USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) HEADER ACTIN BINDING 03-MAY-94 1HCD TITLE STRUCTURE OF HISACTOPHILIN IS SIMILAR TO INTERLEUKIN-1 BETA TITLE 2 AND FIBROBLAST GROWTH FACTOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: HISACTOPHILIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; SOURCE 3 ORGANISM_TAXID: 44689 KEYWDS ACTIN BINDING EXPDTA SOLUTION NMR AUTHOR J.HABAZETTL,D.GONDOL,R.WILTSCHECK,J.OTLEWSKI,M.SCHLEICHER, AUTHOR 2 T.A.HOLAK REVDAT 2 24-FEB-09 1HCD 1 VERSN REVDAT 1 15-OCT-94 1HCD 0 JRNL AUTH J.HABAZETTL,D.GONDOL,R.WILTSCHECK,J.OTLEWSKI, JRNL AUTH 2 M.SCHLEICHER,T.A.HOLAK JRNL TITL STRUCTURE OF HISACTOPHILIN IS SIMILAR TO JRNL TITL 2 INTERLEUKIN-1 BETA AND FIBROBLAST GROWTH FACTOR. JRNL REF NATURE V. 359 855 1992 JRNL REFN ISSN 0028-0836 JRNL PMID 1436061 JRNL DOI 10.1038/359855A0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.HABAZETTL,M.SCHLEICHER,J.OTLEWSKI,T.A.HOLAK REMARK 1 TITL HOMONUCLEAR THREE-DIMENSIONAL NOE-NOE NUCLEAR REMARK 1 TITL 2 MAGNETIC RESONANCE(SLASH)SPECTRA FOR STRUCTURE REMARK 1 TITL 3 DETERMINATION OF PROTEINS IN SOLUTION REMARK 1 REF J.MOL.BIOL. V. 228 156 1992 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HCD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLY A 2 N GLY A 2 CA 0.105 REMARK 500 HIS A 9 CG HIS A 9 ND1 -0.093 REMARK 500 HIS A 10 CG HIS A 10 ND1 -0.092 REMARK 500 HIS A 12 CG HIS A 12 ND1 -0.093 REMARK 500 HIS A 24 CG HIS A 24 ND1 -0.092 REMARK 500 HIS A 25 CG HIS A 25 ND1 -0.092 REMARK 500 HIS A 27 CG HIS A 27 ND1 -0.090 REMARK 500 HIS A 28 CG HIS A 28 ND1 -0.091 REMARK 500 HIS A 30 CG HIS A 30 ND1 -0.090 REMARK 500 HIS A 31 CG HIS A 31 ND1 -0.094 REMARK 500 HIS A 39 CG HIS A 39 ND1 -0.091 REMARK 500 HIS A 48 CG HIS A 48 ND1 -0.093 REMARK 500 HIS A 58 CG HIS A 58 ND1 -0.091 REMARK 500 HIS A 65 CG HIS A 65 ND1 -0.092 REMARK 500 HIS A 66 CG HIS A 66 ND1 -0.093 REMARK 500 HIS A 68 CG HIS A 68 ND1 -0.094 REMARK 500 HIS A 71 CG HIS A 71 ND1 -0.091 REMARK 500 HIS A 75 CG HIS A 75 ND1 -0.091 REMARK 500 HIS A 78 CG HIS A 78 ND1 -0.091 REMARK 500 HIS A 79 CG HIS A 79 ND1 -0.093 REMARK 500 HIS A 88 CG HIS A 88 ND1 -0.092 REMARK 500 HIS A 89 CG HIS A 89 ND1 -0.091 REMARK 500 HIS A 90 CG HIS A 90 ND1 -0.092 REMARK 500 HIS A 91 CG HIS A 91 ND1 -0.096 REMARK 500 HIS A 97 CG HIS A 97 ND1 -0.091 REMARK 500 HIS A 98 CG HIS A 98 ND1 -0.093 REMARK 500 HIS A 106 CG HIS A 106 ND1 -0.093 REMARK 500 HIS A 107 CG HIS A 107 ND1 -0.092 REMARK 500 HIS A 109 CG HIS A 109 ND1 -0.091 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 3 47.69 -151.42 REMARK 500 ARG A 4 -100.61 -164.76 REMARK 500 SER A 8 69.41 -114.59 REMARK 500 HIS A 9 153.17 86.55 REMARK 500 HIS A 10 6.13 -58.52 REMARK 500 HIS A 12 164.06 178.89 REMARK 500 GLU A 17 108.66 -160.21 REMARK 500 GLU A 19 39.56 -95.02 REMARK 500 HIS A 24 -169.81 -163.19 REMARK 500 HIS A 27 -69.97 -168.63 REMARK 500 ASP A 29 -178.57 50.37 REMARK 500 THR A 47 28.61 -164.06 REMARK 500 HIS A 48 15.91 -173.03 REMARK 500 ASP A 57 178.02 166.59 REMARK 500 HIS A 58 -80.61 47.43 REMARK 500 LYS A 59 46.28 -161.05 REMARK 500 SER A 64 -141.93 -114.93 REMARK 500 LEU A 67 146.90 -170.61 REMARK 500 HIS A 71 -43.20 98.26 REMARK 500 HIS A 79 83.37 -162.79 REMARK 500 LYS A 82 -163.20 -115.97 REMARK 500 HIS A 88 -167.11 -72.50 REMARK 500 HIS A 89 23.33 42.25 REMARK 500 ASP A 96 62.72 -101.95 REMARK 500 HIS A 97 -130.45 58.79 REMARK 500 HIS A 100 -175.79 92.95 REMARK 500 SER A 102 -148.09 -157.80 REMARK 500 HIS A 106 -169.05 -53.06 REMARK 500 HIS A 107 113.68 -165.35 REMARK 500 ASP A 108 -89.73 -168.65 REMARK 500 HIS A 109 -34.77 -132.46 REMARK 500 ILE A 117 -149.84 -116.02 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 4 0.23 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HCE RELATED DB: PDB DBREF 1HCD A 2 118 UNP P13231 HATA_DICDI 1 117 SEQRES 1 A 118 MET GLY ASN ARG ALA PHE LYS SER HIS HIS GLY HIS PHE SEQRES 2 A 118 LEU SER ALA GLU GLY GLU ALA VAL LYS THR HIS HIS GLY SEQRES 3 A 118 HIS HIS ASP HIS HIS THR HIS PHE HIS VAL GLU ASN HIS SEQRES 4 A 118 GLY GLY LYS VAL ALA LEU LYS THR HIS CYS GLY LYS TYR SEQRES 5 A 118 LEU SER ILE GLY ASP HIS LYS GLN VAL TYR LEU SER HIS SEQRES 6 A 118 HIS LEU HIS GLY ASP HIS SER LEU PHE HIS LEU GLU HIS SEQRES 7 A 118 HIS GLY GLY LYS VAL SER ILE LYS GLY HIS HIS HIS HIS SEQRES 8 A 118 TYR ILE SER ALA ASP HIS HIS GLY HIS VAL SER THR LYS SEQRES 9 A 118 GLU HIS HIS ASP HIS ASP THR THR PHE GLU GLU ILE ILE SEQRES 10 A 118 ILE HELIX 1 1 HIS A 97 GLY A 99 5 3 SHEET 1 B1 7 GLY A 2 SER A 8 0 SHEET 2 B1 7 PHE A 34 HIS A 39 -1 N PHE A 34 O ARG A 4 SHEET 3 B1 7 LYS A 42 LYS A 46 -1 O LYS A 42 N HIS A 39 SHEET 4 B1 7 PHE A 74 HIS A 79 -1 O PHE A 74 N VAL A 43 SHEET 5 B1 7 LYS A 82 GLY A 87 -1 O LYS A 82 N HIS A 79 SHEET 6 B1 7 THR A 112 ILE A 116 -1 O PHE A 113 N VAL A 83 SHEET 7 B1 7 GLY A 2 SER A 8 -1 O LYS A 7 N GLU A 114 SHEET 1 B2 2 HIS A 12 GLU A 17 0 SHEET 2 B2 2 ALA A 20 HIS A 24 -1 O ALA A 20 N GLU A 17 SHEET 1 B3 2 TYR A 52 GLY A 56 0 SHEET 2 B3 2 GLN A 60 SER A 64 -1 O TYR A 62 N SER A 54 SHEET 1 B4 2 TYR A 92 ASP A 96 0 SHEET 2 B4 2 HIS A 100 LYS A 104 -1 O SER A 102 N SER A 94 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= -1.84 K(o=-2.1,f=-3.2) USER MOD Set 1.2: A 84 SER OG : rot -81:sc= 0.602 USER MOD Set 1.3: A 107 HIS : no HE2:sc= -1.59 K(o=-2.1,f=-3.2) USER MOD Set 1.4: A 112 THR OG1 : rot 180:sc= 0.775 USER MOD Set 2.1: A 100 HIS : no HE2:sc= -4! C(o=-3.8!,f=-9!) USER MOD Set 2.2: A 102 SER OG : rot -35:sc= 0.222 USER MOD Set 3.1: A 54 SER OG : rot -42:sc= -1.28 USER MOD Set 3.2: A 72 SER OG : rot 180:sc= -0.362 USER MOD Set 4.1: A 39 HIS :FLIP no HD1:sc= -1.08 F(o=-3,f=-1.2) USER MOD Set 4.2: A 68 HIS :FLIP no HD1:sc= -0.113 F(o=-2.5,f=-1.2) USER MOD Set 5.1: A 58 HIS : no HD1:sc= 0.128 K(o=0.26,f=-6.7!) USER MOD Set 5.2: A 59 LYS NZ :NH3+ -127:sc= 0.133 (180deg=-0.468) USER MOD Set 6.1: A 3 ASN : amide:sc= -1.14 K(o=-1.3,f=-2.1) USER MOD Set 6.2: A 35 HIS : no HD1:sc= -0.19 X(o=-1.3,f=-1) USER MOD Set 7.1: A 15 SER OG : rot 160:sc= -0.745 USER MOD Set 7.2: A 24 HIS : no HD1:sc= -1.66 K(o=-2.4,f=-5.1!) USER MOD Set 8.1: A 8 SER OG : rot 77:sc= 0.884 USER MOD Set 8.2: A 12 HIS : no HD1:sc= -0.718 K(o=0.17,f=-0.72) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-5.4!) USER MOD Single : A 10 HIS : no HD1:sc= -1.99! C(o=-2!,f=-3.4!) