USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 911 hydrogens (11 hets) HEADER COMPLEX (PHOSPHOTRANSFERASE/RECEPTOR) 23-JUN-97 1PIC TITLE PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C- TITLE 2 TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE TITLE 3 FROM THE PDGF RECEPTOR, NMR, MINIMIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL SH2 DOMAIN, RESIDUES 617 - 724 OF P85- COMPND 5 ALPHA REGULATORY SUBUNIT; COMPND 6 EC: 2.7.1.137; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: CONTAINS AN N-TERMINAL EXTENSION (GSPI) COMPND 9 DERIVED FROM THE RECOMBINANT EXPRESSION VECTOR; COMPND 0 MOL_ID: 2; COMPND 1 MOLECULE: BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR; COMPND 2 CHAIN: B; COMPND 3 FRAGMENT: ACETYL-PTYR-VAL-PRO-MET-LEU, RESIDUES 751 - 755; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: TYROSINE-PHOSPHORYLATED PEPTIDE COMPND 6 INCORPORATES AN N-TERMINAL ACETYL GROUP SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: W3110 (CGSC 6564); SOURCE 8 MOL_ID: 2 KEYWDS PHOSPHOTRANSFERASE, SH2 DOMAIN, SIGNAL TRANSDUCTION, KEYWDS 2 PHOSPHOINOSITIDE 3-KINASE, COMPLEX KEYWDS 3 (PHOSPHOTRANSFERASE/RECEPTOR) EXPDTA SOLUTION NMR AUTHOR A.L.BREEZE,B.V.KARA,D.G.BARRATT,M.ANDERSON,J.C.SMITH, AUTHOR 2 R.W.LUKE,J.R.BEST,S.A.CARTLIDGE REVDAT 2 24-FEB-09 1PIC 1 VERSN REVDAT 1 17-SEP-97 1PIC 0 JRNL AUTH A.L.BREEZE,B.V.KARA,D.G.BARRATT,M.ANDERSON, JRNL AUTH 2 J.C.SMITH,R.W.LUKE,J.R.BEST,S.A.CARTLIDGE JRNL TITL STRUCTURE OF A SPECIFIC PEPTIDE COMPLEX OF THE JRNL TITL 2 CARBOXY-TERMINAL SH2 DOMAIN FROM THE P85 ALPHA JRNL TITL 3 SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE. JRNL REF EMBO J. V. 15 3579 1996 JRNL REFN ISSN 0261-4189 JRNL PMID 8670861 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1PIC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 296 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 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 BY TRIPLE-RESONANCE NMR ON REMARK 210 13C,15N-LABELLED SH2 DOMAIN COMBINED WITH ISOTOPE-FILTERED 1H- REMARK 210 NMR FOR THE UNLABELLED BOUND PEPTIDE. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 17 52.08 87.68 REMARK 500 ASN A 18 57.37 -155.83 REMARK 500 ARG A 19 -71.30 -78.33 REMARK 500 ARG A 27 89.09 -57.75 REMARK 500 LYS A 29 -176.14 -57.11 REMARK 500 GLU A 38 -161.17 -125.04 REMARK 500 SER A 39 -157.48 -177.57 REMARK 500 LYS A 41 -178.33 -52.88 REMARK 500 CYS A 44 -166.76 -75.45 REMARK 500 LYS A 62 -55.41 -132.90 REMARK 500 THR A 65 -29.64 -172.00 REMARK 500 ALA A 70 -26.46 166.54 REMARK 500 ASN A 74 -159.30 49.03 REMARK 500 LEU A 75 -109.86 -129.42 REMARK 500 TYR A 76 122.41 73.32 REMARK 500 SER A 77 41.54 -101.40 REMARK 500 LEU A 98 -77.68 -107.25 REMARK 500 ALA A 108 -166.92 43.20 REMARK 500 GLN A 109 45.25 174.02 REMARK 500 ARG A 111 -94.39 -111.62 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 19 0.24 SIDE_CHAIN REMARK 500 ARG A 27 0.28 SIDE_CHAIN REMARK 500 ARG A 30 0.28 SIDE_CHAIN REMARK 500 ARG A 37 0.24 SIDE_CHAIN REMARK 500 ARG A 112 0.28 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACE B 200 DBREF 1PIC A 5 112 UNP P27986 P85A_HUMAN 617 724 DBREF 1PIC B 200 205 PDB 1PIC 1PIC 200 205 SEQRES 1 A 112 GLY SER PRO ILE PRO HIS HIS ASP GLU LYS THR TRP ASN SEQRES 2 A 112 VAL GLY SER SER ASN ARG ASN LYS ALA GLU ASN LEU LEU SEQRES 3 A 112 ARG GLY LYS ARG ASP GLY THR PHE LEU VAL ARG GLU SER SEQRES 4 A 112 SER LYS GLN GLY CYS TYR ALA CYS SER VAL VAL VAL ASP SEQRES 5 A 112 GLY GLU VAL LYS HIS CYS VAL ILE ASN LYS THR ALA THR SEQRES 6 A 112 GLY TYR GLY PHE ALA GLU PRO TYR ASN LEU TYR SER SER SEQRES 7 A 112 LEU LYS GLU LEU VAL LEU HIS TYR GLN HIS THR SER LEU SEQRES 8 A 112 VAL GLN HIS ASN ASP SER LEU ASN VAL THR LEU ALA TYR SEQRES 9 A 112 PRO VAL TYR ALA GLN GLN ARG ARG SEQRES 1 B 6 ACE PTR VAL PRO MET LEU MODRES 1PIC PTR B 201 TYR O-PHOSPHOTYROSINE HET ACE B 200 6 HET PTR B 201 24 HETNAM ACE ACETYL GROUP HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 ACE C2 H4 O FORMUL 2 PTR C9 H12 N O6 P HELIX 1 1 ARG A 19 LEU A 26 1 8 HELIX 2 2 LEU A 79 HIS A 88 1 10 SHEET 1 A 3 PHE A 34 ARG A 37 0 SHEET 2 A 3 ALA A 46 VAL A 51 -1 N SER A 48 O LEU A 35 SHEET 3 A 3 GLU A 54 VAL A 59 -1 N CYS A 58 O CYS A 47 LINK C ACE B 200 N PTR B 201 1555 1555 1.31 LINK C PTR B 201 N VAL B 202 1555 1555 1.30 SITE *** AC1 2 HIS A 57 VAL B 202 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 201 PTR HN2 : B 201 PTR N : B 200 ACE C :(H bumps) USER MOD NoAdj-H: B 201 PTR H : B 201 PTR N : B 200 ACE C :(H bumps) USER MOD Set 1.1: A 90 SER OG : rot 170:sc= -0.274 USER MOD Set 1.2: A 99 ASN : amide:sc= -2.49! C(o=-2.8!,f=-6!) USER MOD Set 2.1: A 85 HIS : no HD1:sc= -0.414 K(o=-1.6,f=-0.53) USER MOD Set 2.2: A 88 HIS : no HE2:sc= -1.93 X(o=-1.6,f=-1.3) USER MOD Set 2.3: A 89 THR OG1 : rot 71:sc= 0.704 USER MOD Set 3.1: A 74 ASN : amide:sc= -2.54! C(o=-3.6!,f=-11!) USER MOD Set 3.2: A 76 TYR OH : rot 54:sc= -1.11! USER MOD Set 4.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 65 THR OG1 : rot -21:sc= 0.0859! USER MOD Set 5.1: A 58 CYS SG : rot 70:sc= -1.32 USER MOD Set 5.2: B 204 MET CE :methyl -153:sc= -5.17! (180deg=-4.93!) USER MOD Set 6.1: A 48 SER OG : rot -58:sc= -2.7! USER MOD Set 6.2: A 57 HIS : no HD1:sc= -1.45 K(o=-4.1,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -3.01 X(o=-3,f=-3.3!) USER MOD Single : A 7 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.097) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 169:sc= -0.712! USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -87:sc=-0.000497! USER MOD Single : A 18 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.3!) USER MOD Single : A 20 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.48!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -69:sc= 0.579 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.263) USER MOD Single : A 42 GLN : amide:sc= -0.0864 X(o=-0.086,f=-0.00043) USER MOD Single : A 44 CYS SG : rot 114:sc= -6.97! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 2:sc= -0.611 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -3.25! K(o=-3.2!,f=-2.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -59:sc= 1.23 USER MOD Single : A 78 SER OG : rot 10:sc= 0.58 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 122:sc= 0.606 USER MOD Single : A 87 GLN : amide:sc= -2.82 K(o=-2.8,f=-8.7!) USER MOD Single : A 93 GLN : amide:sc= -0.948 K(o=-0.95,f=-4.5!) USER MOD Single : A 94 HIS : no HD1:sc= -3.37! X(o=-3.4!,f=-3.2) USER MOD Single : A 95 ASN : amide:sc= -0.861 K(o=-0.86,f=-0.02) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 109 GLN : amide:sc= -0.0168 K(o=-0.017,f=0.6) USER MOD Single : A 110 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.069 -35.713 -2.388 1.00 3.99 N ATOM 2 CA GLY A 1 -5.705 -34.792 -3.503 1.00 3.36 C ATOM 3 C GLY A 1 -5.675 -33.353 -2.987 1.00 2.55 C ATOM 4 O GLY A 1 -6.670 -32.656 -3.004 1.00 2.89 O ATOM 0 H1 GLY A 1 -6.089 -36.692 -2.739 1.00 3.99 H new ATOM 0 H2 GLY A 1 -5.364 -35.633 -1.627 1.00 3.99 H new ATOM 0 H3 GLY A 1 -7.007 -35.458 -2.019 1.00 3.99 H new ATOM 0 HA2 GLY A 1 -4.731 -35.064 -3.910 1.00 3.36 H new ATOM 0 HA3 GLY A 1 -6.427 -34.884 -4.315 1.00 3.36 H new ATOM 10 N SER A 2 -4.540 -32.901 -2.527 1.00 1.99 N ATOM 11 CA SER A 2 -4.449 -31.507 -2.010 1.00 1.56 C ATOM 12 C SER A 2 -3.246 -30.803 -2.655 1.00 1.29 C ATOM 13 O SER A 2 -2.126 -31.252 -2.513 1.00 1.34 O ATOM 14 CB SER A 2 -4.262 -31.541 -0.493 1.00 2.07 C ATOM 15 OG SER A 2 -5.488 -31.199 0.140 1.00 2.68 O ATOM 0 H SER A 2 -3.673 -33.437 -2.487 1.00 1.99 H new ATOM 0 HA SER A 2 -5.363 -30.966 -2.254 1.00 1.56 H new ATOM 0 HB2 SER A 2 -3.941 -32.534 -0.177 1.00 2.07 H new ATOM 0 HB3 SER A 2 -3.479 -30.843 -0.196 1.00 2.07 H new ATOM 0 HG SER A 2 -5.371 -31.222 1.113 1.00 2.68 H new ATOM 21 N PRO A 3 -3.510 -29.719 -3.345 1.00 1.19 N ATOM 22 CA PRO A 3 -2.458 -28.938 -4.020 1.00 1.09 C ATOM 23 C PRO A 3 -1.707 -28.068 -3.008 1.00 0.94 C ATOM 24 O PRO A 3 -2.133 -26.981 -2.672 1.00 0.99 O ATOM 25 CB PRO A 3 -3.235 -28.072 -5.015 1.00 1.32 C ATOM 26 CG PRO A 3 -4.683 -27.981 -4.476 1.00 1.48 C ATOM 27 CD PRO A 3 -4.871 -29.172 -3.518 1.00 1.40 C ATOM 0 HA PRO A 3 -1.705 -29.560 -4.503 1.00 1.09 H new ATOM 0 HB2 PRO A 3 -2.789 -27.081 -5.099 1.00 1.32 H new ATOM 0 HB3 PRO A 3 -3.218 -28.514 -6.011 1.00 1.32 H new ATOM 0 HG2 PRO A 3 -4.844 -27.037 -3.956 1.00 1.48 H new ATOM 0 HG3 PRO A 3 -5.404 -28.023 -5.293 1.00 1.48 H new ATOM 0 HD2 PRO A 3 -5.296 -28.854 -2.566 1.00 1.40 H new ATOM 0 HD3 PRO A 3 -5.549 -29.916 -3.937 1.00 1.40 H new ATOM 35 N ILE A 4 -0.593 -28.540 -2.519 1.00 0.82 N ATOM 36 CA ILE A 4 0.184 -27.746 -1.531 1.00 0.70 C ATOM 37 C ILE A 4 0.739 -26.488 -2.207 1.00 0.64 C ATOM 38 O ILE A 4 1.078 -26.512 -3.374 1.00 0.68 O ATOM 39 CB ILE A 4 1.342 -28.594 -1.006 1.00 0.72 C ATOM 40 CG1 ILE A 4 1.970 -29.375 -2.163 1.00 0.82 C ATOM 41 CG2 ILE A 4 0.823 -29.574 0.047 1.00 0.90 C ATOM 42 CD1 ILE A 4 3.392 -29.793 -1.785 1.00 0.86 C ATOM 0 H ILE A 4 -0.188 -29.444 -2.763 1.00 0.82 H new ATOM 0 HA ILE A 4 -0.464 -27.455 -0.704 1.00 0.70 H new ATOM 0 HB ILE A 4 2.092 -27.943 -0.557 1.00 0.72 H new ATOM 0 HG12 ILE A 4 1.369 -30.256 -2.390 1.00 0.82 H new ATOM 0 HG13 ILE A 4 1.987 -28.761 -3.063 1.00 0.82 H new ATOM 0 HG21 ILE A 4 1.650 -30.178 0.421 1.00 0.90 H new ATOM 0 HG22 ILE A 4 0.377 -29.019 0.872 1.00 0.90 H new ATOM 0 HG23 ILE A 4 0.071 -30.225 -0.400 1.00 0.90 H new ATOM 0 HD11 ILE A 4 3.839 -30.349 -2.609 1.00 0.86 H new ATOM 0 HD12 ILE A 4 3.990 -28.905 -1.580 1.00 0.86 H new ATOM 0 HD13 ILE A 4 3.362 -30.423 -0.896 1.00 0.86 H new ATOM 54 N PRO A 5 0.817 -25.423 -1.448 1.00 0.59 N ATOM 55 CA PRO A 5 1.330 -24.133 -1.941 1.00 0.59 C ATOM 56 C PRO A 5 2.860 -24.157 -1.997 1.00 0.49 C ATOM 57 O PRO A 5 3.481 -23.335 -2.641 1.00 0.54 O ATOM 58 CB PRO A 5 0.835 -23.128 -0.897 1.00 0.63 C ATOM 59 CG PRO A 5 0.571 -23.937 0.396 1.00 0.62 C ATOM 60 CD PRO A 5 0.401 -25.407 -0.031 1.00 0.61 C ATOM 0 HA PRO A 5 0.993 -23.891 -2.949 1.00 0.59 H new ATOM 0 HB2 PRO A 5 1.578 -22.350 -0.724 1.00 0.63 H new ATOM 0 HB3 PRO A 5 -0.074 -22.631 -1.237 1.00 0.63 H new ATOM 0 HG2 PRO A 5 1.400 -23.830 1.096 1.00 0.62 H new ATOM 0 HG3 PRO A 5 -0.323 -23.575 0.904 1.00 0.62 H new ATOM 0 HD2 PRO A 5 1.019 -26.071 0.573 1.00 0.61 H new ATOM 0 HD3 PRO A 5 -0.631 -25.739 0.085 1.00 0.61 H new ATOM 68 N HIS A 6 3.468 -25.095 -1.326 1.00 0.41 N ATOM 69 CA HIS A 6 4.952 -25.181 -1.336 1.00 0.35 C ATOM 70 C HIS A 6 5.431 -25.535 -2.742 1.00 0.37 C ATOM 71 O HIS A 6 6.475 -25.098 -3.184 1.00 0.36 O ATOM 72 CB HIS A 6 5.391 -26.274 -0.366 1.00 0.35 C ATOM 73 CG HIS A 6 5.454 -25.721 1.032 1.00 0.47 C ATOM 74 ND1 HIS A 6 4.781 -24.567 1.402 1.00 0.59 N ATOM 75 CD2 HIS A 6 6.099 -26.158 2.162 1.00 1.12 C ATOM 76 CE1 HIS A 6 5.033 -24.351 2.707 1.00 0.58 C ATOM 77 NE2 HIS A 6 5.832 -25.292 3.218 1.00 1.02 N ATOM 0 H HIS A 6 2.997 -25.808 -0.769 1.00 0.41 H new ATOM 0 HA HIS A 6 5.379 -24.224 -1.037 1.00 0.35 H new ATOM 0 HB2 HIS A 6 4.692 -27.110 -0.405 1.00 0.35 H new ATOM 0 HB3 HIS A 6 6.367 -26.661 -0.658 1.00 0.35 H new ATOM 0 HD2 HIS A 6 6.719 -27.040 2.222 1.00 1.12 H new ATOM 0 HE1 HIS A 6 4.638 -23.519 3.271 1.00 0.58 H new ATOM 0 HE2 HIS A 6 6.173 -25.361 4.177 1.00 1.02 H new ATOM 85 N HIS A 7 4.671 -26.329 -3.440 1.00 0.44 N ATOM 86 CA HIS A 7 5.061 -26.731 -4.822 1.00 0.50 C ATOM 87 C HIS A 7 5.644 -25.529 -5.564 1.00 0.47 C ATOM 88 O HIS A 7 6.471 -25.670 -6.443 1.00 0.51 O ATOM 89 CB HIS A 7 3.828 -27.245 -5.567 1.00 0.60 C ATOM 90 CG HIS A 7 4.254 -27.919 -6.842 1.00 0.69 C ATOM 91 ND1 HIS A 7 3.992 -29.256 -7.093 1.00 1.47 N ATOM 92 CD2 HIS A 7 4.924 -27.454 -7.946 1.00 1.16 C ATOM 93 CE1 HIS A 7 4.497 -29.548 -8.306 1.00 1.25 C ATOM 94 NE2 HIS A 7 5.077 -28.484 -8.870 1.00 0.91 N ATOM 0 H HIS A 7 3.789 -26.721 -3.111 1.00 0.44 H new ATOM 0 HA HIS A 7 5.812 -27.519 -4.772 1.00 0.50 H new ATOM 0 HB2 HIS A 7 3.277 -27.946 -4.940 1.00 0.60 H new ATOM 0 HB3 HIS A 7 3.153 -26.418 -5.789 1.00 0.60 H new ATOM 0 HD2 HIS A 7 5.279 -26.442 -8.078 1.00 1.16 H new ATOM 0 HE1 HIS A 7 4.440 -30.523 -8.767 1.00 1.25 H new ATOM 0 HE2 HIS A 7 5.533 -28.437 -9.781 1.00 0.91 H new ATOM 102 N ASP A 8 5.226 -24.348 -5.212 1.00 0.43 N ATOM 103 CA ASP A 8 5.762 -23.135 -5.890 1.00 0.42 C ATOM 104 C ASP A 8 6.986 -22.635 -5.121 1.00 0.36 C ATOM 105 O ASP A 8 7.055 -22.737 -3.912 1.00 0.41 O ATOM 106 CB ASP A 8 4.688 -22.045 -5.916 1.00 0.47 C ATOM 107 CG ASP A 8 4.971 -21.078 -7.068 1.00 0.53 C ATOM 108 OD1 ASP A 8 6.135 -20.828 -7.333 1.00 1.13 O ATOM 109 OD2 ASP A 8 4.019 -20.604 -7.665 1.00 1.29 O ATOM 0 H ASP A 8 4.535 -24.168 -4.483 1.00 0.43 H new ATOM 0 HA ASP A 8 6.046 -23.379 -6.913 1.00 0.42 H new ATOM 0 HB2 ASP A 8 3.702 -22.494 -6.037 1.00 0.47 H new ATOM 0 HB3 ASP A 8 4.678 -21.506 -4.969 1.00 0.47 H new ATOM 114 N GLU A 9 7.958 -22.103 -5.808 1.00 0.39 N ATOM 115 CA GLU A 9 9.175 -21.609 -5.106 1.00 0.36 C ATOM 116 C GLU A 9 8.939 -20.185 -4.603 1.00 0.36 C ATOM 117 O GLU A 9 9.644 -19.698 -3.744 1.00 0.70 O ATOM 118 CB GLU A 9 10.361 -21.618 -6.073 1.00 0.44 C ATOM 119 CG GLU A 9 10.282 -22.856 -6.968 1.00 1.30 C ATOM 120 CD GLU A 9 11.590 -23.006 -7.747 1.00 1.80 C ATOM 121 OE1 GLU A 9 12.526 -22.288 -7.438 1.00 2.15 O ATOM 122 OE2 GLU A 9 11.633 -23.837 -8.640 1.00 2.53 O ATOM 0 H GLU A 9 7.963 -21.989 -6.822 1.00 0.39 H new ATOM 0 HA GLU A 9 9.390 -22.259 -4.258 1.00 0.36 H new ATOM 0 HB2 GLU A 9 10.353 -20.715 -6.683 1.00 0.44 H new ATOM 0 HB3 GLU A 9 11.298 -21.618 -5.516 1.00 0.44 H new ATOM 0 HG2 GLU A 9 10.103 -23.745 -6.363 1.00 1.30 H new ATOM 0 HG3 GLU A 9 9.443 -22.766 -7.658 1.00 1.30 H new ATOM 129 N LYS A 10 7.959 -19.510 -5.134 1.00 0.35 N ATOM 130 CA LYS A 10 7.685 -18.115 -4.692 1.00 0.31 C ATOM 131 C LYS A 10 6.897 -18.123 -3.381 1.00 0.28 C ATOM 132 O LYS A 10 6.851 -17.142 -2.666 1.00 0.30 O ATOM 133 CB LYS A 10 6.864 -17.401 -5.764 