USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) HEADER TRANSFERASE 30-APR-04 1T4Y TITLE SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF SYNECHOCOCCUS ELONGATUS TITLE 2 SASA (AVERAGE MINIMIZED STRUCTURE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: ADAPTIVE-RESPONSE SENSORY-KINASE SASA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN; COMPND 5 EC: 2.7.-.-; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; SOURCE 3 ORGANISM_TAXID: 1140; SOURCE 4 STRAIN: PCC 7942; SOURCE 5 GENE: SASA, SARS; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET32A+ KEYWDS ALPHA/BETA PROTEIN, THIOREDOXIN FOLD, TRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR I.VAKONAKIS,D.A.KLEWER,A.C.LIWANG REVDAT 3 13-JUL-11 1T4Y 1 VERSN REVDAT 2 24-FEB-09 1T4Y 1 VERSN REVDAT 1 16-NOV-04 1T4Y 0 JRNL AUTH I.VAKONAKIS,D.A.KLEWER,S.B.WILLIAMS,S.S.GOLDEN,A.C.LIWANG JRNL TITL STRUCTURE OF THE N-TERMINAL DOMAIN OF THE CIRCADIAN JRNL TITL 2 CLOCK-ASSOCIATED HISTIDINE KINASE SASA. JRNL REF J.MOL.BIOL. V. 342 9 2004 JRNL REFN ISSN 0022-2836 JRNL PMID 15313603 JRNL DOI 10.1016/J.JMB.2004.07.010 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR-NIH 2.9.1 REMARK 3 AUTHORS : CLORE, KUSZEWSKI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON 2267 REMARK 3 RESTRAINTS, 1764 WERE NOE, 197 DIHEDRAL ANGLES, 71 COUPLINGS, 198 REMARK 3 CHEMICAL SHIFTS AND 34 HYDROGEN BONDS REMARK 4 REMARK 4 1T4Y COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAY-04. REMARK 100 THE RCSB ID CODE IS RCSB022317. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 MM NACL, 20 MM NAPI REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.8MM N-SASA U-15N, 13C, 20MM REMARK 210 PHOSPHATE BUFFER PH 7.0, 100MM REMARK 210 NACL, 95% H2O, 5% D2O; 0.8MM N- REMARK 210 SASA U-15N, 13C, 20MM PHOSPHATE REMARK 210 BUFFER PH 7.0, 100MM NACL, 100% REMARK 210 D2O; 0.8MM N-SASA U-15N, 20MM REMARK 210 PHOSPHATE BUFFER PH 7.0, 100MM REMARK 210 NACL, 95% H2O, 5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 4D_13C/15N-SEPARATED_NOESY; 4D_ REMARK 210 13C-SEPARATED_NOESY; 3D_15N- REMARK 210 SEPARATED_NOESY; HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1 REC. C, NMRPIPE 2.1 REMARK 210 REV. 2002.044.17.08, PIPP 4.2.6, REMARK 210 XPLOR-NIH 2.9.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, SLOW REFINEMENT IN THE REMARK 210 PRESENCE OF DATABASE POTENTIALS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 GLU A 102 H ILE A 104 0.32 REMARK 500 O SER A 2 H LEU A 4 0.74 REMARK 500 O GLN A 101 H GLY A 103 1.13 REMARK 500 O SER A 2 N LEU A 4 1.15 REMARK 500 HG SER A 82 H GLY A 83 1.19 REMARK 500 O GLU A 102 N ILE A 104 1.20 REMARK 500 O ASP A 20 HG1 THR A 21 1.24 REMARK 500 C GLU A 102 H ILE A 104 1.25 REMARK 500 O VAL A 99 H GLN A 101 1.26 REMARK 500 HG12 VAL A 99 HG3 GLN A 101 1.29 REMARK 500 C SER A 2 H LEU A 4 1.31 REMARK 500 HH11 ARG A 22 HD3 PRO A 68 1.38 REMARK 500 HE21 GLN A 16 HD13 ILE A 50 1.39 REMARK 500 H LEU A 70 O LEU A 81 1.42 REMARK 500 HG11 VAL A 59 O LEU A 64 1.43 REMARK 500 HD11 LEU A 58 HG21 VAL A 59 1.43 REMARK 500 O GLY A 83 H ASP A 85 1.45 REMARK 500 HE22 GLN A 79 OE1 GLN A 93 1.46 REMARK 500 O LEU A 90 H LEU A 94 1.46 REMARK 500 O TRP A 97 HG3 GLN A 100 1.47 REMARK 500 HD13 LEU A 58 N VAL A 59 1.47 REMARK 500 H LEU A 14 O GLY A 74 1.48 REMARK 500 HD23 LEU A 15 HD21 LEU A 70 1.48 REMARK 500 O LEU A 86 H LEU A 90 1.50 REMARK 500 HG SER A 3 HG SER A 5 1.51 REMARK 500 HD12 LEU A 15 H GLN A 16 1.53 REMARK 500 O PRO A 6 HB2 GLN A 7 1.55 REMARK 500 H1 GLY A 1 HD22 LEU A 4 1.56 REMARK 500 O LEU A 24 H ILE A 28 1.56 REMARK 500 O GLN A 89 H GLN A 93 1.57 REMARK 500 HG2 ARG A 22 HG SER A 25 1.57 REMARK 500 O VAL A 99 N GLN A 101 1.57 REMARK 500 HB2 LEU A 70 HD23 LEU A 86 1.59 REMARK 500 O GLN A 101 N GLY A 103 1.85 REMARK 500 O GLY A 83 N ASP A 85 1.90 REMARK 500 O SER A 2 CA LEU A 4 2.04 REMARK 500 O GLN A 30 ND2 ASN A 34 2.11 REMARK 500 O SER A 2 N SER A 5 2.16 REMARK 500 O TRP A 97 CG GLN A 100 2.18 REMARK 500 O SER A 82 OD1 ASP A 85 2.18 REMARK 500 O GLU A 102 CA ILE A 104 2.19 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 SER A 2 166.14 -26.75 REMARK 500 SER A 3 19.69 -0.30 REMARK 500 LEU A 4 -7.37 92.73 REMARK 500 PRO A 6 45.55 -77.59 REMARK 500 GLN A 7 130.48 155.88 REMARK 500 GLU A 40 -107.04 34.70 REMARK 500 ALA A 41 169.77 82.85 REMARK 500 ARG A 63 3.38 54.39 REMARK 500 ILE A 84 5.72 31.83 REMARK 500 GLN A 100 41.46 -8.81 REMARK 500 GLU A 102 56.04 -40.29 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 22 0.28 SIDE CHAIN REMARK 500 ARG A 31 0.20 SIDE CHAIN REMARK 500 ARG A 63 0.28 SIDE CHAIN REMARK 500 ARG A 78 0.12 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1T4Z RELATED DB: PDB DBREF 1T4Y A 3 102 UNP Q06904 SASA_SYNP7 4 103 SEQADV 1T4Y GLY A 1 UNP Q06904 CLONING ARTIFACT SEQADV 1T4Y SER A 2 UNP Q06904 CLONING ARTIFACT SEQADV 1T4Y GLY A 103 UNP Q06904 CLONING ARTIFACT SEQADV 1T4Y ILE A 104 UNP Q06904 CLONING ARTIFACT SEQADV 1T4Y PHE A 105 UNP Q06904 CLONING ARTIFACT SEQRES 1 A 105 GLY SER SER LEU SER PRO GLN ALA LEU ALA GLN PRO LEU SEQRES 2 A 105 LEU LEU GLN LEU PHE VAL ASP THR ARG PRO LEU SER GLN SEQRES 3 A 105 HIS ILE VAL GLN ARG VAL LYS ASN ILE LEU ALA ALA VAL SEQRES 4 A 105 GLU ALA THR VAL PRO ILE SER LEU GLN VAL ILE ASN VAL SEQRES 5 A 105 ALA ASP GLN PRO GLN LEU VAL GLU TYR TYR ARG LEU VAL SEQRES 6 A 105 VAL THR PRO ALA LEU VAL LYS ILE GLY PRO GLY SER ARG SEQRES 7 A 105 GLN VAL LEU SER GLY ILE ASP LEU THR ASP GLN LEU ALA SEQRES 8 A 105 ASN GLN LEU PRO GLN TRP LEU VAL GLN GLN GLU GLY ILE SEQRES 9 A 105 PHE HELIX 1 1 GLY A 1 SER A 5 5 5 HELIX 2 2 ARG A 22 GLU A 40 1 19 HELIX 3 3 GLN A 55 TYR A 62 1 8 HELIX 4 4 ASP A 85 VAL A 99 1 15 SHEET 1 A 4 ILE A 45 ASN A 51 0 SHEET 2 A 4 LEU A 13 VAL A 19 1 N LEU A 13 O SER A 46 SHEET 3 A 4 ALA A 69 GLY A 74 -1 O GLY A 74 N LEU A 14 SHEET 4 A 4 GLN A 79 SER A 82 -1 O LEU A 81 N LEU A 70 CISPEP 1 THR A 67 PRO A 68 0 0.87 CISPEP 2 GLY A 74 PRO A 75 0 0.54 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 4 LEU H : A 4 LEU N : A 2 SER O :(H bumps) USER MOD NoAdj-H: A 101 GLN H : A 101 GLN N : A 99 VAL O :(H bumps) USER MOD NoAdj-H: A 104 ILE H : A 104 ILE N : A 102 GLU O :(H bumps) USER MOD Set 1.1: A 79 GLN : amide:sc= -2.31! C(o=-6.3!,f=-12!) USER MOD Set 1.2: A 93 GLN : amide:sc= -3.8! C(o=-6.3!,f=-15!) USER MOD Set 1.3: A 96 GLN : amide:sc= -0.162 K(o=-6.3,f=-13!) USER MOD Set 2.1: A 3 SER OG : rot 62:sc= 1.71 USER MOD Set 2.2: A 5 SER OG : rot 87:sc= 0.706 USER MOD Single : A 1 GLY N :NH3+ 167:sc= -3.53! (180deg=-3.9!) USER MOD Single : A 2 SER OG : rot 100:sc= 1.1 USER MOD Single : A 7 GLN : amide:sc= -7.96! C(o=-8!,f=-16!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.27 F(o=-1.1,f=-0.27) USER MOD Single : A 16 GLN :FLIP amide:sc= -4.28! C(o=-6.6!,f=-4.3!) USER MOD Single : A 21 THR OG1 : rot -49:sc= 0.169! USER MOD Single : A 25 SER OG : rot 59:sc= -6.55! USER MOD Single : A 26 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.59) USER MOD Single : A 27 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.18) USER MOD Single : A 30 GLN : amide:sc= -6.61! C(o=-6.6!,f=-13!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -7.13! C(o=-10!,f=-7.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.275 F(o=-0.9,f=-0.27) USER MOD Single : A 55 GLN : amide:sc= -2.03 K(o=-2,f=-2.6) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.11) USER MOD Single : A 77 SER OG : rot 180:sc= -0.393 USER MOD Single : A 82 SER OG : rot 67:sc= -6.21! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.13! C(o=-3.5!,f=-2.1!) USER MOD Single : A 92 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.4!) USER MOD Single : A 100 GLN : amide:sc= -0.0351 K(o=-0.035,f=-1.5!) USER MOD Single : A 101 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.650 9.517 -2.871 1.00 13.46 N ATOM 2 CA GLY A 1 -32.047 9.124 -1.560 1.00 13.07 C ATOM 3 C GLY A 1 -30.847 10.023 -1.264 1.00 12.38 C ATOM 4 O GLY A 1 -30.874 11.212 -1.589 1.00 12.28 O ATOM 0 H1 GLY A 1 -33.317 8.782 -3.181 1.00 13.46 H new ATOM 0 H2 GLY A 1 -33.155 10.420 -2.764 1.00 13.46 H new ATOM 0 H3 GLY A 1 -31.898 9.623 -3.581 1.00 13.46 H new ATOM 0 HA2 GLY A 1 -32.787 9.214 -0.765 1.00 13.07 H new ATOM 0 HA3 GLY A 1 -31.735 8.080 -1.589 1.00 13.07 H new ATOM 10 N SER A 2 -29.795 9.462 -0.646 1.00 12.09 N ATOM 11 CA SER A 2 -28.601 10.260 -0.330 1.00 11.64 C ATOM 12 C SER A 2 -28.498 11.411 -1.325 1.00 10.84 C ATOM 13 O SER A 2 -29.190 11.407 -2.342 1.00 10.86 O ATOM 14 CB SER A 2 -27.339 9.399 -0.406 1.00 11.88 C ATOM 15 OG SER A 2 -27.668 8.058 -0.082 1.00 11.96 O ATOM 0 H SER A 2 -29.746 8.484 -0.361 1.00 12.09 H new ATOM 0 HA SER A 2 -28.690 10.648 0.685 1.00 11.64 H new ATOM 0 HB2 SER A 2 -26.910 9.449 -1.407 1.00 11.88 H new ATOM 0 HB3 SER A 2 -26.584 9.777 0.283 1.00 11.88 H new ATOM 0 HG SER A 2 -27.757 7.535 -0.906 1.00 11.96 H new ATOM 21 N SER A 3 -27.652 12.405 -1.041 1.00 10.34 N ATOM 22 CA SER A 3 -27.543 13.528 -1.964 1.00 9.73 C ATOM 23 C SER A 3 -28.491 13.277 -3.130 1.00 9.13 C ATOM 24 O SER A 3 -28.335 13.832 -4.221 1.00 9.02 O ATOM 25 CB SER A 3 -26.106 13.673 -2.470 1.00 9.84 C ATOM 26 OG SER A 3 -26.053 13.305 -3.848 1.00 10.18 O ATOM 0 H SER A 3 -27.057 12.454 -0.214 1.00 10.34 H new ATOM 0 HA SER A 3 -27.810 14.454 -1.454 1.00 9.73 H new ATOM 0 HB2 SER A 3 -25.765 14.700 -2.343 1.00 9.84 H new ATOM 0 HB3 SER A 3 -25.437 13.040 -1.887 1.00 9.84 H new ATOM 0 HG SER A 3 -26.625 13.906 -4.369 1.00 10.18 H new ATOM 32 N LEU A 4 -29.452 12.392 -2.869 1.00 9.03 N ATOM 33 CA LEU A 4 -30.434 11.978 -3.852 1.00 8.78 C ATOM 34 C LEU A 4 -29.894 10.734 -4.532 1.00 8.12 C ATOM 35 O LEU A 4 -30.584 10.064 -5.301 1.00 8.38 O ATOM 36 CB LEU A 4 -30.714 13.086 -4.865 1.00 9.09 C ATOM 37 CG LEU A 4 -32.073 12.829 -5.528 1.00 9.24 C ATOM 38 CD1 LEU A 4 -31.905 12.786 -7.041 1.00 9.65 C ATOM 39 CD2 LEU A 4 -32.667 11.499 -5.031 1.00 9.56 C ATOM 0 HA LEU A 4 -31.386 11.764 -3.366 1.00 8.78 H new ATOM 0 HB2 LEU A 4 -30.715 14.057 -4.369 1.00 9.09 H new ATOM 0 HB3 LEU A 4 -29.927 13.114 -5.619 1.00 9.09 H new ATOM 0 HG LEU A 4 -32.754 13.638 -5.262 1.00 9.24 H new ATOM 0 HD11 LEU A 4 -32.872 12.603 -7.509 1.00 9.65 H new ATOM 0 HD12 LEU A 4 -31.507 13.739 -7.390 1.00 9.65 H new ATOM 0 HD13 LEU A 4 -31.215 11.985 -7.308 1.00 9.65 H new ATOM 0 HD21 LEU A 4 -33.631 11.330 -5.510 1.00 9.56 H new ATOM 0 HD22 LEU A 4 -31.990 10.682 -5.280 1.00 9.56 H new ATOM 0 HD23 LEU A 4 -32.801 11.542 -3.950 1.00 9.56 H new ATOM 51 N SER A 5 -28.637 10.430 -4.193 1.00 7.49 N ATOM 52 CA SER A 5 -27.945 9.257 -4.716 1.00 7.01 C ATOM 53 C SER A 5 -28.085 8.096 -3.728 1.00 6.45 C ATOM 54 O SER A 5 -27.892 8.264 -2.519 1.00 6.24 O ATOM 55 CB SER A 5 -26.461 9.571 -4.929 1.00 7.05 C ATOM 56 OG SER A 5 -26.309 10.933 -5.314 1.00 7.16 O ATOM 0 H SER A 5 -28.076 10.990 -3.551 1.00 7.49 H new ATOM 0 HA SER A 5 -28.390 8.980 -5.672 1.00 7.01 H new ATOM 0 HB2 SER A 5 -25.903 9.378 -4.013 1.00 7.05 H new ATOM 0 HB3 SER A 5 -26.048 8.918 -5.697 1.00 7.05 H new ATOM 0 HG SER A 5 -26.252 11.495 -4.513 1.00 7.16 H new ATOM 62 N PRO A 6 -28.445 6.944 -4.223 1.00 6.53 N ATOM 63 CA PRO A 6 -28.677 5.716 -3.401 1.00 6.37 C ATOM 64 C PRO A 6 -27.409 4.998 -2.948 1.00 5.91 C ATOM 65 O PRO A 6 -27.343 3.770 -3.030 1.00 5.98 O ATOM 66 CB PRO A 6 -29.477 4.786 -4.326 1.00 6.99 C ATOM 67 CG PRO A 6 -29.663 5.517 -5.624 1.00 7.44 C ATOM 68 CD PRO A 6 -28.672 6.684 -5.640 1.00 7.18 C ATOM 0 HA PRO A 6 -29.181 5.992 -2.475 1.00 6.37 H new ATOM 0 HB2 PRO A 6 -28.945 3.848 -4.484 1.00 6.99 H new ATOM 0 HB3 PRO A 6 -30.441 4.536 -3.882 1.00 6.99 H new ATOM 0 HG2 PRO A 6 -29.485 4.851 -6.468 1.00 7.44 H new ATOM 0 HG3 PRO A 6 -30.686 5.881 -5.716 1.00 7.44 H new ATOM 0 HD2 PRO A 6 -27.748 6.421 -6.155 1.00 7.18 H new ATOM 0 HD3 PRO A 6 -29.084 7.556 -6.149 1.00 7.18 H new ATOM 76 N GLN A 7 -26.413 5.717 -2.449 1.00 5.77 N ATOM 77 CA GLN A 7 -25.220 5.016 -2.001 1.00 5.59 C ATOM 78 C GLN A 7 -23.964 5.862 -1.994 1.00 4.70 C ATOM 79 O GLN A 7 -23.582 6.461 -3.002 1.00 4.85 O ATOM 80 CB GLN A 7 -24.974 3.814 -2.912 1.00 6.28 C ATOM 81 CG GLN A 7 -24.611 2.601 -2.058 1.00 7.21 C ATOM 82 CD GLN A 7 -25.197 2.743 -0.659 1.00 8.08 C ATOM 83 OE1 GLN A 7 -25.845 3.745 -0.348 1.00 8.40 O ATOM 84 NE2 GLN A 7 -25.006 1.786 0.205 1.00 8.73 N ATOM 0 H GLN A 7 -26.402 6.732 -2.347 1.00 5.77 H new ATOM 0 HA GLN A 7 -25.415 4.725 -0.969 1.00 5.59 H new ATOM 0 HB2 GLN A 7 -25.865 3.603 -3.504 