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.0196 (180deg=-0.295) USER MOD Single : A 23 THR OG1 : rot -4:sc= 0.162! USER MOD Single : A 25 HIS :FLIP no HD1:sc= 0.0738 F(o=-1.6!,f=0.074) USER MOD Single : A 27 HIS : no HD1:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 28 HIS : no HE2:sc= -1.99! C(o=-2!,f=-4.2!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -1.41! C(o=-1.4!,f=-7.3!) USER MOD Single : A 32 THR OG1 : rot 39:sc= -1.95 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.0707! C(o=-1.9!,f=-0.071!) USER MOD Single : A 38 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.11) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 0.403 (180deg=0.289) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.145) USER MOD Single : A 47 THR OG1 : rot -73:sc= 1.13 USER MOD Single : A 48 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 49 CYS SG : rot -6:sc= 0.171 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.97! C(o=-2!,f=-1.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -141:sc= 0.152 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.182 F(o=-1.1,f=-0.18) USER MOD Single : A 71 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-3!) USER MOD Single : A 75 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.58) USER MOD Single : A 78 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.23) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= -0.155 (180deg=-0.683) USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= 0.329 (180deg=0.264) USER MOD Single : A 88 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-2.5!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 91 HIS : no HE2:sc= -8.78! C(o=-8.8!,f=-13!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.274 USER MOD Single : A 97 HIS : no HD1:sc= -0.902 X(o=-0.9,f=-1.2) USER MOD Single : A 98 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-1.3) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -138:sc= -0.917 (180deg=-2.82) USER MOD Single : A 106 HIS :FLIP no HD1:sc= -2.18! C(o=-3.5!,f=-2.2!) USER MOD Single : A 109 HIS : no HD1:sc= -0.485 X(o=-0.48,f=-0.57) USER MOD Single : A 111 THR OG1 : rot 35:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.224 6.808 11.341 1.00 0.00 N ATOM 2 CA MET A 1 0.817 7.859 11.533 1.00 0.00 C ATOM 3 C MET A 1 1.957 7.624 10.516 1.00 0.00 C ATOM 4 O MET A 1 2.929 7.031 10.941 1.00 0.00 O ATOM 5 CB MET A 1 1.337 7.647 12.992 1.00 0.00 C ATOM 6 CG MET A 1 2.261 8.783 13.457 1.00 0.00 C ATOM 7 SD MET A 1 3.026 8.676 15.114 1.00 0.00 S ATOM 8 CE MET A 1 3.155 10.454 15.473 1.00 0.00 C ATOM 0 H1 MET A 1 -0.997 6.957 12.021 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.599 6.864 10.373 1.00 0.00 H new ATOM 0 H3 MET A 1 0.197 5.870 11.495 1.00 0.00 H new ATOM 0 HA MET A 1 0.438 8.870 11.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.487 7.573 13.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.873 6.700 13.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.066 8.873 12.727 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.689 9.710 13.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.605 10.595 16.456 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.777 10.934 14.717 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.161 10.901 15.461 1.00 0.00 H new ATOM 20 N GLY A 2 1.894 8.038 9.215 1.00 0.00 N ATOM 21 CA GLY A 2 3.094 7.627 8.306 1.00 0.00 C ATOM 22 C GLY A 2 3.460 8.631 7.219 1.00 0.00 C ATOM 23 O GLY A 2 2.651 9.430 6.766 1.00 0.00 O ATOM 0 H GLY A 2 1.149 8.583 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.968 7.465 8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.861 6.673 7.833 1.00 0.00 H new ATOM 27 N ASN A 3 4.720 8.533 6.820 1.00 0.00 N ATOM 28 CA ASN A 3 5.270 9.479 5.768 1.00 0.00 C ATOM 29 C ASN A 3 6.393 8.980 4.888 1.00 0.00 C ATOM 30 O ASN A 3 7.372 9.657 4.631 1.00 0.00 O ATOM 31 CB ASN A 3 5.803 10.616 6.560 1.00 0.00 C ATOM 32 CG ASN A 3 6.121 11.816 5.665 1.00 0.00 C ATOM 33 OD1 ASN A 3 7.182 12.418 5.725 1.00 0.00 O ATOM 34 ND2 ASN A 3 5.203 12.187 4.816 1.00 0.00 N ATOM 0 H ASN A 3 5.387 7.846 7.172 1.00 0.00 H new ATOM 0 HA ASN A 3 4.463 9.684 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.075 10.907 7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.704 10.304 7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.370 12.982 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.318 11.682 4.769 1.00 0.00 H new ATOM 41 N ARG A 4 6.155 7.823 4.410 1.00 0.00 N ATOM 42 CA ARG A 4 7.179 7.137 3.505 1.00 0.00 C ATOM 43 C ARG A 4 6.787 5.904 2.631 1.00 0.00 C ATOM 44 O ARG A 4 6.231 6.089 1.569 1.00 0.00 O ATOM 45 CB ARG A 4 8.608 6.976 4.106 1.00 0.00 C ATOM 46 CG ARG A 4 9.671 6.864 2.955 1.00 0.00 C ATOM 47 CD ARG A 4 11.129 7.171 3.386 1.00 0.00 C ATOM 48 NE ARG A 4 11.843 7.785 2.219 1.00 0.00 N ATOM 49 CZ ARG A 4 12.945 8.494 2.403 1.00 0.00 C ATOM 50 NH1 ARG A 4 13.893 8.043 