1.00 0.39 C ATOM 134 CG LYS A 10 7.676 -16.236 -6.337 1.00 0.48 C ATOM 135 CD LYS A 10 7.013 -15.731 -7.620 1.00 1.17 C ATOM 136 CE LYS A 10 7.434 -14.283 -7.876 1.00 1.81 C ATOM 137 NZ LYS A 10 7.928 -14.149 -9.275 1.00 2.51 N ATOM 0 H LYS A 10 7.334 -19.865 -5.857 1.00 0.35 H new ATOM 0 HA LYS A 10 8.632 -17.597 -4.538 1.00 0.31 H new ATOM 0 HB2 LYS A 10 6.598 -18.098 -6.558 1.00 0.39 H new ATOM 0 HB3 LYS A 10 5.931 -17.033 -5.338 1.00 0.39 H new ATOM 0 HG2 LYS A 10 7.739 -15.429 -5.607 1.00 0.48 H new ATOM 0 HG3 LYS A 10 8.696 -16.558 -6.545 1.00 0.48 H new ATOM 0 HD2 LYS A 10 7.302 -16.359 -8.463 1.00 1.17 H new ATOM 0 HD3 LYS A 10 5.929 -15.795 -7.531 1.00 1.17 H new ATOM 0 HE2 LYS A 10 6.590 -13.613 -7.711 1.00 1.81 H new ATOM 0 HE3 LYS A 10 8.215 -13.991 -7.174 1.00 1.81 H new ATOM 0 HZ1 LYS A 10 8.214 -13.164 -9.449 1.00 2.51 H new ATOM 0 HZ2 LYS A 10 8.745 -14.777 -9.416 1.00 2.51 H new ATOM 0 HZ3 LYS A 10 7.170 -14.412 -9.937 1.00 2.51 H new ATOM 151 N THR A 11 6.271 -19.219 -3.066 1.00 0.28 N ATOM 152 CA THR A 11 5.478 -19.294 -1.810 1.00 0.29 C ATOM 153 C THR A 11 6.341 -18.887 -0.618 1.00 0.26 C ATOM 154 O THR A 11 5.871 -18.288 0.329 1.00 0.34 O ATOM 155 CB THR A 11 5.000 -20.729 -1.607 1.00 0.34 C ATOM 156 OG1 THR A 11 4.830 -21.357 -2.868 1.00 1.24 O ATOM 157 CG2 THR A 11 3.676 -20.731 -0.845 1.00 1.41 C ATOM 0 H THR A 11 6.274 -20.071 -3.627 1.00 0.28 H new ATOM 0 HA THR A 11 4.626 -18.618 -1.885 1.00 0.29 H new ATOM 0 HB THR A 11 5.744 -21.278 -1.029 1.00 0.34 H new ATOM 0 HG1 THR A 11 4.698 -22.319 -2.739 1.00 1.24 H new ATOM 0 HG21 THR A 11 3.339 -21.758 -0.703 1.00 1.41 H new ATOM 0 HG22 THR A 11 3.815 -20.257 0.127 1.00 1.41 H new ATOM 0 HG23 THR A 11 2.928 -20.179 -1.414 1.00 1.41 H new ATOM 165 N TRP A 12 7.595 -19.229 -0.646 1.00 0.26 N ATOM 166 CA TRP A 12 8.484 -18.886 0.500 1.00 0.25 C ATOM 167 C TRP A 12 9.744 -18.171 0.005 1.00 0.28 C ATOM 168 O TRP A 12 10.426 -17.507 0.761 1.00 0.33 O ATOM 169 CB TRP A 12 8.883 -20.176 1.215 1.00 0.22 C ATOM 170 CG TRP A 12 9.105 -21.251 0.199 1.00 0.19 C ATOM 171 CD1 TRP A 12 8.171 -22.144 -0.210 1.00 0.18 C ATOM 172 CD2 TRP A 12 10.316 -21.554 -0.551 1.00 0.21 C ATOM 173 NE1 TRP A 12 8.737 -22.981 -1.154 1.00 0.19 N ATOM 174 CE2 TRP A 12 10.057 -22.657 -1.399 1.00 0.21 C ATOM 175 CE3 TRP A 12 11.604 -20.987 -0.575 1.00 0.25 C ATOM 176 CZ2 TRP A 12 11.041 -23.178 -2.241 1.00 0.25 C ATOM 177 CZ3 TRP A 12 12.594 -21.507 -1.422 1.00 0.29 C ATOM 178 CH2 TRP A 12 12.313 -22.602 -2.253 1.00 0.28 C ATOM 0 H TRP A 12 8.045 -19.731 -1.411 1.00 0.26 H new ATOM 0 HA TRP A 12 7.952 -18.223 1.182 1.00 0.25 H new ATOM 0 HB2 TRP A 12 9.790 -20.017 1.799 1.00 0.22 H new ATOM 0 HB3 TRP A 12 8.102 -20.475 1.914 1.00 0.22 H new ATOM 0 HD1 TRP A 12 7.152 -22.194 0.143 1.00 0.18 H new ATOM 0 HE1 TRP A 12 8.240 -23.744 -1.613 1.00 0.19 H new ATOM 0 HE3 TRP A 12 11.832 -20.146 0.063 1.00 0.25 H new ATOM 0 HZ2 TRP A 12 10.820 -24.021 -2.879 1.00 0.25 H new ATOM 0 HZ3 TRP A 12 13.578 -21.062 -1.434 1.00 0.29 H new ATOM 0 HH2 TRP A 12 13.080 -22.999 -2.901 1.00 0.28 H new ATOM 189 N ASN A 13 10.066 -18.304 -1.249 1.00 0.30 N ATOM 190 CA ASN A 13 11.291 -17.633 -1.775 1.00 0.37 C ATOM 191 C ASN A 13 11.120 -16.114 -1.703 1.00 0.42 C ATOM 192 O ASN A 13 10.274 -15.542 -2.362 1.00 0.56 O ATOM 193 CB ASN A 13 11.521 -18.046 -3.230 1.00 0.47 C ATOM 194 CG ASN A 13 12.755 -17.326 -3.776 1.00 0.51 C ATOM 195 OD1 ASN A 13 12.644 -16.271 -4.368 1.00 1.30 O ATOM 196 ND2 ASN A 13 13.936 -17.854 -3.601 1.00 1.10 N ATOM 0 H ASN A 13 9.538 -18.846 -1.933 1.00 0.30 H new ATOM 0 HA ASN A 13 12.148 -17.932 -1.171 1.00 0.37 H new ATOM 0 HB2 ASN A 13 11.658 -19.125 -3.295 1.00 0.47 H new ATOM 0 HB3 ASN A 13 10.647 -17.799 -3.832 1.00 0.47 H new ATOM 0 HD21 ASN A 13 14.765 -17.381 -3.961 1.00 1.10 H new ATOM 0 HD22 ASN A 13 14.030 -18.740 -3.104 1.00 1.10 H new ATOM 203 N VAL A 14 11.924 -15.455 -0.915 1.00 0.37 N ATOM 204 CA VAL A 14 11.817 -13.972 -0.806 1.00 0.47 C ATOM 205 C VAL A 14 12.923 -13.322 -1.642 1.00 0.57 C ATOM 206 O VAL A 14 12.998 -12.115 -1.758 1.00 0.69 O ATOM 207 CB VAL A 14 11.976 -13.551 0.658 1.00 0.47 C ATOM 208 CG1 VAL A 14 13.194 -14.251 1.260 1.00 1.10 C ATOM 209 CG2 VAL A 14 12.177 -12.035 0.736 1.00 1.17 C ATOM 0 H VAL A 14 12.652 -15.880 -0.341 1.00 0.37 H new ATOM 0 HA VAL A 14 10.842 -13.651 -1.172 1.00 0.47 H new ATOM 0 HB VAL A 14 11.081 -13.830 1.213 1.00 0.47 H new ATOM 0 HG11 VAL A 14 13.308 -13.952 2.302 1.00 1.10 H new ATOM 0 HG12 VAL A 14 13.057 -15.331 1.206 1.00 1.10 H new ATOM 0 HG13 VAL A 14 14.088 -13.970 0.702 1.00 1.10 H new ATOM 0 HG21 VAL A 14 12.290 -11.736 1.778 1.00 1.17 H new ATOM 0 HG22 VAL A 14 13.072 -11.758 0.180 1.00 1.17 H new ATOM 0 HG23 VAL A 14 11.312 -11.531 0.306 1.00 1.17 H new ATOM 219 N GLY A 15 13.783 -14.113 -2.224 1.00 0.66 N ATOM 220 CA GLY A 15 14.881 -13.543 -3.048 1.00 0.87 C ATOM 221 C GLY A 15 16.059 -13.173 -2.146 1.00 0.54 C ATOM 222 O GLY A 15 16.506 -13.962 -1.336 1.00 1.02 O ATOM 0 H GLY A 15 13.771 -15.131 -2.163 1.00 0.66 H new ATOM 0 HA2 GLY A 15 15.198 -14.266 -3.800 1.00 0.87 H new ATOM 0 HA3 GLY A 15 14.528 -12.661 -3.583 1.00 0.87 H new ATOM 226 N SER A 16 16.570 -11.981 -2.280 1.00 0.63 N ATOM 227 CA SER A 16 17.720 -11.571 -1.429 1.00 1.17 C ATOM 228 C SER A 16 17.503 -10.148 -0.915 1.00 0.90 C ATOM 229 O SER A 16 16.795 -9.365 -1.516 1.00 1.80 O ATOM 230 CB SER A 16 19.007 -11.622 -2.255 1.00 2.26 C ATOM 231 OG SER A 16 19.123 -10.428 -3.016 1.00 2.81 O ATOM 0 H SER A 16 16.242 -11.276 -2.940 1.00 0.63 H new ATOM 0 HA SER A 16 17.800 -12.251 -0.581 1.00 1.17 H new ATOM 0 HB2 SER A 16 19.870 -11.734 -1.599 1.00 2.26 H new ATOM 0 HB3 SER A 16 18.995 -12.489 -2.916 1.00 2.26 H new ATOM 0 HG SER A 16 19.947 -10.456 -3.545 1.00 2.81 H new ATOM 237 N SER A 17 18.114 -9.820 0.196 1.00 0.63 N ATOM 238 CA SER A 17 17.974 -8.452 0.784 1.00 1.19 C ATOM 239 C SER A 17 16.751 -8.407 1.700 1.00 1.10 C ATOM 240 O SER A 17 15.900 -7.547 1.582 1.00 1.87 O ATOM 241 CB SER A 17 17.830 -7.408 -0.328 1.00 1.72 C ATOM 242 OG SER A 17 16.454 -7.235 -0.642 1.00 2.03 O ATOM 0 H SER A 17 18.713 -10.452 0.728 1.00 0.63 H new ATOM 0 HA SER A 17 18.868 -8.224 1.365 1.00 1.19 H new ATOM 0 HB2 SER A 17 18.263 -6.460 -0.009 1.00 1.72 H new ATOM 0 HB3 SER A 17 18.379 -7.727 -1.214 1.00 1.72 H new ATOM 0 HG SER A 17 16.185 -7.898 -1.311 1.00 2.03 H new ATOM 248 N ASN A 18 16.660 -9.325 2.622 1.00 0.64 N ATOM 249 CA ASN A 18 15.498 -9.331 3.551 1.00 0.49 C ATOM 250 C ASN A 18 15.880 -10.051 4.844 1.00 0.43 C ATOM 251 O ASN A 18 15.250 -11.011 5.240 1.00 0.43 O ATOM 252 CB ASN A 18 14.321 -10.054 2.894 1.00 0.54 C ATOM 253 CG ASN A 18 14.292 -9.731 1.400 1.00 1.08 C ATOM 254 OD1 ASN A 18 15.000 -10.338 0.621 1.00 1.75 O ATOM 255 ND2 ASN A 18 13.497 -8.792 0.963 1.00 1.84 N ATOM 0 H ASN A 18 17.340 -10.070 2.771 1.00 0.64 H new ATOM 0 HA ASN A 18 15.212 -8.304 3.778 1.00 0.49 H new ATOM 0 HB2 ASN A 18 14.413 -11.130 3.042 1.00 0.54 H new ATOM 0 HB3 ASN A 18 13.385 -9.747 3.361 1.00 0.54 H new ATOM 0 HD21 ASN A 18 13.470 -8.568 -0.032 1.00 1.84 H new ATOM 0 HD22 ASN A 18 12.902 -8.282 1.616 1.00 1.84 H new ATOM 262 N ARG A 19 16.904 -9.595 5.513 1.00 0.42 N ATOM 263 CA ARG A 19 17.307 -10.255 6.785 1.00 0.44 C ATOM 264 C ARG A 19 16.363 -9.796 7.892 1.00 0.39 C ATOM 265 O ARG A 19 15.525 -10.541 8.360 1.00 0.37 O ATOM 266 CB ARG A 19 18.743 -9.868 7.140 1.00 0.51 C ATOM 267 CG ARG A 19 19.320 -10.899 8.114 1.00 0.73 C ATOM 268 CD ARG A 19 18.915 -10.538 9.545 1.00 0.52 C ATOM 269 NE ARG A 19 19.309 -9.130 9.834 1.00 0.84 N ATOM 270 CZ ARG A 19 20.291 -8.884 10.659 1.00 1.23 C ATOM 271 NH1 ARG A 19 21.443 -9.475 10.495 1.00 1.69 N ATOM 272 NH2 ARG A 19 20.120 -8.048 11.647 1.00 2.05 N ATOM 0 H ARG A 19 17.476 -8.798 5.235 1.00 0.42 H new ATOM 0 HA ARG A 19 17.253 -11.338 6.673 1.00 0.44 H new ATOM 0 HB2 ARG A 19 19.353 -9.822 6.238 1.00 0.51 H new ATOM 0 HB3 ARG A 19 18.764 -8.875 7.589 1.00 0.51 H new ATOM 0 HG2 ARG A 19 18.956 -11.895 7.863 1.00 0.73 H new ATOM 0 HG3 ARG A 19 20.406 -10.926 8.029 1.00 0.73 H new ATOM 0 HD2 ARG A 19 17.839 -10.659 9.671 1.00 0.52 H new ATOM 0 HD3 ARG A 19 19.396 -11.214 10.252 1.00 0.52 H new ATOM 0 HE ARG A 19 18.812 -8.359 9.388 1.00 0.84 H new ATOM 0 HH11 ARG A 19 21.576 -10.128 9.723 1.00 1.69 H new ATOM 0 HH12 ARG A 19 22.211 -9.284 11.139 1.00 1.69 H new ATOM 0 HH21 ARG A 19 19.219 -7.587 11.775 1.00 2.05 H new ATOM 0 HH22 ARG A 19 20.887 -7.856 12.291 1.00 2.05 H new ATOM 286 N ASN A 20 16.483 -8.567 8.301 1.00 0.43 N ATOM 287 CA ASN A 20 15.585 -8.047 9.363 1.00 0.46 C ATOM 288 C ASN A 20 14.178 -7.899 8.786 1.00 0.40 C ATOM 289 O ASN A 20 13.203 -7.817 9.506 1.00 0.43 O ATOM 290 CB ASN A 20 16.091 -6.685 9.844 1.00 0.56 C ATOM 291 CG ASN A 20 15.478 -6.365 11.209 1.00 0.65 C ATOM 292 OD1 ASN A 20 15.248 -7.252 12.008 1.00 1.13 O ATOM 293 ND2 ASN A 20 15.203 -5.126 11.513 1.00 1.32 N ATOM 0 H ASN A 20 17.166 -7.899 7.944 1.00 0.43 H new ATOM 0 HA ASN A 20 15.569 -8.737 10.207 1.00 0.46 H new ATOM 0 HB2 ASN A 20 17.179 -6.694 9.915 1.00 0.56 H new ATOM 0 HB3 ASN A 20 15.825 -5.911 9.124 1.00 0.56 H new ATOM 0 HD21 ASN A 20 14.795 -4.902 12.421 1.00 1.32 H new ATOM 0 HD22 ASN A 20 15.396 -4.382 10.843 1.00 1.32 H new ATOM 300 N LYS A 21 14.068 -7.879 7.485 1.00 0.36 N ATOM 301 CA LYS A 21 12.731 -7.754 6.851 1.00 0.35 C ATOM 302 C LYS A 21 12.065 -9.122 6.862 1.00 0.29 C ATOM 303 O LYS A 21 10.984 -9.296 7.386 1.00 0.31 O ATOM 304 CB LYS A 21 12.888 -7.269 5.408 1.00 0.40 C ATOM 305 CG LYS A 21 12.244 -5.889 5.257 1.00 0.92 C ATOM 306 CD LYS A 21 13.155 -4.990 4.419 1.00 1.66 C ATOM 307 CE LYS A 21 12.859 -3.524 4.737 1.00 1.86 C ATOM 308 NZ LYS A 21 11.912 -2.977 3.724 1.00 2.77 N ATOM 0 H LYS A 21 14.851 -7.944 6.835 1.00 0.36 H new ATOM 0 HA LYS A 21 12.122 -7.036 7.399 1.00 0.35 H new ATOM 0 HB2 LYS A 21 13.944 -7.219 5.143 1.00 0.40 H new ATOM 0 HB3 LYS A 21 12.421 -7.976 4.723 1.00 0.40 H new ATOM 0 HG2 LYS A 21 11.268 -5.981 4.780 1.00 0.92 H new ATOM 0 HG3 LYS A 21 12.079 -5.444 6.238 1.00 0.92 H new ATOM 0 HD2 LYS A 21 14.200 -5.215 4.631 1.00 1.66 H new ATOM 0 HD3 LYS A 21 12.996 -5.182 3.358 1.00 1.66 H new ATOM 0 HE2 LYS A 21 12.431 -3.437 5.735 1.00 1.86 H new ATOM 0 HE3 LYS A 21 13.783 -2.947 4.735 1.00 1.86 H new ATOM 0 HZ1 LYS A 21 11.710 -1.980 3.940 1.00 2.77 H new ATOM 0 HZ2 LYS A 21 12.337 -3.047 2.778 1.00 2.77 H new ATOM 0 HZ3 LYS A 21 11.026 -3.522 3.747 1.00 2.77 H new ATOM 322 N ALA A 22 12.716 -10.099 6.304 1.00 0.27 N ATOM 323 CA ALA A 22 12.138 -11.467 6.301 1.00 0.28 C ATOM 324 C ALA A 22 11.924 -11.894 7.749 1.00 0.24 C ATOM 325 O ALA A 22 11.049 -12.678 8.059 1.00 0.24 O ATOM 326 CB ALA A 22 13.102 -12.435 5.613 1.00 0.35 C ATOM 0 H ALA A 22 13.625 -10.010 5.849 1.00 0.27 H new ATOM 0 HA ALA A 22 11.191 -11.476 5.761 1.00 0.28 H new ATOM 0 HB1 ALA A 22 12.673 -13.437 5.613 1.00 0.35 H new ATOM 0 HB2 ALA A 22 13.270 -12.113 4.585 1.00 0.35 H new ATOM 0 HB3 ALA A 22 14.051 -12.446 6.149 1.00 0.35 H new ATOM 332 N GLU A 23 12.713 -11.361 8.641 1.00 0.26 N ATOM 333 CA GLU A 23 12.559 -11.704 10.075 1.00 0.29 C ATOM 334 C GLU A 23 11.362 -10.937 10.621 1.00 0.28 C ATOM 335 O GLU A 23 10.615 -11.421 11.446 1.00 0.31 O ATOM 336 CB GLU A 23 13.820 -11.286 10.828 1.00 0.36 C ATOM 337 CG GLU A 23 14.078 -12.256 11.982 1.00 0.42 C ATOM 338 CD GLU A 23 15.322 -11.813 12.754 1.00 0.88 C ATOM 339 OE1 GLU A 23 16.356 -11.650 12.128 1.00 1.68 O ATOM 340 OE2 GLU A 23 15.220 -11.645 13.958 1.00 1.43 O ATOM 0 H GLU A 23 13.461 -10.699 8.433 1.00 0.26 H new ATOM 0 HA GLU A 23 12.406 -12.776 10.198 1.00 0.29 H new ATOM 0 HB2 GLU A 23 14.674 -11.277 10.150 1.00 0.36 H new ATOM 0 HB3 GLU A 23 13.707 -10.272 11.211 1.00 0.36 H new ATOM 0 HG2 GLU A 23 13.215 -12.284 12.647 1.00 0.42 H new ATOM 0 HG3 GLU A 23 14.217 -13.266 11.597 1.00 0.42 H new ATOM 347 N ASN A 24 11.181 -9.738 10.150 1.00 0.30 N ATOM 348 CA ASN A 24 10.036 -8.911 10.611 1.00 0.34 C ATOM 349 C ASN A 24 8.736 -9.527 10.095 1.00 0.32 C ATOM 350 O ASN A 24 7.679 -9.354 10.668 1.00 0.39 O ATOM 351 CB ASN A 24 10.185 -7.488 10.065 1.00 0.39 C ATOM 352 CG ASN A 24 9.355 -6.522 10.913 1.00 0.44 C ATOM 353 OD1 ASN A 24 8.421 -6.928 11.577 1.00 0.99 O ATOM 354 ND2 ASN A 24 9.656 -5.252 10.918 1.00 1.24 N ATOM 0 H ASN A 24 11.783 -9.291 9.459 1.00 0.30 H new ATOM 0 HA ASN A 24 10.017 -8.878 11.700 1.00 0.34 H new ATOM 0 HB2 ASN A 24 11.234 -7.191 10.079 1.00 0.39 H new ATOM 0 HB3 ASN A 24 9.856 -7.450 9.026 1.00 0.39 H new ATOM 0 HD21 ASN A 24 9.108 -4.600 11.479 1.00 1.24 H new ATOM 0 HD22 ASN A 24 10.440 -4.911 10.361 1.00 1.24 H new ATOM 361 N LEU A 25 8.815 -10.256 9.018 1.00 0.26 N ATOM 362 CA LEU A 25 7.599 -10.900 8.457 1.00 0.26 C ATOM 363 C LEU A 25 7.296 -12.157 9.269 1.00 0.23 C ATOM 364 O LEU A 25 6.157 -12.477 9.544 1.00 0.29 O ATOM 365 CB LEU A 25 7.854 -11.282 6.998 1.00 0.26 C ATOM 366 CG LEU A 25 6.600 -11.003 6.167 1.00 0.33 C ATOM 367 CD1 LEU A 25 6.936 -10.017 5.047 1.00 1.31 C ATOM 368 CD2 LEU A 25 6.094 -12.312 5.556 1.00 1.29 C ATOM 0 H LEU A 25 9.676 -10.434 8.500 1.00 0.26 H new ATOM 0 HA LEU A 25 6.754 -10.213 8.505 1.00 0.26 H new ATOM 0 HB2 LEU A 25 8.697 -10.714 6.605 1.00 0.26 H new ATOM 0 HB3 LEU A 25 8.121 -12.337 6.929 1.00 0.26 H new ATOM 0 HG LEU A 25 5.829 -10.575 6.807 1.00 0.33 H new ATOM 0 HD11 LEU A 25 6.042 -9.819 4.456 1.00 1.31 H new ATOM 0 HD12 LEU A 25 7.298 -9.085 5.480 1.00 1.31 H new ATOM 0 HD13 LEU A 25 7.708 -10.444 4.406 1.00 1.31 H new ATOM 0 HD21 LEU A 25 5.200 -12.115 4.963 1.00 1.29 H new ATOM 0 HD22 LEU A 25 6.867 -12.738 4.916 1.00 1.29 H new ATOM 0 HD23 LEU A 25 5.854 -13.016 6.352 1.00 1.29 H new ATOM 380 N LEU A 26 8.318 -12.868 9.658 1.00 0.19 N ATOM 381 CA LEU A 26 8.117 -14.101 10.456 1.00 0.17 C ATOM 382 C LEU A 26 7.593 -13.730 11.841 1.00 0.20 C ATOM 383 O LEU A 26 6.797 -14.434 12.427 1.00 0.22 O ATOM 384 CB LEU A 26 9.457 -14.820 