.867 -6.208 -3.240 1.00 0.99 C ATOM 1602 CG2 VAL A 102 4.866 -6.242 -0.940 1.00 1.14 C ATOM 0 H VAL A 102 3.256 -7.096 -3.209 1.00 0.48 H new ATOM 0 HA VAL A 102 5.186 -8.748 -3.284 1.00 0.50 H new ATOM 0 HB VAL A 102 6.540 -7.382 -1.600 1.00 0.59 H new ATOM 0 HG11 VAL A 102 6.448 -5.332 -2.953 1.00 0.99 H new ATOM 0 HG12 VAL A 102 6.431 -6.796 -3.964 1.00 0.99 H new ATOM 0 HG13 VAL A 102 4.925 -5.888 -3.686 1.00 0.99 H new ATOM 0 HG21 VAL A 102 5.462 -5.364 -0.689 1.00 1.14 H new ATOM 0 HG22 VAL A 102 3.893 -5.925 -1.316 1.00 1.14 H new ATOM 0 HG23 VAL A 102 4.728 -6.854 -0.049 1.00 1.14 H new ATOM 1612 N THR A 103 4.048 -9.035 -0.193 1.00 0.43 N ATOM 1613 CA THR A 103 4.017 -9.901 0.977 1.00 0.46 C ATOM 1614 C THR A 103 2.865 -9.513 1.897 1.00 0.43 C ATOM 1615 O THR A 103 3.035 -9.395 3.110 1.00 0.56 O ATOM 1616 CB THR A 103 5.346 -9.824 1.731 1.00 0.54 C ATOM 1617 OG1 THR A 103 5.165 -9.245 3.009 1.00 1.06 O ATOM 1618 CG2 THR A 103 6.399 -9.014 1.005 1.00 0.72 C ATOM 0 H THR A 103 3.424 -8.230 -0.138 1.00 0.43 H new ATOM 0 HA THR A 103 3.864 -10.927 0.643 1.00 0.46 H new ATOM 0 HB THR A 103 5.693 -10.854 1.811 1.00 0.54 H new ATOM 0 HG1 THR A 103 4.472 -9.738 3.496 1.00 1.06 H new ATOM 0 HG21 THR A 103 7.316 -8.999 1.593 1.00 0.72 H new ATOM 0 HG22 THR A 103 6.599 -9.465 0.033 1.00 0.72 H new ATOM 0 HG23 THR A 103 6.041 -7.994 0.865 1.00 0.72 H new ATOM 1626 N ARG A 104 1.692 -9.321 1.305 1.00 0.38 N ATOM 1627 CA ARG A 104 0.500 -8.951 2.054 1.00 0.39 C ATOM 1628 C ARG A 104 0.820 -7.936 3.149 1.00 0.35 C ATOM 1629 O ARG A 104 0.702 -8.236 4.337 1.00 0.50 O ATOM 1630 CB ARG A 104 -0.141 -10.196 2.667 1.00 0.47 C ATOM 1631 CG ARG A 104 0.767 -10.931 3.638 1.00 0.84 C ATOM 1632 CD ARG A 104 0.019 -11.343 4.893 1.00 1.06 C ATOM 1633 NE ARG A 104 0.734 -12.371 5.644 1.00 1.46 N ATOM 1634 CZ ARG A 104 1.742 -12.111 6.471 1.00 1.79 C ATOM 1635 NH1 ARG A 104 2.149 -10.862 6.653 1.00 2.15 N ATOM 1636 NH2 ARG A 104 2.344 -13.101 7.117 1.00 2.37 N ATOM 0 H ARG A 104 1.542 -9.417 0.301 1.00 0.38 H new ATOM 0 HA ARG A 104 -0.200 -8.487 1.360 1.00 0.39 H new ATOM 0 HB2 ARG A 104 -1.055 -9.906 3.185 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -0.431 -10.877 1.867 1.00 0.47 H new ATOM 0 HG2 ARG A 104 1.181 -11.815 3.153 1.00 0.84 