1.00 6.28 H new ATOM 0 HB3 GLN A 7 -24.169 4.033 -3.614 1.00 6.28 H new ATOM 0 HG2 GLN A 7 -24.988 1.692 -2.527 1.00 7.21 H new ATOM 0 HG3 GLN A 7 -23.527 2.502 -1.997 1.00 7.21 H new ATOM 0 HE21 GLN A 7 -24.469 0.960 -0.059 1.00 8.73 H new ATOM 0 HE22 GLN A 7 -25.394 1.863 1.145 1.00 8.73 H new ATOM 93 N ALA A 8 -23.271 5.813 -0.868 1.00 4.14 N ATOM 94 CA ALA A 8 -21.995 6.477 -0.740 1.00 3.53 C ATOM 95 C ALA A 8 -20.962 5.476 -1.223 1.00 2.91 C ATOM 96 O ALA A 8 -20.760 4.433 -0.595 1.00 2.85 O ATOM 97 CB ALA A 8 -21.734 6.875 0.717 1.00 3.99 C ATOM 0 H ALA A 8 -23.576 5.317 -0.030 1.00 4.14 H new ATOM 0 HA ALA A 8 -21.960 7.398 -1.322 1.00 3.53 H new ATOM 0 HB1 ALA A 8 -20.768 7.374 0.790 1.00 3.99 H new ATOM 0 HB2 ALA A 8 -22.518 7.552 1.055 1.00 3.99 H new ATOM 0 HB3 ALA A 8 -21.730 5.983 1.343 1.00 3.99 H new ATOM 103 N LEU A 9 -20.359 5.746 -2.369 1.00 2.61 N ATOM 104 CA LEU A 9 -19.417 4.794 -2.932 1.00 2.14 C ATOM 105 C LEU A 9 -18.197 4.669 -2.050 1.00 1.68 C ATOM 106 O LEU A 9 -17.736 5.642 -1.454 1.00 1.71 O ATOM 107 CB LEU A 9 -18.985 5.225 -4.335 1.00 2.33 C ATOM 108 CG LEU A 9 -18.617 6.711 -4.325 1.00 2.58 C ATOM 109 CD1 LEU A 9 -17.389 6.945 -5.210 1.00 3.03 C ATOM 110 CD2 LEU A 9 -19.792 7.538 -4.855 1.00 3.27 C ATOM 0 H LEU A 9 -20.500 6.595 -2.916 1.00 2.61 H new ATOM 0 HA LEU A 9 -19.917 3.827 -2.994 1.00 2.14 H new ATOM 0 HB2 LEU A 9 -18.132 4.631 -4.662 1.00 2.33 H new ATOM 0 HB3 LEU A 9 -19.791 5.044 -5.046 1.00 2.33 H new ATOM 0 HG LEU A 9 -18.391 7.016 -3.303 1.00 2.58 H new ATOM 0 HD11 LEU A 9 -17.130 8.004 -5.200 1.00 3.03 H new ATOM 0 HD12 LEU A 9 -16.550 6.363 -4.829 1.00 3.03 H new ATOM 0 HD13 LEU A 9 -17.612 6.635 -6.231 1.00 3.03 H new ATOM 0 HD21 LEU A 9 -19.526 8.595 -4.846 1.00 3.27 H new ATOM 0 HD22 LEU A 9 -20.023 7.230 -5.875 1.00 3.27 H new ATOM 0 HD23 LEU A 9 -20.665 7.378 -4.222 1.00 3.27 H new ATOM 122 N ALA A 10 -17.686 3.454 -1.965 1.00 1.36 N ATOM 123 CA ALA A 10 -16.526 3.193 -1.146 1.00 1.02 C ATOM 124 C ALA A 10 -15.361 4.039 -1.629 1.00 0.81 C ATOM 125 O ALA A 10 -15.214 4.285 -2.826 1.00 0.97 O ATOM 126 CB ALA A 10 -16.161 1.713 -1.226 1.00 0.93 C ATOM 0 H ALA A 10 -18.057 2.638 -2.452 1.00 1.36 H new ATOM 0 HA ALA A 10 -16.750 3.449 -0.110 1.00 1.02 H new ATOM 0 HB1 ALA A 10 -15.285 1.520 -0.607 1.00 0.93 H new ATOM 0 HB2 ALA A 10 -16.997 1.112 -0.869 1.00 0.93 H new ATOM 0 HB3 ALA A 10 -15.940 1.448 -2.260 1.00 0.93 H new ATOM 132 N GLN A 11 -14.540 4.488 -0.696 1.00 0.71 N ATOM 133 CA GLN A 11 -13.403 5.313 -1.053 1.00 0.68 C ATOM 134 C GLN A 11 -12.297 4.433 -1.597 1.00 0.53 C ATOM 135 O GLN A 11 -11.917 3.438 -0.979 1.00 0.51 O ATOM 136 CB GLN A 11 -12.909 6.075 0.175 1.00 0.83 C ATOM 137 CG GLN A 11 -14.116 6.533 0.991 1.00 0.83 C ATOM 138 CD GLN A 11 -14.139 8.054 1.087 1.00 1.23 C ATOM 139 OE1 GLN A 11 -13.015 8.716 1.105 1.00 1.81 O flip ATOM 140 NE2 GLN A 11 -15.212 8.655 1.144 1.00 1.57 N flip ATOM 0 H GLN A 11 -14.638 4.298 0.301 1.00 0.71 H new ATOM 0 HA GLN A 11 -13.700 6.032 -1.816 1.00 0.68 H new ATOM 0 HB2 GLN A 11 -12.265 5.437 0.780 1.00 0.83 H new ATOM 0 HB3 GLN A 11 -12.312 6.934 -0.130 1.00 0.83 H new ATOM 0 HG2 GLN A 11 -15.035 6.177 0.526 1.00 0.83 H new ATOM 0 HG3 GLN A 11 -14.075 6.099 1.990 1.00 0.83 H new ATOM 0 HE21 GLN A 11 -16.089 8.135 1.130 1.00 1.57 H new ATOM 0 HE22 GLN A 11 -15.224 9.673 1.205 1.00 1.57 H new ATOM 149 N PRO A 12 -11.787 4.768 -2.745 1.00 0.51 N ATOM 150 CA PRO A 12 -10.716 3.985 -3.394 1.00 0.41 C ATOM 151 C PRO A 12 -9.693 3.507 -2.377 1.00 0.35 C ATOM 152 O PRO A 12 -9.404 4.200 -1.402 1.00 0.38 O ATOM 153 CB PRO A 12 -10.100 4.958 -4.413 1.00 0.46 C ATOM 154 CG PRO A 12 -10.865 6.247 -4.296 1.00 0.57 C ATOM 155 CD PRO A 12 -12.157 5.933 -3.546 1.00 0.64 C ATOM 0 HA PRO A 12 -11.089 3.078 -3.871 1.00 0.41 H new ATOM 0 HB2 PRO A 12 -9.041 5.116 -4.206 1.00 0.46 H new ATOM 0 HB3 PRO A 12 -10.171 4.556 -5.424 1.00 0.46 H new ATOM 0 HG2 PRO A 12 -10.280 6.995 -3.761 1.00 0.57 H new ATOM 0 HG3 PRO A 12 -11.082 6.658 -5.282 1.00 0.57 H new ATOM 0 HD2 PRO A 12 -12.477 6.768 -2.923 1.00 0.64 H new ATOM 0 HD3 PRO A 12 -12.978 5.712 -4.228 1.00 0.64 H new ATOM 163 N LEU A 13 -9.156 2.315 -2.595 1.00 0.30 N ATOM 164 CA LEU A 13 -8.182 1.769 -1.670 1.00 0.26 C ATOM 165 C LEU A 13 -6.951 2.662 -1.637 1.00 0.22 C ATOM 166 O LEU A 13 -6.355 2.956 -2.674 1.00 0.22 O ATOM 167 CB LEU A 13 -7.795 0.350 -2.090 1.00 0.25 C ATOM 168 CG LEU A 13 -6.982 -0.302 -0.975 1.00 0.25 C ATOM 169 CD1 LEU A 13 -6.616 -1.731 -1.381 1.00 0.28 C ATOM 170 CD2 LEU A 13 -5.709 0.513 -0.742 1.00 0.23 C ATOM 0 H LEU A 13 -9.376 1.718 -3.392 1.00 0.30 H new ATOM 0 HA LEU A 13 -8.619 1.729 -0.672 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -8.690 -0.238 -2.295 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -7.214 0.377 -3.012 1.00 0.25 H new ATOM 0 HG LEU A 13 -7.569 -0.330 -0.057 1.00 0.25 H new ATOM 0 HD11 LEU A 13 -6.035 -2.198 -0.585 1.00 0.28 H new ATOM 0 HD12 LEU A 13 -7.527 -2.306 -1.551 1.00 0.28 H new ATOM 0 HD13 LEU A 13 -6.025 -1.709 -2.297 1.00 0.28 H new ATOM 0 HD21 LEU A 13 -5.123 0.053 0.054 1.00 0.23 H new ATOM 0 HD22 LEU A 13 -5.120 0.538 -1.659 1.00 0.23 H new ATOM 0 HD23 LEU A 13 -5.976 1.530 -0.455 1.00 0.23 H new ATOM 182 N LEU A 14 -6.585 3.107 -0.442 1.00 0.21 N ATOM 183 CA LEU A 14 -5.439 3.979 -0.292 1.00 0.20 C ATOM 184 C LEU A 14 -4.178 3.155 -0.094 1.00 0.19 C ATOM 185 O LEU A 14 -3.936 2.605 0.981 1.00 0.19 O ATOM 186 CB LEU A 14 -5.651 4.908 0.903 1.00 0.24 C ATOM 187 CG LEU A 14 -6.907 5.755 0.676 1.00 0.26 C ATOM 188 CD1 LEU A 14 -6.793 7.065 1.458 1.00 0.57 C ATOM 189 CD2 LEU A 14 -7.050 6.068 -0.816 1.00 0.49 C ATOM 0 H LEU A 14 -7.064 2.878 0.429 1.00 0.21 H new ATOM 0 HA LEU A 14 -5.327 4.579 -1.195 1.00 0.20 H new ATOM 0 HB2 LEU A 14 -5.754 4.324 1.817 1.00 0.24 H new ATOM 0 HB3 LEU A 14 -4.783 5.554 1.033 1.00 0.24 H new ATOM 0 HG LEU A 14 -7.781 5.201 1.020 1.00 0.26 H new ATOM 0 HD11 LEU A 14 -7.688 7.665 1.295 1.00 0.57 H new ATOM 0 HD12 LEU A 14 -6.692 6.847 2.521 1.00 0.57 H new ATOM 0 HD13 LEU A 14 -5.918 7.618 1.116 1.00 0.57 H new ATOM 0 HD21 LEU A 14 -7.944 6.671 -0.977 1.00 0.49 H new ATOM 0 HD22 LEU A 14 -6.174 6.619 -1.158 1.00 0.49 H new ATOM 0 HD23 LEU A 14 -7.134 5.137 -1.377 1.00 0.49 H new ATOM 201 N LEU A 15 -3.382 3.077 -1.149 1.00 0.18 N ATOM 202 CA LEU A 15 -2.144 2.321 -1.110 1.00 0.18 C ATOM 203 C LEU A 15 -0.972 3.233 -1.445 1.00 0.17 C ATOM 204 O LEU A 15 -1.076 4.094 -2.319 1.00 0.20 O ATOM 205 CB LEU A 15 -2.216 1.169 -2.118 1.00 0.21 C ATOM 206 CG LEU A 15 -1.097 0.167 -1.838 1.00 0.22 C ATOM 207 CD1 LEU A 15 0.253 0.834 -2.096 1.00 0.19 C ATOM 208 CD2 LEU A 15 -1.173 -0.287 -0.379 1.00 0.26 C ATOM 0 H LEU A 15 -3.573 3.529 -2.043 1.00 0.18 H new ATOM 0 HA LEU A 15 -2.000 1.914 -0.109 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -3.185 0.674 -2.051 1.00 0.21 H new ATOM 0 HB3 LEU A 15 -2.125 1.555 -3.133 1.00 0.21 H new ATOM 0 HG LEU A 15 -1.207 -0.698 -2.492 1.00 0.22 H new ATOM 0 HD11 LEU A 15 1.054 0.122 -1.897 1.00 0.19 H new ATOM 0 HD12 LEU A 15 0.306 1.159 -3.135 1.00 0.19 H new ATOM 0 HD13 LEU A 15 0.364 1.697 -1.440 1.00 0.19 H new ATOM 0 HD21 LEU A 15 -0.375 -1.002 -0.178 1.00 0.26 H new ATOM 0 HD22 LEU A 15 -1.060 0.576 0.277 1.00 0.26 H new ATOM 0 HD23 LEU A 15 -2.138 -0.759 -0.195 1.00 0.26 H new ATOM 220 N GLN A 16 0.137 3.051 -0.740 1.00 0.17 N ATOM 221 CA GLN A 16 1.312 3.879 -0.973 1.00 0.19 C ATOM 222 C GLN A 16 2.573 3.027 -1.012 1.00 0.17 C ATOM 223 O GLN A 16 2.563 1.864 -0.607 1.00 0.25 O ATOM 224 CB GLN A 16 1.435 4.932 0.130 1.00 0.25 C ATOM 225 CG GLN A 16 0.477 6.087 -0.163 1.00 0.29 C ATOM 226 CD GLN A 16 0.421 7.035 1.030 1.00 0.36 C ATOM 227 OE1 GLN A 16 1.436 7.102 1.848 1.00 1.09 O flip ATOM 228 NE2 GLN A 16 -0.575 7.733 1.221 1.00 1.25 N flip ATOM 0 H GLN A 16 0.247 2.346 -0.011 1.00 0.17 H new ATOM 0 HA GLN A 16 1.197 4.375 -1.937 1.00 0.19 H new ATOM 0 HB2 GLN A 16 1.203 4.489 1.099 1.00 0.25 H new ATOM 0 HB3 GLN A 16 2.460 5.300 0.185 1.00 0.25 H new ATOM 0 HG2 GLN A 16 0.806 6.626 -1.051 1.00 0.29 H new ATOM 0 HG3 GLN A 16 -0.519 5.699 -0.376 1.00 0.29 H new ATOM 0 HE21 GLN A 16 -1.367 7.678 0.580 1.00 1.25 H new ATOM 0 HE22 GLN A 16 -0.609 8.366 2.020 1.00 1.25 H new ATOM 237 N LEU A 17 3.654 3.614 -1.511 1.00 0.16 N ATOM 238 CA LEU A 17 4.920 2.901 -1.612 1.00 0.15 C ATOM 239 C LEU A 17 6.090 3.849 -1.370 1.00 0.15 C ATOM 240 O LEU A 17 6.214 4.880 -2.033 1.00 0.17 O ATOM 241 CB LEU A 17 5.045 2.274 -3.002 1.00 0.15 C ATOM 242 CG LEU A 17 6.347 1.478 -3.094 1.00 0.16 C ATOM 243 CD1 LEU A 17 6.194 0.159 -2.336 1.00 0.18 C ATOM 244 CD2 LEU A 17 6.659 1.187 -4.564 1.00 0.19 C ATOM 0 H LEU A 17 3.679 4.576 -1.850 1.00 0.16 H new ATOM 0 HA LEU A 17 4.943 2.119 -0.853 1.00 0.15 H new ATOM 0 HB2 LEU A 17 4.194 1.621 -3.195 1.00 0.15 H new ATOM 0 HB3 LEU A 17 5.029 3.052 -3.765 1.00 0.15 H new ATOM 0 HG LEU A 17 7.160 2.056 -2.654 1.00 0.16 H new ATOM 0 HD11 LEU A 17 7.122 -0.408 -2.402 1.00 0.18 H new ATOM 0 HD12 LEU A 17 5.968 0.365 -1.290 1.00 0.18 H new ATOM 0 HD13 LEU A 17 5.382 -0.421 -2.775 1.00 0.18 H new ATOM 0 HD21 LEU A 17 7.587 0.619 -4.634 1.00 0.19 H new ATOM 0 HD22 LEU A 17 5.846 0.608 -5.001 1.00 0.19 H new ATOM 0 HD23 LEU A 17 6.767 2.127 -5.106 1.00 0.19 H new ATOM 256 N PHE A 18 6.949 3.490 -0.422 1.00 0.16 N ATOM 257 CA PHE A 18 8.110 4.313 -0.106 1.00 0.19 C ATOM 258 C PHE A 18 9.322 3.821 -0.888 1.00 0.17 C ATOM 259 O PHE A 18 9.718 2.662 -0.769 1.00 0.19 O ATOM 260 CB PHE A 18 8.408 4.248 1.394 1.00 0.27 C ATOM 261 CG PHE A 18 7.427 5.117 2.144 1.00 0.35 C ATOM 262 CD1 PHE A 18 6.196 4.590 2.554 1.00 0.60 C ATOM 263 CD2 PHE A 18 7.750 6.448 2.434 1.00 0.37 C ATOM 264 CE1 PHE A 18 5.288 5.395 3.251 1.00 0.70 C ATOM 265 CE2 PHE A 18 6.841 7.254 3.131 1.00 0.44 C ATOM 266 CZ PHE A 18 5.611 6.726 3.542 1.00 0.56 C ATOM 0 H PHE A 18 6.864 2.641 0.137 1.00 0.16 H new ATOM 0 HA PHE A 18 7.895 5.345 -0.384 1.00 0.19 H new ATOM 0 HB2 PHE A 18 8.339 3.218 1.744 1.00 0.27 H new ATOM 0 HB3 PHE A 18 9.427 4.583 1.587 1.00 0.27 H new ATOM 0 HD1 PHE A 18 5.947 3.563 2.332 1.00 0.60 H new ATOM 0 HD2 PHE A 18 8.701 6.853 2.120 1.00 0.37 H new ATOM 0 HE1 PHE A 18 4.337 4.989 3.565 1.00 0.70 H new ATOM 0 HE2 PHE A 18 7.089 8.282 3.351 1.00 0.44 H new ATOM 0 HZ PHE A 18 4.911 7.345 4.084 1.00 0.56 H new ATOM 276 N VAL A 19 9.900 4.703 -1.695 1.00 0.16 N ATOM 277 CA VAL A 19 11.058 4.331 -2.498 1.00 0.16 C ATOM 278 C VAL A 19 12.164 5.374 -2.381 1.00 0.19 C ATOM 279 O VAL A 19 11.927 6.507 -1.958 1.00 0.22 O ATOM 280 CB VAL A 19 10.645 4.189 -3.964 1.00 0.17 C ATOM 281 CG1 VAL A 19 9.398 3.308 -4.062 1.00 0.19 C ATOM 282 CG2 VAL A 19 10.335 5.573 -4.540 1.00 0.20 C ATOM 0 H VAL A 19 9.591 5.668 -1.810 1.00 0.16 H new ATOM 0 HA VAL A 19 11.439 3.380 -2.126 1.00 0.16 H new ATOM 0 HB VAL A 19 11.458 3.731 -4.527 1.00 0.17 H new ATOM 0 HG11 VAL A 19 9.105 3.208 -5.107 1.00 0.19 H new ATOM 0 HG12 VAL A 19 9.615 2.323 -3.650 1.00 0.19 H new ATOM 0 HG13 VAL A 19 8.584 3.765 -3.499 1.00 0.19 H new ATOM 0 HG21 VAL A 19 10.040 5.475 -5.585 1.00 0.20 H new ATOM 0 HG22 VAL A 19 9.522 6.028 -3.975 1.00 0.20 H new ATOM 0 HG23 VAL A 19 11.222 6.203 -4.471 1.00 0.20 H new ATOM 292 N ASP A 20 13.372 4.977 -2.769 1.00 0.22 N ATOM 293 CA ASP A 20 14.520 5.874 -2.720 1.00 0.26 C ATOM 294 C ASP A 20 14.939 6.266 -4.134 1.00 0.24 C ATOM 295 O ASP A 20 16.105 6.570 -4.387 1.00 0.31 O ATOM 296 CB ASP A 20 15.689 5.190 -2.009 1.00 0.35 C ATOM 297 CG ASP A 20 16.143 3.972 -2.807 1.00 0.43 C ATOM 298 OD1 ASP A 20 15.295 3.164 -3.150 1.00 1.20 O ATOM 299 OD2 ASP A 20 17.330 3.867 -3.065 1.00 1.15 O ATOM 0 H ASP A 20 13.580 4.042 -3.120 1.00 0.22 H new ATOM 0 HA ASP A 20 14.240 6.771 -2.168 1.00 0.26 H new ATOM 0 HB2 ASP A 20 16.517 5.890 -1.896 1.00 0.35 H new ATOM 0 HB3 ASP A 20 15.388 4.887 -1.006 1.00 0.35 H new ATOM 304 N THR A 21 13.977 6.254 -5.052 1.00 0.29 N ATOM 305 CA THR A 21 14.248 6.607 -6.442 1.00 0.34 C ATOM 306 C THR A 21 15.077 5.523 -7.129 1.00 0.29 C ATOM 307 O THR A 21 15.459 5.668 -8.291 1.00 0.34 O ATOM 308 CB THR A 21 14.999 7.939 -6.503 1.00 0.43 C ATOM 309 OG1 THR A 21 16.368 7.723 -6.190 1.00 0.41 O ATOM 310 CG2 THR A 21 14.391 8.917 -5.496 1.00 0.49 C ATOM 0 H THR A 21 13.007 6.005 -4.860 1.00 0.29 H new ATOM 0 HA THR A 21 13.295 6.698 -6.963 1.00 0.34 H new ATOM 0 HB THR A 21 14.917 8.357 -7.506 1.00 0.43 H new ATOM 0 HG1 THR A 21 16.436 7.196 -5.367 1.00 0.41 H new