10.594 1.00 0.17 C ATOM 385 CG LEU A 26 9.750 -15.617 9.321 1.00 0.14 C ATOM 386 CD1 LEU A 26 11.249 -15.906 9.234 1.00 0.18 C ATOM 387 CD2 LEU A 26 8.982 -16.939 9.353 1.00 0.19 C ATOM 0 H LEU A 26 9.291 -12.642 9.453 1.00 0.19 H new ATOM 0 HA LEU A 26 7.396 -14.751 9.961 1.00 0.17 H new ATOM 0 HB2 LEU A 26 10.252 -14.096 10.772 1.00 0.17 H new ATOM 0 HB3 LEU A 26 9.435 -15.488 11.455 1.00 0.17 H new ATOM 0 HG LEU A 26 9.437 -15.036 8.453 1.00 0.14 H new ATOM 0 HD11 LEU A 26 11.458 -16.474 8.327 1.00 0.18 H new ATOM 0 HD12 LEU A 26 11.800 -14.966 9.209 1.00 0.18 H new ATOM 0 HD13 LEU A 26 11.559 -16.485 10.104 1.00 0.18 H new ATOM 0 HD21 LEU A 26 9.193 -17.504 8.445 1.00 0.19 H new ATOM 0 HD22 LEU A 26 9.292 -17.519 10.222 1.00 0.19 H new ATOM 0 HD23 LEU A 26 7.913 -16.737 9.415 1.00 0.19 H new ATOM 399 N ARG A 27 8.039 -12.627 12.368 1.00 0.23 N ATOM 400 CA ARG A 27 7.573 -12.199 13.716 1.00 0.26 C ATOM 401 C ARG A 27 6.050 -12.063 13.705 1.00 0.26 C ATOM 402 O ARG A 27 5.512 -11.009 13.429 1.00 0.27 O ATOM 403 CB ARG A 27 8.203 -10.850 14.072 1.00 0.30 C ATOM 404 CG ARG A 27 7.959 -10.548 15.552 1.00 0.39 C ATOM 405 CD ARG A 27 8.701 -9.268 15.943 1.00 0.94 C ATOM 406 NE ARG A 27 8.395 -8.931 17.362 1.00 1.54 N ATOM 407 CZ ARG A 27 9.116 -8.046 17.994 1.00 2.03 C ATOM 408 NH1 ARG A 27 10.384 -8.271 18.209 1.00 2.54 N ATOM 409 NH2 ARG A 27 8.570 -6.937 18.410 1.00 2.73 N ATOM 0 H ARG A 27 8.709 -12.000 11.922 1.00 0.23 H new ATOM 0 HA ARG A 27 7.869 -12.942 14.456 1.00 0.26 H new ATOM 0 HB2 ARG A 27 9.273 -10.871 13.866 1.00 0.30 H new ATOM 0 HB3 ARG A 27 7.774 -10.062 13.453 1.00 0.30 H new ATOM 0 HG2 ARG A 27 6.891 -10.433 15.739 1.00 0.39 H new ATOM 0 HG3 ARG A 27 8.302 -11.381 16.165 1.00 0.39 H new ATOM 0 HD2 ARG A 27 9.775 -9.403 15.813 1.00 0.94 H new ATOM 0 HD3 ARG A 27 8.402 -8.448 15.290 1.00 0.94 H new ATOM 0 HE ARG A 27 7.621 -9.393 17.840 1.00 1.54 H new ATOM 0 HH11 ARG A 27 10.811 -9.138 17.883 1.00 2.54 H new ATOM 0 HH12 ARG A 27 10.948 -7.579 18.703 1.00 2.54 H new ATOM 0 HH21 ARG A 27 7.579 -6.762 18.241 1.00 2.73 H new ATOM 0 HH22 ARG A 27 9.134 -6.245 18.904 1.00 2.73 H new ATOM 423 N GLY A 28 5.350 -13.123 14.000 1.00 0.27 N ATOM 424 CA GLY A 28 3.861 -13.058 14.005 1.00 0.29 C ATOM 425 C GLY A 28 3.296 -14.372 13.470 1.00 0.29 C ATOM 426 O GLY A 28 2.297 -14.872 13.947 1.00 0.33 O ATOM 0 H GLY A 28 5.745 -14.033 14.238 1.00 0.27 H new ATOM 0 HA2 GLY A 28 3.497 -12.877 15.016 1.00 0.29 H new ATOM 0 HA3 GLY A 28 3.520 -12.225 13.390 1.00 0.29 H new ATOM 430 N LYS A 29 3.932 -14.936 12.485 1.00 0.26 N ATOM 431 CA LYS A 29 3.446 -16.217 11.916 1.00 0.28 C ATOM 432 C LYS A 29 3.370 -17.269 13.024 1.00 0.27 C ATOM 433 O LYS A 29 3.610 -16.984 14.181 1.00 0.28 O ATOM 434 CB LYS A 29 4.421 -16.678 10.835 1.00 0.30 C ATOM 435 CG LYS A 29 4.405 -15.682 9.674 1.00 0.63 C ATOM 436 CD LYS A 29 2.960 -15.412 9.252 1.00 0.86 C ATOM 437 CE LYS A 29 2.946 -14.726 7.884 1.00 1.12 C ATOM 438 NZ LYS A 29 1.563 -14.266 7.574 1.00 1.71 N ATOM 0 H LYS A 29 4.774 -14.561 12.048 1.00 0.26 H new ATOM 0 HA LYS A 29 2.455 -16.081 11.483 1.00 0.28 H new ATOM 0 HB2 LYS A 29 5.427 -16.756 11.247 1.00 0.30 H new ATOM 0 HB3 LYS A 29 4.144 -17.671 10.480 1.00 0.30 H new ATOM 0 HG2 LYS A 29 4.887 -14.751 9.973 1.00 0.63 H new ATOM 0 HG3 LYS A 29 4.972 -16.079 8.832 1.00 0.63 H new ATOM 0 HD2 LYS A 29 2.403 -16.348 9.207 1.00 0.86 H new ATOM 0 HD3 LYS A 29 2.466 -14.782 9.991 1.00 0.86 H new ATOM 0 HE2 LYS A 29 3.632 -13.879 7.883 1.00 1.12 H new ATOM 0 HE3 LYS A 29 3.292 -15.417 7.115 1.00 1.12 H new ATOM 0 HZ1 LYS A 29 1.552 -13.800 6.644 1.00 1.71 H new ATOM 0 HZ2 LYS A 29 0.920 -15.084 7.558 1.00 1.71 H new ATOM 0 HZ3 LYS A 29 1.249 -13.593 8.302 1.00 1.71 H new ATOM 452 N ARG A 30 3.033 -18.482 12.683 1.00 0.26 N ATOM 453 CA ARG A 30 2.939 -19.546 13.721 1.00 0.27 C ATOM 454 C ARG A 30 4.205 -20.406 13.697 1.00 0.23 C ATOM 455 O ARG A 30 4.918 -20.459 12.712 1.00 0.28 O ATOM 456 CB ARG A 30 1.719 -20.425 13.440 1.00 0.33 C ATOM 457 CG ARG A 30 0.598 -19.565 12.851 1.00 0.79 C ATOM 458 CD ARG A 30 -0.606 -20.450 12.522 1.00 1.18 C ATOM 459 NE ARG A 30 -1.535 -19.708 11.624 1.00 1.60 N ATOM 460 CZ ARG A 30 -2.821 -19.742 11.846 1.00 2.31 C ATOM 461 NH1 ARG A 30 -3.308 -19.227 12.941 1.00 2.97 N ATOM 462 NH2 ARG A 30 -3.620 -20.292 10.972 1.00 2.98 N ATOM 0 H ARG A 30 2.819 -18.782 11.732 1.00 0.26 H new ATOM 0 HA ARG A 30 2.837 -19.084 14.703 1.00 0.27 H new ATOM 0 HB2 ARG A 30 1.984 -21.222 12.746 1.00 0.33 H new ATOM 0 HB3 ARG A 30 1.381 -20.902 14.360 1.00 0.33 H new ATOM 0 HG2 ARG A 30 0.309 -18.789 13.560 1.00 0.79 H new ATOM 0 HG3 ARG A 30 0.948 -19.060 11.951 1.00 0.79 H new ATOM 0 HD2 ARG A 30 -0.274 -21.370 12.040 1.00 1.18 H new ATOM 0 HD3 ARG A 30 -1.121 -20.738 13.439 1.00 1.18 H new ATOM 0 HE ARG A 30 -1.167 -19.174 10.837 1.00 1.60 H new ATOM 0 HH11 ARG A 30 -2.684 -18.798 13.624 1.00 2.97 H new ATOM 0 HH12 ARG A 30 -4.313 -19.254 13.114 1.00 2.97 H new ATOM 0 HH21 ARG A 30 -3.239 -20.695 10.116 1.00 2.98 H new ATOM 0 HH22 ARG A 30 -4.625 -20.319 11.145 1.00 2.98 H new ATOM 476 N ASP A 31 4.489 -21.085 14.776 1.00 0.22 N ATOM 477 CA ASP A 31 5.705 -21.944 14.818 1.00 0.21 C ATOM 478 C ASP A 31 5.706 -22.875 13.606 1.00 0.19 C ATOM 479 O ASP A 31 4.717 -23.509 13.297 1.00 0.29 O ATOM 480 CB ASP A 31 5.700 -22.776 16.102 1.00 0.24 C ATOM 481 CG ASP A 31 7.054 -23.469 16.267 1.00 0.33 C ATOM 482 OD1 ASP A 31 7.917 -23.243 15.435 1.00 1.20 O ATOM 483 OD2 ASP A 31 7.205 -24.212 17.222 1.00 1.09 O ATOM 0 H ASP A 31 3.931 -21.081 15.630 1.00 0.22 H new ATOM 0 HA ASP A 31 6.596 -21.317 14.798 1.00 0.21 H new ATOM 0 HB2 ASP A 31 5.500 -22.136 16.962 1.00 0.24 H new ATOM 0 HB3 ASP A 31 4.902 -23.518 16.064 1.00 0.24 H new ATOM 488 N GLY A 32 6.808 -22.962 12.914 1.00 0.14 N ATOM 489 CA GLY A 32 6.866 -23.853 11.722 1.00 0.15 C ATOM 490 C GLY A 32 6.953 -23.005 10.452 1.00 0.15 C ATOM 491 O GLY A 32 7.106 -23.522 9.361 1.00 0.18 O ATOM 0 H GLY A 32 7.669 -22.456 13.122 1.00 0.14 H new ATOM 0 HA2 GLY A 32 7.731 -24.513 11.791 1.00 0.15 H new ATOM 0 HA3 GLY A 32 5.981 -24.489 11.687 1.00 0.15 H new ATOM 495 N THR A 33 6.863 -21.705 10.582 1.00 0.14 N ATOM 496 CA THR A 33 6.949 -20.833 9.376 1.00 0.14 C ATOM 497 C THR A 33 8.382 -20.850 8.857 1.00 0.17 C ATOM 498 O THR A 33 9.309 -21.144 9.584 1.00 0.37 O ATOM 499 CB THR A 33 6.567 -19.393 9.734 1.00 0.15 C ATOM 500 OG1 THR A 33 6.343 -19.287 11.133 1.00 0.15 O ATOM 501 CG2 THR A 33 5.299 -18.998 8.975 1.00 0.18 C ATOM 0 H THR A 33 6.734 -21.214 11.467 1.00 0.14 H new ATOM 0 HA THR A 33 6.263 -21.205 8.615 1.00 0.14 H new ATOM 0 HB THR A 33 7.380 -18.724 9.453 1.00 0.15 H new ATOM 0 HG1 THR A 33 5.523 -19.768 11.370 1.00 0.15 H new ATOM 0 HG21 THR A 33 5.027 -17.974 9.229 1.00 0.18 H new ATOM 0 HG22 THR A 33 5.480 -19.070 7.902 1.00 0.18 H new ATOM 0 HG23 THR A 33 4.486 -19.669 9.252 1.00 0.18 H new ATOM 509 N PHE A 34 8.582 -20.540 7.609 1.00 0.14 N ATOM 510 CA PHE A 34 9.969 -20.544 7.078 1.00 0.14 C ATOM 511 C PHE A 34 10.044 -19.716 5.791 1.00 0.13 C ATOM 512 O PHE A 34 9.103 -19.646 5.027 1.00 0.14 O ATOM 513 CB PHE A 34 10.401 -21.987 6.796 1.00 0.15 C ATOM 514 CG PHE A 34 9.824 -22.452 5.479 1.00 0.14 C ATOM 515 CD1 PHE A 34 8.491 -22.871 5.404 1.00 0.14 C ATOM 516 CD2 PHE A 34 10.626 -22.460 4.333 1.00 0.16 C ATOM 517 CE1 PHE A 34 7.962 -23.299 4.180 1.00 0.16 C ATOM 518 CE2 PHE A 34 10.097 -22.887 3.110 1.00 0.18 C ATOM 519 CZ PHE A 34 8.764 -23.307 3.034 1.00 0.18 C ATOM 0 H PHE A 34 7.854 -20.287 6.941 1.00 0.14 H new ATOM 0 HA PHE A 34 10.638 -20.102 7.817 1.00 0.14 H new ATOM 0 HB2 PHE A 34 11.489 -22.051 6.768 1.00 0.15 H new ATOM 0 HB3 PHE A 34 10.064 -22.640 7.601 1.00 0.15 H new ATOM 0 HD1 PHE A 34 7.871 -22.864 6.288 1.00 0.14 H new ATOM 0 HD2 PHE A 34 11.655 -22.136 4.392 1.00 0.16 H new ATOM 0 HE1 PHE A 34 6.934 -23.623 4.121 1.00 0.16 H new ATOM 0 HE2 PHE A 34 10.717 -22.892 2.225 1.00 0.18 H new ATOM 0 HZ PHE A 34 8.355 -23.637 2.091 1.00 0.18 H new ATOM 529 N LEU A 35 11.168 -19.108 5.542 1.00 0.14 N ATOM 530 CA LEU A 35 11.329 -18.303 4.298 1.00 0.14 C ATOM 531 C LEU A 35 12.768 -18.457 3.806 1.00 0.15 C ATOM 532 O LEU A 35 13.689 -18.565 4.589 1.00 0.22 O ATOM 533 CB LEU A 35 11.029 -16.828 4.581 1.00 0.16 C ATOM 534 CG LEU A 35 12.054 -16.267 5.563 1.00 0.20 C ATOM 535 CD1 LEU A 35 13.263 -15.731 4.793 1.00 0.51 C ATOM 536 CD2 LEU A 35 11.415 -15.127 6.362 1.00 0.63 C ATOM 0 H LEU A 35 11.987 -19.133 6.149 1.00 0.14 H new ATOM 0 HA LEU A 35 10.633 -18.655 3.536 1.00 0.14 H new ATOM 0 HB2 LEU A 35 11.053 -16.258 3.652 1.00 0.16 H new ATOM 0 HB3 LEU A 35 10.025 -16.725 4.992 1.00 0.16 H new ATOM 0 HG LEU A 35 12.378 -17.056 6.241 1.00 0.20 H new ATOM 0 HD11 LEU A 35 13.994 -15.331 5.496 1.00 0.51 H new ATOM 0 HD12 LEU A 35 13.716 -16.539 4.219 1.00 0.51 H new ATOM 0 HD13 LEU A 35 12.941 -14.941 4.115 1.00 0.51 H new ATOM 0 HD21 LEU A 35 12.143 -14.723 7.065 1.00 0.63 H new ATOM 0 HD22 LEU A 35 11.094 -14.340 5.680 1.00 0.63 H new ATOM 0 HD23 LEU A 35 10.553 -15.506 6.911 1.00 0.63 H new ATOM 548 N VAL A 36 12.973 -18.490 2.519 1.00 0.15 N ATOM 549 CA VAL A 36 14.360 -18.660 2.000 1.00 0.17 C ATOM 550 C VAL A 36 14.840 -17.360 1.350 1.00 0.19 C ATOM 551 O VAL A 36 14.280 -16.895 0.380 1.00 0.25 O ATOM 552 CB VAL A 36 14.375 -19.787 0.964 1.00 0.19 C ATOM 553 CG1 VAL A 36 15.811 -20.248 0.724 1.00 0.25 C ATOM 554 CG2 VAL A 36 13.551 -20.965 1.480 1.00 0.21 C ATOM 0 H VAL A 36 12.246 -18.407 1.808 1.00 0.15 H new ATOM 0 HA VAL A 36 15.026 -18.909 2.826 1.00 0.17 H new ATOM 0 HB VAL A 36 13.949 -19.420 0.030 1.00 0.19 H new ATOM 0 HG11 VAL A 36 15.817 -21.050 -0.014 1.00 0.25 H new ATOM 0 HG12 VAL A 36 16.405 -19.412 0.356 1.00 0.25 H new ATOM 0 HG13 VAL A 36 16.237 -20.612 1.659 1.00 0.25 H new ATOM 0 HG21 VAL A 36 13.562 -21.767 0.742 1.00 0.21 H new ATOM 0 HG22 VAL A 36 13.979 -21.326 2.415 1.00 0.21 H new ATOM 0 HG23 VAL A 36 12.524 -20.643 1.651 1.00 0.21 H new ATOM 564 N ARG A 37 15.882 -16.778 1.877 1.00 0.26 N ATOM 565 CA ARG A 37 16.411 -15.514 1.292 1.00 0.30 C ATOM 566 C ARG A 37 17.891 -15.691 0.956 1.00 0.26 C ATOM 567 O ARG A 37 18.446 -16.764 1.091 1.00 0.29 O ATOM 568 CB ARG A 37 16.264 -14.375 2.304 1.00 0.39 C ATOM 569 CG ARG A 37 16.696 -14.863 3.689 1.00 0.42 C ATOM 570 CD ARG A 37 17.663 -13.852 4.307 1.00 0.70 C ATOM 571 NE ARG A 37 18.409 -14.498 5.423 1.00 0.65 N ATOM 572 CZ ARG A 37 19.601 -14.075 5.742 1.00 0.62 C ATOM 573 NH1 ARG A 37 20.517 -13.950 4.821 1.00 1.32 N ATOM 574 NH2 ARG A 37 19.878 -13.778 6.983 1.00 1.28 N ATOM 0 H ARG A 37 16.391 -17.125 2.690 1.00 0.26 H new ATOM 0 HA ARG A 37 15.850 -15.275 0.388 1.00 0.30 H new ATOM 0 HB2 ARG A 37 16.873 -13.524 2.000 1.00 0.39 H new ATOM 0 HB3 ARG A 37 15.230 -14.032 2.334 1.00 0.39 H new ATOM 0 HG2 ARG A 37 15.824 -14.987 4.331 1.00 0.42 H new ATOM 0 HG3 ARG A 37 17.175 -15.839 3.609 1.00 0.42 H new ATOM 0 HD2 ARG A 37 18.360 -13.490 3.551 1.00 0.70 H new ATOM 0 HD3 ARG A 37 17.114 -12.986 4.676 1.00 0.70 H new ATOM 0 HE ARG A 37 17.988 -15.271 5.938 1.00 0.65 H new ATOM 0 HH11 ARG A 37 20.301 -14.183 3.852 1.00 1.32 H new ATOM 0 HH12 ARG A 37 21.449 -13.619 5.070 1.00 1.32 H new ATOM 0 HH21 ARG A 37 19.162 -13.877 7.703 1.00 1.28 H new ATOM 0 HH22 ARG A 37 20.810 -13.447 7.232 1.00 1.28 H new ATOM 588 N GLU A 38 18.536 -14.644 0.525 1.00 0.35 N ATOM 589 CA GLU A 38 19.984 -14.745 0.187 1.00 0.38 C ATOM 590 C GLU A 38 20.762 -13.691 0.977 1.00 0.38 C ATOM 591 O GLU A 38 20.288 -13.167 1.965 1.00 0.44 O ATOM 592 CB GLU A 38 20.180 -14.504 -1.311 1.00 0.50 C ATOM 593 CG GLU A 38 20.697 -15.784 -1.971 1.00 1.00 C ATOM 594 CD GLU A 38 21.077 -15.491 -3.424 1.00 1.15 C ATOM 595 OE1 GLU A 38 20.186 -15.182 -4.198 1.00 1.68 O ATOM 596 OE2 GLU A 38 22.253 -15.582 -3.738 1.00 1.51 O ATOM 0 H GLU A 38 18.123 -13.721 0.392 1.00 0.35 H new ATOM 0 HA GLU A 38 20.348 -15.740 0.444 1.00 0.38 H new ATOM 0 HB2 GLU A 38 19.238 -14.202 -1.768 1.00 0.50 H new ATOM 0 HB3 GLU A 38 20.887 -13.689 -1.470 1.00 0.50 H new ATOM 0 HG2 GLU A 38 21.562 -16.163 -1.427 1.00 1.00 H new ATOM 0 HG3 GLU A 38 19.932 -16.560 -1.933 1.00 1.00 H new ATOM 603 N SER A 39 21.952 -13.376 0.547 1.00 0.46 N ATOM 604 CA SER A 39 22.759 -12.354 1.272 1.00 0.59 C ATOM 605 C SER A 39 24.081 -12.126 0.534 1.00 0.64 C ATOM 606 O SER A 39 24.198 -12.392 -0.645 1.00 1.03 O ATOM 607 CB SER A 39 23.047 -12.843 2.693 1.00 0.69 C ATOM 608 OG SER A 39 23.191 -11.721 3.554 1.00 0.85 O ATOM 0 H SER A 39 22.401 -13.781 -0.274 1.00 0.46 H new ATOM 0 HA SER A 39 22.202 -11.418 1.315 1.00 0.59 H new ATOM 0 HB2 SER A 39 22.236 -13.482 3.042 1.00 0.69 H new ATOM 0 HB3 SER A 39 23.955 -13.445 2.706 1.00 0.69 H new ATOM 0 HG SER A 39 23.374 -12.030 4.466 1.00 0.85 H new ATOM 614 N SER A 40 25.077 -11.635 1.220 1.00 0.63 N ATOM 615 CA SER A 40 26.390 -11.389 0.558 1.00 0.68 C ATOM 616 C SER A 40 27.175 -12.700 0.474 1.00 0.64 C ATOM 617 O SER A 40 28.326 -12.720 0.088 1.00 0.79 O ATOM 618 CB SER A 40 27.188 -10.370 1.372 1.00 0.81 C ATOM 619 OG SER A 40 27.194 -9.124 0.689 1.00 1.56 O ATOM 0 H SER A 40 25.038 -11.394 2.210 1.00 0.63 H new ATOM 0 HA SER A 40 26.222 -11.002 -0.447 1.00 0.68 H new ATOM 0 HB2 SER A 40 26.747 -10.253 2.362 1.00 0.81 H new ATOM 0 HB3 SER A 40 28.209 -10.723 1.517 1.00 0.81 H new ATOM 0 HG SER A 40 27.703 -8.468 1.209 1.00 1.56 H new ATOM 625 N LYS A 41 26.561 -13.796 0.830 1.00 0.56 N ATOM 626 CA LYS A 41 27.268 -15.099 0.769 1.00 0.63 C ATOM 627 C LYS A 41 27.862 -15.296 -0.627 1.00 0.82 C ATOM 628 O LYS A 41 27.749 -14.446 -1.487 1.00 0.90 O ATOM 629 CB LYS A 41 26.270 -16.218 1.060 1.00 0.59 C ATOM 630 CG LYS A 41 25.672 -16.023 2.454 1.00 0.66 C ATOM 631 CD LYS A 41 24.628 -17.110 2.716 1.00 0.67 C ATOM 632 CE LYS A 41 23.663 -16.642 3.806 1.00 0.59 C ATOM 633 NZ LYS A 41 24.419 -16.391 5.065 1.00 0.74 N ATOM 0 H LYS A 41 25.597 -13.841 1.161 1.00 0.56 H new ATOM 0 HA