3.187 1.00 0.00 N ATOM 51 NH2 ARG A 4 13.069 9.648 1.820 1.00 0.00 N ATOM 0 H ARG A 4 5.304 7.287 4.584 1.00 0.00 H new ATOM 0 HA ARG A 4 7.186 7.931 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.840 7.829 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.648 6.087 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.634 5.856 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.392 7.548 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.138 7.851 4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.632 6.257 3.702 1.00 0.00 H new ATOM 0 HE ARG A 4 11.476 7.655 1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 4 13.782 7.144 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.742 8.591 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.320 10.002 1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.916 10.200 1.957 1.00 0.00 H new ATOM 65 N ALA A 5 7.110 4.665 3.041 1.00 0.00 N ATOM 66 CA ALA A 5 6.892 3.485 2.096 1.00 0.00 C ATOM 67 C ALA A 5 6.524 2.172 2.859 1.00 0.00 C ATOM 68 O ALA A 5 6.776 2.034 4.069 1.00 0.00 O ATOM 69 CB ALA A 5 8.221 3.290 1.326 1.00 0.00 C ATOM 0 H ALA A 5 7.500 4.431 3.954 1.00 0.00 H new ATOM 0 HA ALA A 5 6.056 3.697 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.121 2.455 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.456 4.197 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.024 3.080 2.033 1.00 0.00 H new ATOM 75 N PHE A 6 5.962 1.220 2.114 1.00 0.00 N ATOM 76 CA PHE A 6 5.501 -0.090 2.682 1.00 0.00 C ATOM 77 C PHE A 6 6.340 -1.231 2.081 1.00 0.00 C ATOM 78 O PHE A 6 6.274 -1.495 0.892 1.00 0.00 O ATOM 79 CB PHE A 6 4.003 -0.280 2.305 1.00 0.00 C ATOM 80 CG PHE A 6 3.068 0.480 3.281 1.00 0.00 C ATOM 81 CD1 PHE A 6 3.113 0.220 4.677 1.00 0.00 C ATOM 82 CD2 PHE A 6 2.177 1.477 2.799 1.00 0.00 C ATOM 83 CE1 PHE A 6 2.290 0.949 5.562 1.00 0.00 C ATOM 84 CE2 PHE A 6 1.357 2.198 3.688 1.00 0.00 C ATOM 85 CZ PHE A 6 1.415 1.934 5.068 1.00 0.00 C ATOM 0 H PHE A 6 5.806 1.312 1.110 1.00 0.00 H new ATOM 0 HA PHE A 6 5.619 -0.100 3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.835 0.076 1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.756 -1.342 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.779 -0.538 5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.128 1.684 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.332 0.750 6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.684 2.953 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.787 2.488 5.750 1.00 0.00 H new ATOM 95 N LYS A 7 7.097 -1.886 2.954 1.00 0.00 N ATOM 96 CA LYS A 7 8.075 -2.941 2.553 1.00 0.00 C ATOM 97 C LYS A 7 7.462 -4.330 2.552 1.00 0.00 C ATOM 98 O LYS A 7 6.842 -4.724 3.505 1.00 0.00 O ATOM 99 CB LYS A 7 9.264 -2.835 3.531 1.00 0.00 C ATOM 100 CG LYS A 7 10.559 -3.445 2.960 1.00 0.00 C ATOM 101 CD LYS A 7 11.772 -3.114 3.865 1.00 0.00 C ATOM 102 CE LYS A 7 11.738 -3.929 5.169 1.00 0.00 C ATOM 103 NZ LYS A 7 13.026 -3.781 5.896 1.00 0.00 N ATOM 0 H LYS A 7 7.065 -1.716 3.959 1.00 0.00 H new ATOM 0 HA LYS A 7 8.403 -2.782 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.437 -1.787 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.009 -3.340 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.449 -4.526 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.734 -3.061 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.697 -3.323 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.773 -2.049 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.915 -3.590 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.556 -4.980 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.994 -4.335 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.804 -4.126 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.183 -2.778 6.124 1.00 0.00 H new ATOM 117 N SER A 8 7.685 -5.054 1.471 1.00 0.00 N ATOM 118 CA SER A 8 7.164 -6.425 1.325 1.00 0.00 C ATOM 119 C SER A 8 8.382 -7.344 1.283 1.00 0.00 C ATOM 120 O SER A 8 8.711 -7.918 0.262 1.00 0.00 O ATOM 121 CB SER A 8 6.501 -6.431 -0.047 1.00 0.00 C ATOM 122 OG SER A 8 7.552 -6.126 -0.959 1.00 0.00 O ATOM 0 H SER A 8 8.225 -4.725 0.671 1.00 0.00 H new ATOM 0 HA SER A 8 6.481 -6.734 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.055 -7.401 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.701 -5.693 -0.103 1.00 0.00 H new ATOM 0 HG SER A 8 8.110 -6.920 -1.092 1.00 0.00 H new ATOM 128 N HIS A 9 9.019 -7.433 2.424 1.00 0.00 N ATOM 129 CA HIS A 9 10.316 -8.156 2.566 1.00 0.00 C ATOM 130 C HIS A 9 11.455 -7.184 2.222 1.00 0.00 C ATOM 131 O HIS A 9 11.293 -6.246 1.437 1.00 0.00 O ATOM 132 CB HIS A 9 10.387 -9.446 1.702 1.00 0.00 C ATOM 133 CG HIS A 9 11.409 -10.435 2.285 1.00 0.00 C ATOM 134 ND1 HIS A 9 12.645 -10.185 2.482 1.00 0.00 N ATOM 135 CD2 HIS A 9 11.240 -11.739 2.711 1.00 0.00 C ATOM 136 CE1 HIS A 9 13.231 -11.213 2.984 1.00 0.00 C ATOM 137 NE2 HIS A 9 12.401 -12.224 3.153 1.00 0.00 N ATOM 0 H HIS A 9 8.679 -7.019 3.292 1.00 0.00 H new ATOM 0 HA HIS A 9 10.413 -8.495 3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.404 -9.915 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.664 -9.190 0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.308 -12.283 2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.280 -11.245 3.238 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.599 -13.151 3.530 1.00 0.00 H new ATOM 145 N HIS A 10 12.588 -7.460 2.801 1.00 0.00 N ATOM 146 CA HIS A 10 13.759 -6.534 2.654 1.00 0.00 C ATOM 147 C HIS A 10 14.144 -6.345 1.180 1.00 0.00 C ATOM 148 O HIS A 10 15.136 -5.710 0.882 1.00 0.00 O ATOM 149 CB HIS A 10 14.972 -7.063 3.440 