H new ATOM 0 HG3 ARG A 104 1.608 -10.292 3.907 1.00 0.84 H new ATOM 0 HD2 ARG A 104 -0.132 -10.470 5.528 1.00 1.06 H new ATOM 0 HD3 ARG A 104 -0.969 -11.714 4.621 1.00 1.06 H new ATOM 0 HE ARG A 104 0.444 -13.342 5.528 1.00 1.46 H new ATOM 0 HH11 ARG A 104 1.688 -10.098 6.158 1.00 2.15 H new ATOM 0 HH12 ARG A 104 2.923 -10.665 7.288 1.00 2.15 H new ATOM 0 HH21 ARG A 104 2.034 -14.063 6.979 1.00 2.37 H new ATOM 0 HH22 ARG A 104 3.117 -12.900 7.751 1.00 2.37 H new ATOM 1650 N LEU A 105 1.213 -6.730 2.745 1.00 0.34 N ATOM 1651 CA LEU A 105 1.532 -5.678 3.704 1.00 0.30 C ATOM 1652 C LEU A 105 2.337 -6.243 4.868 1.00 0.35 C ATOM 1653 O LEU A 105 1.780 -6.618 5.898 1.00 0.47 O ATOM 1654 CB LEU A 105 0.245 -5.033 4.215 1.00 0.30 C ATOM 1655 CG LEU A 105 -0.556 -4.279 3.164 1.00 0.41 C ATOM 1656 CD1 LEU A 105 0.009 -2.901 3.018 1.00 0.57 C ATOM 1657 CD2 LEU A 105 -0.528 -4.997 1.826 1.00 0.99 C ATOM 0 H LEU A 105 1.317 -6.459 1.767 1.00 0.34 H new ATOM 0 HA LEU A 105 2.135 -4.920 3.205 1.00 0.30 H new ATOM 0 HB2 LEU A 105 -0.388 -5.810 4.644 1.00 0.30 H new ATOM 0 HB3 LEU A 105 0.497 -4.345 5.022 1.00 0.30 H new ATOM 0 HG LEU A 105 -1.595 -4.225 3.488 1.00 0.41 H new ATOM 0 HD11 LEU A 105 -0.559 -2.353 2.266 1.00 0.57 H new ATOM 0 HD12 LEU A 105 -0.054 -2.379 3.973 1.00 0.57 H new ATOM 0 HD13 LEU A 105 1.052 -2.966 2.708 1.00 0.57 H new ATOM 0 HD21 LEU A 105 -1.110 -4.432 1.098 1.00 0.99 H new ATOM 0 HD22 LEU A 105 0.502 -5.082 1.480 1.00 0.99 H new ATOM 0 HD23 LEU A 105 -0.956 -5.993 1.938 1.00 0.99 H new ATOM 1669 N ARG A 106 3.651 -6.318 4.693 1.00 0.40 N ATOM 1670 CA ARG A 106 4.522 -6.858 5.734 1.00 0.46 C ATOM 1671 C ARG A 106 4.991 -5.776 6.701 1.00 0.41 C ATOM 1672 O ARG A 106 5.260 -6.056 7.869 1.00 0.46 O ATOM 1673 CB ARG A 106 5.736 -7.551 5.115 1.00 0.54 C ATOM 1674 CG ARG A 106 6.845 -7.832 6.116 1.00 0.92 C ATOM 1675 CD ARG A 106 7.005 -9.323 6.369 1.00 1.28 C ATOM 1676 NE ARG A 106 8.288 -9.637 6.992 1.00 1.63 N ATOM 1677 CZ ARG A 106 8.513 -9.549 8.299 1.00 1.82 C ATOM 1678 NH1 ARG A 106 7.545 -9.159 9.117 1.00 2.11 N ATOM 1679 NH2 ARG A 106 9.707 -9.851 8.790 1.00 2.44 N ATOM 0 H ARG A 106 4.135 -6.015 3.848 1.00 0.40 H new ATOM 0 HA ARG A 106 3.935 -7.585 6.295 1.00 0.46 H new ATOM 0 HB2 ARG A 106 5.418 -8.490 4.663 