ATOM 0 HG21 THR A 21 14.927 9.865 -5.541 1.00 0.49 H new ATOM 0 HG22 THR A 21 13.341 9.082 -5.737 1.00 0.49 H new ATOM 0 HG23 THR A 21 14.471 8.502 -4.491 1.00 0.49 H new ATOM 318 N ARG A 22 15.349 4.438 -6.410 1.00 0.24 N ATOM 319 CA ARG A 22 16.131 3.340 -6.970 1.00 0.26 C ATOM 320 C ARG A 22 15.299 2.542 -7.972 1.00 0.25 C ATOM 321 O ARG A 22 14.124 2.258 -7.736 1.00 0.22 O ATOM 322 CB ARG A 22 16.618 2.417 -5.851 1.00 0.30 C ATOM 323 CG ARG A 22 15.441 1.609 -5.303 1.00 0.36 C ATOM 324 CD ARG A 22 15.801 1.049 -3.926 1.00 0.72 C ATOM 325 NE ARG A 22 16.564 -0.185 -4.071 1.00 1.36 N ATOM 326 CZ ARG A 22 17.316 -0.648 -3.079 1.00 1.87 C ATOM 327 NH1 ARG A 22 16.757 -1.078 -1.983 1.00 2.46 N ATOM 328 NH2 ARG A 22 18.614 -0.672 -3.200 1.00 2.24 N ATOM 0 H ARG A 22 15.043 4.296 -5.447 1.00 0.24 H new ATOM 0 HA ARG A 22 16.992 3.762 -7.488 1.00 0.26 H new ATOM 0 HB2 ARG A 22 17.388 1.745 -6.230 1.00 0.30 H new ATOM 0 HB3 ARG A 22 17.072 3.005 -5.053 1.00 0.30 H new ATOM 0 HG2 ARG A 22 14.556 2.241 -5.230 1.00 0.36 H new ATOM 0 HG3 ARG A 22 15.196 0.795 -5.985 1.00 0.36 H new ATOM 0 HD2 ARG A 22 16.383 1.782 -3.367 1.00 0.72 H new ATOM 0 HD3 ARG A 22 14.893 0.859 -3.353 1.00 0.72 H new ATOM 0 HE ARG A 22 16.519 -0.702 -4.949 1.00 1.36 H new ATOM 0 HH11 ARG A 22 15.742 -1.059 -1.887 1.00 2.46 H new ATOM 0 HH12 ARG A 22 17.335 -1.434 -1.221 1.00 2.46 H new ATOM 0 HH21 ARG A 22 19.053 -0.335 -4.057 1.00 2.24 H new ATOM 0 HH22 ARG A 22 19.191 -1.028 -2.438 1.00 2.24 H new ATOM 342 N PRO A 23 15.890 2.188 -9.082 1.00 0.29 N ATOM 343 CA PRO A 23 15.210 1.414 -10.157 1.00 0.30 C ATOM 344 C PRO A 23 14.432 0.224 -9.604 1.00 0.25 C ATOM 345 O PRO A 23 13.334 -0.081 -10.068 1.00 0.23 O ATOM 346 CB PRO A 23 16.347 0.935 -11.071 1.00 0.37 C ATOM 347 CG PRO A 23 17.629 1.442 -10.482 1.00 0.40 C ATOM 348 CD PRO A 23 17.276 2.492 -9.429 1.00 0.34 C ATOM 0 HA PRO A 23 14.475 2.026 -10.680 1.00 0.30 H new ATOM 0 HB2 PRO A 23 16.357 -0.153 -11.136 1.00 0.37 H new ATOM 0 HB3 PRO A 23 16.212 1.314 -12.084 1.00 0.37 H new ATOM 0 HG2 PRO A 23 18.192 0.624 -10.032 1.00 0.40 H new ATOM 0 HG3 PRO A 23 18.260 1.876 -11.257 1.00 0.40 H new ATOM 0 HD2 PRO A 23 17.930 2.422 -8.560 1.00 0.34 H new ATOM 0 HD3 PRO A 23 17.377 3.503 -9.823 1.00 0.34 H new ATOM 356 N LEU A 24 15.008 -0.445 -8.611 1.00 0.26 N ATOM 357 CA LEU A 24 14.355 -1.599 -8.008 1.00 0.24 C ATOM 358 C LEU A 24 12.954 -1.221 -7.538 1.00 0.19 C ATOM 359 O LEU A 24 11.996 -1.963 -7.752 1.00 0.19 O ATOM 360 CB LEU A 24 15.175 -2.106 -6.823 1.00 0.28 C ATOM 361 CG LEU A 24 14.576 -3.415 -6.313 1.00 0.31 C ATOM 362 CD1 LEU A 24 15.063 -4.575 -7.184 1.00 0.35 C ATOM 363 CD2 LEU A 24 15.017 -3.642 -4.867 1.00 0.36 C ATOM 0 H LEU A 24 15.916 -0.211 -8.211 1.00 0.26 H new ATOM 0 HA LEU A 24 14.281 -2.389 -8.755 1.00 0.24 H new ATOM 0 HB2 LEU A 24 16.211 -2.260 -7.124 1.00 0.28 H new ATOM 0 HB3 LEU A 24 15.182 -1.362 -6.027 1.00 0.28 H new ATOM 0 HG LEU A 24 13.488 -3.361 -6.360 1.00 0.31 H new ATOM 0 HD11 LEU A 24 14.635 -5.509 -6.819 1.00 0.35 H new ATOM 0 HD12 LEU A 24 14.751 -4.411 -8.215 1.00 0.35 H new ATOM 0 HD13 LEU A 24 16.151 -4.632 -7.139 1.00 0.35 H new ATOM 0 HD21 LEU A 24 14.591 -4.576 -4.499 1.00 0.36 H new ATOM 0 HD22 LEU A 24 16.105 -3.697 -4.823 1.00 0.36 H new ATOM 0 HD23 LEU A 24 14.670 -2.816 -4.247 1.00 0.36 H new ATOM 375 N SER A 25 12.840 -0.051 -6.914 1.00 0.19 N ATOM 376 CA SER A 25 11.547 0.424 -6.439 1.00 0.20 C ATOM 377 C SER A 25 10.631 0.640 -7.634 1.00 0.19 C ATOM 378 O SER A 25 9.487 0.185 -7.645 1.00 0.20 O ATOM 379 CB SER A 25 11.712 1.732 -5.666 1.00 0.25 C ATOM 380 OG SER A 25 13.050 2.193 -5.804 1.00 1.17 O ATOM 0 H SER A 25 13.620 0.579 -6.728 1.00 0.19 H new ATOM 0 HA SER A 25 11.113 -0.318 -5.770 1.00 0.20 H new ATOM 0 HB2 SER A 25 11.016 2.481 -6.043 1.00 0.25 H new ATOM 0 HB3 SER A 25 11.475 1.578 -4.613 1.00 0.25 H new ATOM 0 HG SER A 25 13.253 2.329 -6.753 1.00 1.17 H new ATOM 386 N GLN A 26 11.159 1.305 -8.658 1.00 0.20 N ATOM 387 CA GLN A 26 10.394 1.534 -9.873 1.00 0.22 C ATOM 388 C GLN A 26 10.117 0.185 -10.514 1.00 0.21 C ATOM 389 O GLN A 26 9.115 -0.010 -11.202 1.00 0.22 O ATOM 390 CB GLN A 26 11.187 2.419 -10.839 1.00 0.27 C ATOM 391 CG GLN A 26 11.745 3.624 -10.082 1.00 0.30 C ATOM 392 CD GLN A 26 11.067 4.902 -10.565 1.00 1.34 C ATOM 393 OE1 GLN A 26 10.848 5.074 -11.764 1.00 2.17 O ATOM 394 NE2 GLN A 26 10.719 5.813 -9.697 1.00 2.00 N ATOM 0 H GLN A 26 12.104 1.690 -8.669 1.00 0.20 H new ATOM 0 HA GLN A 26 9.459 2.042 -9.637 1.00 0.22 H new ATOM 0 HB2 GLN A 26 12.001 1.849 -11.287 1.00 0.27 H new ATOM 0 HB3 GLN A 26 10.545 2.753 -11.654 1.00 0.27 H new ATOM 0 HG2 GLN A 26 11.583 3.499 -9.011 1.00 0.30 H new ATOM 0 HG3 GLN A 26 12.822 3.693 -10.235 1.00 0.30 H new ATOM 0 HE21 GLN A 26 10.902 5.668 -8.704 1.00 2.00 H new ATOM 0 HE22 GLN A 26 10.264 6.670 -10.012 1.00 2.00 H new ATOM 403 N HIS A 27 11.022 -0.748 -10.243 1.00 0.19 N ATOM 404 CA HIS A 27 10.910 -2.108 -10.743 1.00 0.19 C ATOM 405 C HIS A 27 9.744 -2.793 -10.041 1.00 0.17 C ATOM 406 O HIS A 27 8.804 -3.281 -10.675 1.00 0.17 O ATOM 407 CB HIS A 27 12.208 -2.852 -10.425 1.00 0.22 C ATOM 408 CG HIS A 27 12.499 -3.879 -11.478 1.00 0.26 C ATOM 409 ND1 HIS A 27 11.503 -4.570 -12.149 1.00 0.31 N ATOM 410 CD2 HIS A 27 13.686 -4.344 -11.982 1.00 0.31 C ATOM 411 CE1 HIS A 27 12.106 -5.408 -13.014 1.00 0.36 C ATOM 412 NE2 HIS A 27 13.437 -5.310 -12.952 1.00 0.35 N ATOM 0 H HIS A 27 11.851 -0.581 -9.672 1.00 0.19 H new ATOM 0 HA HIS A 27 10.739 -2.108 -11.820 1.00 0.19 H new ATOM 0 HB2 HIS A 27 13.034 -2.143 -10.362 1.00 0.22 H new ATOM 0 HB3 HIS A 27 12.128 -3.335 -9.451 1.00 0.22 H new ATOM 0 HD2 HIS A 27 14.666 -4.011 -11.673 1.00 0.31 H new ATOM 0 HE1 HIS A 27 11.578 -6.078 -13.677 1.00 0.36 H new ATOM 0 HE2 HIS A 27 14.123 -5.831 -13.498 1.00 0.35 H new ATOM 420 N ILE A 28 9.814 -2.798 -8.715 1.00 0.17 N ATOM 421 CA ILE A 28 8.770 -3.393 -7.900 1.00 0.18 C ATOM 422 C ILE A 28 7.465 -2.632 -8.101 1.00 0.18 C ATOM 423 O ILE A 28 6.380 -3.209 -8.038 1.00 0.19 O ATOM 424 CB ILE A 28 9.178 -3.346 -6.428 1.00 0.21 C ATOM 425 CG1 ILE A 28 10.323 -4.334 -6.187 1.00 0.24 C ATOM 426 CG2 ILE A 28 7.984 -3.728 -5.552 1.00 0.25 C ATOM 427 CD1 ILE A 28 10.882 -4.134 -4.778 1.00 0.29 C ATOM 0 H ILE A 28 10.586 -2.395 -8.184 1.00 0.17 H new ATOM 0 HA ILE A 28 8.627 -4.432 -8.198 1.00 0.18 H new ATOM 0 HB ILE A 28 9.505 -2.338 -6.174 1.00 0.21 H new ATOM 0 HG12 ILE A 28 9.966 -5.357 -6.306 1.00 0.24 H new ATOM 0 HG13 ILE A 28 11.109 -4.183 -6.926 1.00 0.24 H new ATOM 0 HG21 ILE A 28 8.277 -3.694 -4.503 1.00 0.25 H new ATOM 0 HG22 ILE A 28 7.168 -3.027 -5.724 1.00 0.25 H new ATOM 0 HG23 ILE A 28 7.655 -4.736 -5.804 1.00 0.25 H new ATOM 0 HD11 ILE A 28 11.697 -4.837 -4.607 1.00 0.29 H new ATOM 0 HD12 ILE A 28 11.255 -3.115 -4.676 1.00 0.29 H new ATOM 0 HD13 ILE A 28 10.093 -4.307 -4.046 1.00 0.29 H new ATOM 439 N VAL A 29 7.583 -1.331 -8.355 1.00 0.18 N ATOM 440 CA VAL A 29 6.407 -0.500 -8.579 1.00 0.20 C ATOM 441 C VAL A 29 5.583 -1.078 -9.719 1.00 0.21 C ATOM 442 O VAL A 29 4.368 -1.239 -9.603 1.00 0.23 O ATOM 443 CB VAL A 29 6.830 0.930 -8.918 1.00 0.22 C ATOM 444 CG1 VAL A 29 5.619 1.716 -9.422 1.00 0.26 C ATOM 445 CG2 VAL A 29 7.390 1.605 -7.664 1.00 0.23 C ATOM 0 H VAL A 29 8.472 -0.835 -8.410 1.00 0.18 H new ATOM 0 HA VAL A 29 5.805 -0.483 -7.670 1.00 0.20 H new ATOM 0 HB VAL A 29 7.596 0.908 -9.693 1.00 0.22 H new ATOM 0 HG11 VAL A 29 5.921 2.735 -9.663 1.00 0.26 H new ATOM 0 HG12 VAL A 29 5.219 1.235 -10.315 1.00 0.26 H new ATOM 0 HG13 VAL A 29 4.852 1.739 -8.648 1.00 0.26 H new ATOM 0 HG21 VAL A 29 7.692 2.624 -7.904 1.00 0.23 H new ATOM 0 HG22 VAL A 29 6.624 1.626 -6.889 1.00 0.23 H new ATOM 0 HG23 VAL A 29 8.254 1.046 -7.305 1.00 0.23 H new ATOM 455 N GLN A 30 6.258 -1.411 -10.813 1.00 0.20 N ATOM 456 CA GLN A 30 5.580 -1.997 -11.960 1.00 0.22 C ATOM 457 C GLN A 30 4.884 -3.272 -11.525 1.00 0.21 C ATOM 458 O GLN A 30 3.742 -3.535 -11.902 1.00 0.24 O ATOM 459 CB GLN A 30 6.584 -2.313 -13.067 1.00 0.22 C ATOM 460 CG GLN A 30 7.124 -1.009 -13.646 1.00 0.26 C ATOM 461 CD GLN A 30 5.977 -0.036 -13.896 1.00 0.59 C ATOM 462 OE1 GLN A 30 5.063 0.069 -13.078 1.00 1.47 O ATOM 463 NE2 GLN A 30 5.969 0.684 -14.985 1.00 1.15 N ATOM 0 H GLN A 30 7.264 -1.287 -10.929 1.00 0.20 H new ATOM 0 HA GLN A 30 4.849 -1.287 -12.346 1.00 0.22 H new ATOM 0 HB2 GLN A 30 7.402 -2.915 -12.671 1.00 0.22 H new ATOM 0 HB3 GLN A 30 6.106 -2.901 -13.850 1.00 0.22 H new ATOM 0 HG2 GLN A 30 7.844 -0.566 -12.958 1.00 0.26 H new ATOM 0 HG3 GLN A 30 7.654 -1.207 -14.578 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.728 0.595 -15.661 1.00 1.15 H new ATOM 0 HE22 GLN A 30 5.204 1.336 -15.160 1.00 1.15 H new ATOM 472 N ARG A 31 5.581 -4.054 -10.708 1.00 0.20 N ATOM 473 CA ARG A 31 5.017 -5.297 -10.201 1.00 0.21 C ATOM 474 C ARG A 31 3.792 -4.988 -9.350 1.00 0.22 C ATOM 475 O ARG A 31 2.757 -5.643 -9.469 1.00 0.24 O ATOM 476 CB ARG A 31 6.051 -6.041 -9.356 1.00 0.22 C ATOM 477 CG ARG A 31 7.159 -6.576 -10.263 1.00 0.22 C ATOM 478 CD ARG A 31 8.045 -7.534 -9.468 1.00 0.24 C ATOM 479 NE ARG A 31 9.363 -7.630 -10.084 1.00 1.07 N ATOM 480 CZ ARG A 31 10.065 -8.757 -10.031 1.00 1.58 C ATOM 481 NH1 ARG A 31 10.110 -9.448 -8.925 1.00 2.07 N ATOM 482 NH2 ARG A 31 10.709 -9.174 -11.086 1.00 2.10 N ATOM 0 H ARG A 31 6.527 -3.851 -10.386 1.00 0.20 H new ATOM 0 HA ARG A 31 4.730 -5.926 -11.044 1.00 0.21 H new ATOM 0 HB2 ARG A 31 6.472 -5.372 -8.605 1.00 0.22 H new ATOM 0 HB3 ARG A 31 5.576 -6.863 -8.821 1.00 0.22 H new ATOM 0 HG2 ARG A 31 6.726 -7.090 -11.121 1.00 0.22 H new ATOM 0 HG3 ARG A 31 7.755 -5.751 -10.654 1.00 0.22 H new ATOM 0 HD2 ARG A 31 8.141 -7.184 -8.440 1.00 0.24 H new ATOM 0 HD3 ARG A 31 7.582 -8.520 -9.427 1.00 0.24 H new ATOM 0 HE ARG A 31 9.753 -6.819 -10.564 1.00 1.07 H new ATOM 0 HH11 ARG A 31 9.606 -9.123 -8.100 1.00 2.07 H new ATOM 0 HH12 ARG A 31 10.649 -10.313 -8.886 1.00 2.07 H new ATOM 0 HH21 ARG A 31 10.674 -8.635 -11.951 1.00 2.10 H new ATOM 0 HH22 ARG A 31 11.248 -10.039 -11.046 1.00 2.10 H new ATOM 496 N VAL A 32 3.918 -3.972 -8.503 1.00 0.21 N ATOM 497 CA VAL A 32 2.815 -3.563 -7.646 1.00 0.22 C ATOM 498 C VAL A 32 1.652 -3.076 -8.503 1.00 0.23 C ATOM 499 O VAL A 32 0.517 -3.529 -8.348 1.00 0.26 O ATOM 500 CB VAL A 32 3.275 -2.442 -6.711 1.00 0.22 C ATOM 501 CG1 VAL A 32 2.079 -1.901 -5.929 1.00 0.25 C ATOM 502 CG2 VAL A 32 4.317 -2.991 -5.734 1.00 0.24 C ATOM 0 H VAL A 32 4.769 -3.420 -8.393 1.00 0.21 H new ATOM 0 HA VAL A 32 2.488 -4.415 -7.049 1.00 0.22 H new ATOM 0 HB VAL A 32 3.714 -1.637 -7.300 1.00 0.22 H new ATOM 0 HG11 VAL A 32 2.410 -1.103 -5.264 1.00 0.25 H new ATOM 0 HG12 VAL A 32 1.337 -1.510 -6.624 1.00 0.25 H new ATOM 0 HG13 VAL A 32 1.636 -2.704 -5.340 1.00 0.25 H new ATOM 0 HG21 VAL A 32 4.646 -2.194 -5.067 1.00 0.24 H new ATOM 0 HG22 VAL A 32 3.876 -3.797 -5.147 1.00 0.24 H new ATOM 0 HG23 VAL A 32 5.172 -3.374 -6.291 1.00 0.24 H new ATOM 512 N LYS A 33 1.950 -2.155 -9.413 1.00 0.23 N ATOM 513 CA LYS A 33 0.938 -1.610 -10.305 1.00 0.26 C ATOM 514 C LYS A 33 0.343 -2.708 -11.182 1.00 0.26 C ATOM 515 O LYS A 33 -0.865 -2.741 -11.421 1.00 0.28 O ATOM 516 CB LYS A 33 1.565 -0.536 -11.193 1.00 0.27 C ATOM 517 CG LYS A 33 1.856 0.713 -10.360 1.00 0.30 C ATOM 518 CD LYS A 33 2.205 1.874 -11.293 1.00 0.34 C ATOM 519 CE LYS A 33 2.808 3.020 -10.480 1.00 0.38 C ATOM 520 NZ LYS A 33 2.016 4.261 -10.709 1.00 1.13 N ATOM 0 H LYS A 33 2.885 -1.771 -9.551 1.00 0.23 H new ATOM 0 HA LYS A 33 0.142 -1.175 -9.701 1.00 0.26 H new ATOM 0 HB2 LYS A 33 2.486 -0.911 -11.639 1.00 0.27 H new ATOM 0 HB3 LYS A 33 0.891 -0.289 -12.014 1.00 0.27 H new ATOM 0 HG2 LYS A 33 0.988 0.969 -9.752 1.00 0.30 H new ATOM 0 HG3 LYS A 33 2.681 0.522 -9.674 1.00 0.30 H new ATOM 0 HD2 LYS A 33 2.912 1.543 -12.054 1.00 0.34 H new ATOM 0 HD3 LYS A 33 1.311 2.216 -11.815 1.00 0.34 H new ATOM 0 HE2 LYS A 33 2.809 2.767 -9.420 1.00 0.38 H new ATOM 0 HE3 LYS A 33 3.846 3.179 -10.771 1.00 0.38 H new ATOM 0 HZ1 LYS A 33 2.425 5.041 -10.156 1.00 1.13 H new ATOM 0 HZ2 LYS A 33 2.037 4.505 -11.720 1.00 1.13 H new ATOM 0 HZ3 LYS A 33 1.032 4.105 -10.411 1.00 1.13 H new ATOM 534 N ASN A 34 1.204 -3.597 -11.668 1.00 0.25 N ATOM 535 CA ASN A 34 0.767 -4.687 -12.529 1.00 0.27 C ATOM 536 C ASN A 34 -0.167 -5.637 -11.785 1.00 0.27 C ATOM 537 O ASN A 34 -1.198 -6.050 -12.316 1.00 0.28 O ATOM 538 CB ASN A 34 1.987 -5.457 -13.031 1.00 0.29 C ATOM 539 CG ASN A 34 2.830 -4.564 -13.936 