1.00 0.00 C ATOM 150 CG HIS A 10 16.132 -6.067 3.356 1.00 0.00 C ATOM 151 ND1 HIS A 10 16.025 -4.833 3.046 1.00 0.00 N ATOM 152 CD2 HIS A 10 17.482 -6.256 3.587 1.00 0.00 C ATOM 153 CE1 HIS A 10 17.180 -4.267 3.071 1.00 0.00 C ATOM 154 NE2 HIS A 10 18.139 -5.109 3.405 1.00 0.00 N ATOM 0 H HIS A 10 12.761 -8.287 3.372 1.00 0.00 H new ATOM 0 HA HIS A 10 13.461 -5.567 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 10 14.697 -7.225 4.482 1.00 0.00 H new ATOM 0 HB3 HIS A 10 15.282 -8.028 3.039 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.937 -7.193 3.872 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.345 -3.224 2.845 1.00 0.00 H new ATOM 0 HE2 HIS A 10 19.138 -4.928 3.501 1.00 0.00 H new ATOM 162 N GLY A 11 13.364 -6.884 0.267 1.00 0.00 N ATOM 163 CA GLY A 11 13.686 -6.734 -1.172 1.00 0.00 C ATOM 164 C GLY A 11 13.234 -5.347 -1.669 1.00 0.00 C ATOM 165 O GLY A 11 13.880 -4.820 -2.550 1.00 0.00 O ATOM 0 H GLY A 11 12.520 -7.420 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.758 -6.854 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.190 -7.516 -1.748 1.00 0.00 H new ATOM 169 N HIS A 12 12.169 -4.743 -1.118 1.00 0.00 N ATOM 170 CA HIS A 12 11.733 -3.428 -1.673 1.00 0.00 C ATOM 171 C HIS A 12 10.486 -2.911 -0.932 1.00 0.00 C ATOM 172 O HIS A 12 9.797 -3.654 -0.233 1.00 0.00 O ATOM 173 CB HIS A 12 11.382 -3.607 -3.170 1.00 0.00 C ATOM 174 CG HIS A 12 10.654 -4.935 -3.387 1.00 0.00 C ATOM 175 ND1 HIS A 12 11.190 -6.007 -3.825 1.00 0.00 N ATOM 176 CD2 HIS A 12 9.328 -5.265 -3.175 1.00 0.00 C ATOM 177 CE1 HIS A 12 10.313 -6.945 -3.895 1.00 0.00 C ATOM 178 NE2 HIS A 12 9.122 -6.542 -3.499 1.00 0.00 N ATOM 0 H HIS A 12 11.617 -5.104 -0.340 1.00 0.00 H new ATOM 0 HA HIS A 12 12.543 -2.709 -1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.755 -2.781 -3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.292 -3.580 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 12 8.572 -4.589 -2.803 1.00 0.00 H new ATOM 0 HE1 HIS A 12 10.527 -7.946 -4.238 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.255 -7.077 -3.452 1.00 0.00 H new ATOM 186 N PHE A 13 10.217 -1.620 -1.115 1.00 0.00 N ATOM 187 CA PHE A 13 8.997 -0.995 -0.575 1.00 0.00 C ATOM 188 C PHE A 13 8.265 -0.117 -1.628 1.00 0.00 C ATOM 189 O PHE A 13 8.891 0.615 -2.389 1.00 0.00 O ATOM 190 CB PHE A 13 9.427 -0.191 0.692 1.00 0.00 C ATOM 191 CG PHE A 13 10.805 0.489 0.588 1.00 0.00 C ATOM 192 CD1 PHE A 13 10.959 1.652 -0.199 1.00 0.00 C ATOM 193 CD2 PHE A 13 11.922 -0.001 1.322 1.00 0.00 C ATOM 194 CE1 PHE A 13 12.204 2.317 -0.254 1.00 0.00 C ATOM 195 CE2 PHE A 13 13.163 0.664 1.265 1.00 0.00 C ATOM 196 CZ PHE A 13 13.304 1.823 0.477 1.00 0.00 C ATOM 0 H PHE A 13 10.822 -0.982 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 13 8.264 -1.755 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.675 0.572 0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.434 -0.866 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.120 2.035 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.817 -0.889 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.314 3.206 -0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 13 14.005 0.285 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.255 2.333 0.433 1.00 0.00 H new ATOM 206 N LEU A 14 6.933 -0.286 -1.641 1.00 0.00 N ATOM 207 CA LEU A 14 5.991 0.554 -2.426 1.00 0.00 C ATOM 208 C LEU A 14 6.347 2.037 -2.275 1.00 0.00 C ATOM 209 O LEU A 14 6.357 2.545 -1.177 1.00 0.00 O ATOM 210 CB LEU A 14 4.591 0.350 -1.825 1.00 0.00 C ATOM 211 CG LEU A 14 4.071 -1.116 -1.822 1.00 0.00 C ATOM 212 CD1 LEU A 14 2.544 -1.110 -1.714 1.00 0.00 C ATOM 213 CD2 LEU A 14 4.470 -1.880 -3.090 1.00 0.00 C ATOM 0 H LEU A 14 6.466 -1.016 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 14 6.037 0.275 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.598 0.717 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.883 0.967 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 14 4.524 -1.620 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.175 -2.136 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.247 -0.615 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.121 -0.575 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.083 -2.898 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.054 -1.377 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.557 -1.909 -3.171 1.00 0.00 H new ATOM 225 N SER A 15 6.580 2.705 -3.368 1.00 0.00 N ATOM 226 CA SER A 15 7.009 4.130 -3.313 1.00 0.00 C ATOM 227 C SER A 15 6.626 4.804 -4.646 1.00 0.00 C ATOM 228 O SER A 15 5.943 4.213 -5.478 1.00 0.00 O ATOM 229 CB SER A 15 8.530 4.131 -3.138 1.00 0.00 C ATOM 230 OG SER A 15 8.847 5.471 -2.800 1.00 0.00 O ATOM 0 H SER A 15 6.491 2.321 -4.309 1.00 0.00 H new ATOM 0 HA SER A 15 6.534 4.670 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.840 3.440 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.035 3.822 -4.053 1.00 0.00 H new ATOM 0 HG SER A 15 9.725 5.500 -2.366 1.00 0.00 H new ATOM 236 N ALA A 16 7.124 6.002 -4.857 1.00 0.00 N ATOM 237 CA ALA A 16 6.734 6.809 -6.072 1.00 0.00 C ATOM 238 C ALA A 16 7.945 7.019 -6.981 1.00 0.00 C ATOM 239 O ALA A 16 9.074 6.817 -6.582 1.00 0.00 O ATOM 240 CB ALA A 16 6.234 8.177 -5.594 1.00 0.00 C ATOM 0 H ALA A 16 7.790 6.463 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 16 5.961 6.280 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.946 8.780 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.372 8.041 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.028 8.684 -5.046 1.00 0.00 H new ATOM 246 N GLU A 17 7.670 7.405 -8.204 1.00 0.00 