LYS A 41 28.071 -15.117 1.506 1.00 0.63 H new ATOM 0 HB2 LYS A 41 25.479 -16.217 0.310 1.00 0.59 H new ATOM 0 HB3 LYS A 41 26.766 -17.187 0.998 1.00 0.59 H new ATOM 0 HG2 LYS A 41 26.458 -16.069 3.208 1.00 0.66 H new ATOM 0 HG3 LYS A 41 25.214 -15.037 2.530 1.00 0.66 H new ATOM 0 HD2 LYS A 41 24.079 -17.330 1.800 1.00 0.67 H new ATOM 0 HD3 LYS A 41 25.119 -18.034 3.023 1.00 0.67 H new ATOM 0 HE2 LYS A 41 23.152 -15.733 3.489 1.00 0.59 H new ATOM 0 HE3 LYS A 41 22.895 -17.397 3.975 1.00 0.59 H new ATOM 0 HZ1 LYS A 41 23.880 -16.762 5.873 1.00 0.74 H new ATOM 0 HZ2 LYS A 41 25.342 -16.867 5.016 1.00 0.74 H new ATOM 0 HZ3 LYS A 41 24.563 -15.368 5.185 1.00 0.74 H new ATOM 647 N GLN A 42 28.492 -16.415 -0.858 1.00 0.96 N ATOM 648 CA GLN A 42 29.090 -16.673 -2.197 1.00 1.19 C ATOM 649 C GLN A 42 28.056 -17.369 -3.088 1.00 1.16 C ATOM 650 O GLN A 42 28.364 -17.855 -4.158 1.00 1.84 O ATOM 651 CB GLN A 42 30.319 -17.570 -2.035 1.00 1.34 C ATOM 652 CG GLN A 42 30.794 -18.036 -3.410 1.00 2.01 C ATOM 653 CD GLN A 42 32.323 -18.024 -3.455 1.00 2.38 C ATOM 654 OE1 GLN A 42 32.945 -19.048 -3.657 1.00 2.78 O ATOM 655 NE2 GLN A 42 32.959 -16.898 -3.275 1.00 2.84 N ATOM 0 H GLN A 42 28.618 -17.163 -0.176 1.00 0.96 H new ATOM 0 HA GLN A 42 29.387 -15.731 -2.657 1.00 1.19 H new ATOM 0 HB2 GLN A 42 31.116 -17.025 -1.529 1.00 1.34 H new ATOM 0 HB3 GLN A 42 30.075 -18.430 -1.412 1.00 1.34 H new ATOM 0 HG2 GLN A 42 30.422 -19.040 -3.614 1.00 2.01 H new ATOM 0 HG3 GLN A 42 30.392 -17.384 -4.185 1.00 2.01 H new ATOM 0 HE21 GLN A 42 32.436 -16.039 -3.105 1.00 2.84 H new ATOM 0 HE22 GLN A 42 33.978 -16.878 -3.304 1.00 2.84 H new ATOM 664 N GLY A 43 26.829 -17.418 -2.653 1.00 0.84 N ATOM 665 CA GLY A 43 25.772 -18.079 -3.469 1.00 0.88 C ATOM 666 C GLY A 43 24.935 -19.003 -2.579 1.00 0.75 C ATOM 667 O GLY A 43 24.013 -19.649 -3.035 1.00 0.86 O ATOM 0 H GLY A 43 26.511 -17.028 -1.766 1.00 0.84 H new ATOM 0 HA2 GLY A 43 25.133 -17.327 -3.932 1.00 0.88 H new ATOM 0 HA3 GLY A 43 26.228 -18.651 -4.277 1.00 0.88 H new ATOM 671 N CYS A 44 25.249 -19.073 -1.313 1.00 0.59 N ATOM 672 CA CYS A 44 24.473 -19.954 -0.398 1.00 0.50 C ATOM 673 C CYS A 44 23.124 -19.303 -0.087 1.00 0.43 C ATOM 674 O CYS A 44 22.717 -18.358 -0.732 1.00 0.52 O ATOM 675 CB CYS A 44 25.260 -20.146 0.898 1.00 0.51 C ATOM 676 SG CYS A 44 26.233 -21.669 0.793 1.00 0.76 S ATOM 0 H CYS A 44 26.011 -18.556 -0.874 1.00 0.59 H new ATOM 0 HA CYS A 44 24.305 -20.921 -0.872 1.00 0.50 H new ATOM 0 HB2 CYS A 44 25.917 -19.293 1.067 1.00 0.51 H new ATOM 0 HB3 CYS A 44 24.578 -20.196 1.747 1.00 0.51 H new ATOM 0 HG CYS A 44 27.499 -21.375 0.782 1.00 0.76 H new ATOM 682 N TYR A 45 22.426 -19.800 0.899 1.00 0.38 N ATOM 683 CA TYR A 45 21.105 -19.205 1.248 1.00 0.36 C ATOM 684 C TYR A 45 20.894 -19.254 2.759 1.00 0.27 C ATOM 685 O TYR A 45 21.655 -19.856 3.491 1.00 0.34 O ATOM 686 CB TYR A 45 19.981 -20.009 0.591 1.00 0.52 C ATOM 687 CG TYR A 45 20.006 -19.825 -0.904 1.00 0.37 C ATOM 688 CD1 TYR A 45 19.311 -18.760 -1.488 1.00 1.25 C ATOM 689 CD2 TYR A 45 20.710 -20.727 -1.708 1.00 1.30 C ATOM 690 CE1 TYR A 45 19.323 -18.595 -2.877 1.00 1.39 C ATOM 691 CE2 TYR A 45 20.722 -20.564 -3.097 1.00 1.56 C ATOM 692 CZ TYR A 45 20.028 -19.498 -3.683 1.00 1.12 C ATOM 693 OH TYR A 45 20.040 -19.338 -5.053 1.00 1.57 O ATOM 0 H TYR A 45 22.713 -20.590 1.476 1.00 0.38 H new ATOM 0 HA TYR A 45 21.090 -18.173 0.896 1.00 0.36 H new ATOM 0 HB2 TYR A 45 20.091 -21.066 0.835 1.00 0.52 H new ATOM 0 HB3 TYR A 45 19.017 -19.689 0.987 1.00 0.52 H new ATOM 0 HD1 TYR A 45 18.765 -18.066 -0.866 1.00 1.25 H new ATOM 0 HD2 TYR A 45 21.244 -21.550 -1.256 1.00 1.30 H new ATOM 0 HE1 TYR A 45 18.789 -17.772 -3.328 1.00 1.39 H new ATOM 0 HE2 TYR A 45 21.266 -21.260 -3.718 1.00 1.56 H new ATOM 0 HH TYR A 45 20.576 -20.050 -5.461 1.00 1.57 H new ATOM 703 N ALA A 46 19.838 -18.647 3.218 1.00 0.25 N ATOM 704 CA ALA A 46 19.523 -18.668 4.672 1.00 0.22 C ATOM 705 C ALA A 46 18.013 -18.794 4.828 1.00 0.18 C ATOM 706 O ALA A 46 17.261 -17.989 4.319 1.00 0.27 O ATOM 707 CB ALA A 46 19.987 -17.374 5.342 1.00 0.34 C ATOM 0 H ALA A 46 19.172 -18.132 2.642 1.00 0.25 H new ATOM 0 HA ALA A 46 20.036 -19.506 5.143 1.00 0.22 H new ATOM 0 HB1 ALA A 46 19.748 -17.409 6.405 1.00 0.34 H new ATOM 0 HB2 ALA A 46 21.064 -17.265 5.216 1.00 0.34 H new ATOM 0 HB3 ALA A 46 19.480 -16.525 4.883 1.00 0.34 H new ATOM 713 N CYS A 47 17.554 -19.797 5.514 1.00 0.18 N ATOM 714 CA CYS A 47 16.087 -19.958 5.674 1.00 0.20 C ATOM 715 C CYS A 47 15.648 -19.390 7.022 1.00 0.16 C ATOM 716 O CYS A 47 15.867 -19.982 8.061 1.00 0.18 O ATOM 717 CB CYS A 47 15.728 -21.443 5.605 1.00 0.32 C ATOM 718 SG CYS A 47 13.964 -21.623 5.242 1.00 0.76 S ATOM 0 H CYS A 47 18.126 -20.509 5.969 1.00 0.18 H new ATOM 0 HA CYS A 47 15.577 -19.421 4.875 1.00 0.20 H new ATOM 0 HB2 CYS A 47 16.321 -21.936 4.834 1.00 0.32 H new ATOM 0 HB3 CYS A 47 15.967 -21.930 6.551 1.00 0.32 H new ATOM 0 HG CYS A 47 13.429 -20.447 5.096 1.00 0.76 H new ATOM 724 N SER A 48 15.014 -18.248 7.010 1.00 0.14 N ATOM 725 CA SER A 48 14.539 -17.651 8.289 1.00 0.14 C ATOM 726 C SER A 48 13.324 -18.450 8.752 1.00 0.13 C ATOM 727 O SER A 48 12.252 -18.353 8.189 1.00 0.14 O ATOM 728 CB SER A 48 14.151 -16.187 8.072 1.00 0.15 C ATOM 729 OG SER A 48 15.106 -15.569 7.219 1.00 0.47 O ATOM 0 H SER A 48 14.806 -17.705 6.172 1.00 0.14 H new ATOM 0 HA SER A 48 15.327 -17.686 9.041 1.00 0.14 H new ATOM 0 HB2 SER A 48 13.157 -16.124 7.630 1.00 0.15 H new ATOM 0 HB3 SER A 48 14.108 -15.665 9.028 1.00 0.15 H new ATOM 0 HG SER A 48 15.998 -15.645 7.618 1.00 0.47 H new ATOM 735 N VAL A 49 13.491 -19.267 9.750 1.00 0.14 N ATOM 736 CA VAL A 49 12.345 -20.105 10.221 1.00 0.14 C ATOM 737 C VAL A 49 11.910 -19.695 11.630 1.00 0.14 C ATOM 738 O VAL A 49 12.717 -19.323 12.456 1.00 0.20 O ATOM 739 CB VAL A 49 12.775 -21.572 10.246 1.00 0.16 C ATOM 740 CG1 VAL A 49 14.083 -21.703 11.030 1.00 0.18 C ATOM 741 CG2 VAL A 49 11.690 -22.410 10.928 1.00 0.17 C ATOM 0 H VAL A 49 14.364 -19.395 10.261 1.00 0.14 H new ATOM 0 HA VAL A 49 11.508 -19.961 9.538 1.00 0.14 H new ATOM 0 HB VAL A 49 12.922 -21.926 9.226 1.00 0.16 H new ATOM 0 HG11 VAL A 49 14.392 -22.748 11.050 1.00 0.18 H new ATOM 0 HG12 VAL A 49 14.857 -21.105 10.549 1.00 0.18 H new ATOM 0 HG13 VAL A 49 13.933 -21.350 12.050 1.00 0.18 H new ATOM 0 HG21 VAL A 49 11.996 -23.456 10.946 1.00 0.17 H new ATOM 0 HG22 VAL A 49 11.545 -22.056 11.949 1.00 0.17 H new ATOM 0 HG23 VAL A 49 10.755 -22.315 10.375 1.00 0.17 H new ATOM 751 N VAL A 50 10.636 -19.786 11.918 1.00 0.16 N ATOM 752 CA VAL A 50 10.152 -19.424 13.281 1.00 0.15 C ATOM 753 C VAL A 50 10.236 -20.658 14.182 1.00 0.15 C ATOM 754 O VAL A 50 9.708 -21.706 13.866 1.00 0.16 O ATOM 755 CB VAL A 50 8.703 -18.935 13.204 1.00 0.15 C ATOM 756 CG1 VAL A 50 8.096 -18.898 14.609 1.00 0.16 C ATOM 757 CG2 VAL A 50 8.678 -17.527 12.608 1.00 0.19 C ATOM 0 H VAL A 50 9.913 -20.095 11.268 1.00 0.16 H new ATOM 0 HA VAL A 50 10.771 -18.626 13.691 1.00 0.15 H new ATOM 0 HB VAL A 50 8.124 -19.613 12.577 1.00 0.15 H new ATOM 0 HG11 VAL A 50 7.065 -18.550 14.551 1.00 0.16 H new ATOM 0 HG12 VAL A 50 8.117 -19.899 15.041 1.00 0.16 H new ATOM 0 HG13 VAL A 50 8.673 -18.219 15.237 1.00 0.16 H new ATOM 0 HG21 VAL A 50 7.648 -17.174 12.551 1.00 0.19 H new ATOM 0 HG22 VAL A 50 9.258 -16.854 13.240 1.00 0.19 H new ATOM 0 HG23 VAL A 50 9.110 -17.548 11.608 1.00 0.19 H new ATOM 767 N VAL A 51 10.905 -20.545 15.298 1.00 0.15 N ATOM 768 CA VAL A 51 11.032 -21.717 16.210 1.00 0.16 C ATOM 769 C VAL A 51 10.539 -21.345 17.608 1.00 0.17 C ATOM 770 O VAL A 51 11.075 -20.468 18.253 1.00 0.18 O ATOM 771 CB VAL A 51 12.499 -22.143 16.286 1.00 0.20 C ATOM 772 CG1 VAL A 51 12.654 -23.263 17.316 1.00 0.26 C ATOM 773 CG2 VAL A 51 12.953 -22.646 14.914 1.00 0.23 C ATOM 0 H VAL A 51 11.368 -19.694 15.617 1.00 0.15 H new ATOM 0 HA VAL A 51 10.429 -22.539 15.824 1.00 0.16 H new ATOM 0 HB VAL A 51 13.110 -21.291 16.583 1.00 0.20 H new ATOM 0 HG11 VAL A 51 13.700 -23.566 17.369 1.00 0.26 H new ATOM 0 HG12 VAL A 51 12.329 -22.906 18.293 1.00 0.26 H new ATOM 0 HG13 VAL A 51 12.044 -24.116 17.020 1.00 0.26 H new ATOM 0 HG21 VAL A 51 13.998 -22.950 14.966 1.00 0.23 H new ATOM 0 HG22 VAL A 51 12.341 -23.498 14.618 1.00 0.23 H new ATOM 0 HG23 VAL A 51 12.843 -21.848 14.179 1.00 0.23 H new ATOM 783 N ASP A 52 9.527 -22.018 18.081 1.00 0.20 N ATOM 784 CA ASP A 52 8.993 -21.726 19.442 1.00 0.25 C ATOM 785 C ASP A 52 8.439 -20.297 19.495 1.00 0.24 C ATOM 786 O ASP A 52 8.108 -19.790 20.549 1.00 0.30 O ATOM 787 CB ASP A 52 10.117 -21.887 20.468 1.00 0.29 C ATOM 788 CG ASP A 52 9.646 -21.383 21.834 1.00 0.35 C ATOM 789 OD1 ASP A 52 8.732 -21.979 22.380 1.00 1.06 O ATOM 790 OD2 ASP A 52 10.208 -20.410 22.310 1.00 0.99 O ATOM 0 H ASP A 52 9.043 -22.763 17.580 1.00 0.20 H new ATOM 0 HA ASP A 52 8.186 -22.422 19.671 1.00 0.25 H new ATOM 0 HB2 ASP A 52 10.411 -22.934 20.538 1.00 0.29 H new ATOM 0 HB3 ASP A 52 10.997 -21.329 20.148 1.00 0.29 H new ATOM 795 N GLY A 53 8.323 -19.645 18.370 1.00 0.21 N ATOM 796 CA GLY A 53 7.779 -18.259 18.369 1.00 0.24 C ATOM 797 C GLY A 53 8.906 -17.255 18.122 1.00 0.23 C ATOM 798 O GLY A 53 8.671 -16.121 17.754 1.00 0.26 O ATOM 0 H GLY A 53 8.581 -20.012 17.454 1.00 0.21 H new ATOM 0 HA2 GLY A 53 7.016 -18.159 17.597 1.00 0.24 H new ATOM 0 HA3 GLY A 53 7.296 -18.048 19.323 1.00 0.24 H new ATOM 802 N GLU A 54 10.128 -17.661 18.319 1.00 0.21 N ATOM 803 CA GLU A 54 11.267 -16.735 18.093 1.00 0.23 C ATOM 804 C GLU A 54 11.879 -17.021 16.722 1.00 0.21 C ATOM 805 O GLU A 54 12.539 -18.022 16.524 1.00 0.21 O ATOM 806 CB GLU A 54 12.321 -16.948 19.182 1.00 0.27 C ATOM 807 CG GLU A 54 13.142 -15.668 19.356 1.00 0.35 C ATOM 808 CD GLU A 54 14.338 -15.949 20.267 1.00 1.20 C ATOM 809 OE1 GLU A 54 14.451 -17.070 20.735 1.00 1.77 O ATOM 810 OE2 GLU A 54 15.120 -15.038 20.482 1.00 2.06 O ATOM 0 H GLU A 54 10.386 -18.598 18.628 1.00 0.21 H new ATOM 0 HA GLU A 54 10.917 -15.703 18.129 1.00 0.23 H new ATOM 0 HB2 GLU A 54 11.839 -17.214 20.123 1.00 0.27 H new ATOM 0 HB3 GLU A 54 12.974 -17.778 18.913 1.00 0.27 H new ATOM 0 HG2 GLU A 54 13.486 -15.310 18.386 1.00 0.35 H new ATOM 0 HG3 GLU A 54 12.522 -14.881 19.785 1.00 0.35 H new ATOM 817 N VAL A 55 11.657 -16.158 15.769 1.00 0.19 N ATOM 818 CA VAL A 55 12.217 -16.396 14.411 1.00 0.17 C ATOM 819 C VAL A 55 13.740 -16.291 14.442 1.00 0.17 C ATOM 820 O VAL A 55 14.309 -15.460 15.121 1.00 0.28 O ATOM 821 CB VAL A 55 11.650 -15.376 13.423 1.00 0.17 C ATOM 822 CG1 VAL A 55 11.943 -13.959 13.921 1.00 0.20 C ATOM 823 CG2 VAL A 55 12.308 -15.579 12.057 1.00 0.17 C ATOM 0 H VAL A 55 11.114 -15.301 15.872 1.00 0.19 H new ATOM 0 HA VAL A 55 11.937 -17.399 14.090 1.00 0.17 H new ATOM 0 HB VAL A 55 10.572 -15.513 13.338 1.00 0.17 H new ATOM 0 HG11 VAL A 55 11.538 -13.234 13.215 1.00 0.20 H new ATOM 0 HG12 VAL A 55 11.480 -13.813 14.897 1.00 0.20 H new ATOM 0 HG13 VAL A 55 13.021 -13.819 14.006 1.00 0.20 H new ATOM 0 HG21 VAL A 55 11.907 -14.854 11.349 1.00 0.17 H new ATOM 0 HG22 VAL A 55 13.385 -15.440 12.148 1.00 0.17 H new ATOM 0 HG23 VAL A 55 12.101 -16.588 11.700 1.00 0.17 H new ATOM 833 N LYS A 56 14.397 -17.138 13.702 1.00 0.20 N ATOM 834 CA LYS A 56 15.882 -17.119 13.660 1.00 0.19 C ATOM 835 C LYS A 56 16.332 -17.323 12.215 1.00 0.18 C ATOM 836 O LYS A 56 15.556 -17.715 11.365 1.00 0.20 O ATOM 837 CB LYS A 56 16.428 -18.254 14.528 1.00 0.21 C ATOM 838 CG LYS A 56 17.399 -17.686 15.564 1.00 0.27 C ATOM 839 CD LYS A 56 17.756 -18.773 16.580 1.00 1.07 C ATOM 840 CE LYS A 56 18.564 -18.157 17.724 1.00 1.26 C ATOM 841 NZ LYS A 56 18.738 -19.164 18.808 1.00 1.96 N ATOM 0 H LYS A 56 13.961 -17.851 13.117 1.00 0.20 H new ATOM 0 HA LYS A 56 16.255 -16.166 14.036 1.00 0.19 H new ATOM 0 HB2 LYS A 56 15.608 -18.770 15.028 1.00 0.21 H new ATOM 0 HB3 LYS A 56 16.935 -18.990 13.905 1.00 0.21 H new ATOM 0 HG2 LYS A 56 18.301 -17.323 15.072 1.00 0.27 H new ATOM 0 HG3 LYS A 56 16.948 -16.833 16.071 1.00 0.27 H new ATOM 0 HD2 LYS A 56 16.848 -19.234 16.969 1.00 1.07 H new ATOM 0 HD3 LYS A 56 18.333 -19.562 16.097 1.00 1.07 H new ATOM 0 HE2 LYS A 56 19.537 -17.827 17.360 1.00 1.26 H new ATOM 0 HE3 LYS A 56 18.053 -17.275 18.111 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 19.287 -18.746 19.586 1.00 1.96 H new ATOM 0 HZ2 LYS A 56 17.805 -19.458 19.162 1.00 1.96 H new ATOM 0 HZ3 LYS A 56 19.243 -19.993 18.434 1.00 1.96 H new ATOM 855 N HIS A 57 17.576 -17.069 11.923 1.00 0.17 N ATOM 856 CA HIS A 57 18.055 -17.259 10.530 1.00 0.17 C ATOM 857 C HIS A 57 18.934 -18.506 10.471 1.00 0.17 C ATOM 858 O HIS A 57 19.828 -18.681 11.272 1.00 0.22 O ATOM 859 CB HIS A 57 18.878 -16.042 10.099 1.00 0.21 C ATOM 860 CG HIS A 57 17.959 -14.904 9.746 1.00 0.26 C ATOM 861 ND1 HIS A 57 17.337 -14.810 8.511 1.00 0.31 N ATOM 862 CD2 HIS A 57 17.558 -13.797 10.453 1.00 0.36 C ATOM 863 CE1 HIS A 57 16.602 -13.682 8.513 1.00 0.38 C ATOM 864 NE2 HIS A 57 16.701 -13.027 9.673 1.00 0.40 N ATOM 0 H HIS A 57 18.278 -16.740 12.586 1.00 0.17 H new ATOM 0 HA HIS A 57 17.201 -17.374 9.863 1.00 0.17 H new ATOM 0 HB2 HIS A 57 19.550 -15.743 10.903 1.00 0.21 H new ATOM 0 HB3 HIS A 57 19.501 -16.298 9.242 1.00 0.21 H new ATOM 0 HD2 HIS A 57 17.862 -13.560 11.462 1.00 0.36 H new ATOM 0 HE1 HIS A 57 16.005 -13.347 7.678 1.00 0.38 H new ATOM 0 HE2 HIS A 57 16.246 -12.151 9.931 1.00 0.40 H new ATOM 872 N CYS A 58 18.694 -19.370 9.527 1.00 0.17 N ATOM 873 CA CYS A 58 19.530 -20.598 9.415 1.00 0.19 C ATOM 874 C CYS A 58 20.112 -20.662 8.005 1.00 0.19 C ATOM 875 O CYS A 58 19.761 -19.877 7.151 1.00 0.36 O ATOM 876 CB CYS A 58 18.666 -21.835 9.674 1.00 0.29 C ATOM 877 SG CYS A 58 17.811 -21.654 11.259 1.00 0.37 S ATOM 0 H CYS A 58 17.956 -19.280 8.828 1.00 0.17 H new ATOM 0 HA CYS A 58 20.335 -20.570 10.149 1.00 0.19 H new ATOM 0 HB2 CYS A 58 17.941 -21.960 8.870 1.00 0.29 H new ATOM 0 HB3 CYS A 58 19.288 -22.730 9.684 1.00 0.29 H new ATOM 0 HG CYS A 58 16.903 -20.729 