1.00 0.30 C ATOM 540 OD1 ASN A 34 4.119 -4.486 -13.742 1.00 0.61 O flip ATOM 541 ND2 ASN A 34 2.301 -3.920 -14.842 1.00 0.41 N flip ATOM 0 H ASN A 34 2.206 -3.583 -11.480 1.00 0.25 H new ATOM 0 HA ASN A 34 0.221 -4.263 -13.371 1.00 0.27 H new ATOM 0 HB2 ASN A 34 2.584 -5.800 -12.186 1.00 0.29 H new ATOM 0 HB3 ASN A 34 1.668 -6.345 -13.577 1.00 0.29 H new ATOM 0 HD21 ASN A 34 1.294 -3.983 -14.991 1.00 0.41 H new ATOM 0 HD22 ASN A 34 2.870 -3.324 -15.443 1.00 0.41 H new ATOM 548 N ILE A 35 0.203 -5.984 -10.559 1.00 0.26 N ATOM 549 CA ILE A 35 -0.607 -6.893 -9.755 1.00 0.27 C ATOM 550 C ILE A 35 -1.924 -6.238 -9.357 1.00 0.26 C ATOM 551 O ILE A 35 -2.996 -6.813 -9.547 1.00 0.26 O ATOM 552 CB ILE A 35 0.155 -7.292 -8.496 1.00 0.28 C ATOM 553 CG1 ILE A 35 1.445 -8.016 -8.887 1.00 0.30 C ATOM 554 CG2 ILE A 35 -0.714 -8.220 -7.645 1.00 0.32 C ATOM 555 CD1 ILE A 35 2.307 -8.231 -7.643 1.00 0.33 C ATOM 0 H ILE A 35 1.052 -5.653 -10.101 1.00 0.26 H new ATOM 0 HA ILE A 35 -0.820 -7.778 -10.354 1.00 0.27 H new ATOM 0 HB ILE A 35 0.400 -6.398 -7.922 1.00 0.28 H new ATOM 0 HG12 ILE A 35 1.210 -8.975 -9.350 1.00 0.30 H new ATOM 0 HG13 ILE A 35 1.993 -7.431 -9.626 1.00 0.30 H new ATOM 0 HG21 ILE A 35 -0.169 -8.505 -6.745 1.00 0.32 H new ATOM 0 HG22 ILE A 35 -1.632 -7.703 -7.365 1.00 0.32 H new ATOM 0 HG23 ILE A 35 -0.961 -9.114 -8.218 1.00 0.32 H new ATOM 0 HD11 ILE A 35 3.226 -8.747 -7.922 1.00 0.33 H new ATOM 0 HD12 ILE A 35 2.553 -7.266 -7.199 1.00 0.33 H new ATOM 0 HD13 ILE A 35 1.758 -8.834 -6.920 1.00 0.33 H new ATOM 567 N LEU A 36 -1.838 -5.033 -8.802 1.00 0.26 N ATOM 568 CA LEU A 36 -3.036 -4.317 -8.383 1.00 0.27 C ATOM 569 C LEU A 36 -3.973 -4.133 -9.567 1.00 0.28 C ATOM 570 O LEU A 36 -5.175 -4.382 -9.468 1.00 0.30 O ATOM 571 CB LEU A 36 -2.657 -2.949 -7.812 1.00 0.30 C ATOM 572 CG LEU A 36 -1.853 -3.136 -6.525 1.00 0.30 C ATOM 573 CD1 LEU A 36 -1.507 -1.768 -5.937 1.00 0.41 C ATOM 574 CD2 LEU A 36 -2.686 -3.928 -5.515 1.00 0.35 C ATOM 0 H LEU A 36 -0.962 -4.537 -8.634 1.00 0.26 H new ATOM 0 HA LEU A 36 -3.541 -4.900 -7.612 1.00 0.27 H new ATOM 0 HB2 LEU A 36 -2.071 -2.389 -8.541 1.00 0.30 H new ATOM 0 HB3 LEU A 36 -3.556 -2.366 -7.610 1.00 0.30 H new ATOM 0 HG LEU A 36 -0.935 -3.680 -6.746 1.00 0.30 H new ATOM 0 HD11 LEU A 36 -0.934 -1.901 -5.019 1.00 0.41 H new ATOM 0 HD12 LEU A 36 -0.915 -1.202 -6.656 1.00 0.41 H new ATOM 0 HD13 LEU A 36 -2.425 -1.224 -5.716 1.00 0.41 H new ATOM 0 HD21 LEU A 36 -2.114 -4.062 -4.597 1.00 0.35 H new ATOM 0 HD22 LEU A 36 -3.604 -3.384 -5.294 1.00 0.35 H new ATOM 0 HD23 LEU A 36 -2.934 -4.903 -5.933 1.00 0.35 H new ATOM 586 N ALA A 37 -3.411 -3.711 -10.693 1.00 0.30 N ATOM 587 CA ALA A 37 -4.201 -3.513 -11.897 1.00 0.35 C ATOM 588 C ALA A 37 -4.692 -4.856 -12.414 1.00 0.36 C ATOM 589 O ALA A 37 -5.507 -4.919 -13.335 1.00 0.43 O ATOM 590 CB ALA A 37 -3.358 -2.826 -12.972 1.00 0.40 C ATOM 0 H ALA A 37 -2.418 -3.501 -10.796 1.00 0.30 H new ATOM 0 HA ALA A 37 -5.057 -2.881 -11.659 1.00 0.35 H new ATOM 0 HB1 ALA A 37 -3.960 -2.683 -13.870 1.00 0.40 H new ATOM 0 HB2 ALA A 37 -3.018 -1.858 -12.604 1.00 0.40 H new ATOM 0 HB3 ALA A 37 -2.494 -3.447 -13.209 1.00 0.40 H new ATOM 596 N ALA A 38 -4.185 -5.931 -11.818 1.00 0.32 N ATOM 597 CA ALA A 38 -4.578 -7.268 -12.236 1.00 0.36 C ATOM 598 C ALA A 38 -5.852 -7.707 -11.519 1.00 0.36 C ATOM 599 O ALA A 38 -6.564 -8.593 -11.990 1.00 0.56 O ATOM 600 CB ALA A 38 -3.454 -8.261 -11.934 1.00 0.39 C ATOM 0 H ALA A 38 -3.510 -5.902 -11.054 1.00 0.32 H new ATOM 0 HA ALA A 38 -4.769 -7.248 -13.309 1.00 0.36 H new ATOM 0 HB1 ALA A 38 -3.756 -9.260 -12.250 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -2.554 -7.967 -12.473 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -3.250 -8.265 -10.863 1.00 0.39 H new ATOM 606 N VAL A 39 -6.134 -7.081 -10.380 1.00 0.44 N ATOM 607 CA VAL A 39 -7.327 -7.422 -9.612 1.00 0.51 C ATOM 608 C VAL A 39 -8.485 -6.490 -9.958 1.00 0.47 C ATOM 609 O VAL A 39 -9.637 -6.771 -9.629 1.00 0.60 O ATOM 610 CB VAL A 39 -7.029 -7.324 -8.116 1.00 0.59 C ATOM 611 CG1 VAL A 39 -6.792 -5.861 -7.736 1.00 0.60 C ATOM 612 CG2 VAL A 39 -8.221 -7.869 -7.327 1.00 0.76 C ATOM 0 H VAL A 39 -5.560 -6.343 -9.972 1.00 0.44 H new ATOM 0 HA VAL A 39 -7.612 -8.443 -9.866 1.00 0.51 H new ATOM 0 HB VAL A 39 -6.138 -7.907 -7.883 1.00 0.59 H new ATOM 0 HG11 VAL A 39 -6.580 -5.792 -6.669 1.00 0.60 H new ATOM 0 HG12 VAL A 39 -5.945 -5.471 -8.301 1.00 0.60 H new ATOM 0 HG13 VAL A 39 -7.682 -5.276 -7.967 1.00 0.60 H new ATOM 0 HG21 VAL A 39 -8.012 -7.801 -6.259 1.00 0.76 H new ATOM 0 HG22 VAL A 39 -9.110 -7.284 -7.561 1.00 0.76 H new ATOM 0 HG23 VAL A 39 -8.391 -8.911 -7.598 1.00 0.76 H new ATOM 622 N GLU A 40 -8.175 -5.383 -10.622 1.00 0.64 N ATOM 623 CA GLU A 40 -9.204 -4.421 -11.000 1.00 0.94 C ATOM 624 C GLU A 40 -10.290 -4.355 -9.930 1.00 0.73 C ATOM 625 O GLU A 40 -10.075 -3.812 -8.846 1.00 0.83 O ATOM 626 CB GLU A 40 -9.825 -4.818 -12.340 1.00 1.31 C ATOM 627 CG GLU A 40 -8.873 -4.437 -13.475 1.00 1.94 C ATOM 628 CD GLU A 40 -9.610 -4.476 -14.809 1.00 2.23 C ATOM 629 OE1 GLU A 40 -10.822 -4.340 -14.798 1.00 2.58 O ATOM 630 OE2 GLU A 40 -8.952 -4.642 -15.822 1.00 2.70 O ATOM 0 H GLU A 40 -7.229 -5.130 -10.908 1.00 0.64 H new ATOM 0 HA GLU A 40 -8.742 -3.438 -11.094 1.00 0.94 H new ATOM 0 HB2 GLU A 40 -10.020 -5.890 -12.359 1.00 1.31 H new ATOM 0 HB3 GLU A 40 -10.784 -4.317 -12.471 1.00 1.31 H new ATOM 0 HG2 GLU A 40 -8.469 -3.439 -13.302 1.00 1.94 H new ATOM 0 HG3 GLU A 40 -8.027 -5.124 -13.497 1.00 1.94 H new ATOM 637 N ALA A 41 -11.456 -4.916 -10.240 1.00 0.66 N ATOM 638 CA ALA A 41 -12.568 -4.919 -9.295 1.00 0.53 C ATOM 639 C ALA A 41 -13.331 -3.600 -9.357 1.00 0.55 C ATOM 640 O ALA A 41 -12.884 -2.641 -9.985 1.00 0.87 O ATOM 641 CB ALA A 41 -12.044 -5.142 -7.875 1.00 0.46 C ATOM 0 H ALA A 41 -11.654 -5.371 -11.131 1.00 0.66 H new ATOM 0 HA ALA A 41 -13.246 -5.729 -9.564 1.00 0.53 H new ATOM 0 HB1 ALA A 41 -12.879 -5.143 -7.175 1.00 0.46 H new ATOM 0 HB2 ALA A 41 -11.527 -6.100 -7.824 1.00 0.46 H new ATOM 0 HB3 ALA A 41 -11.352 -4.342 -7.613 1.00 0.46 H new ATOM 647 N THR A 42 -14.487 -3.559 -8.699 1.00 0.50 N ATOM 648 CA THR A 42 -15.304 -2.351 -8.685 1.00 0.56 C ATOM 649 C THR A 42 -14.712 -1.319 -7.732 1.00 0.54 C ATOM 650 O THR A 42 -15.239 -0.216 -7.588 1.00 0.64 O ATOM 651 CB THR A 42 -16.731 -2.690 -8.249 1.00 0.62 C ATOM 652 OG1 THR A 42 -16.707 -3.229 -6.934 1.00 0.58 O ATOM 653 CG2 THR A 42 -17.331 -3.715 -9.211 1.00 0.69 C ATOM 0 H THR A 42 -14.876 -4.342 -8.173 1.00 0.50 H new ATOM 0 HA THR A 42 -15.322 -1.934 -9.692 1.00 0.56 H new ATOM 0 HB THR A 42 -17.339 -1.786 -8.261 1.00 0.62 H new ATOM 0 HG1 THR A 42 -17.620 -3.445 -6.652 1.00 0.58 H new ATOM 0 HG21 THR A 42 -18.347 -3.955 -8.899 1.00 0.69 H new ATOM 0 HG22 THR A 42 -17.349 -3.301 -10.219 1.00 0.69 H new ATOM 0 HG23 THR A 42 -16.725 -4.621 -9.202 1.00 0.69 H new ATOM 661 N VAL A 43 -13.614 -1.687 -7.081 1.00 0.44 N ATOM 662 CA VAL A 43 -12.956 -0.797 -6.144 1.00 0.44 C ATOM 663 C VAL A 43 -11.475 -0.663 -6.485 1.00 0.38 C ATOM 664 O VAL A 43 -10.632 -1.363 -5.924 1.00 0.41 O ATOM 665 CB VAL A 43 -13.106 -1.348 -4.730 1.00 0.47 C ATOM 666 CG1 VAL A 43 -14.485 -0.984 -4.179 1.00 0.58 C ATOM 667 CG2 VAL A 43 -12.959 -2.871 -4.762 1.00 0.45 C ATOM 0 H VAL A 43 -13.164 -2.596 -7.188 1.00 0.44 H new ATOM 0 HA VAL A 43 -13.420 0.187 -6.208 1.00 0.44 H new ATOM 0 HB VAL A 43 -12.336 -0.917 -4.090 1.00 0.47 H new ATOM 0 HG11 VAL A 43 -14.589 -1.379 -3.169 1.00 0.58 H new ATOM 0 HG12 VAL A 43 -14.594 0.100 -4.158 1.00 0.58 H new ATOM 0 HG13 VAL A 43 -15.257 -1.413 -4.818 1.00 0.58 H new ATOM 0 HG21 VAL A 43 -13.066 -3.268 -3.753 1.00 0.45 H new ATOM 0 HG22 VAL A 43 -13.730 -3.298 -5.403 1.00 0.45 H new ATOM 0 HG23 VAL A 43 -11.976 -3.134 -5.153 1.00 0.45 H new ATOM 677 N PRO A 44 -11.153 0.219 -7.391 1.00 0.37 N ATOM 678 CA PRO A 44 -9.747 0.448 -7.815 1.00 0.37 C ATOM 679 C PRO A 44 -8.890 0.994 -6.677 1.00 0.31 C ATOM 680 O PRO A 44 -9.379 1.720 -5.811 1.00 0.31 O ATOM 681 CB PRO A 44 -9.832 1.460 -8.964 1.00 0.49 C ATOM 682 CG PRO A 44 -11.280 1.784 -9.177 1.00 0.55 C ATOM 683 CD PRO A 44 -12.104 1.083 -8.095 1.00 0.44 C ATOM 0 HA PRO A 44 -9.272 -0.485 -8.119 1.00 0.37 H new ATOM 0 HB2 PRO A 44 -9.269 2.362 -8.722 1.00 0.49 H new ATOM 0 HB3 PRO A 44 -9.395 1.045 -9.872 1.00 0.49 H new ATOM 0 HG2 PRO A 44 -11.437 2.862 -9.132 1.00 0.55 H new ATOM 0 HG3 PRO A 44 -11.599 1.456 -10.166 1.00 0.55 H new ATOM 0 HD2 PRO A 44 -12.558 1.805 -7.416 1.00 0.44 H new ATOM 0 HD3 PRO A 44 -12.916 0.502 -8.532 1.00 0.44 H new ATOM 691 N ILE A 45 -7.610 0.636 -6.683 1.00 0.28 N ATOM 692 CA ILE A 45 -6.693 1.092 -5.644 1.00 0.24 C ATOM 693 C ILE A 45 -5.887 2.294 -6.125 1.00 0.26 C ATOM 694 O ILE A 45 -5.567 2.408 -7.308 1.00 0.30 O ATOM 695 CB ILE A 45 -5.736 -0.038 -5.259 1.00 0.23 C ATOM 696 CG1 ILE A 45 -6.543 -1.274 -4.855 1.00 0.26 C ATOM 697 CG2 ILE A 45 -4.861 0.407 -4.084 1.00 0.23 C ATOM 698 CD1 ILE A 45 -6.643 -2.231 -6.044 1.00 0.37 C ATOM 0 H ILE A 45 -7.186 0.036 -7.390 1.00 0.28 H new ATOM 0 HA ILE A 45 -7.281 1.386 -4.775 1.00 0.24 H new ATOM 0 HB ILE A 45 -5.101 -0.280 -6.111 1.00 0.23 H new ATOM 0 HG12 ILE A 45 -6.065 -1.773 -4.012 1.00 0.26 H new ATOM 0 HG13 ILE A 45 -7.540 -0.979 -4.527 1.00 0.26 H new ATOM 0 HG21 ILE A 45 -4.180 -0.399 -3.811 1.00 0.23 H new ATOM 0 HG22 ILE A 45 -4.285 1.286 -4.372 1.00 0.23 H new ATOM 0 HG23 ILE A 45 -5.494 0.651 -3.231 1.00 0.23 H new ATOM 0 HD11 ILE A 45 -7.218 -3.111 -5.755 1.00 0.37 H new ATOM 0 HD12 ILE A 45 -7.140 -1.729 -6.874 1.00 0.37 H new ATOM 0 HD13 ILE A 45 -5.642 -2.536 -6.351 1.00 0.37 H new ATOM 710 N SER A 46 -5.555 3.182 -5.195 1.00 0.27 N ATOM 711 CA SER A 46 -4.774 4.366 -5.527 1.00 0.31 C ATOM 712 C SER A 46 -3.331 4.182 -5.073 1.00 0.29 C ATOM 713 O SER A 46 -3.049 4.125 -3.876 1.00 0.31 O ATOM 714 CB SER A 46 -5.375 5.600 -4.851 1.00 0.37 C ATOM 715 OG SER A 46 -4.599 6.743 -5.187 1.00 0.46 O ATOM 0 H SER A 46 -5.813 3.105 -4.211 1.00 0.27 H new ATOM 0 HA SER A 46 -4.794 4.508 -6.608 1.00 0.31 H new ATOM 0 HB2 SER A 46 -6.407 5.739 -5.173 1.00 0.37 H new ATOM 0 HB3 SER A 46 -5.394 5.464 -3.770 1.00 0.37 H new ATOM 0 HG SER A 46 -4.982 7.536 -4.757 1.00 0.46 H new ATOM 721 N LEU A 47 -2.421 4.078 -6.035 1.00 0.30 N ATOM 722 CA LEU A 47 -1.011 3.886 -5.717 1.00 0.29 C ATOM 723 C LEU A 47 -0.275 5.220 -5.702 1.00 0.30 C ATOM 724 O LEU A 47 -0.210 5.918 -6.713 1.00 0.36 O ATOM 725 CB LEU A 47 -0.367 2.959 -6.749 1.00 0.33 C ATOM 726 CG LEU A 47 0.777 2.181 -6.097 1.00 0.33 C ATOM 727 CD1 LEU A 47 1.786 1.763 -7.169 1.00 0.44 C ATOM 728 CD2 LEU A 47 1.474 3.067 -5.062 1.00 0.31 C ATOM 0 H LEU A 47 -2.631 4.123 -7.032 1.00 0.30 H new ATOM 0 HA LEU A 47 -0.940 3.436 -4.727 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -1.111 2.268 -7.146 1.00 0.33 H new ATOM 0 HB3 LEU A 47 0.009 3.541 -7.591 1.00 0.33 H new ATOM 0 HG LEU A 47 0.377 1.294 -5.606 1.00 0.33 H new ATOM 0 HD11 LEU A 47 2.601 1.209 -6.705 1.00 0.44 H new ATOM 0 HD12 LEU A 47 1.292 1.131 -7.907 1.00 0.44 H new ATOM 0 HD13 LEU A 47 2.184 2.651 -7.660 1.00 0.44 H new ATOM 0 HD21 LEU A 47 2.289 2.512 -4.598 1.00 0.31 H new ATOM 0 HD22 LEU A 47 1.873 3.955 -5.553 1.00 0.31 H new ATOM 0 HD23 LEU A 47 0.757 3.366 -4.297 1.00 0.31 H new ATOM 740 N GLN A 48 0.281 5.563 -4.547 1.00 0.27 N ATOM 741 CA GLN A 48 1.015 6.809 -4.401 1.00 0.30 C ATOM 742 C GLN A 48 2.398 6.533 -3.823 1.00 0.28 C ATOM 743 O GLN A 48 2.529 5.866 -2.797 1.00 0.33 O ATOM 744 CB GLN A 48 0.249 7.756 -3.479 1.00 0.35 C ATOM 745 CG GLN A 48 -0.598 8.711 -4.321 1.00 0.57 C ATOM 746 CD GLN A 48 -1.049 9.895 -3.474 1.00 1.31 C ATOM 747 OE1 GLN A 48 -1.223 9.762 -2.262 1.00 2.11 O ATOM 748 NE2 GLN A 48 -1.249 11.053 -4.044 1.00 2.05 N ATOM 0 H GLN A 48 0.237 4.996 -3.700 1.00 0.27 H new ATOM 0 HA GLN A 48 1.125 7.274 -5.381 1.00 0.30 H new ATOM 0 HB2 GLN A 48 -0.389 7.186 -2.803 1.00 0.35 H new ATOM 0 HB3 GLN A 48 0.946 8.321 -2.859 1.00 0.35 H new ATOM 0 HG2 GLN A 48 -0.021 9.064 -5.176 1.00 0.57 H new ATOM 0 HG3 GLN A 48 -1.467 8.186 -4.718 1.00 0.57 H new ATOM 0 HE21 GLN A 48 -1.104 11.159 -5.048 1.00 2.05 H new ATOM 0 HE22 GLN A 48 -1.550 11.851 -3.485 1.00 2.05 H new ATOM 757 N VAL A 49 3.429 7.037 -4.493 1.00 0.24 N ATOM 758 CA VAL A 49 4.796 6.821 -4.035 1.00 0.21 C ATOM 759 C VAL A 49 5.266 7.961 -3.146 1.00 0.21 C ATOM 760 O VAL A 49 4.980 9.130 -3.406 1.00 0.25 O ATOM 761 CB VAL A 49 5.744 6.698 -5.227 1.00 0.23 C ATOM 762 CG1 