N ATOM 247 CA GLU A 17 8.765 7.614 -9.204 1.00 0.00 C ATOM 248 C GLU A 17 8.252 8.513 -10.352 1.00 0.00 C ATOM 249 O GLU A 17 7.438 8.072 -11.144 1.00 0.00 O ATOM 250 CB GLU A 17 9.157 6.221 -9.748 1.00 0.00 C ATOM 251 CG GLU A 17 10.521 6.273 -10.478 1.00 0.00 C ATOM 252 CD GLU A 17 11.685 6.356 -9.474 1.00 0.00 C ATOM 253 OE1 GLU A 17 11.395 6.486 -8.294 1.00 0.00 O ATOM 254 OE2 GLU A 17 12.807 6.282 -9.949 1.00 0.00 O ATOM 0 H GLU A 17 6.729 7.585 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 17 9.627 8.103 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.208 5.507 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.388 5.865 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.637 5.386 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.548 7.136 -11.143 1.00 0.00 H new ATOM 261 N GLY A 18 8.705 9.749 -10.437 1.00 0.00 N ATOM 262 CA GLY A 18 8.212 10.624 -11.569 1.00 0.00 C ATOM 263 C GLY A 18 6.679 10.646 -11.602 1.00 0.00 C ATOM 264 O GLY A 18 6.039 10.839 -10.587 1.00 0.00 O ATOM 0 H GLY A 18 9.372 10.182 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.594 11.638 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.597 10.252 -12.518 1.00 0.00 H new ATOM 268 N GLU A 19 6.117 10.449 -12.773 1.00 0.00 N ATOM 269 CA GLU A 19 4.620 10.401 -12.912 1.00 0.00 C ATOM 270 C GLU A 19 4.140 8.943 -12.857 1.00 0.00 C ATOM 271 O GLU A 19 3.246 8.562 -13.587 1.00 0.00 O ATOM 272 CB GLU A 19 4.207 11.034 -14.261 1.00 0.00 C ATOM 273 CG GLU A 19 4.991 10.412 -15.456 1.00 0.00 C ATOM 274 CD GLU A 19 6.355 11.094 -15.645 1.00 0.00 C ATOM 275 OE1 GLU A 19 6.334 12.217 -16.124 1.00 0.00 O ATOM 276 OE2 GLU A 19 7.337 10.455 -15.305 1.00 0.00 O ATOM 0 H GLU A 19 6.632 10.319 -13.644 1.00 0.00 H new ATOM 0 HA GLU A 19 4.163 10.959 -12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.137 10.894 -14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.386 12.109 -14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.136 9.346 -15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.404 10.510 -16.369 1.00 0.00 H new ATOM 283 N ALA A 20 4.738 8.150 -11.993 1.00 0.00 N ATOM 284 CA ALA A 20 4.322 6.708 -11.879 1.00 0.00 C ATOM 285 C ALA A 20 4.663 6.149 -10.493 1.00 0.00 C ATOM 286 O ALA A 20 5.424 6.736 -9.749 1.00 0.00 O ATOM 287 CB ALA A 20 5.069 5.900 -12.943 1.00 0.00 C ATOM 0 H ALA A 20 5.490 8.435 -11.366 1.00 0.00 H new ATOM 0 HA ALA A 20 3.244 6.636 -12.025 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.779 4.852 -12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.818 6.282 -13.933 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.143 5.990 -12.781 1.00 0.00 H new ATOM 293 N VAL A 21 4.078 5.009 -10.179 1.00 0.00 N ATOM 294 CA VAL A 21 4.283 4.339 -8.847 1.00 0.00 C ATOM 295 C VAL A 21 4.986 2.994 -9.034 1.00 0.00 C ATOM 296 O VAL A 21 4.662 2.248 -9.935 1.00 0.00 O ATOM 297 CB VAL A 21 2.912 4.149 -8.217 1.00 0.00 C ATOM 298 CG1 VAL A 21 2.979 3.366 -6.898 1.00 0.00 C ATOM 299 CG2 VAL A 21 2.289 5.527 -7.964 1.00 0.00 C ATOM 0 H VAL A 21 3.452 4.504 -10.807 1.00 0.00 H new ATOM 0 HA VAL A 21 4.913 4.949 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 21 2.302 3.567 -8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.975 3.257 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.405 2.380 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.605 3.905 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.305 5.404 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.929 6.097 -7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.190 6.061 -8.909 1.00 0.00 H new ATOM 309 N LYS A 22 5.931 2.704 -8.158 1.00 0.00 N ATOM 310 CA LYS A 22 6.730 1.439 -8.279 1.00 0.00 C ATOM 311 C LYS A 22 7.160 0.964 -6.880 1.00 0.00 C ATOM 312 O LYS A 22 6.622 1.405 -5.884 1.00 0.00 O ATOM 313 CB LYS A 22 7.986 1.697 -9.141 1.00 0.00 C ATOM 314 CG LYS A 22 7.633 2.426 -10.450 1.00 0.00 C ATOM 315 CD LYS A 22 8.859 2.443 -11.384 1.00 0.00 C ATOM 316 CE LYS A 22 8.583 3.323 -12.608 1.00 0.00 C ATOM 317 NZ LYS A 22 7.325 2.913 -13.292 1.00 0.00 N ATOM 0 H LYS A 22 6.181 3.293 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 22 6.117 0.672 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.702 2.292 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.471 0.749 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.797 1.927 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.314 3.446 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.729 2.819 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.096 1.428 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.510 4.366 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.418 3.254 -13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.266 3.381 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.322 1.881 -13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.508 3.190 -12.711 1.00 0.00 H new ATOM 331 N THR A 23 8.126 0.069 -6.837 1.00 0.00 N ATOM 332 CA THR A 23 8.685 -0.431 -5.531 1.00 0.00 C ATOM 333 C THR A 23 10.203 -0.515 -5.641 1.00 0.00 C ATOM 334 O THR A 23 10.719 -0.985 -6.637 1.00 0.00 O ATOM 335 CB THR A 23 8.118 -1.829 -5.210 1.00 0.00 C ATOM 336 OG1 THR A 23 8.845 -2.753 -6.014 1.00 0.00 O ATOM 337 CG2 THR A 23 6.670 -1.976 -5.697 1.00 0.00 C ATOM 0 H THR A 23 8.557 -0.343 -7.665 1.00 0.00 H new ATOM 0 HA THR A 23 8.404 0.256 -4.733 1.00 0.00 H new ATOM 0 HB THR A 23 8.183 -1.989 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.455 -2.263 -6.605 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.304 -2.973 -5.454 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.044 -1.230 