11.159 1.00 0.37 H new ATOM 883 N VAL A 59 20.999 -21.583 7.750 1.00 0.24 N ATOM 884 CA VAL A 59 21.592 -21.677 6.386 1.00 0.24 C ATOM 885 C VAL A 59 21.052 -22.923 5.683 1.00 0.35 C ATOM 886 O VAL A 59 20.696 -23.899 6.312 1.00 0.59 O ATOM 887 CB VAL A 59 23.117 -21.757 6.495 1.00 0.32 C ATOM 888 CG1 VAL A 59 23.707 -22.236 5.166 1.00 0.45 C ATOM 889 CG2 VAL A 59 23.670 -20.368 6.822 1.00 0.36 C ATOM 0 H VAL A 59 21.338 -22.271 8.422 1.00 0.24 H new ATOM 0 HA VAL A 59 21.323 -20.793 5.807 1.00 0.24 H new ATOM 0 HB VAL A 59 23.388 -22.460 7.283 1.00 0.32 H new ATOM 0 HG11 VAL A 59 24.792 -22.291 5.249 1.00 0.45 H new ATOM 0 HG12 VAL A 59 23.311 -23.223 4.927 1.00 0.45 H new ATOM 0 HG13 VAL A 59 23.439 -21.535 4.375 1.00 0.45 H new ATOM 0 HG21 VAL A 59 24.756 -20.418 6.901 1.00 0.36 H new ATOM 0 HG22 VAL A 59 23.396 -19.671 6.030 1.00 0.36 H new ATOM 0 HG23 VAL A 59 23.253 -20.024 7.768 1.00 0.36 H new ATOM 899 N ILE A 60 20.984 -22.894 4.381 1.00 0.32 N ATOM 900 CA ILE A 60 20.463 -24.072 3.637 1.00 0.43 C ATOM 901 C ILE A 60 21.637 -24.845 3.022 1.00 0.65 C ATOM 902 O ILE A 60 21.740 -26.048 3.156 1.00 1.42 O ATOM 903 CB ILE A 60 19.482 -23.584 2.549 1.00 0.41 C ATOM 904 CG1 ILE A 60 18.240 -24.476 2.554 1.00 0.55 C ATOM 905 CG2 ILE A 60 20.126 -23.625 1.157 1.00 0.67 C ATOM 906 CD1 ILE A 60 17.005 -23.624 2.261 1.00 0.54 C ATOM 0 H ILE A 60 21.267 -22.104 3.801 1.00 0.32 H new ATOM 0 HA ILE A 60 19.929 -24.743 4.310 1.00 0.43 H new ATOM 0 HB ILE A 60 19.211 -22.552 2.771 1.00 0.41 H new ATOM 0 HG12 ILE A 60 18.340 -25.262 1.805 1.00 0.55 H new ATOM 0 HG13 ILE A 60 18.135 -24.968 3.521 1.00 0.55 H new ATOM 0 HG21 ILE A 60 19.409 -23.275 0.414 1.00 0.67 H new ATOM 0 HG22 ILE A 60 21.005 -22.981 1.144 1.00 0.67 H new ATOM 0 HG23 ILE A 60 20.422 -24.648 0.923 1.00 0.67 H new ATOM 0 HD11 ILE A 60 16.117 -24.257 2.264 1.00 0.54 H new ATOM 0 HD12 ILE A 60 16.904 -22.854 3.026 1.00 0.54 H new ATOM 0 HD13 ILE A 60 17.112 -23.153 1.284 1.00 0.54 H new ATOM 918 N ASN A 61 22.520 -24.160 2.349 1.00 0.82 N ATOM 919 CA ASN A 61 23.683 -24.851 1.726 1.00 0.95 C ATOM 920 C ASN A 61 24.979 -24.165 2.166 1.00 1.13 C ATOM 921 O ASN A 61 24.960 -23.104 2.758 1.00 1.81 O ATOM 922 CB ASN A 61 23.561 -24.779 0.202 1.00 1.66 C ATOM 923 CG ASN A 61 23.967 -26.121 -0.409 1.00 2.30 C ATOM 924 OD1 ASN A 61 23.494 -27.160 0.008 1.00 2.66 O ATOM 925 ND2 ASN A 61 24.830 -26.144 -1.388 1.00 3.08 N ATOM 0 H ASN A 61 22.486 -23.151 2.204 1.00 0.82 H new ATOM 0 HA ASN A 61 23.698 -25.894 2.041 1.00 0.95 H new ATOM 0 HB2 ASN A 61 22.537 -24.535 -0.080 1.00 1.66 H new ATOM 0 HB3 ASN A 61 24.197 -23.984 -0.187 1.00 1.66 H new ATOM 0 HD21 ASN A 61 25.107 -27.034 -1.803 1.00 3.08 H new ATOM 0 HD22 ASN A 61 25.227 -25.272 -1.738 1.00 3.08 H new ATOM 932 N LYS A 62 26.104 -24.761 1.880 1.00 1.54 N ATOM 933 CA LYS A 62 27.399 -24.143 2.280 1.00 2.46 C ATOM 934 C LYS A 62 28.364 -24.171 1.093 1.00 2.59 C ATOM 935 O LYS A 62 28.885 -23.155 0.680 1.00 3.10 O ATOM 936 CB LYS A 62 28.002 -24.928 3.447 1.00 3.38 C ATOM 937 CG LYS A 62 28.253 -23.983 4.624 1.00 3.99 C ATOM 938 CD LYS A 62 28.499 -24.801 5.893 1.00 5.00 C ATOM 939 CE LYS A 62 29.845 -25.518 5.788 1.00 5.72 C ATOM 940 NZ LYS A 62 30.933 -24.600 6.232 1.00 6.40 N ATOM 0 H LYS A 62 26.182 -25.650 1.386 1.00 1.54 H new ATOM 0 HA LYS A 62 27.230 -23.111 2.587 1.00 2.46 H new ATOM 0 HB2 LYS A 62 27.326 -25.729 3.748 1.00 3.38 H new ATOM 0 HB3 LYS A 62 28.936 -25.398 3.139 1.00 3.38 H new ATOM 0 HG2 LYS A 62 29.114 -23.347 4.416 1.00 3.99 H new ATOM 0 HG3 LYS A 62 27.396 -23.324 4.764 1.00 3.99 H new ATOM 0 HD2 LYS A 62 28.490 -24.148 6.766 1.00 5.00 H new ATOM 0 HD3 LYS A 62 27.698 -25.528 6.030 1.00 5.00 H new ATOM 0 HE2 LYS A 62 29.839 -26.417 6.404 1.00 5.72 H new ATOM 0 HE3 LYS A 62 30.020 -25.837 4.760 1.00 5.72 H new ATOM 0 HZ1 LYS A 62 31.849 -25.087 6.161 1.00 6.40 H new ATOM 0 HZ2 LYS A 62 30.943 -23.755 5.626 1.00 6.40 H new ATOM 0 HZ3 LYS A 62 30.767 -24.317 7.219 1.00 6.40 H new ATOM 954 N THR A 63 28.604 -25.328 0.540 1.00 2.57 N ATOM 955 CA THR A 63 29.534 -25.421 -0.621 1.00 2.87 C ATOM 956 C THR A 63 28.738 -25.769 -1.881 1.00 2.84 C ATOM 957 O THR A 63 27.744 -26.465 -1.826 1.00 3.37 O ATOM 958 CB THR A 63 30.575 -26.511 -0.355 1.00 3.27 C ATOM 959 OG1 THR A 63 29.930 -27.776 -0.300 1.00 3.67 O ATOM 960 CG2 THR A 63 31.275 -26.234 0.976 1.00 3.78 C ATOM 0 H THR A 63 28.196 -26.213 0.842 1.00 2.57 H new ATOM 0 HA THR A 63 30.039 -24.466 -0.762 1.00 2.87 H new ATOM 0 HB THR A 63 31.313 -26.514 -1.157 1.00 3.27 H new ATOM 0 HG1 THR A 63 30.595 -28.475 -0.131 1.00 3.67 H new ATOM 0 HG21 THR A 63 32.016 -27.010 1.166 1.00 3.78 H new ATOM 0 HG22 THR A 63 31.769 -25.263 0.932 1.00 3.78 H new ATOM 0 HG23 THR A 63 30.539 -26.231 1.780 1.00 3.78 H new ATOM 968 N ALA A 64 29.164 -25.288 -3.017 1.00 2.70 N ATOM 969 CA ALA A 64 28.426 -25.590 -4.275 1.00 2.84 C ATOM 970 C ALA A 64 28.336 -27.101 -4.466 1.00 2.42 C ATOM 971 O ALA A 64 29.322 -27.779 -4.673 1.00 2.81 O ATOM 972 CB ALA A 64 29.155 -24.963 -5.465 1.00 3.64 C ATOM 0 H ALA A 64 29.990 -24.700 -3.128 1.00 2.70 H new ATOM 0 HA ALA A 64 27.421 -25.174 -4.211 1.00 2.84 H new ATOM 0 HB1 ALA A 64 28.612 -25.186 -6.383 1.00 3.64 H new ATOM 0 HB2 ALA A 64 29.210 -23.883 -5.330 1.00 3.64 H new ATOM 0 HB3 ALA A 64 30.163 -25.372 -5.531 1.00 3.64 H new ATOM 978 N THR A 65 27.145 -27.618 -4.401 1.00 2.31 N ATOM 979 CA THR A 65 26.933 -29.082 -4.574 1.00 2.36 C ATOM 980 C THR A 65 25.430 -29.358 -4.646 1.00 1.95 C ATOM 981 O THR A 65 24.989 -30.294 -5.282 1.00 2.30 O ATOM 982 CB THR A 65 27.528 -29.841 -3.382 1.00 2.85 C ATOM 983 OG1 THR A 65 28.924 -29.593 -3.305 1.00 3.23 O ATOM 984 CG2 THR A 65 27.285 -31.340 -3.561 1.00 3.50 C ATOM 0 H THR A 65 26.294 -27.081 -4.233 1.00 2.31 H new ATOM 0 HA THR A 65 27.422 -29.415 -5.490 1.00 2.36 H new ATOM 0 HB THR A 65 27.051 -29.501 -2.463 1.00 2.85 H new ATOM 0 HG1 THR A 65 29.253 -29.298 -4.180 1.00 3.23 H new ATOM 0 HG21 THR A 65 27.708 -31.881 -2.714 1.00 3.50 H new ATOM 0 HG22 THR A 65 26.213 -31.531 -3.615 1.00 3.50 H new ATOM 0 HG23 THR A 65 27.761 -31.678 -4.481 1.00 3.50 H new ATOM 992 N GLY A 66 24.638 -28.545 -3.996 1.00 1.60 N ATOM 993 CA GLY A 66 23.163 -28.755 -4.024 1.00 1.47 C ATOM 994 C GLY A 66 22.484 -27.706 -3.141 1.00 1.27 C ATOM 995 O GLY A 66 22.992 -26.620 -2.950 1.00 1.49 O ATOM 0 H GLY A 66 24.951 -27.744 -3.447 1.00 1.60 H new ATOM 0 HA2 GLY A 66 22.793 -28.680 -5.047 1.00 1.47 H new ATOM 0 HA3 GLY A 66 22.920 -29.757 -3.670 1.00 1.47 H new ATOM 999 N TYR A 67 21.339 -28.022 -2.600 1.00 1.08 N ATOM 1000 CA TYR A 67 20.631 -27.042 -1.728 1.00 0.95 C ATOM 1001 C TYR A 67 20.119 -27.754 -0.475 1.00 1.04 C ATOM 1002 O TYR A 67 19.031 -27.491 -0.001 1.00 1.83 O ATOM 1003 CB TYR A 67 19.448 -26.438 -2.490 1.00 0.90 C ATOM 1004 CG TYR A 67 19.959 -25.493 -3.553 1.00 0.87 C ATOM 1005 CD1 TYR A 67 20.912 -24.521 -3.227 1.00 1.51 C ATOM 1006 CD2 TYR A 67 19.478 -25.589 -4.865 1.00 1.63 C ATOM 1007 CE1 TYR A 67 21.384 -23.644 -4.211 1.00 1.79 C ATOM 1008 CE2 TYR A 67 19.950 -24.713 -5.850 1.00 1.97 C ATOM 1009 CZ TYR A 67 20.903 -23.740 -5.523 1.00 1.70 C ATOM 1010 OH TYR A 67 21.367 -22.875 -6.493 1.00 2.24 O ATOM 0 H TYR A 67 20.863 -28.916 -2.724 1.00 1.08 H new ATOM 0 HA TYR A 67 21.320 -26.248 -1.441 1.00 0.95 H new ATOM 0 HB2 TYR A 67 18.855 -27.230 -2.948 1.00 0.90 H new ATOM 0 HB3 TYR A 67 18.792 -25.906 -1.801 1.00 0.90 H new ATOM 0 HD1 TYR A 67 21.284 -24.447 -2.216 1.00 1.51 H new ATOM 0 HD2 TYR A 67 18.743 -26.339 -5.117 1.00 1.63 H new ATOM 0 HE1 TYR A 67 22.119 -22.894 -3.959 1.00 1.79 H new ATOM 0 HE2 TYR A 67 19.579 -24.788 -6.862 1.00 1.97 H new ATOM 0 HH TYR A 67 20.932 -23.078 -7.347 1.00 2.24 H new ATOM 1020 N GLY A 68 20.893 -28.656 0.067 1.00 1.08 N ATOM 1021 CA GLY A 68 20.447 -29.384 1.289 1.00 1.07 C ATOM 1022 C GLY A 68 20.151 -28.379 2.404 1.00 1.03 C ATOM 1023 O GLY A 68 19.959 -27.205 2.159 1.00 1.91 O ATOM 0 H GLY A 68 21.814 -28.920 -0.284 1.00 1.08 H new ATOM 0 HA2 GLY A 68 19.556 -29.972 1.070 1.00 1.07 H new ATOM 0 HA3 GLY A 68 21.219 -30.083 1.611 1.00 1.07 H new ATOM 1027 N PHE A 69 20.111 -28.831 3.628 1.00 0.82 N ATOM 1028 CA PHE A 69 19.826 -27.900 4.757 1.00 0.66 C ATOM 1029 C PHE A 69 21.023 -27.869 5.707 1.00 0.70 C ATOM 1030 O PHE A 69 20.961 -27.303 6.780 1.00 1.64 O ATOM 1031 CB PHE A 69 18.590 -28.380 5.519 1.00 0.67 C ATOM 1032 CG PHE A 69 17.654 -27.216 5.739 1.00 0.52 C ATOM 1033 CD1 PHE A 69 18.151 -26.003 6.229 1.00 1.27 C ATOM 1034 CD2 PHE A 69 16.291 -27.349 5.451 1.00 1.24 C ATOM 1035 CE1 PHE A 69 17.284 -24.923 6.433 1.00 1.25 C ATOM 1036 CE2 PHE A 69 15.424 -26.270 5.654 1.00 1.21 C ATOM 1037 CZ PHE A 69 15.921 -25.057 6.145 1.00 0.37 C ATOM 0 H PHE A 69 20.263 -29.804 3.895 1.00 0.82 H new ATOM 0 HA PHE A 69 19.645 -26.900 4.362 1.00 0.66 H new ATOM 0 HB2 PHE A 69 18.085 -29.166 4.957 1.00 0.67 H new ATOM 0 HB3 PHE A 69 18.884 -28.811 6.476 1.00 0.67 H new ATOM 0 HD1 PHE A 69 19.203 -25.900 6.450 1.00 1.27 H new ATOM 0 HD2 PHE A 69 15.908 -28.285 5.072 1.00 1.24 H new ATOM 0 HE1 PHE A 69 17.667 -23.987 6.812 1.00 1.25 H new ATOM 0 HE2 PHE A 69 14.372 -26.373 5.432 1.00 1.21 H new ATOM 0 HZ PHE A 69 15.252 -24.224 6.302 1.00 0.37 H new ATOM 1047 N ALA A 70 22.112 -28.475 5.325 1.00 0.72 N ATOM 1048 CA ALA A 70 23.307 -28.479 6.212 1.00 0.69 C ATOM 1049 C ALA A 70 24.313 -29.515 5.704 1.00 0.89 C ATOM 1050 O ALA A 70 25.502 -29.396 5.919 1.00 1.59 O ATOM 1051 CB ALA A 70 22.876 -28.833 7.637 1.00 0.62 C ATOM 0 H ALA A 70 22.226 -28.967 4.439 1.00 0.72 H new ATOM 0 HA ALA A 70 23.772 -27.493 6.208 1.00 0.69 H new ATOM 0 HB1 ALA A 70 23.748 -28.837 8.291 1.00 0.62 H new ATOM 0 HB2 ALA A 70 22.158 -28.094 7.994 1.00 0.62 H new ATOM 0 HB3 ALA A 70 22.414 -29.820 7.643 1.00 0.62 H new ATOM 1057 N GLU A 71 23.845 -30.527 5.024 1.00 1.24 N ATOM 1058 CA GLU A 71 24.777 -31.564 4.496 1.00 1.46 C ATOM 1059 C GLU A 71 24.528 -31.745 2.994 1.00 1.46 C ATOM 1060 O GLU A 71 23.400 -31.693 2.547 1.00 1.90 O ATOM 1061 CB GLU A 71 24.533 -32.890 5.221 1.00 1.99 C ATOM 1062 CG GLU A 71 25.834 -33.357 5.878 1.00 2.72 C ATOM 1063 CD GLU A 71 25.511 -34.165 7.137 1.00 3.47 C ATOM 1064 OE1 GLU A 71 25.337 -33.556 8.180 1.00 3.89 O ATOM 1065 OE2 GLU A 71 25.442 -35.379 7.036 1.00 4.03 O ATOM 0 H GLU A 71 22.859 -30.680 4.812 1.00 1.24 H new ATOM 0 HA GLU A 71 25.808 -31.250 4.661 1.00 1.46 H new ATOM 0 HB2 GLU A 71 23.756 -32.767 5.975 1.00 1.99 H new ATOM 0 HB3 GLU A 71 24.178 -33.642 4.517 1.00 1.99 H new ATOM 0 HG2 GLU A 71 26.408 -33.966 5.180 1.00 2.72 H new ATOM 0 HG3 GLU A 71 26.453 -32.497 6.134 1.00 2.72 H new ATOM 1072 N PRO A 72 25.591 -31.946 2.258 1.00 1.80 N ATOM 1073 CA PRO A 72 25.521 -32.131 0.799 1.00 2.19 C ATOM 1074 C PRO A 72 25.086 -33.558 0.455 1.00 1.84 C ATOM 1075 O PRO A 72 25.772 -34.516 0.752 1.00 2.26 O ATOM 1076 CB PRO A 72 26.957 -31.874 0.336 1.00 3.19 C ATOM 1077 CG PRO A 72 27.862 -32.123 1.567 1.00 3.42 C ATOM 1078 CD PRO A 72 26.960 -32.008 2.810 1.00 2.54 C ATOM 0 HA PRO A 72 24.797 -31.472 0.320 1.00 2.19 H new ATOM 0 HB2 PRO A 72 27.226 -32.539 -0.485 1.00 3.19 H new ATOM 0 HB3 PRO A 72 27.071 -30.854 -0.030 1.00 3.19 H new ATOM 0 HG2 PRO A 72 28.324 -33.109 1.514 1.00 3.42 H new ATOM 0 HG3 PRO A 72 28.671 -31.393 1.607 1.00 3.42 H new ATOM 0 HD2 PRO A 72 27.084 -32.864 3.473 1.00 2.54 H new ATOM 0 HD3 PRO A 72 27.196 -31.117 3.392 1.00 2.54 H new ATOM 1086 N TYR A 73 23.953 -33.706 -0.176 1.00 1.88 N ATOM 1087 CA TYR A 73 23.477 -35.068 -0.547 1.00 2.16 C ATOM 1088 C TYR A 73 22.704 -34.988 -1.863 1.00 2.37 C ATOM 1089 O TYR A 73 22.135 -33.968 -2.198 1.00 3.15 O ATOM 1090 CB TYR A 73 22.558 -35.610 0.550 1.00 2.84 C ATOM 1091 CG TYR A 73 23.001 -37.001 0.935 1.00 3.25 C ATOM 1092 CD1 TYR A 73 24.361 -37.278 1.118 1.00 3.89 C ATOM 1093 CD2 TYR A 73 22.052 -38.015 1.110 1.00 3.63 C ATOM 1094 CE1 TYR A 73 24.772 -38.568 1.474 1.00 4.63 C ATOM 1095 CE2 TYR A 73 22.462 -39.305 1.467 1.00 4.38 C ATOM 1096 CZ TYR A 73 23.822 -39.581 1.649 1.00 4.78 C ATOM 1097 OH TYR A 73 24.227 -40.853 2.002 1.00 5.71 O ATOM 0 H TYR A 73 23.336 -32.941 -0.451 1.00 1.88 H new ATOM 0 HA TYR A 73 24.332 -35.734 -0.661 1.00 2.16 H new ATOM 0 HB2 TYR A 73 22.586 -34.954 1.420 1.00 2.84 H new ATOM 0 HB3 TYR A 73 21.526 -35.629 0.199 1.00 2.84 H new ATOM 0 HD1 TYR A 73 25.094 -36.496 0.984 1.00 3.89 H new ATOM 0 HD2 TYR A 73 21.003 -37.802 0.969 1.00 3.63 H new ATOM 0 HE1 TYR A 73 25.821 -38.781 1.614 1.00 4.63 H new ATOM 0 HE2 TYR A 73 21.729 -40.087 1.602 1.00 4.38 H new ATOM 0 HH TYR A 73 23.443 -41.435 2.084 1.00 5.71 H new ATOM 1107 N ASN A 74 22.679 -36.055 -2.615 1.00 2.18 N ATOM 1108 CA ASN A 74 21.944 -36.031 -3.910 1.00 2.62 C ATOM 1109 C ASN A 74 22.355 -34.784 -4.698 1.00 2.01 C ATOM 1110 O ASN A 74 23.399 -34.209 -4.460 1.00 2.22 O ATOM 1111 CB ASN A 74 20.437 -36.003 -3.638 1.00 3.58 C ATOM 1112 CG ASN A 74 19.805 -37.308 -4.127 1.00 4.29 C ATOM 1113 OD1 ASN A 74 19.831 -37.605 -5.305 1.00 4.60 O ATOM 1114 ND2 ASN A 74 19.237 -38.107 -3.266 1.00 5.01 N ATOM 0 H ASN A 74 23.134 -36.939 -2.389 1.00 2.18 H new ATOM 0 HA ASN A 74 22.186 -36.921 -4.491 1.00 2.62 H new ATOM 0 HB2 ASN A 74 20.252 -35.874 -2.572 1.00 3.58 H new ATOM 0 HB3 ASN A 74 19.981 -35.153 -4.146 1.00 3.58 H new ATOM 0 HD21 ASN A 74 18.815 -38.980 -3.582 1.00 5.01 H new ATOM 0 HD22 ASN A 74 19.215 -37.858 -2.277 1.00 5.01 H new ATOM 1121 N LEU A 75 21.553 -34.362 -5.638 1.00 2.02 N ATOM 1122 CA LEU A 75 21.917 -33.155 -6.433 1.00 1.91 C ATOM 1123 C LEU A 75 20.737 -32.173 -6.448 1.00 1.75 C ATOM 1124 O LEU A 75 20.417 -31.569 -5.443 1.00 2.27 O ATOM 1125 CB LEU A 75 22.274 -33.583 -7.858 1.00 2.51 C ATOM 1126 CG LEU A 75 23.450 -34.561 -7.816 1.00 3.28 C ATOM 1127 CD1 LEU A 75 22.939 -35.988 -8.027 1.00 3.96 C ATOM 1128 CD2 LEU A 75 24.447 -34.207 -8.923 1.00 3.83 C ATOM 0 H LEU A 75 20.666 -34.799 -5.889 1.00 2.02 H new ATOM 0 HA