VAL A 49 7.121 6.246 -4.735 1.00 0.22 C ATOM 763 CG2 VAL A 49 5.190 5.671 -6.217 1.00 0.30 C ATOM 0 H VAL A 49 3.346 7.591 -5.345 1.00 0.24 H new ATOM 0 HA VAL A 49 4.805 5.896 -3.459 1.00 0.21 H new ATOM 0 HB VAL A 49 5.834 7.664 -5.723 1.00 0.23 H new ATOM 0 HG11 VAL A 49 7.799 6.157 -5.583 1.00 0.22 H new ATOM 0 HG12 VAL A 49 7.514 6.979 -4.031 1.00 0.22 H new ATOM 0 HG13 VAL A 49 7.031 5.279 -4.240 1.00 0.22 H new ATOM 0 HG21 VAL A 49 5.866 5.584 -7.067 1.00 0.30 H new ATOM 0 HG22 VAL A 49 5.099 4.703 -5.724 1.00 0.30 H new ATOM 0 HG23 VAL A 49 4.209 5.994 -6.566 1.00 0.30 H new ATOM 773 N ILE A 50 6.007 7.607 -2.106 1.00 0.21 N ATOM 774 CA ILE A 50 6.542 8.595 -1.186 1.00 0.24 C ATOM 775 C ILE A 50 8.062 8.524 -1.202 1.00 0.21 C ATOM 776 O ILE A 50 8.645 7.471 -0.944 1.00 0.21 O ATOM 777 CB ILE A 50 6.022 8.333 0.227 1.00 0.33 C ATOM 778 CG1 ILE A 50 4.497 8.207 0.187 1.00 0.36 C ATOM 779 CG2 ILE A 50 6.414 9.495 1.142 1.00 0.40 C ATOM 780 CD1 ILE A 50 3.936 8.307 1.606 1.00 0.48 C ATOM 0 H ILE A 50 6.250 6.643 -1.880 1.00 0.21 H new ATOM 0 HA ILE A 50 6.221 9.589 -1.496 1.00 0.24 H new ATOM 0 HB ILE A 50 6.457 7.410 0.611 1.00 0.33 H new ATOM 0 HG12 ILE A 50 4.073 8.993 -0.438 1.00 0.36 H new ATOM 0 HG13 ILE A 50 4.212 7.255 -0.261 1.00 0.36 H new ATOM 0 HG21 ILE A 50 6.042 9.306 2.149 1.00 0.40 H new ATOM 0 HG22 ILE A 50 7.500 9.588 1.167 1.00 0.40 H new ATOM 0 HG23 ILE A 50 5.980 10.420 0.762 1.00 0.40 H new ATOM 0 HD11 ILE A 50 2.850 8.217 1.575 1.00 0.48 H new ATOM 0 HD12 ILE A 50 4.349 7.505 2.218 1.00 0.48 H new ATOM 0 HD13 ILE A 50 4.208 9.270 2.038 1.00 0.48 H new ATOM 792 N ASN A 51 8.701 9.641 -1.520 1.00 0.21 N ATOM 793 CA ASN A 51 10.154 9.676 -1.582 1.00 0.21 C ATOM 794 C ASN A 51 10.741 9.808 -0.181 1.00 0.22 C ATOM 795 O ASN A 51 10.718 10.885 0.414 1.00 0.28 O ATOM 796 CB ASN A 51 10.609 10.853 -2.444 1.00 0.26 C ATOM 797 CG ASN A 51 10.572 10.465 -3.918 1.00 0.95 C ATOM 798 OD1 ASN A 51 11.685 10.423 -4.599 1.00 1.92 O flip ATOM 799 ND2 ASN A 51 9.502 10.191 -4.462 1.00 1.42 N flip ATOM 0 H ASN A 51 8.242 10.526 -1.737 1.00 0.21 H new ATOM 0 HA ASN A 51 10.507 8.745 -2.026 1.00 0.21 H new ATOM 0 HB2 ASN A 51 9.963 11.713 -2.270 1.00 0.26 H new ATOM 0 HB3 ASN A 51 11.619 11.151 -2.163 1.00 0.26 H new ATOM 0 HD21 ASN A 51 8.634 10.225 -3.927 1.00 1.42 H new ATOM 0 HD22 ASN A 51 9.483 9.930 -5.448 1.00 1.42 H new ATOM 806 N VAL A 52 11.262 8.702 0.342 1.00 0.20 N ATOM 807 CA VAL A 52 11.848 8.702 1.678 1.00 0.24 C ATOM 808 C VAL A 52 12.933 9.768 1.796 1.00 0.31 C ATOM 809 O VAL A 52 13.176 10.301 2.878 1.00 0.38 O ATOM 810 CB VAL A 52 12.444 7.327 1.984 1.00 0.27 C ATOM 811 CG1 VAL A 52 11.357 6.259 1.858 1.00 0.31 C ATOM 812 CG2 VAL A 52 13.570 7.027 0.992 1.00 0.32 C ATOM 0 H VAL A 52 11.290 7.801 -0.135 1.00 0.20 H new ATOM 0 HA VAL A 52 11.060 8.928 2.397 1.00 0.24 H new ATOM 0 HB VAL A 52 12.842 7.322 2.999 1.00 0.27 H new ATOM 0 HG11 VAL A 52 11.782 5.279 2.076 1.00 0.31 H new ATOM 0 HG12 VAL A 52 10.554 6.472 2.564 1.00 0.31 H new ATOM 0 HG13 VAL A 52 10.958 6.264 0.844 1.00 0.31 H new ATOM 0 HG21 VAL A 52 13.995 6.047 1.210 1.00 0.32 H new ATOM 0 HG22 VAL A 52 13.172 7.033 -0.023 1.00 0.32 H new ATOM 0 HG23 VAL A 52 14.346 7.787 1.082 1.00 0.32 H new ATOM 822 N ALA A 53 13.581 10.074 0.678 1.00 0.36 N ATOM 823 CA ALA A 53 14.636 11.078 0.672 1.00 0.47 C ATOM 824 C ALA A 53 14.037 12.475 0.758 1.00 0.51 C ATOM 825 O ALA A 53 14.746 13.451 1.004 1.00 0.62 O ATOM 826 CB ALA A 53 15.469 10.955 -0.605 1.00 0.54 C ATOM 0 H ALA A 53 13.396 9.645 -0.229 1.00 0.36 H new ATOM 0 HA ALA A 53 15.277 10.913 1.538 1.00 0.47 H new ATOM 0 HB1 ALA A 53 16.255 11.710 -0.601 1.00 0.54 H new ATOM 0 HB2 ALA A 53 15.918 9.963 -0.652 1.00 0.54 H new ATOM 0 HB3 ALA A 53 14.828 11.104 -1.474 1.00 0.54 H new ATOM 832 N ASP A 54 12.729 12.564 0.547 1.00 0.50 N ATOM 833 CA ASP A 54 12.050 13.849 0.597 1.00 0.60 C ATOM 834 C ASP A 54 11.364 14.054 1.945 1.00 0.55 C ATOM 835 O ASP A 54 11.221 15.185 2.411 1.00 0.61 O ATOM 836 CB ASP A 54 11.014 13.939 -0.524 1.00 0.72 C ATOM 837 CG ASP A 54 11.716 14.056 -1.872 1.00 0.82 C ATOM 838 OD1 ASP A 54 12.547 14.939 -2.011 1.00 1.39 O ATOM 839 OD2 ASP A 54 11.414 13.260 -2.746 1.00 1.36 O ATOM 0 H ASP A 54 12.124 11.769 0.342 1.00 0.50 H new ATOM 0 HA ASP A 54 12.798 14.631 0.466 1.00 0.60 H new ATOM 0 HB2 ASP A 54 10.375 13.056 -0.512 1.00 0.72 H new ATOM 0 HB3 ASP A 54 10.367 14.802 -0.365 1.00 0.72 H new ATOM 844 N GLN A 55 10.935 12.959 2.565 1.00 0.50 N ATOM 845 CA GLN A 55 10.259 13.047 3.854 1.00 0.48 C ATOM 846 C GLN A 55 10.513 11.799 4.694 1.00 0.41 C ATOM 847 O GLN A 55 9.641 10.942 4.838 1.00 0.47 O ATOM 848 CB GLN A 55 8.755 13.224 3.641 1.00 0.60 C ATOM 849 CG GLN A 55 8.167 11.940 3.055 1.00 0.74 C ATOM 850 CD GLN A 55 7.473 12.244 1.732 1.00 1.07 C ATOM 851 OE1 GLN A 55 6.356 12.761 1.720 1.00 1.79 O ATOM 852 NE2 GLN A 55 8.074 11.952 0.610 1.00 1.70 N ATOM 0 H GLN A 55 11.042 12.012 2.201 1.00 0.50 H new ATOM 0 HA GLN A 55 10.658 13.909 4.388 1.00 0.48 H new ATOM 0 HB2 GLN A 55 8.268 13.460 4.587 1.00 0.60 H new ATOM 0 HB3 GLN A 55 8.568 14.062 2.969 1.00 0.60 H new ATOM 0 HG2 GLN A 55 8.957 11.205 2.901 1.00 0.74 H new ATOM 0 HG3 GLN A 55 7.457 11.502 3.756 1.00 0.74 H new ATOM 0 HE21 GLN A 55 9.000 11.524 0.624 1.00 1.70 H new ATOM 0 HE22 GLN A 55 7.618 12.152 -0.280 1.00 1.70 H new ATOM 861 N PRO A 56 11.687 11.695 5.252 1.00 0.33 N ATOM 862 CA PRO A 56 12.085 10.547 6.111 1.00 0.32 C ATOM 863 C PRO A 56 11.439 10.616 7.489 1.00 0.35 C ATOM 864 O PRO A 56 11.614 9.723 8.320 1.00 0.37 O ATOM 865 CB PRO A 56 13.609 10.667 6.232 1.00 0.35 C ATOM 866 CG PRO A 56 14.023 11.865 5.431 1.00 0.36 C ATOM 867 CD PRO A 56 12.765 12.675 5.129 1.00 0.33 C ATOM 0 HA PRO A 56 11.765 9.598 5.680 1.00 0.32 H new ATOM 0 HB2 PRO A 56 13.905 10.780 7.275 1.00 0.35 H new ATOM 0 HB3 PRO A 56 14.097 9.767 5.858 1.00 0.35 H new ATOM 0 HG2 PRO A 56 14.742 12.467 5.986 1.00 0.36 H new ATOM 0 HG3 PRO A 56 14.512 11.557 4.506 1.00 0.36 H new ATOM 0 HD2 PRO A 56 12.640 13.499 5.832 1.00 0.33 H new ATOM 0 HD3 PRO A 56 12.799 13.111 4.130 1.00 0.33 H new ATOM 875 N GLN A 57 10.709 11.695 7.727 1.00 0.37 N ATOM 876 CA GLN A 57 10.054 11.900 9.013 1.00 0.43 C ATOM 877 C GLN A 57 8.859 10.965 9.177 1.00 0.42 C ATOM 878 O GLN A 57 8.688 10.356 10.234 1.00 0.43 O ATOM 879 CB GLN A 57 9.587 13.352 9.128 1.00 0.50 C ATOM 880 CG GLN A 57 8.785 13.534 10.417 1.00 0.51 C ATOM 881 CD GLN A 57 8.333 14.985 10.546 1.00 0.60 C ATOM 882 OE1 GLN A 57 8.876 15.866 9.878 1.00 1.28 O ATOM 883 NE2 GLN A 57 7.365 15.287 11.368 1.00 1.16 N ATOM 0 H GLN A 57 10.555 12.441 7.049 1.00 0.37 H new ATOM 0 HA GLN A 57 10.774 11.679 9.801 1.00 0.43 H new ATOM 0 HB2 GLN A 57 10.447 14.022 9.125 1.00 0.50 H new ATOM 0 HB3 GLN A 57 8.974 13.616 8.266 1.00 0.50 H new ATOM 0 HG2 GLN A 57 7.918 12.873 10.413 1.00 0.51 H new ATOM 0 HG3 GLN A 57 9.394 13.256 11.277 1.00 0.51 H new ATOM 0 HE21 GLN A 57 6.917 14.555 11.920 1.00 1.16 H new ATOM 0 HE22 GLN A 57 7.056 16.255 11.459 1.00 1.16 H new ATOM 892 N LEU A 58 8.039 10.837 8.138 1.00 0.41 N ATOM 893 CA LEU A 58 6.887 9.956 8.215 1.00 0.41 C ATOM 894 C LEU A 58 7.342 8.504 8.129 1.00 0.36 C ATOM 895 O LEU A 58 6.661 7.598 8.610 1.00 0.39 O ATOM 896 CB LEU A 58 5.908 10.270 7.085 1.00 0.45 C ATOM 897 CG LEU A 58 6.605 10.097 5.740 1.00 0.72 C ATOM 898 CD1 LEU A 58 7.142 8.671 5.627 1.00 1.39 C ATOM 899 CD2 LEU A 58 5.604 10.359 4.613 1.00 0.82 C ATOM 0 H LEU A 58 8.150 11.324 7.249 1.00 0.41 H new ATOM 0 HA LEU A 58 6.381 10.114 9.168 1.00 0.41 H new ATOM 0 HB2 LEU A 58 5.043 9.609 7.145 1.00 0.45 H new ATOM 0 HB3 LEU A 58 5.537 11.290 7.185 1.00 0.45 H new ATOM 0 HG LEU A 58 7.432 10.803 5.662 1.00 0.72 H new ATOM 0 HD11 LEU A 58 7.641 8.545 4.666 1.00 1.39 H new ATOM 0 HD12 LEU A 58 7.853 8.485 6.432 1.00 1.39 H new ATOM 0 HD13 LEU A 58 6.316 7.964 5.702 1.00 1.39 H new ATOM 0 HD21 LEU A 58 6.100 10.236 3.650 1.00 0.82 H new ATOM 0 HD22 LEU A 58 4.778 9.652 4.689 1.00 0.82 H new ATOM 0 HD23 LEU A 58 5.220 11.376 4.696 1.00 0.82 H new ATOM 911 N VAL A 59 8.514 8.294 7.529 1.00 0.31 N ATOM 912 CA VAL A 59 9.068 6.951 7.404 1.00 0.28 C ATOM 913 C VAL A 59 9.393 6.410 8.788 1.00 0.30 C ATOM 914 O VAL A 59 9.090 5.259 9.105 1.00 0.34 O ATOM 915 CB VAL A 59 10.337 6.978 6.550 1.00 0.27 C ATOM 916 CG1 VAL A 59 10.934 5.571 6.481 1.00 0.40 C ATOM 917 CG2 VAL A 59 9.990 7.451 5.137 1.00 0.35 C ATOM 0 H VAL A 59 9.092 9.032 7.126 1.00 0.31 H new ATOM 0 HA VAL A 59 8.334 6.306 6.920 1.00 0.28 H new ATOM 0 HB VAL A 59 11.061 7.660 6.996 1.00 0.27 H new ATOM 0 HG11 VAL A 59 11.838 5.589 5.873 1.00 0.40 H new ATOM 0 HG12 VAL A 59 11.180 5.230 7.487 1.00 0.40 H new ATOM 0 HG13 VAL A 59 10.210 4.890 6.034 1.00 0.40 H new ATOM 0 HG21 VAL A 59 10.894 7.471 4.528 1.00 0.35 H new ATOM 0 HG22 VAL A 59 9.267 6.768 4.692 1.00 0.35 H new ATOM 0 HG23 VAL A 59 9.562 8.452 5.183 1.00 0.35 H new ATOM 927 N GLU A 60 9.992 7.260 9.617 1.00 0.31 N ATOM 928 CA GLU A 60 10.331 6.867 10.976 1.00 0.38 C ATOM 929 C GLU A 60 9.051 6.702 11.785 1.00 0.44 C ATOM 930 O GLU A 60 8.959 5.836 12.654 1.00 0.51 O ATOM 931 CB GLU A 60 11.224 7.927 11.627 1.00 0.39 C ATOM 932 CG GLU A 60 12.603 7.909 10.964 1.00 0.39 C ATOM 933 CD GLU A 60 13.539 8.880 11.675 1.00 0.49 C ATOM 934 OE1 GLU A 60 13.303 10.074 11.585 1.00 1.33 O ATOM 935 OE2 GLU A 60 14.479 8.417 12.299 1.00 1.09 O ATOM 0 H GLU A 60 10.250 8.216 9.372 1.00 0.31 H new ATOM 0 HA GLU A 60 10.873 5.922 10.952 1.00 0.38 H new ATOM 0 HB2 GLU A 60 10.771 8.913 11.523 1.00 0.39 H new ATOM 0 HB3 GLU A 60 11.320 7.731 12.695 1.00 0.39 H new ATOM 0 HG2 GLU A 60 13.018 6.902 10.997 1.00 0.39 H new ATOM 0 HG3 GLU A 60 12.513 8.182 9.913 1.00 0.39 H new ATOM 942 N TYR A 61 8.057 7.532 11.474 1.00 0.45 N ATOM 943 CA TYR A 61 6.775 7.459 12.161 1.00 0.55 C ATOM 944 C TYR A 61 6.220 6.047 12.047 1.00 0.60 C ATOM 945 O TYR A 61 5.769 5.460 13.030 1.00 0.71 O ATOM 946 CB TYR A 61 5.790 8.454 11.542 1.00 0.57 C ATOM 947 CG TYR A 61 4.478 8.400 12.287 1.00 0.71 C ATOM 948 CD1 TYR A 61 4.339 9.068 13.509 1.00 0.73 C ATOM 949 CD2 TYR A 61 3.399 7.684 11.754 1.00 0.86 C ATOM 950 CE1 TYR A 61 3.122 9.019 14.199 1.00 0.88 C ATOM 951 CE2 TYR A 61 2.182 7.635 12.445 1.00 1.01 C ATOM 952 CZ TYR A 61 2.044 8.303 13.667 1.00 1.00 C ATOM 953 OH TYR A 61 0.844 8.255 14.347 1.00 1.16 O ATOM 0 H TYR A 61 8.116 8.255 10.757 1.00 0.45 H new ATOM 0 HA TYR A 61 6.916 7.711 13.212 1.00 0.55 H new ATOM 0 HB2 TYR A 61 6.202 9.462 11.584 1.00 0.57 H new ATOM 0 HB3 TYR A 61 5.632 8.218 10.490 1.00 0.57 H new ATOM 0 HD1 TYR A 61 5.171 9.621 13.920 1.00 0.73 H new ATOM 0 HD2 TYR A 61 3.505 7.170 10.810 1.00 0.86 H new ATOM 0 HE1 TYR A 61 3.015 9.534 15.142 1.00 0.88 H new ATOM 0 HE2 TYR A 61 1.350 7.082 12.035 1.00 1.01 H new ATOM 0 HH TYR A 61 0.201 7.717 13.839 1.00 1.16 H new ATOM 963 N TYR A 62 6.285 5.501 10.838 1.00 0.55 N ATOM 964 CA TYR A 62 5.819 4.150 10.589 1.00 0.61 C ATOM 965 C TYR A 62 6.936 3.169 10.905 1.00 0.63 C ATOM 966 O TYR A 62 6.923 2.027 10.446 1.00 0.67 O ATOM 967 CB TYR A 62 5.426 4.000 9.120 1.00 0.56 C ATOM 968 CG TYR A 62 4.290 4.937 8.788 1.00 0.64 C ATOM 969 CD1 TYR A 62 3.021 4.727 9.341 1.00 0.80 C ATOM 970 CD2 TYR A 62 4.507 6.014 7.921 1.00 0.60 C ATOM 971 CE1 TYR A 62 1.969 5.595 9.025 1.00 0.91 C ATOM 972 CE2 TYR A 62 3.457 6.881 7.605 1.00 0.73 C ATOM 973 CZ TYR A 62 2.187 6.673 8.157 1.00 0.87 C ATOM 974 OH TYR A 62 1.149 7.528 7.846 1.00 1.01 O ATOM 0 H TYR A 62 6.657 5.977 10.016 1.00 0.55 H new ATOM 0 HA TYR A 62 4.953 3.947 11.219 1.00 0.61 H new ATOM 0 HB2 TYR A 62 6.283 4.215 8.482 1.00 0.56 H new ATOM 0 HB3 TYR A 62 5.129 2.971 8.918 1.00 0.56 H new ATOM 0 HD1 TYR A 62 2.854 3.896 10.011 1.00 0.80 H new ATOM 0 HD2 TYR A 62 5.487 6.175 7.496 1.00 0.60 H new ATOM 0 HE1 TYR A 62 0.989 5.434 9.450 1.00 0.91 H new ATOM 0 HE2 TYR A 62 3.625 7.711 6.935 1.00 0.73 H new ATOM 0 HH TYR A 62 1.469 8.222 7.233 1.00 1.01 H new ATOM 984 N ARG A 63 7.919 3.631 11.672 1.00 0.63 N ATOM 985 CA ARG A 63 9.050 2.789 12.012 1.00 0.69 C ATOM 986 C ARG A 63 9.661 2.257 10.727 1.00 0.62 C ATOM 987 O ARG A 63 10.606 1.467 10.739 1.00 0.66 O ATOM 988 CB ARG A 63 8.584 1.642 12.901 1.00 0.83 C ATOM 989 CG ARG A 63 7.828 2.219 14.098 1.00 0.97 C ATOM 990 CD ARG A 63 8.068 1.353 15.331 1.00 1.69 C ATOM 991 NE ARG A 63 6.824 1.190 16.070 1.00 2.29 N ATOM 992 CZ ARG A 63 6.750 0.386 17.123 1.00 3.09 C ATOM 993 NH1 