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.632 -1.829 -6.776 1.00 0.00 H new ATOM 345 N HIS A 24 10.900 -0.063 -4.626 1.00 0.00 N ATOM 346 CA HIS A 24 12.401 -0.164 -4.695 1.00 0.00 C ATOM 347 C HIS A 24 13.072 0.004 -3.330 1.00 0.00 C ATOM 348 O HIS A 24 12.428 0.004 -2.297 1.00 0.00 O ATOM 349 CB HIS A 24 12.911 0.925 -5.655 1.00 0.00 C ATOM 350 CG HIS A 24 12.605 2.313 -5.085 1.00 0.00 C ATOM 351 ND1 HIS A 24 11.861 2.549 -4.074 1.00 0.00 N ATOM 352 CD2 HIS A 24 13.022 3.556 -5.515 1.00 0.00 C ATOM 353 CE1 HIS A 24 11.790 3.813 -3.861 1.00 0.00 C ATOM 354 NE2 HIS A 24 12.499 4.504 -4.733 1.00 0.00 N ATOM 0 H HIS A 24 10.517 0.358 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 24 12.657 -1.163 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 24 13.985 0.814 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 24 12.438 0.811 -6.631 1.00 0.00 H new ATOM 0 HD2 HIS A 24 13.674 3.735 -6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 24 11.217 4.259 -3.061 1.00 0.00 H new ATOM 0 HE2 HIS A 24 12.619 5.515 -4.795 1.00 0.00 H new ATOM 362 N HIS A 25 14.383 0.132 -3.387 1.00 0.00 N ATOM 363 CA HIS A 25 15.234 0.312 -2.159 1.00 0.00 C ATOM 364 C HIS A 25 15.978 1.653 -2.241 1.00 0.00 C ATOM 365 O HIS A 25 16.259 2.144 -3.316 1.00 0.00 O ATOM 366 CB HIS A 25 16.253 -0.831 -2.118 1.00 0.00 C ATOM 367 CG HIS A 25 16.970 -0.914 -3.467 1.00 0.00 C ATOM 368 ND1 HIS A 25 16.528 -1.416 -4.676 1.00 0.00 N flip ATOM 369 CD2 HIS A 25 18.159 -0.509 -3.698 1.00 0.00 C flip ATOM 370 CE1 HIS A 25 17.484 -1.288 -5.597 1.00 0.00 C flip ATOM 371 NE2 HIS A 25 18.467 -0.718 -4.929 1.00 0.00 N flip ATOM 0 H HIS A 25 14.912 0.119 -4.259 1.00 0.00 H new ATOM 0 HA HIS A 25 14.613 0.304 -1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 25 16.975 -0.662 -1.319 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.751 -1.774 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.811 -0.057 -2.966 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.459 -1.580 -6.636 1.00 0.00 H new ATOM 0 HE2 HIS A 25 19.367 -0.471 -5.341 1.00 0.00 H new ATOM 379 N GLY A 26 16.283 2.217 -1.101 1.00 0.00 N ATOM 380 CA GLY A 26 17.000 3.529 -1.088 1.00 0.00 C ATOM 381 C GLY A 26 18.437 3.373 -1.597 1.00 0.00 C ATOM 382 O GLY A 26 19.174 2.532 -1.122 1.00 0.00 O ATOM 0 H GLY A 26 16.068 1.829 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.465 4.246 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.011 3.932 -0.075 1.00 0.00 H new ATOM 386 N HIS A 27 18.809 4.193 -2.552 1.00 0.00 N ATOM 387 CA HIS A 27 20.201 4.125 -3.100 1.00 0.00 C ATOM 388 C HIS A 27 20.480 5.348 -3.988 1.00 0.00 C ATOM 389 O HIS A 27 21.257 6.211 -3.629 1.00 0.00 O ATOM 390 CB HIS A 27 20.352 2.826 -3.918 1.00 0.00 C ATOM 391 CG HIS A 27 21.833 2.536 -4.194 1.00 0.00 C ATOM 392 ND1 HIS A 27 22.482 1.533 -3.738 1.00 0.00 N ATOM 393 CD2 HIS A 27 22.757 3.240 -4.943 1.00 0.00 C ATOM 394 CE1 HIS A 27 23.702 1.571 -4.144 1.00 0.00 C ATOM 395 NE2 HIS A 27 23.938 2.621 -4.906 1.00 0.00 N ATOM 0 H HIS A 27 18.211 4.904 -2.974 1.00 0.00 H new ATOM 0 HA HIS A 27 20.919 4.126 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 27 19.907 1.993 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 27 19.811 2.917 -4.860 1.00 0.00 H new ATOM 0 HD2 HIS A 27 22.553 4.155 -5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 27 24.446 0.830 -3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 27 24.811 2.894 -5.357 1.00 0.00 H new ATOM 403 N HIS A 28 19.840 5.397 -5.136 1.00 0.00 N ATOM 404 CA HIS A 28 20.041 6.551 -6.082 1.00 0.00 C ATOM 405 C HIS A 28 19.105 7.717 -5.726 1.00 0.00 C ATOM 406 O HIS A 28 17.905 7.550 -5.656 1.00 0.00 O ATOM 407 CB HIS A 28 19.729 6.071 -7.507 1.00 0.00 C ATOM 408 CG HIS A 28 18.323 5.465 -7.562 1.00 0.00 C ATOM 409 ND1 HIS A 28 17.230 6.127 -7.569 1.00 0.00 N ATOM 410 CD2 HIS A 28 17.929 4.141 -7.620 1.00 0.00 C ATOM 411 CE1 HIS A 28 16.225 5.327 -7.624 1.00 0.00 C ATOM 412 NE2 HIS A 28 16.599 4.063 -7.658 1.00 0.00 N ATOM 0 H HIS A 28 19.185 4.686 -5.461 1.00 0.00 H new ATOM 0 HA HIS A 28 21.071 6.900 -6.008 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.801 6.906 -8.204 1.00 0.00 H new ATOM 0 HB3 HIS A 28 20.465 5.330 -7.819 1.00 0.00 H new ATOM 0 HD1 HIS A 28 17.164 7.144 -7.536 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.600 3.295 -7.633 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.195 5.652 -7.640 1.00 0.00 H new ATOM 420 N ASP A 29 19.670 8.879 -5.504 1.00 0.00 N ATOM 421 CA ASP A 29 18.825 10.074 -5.176 1.00 0.00 C ATOM 422 C ASP A 29 17.828 9.774 -4.043 1.00 0.00 C ATOM 423 O ASP A 29 17.808 8.684 -3.505 1.00 0.00 O ATOM 424 CB ASP A 29 18.050 10.487 -6.436 1.00 0.00 C ATOM 425 CG ASP A 29 19.024 10.844 -7.565 1.00 0.00 C ATOM 426 OD1 ASP A 29 19.569 11.933 -7.490 1.00 0.00 O ATOM 427 OD2 ASP A 29 19.169 10.007 -8.443 1.00 0.00 O ATOM 0 H ASP A 29 20.675 9.053 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 29 19.480 10.878 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 29 17.397 9.674 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.410 11.341 -6.214 1.00 0.00 H new ATOM 432 N HIS A 30 17.024 10.752 -3.705 1.00 0.00 N ATOM 433 CA HIS A 30 15.990 10.538 -2.652 1.00 0.00 C ATOM 434 C HIS A 30 14.882 9.677 -3.252 1.00 0.00 C ATOM 435 O HIS A 30 14.481 9.889 -4.380 1.00 0.00 O ATOM 436 CB HIS A 30 15.406 11.907 -2.246 1.00 0.00 C ATOM 437 CG HIS A 30 16.391 12.684 -1.364 1.00 0.00 C ATOM 438 ND1 HIS A 30 17.161 13.624 -1.762 1.00 0.00 N ATOM 439 CD2 HIS A 30 16.652 12.563 -0.013 1.00 0.00 C ATOM 440 CE1 HIS A 30 17.856 14.072 -0.777 1.00 0.00 C ATOM 441 NE2 HIS A 30 17.581 13.444 0.350 1.00 0.00 N ATOM 0 H HIS A 30 17.041 11.687 -4.113 1.00 0.00 H new ATOM 0 HA HIS A 30 16.420 10.050 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.176 12.488 -3.139 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.468 11.762 -1.710 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.173 11.858 0.650 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.580 14.869 -0.862 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.983 13.597 1.275 1.00 0.00 H new ATOM 449 N HIS A 31 14.417 8.720 -2.491 1.00 0.00 N ATOM 450 CA HIS A 31 13.278 7.855 -2.963 1.00 0.00 C ATOM 451 C HIS A 31 11.957 8.607 -2.655 1.00 0.00 C ATOM 452 O HIS A 31 11.518 8.645 -1.517 1.00 0.00 O ATOM 453 CB HIS A 31 13.358 6.438 -2.273 1.00 0.00 C ATOM 454 CG HIS A 31 14.233 6.491 -1.004 1.00 0.00 C ATOM 455 ND1 HIS A 31 15.461 6.832 -0.957 1.00 0.00 N ATOM 456 CD2 HIS A 31 13.901 6.234 0.315 1.00 0.00 C ATOM 457 CE1 HIS A 31 15.884 6.820 0.266 1.00 0.00 C ATOM 458 NE2 HIS A 31 14.946 6.446 1.113 1.00 0.00 N ATOM 0 H HIS A 31 14.773 8.495 -1.562 1.00 0.00 H new ATOM 0 HA HIS A 31 13.329 7.673 -4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.355 6.098 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.770 5.711 -2.973 1.00 0.00 H new ATOM 0 HD1 HIS A 31 16.029 7.079 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.928 5.907 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.889 7.086 0.559 1.00 0.00 H new ATOM 466 N THR A 32 11.356 9.205 -3.677 1.00 0.00 N ATOM 467 CA THR A 32 10.055 9.943 -3.479 1.00 0.00 C ATOM 468 C THR A 32 9.092 9.120 -2.599 1.00 0.00 C ATOM 469 O THR A 32 8.856 7.955 -2.855 1.00 0.00 O ATOM 470 CB THR A 32 9.419 10.221 -4.842 1.00 0.00 C ATOM 471 OG1 THR A 32 9.347 8.953 -5.466 1.00 0.00 O ATOM 472 CG2 THR A 32 10.343 11.042 -5.747 1.00 0.00 C ATOM 0 H THR A 32 11.712 9.211 -4.633 1.00 0.00 H new ATOM 0 HA THR A 32 10.255 10.887 -2.972 1.00 0.00 H new ATOM 0 HB THR A 32 8.475 10.749 -4.705 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.105 8.275 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.853 11.217 -6.705 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.562 11.998 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.272 10.496 -5.909 1.00 0.00 H new ATOM 480 N HIS A 33 8.563 9.765 -1.577 1.00 0.00 N ATOM 481 CA HIS A 33 7.802 9.097 -0.486 1.00 0.00 C ATOM 482 C HIS A 33 6.247 9.179 -0.552 1.00 0.00 C ATOM 483 O HIS A 33 5.697 9.837 -1.411 1.00 0.00 O ATOM 484 CB HIS A 33 8.353 9.869 0.742 1.00 0.00 C ATOM 485 CG HIS A 33 8.384 11.397 0.561 1.00 0.00 C ATOM 486 ND1 HIS A 33 7.648 12.234 -0.256 1.00 0.00 N flip ATOM 487 CD2 HIS A 33 9.164 12.179 1.210 1.00 0.00 C flip ATOM 488 CE1 HIS A 33 8.021 13.503 -0.052 1.00 0.00 C flip ATOM 489 NE2 HIS A 33 8.958 13.400 0.869 1.00 0.00 N flip ATOM 0 H HIS A 33 8.638 10.776 -1.460 1.00 0.00 H new ATOM 0 HA HIS A 33 7.944 8.016 -0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.742 9.629 1.612 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.363 9.518 0.955 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.892 11.857 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.645 14.397 -0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.460 14.195 1.264 1.00 0.00 H new ATOM 497 N PHE A 34 5.582 8.470 0.380 1.00 0.00 N ATOM 498 CA PHE A 34 4.061 8.489 0.515 1.00 0.00 C ATOM 499 C PHE A 34 3.670 9.045 1.904 1.00 0.00 C ATOM 500 O PHE A 34 4.358 8.831 2.910 1.00 0.00 O ATOM 501 CB PHE A 34 3.413 7.069 0.348 1.00 0.00 C ATOM 502 CG PHE A 34 3.264 6.681 -1.136 1.00 0.00 C ATOM 503 CD1 PHE A 34 2.427 7.435 -2.006 1.00 0.00 C ATOM 504 CD2 PHE A 34 3.942 5.549 -1.648 1.00 0.00 C ATOM 505 CE1 PHE A 34 2.281 7.053 -3.358 1.00 0.00 C ATOM 506 CE2 PHE A 34 3.792 5.169 -2.987 1.00 0.00 C ATOM 507 CZ PHE A 34 2.964 5.922 -3.845 1.00 0.00 C ATOM 0 H PHE A 34 6.047 7.870 1.062 1.00 0.00 H new ATOM 0 HA PHE A 34 3.684 9.124 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.027 6.327 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.434 7.057 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.902 8.301 -1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.583 4.972 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.647 7.627 -4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.310 4.299 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.853 5.630 -4.879 1.00 0.00 H new ATOM 517 N HIS A 35 2.529 9.718 1.890 1.00 0.00 N ATOM 518 CA HIS A 35 1.958 10.405 3.106 1.00 0.00 C ATOM 519 C HIS A 35 0.615 9.792 3.435 1.00 0.00 C ATOM 520 O HIS A 35 -0.307 9.820 2.639 1.00 0.00 O ATOM 521 CB HIS A 35 1.781 11.897 2.822 1.00 0.00 C ATOM 522 CG HIS A 35 1.532 12.761 4.068 1.00 0.00 C ATOM 523 ND1 HIS A 35 0.423 12.864 4.711 1.00 0.00 N ATOM 524 CD2 HIS A 35 2.390 13.628 4.710 1.00 0.00 C ATOM 525 CE1 HIS A 35 0.549 13.711 5.676 1.00 0.00 C ATOM 526 NE2 HIS A 35 1.764 14.225 5.724 1.00 0.00 N ATOM 0 H HIS A 35 1.953 9.820 1.054 1.00 0.00 H new ATOM 0 HA HIS A 35 2.638 10.280 3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.672 12.265 2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.945 12.026 2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.420 13.799 4.432 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.244 13.969 6.362 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.134 14.913 6.379 1.00 0.00 H new ATOM 534 N VAL A 36 0.553 9.278 4.624 1.00 0.00 N ATOM 535 CA VAL A 36 -0.701 8.608 5.142 1.00 0.00 C ATOM 536 C VAL A 36 -1.254 9.423 6.345 1.00 0.00 C ATOM 537 O VAL A 36 -0.572 9.593 7.399 1.00 0.00 O ATOM 538 CB VAL A 36 -0.358 7.131 5.527 1.00 0.00 C ATOM 539 CG1 VAL A 36 