LEU A 75 22.777 -32.659 -5.983 1.00 1.91 H new ATOM 0 HB2 LEU A 75 21.413 -34.052 -8.335 1.00 2.51 H new ATOM 0 HB3 LEU A 75 22.534 -32.710 -8.457 1.00 2.51 H new ATOM 0 HG LEU A 75 23.943 -34.493 -6.846 1.00 3.28 H new ATOM 0 HD11 LEU A 75 23.778 -36.683 -7.997 1.00 3.96 H new ATOM 0 HD12 LEU A 75 22.230 -36.241 -7.239 1.00 3.96 H new ATOM 0 HD13 LEU A 75 22.445 -36.058 -8.996 1.00 3.96 H new ATOM 0 HD21 LEU A 75 25.285 -34.903 -8.894 1.00 3.83 H new ATOM 0 HD22 LEU A 75 23.953 -34.274 -9.892 1.00 3.83 H new ATOM 0 HD23 LEU A 75 24.813 -33.192 -8.772 1.00 3.83 H new ATOM 1140 N TYR A 76 20.084 -32.002 -7.570 1.00 1.75 N ATOM 1141 CA TYR A 76 18.935 -31.055 -7.619 1.00 1.73 C ATOM 1142 C TYR A 76 19.458 -29.616 -7.579 1.00 1.41 C ATOM 1143 O TYR A 76 20.153 -29.224 -6.663 1.00 1.92 O ATOM 1144 CB TYR A 76 18.021 -31.303 -6.416 1.00 2.31 C ATOM 1145 CG TYR A 76 17.910 -32.789 -6.164 1.00 3.26 C ATOM 1146 CD1 TYR A 76 17.906 -33.686 -7.239 1.00 3.96 C ATOM 1147 CD2 TYR A 76 17.815 -33.270 -4.852 1.00 3.87 C ATOM 1148 CE1 TYR A 76 17.806 -35.063 -7.003 1.00 4.86 C ATOM 1149 CE2 TYR A 76 17.715 -34.647 -4.616 1.00 4.80 C ATOM 1150 CZ TYR A 76 17.711 -35.544 -5.692 1.00 5.16 C ATOM 1151 OH TYR A 76 17.614 -36.901 -5.460 1.00 6.12 O ATOM 0 H TYR A 76 20.297 -32.475 -8.448 1.00 1.75 H new ATOM 0 HA TYR A 76 18.373 -31.210 -8.540 1.00 1.73 H new ATOM 0 HB2 TYR A 76 18.420 -30.803 -5.534 1.00 2.31 H new ATOM 0 HB3 TYR A 76 17.034 -30.880 -6.603 1.00 2.31 H new ATOM 0 HD1 TYR A 76 17.980 -33.316 -8.251 1.00 3.96 H new ATOM 0 HD2 TYR A 76 17.819 -32.579 -4.022 1.00 3.87 H new ATOM 0 HE1 TYR A 76 17.802 -35.754 -7.833 1.00 4.86 H new ATOM 0 HE2 TYR A 76 17.641 -35.017 -3.604 1.00 4.80 H new ATOM 0 HH TYR A 76 18.353 -37.363 -5.908 1.00 6.12 H new ATOM 1161 N SER A 77 19.131 -28.827 -8.567 1.00 1.49 N ATOM 1162 CA SER A 77 19.611 -27.415 -8.587 1.00 2.04 C ATOM 1163 C SER A 77 18.484 -26.482 -8.136 1.00 1.77 C ATOM 1164 O SER A 77 18.282 -25.423 -8.697 1.00 2.39 O ATOM 1165 CB SER A 77 20.040 -27.044 -10.007 1.00 2.97 C ATOM 1166 OG SER A 77 20.359 -25.660 -10.054 1.00 3.69 O ATOM 0 H SER A 77 18.552 -29.099 -9.361 1.00 1.49 H new ATOM 0 HA SER A 77 20.459 -27.312 -7.910 1.00 2.04 H new ATOM 0 HB2 SER A 77 20.904 -27.638 -10.305 1.00 2.97 H new ATOM 0 HB3 SER A 77 19.239 -27.269 -10.712 1.00 2.97 H new ATOM 0 HG SER A 77 19.578 -25.135 -9.781 1.00 3.69 H new ATOM 1172 N SER A 78 17.751 -26.866 -7.128 1.00 1.09 N ATOM 1173 CA SER A 78 16.639 -26.000 -6.643 1.00 0.85 C ATOM 1174 C SER A 78 16.407 -26.261 -5.154 1.00 0.62 C ATOM 1175 O SER A 78 16.714 -27.321 -4.646 1.00 0.73 O ATOM 1176 CB SER A 78 15.364 -26.322 -7.423 1.00 0.92 C ATOM 1177 OG SER A 78 15.450 -25.747 -8.721 1.00 1.87 O ATOM 0 H SER A 78 17.873 -27.741 -6.619 1.00 1.09 H new ATOM 0 HA SER A 78 16.900 -24.952 -6.793 1.00 0.85 H new ATOM 0 HB2 SER A 78 15.233 -27.401 -7.499 1.00 0.92 H new ATOM 0 HB3 SER A 78 14.493 -25.931 -6.896 1.00 0.92 H new ATOM 0 HG SER A 78 16.359 -25.414 -8.872 1.00 1.87 H new ATOM 1183 N LEU A 79 15.868 -25.304 -4.447 1.00 0.47 N ATOM 1184 CA LEU A 79 15.622 -25.507 -2.991 1.00 0.36 C ATOM 1185 C LEU A 79 14.241 -26.124 -2.786 1.00 0.31 C ATOM 1186 O LEU A 79 13.997 -26.810 -1.816 1.00 0.29 O ATOM 1187 CB LEU A 79 15.689 -24.161 -2.265 1.00 0.52 C ATOM 1188 CG LEU A 79 16.877 -23.354 -2.791 1.00 0.67 C ATOM 1189 CD1 LEU A 79 16.367 -22.155 -3.591 1.00 1.23 C ATOM 1190 CD2 LEU A 79 17.718 -22.860 -1.611 1.00 1.48 C ATOM 0 H LEU A 79 15.589 -24.394 -4.813 1.00 0.47 H new ATOM 0 HA LEU A 79 16.383 -26.175 -2.588 1.00 0.36 H new ATOM 0 HB2 LEU A 79 14.763 -23.607 -2.419 1.00 0.52 H new ATOM 0 HB3 LEU A 79 15.791 -24.320 -1.191 1.00 0.52 H new ATOM 0 HG LEU A 79 17.488 -23.985 -3.436 1.00 0.67 H new ATOM 0 HD11 LEU A 79 17.214 -21.580 -3.965 1.00 1.23 H new ATOM 0 HD12 LEU A 79 15.767 -22.506 -4.431 1.00 1.23 H new ATOM 0 HD13 LEU A 79 15.755 -21.522 -2.948 1.00 1.23 H new ATOM 0 HD21 LEU A 79 18.565 -22.285 -1.984 1.00 1.48 H new ATOM 0 HD22 LEU A 79 17.106 -22.229 -0.967 1.00 1.48 H new ATOM 0 HD23 LEU A 79 18.082 -23.715 -1.041 1.00 1.48 H new ATOM 1202 N LYS A 80 13.335 -25.884 -3.692 1.00 0.31 N ATOM 1203 CA LYS A 80 11.965 -26.455 -3.549 1.00 0.31 C ATOM 1204 C LYS A 80 12.060 -27.903 -3.064 1.00 0.30 C ATOM 1205 O LYS A 80 11.221 -28.375 -2.323 1.00 0.31 O ATOM 1206 CB LYS A 80 11.251 -26.415 -4.900 1.00 0.37 C ATOM 1207 CG LYS A 80 9.916 -27.154 -4.792 1.00 1.30 C ATOM 1208 CD LYS A 80 9.235 -27.181 -6.162 1.00 1.58 C ATOM 1209 CE LYS A 80 9.085 -28.630 -6.629 1.00 1.72 C ATOM 1210 NZ LYS A 80 10.018 -28.886 -7.762 1.00 2.15 N ATOM 0 H LYS A 80 13.483 -25.317 -4.527 1.00 0.31 H new ATOM 0 HA LYS A 80 11.403 -25.867 -2.824 1.00 0.31 H new ATOM 0 HB2 LYS A 80 11.084 -25.382 -5.205 1.00 0.37 H new ATOM 0 HB3 LYS A 80 11.874 -26.876 -5.666 1.00 0.37 H new ATOM 0 HG2 LYS A 80 10.079 -28.171 -4.435 1.00 1.30 H new ATOM 0 HG3 LYS A 80 9.273 -26.660 -4.064 1.00 1.30 H new ATOM 0 HD2 LYS A 80 8.257 -26.704 -6.103 1.00 1.58 H new ATOM 0 HD3 LYS A 80 9.823 -26.614 -6.884 1.00 1.58 H new ATOM 0 HE2 LYS A 80 9.299 -29.312 -5.806 1.00 1.72 H new ATOM 0 HE3 LYS A 80 8.058 -28.818 -6.940 1.00 1.72 H new ATOM 0 HZ1 LYS A 80 9.916 -29.871 -8.080 1.00 2.15 H new ATOM 0 HZ2 LYS A 80 9.794 -28.244 -8.548 1.00 2.15 H new ATOM 0 HZ3 LYS A 80 10.996 -28.722 -7.450 1.00 2.15 H new ATOM 1224 N GLU A 81 13.078 -28.612 -3.472 1.00 0.32 N ATOM 1225 CA GLU A 81 13.221 -30.026 -3.026 1.00 0.35 C ATOM 1226 C GLU A 81 13.680 -30.053 -1.570 1.00 0.32 C ATOM 1227 O GLU A 81 13.089 -30.710 -0.741 1.00 0.33 O ATOM 1228 CB GLU A 81 14.249 -30.742 -3.905 1.00 0.41 C ATOM 1229 CG GLU A 81 13.531 -31.738 -4.817 1.00 0.70 C ATOM 1230 CD GLU A 81 14.546 -32.397 -5.754 1.00 1.35 C ATOM 1231 OE1 GLU A 81 15.001 -31.728 -6.667 1.00 1.93 O ATOM 1232 OE2 GLU A 81 14.850 -33.559 -5.542 1.00 2.12 O ATOM 0 H GLU A 81 13.814 -28.274 -4.092 1.00 0.32 H new ATOM 0 HA GLU A 81 12.261 -30.534 -3.113 1.00 0.35 H new ATOM 0 HB2 GLU A 81 14.801 -30.017 -4.503 1.00 0.41 H new ATOM 0 HB3 GLU A 81 14.977 -31.262 -3.282 1.00 0.41 H new ATOM 0 HG2 GLU A 81 13.027 -32.497 -4.219 1.00 0.70 H new ATOM 0 HG3 GLU A 81 12.763 -31.227 -5.397 1.00 0.70 H new ATOM 1239 N LEU A 82 14.720 -29.336 -1.246 1.00 0.32 N ATOM 1240 CA LEU A 82 15.196 -29.315 0.165 1.00 0.32 C ATOM 1241 C LEU A 82 14.030 -28.914 1.061 1.00 0.27 C ATOM 1242 O LEU A 82 13.554 -29.681 1.875 1.00 0.33 O ATOM 1243 CB LEU A 82 16.320 -28.285 0.303 1.00 0.36 C ATOM 1244 CG LEU A 82 16.748 -28.146 1.771 1.00 0.37 C ATOM 1245 CD1 LEU A 82 15.758 -27.243 2.507 1.00 1.10 C ATOM 1246 CD2 LEU A 82 16.782 -29.522 2.447 1.00 0.98 C ATOM 0 H LEU A 82 15.260 -28.765 -1.896 1.00 0.32 H new ATOM 0 HA LEU A 82 15.570 -30.298 0.452 1.00 0.32 H new ATOM 0 HB2 LEU A 82 17.174 -28.587 -0.303 1.00 0.36 H new ATOM 0 HB3 LEU A 82 15.985 -27.320 -0.077 1.00 0.36 H new ATOM 0 HG LEU A 82 17.745 -27.708 1.808 1.00 0.37 H new ATOM 0 HD11 LEU A 82 16.061 -27.144 3.549 1.00 1.10 H new ATOM 0 HD12 LEU A 82 15.745 -26.259 2.038 1.00 1.10 H new ATOM 0 HD13 LEU A 82 14.761 -27.681 2.459 1.00 1.10 H new ATOM 0 HD21 LEU A 82 17.087 -29.409 3.487 1.00 0.98 H new ATOM 0 HD22 LEU A 82 15.790 -29.972 2.407 1.00 0.98 H new ATOM 0 HD23 LEU A 82 17.493 -30.165 1.928 1.00 0.98 H new ATOM 1258 N VAL A 83 13.570 -27.709 0.905 1.00 0.22 N ATOM 1259 CA VAL A 83 12.428 -27.222 1.725 1.00 0.18 C ATOM 1260 C VAL A 83 11.339 -28.301 1.790 1.00 0.16 C ATOM 1261 O VAL A 83 10.696 -28.476 2.804 1.00 0.15 O ATOM 1262 CB VAL A 83 11.866 -25.946 1.081 1.00 0.19 C ATOM 1263 CG1 VAL A 83 10.443 -25.681 1.575 1.00 0.20 C ATOM 1264 CG2 VAL A 83 12.747 -24.757 1.458 1.00 0.24 C ATOM 0 H VAL A 83 13.939 -27.032 0.238 1.00 0.22 H new ATOM 0 HA VAL A 83 12.764 -27.004 2.739 1.00 0.18 H new ATOM 0 HB VAL A 83 11.852 -26.078 -0.001 1.00 0.19 H new ATOM 0 HG11 VAL A 83 10.059 -24.773 1.109 1.00 0.20 H new ATOM 0 HG12 VAL A 83 9.803 -26.523 1.310 1.00 0.20 H new ATOM 0 HG13 VAL A 83 10.451 -25.558 2.658 1.00 0.20 H new ATOM 0 HG21 VAL A 83 12.349 -23.850 1.002 1.00 0.24 H new ATOM 0 HG22 VAL A 83 12.759 -24.642 2.542 1.00 0.24 H new ATOM 0 HG23 VAL A 83 13.762 -24.928 1.100 1.00 0.24 H new ATOM 1274 N LEU A 84 11.120 -29.019 0.718 1.00 0.21 N ATOM 1275 CA LEU A 84 10.062 -30.072 0.730 1.00 0.24 C ATOM 1276 C LEU A 84 10.440 -31.192 1.703 1.00 0.25 C ATOM 1277 O LEU A 84 9.616 -31.686 2.444 1.00 0.32 O ATOM 1278 CB LEU A 84 9.905 -30.654 -0.678 1.00 0.31 C ATOM 1279 CG LEU A 84 8.450 -30.514 -1.130 1.00 0.76 C ATOM 1280 CD1 LEU A 84 7.521 -31.014 -0.023 1.00 1.12 C ATOM 1281 CD2 LEU A 84 8.148 -29.042 -1.421 1.00 1.85 C ATOM 0 H LEU A 84 11.627 -28.922 -0.162 1.00 0.21 H new ATOM 0 HA LEU A 84 9.122 -29.624 1.052 1.00 0.24 H new ATOM 0 HB2 LEU A 84 10.564 -30.134 -1.373 1.00 0.31 H new ATOM 0 HB3 LEU A 84 10.199 -31.704 -0.684 1.00 0.31 H new ATOM 0 HG LEU A 84 8.291 -31.105 -2.032 1.00 0.76 H new ATOM 0 HD11 LEU A 84 6.484 -30.914 -0.345 1.00 1.12 H new ATOM 0 HD12 LEU A 84 7.736 -32.062 0.187 1.00 1.12 H new ATOM 0 HD13 LEU A 84 7.679 -30.423 0.879 1.00 1.12 H new ATOM 0 HD21 LEU A 84 7.112 -28.940 -1.743 1.00 1.85 H new ATOM 0 HD22 LEU A 84 8.307 -28.453 -0.518 1.00 1.85 H new ATOM 0 HD23 LEU A 84 8.810 -28.684 -2.209 1.00 1.85 H new ATOM 1293 N HIS A 85 11.676 -31.600 1.707 1.00 0.32 N ATOM 1294 CA HIS A 85 12.095 -32.687 2.633 1.00 0.34 C ATOM 1295 C HIS A 85 11.869 -32.238 4.071 1.00 0.30 C ATOM 1296 O HIS A 85 11.081 -32.808 4.798 1.00 0.31 O ATOM 1297 CB HIS A 85 13.578 -32.977 2.435 1.00 0.41 C ATOM 1298 CG HIS A 85 13.939 -34.252 3.143 1.00 0.46 C ATOM 1299 ND1 HIS A 85 14.080 -35.457 2.474 1.00 0.55 N ATOM 1300 CD2 HIS A 85 14.191 -34.522 4.463 1.00 0.47 C ATOM 1301 CE1 HIS A 85 14.403 -36.391 3.388 1.00 0.59 C ATOM 1302 NE2 HIS A 85 14.484 -35.874 4.617 1.00 0.54 N ATOM 0 H HIS A 85 12.415 -31.228 1.110 1.00 0.32 H new ATOM 0 HA HIS A 85 11.511 -33.584 2.427 1.00 0.34 H new ATOM 0 HB2 HIS A 85 13.804 -33.062 1.372 1.00 0.41 H new ATOM 0 HB3 HIS A 85 14.176 -32.152 2.822 1.00 0.41 H new ATOM 0 HD2 HIS A 85 14.166 -33.796 5.262 1.00 0.47 H new ATOM 0 HE1 HIS A 85 14.576 -37.432 3.156 1.00 0.59 H new ATOM 0 HE2 HIS A 85 14.712 -36.364 5.482 1.00 0.54 H new ATOM 1310 N TYR A 86 12.565 -31.220 4.483 1.00 0.28 N ATOM 1311 CA TYR A 86 12.409 -30.723 5.868 1.00 0.27 C ATOM 1312 C TYR A 86 10.971 -30.251 6.084 1.00 0.26 C ATOM 1313 O TYR A 86 10.542 -30.045 7.201 1.00 0.30 O ATOM 1314 CB TYR A 86 13.380 -29.567 6.089 1.00 0.30 C ATOM 1315 CG TYR A 86 14.778 -30.116 6.248 1.00 0.33 C ATOM 1316 CD1 TYR A 86 15.478 -30.578 5.127 1.00 1.30 C ATOM 1317 CD2 TYR A 86 15.372 -30.167 7.514 1.00 1.22 C ATOM 1318 CE1 TYR A 86 16.772 -31.091 5.272 1.00 1.34 C ATOM 1319 CE2 TYR A 86 16.667 -30.681 7.659 1.00 1.23 C ATOM 1320 CZ TYR A 86 17.366 -31.143 6.538 1.00 0.49 C ATOM 1321 OH TYR A 86 18.640 -31.651 6.680 1.00 0.59 O ATOM 0 H TYR A 86 13.239 -30.709 3.913 1.00 0.28 H new ATOM 0 HA TYR A 86 12.626 -31.521 6.578 1.00 0.27 H new ATOM 0 HB2 TYR A 86 13.341 -28.877 5.246 1.00 0.30 H new ATOM 0 HB3 TYR A 86 13.095 -29.002 6.976 1.00 0.30 H new ATOM 0 HD1 TYR A 86 15.019 -30.538 4.150 1.00 1.30 H new ATOM 0 HD2 TYR A 86 14.832 -29.810 8.379 1.00 1.22 H new ATOM 0 HE1 TYR A 86 17.312 -31.447 4.407 1.00 1.34 H new ATOM 0 HE2 TYR A 86 17.126 -30.721 8.636 1.00 1.23 H new ATOM 0 HH TYR A 86 19.218 -30.974 7.090 1.00 0.59 H new ATOM 1331 N GLN A 87 10.214 -30.084 5.030 1.00 0.26 N ATOM 1332 CA GLN A 87 8.807 -29.636 5.204 1.00 0.30 C ATOM 1333 C GLN A 87 8.091 -30.622 6.134 1.00 0.34 C ATOM 1334 O GLN A 87 7.172 -30.270 6.846 1.00 0.42 O ATOM 1335 CB GLN A 87 8.112 -29.576 3.832 1.00 0.35 C ATOM 1336 CG GLN A 87 7.424 -30.910 3.508 1.00 0.71 C ATOM 1337 CD GLN A 87 5.982 -30.877 4.016 1.00 0.98 C ATOM 1338 OE1 GLN A 87 5.700 -31.324 5.110 1.00 1.97 O ATOM 1339 NE2 GLN A 87 5.049 -30.363 3.261 1.00 1.34 N ATOM 0 H GLN A 87 10.509 -30.238 4.066 1.00 0.26 H new ATOM 0 HA GLN A 87 8.777 -28.640 5.646 1.00 0.30 H new ATOM 0 HB2 GLN A 87 7.376 -28.772 3.827 1.00 0.35 H new ATOM 0 HB3 GLN A 87 8.844 -29.342 3.059 1.00 0.35 H new ATOM 0 HG2 GLN A 87 7.438 -31.087 2.433 1.00 0.71 H new ATOM 0 HG3 GLN A 87 7.966 -31.733 3.973 1.00 0.71 H new ATOM 0 HE21 GLN A 87 5.285 -29.988 2.343 1.00 1.34 H new ATOM 0 HE22 GLN A 87 4.084 -30.337 3.590 1.00 1.34 H new ATOM 1348 N HIS A 88 8.518 -31.855 6.129 1.00 0.35 N ATOM 1349 CA HIS A 88 7.881 -32.874 7.006 1.00 0.44 C ATOM 1350 C HIS A 88 8.935 -33.467 7.945 1.00 0.36 C ATOM 1351 O HIS A 88 8.631 -34.272 8.803 1.00 0.39 O ATOM 1352 CB HIS A 88 7.281 -33.987 6.144 1.00 0.55 C ATOM 1353 CG HIS A 88 8.331 -34.516 5.206 1.00 0.95 C ATOM 1354 ND1 HIS A 88 9.241 -35.488 5.588 1.00 1.89 N ATOM 1355 CD2 HIS A 88 8.628 -34.218 3.899 1.00 1.20 C ATOM 1356 CE1 HIS A 88 10.035 -35.739 4.531 1.00 2.69 C ATOM 1357 NE2 HIS A 88 9.704 -34.992 3.474 1.00 2.30 N ATOM 0 H HIS A 88 9.285 -32.201 5.552 1.00 0.35 H new ATOM 0 HA HIS A 88 7.092 -32.406 7.594 1.00 0.44 H new ATOM 0 HB2 HIS A 88 6.906 -34.791 6.778 1.00 0.55 H new ATOM 0 HB3 HIS A 88 6.431 -33.605 5.578 1.00 0.55 H new ATOM 0 HD1 HIS A 88 9.299 -35.933 6.504 1.00 1.89 H new ATOM 0 HD2 HIS A 88 8.106 -33.493 3.293 1.00 1.20 H new ATOM 0 HE1 HIS A 88 10.842 -36.457 4.536 1.00 2.69 H new ATOM 1365 N THR A 89 10.175 -33.077 7.793 1.00 0.31 N ATOM 1366 CA THR A 89 11.238 -33.625 8.683 1.00 0.29 C ATOM 1367 C THR A 89 11.531 -32.621 9.801 1.00 0.26 C ATOM 1368 O THR A 89 11.500 -31.424 9.597 1.00 0.40 O ATOM 1369 CB THR A 89 12.511 -33.870 7.869 1.00 0.33 C ATOM 1370 OG1 THR A 89 12.158 -34.297 6.560 1.00 0.40 O ATOM 1371 CG2 THR A 89 13.356 -34.948 8.551 1.00 0.40 C ATOM 0 H THR A 89 10.495 -32.406 7.094 1.00 0.31 H new ATOM 0 HA THR A 89 10.900 -34.566 9.117 1.00 0.29 H new ATOM 0 HB THR A 89 13.088 -32.947 7.807 1.00 0.33 H new ATOM 0 HG1 THR A 89 11.774 -33.545 6.063 1.00 0.40 H new ATOM 0 HG21 THR A 89 