ARG A 63 6.908 -0.901 16.976 1.00 3.60 N ATOM 994 NH2 ARG A 63 6.520 0.885 18.303 1.00 3.74 N ATOM 0 H ARG A 63 7.952 4.572 12.063 1.00 0.63 H new ATOM 0 HA ARG A 63 9.800 3.362 12.557 1.00 0.69 H new ATOM 0 HB2 ARG A 63 7.940 0.967 12.338 1.00 0.83 H new ATOM 0 HB3 ARG A 63 9.439 1.057 13.241 1.00 0.83 H new ATOM 0 HG2 ARG A 63 8.158 3.240 14.290 1.00 0.97 H new ATOM 0 HG3 ARG A 63 6.762 2.265 13.878 1.00 0.97 H new ATOM 0 HD2 ARG A 63 8.454 0.379 15.032 1.00 1.69 H new ATOM 0 HD3 ARG A 63 8.823 1.813 15.969 1.00 1.69 H new ATOM 0 HE ARG A 63 5.994 1.703 15.773 1.00 2.29 H new ATOM 0 HH11 ARG A 63 7.089 -1.290 16.051 1.00 3.60 H new ATOM 0 HH12 ARG A 63 6.851 -1.518 17.786 1.00 3.60 H new ATOM 0 HH21 ARG A 63 6.397 1.891 18.416 1.00 3.74 H new ATOM 0 HH22 ARG A 63 6.462 0.270 19.115 1.00 3.74 H new ATOM 1008 N LEU A 64 9.097 2.717 9.616 1.00 0.52 N ATOM 1009 CA LEU A 64 9.551 2.323 8.292 1.00 0.45 C ATOM 1010 C LEU A 64 11.012 2.714 8.091 1.00 0.49 C ATOM 1011 O LEU A 64 11.321 3.876 7.827 1.00 0.85 O ATOM 1012 CB LEU A 64 8.682 3.021 7.246 1.00 0.38 C ATOM 1013 CG LEU A 64 8.772 2.280 5.918 1.00 0.35 C ATOM 1014 CD1 LEU A 64 10.204 2.351 5.391 1.00 0.41 C ATOM 1015 CD2 LEU A 64 8.369 0.819 6.121 1.00 0.44 C ATOM 0 H LEU A 64 8.315 3.371 9.610 1.00 0.52 H new ATOM 0 HA LEU A 64 9.467 1.241 8.188 1.00 0.45 H new ATOM 0 HB2 LEU A 64 7.646 3.054 7.584 1.00 0.38 H new ATOM 0 HB3 LEU A 64 9.009 4.053 7.119 1.00 0.38 H new ATOM 0 HG LEU A 64 8.099 2.743 5.196 1.00 0.35 H new ATOM 0 HD11 LEU A 64 10.269 1.821 4.441 1.00 0.41 H new ATOM 0 HD12 LEU A 64 10.487 3.394 5.245 1.00 0.41 H new ATOM 0 HD13 LEU A 64 10.880 1.889 6.111 1.00 0.41 H new ATOM 0 HD21 LEU A 64 8.433 0.288 5.171 1.00 0.44 H new ATOM 0 HD22 LEU A 64 9.040 0.353 6.843 1.00 0.44 H new ATOM 0 HD23 LEU A 64 7.346 0.772 6.494 1.00 0.44 H new ATOM 1027 N VAL A 65 11.908 1.743 8.227 1.00 0.36 N ATOM 1028 CA VAL A 65 13.333 2.010 8.067 1.00 0.38 C ATOM 1029 C VAL A 65 13.908 1.263 6.865 1.00 0.32 C ATOM 1030 O VAL A 65 15.053 1.494 6.478 1.00 0.37 O ATOM 1031 CB VAL A 65 14.084 1.592 9.333 1.00 0.51 C ATOM 1032 CG1 VAL A 65 15.376 2.403 9.456 1.00 0.65 C ATOM 1033 CG2 VAL A 65 13.203 1.852 10.558 1.00 0.71 C ATOM 0 H VAL A 65 11.677 0.774 8.445 1.00 0.36 H new ATOM 0 HA VAL A 65 13.457 3.079 7.897 1.00 0.38 H new ATOM 0 HB VAL A 65 14.326 0.531 9.275 1.00 0.51 H new ATOM 0 HG11 VAL A 65 15.909 2.104 10.358 1.00 0.65 H new ATOM 0 HG12 VAL A 65 16.005 2.219 8.585 1.00 0.65 H new ATOM 0 HG13 VAL A 65 15.135 3.465 9.512 1.00 0.65 H new ATOM 0 HG21 VAL A 65 13.737 1.554 11.460 1.00 0.71 H new ATOM 0 HG22 VAL A 65 12.961 2.913 10.613 1.00 0.71 H new ATOM 0 HG23 VAL A 65 12.283 1.274 10.474 1.00 0.71 H new ATOM 1043 N VAL A 66 13.123 0.359 6.283 1.00 0.26 N ATOM 1044 CA VAL A 66 13.597 -0.410 5.142 1.00 0.23 C ATOM 1045 C VAL A 66 12.972 0.077 3.838 1.00 0.19 C ATOM 1046 O VAL A 66 11.809 0.480 3.803 1.00 0.20 O ATOM 1047 CB VAL A 66 13.261 -1.884 5.343 1.00 0.24 C ATOM 1048 CG1 VAL A 66 14.044 -2.429 6.539 1.00 0.30 C ATOM 1049 CG2 VAL A 66 11.761 -2.039 5.597 1.00 0.27 C ATOM 0 H VAL A 66 12.171 0.145 6.579 1.00 0.26 H new ATOM 0 HA VAL A 66 14.676 -0.276 5.073 1.00 0.23 H new ATOM 0 HB VAL A 66 13.534 -2.442 4.448 1.00 0.24 H new ATOM 0 HG11 VAL A 66 13.803 -3.482 6.682 1.00 0.30 H new ATOM 0 HG12 VAL A 66 15.113 -2.323 6.353 1.00 0.30 H new ATOM 0 HG13 VAL A 66 13.775 -1.870 7.435 1.00 0.30 H new ATOM 0 HG21 VAL A 66 11.523 -3.093 5.740 1.00 0.27 H new ATOM 0 HG22 VAL A 66 11.484 -1.480 6.490 1.00 0.27 H new ATOM 0 HG23 VAL A 66 11.205 -1.655 4.741 1.00 0.27 H new ATOM 1059 N THR A 67 13.756 0.018 2.766 1.00 0.19 N ATOM 1060 CA THR A 67 13.283 0.436 1.452 1.00 0.17 C ATOM 1061 C THR A 67 13.840 -0.496 0.379 1.00 0.20 C ATOM 1062 O THR A 67 14.955 -1.002 0.500 1.00 0.24 O ATOM 1063 CB THR A 67 13.713 1.876 1.166 1.00 0.20 C ATOM 1064 OG1 THR A 67 15.113 2.002 1.371 1.00 0.26 O ATOM 1065 CG2 THR A 67 12.969 2.827 2.106 1.00 0.24 C ATOM 0 H THR A 67 14.720 -0.315 2.782 1.00 0.19 H new ATOM 0 HA THR A 67 12.194 0.387 1.439 1.00 0.17 H new ATOM 0 HB THR A 67 13.475 2.129 0.133 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.389 2.924 1.186 1.00 0.26 H new ATOM 0 HG21 THR A 67 13.275 3.853 1.902 1.00 0.24 H new ATOM 0 HG22 THR A 67 11.895 2.730 1.946 1.00 0.24 H new ATOM 0 HG23 THR A 67 13.206 2.576 3.140 1.00 0.24 H new ATOM 1073 N PRO A 68 13.078 -0.740 -0.650 1.00 0.21 N ATOM 1074 CA PRO A 68 11.729 -0.138 -0.812 1.00 0.18 C ATOM 1075 C PRO A 68 10.714 -0.755 0.141 1.00 0.17 C ATOM 1076 O PRO A 68 10.971 -1.790 0.756 1.00 0.18 O ATOM 1077 CB PRO A 68 11.343 -0.433 -2.268 1.00 0.21 C ATOM 1078 CG PRO A 68 12.479 -1.192 -2.885 1.00 0.25 C ATOM 1079 CD PRO A 68 13.423 -1.621 -1.764 1.00 0.26 C ATOM 0 HA PRO A 68 11.740 0.928 -0.585 1.00 0.18 H new ATOM 0 HB2 PRO A 68 10.423 -1.016 -2.311 1.00 0.21 H new ATOM 0 HB3 PRO A 68 11.159 0.493 -2.812 1.00 0.21 H new ATOM 0 HG2 PRO A 68 12.107 -2.063 -3.424 1.00 0.25 H new ATOM 0 HG3 PRO A 68 13.005 -0.569 -3.609 1.00 0.25 H new ATOM 0 HD2 PRO A 68 13.280 -2.669 -1.502 1.00 0.26 H new ATOM 0 HD3 PRO A 68 14.467 -1.505 -2.056 1.00 0.26 H new ATOM 1087 N ALA A 69 9.558 -0.113 0.256 1.00 0.18 N ATOM 1088 CA ALA A 69 8.510 -0.608 1.134 1.00 0.18 C ATOM 1089 C ALA A 69 7.143 -0.106 0.676 1.00 0.19 C ATOM 1090 O ALA A 69 7.037 0.934 0.026 1.00 0.25 O ATOM 1091 CB ALA A 69 8.770 -0.142 2.568 1.00 0.21 C ATOM 0 H ALA A 69 9.325 0.745 -0.244 1.00 0.18 H new ATOM 0 HA ALA A 69 8.515 -1.697 1.097 1.00 0.18 H new ATOM 0 HB1 ALA A 69 7.981 -0.516 3.221 1.00 0.21 H new ATOM 0 HB2 ALA A 69 9.733 -0.525 2.906 1.00 0.21 H new ATOM 0 HB3 ALA A 69 8.781 0.947 2.600 1.00 0.21 H new ATOM 1097 N LEU A 70 6.103 -0.847 1.033 1.00 0.18 N ATOM 1098 CA LEU A 70 4.740 -0.475 0.675 1.00 0.18 C ATOM 1099 C LEU A 70 3.879 -0.451 1.932 1.00 0.19 C ATOM 1100 O LEU A 70 4.062 -1.273 2.829 1.00 0.23 O ATOM 1101 CB LEU A 70 4.166 -1.478 -0.328 1.00 0.20 C ATOM 1102 CG LEU A 70 2.956 -0.862 -1.033 1.00 0.22 C ATOM 1103 CD1 LEU A 70 2.677 -1.624 -2.330 1.00 0.29 C ATOM 1104 CD2 LEU A 70 1.735 -0.952 -0.116 1.00 0.21 C ATOM 0 H LEU A 70 6.177 -1.710 1.571 1.00 0.18 H new ATOM 0 HA LEU A 70 4.746 0.514 0.216 1.00 0.18 H new ATOM 0 HB2 LEU A 70 4.926 -1.751 -1.060 1.00 0.20 H new ATOM 0 HB3 LEU A 70 3.873 -2.394 0.185 1.00 0.20 H new ATOM 0 HG LEU A 70 3.163 0.183 -1.264 1.00 0.22 H new ATOM 0 HD11 LEU A 70 1.815 -1.185 -2.832 1.00 0.29 H new ATOM 0 HD12 LEU A 70 3.548 -1.562 -2.983 1.00 0.29 H new ATOM 0 HD13 LEU A 70 2.470 -2.669 -2.101 1.00 0.29 H new ATOM 0 HD21 LEU A 70 0.871 -0.514 -0.616 1.00 0.21 H new ATOM 0 HD22 LEU A 70 1.529 -1.997 0.114 1.00 0.21 H new ATOM 0 HD23 LEU A 70 1.933 -0.409 0.808 1.00 0.21 H new ATOM 1116 N VAL A 71 2.955 0.501 2.009 1.00 0.18 N ATOM 1117 CA VAL A 71 2.106 0.608 3.188 1.00 0.21 C ATOM 1118 C VAL A 71 0.669 0.964 2.823 1.00 0.20 C ATOM 1119 O VAL A 71 0.405 2.009 2.228 1.00 0.20 O ATOM 1120 CB VAL A 71 2.667 1.675 4.129 1.00 0.25 C ATOM 1121 CG1 VAL A 71 1.897 1.648 5.451 1.00 0.32 C ATOM 1122 CG2 VAL A 71 4.148 1.392 4.396 1.00 0.26 C ATOM 0 H VAL A 71 2.777 1.196 1.284 1.00 0.18 H new ATOM 0 HA VAL A 71 2.098 -0.365 3.680 1.00 0.21 H new ATOM 0 HB VAL A 71 2.561 2.657 3.668 1.00 0.25 H new ATOM 0 HG11 VAL A 71 2.298 2.409 6.121 1.00 0.32 H new ATOM 0 HG12 VAL A 71 0.843 1.850 5.262 1.00 0.32 H new ATOM 0 HG13 VAL A 71 2.002 0.666 5.913 1.00 0.32 H new ATOM 0 HG21 VAL A 71 4.549 2.152 5.067 1.00 0.26 H new ATOM 0 HG22 VAL A 71 4.253 0.410 4.857 1.00 0.26 H new ATOM 0 HG23 VAL A 71 4.698 1.412 3.455 1.00 0.26 H new ATOM 1132 N LYS A 72 -0.258 0.094 3.212 1.00 0.21 N ATOM 1133 CA LYS A 72 -1.673 0.326 2.956 1.00 0.21 C ATOM 1134 C LYS A 72 -2.277 1.090 4.129 1.00 0.22 C ATOM 1135 O LYS A 72 -2.096 0.708 5.284 1.00 0.25 O ATOM 1136 CB LYS A 72 -2.400 -1.009 2.776 1.00 0.23 C ATOM 1137 CG LYS A 72 -3.859 -0.751 2.396 1.00 0.27 C ATOM 1138 CD LYS A 72 -4.777 -1.481 3.378 1.00 0.57 C ATOM 1139 CE LYS A 72 -5.822 -2.282 2.600 1.00 0.90 C ATOM 1140 NZ LYS A 72 -6.971 -2.598 3.494 1.00 1.65 N ATOM 0 H LYS A 72 -0.054 -0.776 3.704 1.00 0.21 H new ATOM 0 HA LYS A 72 -1.784 0.911 2.043 1.00 0.21 H new ATOM 0 HB2 LYS A 72 -1.911 -1.600 2.001 1.00 0.23 H new ATOM 0 HB3 LYS A 72 -2.351 -1.589 3.698 1.00 0.23 H new ATOM 0 HG2 LYS A 72 -4.067 0.319 2.413 1.00 0.27 H new ATOM 0 HG3 LYS A 72 -4.048 -1.096 1.379 1.00 0.27 H new ATOM 0 HD2 LYS A 72 -4.192 -2.146 4.013 1.00 0.57 H new ATOM 0 HD3 LYS A 72 -5.268 -0.763 4.035 1.00 0.57 H new ATOM 0 HE2 LYS A 72 -6.165 -1.711 1.737 1.00 0.90 H new ATOM 0 HE3 LYS A 72 -5.380 -3.203 2.218 1.00 0.90 H new ATOM 0 HZ1 LYS A 72 -7.617 -3.254 3.010 1.00 1.65 H new ATOM 0 HZ2 LYS A 72 -6.620 -3.039 4.368 1.00 1.65 H new ATOM 0 HZ3 LYS A 72 -7.480 -1.722 3.728 1.00 1.65 H new ATOM 1154 N ILE A 73 -2.973 2.180 3.833 1.00 0.23 N ATOM 1155 CA ILE A 73 -3.568 2.991 4.890 1.00 0.26 C ATOM 1156 C ILE A 73 -5.060 2.711 5.033 1.00 0.30 C ATOM 1157 O ILE A 73 -5.641 2.951 6.091 1.00 0.34 O ATOM 1158 CB ILE A 73 -3.353 4.474 4.588 1.00 0.28 C ATOM 1159 CG1 ILE A 73 -3.299 4.682 3.072 1.00 0.26 C ATOM 1160 CG2 ILE A 73 -2.034 4.935 5.213 1.00 0.31 C ATOM 1161 CD1 ILE A 73 -1.870 4.455 2.574 1.00 0.24 C ATOM 0 H ILE A 73 -3.139 2.520 2.886 1.00 0.23 H new ATOM 0 HA ILE A 73 -3.080 2.729 5.829 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.176 5.054 5.006 1.00 0.28 H new ATOM 0 HG12 ILE A 73 -3.982 3.993 2.576 1.00 0.26 H new ATOM 0 HG13 ILE A 73 -3.626 5.691 2.821 1.00 0.26 H new ATOM 0 HG21 ILE A 73 -1.880 5.992 4.998 1.00 0.31 H new ATOM 0 HG22 ILE A 73 -2.071 4.785 6.292 1.00 0.31 H new ATOM 0 HG23 ILE A 73 -1.211 4.356 4.794 1.00 0.31 H new ATOM 0 HD11 ILE A 73 -1.833 4.603 1.495 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -1.198 5.162 3.061 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -1.559 3.437 2.811 1.00 0.24 H new ATOM 1173 N GLY A 74 -5.679 2.201 3.975 1.00 0.30 N ATOM 1174 CA GLY A 74 -7.104 1.899 4.029 1.00 0.35 C ATOM 1175 C GLY A 74 -7.745 1.954 2.647 1.00 0.37 C ATOM 1176 O GLY A 74 -7.066 2.122 1.634 1.00 0.37 O ATOM 0 H GLY A 74 -5.227 1.991 3.085 1.00 0.30 H new ATOM 0 HA2 GLY A 74 -7.250 0.908 4.459 1.00 0.35 H new ATOM 0 HA3 GLY A 74 -7.602 2.609 4.689 1.00 0.35 H new ATOM 1180 N PRO A 75 -9.040 1.804 2.605 1.00 0.46 N ATOM 1181 CA PRO A 75 -9.850 1.603 3.835 1.00 0.52 C ATOM 1182 C PRO A 75 -9.499 0.293 4.537 1.00 0.55 C ATOM 1183 O PRO A 75 -8.782 -0.544 3.987 1.00 1.16 O ATOM 1184 CB PRO A 75 -11.308 1.598 3.362 1.00 0.65 C ATOM 1185 CG PRO A 75 -11.304 1.808 1.877 1.00 0.66 C ATOM 1186 CD PRO A 75 -9.854 1.809 1.387 1.00 0.55 C ATOM 0 HA PRO A 75 -9.659 2.388 4.567 1.00 0.52 H new ATOM 0 HB2 PRO A 75 -11.789 0.653 3.614 1.00 0.65 H new ATOM 0 HB3 PRO A 75 -11.874 2.386 3.859 1.00 0.65 H new ATOM 0 HG2 PRO A 75 -11.870 1.019 1.382 1.00 0.66 H new ATOM 0 HG3 PRO A 75 -11.788 2.752 1.627 1.00 0.66 H new ATOM 0 HD2 PRO A 75 -9.646 0.935 0.770 1.00 0.55 H new ATOM 0 HD3 PRO A 75 -9.645 2.687 0.776 1.00 0.55 H new ATOM 1194 N GLY A 76 -10.000 0.129 5.756 1.00 0.73 N ATOM 1195 CA GLY A 76 -9.723 -1.077 6.528 1.00 0.73 C ATOM 1196 C GLY A 76 -8.523 -0.864 7.444 1.00 0.63 C ATOM 1197 O GLY A 76 -8.103 0.270 7.675 1.00 0.64 O ATOM 0 H GLY A 76 -10.595 0.810 6.228 1.00 0.73 H new ATOM 0 HA2 GLY A 76 -10.597 -1.344 7.121 1.00 0.73 H new ATOM 0 HA3 GLY A 76 -9.529 -1.911 5.853 1.00 0.73 H new ATOM 1201 N SER A 77 -7.972 -1.957 7.963 1.00 0.60 N ATOM 1202 CA SER A 77 -6.818 -1.866 8.851 1.00 0.53 C ATOM 1203 C SER A 77 -5.566 -1.476 8.076 1.00 0.43 C ATOM 1204 O SER A 77 -5.514 -1.598 6.852 1.00 0.46 O ATOM 1205 CB SER A 77 -6.585 -3.203 9.552 1.00 0.59 C ATOM 1206 OG SER A 77 -5.243 -3.259 10.019 1.00 0.56 O ATOM 0 H SER A 77 -8.301 -2.906 7.787 1.00 0.60 H new ATOM 0 HA SER A 77 -7.025 -1.096 9.595 1.00 0.53 H new ATOM 0 HB2 SER A 77 -7.278 -3.315 10.386 1.00 0.59 H new ATOM 0 HB3 SER A 77 -6.778 -4.026 8.864 1.00 0.59 H new ATOM 0 HG SER A 77 -5.089 -4.115 10.471 1.00 0.56 H new ATOM 1212 N ARG A 78 -4.558 -1.008 8.802 1.00 0.38 N ATOM 1213 CA ARG A 78 -3.302 -0.602 8.182 1.00 0.31 C ATOM 1214 C ARG A 78 -2.325 -1.772 8.140 1.00 0.29 C ATOM 1215 O ARG A 78 -2.364 -2.657 8.994 1.00 0.36 O ATOM 1216 CB ARG A 78 -2.680 0.554 8.968 1.00 0.34 C ATOM 1217 CG ARG A 78 -1.665 1.282 8.084 1.00 0.36 C ATOM 1218 CD ARG A 78 -0.692 2.067 8.963 1.00 0.48 C ATOM 1219 NE ARG A 78 -0.681 1.523 10.315 1.00 1.09 N ATOM 1220 CZ ARG A 78 0.241 1.895 11.196 1.00 1.51 C ATOM 1221 NH1 ARG A 78 1.384 2.371 10.784 1.00 2.02 N ATOM 1222 NH2 ARG A 78 0.007 1.784 12.474 1.00 2.21 N ATOM 0 H ARG A 78 -4.585 -0.900 9.816 1.00 0.38 H new ATOM 0 HA ARG A 78 -3.510 -0.277 7.162 1.00 0.31 H new ATOM 0 HB2 ARG A 78 -3.457 1.246 9.294 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -2.192 0.176 9.866 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -1.120 0.564 7.471 1.00 0.36 H new ATOM 0 HG3 ARG A 78 -2.180 1.957 7.401 1.00 0.36 H new ATOM 0 HD2 ARG A 78 0.310 2.022 8.537 1.00 0.48 H new ATOM 0 HD3 ARG A 78 -0.981 3.118 8.989 1.00 0.48 H new ATOM 0 HE ARG A 78 -1.393 0.846 10.589 1.00 1.09 H new ATOM 0 HH11 ARG A 78 1.570 2.458 9.785 1.00 2.02 H new ATOM 0 HH12 ARG A 78 2.091 2.656 11.461 1.00 2.02 H new ATOM 0 HH21 ARG A 78 -0.885 1.411 12.799 1.00 2.21 H new ATOM 0 HH22 ARG A 78 0.716 2.070 13.149 1.00 2.21 H new ATOM 1236 N GLN A 79 -1.448 -1.768 7.143 1.00 0.26 N ATOM 1237 CA GLN A 79 -0.462 -2.831 7.001 1.00 0.28 C ATOM 1238 C GLN A 79 0.821 -2.280 6.388 1.00 0.25 C ATOM 1239 O GLN A 79 0.790 -1.296 5.648 1.00 0.26 O ATOM 1240 CB GLN A 79 -1.020 -3.950 6.119 1.00 0.37 C ATOM 1241 CG GLN A 79 -2.364 -4.419 6.680 1.00 0.45 C ATOM 1242 CD GLN A 79 -2.777 -5.730 6.022 1.00 0.79 C ATOM 1243 OE1 GLN A 79 -3.717 -5.758 5.228 1.00 1.72 O ATOM 1244 NE2 GLN A 79 -2.126 -6.826 6.307 1.00 1.29 N ATOM 0 H GLN A 79 -1.400 -1.045 6.425 1.00 0.26 H new ATOM 0 HA GLN A 79 -0.238 -3.234 7.989 1.00 0.28 H new ATOM 0 HB2 GLN A 79 -1.145 -3.594 5.097 1.00 0.37 H new ATOM 0 HB3 GLN A 79 -0.318 -4.783 6.083 1.00 0.37 H new ATOM 0 HG2 GLN A 79 -2.290 -4.552 7.759 1.00 0.45 H new ATOM 0 HG3 GLN A 79 -3.125 -3.659 6.504 1.00 0.45 H new ATOM 0 HE21 GLN A 79 -1.347 -6.800 6.965 1.00 1.29 H new ATOM 0 HE22 GLN A 79 -2.396 -7.708 5.871 1.00 1.29 H new ATOM 1253 N VAL A 80 1.947 -2.910 6.704 1.00 0.26 N ATOM 1254 CA VAL A 80 3.230 -2.458 6.179 1.00 0.25 C ATOM 1255 C VAL A 80 3.967 -3.593 5.478 1.00 0.24 C ATOM 1256 O VAL A 80 4.360 -4.577 6.105 1.00 0.26 O ATOM 1257 CB VAL A 80 4.096 -1.914 7.316 1.00 0.30 C ATOM 1258 CG1 VAL A 80 5.425 -1.410 6.750 1.00 0.34 C ATOM 1259 CG2 VAL A 80 3.366 -0.760 8.005 1.00 0.33 C ATOM 0 H VAL A 80 1.998 -3.726 7.314 1.00 0.26 H new ATOM 0 HA VAL A 80 3.038 -1.669 5.452 1.00 0.25 H new ATOM 0 HB VAL A 80 4.287 -2.708 8.038 1.00 0.30 H new ATOM 0 HG11 VAL A 80 6.042 -1.022 7.561 1.00 0.34 H new ATOM 0 HG12 VAL A 80 5.946 -2.232 6.258 1.00 0.34 H new ATOM 0 HG13 VAL A 80 5.235 -0.617 6.027 1.00 0.34 H new ATOM 0 HG21 VAL A 80 3.983 -0.372 8.816 1.00 0.33 H new ATOM 0 HG22 VAL A 80 3.175 0.033 7.282 1.00 0.33 H new ATOM 0 HG23 VAL A 80 2.419 -1.118 8.409 1.00 0.33 H new ATOM 1269 N LEU A 81 4.161 -3.439 4.173 1.00 0.22 N ATOM 1270 CA LEU A 81 4.865 -4.443 3.385 1.00 0.21 C ATOM 1271 C LEU A 81 6.220 -3.903 2.950 1.00 0.21 C ATOM 1272 O LEU A 81 6.302 -2.826 2.368 1.00 0.23 O ATOM 1273 CB LEU A 81 4.046 -4.808 2.147 1.00 0.24 C ATOM 1274 CG LEU A 81 2.611 -5.126 2.559 1.00 0.30 C ATOM 1275 CD1 LEU A 81 1.762 -5.335 1.307 1.00 0.33 C ATOM 1276 CD2 LEU A 81 2.596 -6.401 3.403 1.00 0.35 C ATOM 0 H LEU A 81 3.841 -2.630 3.640 1.00 0.22 H new ATOM 0 HA LEU A 81 5.007 -5.333 3.999 1.00 0.21 H new ATOM 0 HB2 LEU A 81 4.056 -3.983 1.435 1.00 0.24 H new ATOM 0 HB3 LEU A 81 4.490 -5.668 1.645 1.00 0.24 H new ATOM 0 HG LEU A 81 2.205 -4.299 3.142 1.00 0.30 H new ATOM 0 HD11 LEU A 81 0.736 -5.562 1.597 1.00 0.33 H new ATOM 0 HD12 LEU A 81 1.776 -4.428 0.703 1.00 0.33 H new ATOM 0 HD13 LEU A 81 2.167 -6.164 0.727 1.00 0.33 H new ATOM 0 HD21 LEU A 81 1.572 -6.630 3.698 1.00 0.35 H new ATOM 0 HD22 LEU A 81 2.999 -7.229 2.819 1.00 0.35 H new ATOM 0 HD23 LEU A 81 3.206 -6.255 4.294 1.00 0.35 H new ATOM 1288 N SER A 82 7.281 -4.645 3.231 1.00 0.20 N ATOM 1289 CA SER A 82 8.614 -4.199 2.849 1.00 0.21 C ATOM 1290 C SER A 82 9.566 -5.375 2.713 1.00 0.21 C ATOM 1291 O SER A 82 9.241 -6.505 3.078 1.00 0.23 O ATOM 1292 CB SER A 82 9.164 -3.225 3.889 1.00 0.24 C ATOM 1293 OG SER A 82 10.538 -2.978 3.619 1.00 0.27 O ATOM 0 H SER A 82 7.248 -5.543 3.713 1.00 0.20 H new ATOM 0 HA SER A 82 8.533 -3.699 1.884 1.00 0.21 H new ATOM 0 HB2 SER A 82 8.602 -2.291 3.863 1.00 0.24 H new ATOM 0 HB3 SER A 82 9.047 -3.639 4.890 1.00 0.24 H new ATOM 0 HG SER A 82 10.623 -2.490 2.773 1.00 0.27 H new ATOM 1299 N GLY A 83 10.748 -5.091 2.189 1.00 0.20 N ATOM 1300 CA GLY A 83 11.761 -6.122 2.006 1.00 0.22 C ATOM 1301 C GLY A 83 11.622 -6.791 0.642 1.00 0.21 C ATOM 1302 O GLY A 83 11.358 -7.990 0.549 1.00 0.24 O ATOM 0 H GLY A 83 11.030 -4.160 1.884 1.00 0.20 H new ATOM 0 HA2 GLY A 83 12.754 -5.682 2.099 1.00 0.22 H new ATOM 0 HA3 GLY A 83 11.669 -6.871 2.793 1.00 0.22 H new ATOM 1306 N ILE A 84 11.806 -6.006 -0.410 1.00 0.23 N ATOM 1307 CA ILE A 84 11.707 -6.519 -1.773 1.00 0.27 C ATOM 1308 C ILE A 84 10.689 -7.654 -1.866 1.00 0.26 C ATOM 1309 O ILE A 84 10.542 -8.281 -2.915 1.00 0.30 O ATOM 1310 CB ILE A 84 13.073 -7.022 -2.238 1.00 0.34 C ATOM 1311 CG1 ILE A 84 13.391 -8.348 -1.542 1.00 0.35 C ATOM 1312 CG2 ILE A 84 14.143 -5.990 -1.880 1.00 0.38 C ATOM 1313 CD1 ILE A 84 14.681 -8.932 -2.120 1.00 0.44 C ATOM 0 H ILE A 84 12.025 -5.012 -0.348 1.00 0.23 H new ATOM 0 HA ILE A 84 11.373 -5.704 -2.416 1.00 0.27 H new ATOM 0 HB ILE A 84 13.058 -7.172 -3.318 1.00 0.34 H new ATOM 0 HG12 ILE A 84 13.500 -8.191 -0.469 1.00 0.35 H new ATOM 0 HG13 ILE A 84 12.568 -9.050 -1.680 1.00 0.35 H new ATOM 0 HG21 ILE A 84 15.118 -6.347 -2.211 1.00 0.38 H new ATOM 0 HG22 ILE A 84 13.916 -5.045 -2.373 1.00 0.38 H new ATOM 0 HG23 ILE A 84 14.158 -5.841 -0.800 1.00 0.38 H new ATOM 0 HD11 ILE A 84 14.907 -9.876 -1.624 1.00 0.44 H new ATOM 0 HD12 ILE A 84 14.555 -9.104 -3.189 1.00 0.44 H new ATOM 0 HD13 ILE A 84 15.501 -8.232 -1.959 1.00 0.44 H new ATOM 1325 N ASP A 85 9.986 -7.914 -0.769 1.00 0.23 N ATOM 1326 CA ASP A 85 8.984 -8.977 -0.753 1.00 0.25 C ATOM 1327 C ASP A 85 7.586 -8.393 -0.933 1.00 0.24 C ATOM 1328 O ASP A 85 6.587 -9.108 -0.861 1.00 0.26 O ATOM 1329 CB ASP A 85 9.055 -9.744 0.570 1.00 0.29 C ATOM 1330 CG ASP A 85 8.615 -8.843 1.719 1.00 0.28 C ATOM 1331 OD1 ASP A 85 8.363 -7.676 1.467 1.00 1.05 O ATOM 1332 OD2 ASP A 85 8.538 -9.333 2.834 1.00 1.05 O ATOM 0 H ASP A 85 10.088 -7.411 0.112 1.00 0.23 H new ATOM 0 HA ASP A 85 9.190 -9.660 -1.577 1.00 0.25 H new ATOM 0 HB2 ASP A 85 8.416 -10.626 0.523 1.00 0.29 H new ATOM 0 HB3 ASP A 85 10.072 -10.096 0.742 1.00 0.29 H new ATOM 1337 N LEU A 86 7.530 -7.087 -1.163 1.00 0.23 N ATOM 1338 CA LEU A 86 6.261 -6.396 -1.350 1.00 0.24 C ATOM 1339 C LEU A 86 5.329 -7.173 -2.277 1.00 0.25 C ATOM 1340 O LEU A 86 4.144 -7.330 -1.984 1.00 0.24 O ATOM 1341 CB LEU A 86 6.519 -5.009 -1.935 1.00 0.26 C ATOM 1342 CG LEU A 86 7.543 -4.275 -1.071 1.00 0.27 C ATOM 1343 CD1 LEU A 86 8.817 -4.033 -1.882 1.00 1.08 C ATOM 1344 CD2 LEU A 86 6.961 -2.932 -0.626 1.00 0.94 C ATOM 0 H LEU A 86 8.351 -6.484 -1.225 1.00 0.23 H new ATOM 0 HA LEU A 86 5.776 -6.311 -0.377 1.00 0.24 H new ATOM 0 HB2 LEU A 86 6.886 -5.096 -2.958 1.00 0.26 H new ATOM 0 HB3 LEU A 86 5.589 -4.442 -1.977 1.00 0.26 H new ATOM 0 HG LEU A 86 7.780 -4.879 -0.195 1.00 0.27 H new ATOM 0 HD11 LEU A 86 9.547 -3.509 -1.265 1.00 1.08 H new ATOM 0 HD12 LEU A 86 9.232 -4.989 -2.202 1.00 1.08 H new ATOM 0 HD13 LEU A 86 8.581 -3.428 -2.758 1.00 1.08 H new ATOM 0 HD21 LEU A 86 7.690 -2.406 -0.009 1.00 0.94 H new ATOM 0 HD22 LEU A 86 6.725 -2.329 -1.503 1.00 0.94 H new ATOM 0 HD23 LEU A 86 6.053 -3.103 -0.048 1.00 0.94 H new ATOM 1356 N THR A 87 5.861 -7.640 -3.402 1.00 0.27 N ATOM 1357 CA THR A 87 5.049 -8.377 -4.366 1.00 0.30 C ATOM 1358 C THR A 87 4.552 -9.691 -3.778 1.00 0.27 C ATOM 1359 O THR A 87 3.429 -10.114 -4.052 1.00 0.28 O ATOM 1360 CB THR A 87 5.857 -8.656 -5.636 1.00 0.36 C ATOM 1361 OG1 THR A 87 6.972 -9.477 -5.315 1.00 0.38 O ATOM 1362 CG2 THR A 87 6.348 -7.337 -6.235 1.00 0.42 C ATOM 0 H THR A 87 6.839 -7.524 -3.667 1.00 0.27 H new ATOM 0 HA THR A 87 4.185 -7.761 -4.613 1.00 0.30 H new ATOM 0 HB THR A 87 5.225 -9.167 -6.362 1.00 0.36 H new ATOM 0 HG1 THR A 87 7.490 -9.658 -6.127 1.00 0.38 H new ATOM 0 HG21 THR A 87 6.923 -7.539 -7.139 1.00 0.42 H new ATOM 0 HG22 THR A 87 5.492 -6.709 -6.482 1.00 0.42 H new ATOM 0 HG23 THR A 87 6.979 -6.821 -5.511 1.00 0.42 H new ATOM 1370 N ASP A 88 5.379 -10.330 -2.963 1.00 0.26 N ATOM 1371 CA ASP A 88 4.986 -11.584 -2.346 1.00 0.26 C ATOM 1372 C ASP A 88 3.975 -11.305 -1.244 1.00 0.23 C ATOM 1373 O ASP A 88 2.923 -11.941 -1.170 1.00 0.25 O ATOM 1374 CB ASP A 88 6.213 -12.285 -1.764 1.00 0.30 C ATOM 1375 CG ASP A 88 7.076 -12.845 -2.890 1.00 0.36 C ATOM 1376 OD1 ASP A 88 6.726 -12.633 -4.039 1.00 1.18 O ATOM 1377 OD2 ASP A 88 8.074 -13.476 -2.586 1.00 1.11 O ATOM 0 H ASP A 88 6.314 -10.005 -2.717 1.00 0.26 H new ATOM 0 HA ASP A 88 4.535 -12.233 -3.096 1.00 0.26 H new ATOM 0 HB2 ASP A 88 6.793 -11.583 -1.165 1.00 0.30 H new ATOM 0 HB3 ASP A 88 5.901 -13.090 -1.099 1.00 0.30 H new ATOM 1382 N GLN A 89 4.297 -10.331 -0.401 1.00 0.21 N ATOM 1383 CA GLN A 89 3.408 -9.949 0.684 1.00 0.22 C ATOM 1384 C GLN A 89 2.149 -9.293 0.125 1.00 0.21 C ATOM 1385 O GLN A 89 1.038 -9.584 0.569 1.00 0.23 O ATOM 1386 CB GLN A 89 4.120 -8.978 1.627 1.00 0.24 C ATOM 1387 CG GLN A 89 3.913 -9.427 3.074 1.00 0.55 C ATOM 1388 CD GLN A 89 4.708 -8.531 4.017 1.00 0.60 C ATOM 1389 OE1 GLN A 89 5.722 -7.851 3.555 1.00 0.85 O flip ATOM 1390 NE2 GLN A 89 4.398 -8.447 5.205 1.00 0.61 N flip ATOM 0 H GLN A 89 5.163 -9.795 -0.449 1.00 0.21 H new ATOM 0 HA GLN A 89 3.127 -10.845 1.238 1.00 0.22 H new ATOM 0 HB2 GLN A 89 5.184 -8.944 1.395 1.00 0.24 H new ATOM 0 HB3 GLN A 89 3.731 -7.969 1.489 1.00 0.24 H new ATOM 0 HG2 GLN A 89 2.854 -9.387 3.328 1.00 0.55 H new ATOM 0 HG3 GLN A 89 4.230 -10.463 3.191 1.00 0.55 H new ATOM 0 HE21 GLN A 89 3.605 -8.979 5.564 1.00 0.61 H new ATOM 0 HE22 GLN A 89 4.934 -7.845 5.831 1.00 0.61 H new ATOM 1399 N LEU A 90 2.329 -8.405 -0.853 1.00 0.22 N ATOM 1400 CA LEU A 90 1.196 -7.718 -1.461 1.00 0.24 C ATOM 1401 C LEU A 90 0.199 -8.724 -2.025 1.00 0.24 C ATOM 1402 O LEU A 90 -0.981 -8.702 -1.678 1.00 0.25 O ATOM 1403 CB LEU A 90 1.677 -6.791 -2.578 1.00 0.28 C ATOM 1404 CG LEU A 90 0.470 -6.130 -3.247 1.00 0.32 C ATOM 1405 CD1 LEU A 90 -0.289 -5.287 -2.219 1.00 0.66 C ATOM 1406 CD2 LEU A 90 0.950 -5.229 -4.388 1.00 0.43 C ATOM 0 H LEU A 90 3.239 -8.148 -1.236 1.00 0.22 H new ATOM 0 HA LEU A 90 0.702 -7.126 -0.690 1.00 0.24 H new ATOM 0 HB2 LEU A 90 2.343 -6.030 -2.172 1.00 0.28 H new ATOM 0 HB3 LEU A 90 2.249 -7.356 -3.313 1.00 0.28 H new ATOM 0 HG LEU A 90 -0.191 -6.901 -3.643 1.00 0.32 H new ATOM 0 HD11 LEU A 90 -1.148 -4.817 -2.697 1.00 0.66 H new ATOM 0 HD12 LEU A 90 -0.631 -5.927 -1.405 1.00 0.66 H new ATOM 0 HD13 LEU A 90 0.371 -4.516 -1.821 1.00 0.66 H new ATOM 0 HD21 LEU A 90 0.091 -4.758 -4.865 1.00 0.43 H new ATOM 0 HD22 LEU A 90 1.612 -4.460 -3.990 1.00 0.43 H new ATOM 0 HD23 LEU A 90 1.490 -5.828 -5.122 1.00 0.43 H new ATOM 1418 N ALA A 91 0.680 -9.603 -2.896 1.00 0.25 N ATOM 1419 CA ALA A 91 -0.181 -10.613 -3.501 1.00 0.29 C ATOM 1420 C ALA A 91 -0.915 -11.403 -2.423 1.00 0.29 C ATOM 1421 O ALA A 91 -2.070 -11.788 -2.600 1.00 0.30 O ATOM 1422 CB ALA A 91 0.655 -11.568 -4.355 1.00 0.34 C ATOM 0 H ALA A 91 1.654 -9.638 -3.198 1.00 0.25 H new ATOM 0 HA ALA A 91 -0.914 -10.110 -4.131 1.00 0.29 H new ATOM 0 HB1 ALA A 91 0.005 -12.319 -4.803 1.00 0.34 H new ATOM 0 HB2 ALA A 91 1.158 -11.007 -5.143 1.00 0.34 H new ATOM 0 HB3 ALA A 91 1.399 -12.060 -3.728 1.00 0.34 H new ATOM 1428 N ASN A 92 -0.235 -11.639 -1.307 1.00 0.30 N ATOM 1429 CA ASN A 92 -0.827 -12.383 -0.205 1.00 0.32 C ATOM 1430 C ASN A 92 -1.708 -11.474 0.643 1.00 0.29 C ATOM 1431 O ASN A 92 -2.731 -11.903 1.177 1.00 0.29 O ATOM 1432 CB ASN A 92 0.277 -12.977 0.666 1.00 0.39 C ATOM 1433 CG ASN A 92 0.816 -14.252 0.027 1.00 0.46 C ATOM 1434 OD1 ASN A 92 0.210 -14.786 -0.902 1.00 1.14 O ATOM 1435 ND2 ASN A 92 1.927 -14.774 0.472 1.00 1.27 N ATOM 0 H ASN A 92 0.722 -11.327 -1.143 1.00 0.30 H new ATOM 0 HA ASN A 92 -1.442 -13.183 -0.617 1.00 0.32 H new ATOM 0 HB2 ASN A 92 1.083 -12.254 0.790 1.00 0.39 H new ATOM 0 HB3 ASN A 92 -0.111 -13.195 1.661 1.00 0.39 H new ATOM 0 HD21 ASN A 92 2.295 -15.626 0.050 1.00 1.27 H new ATOM 0 HD22 ASN A 92 2.427 -14.329 1.242 1.00 1.27 H new ATOM 1442 N GLN A 93 -1.297 -10.218 0.768 1.00 0.28 N ATOM 1443 CA GLN A 93 -2.046 -9.254 1.558 1.00 0.29 C ATOM 1444 C GLN A 93 -3.245 -8.727 0.776 1.00 0.26 C ATOM 1445 