1.00 0.54 H new ATOM 0 HB3 ARG A 106 6.130 -6.928 4.312 1.00 0.54 H new ATOM 0 HG2 ARG A 106 7.784 -7.422 5.744 1.00 0.92 H new ATOM 0 HG3 ARG A 106 6.626 -7.324 7.055 1.00 0.92 H new ATOM 0 HD2 ARG A 106 6.195 -9.671 7.011 1.00 1.28 H new ATOM 0 HD3 ARG A 106 6.918 -9.862 5.426 1.00 1.28 H new ATOM 0 HE ARG A 106 9.054 -9.941 6.391 1.00 1.63 H new ATOM 0 HH11 ARG A 106 6.625 -8.926 8.744 1.00 2.11 H new ATOM 0 HH12 ARG A 106 7.720 -9.092 10.120 1.00 2.11 H new ATOM 0 HH21 ARG A 106 10.455 -10.151 8.164 1.00 2.44 H new ATOM 0 HH22 ARG A 106 9.878 -9.783 9.793 1.00 2.44 H new ATOM 1693 N TYR A 107 5.099 -4.545 6.216 1.00 0.36 N ATOM 1694 CA TYR A 107 5.551 -3.445 7.058 1.00 0.35 C ATOM 1695 C TYR A 107 5.264 -2.088 6.430 1.00 0.29 C ATOM 1696 O TYR A 107 6.069 -1.571 5.653 1.00 0.31 O ATOM 1697 CB TYR A 107 7.048 -3.565 7.326 1.00 0.44 C ATOM 1698 CG TYR A 107 7.535 -2.600 8.376 1.00 0.50 C ATOM 1699 CD1 TYR A 107 7.396 -2.893 9.723 1.00 1.24 C ATOM 1700 CD2 TYR A 107 8.122 -1.392 8.022 1.00 0.92 C ATOM 1701 CE1 TYR A 107 7.830 -2.012 10.690 1.00 1.29 C ATOM 1702 CE2 TYR A 107 8.561 -0.505 8.982 1.00 0.98 C ATOM 1703 CZ TYR A 107 8.414 -0.819 10.316 1.00 0.69 C ATOM 1704 OH TYR A 107 8.848 0.062 11.279 1.00 0.81 O ATOM 0 H TYR A 107 4.882 -4.285 5.254 1.00 0.36 H new ATOM 0 HA TYR A 107 4.996 -3.511 7.994 1.00 0.35 H new ATOM 0 HB2 TYR A 107 7.275 -4.583 7.642 1.00 0.44 H new ATOM 0 HB3 TYR A 107 7.593 -3.390 6.398 1.00 0.44 H new ATOM 0 HD1 TYR A 107 6.941 -3.826 10.020 1.00 1.24 H new ATOM 0 HD2 TYR A 107 8.236 -1.143 6.977 1.00 0.92 H new ATOM 0 HE1 TYR A 107 7.714 -2.254 11.736 1.00 1.29 H new ATOM 0 HE2 TYR A 107 9.017 0.430 8.691 1.00 0.98 H new ATOM 0 HH TYR A 107 9.236 0.852 10.848 1.00 0.81 H new ATOM 1714 N PRO A 108 4.117 -1.483 6.766 1.00 0.26 N ATOM 1715 CA PRO A 108 3.737 -0.170 6.249 1.00 0.24 C ATOM 1716 C PRO A 108 4.829 0.873 6.474 1.00 0.27 C ATOM 1717 O PRO A 108 5.064 1.297 7.604 1.00 0.46 O ATOM 1718 CB PRO A 108 2.494 0.199 7.072 1.00 0.27 C ATOM 1719 CG PRO A 108 2.468 -0.766 8.207 1.00 0.30 C ATOM 1720 CD PRO A 108 3.097 -2.014 7.677 1.00 0.30 C ATOM 0 HA PRO A 108 3.565 -0.196 5.173 1.00 0.24 H new ATOM 0 HB2 PRO A 108 2.552 1.226 7.431 1.00 0.27 H new ATOM 0 HB3 PRO A 108 1.588 0.122 6.471 1.00 0.27 