14.262 -35.122 7.970 1.00 0.40 H new ATOM 0 HG22 THR A 89 13.626 -34.618 9.554 1.00 0.40 H new ATOM 0 HG23 THR A 89 12.783 -35.873 8.615 1.00 0.40 H new ATOM 1379 N SER A 90 11.807 -33.101 10.984 1.00 0.24 N ATOM 1380 CA SER A 90 12.091 -32.177 12.120 1.00 0.22 C ATOM 1381 C SER A 90 13.501 -31.597 11.983 1.00 0.21 C ATOM 1382 O SER A 90 14.404 -32.241 11.489 1.00 0.25 O ATOM 1383 CB SER A 90 11.984 -32.945 13.437 1.00 0.25 C ATOM 1384 OG SER A 90 11.995 -32.025 14.520 1.00 0.31 O ATOM 0 H SER A 90 11.848 -34.094 11.213 1.00 0.24 H new ATOM 0 HA SER A 90 11.367 -31.362 12.108 1.00 0.22 H new ATOM 0 HB2 SER A 90 11.067 -33.534 13.454 1.00 0.25 H new ATOM 0 HB3 SER A 90 12.814 -33.645 13.531 1.00 0.25 H new ATOM 0 HG SER A 90 11.766 -32.494 15.350 1.00 0.31 H new ATOM 1390 N LEU A 91 13.694 -30.382 12.422 1.00 0.21 N ATOM 1391 CA LEU A 91 15.035 -29.753 12.326 1.00 0.22 C ATOM 1392 C LEU A 91 15.710 -29.785 13.703 1.00 0.21 C ATOM 1393 O LEU A 91 16.642 -29.052 13.965 1.00 0.38 O ATOM 1394 CB LEU A 91 14.869 -28.301 11.876 1.00 0.27 C ATOM 1395 CG LEU A 91 14.627 -28.251 10.365 1.00 0.26 C ATOM 1396 CD1 LEU A 91 13.625 -27.139 10.046 1.00 0.28 C ATOM 1397 CD2 LEU A 91 15.945 -27.966 9.641 1.00 0.37 C ATOM 0 H LEU A 91 12.973 -29.798 12.845 1.00 0.21 H new ATOM 0 HA LEU A 91 15.650 -30.296 11.608 1.00 0.22 H new ATOM 0 HB2 LEU A 91 14.033 -27.841 12.403 1.00 0.27 H new ATOM 0 HB3 LEU A 91 15.761 -27.728 12.130 1.00 0.27 H new ATOM 0 HG LEU A 91 14.230 -29.210 10.032 1.00 0.26 H new ATOM 0 HD11 LEU A 91 13.452 -27.103 8.970 1.00 0.28 H new ATOM 0 HD12 LEU A 91 12.684 -27.339 10.558 1.00 0.28 H new ATOM 0 HD13 LEU A 91 14.024 -26.182 10.382 1.00 0.28 H new ATOM 0 HD21 LEU A 91 15.769 -27.931 8.566 1.00 0.37 H new ATOM 0 HD22 LEU A 91 16.344 -27.008 9.975 1.00 0.37 H new ATOM 0 HD23 LEU A 91 16.662 -28.756 9.866 1.00 0.37 H new ATOM 1409 N VAL A 92 15.240 -30.627 14.586 1.00 0.20 N ATOM 1410 CA VAL A 92 15.848 -30.701 15.948 1.00 0.18 C ATOM 1411 C VAL A 92 17.019 -31.684 15.940 1.00 0.21 C ATOM 1412 O VAL A 92 17.878 -31.645 16.799 1.00 0.22 O ATOM 1413 CB VAL A 92 14.798 -31.181 16.951 1.00 0.19 C ATOM 1414 CG1 VAL A 92 14.436 -32.637 16.654 1.00 0.25 C ATOM 1415 CG2 VAL A 92 15.362 -31.075 18.369 1.00 0.23 C ATOM 0 H VAL A 92 14.462 -31.266 14.423 1.00 0.20 H new ATOM 0 HA VAL A 92 16.205 -29.712 16.233 1.00 0.18 H new ATOM 0 HB VAL A 92 13.906 -30.561 16.867 1.00 0.19 H new ATOM 0 HG11 VAL A 92 13.688 -32.979 17.369 1.00 0.25 H new ATOM 0 HG12 VAL A 92 14.034 -32.713 15.644 1.00 0.25 H new ATOM 0 HG13 VAL A 92 15.328 -33.258 16.737 1.00 0.25 H new ATOM 0 HG21 VAL A 92 14.614 -31.417 19.085 1.00 0.23 H new ATOM 0 HG22 VAL A 92 16.255 -31.695 18.453 1.00 0.23 H new ATOM 0 HG23 VAL A 92 15.620 -30.037 18.581 1.00 0.23 H new ATOM 1425 N GLN A 93 17.061 -32.569 14.983 1.00 0.23 N ATOM 1426 CA GLN A 93 18.177 -33.555 14.932 1.00 0.27 C ATOM 1427 C GLN A 93 19.509 -32.835 15.150 1.00 0.27 C ATOM 1428 O GLN A 93 20.483 -33.428 15.571 1.00 0.31 O ATOM 1429 CB GLN A 93 18.187 -34.247 13.567 1.00 0.30 C ATOM 1430 CG GLN A 93 18.768 -35.655 13.714 1.00 0.73 C ATOM 1431 CD GLN A 93 18.189 -36.563 12.628 1.00 1.32 C ATOM 1432 OE1 GLN A 93 17.193 -36.235 12.014 1.00 2.15 O ATOM 1433 NE2 GLN A 93 18.774 -37.699 12.364 1.00 1.96 N ATOM 0 H GLN A 93 16.372 -32.652 14.235 1.00 0.23 H new ATOM 0 HA GLN A 93 18.036 -34.300 15.715 1.00 0.27 H new ATOM 0 HB2 GLN A 93 17.175 -34.300 13.166 1.00 0.30 H new ATOM 0 HB3 GLN A 93 18.780 -33.669 12.859 1.00 0.30 H new ATOM 0 HG2 GLN A 93 19.855 -35.622 13.634 1.00 0.73 H new ATOM 0 HG3 GLN A 93 18.534 -36.055 14.700 1.00 0.73 H new ATOM 0 HE21 GLN A 93 19.610 -37.974 12.880 1.00 1.96 H new ATOM 0 HE22 GLN A 93 18.395 -38.312 11.642 1.00 1.96 H new ATOM 1442 N HIS A 94 19.563 -31.564 14.865 1.00 0.24 N ATOM 1443 CA HIS A 94 20.835 -30.813 15.055 1.00 0.26 C ATOM 1444 C HIS A 94 20.760 -29.980 16.335 1.00 0.24 C ATOM 1445 O HIS A 94 21.754 -29.753 16.996 1.00 0.27 O ATOM 1446 CB HIS A 94 21.069 -29.891 13.857 1.00 0.26 C ATOM 1447 CG HIS A 94 22.400 -30.209 13.234 1.00 0.34 C ATOM 1448 ND1 HIS A 94 23.475 -29.337 13.299 1.00 1.12 N ATOM 1449 CD2 HIS A 94 22.846 -31.302 12.532 1.00 1.14 C ATOM 1450 CE1 HIS A 94 24.505 -29.914 12.653 1.00 0.85 C ATOM 1451 NE2 HIS A 94 24.175 -31.113 12.166 1.00 0.79 N ATOM 0 H HIS A 94 18.782 -31.013 14.509 1.00 0.24 H new ATOM 0 HA HIS A 94 21.660 -31.521 15.136 1.00 0.26 H new ATOM 0 HB2 HIS A 94 20.272 -30.019 13.124 1.00 0.26 H new ATOM 0 HB3 HIS A 94 21.044 -28.849 14.176 1.00 0.26 H new ATOM 0 HD2 HIS A 94 22.255 -32.175 12.299 1.00 1.14 H new ATOM 0 HE1 HIS A 94 25.480 -29.462 12.542 1.00 0.85 H new ATOM 0 HE2 HIS A 94 24.770 -31.753 11.639 1.00 0.79 H new ATOM 1459 N ASN A 95 19.594 -29.521 16.691 1.00 0.20 N ATOM 1460 CA ASN A 95 19.467 -28.703 17.930 1.00 0.20 C ATOM 1461 C ASN A 95 18.224 -29.137 18.710 1.00 0.22 C ATOM 1462 O ASN A 95 17.143 -29.237 18.166 1.00 0.36 O ATOM 1463 CB ASN A 95 19.345 -27.225 17.553 1.00 0.19 C ATOM 1464 CG ASN A 95 20.731 -26.660 17.248 1.00 0.21 C ATOM 1465 OD1 ASN A 95 21.569 -26.564 18.123 1.00 0.26 O ATOM 1466 ND2 ASN A 95 21.009 -26.281 16.032 1.00 0.23 N ATOM 0 H ASN A 95 18.725 -29.676 16.180 1.00 0.20 H new ATOM 0 HA ASN A 95 20.350 -28.849 18.552 1.00 0.20 H new ATOM 0 HB2 ASN A 95 18.696 -27.113 16.685 1.00 0.19 H new ATOM 0 HB3 ASN A 95 18.885 -26.668 18.369 1.00 0.19 H new ATOM 0 HD21 ASN A 95 21.931 -25.903 15.814 1.00 0.23 H new ATOM 0 HD22 ASN A 95 20.305 -26.362 15.299 1.00 0.23 H new ATOM 1473 N ASP A 96 18.371 -29.395 19.981 1.00 0.24 N ATOM 1474 CA ASP A 96 17.200 -29.823 20.798 1.00 0.25 C ATOM 1475 C ASP A 96 16.292 -28.620 21.068 1.00 0.24 C ATOM 1476 O ASP A 96 15.263 -28.739 21.703 1.00 0.28 O ATOM 1477 CB ASP A 96 17.691 -30.398 22.129 1.00 0.32 C ATOM 1478 CG ASP A 96 18.937 -31.251 21.888 1.00 1.45 C ATOM 1479 OD1 ASP A 96 18.867 -32.148 21.063 1.00 2.19 O ATOM 1480 OD2 ASP A 96 19.941 -30.993 22.532 1.00 2.27 O ATOM 0 H ASP A 96 19.253 -29.328 20.489 1.00 0.24 H new ATOM 0 HA ASP A 96 16.640 -30.584 20.255 1.00 0.25 H new ATOM 0 HB2 ASP A 96 17.919 -29.590 22.824 1.00 0.32 H new ATOM 0 HB3 ASP A 96 16.908 -31.001 22.588 1.00 0.32 H new ATOM 1485 N SER A 97 16.661 -27.464 20.589 1.00 0.24 N ATOM 1486 CA SER A 97 15.814 -26.260 20.817 1.00 0.27 C ATOM 1487 C SER A 97 15.190 -25.828 19.491 1.00 0.25 C ATOM 1488 O SER A 97 14.710 -24.721 19.348 1.00 0.31 O ATOM 1489 CB SER A 97 16.677 -25.125 21.370 1.00 0.31 C ATOM 1490 OG SER A 97 17.734 -25.674 22.145 1.00 1.35 O ATOM 0 H SER A 97 17.512 -27.301 20.050 1.00 0.24 H new ATOM 0 HA SER A 97 15.027 -26.495 21.533 1.00 0.27 H new ATOM 0 HB2 SER A 97 17.082 -24.529 20.552 1.00 0.31 H new ATOM 0 HB3 SER A 97 16.071 -24.457 21.982 1.00 0.31 H new ATOM 0 HG SER A 97 18.290 -24.949 22.500 1.00 1.35 H new ATOM 1496 N LEU A 98 15.197 -26.697 18.518 1.00 0.19 N ATOM 1497 CA LEU A 98 14.609 -26.344 17.197 1.00 0.18 C ATOM 1498 C LEU A 98 13.287 -27.087 17.013 1.00 0.20 C ATOM 1499 O LEU A 98 12.219 -26.528 17.164 1.00 0.29 O ATOM 1500 CB LEU A 98 15.584 -26.746 16.088 1.00 0.15 C ATOM 1501 CG LEU A 98 16.767 -25.778 16.079 1.00 0.17 C ATOM 1502 CD1 LEU A 98 17.654 -26.065 14.867 1.00 0.17 C ATOM 1503 CD2 LEU A 98 16.248 -24.340 15.999 1.00 0.26 C ATOM 0 H LEU A 98 15.586 -27.638 18.582 1.00 0.19 H new ATOM 0 HA LEU A 98 14.427 -25.270 17.151 1.00 0.18 H new ATOM 0 HB2 LEU A 98 15.935 -27.765 16.249 1.00 0.15 H new ATOM 0 HB3 LEU A 98 15.080 -26.731 15.122 1.00 0.15 H new ATOM 0 HG LEU A 98 17.347 -25.907 16.993 1.00 0.17 H new ATOM 0 HD11 LEU A 98 18.497 -25.374 14.861 1.00 0.17 H new ATOM 0 HD12 LEU A 98 18.024 -27.089 14.921 1.00 0.17 H new ATOM 0 HD13 LEU A 98 17.074 -25.937 13.953 1.00 0.17 H new ATOM 0 HD21 LEU A 98 17.091 -23.649 15.993 1.00 0.26 H new ATOM 0 HD22 LEU A 98 15.668 -24.213 15.085 1.00 0.26 H new ATOM 0 HD23 LEU A 98 15.616 -24.133 16.862 1.00 0.26 H new ATOM 1515 N ASN A 99 13.353 -28.344 16.687 1.00 0.18 N ATOM 1516 CA ASN A 99 12.106 -29.134 16.489 1.00 0.21 C ATOM 1517 C ASN A 99 11.153 -28.355 15.587 1.00 0.19 C ATOM 1518 O ASN A 99 9.951 -28.368 15.770 1.00 0.24 O ATOM 1519 CB ASN A 99 11.446 -29.388 17.845 1.00 0.27 C ATOM 1520 CG ASN A 99 10.116 -30.117 17.641 1.00 0.31 C ATOM 1521 OD1 ASN A 99 9.816 -30.564 16.552 1.00 0.95 O ATOM 1522 ND2 ASN A 99 9.300 -30.256 18.650 1.00 1.16 N ATOM 0 H ASN A 99 14.220 -28.863 16.548 1.00 0.18 H new ATOM 0 HA ASN A 99 12.345 -30.089 16.021 1.00 0.21 H new ATOM 0 HB2 ASN A 99 12.106 -29.984 18.476 1.00 0.27 H new ATOM 0 HB3 ASN A 99 11.279 -28.443 18.362 1.00 0.27 H new ATOM 0 HD21 ASN A 99 8.411 -30.740 18.524 1.00 1.16 H new ATOM 0 HD22 ASN A 99 9.551 -29.881 19.565 1.00 1.16 H new ATOM 1529 N VAL A 100 11.683 -27.676 14.611 1.00 0.17 N ATOM 1530 CA VAL A 100 10.825 -26.894 13.690 1.00 0.17 C ATOM 1531 C VAL A 100 10.947 -27.463 12.277 1.00 0.19 C ATOM 1532 O VAL A 100 11.816 -28.264 11.993 1.00 0.23 O ATOM 1533 CB VAL A 100 11.286 -25.441 13.696 1.00 0.18 C ATOM 1534 CG1 VAL A 100 10.706 -24.727 14.916 1.00 0.19 C ATOM 1535 CG2 VAL A 100 12.814 -25.393 13.758 1.00 0.20 C ATOM 0 H VAL A 100 12.682 -27.631 14.413 1.00 0.17 H new ATOM 0 HA VAL A 100 9.786 -26.951 14.013 1.00 0.17 H new ATOM 0 HB VAL A 100 10.942 -24.947 12.788 1.00 0.18 H new ATOM 0 HG11 VAL A 100 11.036 -23.688 14.920 1.00 0.19 H new ATOM 0 HG12 VAL A 100 9.617 -24.762 14.875 1.00 0.19 H new ATOM 0 HG13 VAL A 100 11.051 -25.221 15.825 1.00 0.19 H new ATOM 0 HG21 VAL A 100 13.146 -24.355 13.762 1.00 0.20 H new ATOM 0 HG22 VAL A 100 13.157 -25.887 14.667 1.00 0.20 H new ATOM 0 HG23 VAL A 100 13.230 -25.903 12.889 1.00 0.20 H new ATOM 1545 N THR A 101 10.084 -27.057 11.390 1.00 0.19 N ATOM 1546 CA THR A 101 10.149 -27.576 9.996 1.00 0.23 C ATOM 1547 C THR A 101 9.454 -26.590 9.057 1.00 0.22 C ATOM 1548 O THR A 101 8.731 -25.714 9.488 1.00 0.32 O ATOM 1549 CB THR A 101 9.442 -28.932 9.924 1.00 0.28 C ATOM 1550 OG1 THR A 101 8.041 -28.740 10.060 1.00 0.32 O ATOM 1551 CG2 THR A 101 9.947 -29.834 11.050 1.00 0.34 C ATOM 0 H THR A 101 9.336 -26.388 11.570 1.00 0.19 H new ATOM 0 HA THR A 101 11.191 -27.693 9.698 1.00 0.23 H new ATOM 0 HB THR A 101 9.654 -29.402 8.964 1.00 0.28 H new ATOM 0 HG1 THR A 101 7.586 -29.607 10.012 1.00 0.32 H new ATOM 0 HG21 THR A 101 9.443 -30.799 10.997 1.00 0.34 H new ATOM 0 HG22 THR A 101 11.022 -29.980 10.945 1.00 0.34 H new ATOM 0 HG23 THR A 101 9.737 -29.367 12.012 1.00 0.34 H new ATOM 1559 N LEU A 102 9.659 -26.729 7.776 1.00 0.17 N ATOM 1560 CA LEU A 102 8.999 -25.801 6.817 1.00 0.16 C ATOM 1561 C LEU A 102 7.571 -26.284 6.564 1.00 0.18 C ATOM 1562 O LEU A 102 7.261 -26.816 5.516 1.00 0.23 O ATOM 1563 CB LEU A 102 9.775 -25.777 5.491 1.00 0.16 C ATOM 1564 CG LEU A 102 11.292 -25.699 5.739 1.00 0.18 C ATOM 1565 CD1 LEU A 102 11.596 -24.964 7.051 1.00 0.20 C ATOM 1566 CD2 LEU A 102 11.863 -27.114 5.804 1.00 0.23 C ATOM 0 H LEU A 102 10.253 -27.443 7.354 1.00 0.17 H new ATOM 0 HA LEU A 102 8.984 -24.795 7.236 1.00 0.16 H new ATOM 0 HB2 LEU A 102 9.543 -26.672 4.914 1.00 0.16 H new ATOM 0 HB3 LEU A 102 9.456 -24.922 4.895 1.00 0.16 H new ATOM 0 HG LEU A 102 11.752 -25.145 4.920 1.00 0.18 H new ATOM 0 HD11 LEU A 102 12.675 -24.922 7.203 1.00 0.20 H new ATOM 0 HD12 LEU A 102 11.197 -23.951 7.001 1.00 0.20 H new ATOM 0 HD13 LEU A 102 11.133 -25.496 7.882 1.00 0.20 H new ATOM 0 HD21 LEU A 102 12.938 -27.065 5.980 1.00 0.23 H new ATOM 0 HD22 LEU A 102 11.387 -27.661 6.618 1.00 0.23 H new ATOM 0 HD23 LEU A 102 11.672 -27.627 4.861 1.00 0.23 H new ATOM 1578 N ALA A 103 6.699 -26.106 7.518 1.00 0.18 N ATOM 1579 CA ALA A 103 5.292 -26.558 7.333 1.00 0.22 C ATOM 1580 C ALA A 103 4.426 -25.363 6.945 1.00 0.20 C ATOM 1581 O ALA A 103 3.352 -25.512 6.396 1.00 0.25 O ATOM 1582 CB ALA A 103 4.774 -27.163 8.638 1.00 0.27 C ATOM 0 H ALA A 103 6.900 -25.667 8.417 1.00 0.18 H new ATOM 0 HA ALA A 103 5.250 -27.310 6.545 1.00 0.22 H new ATOM 0 HB1 ALA A 103 3.744 -27.494 8.502 1.00 0.27 H new ATOM 0 HB2 ALA A 103 5.395 -28.015 8.916 1.00 0.27 H new ATOM 0 HB3 ALA A 103 4.813 -26.413 9.428 1.00 0.27 H new ATOM 1588 N TYR A 104 4.887 -24.177 7.224 1.00 0.15 N ATOM 1589 CA TYR A 104 4.093 -22.971 6.871 1.00 0.15 C ATOM 1590 C TYR A 104 4.935 -22.054 5.971 1.00 0.14 C ATOM 1591 O TYR A 104 6.033 -21.677 6.333 1.00 0.14 O ATOM 1592 CB TYR A 104 3.712 -22.222 8.149 1.00 0.16 C ATOM 1593 CG TYR A 104 2.777 -23.076 8.971 1.00 0.16 C ATOM 1594 CD1 TYR A 104 1.400 -23.045 8.722 1.00 1.16 C ATOM 1595 CD2 TYR A 104 3.288 -23.900 9.981 1.00 1.13 C ATOM 1596 CE1 TYR A 104 0.533 -23.838 9.484 1.00 1.15 C ATOM 1597 CE2 TYR A 104 2.421 -24.692 10.742 1.00 1.15 C ATOM 1598 CZ TYR A 104 1.044 -24.661 10.494 1.00 0.27 C ATOM 1599 OH TYR A 104 0.189 -25.443 11.245 1.00 0.33 O ATOM 0 H TYR A 104 5.780 -23.991 7.681 1.00 0.15 H new ATOM 0 HA TYR A 104 3.188 -23.270 6.342 1.00 0.15 H new ATOM 0 HB2 TYR A 104 4.606 -21.985 8.725 1.00 0.16 H new ATOM 0 HB3 TYR A 104 3.233 -21.275 7.900 1.00 0.16 H new ATOM 0 HD1 TYR A 104 1.006 -22.410 7.942 1.00 1.16 H new ATOM 0 HD2 TYR A 104 4.351 -23.924 10.173 1.00 1.13 H new ATOM 0 HE1 TYR A 104 -0.530 -23.814 9.292 1.00 1.15 H new ATOM 0 HE2 TYR A 104 2.815 -25.328 11.521 1.00 1.15 H new ATOM 0 HH TYR A 104 0.706 -25.955 11.902 1.00 0.33 H new ATOM 1609 N PRO A 105 4.394 -21.719 4.825 1.00 0.17 N ATOM 1610 CA PRO A 105 5.076 -20.844 3.856 1.00 0.19 C ATOM 1611 C PRO A 105 5.042 -19.390 4.341 1.00 0.21 C ATOM 1612 O PRO A 105 3.993 -18.812 4.540 1.00 0.24 O ATOM 1613 CB PRO A 105 4.265 -21.029 2.569 1.00 0.23 C ATOM 1614 CG PRO A 105 2.872 -21.538 3.003 1.00 0.24 C ATOM 1615 CD PRO A 105 3.057 -22.173 4.392 1.00 0.21 C ATOM 0 HA PRO A 105 6.129 -21.087 3.716 1.00 0.19 H new ATOM 0 HB2 PRO A 105 4.183 -20.089 2.023 1.00 0.23 H new ATOM 0 HB3 PRO A 105 4.750 -21.743 1.903 1.00 0.23 H new ATOM 0 HG2 PRO A 105 2.154 -20.719 3.043 1.00 0.24 H new ATOM 0 HG3 PRO A 105 2.485 -22.267 