O GLN A 93 -4.290 -8.426 1.355 1.00 0.28 O ATOM 1446 CB GLN A 93 -1.137 -8.088 1.945 1.00 0.35 C ATOM 1447 CG GLN A 93 -0.172 -8.533 3.045 1.00 0.41 C ATOM 1448 CD GLN A 93 -0.951 -9.097 4.229 1.00 0.43 C ATOM 1449 OE1 GLN A 93 -1.830 -8.426 4.770 1.00 0.78 O ATOM 1450 NE2 GLN A 93 -0.678 -10.296 4.665 1.00 0.49 N ATOM 0 H GLN A 93 -0.452 -9.846 0.334 1.00 0.28 H new ATOM 0 HA GLN A 93 -2.409 -9.753 2.457 1.00 0.29 H new ATOM 0 HB2 GLN A 93 -0.578 -7.745 1.074 1.00 0.35 H new ATOM 0 HB3 GLN A 93 -1.736 -7.246 2.292 1.00 0.35 H new ATOM 0 HG2 GLN A 93 0.511 -9.288 2.656 1.00 0.41 H new ATOM 0 HG3 GLN A 93 0.437 -7.689 3.369 1.00 0.41 H new ATOM 0 HE21 GLN A 93 0.051 -10.849 4.214 1.00 0.49 H new ATOM 0 HE22 GLN A 93 -1.194 -10.680 5.457 1.00 0.49 H new ATOM 1459 N LEU A 94 -3.092 -8.616 -0.539 1.00 0.26 N ATOM 1460 CA LEU A 94 -4.175 -8.124 -1.381 1.00 0.28 C ATOM 1461 C LEU A 94 -5.448 -8.921 -1.120 1.00 0.27 C ATOM 1462 O LEU A 94 -6.462 -8.369 -0.693 1.00 0.30 O ATOM 1463 CB LEU A 94 -3.789 -8.241 -2.856 1.00 0.33 C ATOM 1464 CG LEU A 94 -5.021 -7.994 -3.727 1.00 0.38 C ATOM 1465 CD1 LEU A 94 -5.699 -6.692 -3.296 1.00 0.43 C ATOM 1466 CD2 LEU A 94 -4.594 -7.885 -5.192 1.00 0.45 C ATOM 0 H LEU A 94 -2.237 -8.857 -1.041 1.00 0.26 H new ATOM 0 HA LEU A 94 -4.354 -7.076 -1.140 1.00 0.28 H new ATOM 0 HB2 LEU A 94 -3.009 -7.519 -3.097 1.00 0.33 H new ATOM 0 HB3 LEU A 94 -3.380 -9.231 -3.058 1.00 0.33 H new ATOM 0 HG LEU A 94 -5.720 -8.822 -3.611 1.00 0.38 H new ATOM 0 HD11 LEU A 94 -6.577 -6.516 -3.917 1.00 0.43 H new ATOM 0 HD12 LEU A 94 -6.002 -6.768 -2.252 1.00 0.43 H new ATOM 0 HD13 LEU A 94 -5.001 -5.863 -3.412 1.00 0.43 H new ATOM 0 HD21 LEU A 94 -5.471 -7.709 -5.815 1.00 0.45 H new ATOM 0 HD22 LEU A 94 -3.895 -7.056 -5.307 1.00 0.45 H new ATOM 0 HD23 LEU A 94 -4.111 -8.812 -5.500 1.00 0.45 H new ATOM 1478 N PRO A 95 -5.403 -10.205 -1.355 1.00 0.27 N ATOM 1479 CA PRO A 95 -6.565 -11.103 -1.133 1.00 0.30 C ATOM 1480 C PRO A 95 -7.204 -10.854 0.228 1.00 0.29 C ATOM 1481 O PRO A 95 -8.427 -10.822 0.358 1.00 0.33 O ATOM 1482 CB PRO A 95 -5.982 -12.522 -1.205 1.00 0.36 C ATOM 1483 CG PRO A 95 -4.510 -12.382 -1.459 1.00 0.35 C ATOM 1484 CD PRO A 95 -4.242 -10.933 -1.865 1.00 0.29 C ATOM 0 HA PRO A 95 -7.351 -10.938 -1.870 1.00 0.30 H new ATOM 0 HB2 PRO A 95 -6.163 -13.060 -0.275 1.00 0.36 H new ATOM 0 HB3 PRO A 95 -6.458 -13.094 -2.002 1.00 0.36 H new ATOM 0 HG2 PRO A 95 -3.942 -12.640 -0.565 1.00 0.35 H new ATOM 0 HG3 PRO A 95 -4.192 -13.065 -2.247 1.00 0.35 H new ATOM 0 HD2 PRO A 95 -3.314 -10.561 -1.430 1.00 0.29 H new ATOM 0 HD3 PRO A 95 -4.150 -10.831 -2.946 1.00 0.29 H new ATOM 1492 N GLN A 96 -6.360 -10.669 1.239 1.00 0.28 N ATOM 1493 CA GLN A 96 -6.845 -10.413 2.588 1.00 0.34 C ATOM 1494 C GLN A 96 -7.567 -9.073 2.636 1.00 0.34 C ATOM 1495 O GLN A 96 -8.518 -8.894 3.396 1.00 0.41 O ATOM 1496 CB GLN A 96 -5.675 -10.409 3.574 1.00 0.38 C ATOM 1497 CG GLN A 96 -4.971 -11.765 3.528 1.00 0.44 C ATOM 1498 CD GLN A 96 -3.844 -11.808 4.552 1.00 0.72 C ATOM 1499 OE1 GLN A 96 -3.405 -10.765 5.039 1.00 1.17 O ATOM 1500 NE2 GLN A 96 -3.346 -12.960 4.911 1.00 1.43 N ATOM 0 H GLN A 96 -5.344 -10.692 1.149 1.00 0.28 H new ATOM 0 HA GLN A 96 -7.542 -11.203 2.868 1.00 0.34 H new ATOM 0 HB2 GLN A 96 -4.974 -9.614 3.321 1.00 0.38 H new ATOM 0 HB3 GLN A 96 -6.035 -10.207 4.583 1.00 0.38 H new ATOM 0 HG2 GLN A 96 -5.687 -12.562 3.731 1.00 0.44 H new ATOM 0 HG3 GLN A 96 -4.572 -11.942 2.529 1.00 0.44 H new ATOM 0 HE21 GLN A 96 -3.711 -13.822 4.506 1.00 1.43 H new ATOM 0 HE22 GLN A 96 -2.592 -12.998 5.596 1.00 1.43 H new ATOM 1509 N TRP A 97 -7.114 -8.137 1.806 1.00 0.32 N ATOM 1510 CA TRP A 97 -7.731 -6.819 1.750 1.00 0.39 C ATOM 1511 C TRP A 97 -9.124 -6.937 1.147 1.00 0.43 C ATOM 1512 O TRP A 97 -10.112 -6.512 1.750 1.00 0.54 O ATOM 1513 CB TRP A 97 -6.874 -5.874 0.906 1.00 0.41 C ATOM 1514 CG TRP A 97 -5.486 -5.837 1.461 1.00 0.39 C ATOM 1515 CD1 TRP A 97 -5.099 -6.416 2.621 1.00 0.39 C ATOM 1516 CD2 TRP A 97 -4.299 -5.199 0.906 1.00 0.41 C ATOM 1517 NE1 TRP A 97 -3.750 -6.175 2.814 1.00 0.40 N ATOM 1518 CE2 TRP A 97 -3.211 -5.429 1.783 1.00 0.41 C ATOM 1519 CE3 TRP A 97 -4.061 -4.453 -0.262 1.00 0.45 C ATOM 1520 CZ2 TRP A 97 -1.935 -4.934 1.512 1.00 0.45 C ATOM 1521 CZ3 TRP A 97 -2.778 -3.953 -0.538 1.00 0.49 C ATOM 1522 CH2 TRP A 97 -1.717 -4.194 0.347 1.00 0.49 C ATOM 0 H TRP A 97 -6.328 -8.267 1.169 1.00 0.32 H new ATOM 0 HA TRP A 97 -7.808 -6.414 2.759 1.00 0.39 H new ATOM 0 HB2 TRP A 97 -6.855 -6.210 -0.131 1.00 0.41 H new ATOM 0 HB3 TRP A 97 -7.306 -4.873 0.908 1.00 0.41 H new ATOM 0 HD1 TRP A 97 -5.739 -6.975 3.288 1.00 0.39 H new ATOM 0 HE1 TRP A 97 -3.219 -6.507 3.619 1.00 0.40 H new ATOM 0 HE3 TRP A 97 -4.870 -4.263 -0.951 1.00 0.45 H new ATOM 0 HZ2 TRP A 97 -1.122 -5.121 2.198 1.00 0.45 H new ATOM 0 HZ3 TRP A 97 -2.607 -3.379 -1.437 1.00 0.49 H new ATOM 0 HH2 TRP A 97 -0.732 -3.808 0.128 1.00 0.49 H new ATOM 1533 N LEU A 98 -9.202 -7.544 -0.033 1.00 0.41 N ATOM 1534 CA LEU A 98 -10.481 -7.743 -0.690 1.00 0.48 C ATOM 1535 C LEU A 98 -11.354 -8.639 0.176 1.00 0.52 C ATOM 1536 O LEU A 98 -12.565 -8.439 0.284 1.00 0.62 O ATOM 1537 CB LEU A 98 -10.265 -8.403 -2.051 1.00 0.51 C ATOM 1538 CG LEU A 98 -9.383 -7.508 -2.922 1.00 0.55 C ATOM 1539 CD1 LEU A 98 -9.158 -8.174 -4.281 1.00 0.65 C ATOM 1540 CD2 LEU A 98 -10.075 -6.160 -3.124 1.00 0.67 C ATOM 0 H LEU A 98 -8.398 -7.903 -0.548 1.00 0.41 H new ATOM 0 HA LEU A 98 -10.970 -6.779 -0.833 1.00 0.48 H new ATOM 0 HB2 LEU A 98 -9.796 -9.379 -1.923 1.00 0.51 H new ATOM 0 HB3 LEU A 98 -11.224 -8.572 -2.540 1.00 0.51 H new ATOM 0 HG LEU A 98 -8.422 -7.357 -2.431 1.00 0.55 H new ATOM 0 HD11 LEU A 98 -8.529 -7.534 -4.900 1.00 0.65 H new ATOM 0 HD12 LEU A 98 -8.667 -9.136 -4.138 1.00 0.65 H new ATOM 0 HD13 LEU A 98 -10.118 -8.327 -4.775 1.00 0.65 H new ATOM 0 HD21 LEU A 98 -9.449 -5.519 -3.745 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -11.036 -6.314 -3.615 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -10.234 -5.684 -2.156 1.00 0.67 H new ATOM 1552 N VAL A 99 -10.715 -9.624 0.802 1.00 0.52 N ATOM 1553 CA VAL A 99 -11.418 -10.552 1.675 1.00 0.62 C ATOM 1554 C VAL A 99 -11.773 -9.860 2.984 1.00 0.75 C ATOM 1555 O VAL A 99 -12.360 -10.462 3.883 1.00 1.06 O ATOM 1556 CB VAL A 99 -10.535 -11.773 1.954 1.00 0.70 C ATOM 1557 CG1 VAL A 99 -11.165 -12.639 3.045 1.00 0.88 C ATOM 1558 CG2 VAL A 99 -10.406 -12.593 0.673 1.00 0.75 C ATOM 0 H VAL A 99 -9.713 -9.798 0.719 1.00 0.52 H new ATOM 0 HA VAL A 99 -12.335 -10.880 1.185 1.00 0.62 H new ATOM 0 HB VAL A 99 -9.553 -11.439 2.288 1.00 0.70 H new ATOM 0 HG11 VAL A 99 -10.529 -13.504 3.235 1.00 0.88 H new ATOM 0 HG12 VAL A 99 -11.267 -12.055 3.960 1.00 0.88 H new ATOM 0 HG13 VAL A 99 -12.149 -12.977 2.719 1.00 0.88 H new ATOM 0 HG21 VAL A 99 -9.779 -13.465 0.861 1.00 0.75 H new ATOM 0 HG22 VAL A 99 -11.394 -12.920 0.349 1.00 0.75 H new ATOM 0 HG23 VAL A 99 -9.952 -11.981 -0.107 1.00 0.75 H new ATOM 1568 N GLN A 100 -11.412 -8.582 3.076 1.00 0.82 N ATOM 1569 CA GLN A 100 -11.696 -7.801 4.272 1.00 1.01 C ATOM 1570 C GLN A 100 -12.606 -8.585 5.208 1.00 1.56 C ATOM 1571 O GLN A 100 -13.543 -8.031 5.785 1.00 2.01 O ATOM 1572 CB GLN A 100 -12.396 -6.497 3.884 1.00 1.07 C ATOM 1573 CG GLN A 100 -11.406 -5.549 3.210 1.00 1.18 C ATOM 1574 CD GLN A 100 -11.892 -4.111 3.345 1.00 2.06 C ATOM 1575 OE1 GLN A 100 -13.043 -3.876 3.716 1.00 2.57 O ATOM 1576 NE2 GLN A 100 -11.079 -3.130 3.067 1.00 2.72 N ATOM 0 H GLN A 100 -10.925 -8.070 2.340 1.00 0.82 H new ATOM 0 HA GLN A 100 -10.754 -7.583 4.776 1.00 1.01 H new ATOM 0 HB2 GLN A 100 -13.226 -6.708 3.210 1.00 1.07 H new ATOM 0 HB3 GLN A 100 -12.818 -6.024 4.771 1.00 1.07 H new ATOM 0 HG2 GLN A 100 -10.421 -5.654 3.665 1.00 1.18 H new ATOM 0 HG3 GLN A 100 -11.299 -5.809 2.157 1.00 1.18 H new ATOM 0 HE21 GLN A 100 -10.127 -3.328 2.760 1.00 2.72 H new ATOM 0 HE22 GLN A 100 -11.395 -2.164 3.156 1.00 2.72 H new ATOM 1585 N GLN A 101 -12.335 -9.878 5.343 1.00 2.00 N ATOM 1586 CA GLN A 101 -13.149 -10.732 6.199 1.00 2.63 C ATOM 1587 C GLN A 101 -12.825 -10.508 7.669 1.00 2.99 C ATOM 1588 O GLN A 101 -11.698 -10.166 8.028 1.00 3.63 O ATOM 1589 CB GLN A 101 -12.902 -12.195 5.849 1.00 3.27 C ATOM 1590 CG GLN A 101 -13.504 -12.494 4.478 1.00 3.72 C ATOM 1591 CD GLN A 101 -13.893 -13.962 4.390 1.00 4.64 C ATOM 1592 OE1 GLN A 101 -13.205 -14.820 4.942 1.00 5.05 O ATOM 1593 NE2 GLN A 101 -14.966 -14.300 3.729 1.00 5.33 N ATOM 0 HA GLN A 101 -14.196 -10.478 6.032 1.00 2.63 H new ATOM 0 HB2 GLN A 101 -11.832 -12.404 5.843 1.00 3.27 H new ATOM 0 HB3 GLN A 101 -13.349 -12.842 6.604 1.00 3.27 H new ATOM 0 HG2 GLN A 101 -14.380 -11.867 4.311 1.00 3.72 H new ATOM 0 HG3 GLN A 101 -12.785 -12.252 3.695 1.00 3.72 H new ATOM 0 HE21 GLN A 101 -15.532 -13.583 3.274 1.00 5.33 H new ATOM 0 HE22 GLN A 101 -15.239 -15.281 3.667 1.00 5.33 H new ATOM 1602 N GLU A 102 -13.824 -10.717 8.513 1.00 3.21 N ATOM 1603 CA GLU A 102 -13.644 -10.551 9.944 1.00 4.04 C ATOM 1604 C GLU A 102 -12.290 -11.102 10.376 1.00 4.54 C ATOM 1605 O GLU A 102 -12.214 -11.972 11.245 1.00 4.94 O ATOM 1606 CB GLU A 102 -14.767 -11.283 10.685 1.00 4.70 C ATOM 1607 CG GLU A 102 -16.111 -10.677 10.279 1.00 4.87 C ATOM 1608 CD GLU A 102 -15.882 -9.441 9.411 1.00 4.76 C ATOM 1609 OE1 GLU A 102 -14.841 -8.819 9.557 1.00 4.86 O ATOM 1610 OE2 GLU A 102 -16.751 -9.138 8.613 1.00 5.03 O ATOM 0 H GLU A 102 -14.763 -11.000 8.232 1.00 3.21 H new ATOM 0 HA GLU A 102 -13.679 -9.489 10.187 1.00 4.04 H new ATOM 0 HB2 GLU A 102 -14.746 -12.346 10.445 1.00 4.70 H new ATOM 0 HB3 GLU A 102 -14.625 -11.197 11.762 1.00 4.70 H new ATOM 0 HG2 GLU A 102 -16.701 -11.412 9.732 1.00 4.87 H new ATOM 0 HG3 GLU A 102 -16.682 -10.408 11.168 1.00 4.87 H new ATOM 1617 N GLY A 103 -11.221 -10.603 9.762 1.00 4.97 N ATOM 1618 CA GLY A 103 -9.883 -11.077 10.102 1.00 5.82 C ATOM 1619 C GLY A 103 -9.955 -11.997 11.314 1.00 5.90 C ATOM 1620 O GLY A 103 -8.937 -12.473 11.818 1.00 5.96 O ATOM 0 H GLY A 103 -11.252 -9.884 9.039 1.00 4.97 H new ATOM 0 HA2 GLY A 103 -9.449 -11.609 9.255 1.00 5.82 H new ATOM 0 HA3 GLY A 103 -9.230 -10.230 10.315 1.00 5.82 H new ATOM 1624 N ILE A 104 -11.172 -12.240 11.775 1.00 6.26 N ATOM 1625 CA ILE A 104 -11.386 -13.102 12.922 1.00 6.66 C ATOM 1626 C ILE A 104 -10.880 -14.522 12.655 1.00 7.13 C ATOM 1627 O ILE A 104 -10.735 -14.940 11.503 1.00 7.46 O ATOM 1628 CB ILE A 104 -12.877 -13.144 13.247 1.00 7.19 C ATOM 1629 CG1 ILE A 104 -13.258 -11.874 14.008 1.00 7.54 C ATOM 1630 CG2 ILE A 104 -13.180 -14.382 14.096 1.00 7.43 C ATOM 1631 CD1 ILE A 104 -12.077 -10.902 13.990 1.00 8.34 C ATOM 0 HA ILE A 104 -10.827 -12.697 13.766 1.00 6.66 H new ATOM 0 HB ILE A 104 -13.458 -13.199 12.326 1.00 7.19 H new ATOM 0 HG12 ILE A 104 -14.132 -11.411 13.551 1.00 7.54 H new ATOM 0 HG13 ILE A 104 -13.527 -12.119 15.036 1.00 7.54 H new ATOM 0 HG21 ILE A 104 -14.245 -14.412 14.328 1.00 7.43 H new ATOM 0 HG22 ILE A 104 -12.904 -15.279 13.542 1.00 7.43 H new ATOM 0 HG23 ILE A 104 -12.608 -14.337 15.023 1.00 7.43 H new ATOM 0 HD11 ILE A 104 -12.344 -9.995 14.532 1.00 8.34 H new ATOM 0 HD12 ILE A 104 -11.215 -11.368 14.466 1.00 8.34 H new ATOM 0 HD13 ILE A 104 -11.829 -10.649 12.959 1.00 8.34 H new ATOM 1643 N PHE A 105 -10.627 -15.254 13.740 1.00 7.48 N ATOM 1644 CA PHE A 105 -10.152 -16.635 13.651 1.00 8.21 C ATOM 1645 C PHE A 105 -11.344 -17.590 13.672 1.00 8.77 C ATOM 1646 O PHE A 105 -11.525 -18.312 12.702 1.00 8.95 O ATOM 1647 CB PHE A 105 -9.227 -16.951 14.836 1.00 8.54 C ATOM 1648 CG PHE A 105 -9.436 -15.935 15.931 1.00 8.89 C ATOM 1649 CD1 PHE A 105 -10.685 -15.810 16.554 1.00 9.13 C ATOM 1650 CD2 PHE A 105 -8.374 -15.115 16.328 1.00 9.24 C ATOM 1651 CE1 PHE A 105 -10.868 -14.865 17.576 1.00 9.75 C ATOM 1652 CE2 PHE A 105 -8.556 -14.172 17.344 1.00 9.84 C ATOM 1653 CZ PHE A 105 -9.803 -14.045 17.968 1.00 10.10 C ATOM 1654 OXT PHE A 105 -12.072 -17.576 14.652 1.00 9.23 O ATOM 0 H PHE A 105 -10.744 -14.912 14.694 1.00 7.48 H new ATOM 0 HA PHE A 105 -9.599 -16.759 12.720 1.00 8.21 H new ATOM 0 HB2 PHE A 105 -9.432 -17.953 15.213 1.00 8.54 H new ATOM 0 HB3 PHE A 105 -8.187 -16.940 14.511 1.00 8.54 H new ATOM 0 HD1 PHE A 105 -11.507 -16.441 16.248 1.00 9.13 H new ATOM 0 HD2 PHE A 105 -7.411 -15.211 15.848 1.00 9.24 H new ATOM 0 HE1 PHE A 105 -11.829 -14.771 18.059 1.00 9.75 H new ATOM 0 HE2 PHE A 105 -7.734 -13.541 17.648 1.00 9.84 H new ATOM 0 HZ PHE A 105 -9.943 -13.315 18.751 1.00 10.10 H new TER 1664 PHE A 105 END