H new ATOM 0 HG2 PRO A 108 3.020 -0.380 9.064 1.00 0.30 H new ATOM 0 HG3 PRO A 108 1.448 -0.951 8.542 1.00 0.30 H new ATOM 0 HD2 PRO A 108 3.535 -2.618 8.471 1.00 0.30 H new ATOM 0 HD3 PRO A 108 2.376 -2.645 7.158 1.00 0.30 H new ATOM 1728 N VAL A 109 5.481 1.298 5.399 1.00 0.32 N ATOM 1729 CA VAL A 109 6.519 2.299 5.488 1.00 0.35 C ATOM 1730 C VAL A 109 5.891 3.666 5.669 1.00 0.39 C ATOM 1731 O VAL A 109 4.958 4.026 4.953 1.00 0.45 O ATOM 1732 CB VAL A 109 7.394 2.297 4.224 1.00 0.40 C ATOM 1733 CG1 VAL A 109 7.920 3.689 3.919 1.00 1.29 C ATOM 1734 CG2 VAL A 109 8.529 1.302 4.378 1.00 1.44 C ATOM 0 H VAL A 109 5.303 0.959 4.454 1.00 0.32 H new ATOM 0 HA VAL A 109 7.151 2.066 6.345 1.00 0.35 H new ATOM 0 HB VAL A 109 6.779 1.990 3.378 1.00 0.40 H new ATOM 0 HG11 VAL A 109 8.535 3.657 3.020 1.00 1.29 H new ATOM 0 HG12 VAL A 109 7.082 4.368 3.761 1.00 1.29 H new ATOM 0 HG13 VAL A 109 8.520 4.043 4.757 1.00 1.29 H new ATOM 0 HG21 VAL A 109 9.143 1.308 3.477 1.00 1.44 H new ATOM 0 HG22 VAL A 109 9.141 1.578 5.236 1.00 1.44 H new ATOM 0 HG23 VAL A 109 8.119 0.304 4.531 1.00 1.44 H new ATOM 1744 N CYS A 110 6.391 4.423 6.630 1.00 0.50 N ATOM 1745 CA CYS A 110 5.858 5.744 6.888 1.00 0.61 C ATOM 1746 C CYS A 110 6.964 6.781 6.794 1.00 0.67 C ATOM 1747 O CYS A 110 7.569 7.164 7.795 1.00 0.77 O ATOM 1748 CB CYS A 110 5.187 5.788 8.264 1.00 0.74 C ATOM 1749 SG CYS A 110 5.428 7.341 9.158 1.00 1.25 S ATOM 0 H CYS A 110 7.160 4.146 7.240 1.00 0.50 H new ATOM 0 HA CYS A 110 5.105 5.974 6.135 1.00 0.61 H new ATOM 0 HB2 CYS A 110 4.118 5.616 8.140 1.00 0.74 H new ATOM 0 HB3 CYS A 110 5.574 4.969 8.871 1.00 0.74 H new ATOM 0 HG CYS A 110 6.682 7.681 9.107 1.00 1.25 H new ATOM 1755 N GLY A 111 7.218 7.225 5.572 1.00 0.67 N ATOM 1756 CA GLY A 111 8.251 8.216 5.338 1.00 0.77 C ATOM 1757 C GLY A 111 7.990 9.513 6.078 1.00 1.50 C ATOM 1758 O GLY A 111 7.623 9.501 7.254 1.00 2.39 O ATOM 0 H GLY A 111 6.725 6.916 4.734 1.00 0.67 H new ATOM 0 HA2 GLY A 111 9.215 7.812 5.649 1.00 0.77 H new ATOM 0 HA3 GLY A 111 8.320 8.419 4.269 1.00 0.77 H new HETATM 1762 N NH2 A 112 8.178 10.638 5.400 1.00 2.06 N TER 1765 NH2 A 112 CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 1 CONECT 1757 1762 CONECT 1762 1757 1763 1764 CONECT 1763 1762 CONECT 1764 1762 END