2.291 1.00 0.24 H new ATOM 0 HD2 PRO A 105 2.282 -21.846 5.085 1.00 0.21 H new ATOM 0 HD3 PRO A 105 3.003 -23.261 4.343 1.00 0.21 H new ATOM 1623 N VAL A 106 6.192 -18.807 4.543 1.00 0.22 N ATOM 1624 CA VAL A 106 6.258 -17.402 5.028 1.00 0.26 C ATOM 1625 C VAL A 106 5.260 -16.521 4.266 1.00 0.34 C ATOM 1626 O VAL A 106 4.522 -15.758 4.857 1.00 0.42 O ATOM 1627 CB VAL A 106 7.674 -16.877 4.811 1.00 0.23 C ATOM 1628 CG1 VAL A 106 8.097 -17.145 3.366 1.00 0.26 C ATOM 1629 CG2 VAL A 106 7.710 -15.375 5.079 1.00 0.28 C ATOM 0 H VAL A 106 7.098 -19.251 4.391 1.00 0.22 H new ATOM 0 HA VAL A 106 6.002 -17.374 6.087 1.00 0.26 H new ATOM 0 HB VAL A 106 8.357 -17.383 5.493 1.00 0.23 H new ATOM 0 HG11 VAL A 106 9.108 -16.771 3.208 1.00 0.26 H new ATOM 0 HG12 VAL A 106 8.072 -18.217 3.173 1.00 0.26 H new ATOM 0 HG13 VAL A 106 7.412 -16.638 2.686 1.00 0.26 H new ATOM 0 HG21 VAL A 106 8.722 -15.002 4.924 1.00 0.28 H new ATOM 0 HG22 VAL A 106 7.027 -14.867 4.397 1.00 0.28 H new ATOM 0 HG23 VAL A 106 7.406 -15.182 6.108 1.00 0.28 H new ATOM 1639 N TYR A 107 5.232 -16.612 2.964 1.00 0.36 N ATOM 1640 CA TYR A 107 4.281 -15.767 2.183 1.00 0.45 C ATOM 1641 C TYR A 107 3.051 -16.594 1.811 1.00 0.65 C ATOM 1642 O TYR A 107 2.027 -16.067 1.422 1.00 0.90 O ATOM 1643 CB TYR A 107 4.967 -15.273 0.909 1.00 0.45 C ATOM 1644 CG TYR A 107 5.892 -14.131 1.250 1.00 0.40 C ATOM 1645 CD1 TYR A 107 5.365 -12.867 1.538 1.00 1.30 C ATOM 1646 CD2 TYR A 107 7.277 -14.336 1.280 1.00 1.17 C ATOM 1647 CE1 TYR A 107 6.222 -11.808 1.856 1.00 1.34 C ATOM 1648 CE2 TYR A 107 8.134 -13.277 1.598 1.00 1.19 C ATOM 1649 CZ TYR A 107 7.607 -12.013 1.886 1.00 0.56 C ATOM 1650 OH TYR A 107 8.453 -10.969 2.200 1.00 0.70 O ATOM 0 H TYR A 107 5.823 -17.231 2.409 1.00 0.36 H new ATOM 0 HA TYR A 107 3.975 -14.912 2.786 1.00 0.45 H new ATOM 0 HB2 TYR A 107 5.528 -16.085 0.447 1.00 0.45 H new ATOM 0 HB3 TYR A 107 4.221 -14.948 0.184 1.00 0.45 H new ATOM 0 HD1 TYR A 107 4.297 -12.709 1.515 1.00 1.30 H new ATOM 0 HD2 TYR A 107 7.683 -15.312 1.058 1.00 1.17 H new ATOM 0 HE1 TYR A 107 5.816 -10.832 2.078 1.00 1.34 H new ATOM 0 HE2 TYR A 107 9.202 -13.435 1.621 1.00 1.19 H new ATOM 0 HH TYR A 107 9.381 -11.282 2.177 1.00 0.70 H new ATOM 1660 N ALA A 108 3.144 -17.886 1.934 1.00 0.80 N ATOM 1661 CA ALA A 108 1.984 -18.759 1.597 1.00 1.01 C ATOM 1662 C ALA A 108 1.335 -18.282 0.297 1.00 1.46 C ATOM 1663 O ALA A 108 1.892 -17.486 -0.434 1.00 1.94 O ATOM 1664 CB ALA A 108 0.959 -18.699 2.731 1.00 1.34 C ATOM 0 H ALA A 108 3.977 -18.379 2.255 1.00 0.80 H new ATOM 0 HA ALA A 108 2.330 -19.785 1.469 1.00 1.01 H new ATOM 0 HB1 ALA A 108 0.109 -19.337 2.487 1.00 1.34 H new ATOM 0 HB2 ALA A 108 1.419 -19.046 3.656 1.00 1.34 H new ATOM 0 HB3 ALA A 108 0.617 -17.672 2.858 1.00 1.34 H new ATOM 1670 N GLN A 109 0.160 -18.769 0.001 1.00 1.96 N ATOM 1671 CA GLN A 109 -0.529 -18.352 -1.252 1.00 2.52 C ATOM 1672 C GLN A 109 -1.807 -19.176 -1.428 1.00 3.03 C ATOM 1673 O GLN A 109 -2.096 -19.670 -2.500 1.00 3.47 O ATOM 1674 CB GLN A 109 0.397 -18.593 -2.446 1.00 3.22 C ATOM 1675 CG GLN A 109 0.854 -17.250 -3.021 1.00 3.88 C ATOM 1676 CD GLN A 109 -0.267 -16.652 -3.873 1.00 4.88 C ATOM 1677 OE1 GLN A 109 -0.889 -15.683 -3.485 1.00 5.51 O ATOM 1678 NE2 GLN A 109 -0.553 -17.192 -5.026 1.00 5.40 N ATOM 0 H GLN A 109 -0.353 -19.439 0.575 1.00 1.96 H new ATOM 0 HA GLN A 109 -0.782 -17.293 -1.193 1.00 2.52 H new ATOM 0 HB2 GLN A 109 1.261 -19.180 -2.136 1.00 3.22 H new ATOM 0 HB3 GLN A 109 -0.122 -19.170 -3.211 1.00 3.22 H new ATOM 0 HG2 GLN A 109 1.115 -16.566 -2.213 1.00 3.88 H new ATOM 0 HG3 GLN A 109 1.751 -17.387 -3.625 1.00 3.88 H new ATOM 0 HE21 GLN A 109 -0.031 -18.005 -5.352 1.00 5.40 H new ATOM 0 HE22 GLN A 109 -1.299 -16.801 -5.602 1.00 5.40 H new ATOM 1687 N GLN A 110 -2.574 -19.332 -0.384 1.00 3.53 N ATOM 1688 CA GLN A 110 -3.830 -20.126 -0.496 1.00 4.38 C ATOM 1689 C GLN A 110 -4.993 -19.193 -0.836 1.00 4.86 C ATOM 1690 O GLN A 110 -6.147 -19.560 -0.733 1.00 5.61 O ATOM 1691 CB GLN A 110 -4.109 -20.826 0.836 1.00 4.97 C ATOM 1692 CG GLN A 110 -3.159 -22.016 0.996 1.00 5.39 C ATOM 1693 CD GLN A 110 -3.772 -23.253 0.335 1.00 6.02 C ATOM 1694 OE1 GLN A 110 -4.914 -23.584 0.582 1.00 6.38 O ATOM 1695 NE2 GLN A 110 -3.054 -23.954 -0.499 1.00 6.53 N ATOM 0 H GLN A 110 -2.386 -18.945 0.541 1.00 3.53 H new ATOM 0 HA GLN A 110 -3.721 -20.872 -1.283 1.00 4.38 H new ATOM 0 HB2 GLN A 110 -3.975 -20.127 1.661 1.00 4.97 H new ATOM 0 HB3 GLN A 110 -5.144 -21.166 0.871 1.00 4.97 H new ATOM 0 HG2 GLN A 110 -2.195 -21.788 0.542 1.00 5.39 H new ATOM 0 HG3 GLN A 110 -2.976 -22.209 2.053 1.00 5.39 H new ATOM 0 HE21 GLN A 110 -2.095 -23.675 -0.706 1.00 6.53 H new ATOM 0 HE22 GLN A 110 -3.452 -24.781 -0.944 1.00 6.53 H new ATOM 1704 N ARG A 111 -4.699 -17.988 -1.240 1.00 4.78 N ATOM 1705 CA ARG A 111 -5.789 -17.033 -1.584 1.00 5.57 C ATOM 1706 C ARG A 111 -5.781 -16.764 -3.090 1.00 5.94 C ATOM 1707 O ARG A 111 -6.368 -17.495 -3.863 1.00 6.54 O ATOM 1708 CB ARG A 111 -5.573 -15.722 -0.826 1.00 5.87 C ATOM 1709 CG ARG A 111 -6.548 -14.663 -1.344 1.00 6.45 C ATOM 1710 CD ARG A 111 -7.282 -14.027 -0.163 1.00 7.12 C ATOM 1711 NE ARG A 111 -8.689 -14.519 -0.127 1.00 7.63 N ATOM 1712 CZ ARG A 111 -9.507 -14.092 0.796 1.00 8.32 C ATOM 1713 NH1 ARG A 111 -9.053 -13.396 1.803 1.00 8.86 N ATOM 1714 NH2 ARG A 111 -10.782 -14.361 0.713 1.00 8.69 N ATOM 0 H ARG A 111 -3.752 -17.624 -1.347 1.00 4.78 H new ATOM 0 HA ARG A 111 -6.750 -17.462 -1.302 1.00 5.57 H new ATOM 0 HB2 ARG A 111 -5.724 -15.879 0.242 1.00 5.87 H new ATOM 0 HB3 ARG A 111 -4.546 -15.380 -0.956 1.00 5.87 H new ATOM 0 HG2 ARG A 111 -6.009 -13.900 -1.905 1.00 6.45 H new ATOM 0 HG3 ARG A 111 -7.264 -15.116 -2.030 1.00 6.45 H new ATOM 0 HD2 ARG A 111 -6.775 -14.275 0.770 1.00 7.12 H new ATOM 0 HD3 ARG A 111 -7.268 -12.941 -0.255 1.00 7.12 H new ATOM 0 HE ARG A 111 -9.012 -15.190 -0.824 1.00 7.63 H new ATOM 0 HH11 ARG A 111 -8.057 -13.185 1.869 1.00 8.86 H new ATOM 0 HH12 ARG A 111 -9.694 -13.063 2.523 1.00 8.86 H new ATOM 0 HH21 ARG A 111 -11.138 -14.905 -0.073 1.00 8.69 H new ATOM 0 HH22 ARG A 111 -11.422 -14.027 1.434 1.00 8.69 H new ATOM 1728 N ARG A 112 -5.124 -15.720 -3.514 1.00 5.97 N ATOM 1729 CA ARG A 112 -5.087 -15.406 -4.968 1.00 6.72 C ATOM 1730 C ARG A 112 -4.029 -14.333 -5.233 1.00 6.83 C ATOM 1731 O ARG A 112 -4.073 -13.736 -6.296 1.00 6.82 O ATOM 1732 CB ARG A 112 -6.459 -14.894 -5.409 1.00 7.18 C ATOM 1733 CG ARG A 112 -7.300 -16.070 -5.908 1.00 7.69 C ATOM 1734 CD ARG A 112 -8.261 -15.587 -6.995 1.00 8.31 C ATOM 1735 NE ARG A 112 -9.587 -15.279 -6.386 1.00 8.88 N ATOM 1736 CZ ARG A 112 -10.388 -16.250 -6.038 1.00 9.48 C ATOM 1737 NH1 ARG A 112 -10.885 -17.044 -6.947 1.00 9.82 N ATOM 1738 NH2 ARG A 112 -10.694 -16.426 -4.780 1.00 9.96 N ATOM 1739 OXT ARG A 112 -3.192 -14.127 -4.370 1.00 7.21 O ATOM 0 H ARG A 112 -4.612 -15.072 -2.916 1.00 5.97 H new ATOM 0 HA ARG A 112 -4.836 -16.305 -5.530 1.00 6.72 H new ATOM 0 HB2 ARG A 112 -6.961 -14.400 -4.577 1.00 7.18 H new ATOM 0 HB3 ARG A 112 -6.346 -14.151 -6.199 1.00 7.18 H new ATOM 0 HG2 ARG A 112 -6.652 -16.852 -6.303 1.00 7.69 H new ATOM 0 HG3 ARG A 112 -7.860 -16.507 -5.081 1.00 7.69 H new ATOM 0 HD2 ARG A 112 -7.858 -14.700 -7.483 1.00 8.31 H new ATOM 0 HD3 ARG A 112 -8.371 -16.352 -7.764 1.00 8.31 H new ATOM 0 HE ARG A 112 -9.868 -14.309 -6.241 1.00 8.88 H new ATOM 0 HH11 ARG A 112 -10.648 -16.906 -7.929 1.00 9.82 H new ATOM 0 HH12 ARG A 112 -11.511 -17.802 -6.675 1.00 9.82 H new ATOM 0 HH21 ARG A 112 -10.307 -15.805 -4.069 1.00 9.96 H new ATOM 0 HH22 ARG A 112 -11.320 -17.184 -4.509 1.00 9.96 H new TER 1753 ARG A 112 HETATM 1754 C ACE B 200 21.609 -17.606 13.393 1.00 0.51 C HETATM 1755 O ACE B 200 20.804 -18.512 13.483 1.00 1.15 O HETATM 1756 CH3 ACE B 200 21.539 -16.387 14.315 1.00 0.44 C HETATM 0 H1 ACE B 200 22.464 -16.310 14.887 1.00 0.44 H new HETATM 0 H2 ACE B 200 21.406 -15.486 13.717 1.00 0.44 H new HETATM 0 H3 ACE B 200 20.698 -16.496 14.999 1.00 0.44 H new HETATM 1760 N PTR B 201 22.567 -17.637 12.506 1.00 0.35 N HETATM 1761 CA PTR B 201 22.688 -18.799 11.581 1.00 0.26 C HETATM 1762 C PTR B 201 22.713 -20.094 12.390 1.00 0.27 C HETATM 1763 O PTR B 201 23.720 -20.463 12.963 1.00 0.40 O HETATM 1764 CB PTR B 201 23.974 -18.666 10.768 1.00 0.23 C HETATM 1765 CG PTR B 201 23.866 -17.450 9.883 1.00 0.27 C HETATM 1766 CD1 PTR B 201 22.764 -17.307 9.032 1.00 0.31 C HETATM 1767 CD2 PTR B 201 24.858 -16.464 9.917 1.00 0.44 C HETATM 1768 CE1 PTR B 201 22.653 -16.177 8.214 1.00 0.37 C HETATM 1769 CE2 PTR B 201 24.748 -15.334 9.098 1.00 0.49 C HETATM 1770 CZ PTR B 201 23.645 -15.190 8.246 1.00 0.41 C HETATM 1771 OH PTR B 201 23.537 -14.077 7.439 1.00 0.50 O HETATM 1772 P PTR B 201 23.257 -12.629 8.094 1.00 0.51 P HETATM 1773 O1P PTR B 201 24.491 -12.203 9.031 1.00 1.66 O HETATM 1774 O2P PTR B 201 21.902 -12.701 8.968 1.00 1.62 O HETATM 1775 O3P PTR B 201 23.105 -11.524 6.938 1.00 1.65 O HETATM 0 HE2 PTR B 201 25.521 -14.566 9.123 1.00 0.49 H new HETATM 0 HE1 PTR B 201 21.794 -16.065 7.552 1.00 0.37 H new HETATM 0 HD2 PTR B 201 25.716 -16.576 10.580 1.00 0.44 H new HETATM 0 HD1 PTR B 201 21.992 -18.076 9.006 1.00 0.31 H new HETATM 0 HB3 PTR B 201 24.833 -18.574 11.433 1.00 0.23 H new HETATM 0 HB2 PTR B 201 24.133 -19.559 10.164 1.00 0.23 H new HETATM 0 HA PTR B 201 21.835 -18.820 10.903 1.00 0.26 H new ATOM 1784 N VAL B 202 21.607 -20.782 12.447 1.00 0.19 N ATOM 1785 CA VAL B 202 21.555 -22.050 13.225 1.00 0.20 C ATOM 1786 C VAL B 202 21.903 -23.228 12.305 1.00 0.22 C ATOM 1787 O VAL B 202 21.479 -23.266 11.167 1.00 0.23 O ATOM 1788 CB VAL B 202 20.142 -22.235 13.782 1.00 0.18 C ATOM 1789 CG1 VAL B 202 20.179 -23.203 14.966 1.00 0.22 C ATOM 1790 CG2 VAL B 202 19.597 -20.879 14.243 1.00 0.20 C ATOM 0 H VAL B 202 20.735 -20.520 11.987 1.00 0.19 H new ATOM 0 HA VAL B 202 22.271 -22.010 14.046 1.00 0.20 H new ATOM 0 HB VAL B 202 19.495 -22.643 13.005 1.00 0.18 H new ATOM 0 HG11 VAL B 202 19.172 -23.333 15.361 1.00 0.22 H new ATOM 0 HG12 VAL B 202 20.567 -24.167 14.636 1.00 0.22 H new ATOM 0 HG13 VAL B 202 20.825 -22.800 15.746 1.00 0.22 H new ATOM 0 HG21 VAL B 202 18.590 -21.008 14.640 1.00 0.20 H new ATOM 0 HG22 VAL B 202 20.244 -20.472 15.020 1.00 0.20 H new ATOM 0 HG23 VAL B 202 19.568 -20.192 13.397 1.00 0.20 H new ATOM 1800 N PRO B 203 22.666 -24.157 12.827 1.00 0.25 N ATOM 1801 CA PRO B 203 23.090 -25.352 12.074 1.00 0.29 C ATOM 1802 C PRO B 203 21.956 -26.380 12.023 1.00 0.27 C ATOM 1803 O PRO B 203 21.356 -26.707 13.028 1.00 0.37 O ATOM 1804 CB PRO B 203 24.273 -25.886 12.887 1.00 0.34 C ATOM 1805 CG PRO B 203 24.105 -25.329 14.321 1.00 0.33 C ATOM 1806 CD PRO B 203 23.178 -24.104 14.212 1.00 0.27 C ATOM 0 HA PRO B 203 23.353 -25.137 11.038 1.00 0.29 H new ATOM 0 HB2 PRO B 203 24.280 -26.976 12.892 1.00 0.34 H new ATOM 0 HB3 PRO B 203 25.219 -25.563 12.453 1.00 0.34 H new ATOM 0 HG2 PRO B 203 23.675 -26.082 14.981 1.00 0.33 H new ATOM 0 HG3 PRO B 203 25.070 -25.048 14.743 1.00 0.33 H new ATOM 0 HD2 PRO B 203 22.367 -24.153 14.938 1.00 0.27 H new ATOM 0 HD3 PRO B 203 23.719 -23.177 14.401 1.00 0.27 H new ATOM 1814 N MET B 204 21.660 -26.891 10.860 1.00 0.37 N ATOM 1815 CA MET B 204 20.568 -27.897 10.745 1.00 0.37 C ATOM 1816 C MET B 204 21.171 -29.264 10.414 1.00 0.42 C ATOM 1817 O MET B 204 22.362 -29.395 10.215 1.00 0.55 O ATOM 1818 CB MET B 204 19.606 -27.480 9.631 1.00 0.41 C ATOM 1819 CG MET B 204 19.189 -26.022 9.835 1.00 0.48 C ATOM 1820 SD MET B 204 18.294 -25.863 11.400 1.00 0.62 S ATOM 1821 CE MET B 204 16.897 -24.901 10.769 1.00 0.75 C ATOM 0 H MET B 204 22.127 -26.655 9.985 1.00 0.37 H new ATOM 0 HA MET B 204 20.026 -27.957 11.689 1.00 0.37 H new ATOM 0 HB2 MET B 204 20.085 -27.600 8.659 1.00 0.41 H new ATOM 0 HB3 MET B 204 18.727 -28.125 9.635 1.00 0.41 H new ATOM 0 HG2 MET B 204 20.069 -25.378 9.840 1.00 0.48 H new ATOM 0 HG3 MET B 204 18.559 -25.694 9.008 1.00 0.48 H new ATOM 0 HE1 MET B 204 16.481 -24.294 11.573 1.00 0.75 H new ATOM 0 HE2 MET B 204 17.237 -24.252 9.962 1.00 0.75 H new ATOM 0 HE3 MET B 204 16.130 -25.578 10.391 1.00 0.75 H new ATOM 1831 N LEU B 205 20.359 -30.283 10.354 1.00 0.43 N ATOM 1832 CA LEU B 205 20.888 -31.640 10.036 1.00 0.49 C ATOM 1833 C LEU B 205 20.928 -31.830 8.519 1.00 0.75 C ATOM 1834 O LEU B 205 21.355 -32.887 8.086 1.00 1.24 O ATOM 1835 CB LEU B 205 19.979 -32.702 10.658 1.00 0.73 C ATOM 1836 CG LEU B 205 18.517 -32.353 10.375 1.00 0.53 C ATOM 1837 CD1 LEU B 205 17.738 -33.631 10.058 1.00 1.21 C ATOM 1838 CD2 LEU B 205 17.907 -31.680 11.607 1.00 1.35 C ATOM 1839 OXT LEU B 205 20.531 -30.915 7.817 1.00 1.55 O ATOM 0 H LEU B 205 19.352 -30.235 10.511 1.00 0.43 H new ATOM 0 HA LEU B 205 21.895 -31.740 10.442 1.00 0.49 H new ATOM 0 HB2 LEU B 205 20.215 -33.684 10.247 1.00 0.73 H new ATOM 0 HB3 LEU B 205 20.149 -32.757 11.733 1.00 0.73 H new ATOM 0 HG LEU B 205 18.465 -31.674 9.524 1.00 0.53 H new ATOM 0 HD11 LEU B 205 16.696 -33.382 9.856 1.00 1.21 H new ATOM 0 HD12 LEU B 205 18.172 -34.114 9.182 1.00 1.21 H new ATOM 0 HD13 LEU B 205 17.790 -34.310 10.909 1.00 1.21 H new ATOM 0 HD21 LEU B 205 16.865 -31.431 11.407 1.00 1.35 H new ATOM 0 HD22 LEU B 205 17.961 -32.360 12.457 1.00 1.35 H new ATOM 0 HD23 LEU B 205 18.461 -30.769 11.836 1.00 1.35 H new TER 1851 LEU B 205 CONECT 1754 1755 1756 1760 CONECT 1755 1754 CONECT 1756 1754 1757 1758 1759 CONECT 1757 1756 CONECT 1758 1756 CONECT 1759 1756 CONECT 1760 1754 1761 1776 CONECT 1761 1760 1762 1764 1777 CONECT 1762 1761 1763 1784 CONECT 1763 1762 CONECT 1764 1761 1765 1778 1779 CONECT 1765 1764 1766 1767 CONECT 1766 1765 1768 1780 CONECT 1767 1765 1769 1781 CONECT 1768 1766 1770 1782 CONECT 1769 1767 1770 1783 CONECT 1770 1768 1769 1771 CONECT 1771 1770 1772 CONECT 1772 1771 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1760 CONECT 1777 1761 CONECT 1778 1764 CONECT 1779 1764 CONECT 1780 1766 CONECT 1781 1767 CONECT 1782 1768 CONECT 1783 1769 CONECT 1784 1762 END