0.186 7.001 6.961 1.00 0.00 C ATOM 540 CG2 VAL A 36 -1.591 6.213 5.422 1.00 0.00 C ATOM 0 H VAL A 36 1.328 9.286 5.287 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.480 8.582 4.380 1.00 0.00 H new ATOM 0 HB VAL A 36 0.410 6.827 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.407 5.955 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.097 7.591 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.560 7.365 7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.312 5.196 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.369 6.571 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.965 6.222 4.398 1.00 0.00 H new ATOM 550 N GLU A 37 -2.517 9.819 6.122 1.00 0.00 N ATOM 551 CA GLU A 37 -3.249 10.859 6.914 1.00 0.00 C ATOM 552 C GLU A 37 -4.625 10.237 7.212 1.00 0.00 C ATOM 553 O GLU A 37 -4.945 9.228 6.621 1.00 0.00 O ATOM 554 CB GLU A 37 -3.340 12.134 5.992 1.00 0.00 C ATOM 555 CG GLU A 37 -4.622 12.991 6.203 1.00 0.00 C ATOM 556 CD GLU A 37 -4.581 13.711 7.555 1.00 0.00 C ATOM 557 OE1 GLU A 37 -3.531 14.264 7.835 1.00 0.00 O ATOM 558 OE2 GLU A 37 -5.601 13.669 8.228 1.00 0.00 O ATOM 0 H GLU A 37 -3.084 9.425 5.371 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.777 11.154 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.466 12.760 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.297 11.817 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.712 13.722 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.504 12.352 6.153 1.00 0.00 H new ATOM 565 N ASN A 38 -5.453 10.818 8.084 1.00 0.00 N ATOM 566 CA ASN A 38 -6.725 10.142 8.479 1.00 0.00 C ATOM 567 C ASN A 38 -7.965 10.571 7.680 1.00 0.00 C ATOM 568 O ASN A 38 -8.024 11.630 7.096 1.00 0.00 O ATOM 569 CB ASN A 38 -6.947 10.443 9.977 1.00 0.00 C ATOM 570 CG ASN A 38 -5.627 10.684 10.725 1.00 0.00 C ATOM 571 OD1 ASN A 38 -4.743 9.854 10.717 1.00 0.00 O ATOM 572 ND2 ASN A 38 -5.459 11.801 11.380 1.00 0.00 N ATOM 0 H ASN A 38 -5.289 11.723 8.525 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.611 9.079 8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.585 11.321 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.476 9.609 10.438 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.587 11.972 11.882 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.199 12.503 11.390 1.00 0.00 H new ATOM 579 N HIS A 39 -8.948 9.709 7.742 1.00 0.00 N ATOM 580 CA HIS A 39 -10.244 9.932 7.043 1.00 0.00 C ATOM 581 C HIS A 39 -11.337 9.129 7.772 1.00 0.00 C ATOM 582 O HIS A 39 -11.229 7.925 7.898 1.00 0.00 O ATOM 583 CB HIS A 39 -10.071 9.425 5.582 1.00 0.00 C ATOM 584 CG HIS A 39 -9.626 10.569 4.646 1.00 0.00 C ATOM 585 ND1 HIS A 39 -8.367 11.113 4.457 1.00 0.00 N flip ATOM 586 CD2 HIS A 39 -10.388 11.234 3.864 1.00 0.00 C flip ATOM 587 CE1 HIS A 39 -8.429 12.099 3.556 1.00 0.00 C flip ATOM 588 NE2 HIS A 39 -9.707 12.123 3.228 1.00 0.00 N flip ATOM 0 H HIS A 39 -8.901 8.835 8.265 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.530 10.984 7.039 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.333 8.623 5.557 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.011 9.005 5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.450 11.073 3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.629 12.723 3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.109 12.770 2.550 1.00 0.00 H new ATOM 596 N GLY A 40 -12.360 9.798 8.239 1.00 0.00 N ATOM 597 CA GLY A 40 -13.452 9.063 8.948 1.00 0.00 C ATOM 598 C GLY A 40 -12.885 8.142 10.040 1.00 0.00 C ATOM 599 O GLY A 40 -12.161 8.582 10.912 1.00 0.00 O ATOM 0 H GLY A 40 -12.487 10.807 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.144 9.777 9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.022 8.473 8.230 1.00 0.00 H new ATOM 603 N GLY A 41 -13.225 6.875 9.961 1.00 0.00 N ATOM 604 CA GLY A 41 -12.743 5.869 10.969 1.00 0.00 C ATOM 605 C GLY A 41 -11.616 5.021 10.373 1.00 0.00 C ATOM 606 O GLY A 41 -11.253 4.001 10.923 1.00 0.00 O ATOM 0 H GLY A 41 -13.824 6.489 9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.388 6.381 11.864 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.568 5.226 11.275 1.00 0.00 H new ATOM 610 N LYS A 42 -11.077 5.465 9.256 1.00 0.00 N ATOM 611 CA LYS A 42 -9.990 4.745 8.555 1.00 0.00 C ATOM 612 C LYS A 42 -8.980 5.777 8.103 1.00 0.00 C ATOM 613 O LYS A 42 -9.032 6.919 8.517 1.00 0.00 O ATOM 614 CB LYS A 42 -10.626 4.011 7.359 1.00 0.00 C ATOM 615 CG LYS A 42 -11.612 2.911 7.847 1.00 0.00 C ATOM 616 CD LYS A 42 -13.098 3.305 7.643 1.00 0.00 C ATOM 617 CE LYS A 42 -13.509 3.176 6.160 1.00 0.00 C ATOM 618 NZ LYS A 42 -14.993 3.215 6.028 1.00 0.00 N ATOM 0 H LYS A 42 -11.366 6.329 8.796 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.485 4.016 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.154 4.725 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.845 3.560 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.409 1.984 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.435 2.713 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.734 2.667 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.255 4.330 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.064 3.985 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.125 2.242 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.248 3.417 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.391 2.296 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.377 3.960 6.644 1.00 0.00 H new ATOM 632 N VAL A 43 -8.090 5.344 7.261 1.00 0.00 N ATOM 633 CA VAL A 43 -6.964 6.218 6.760 1.00 0.00 C ATOM 634 C VAL A 43 -6.734 6.148 5.250 1.00 0.00 C ATOM 635 O VAL A 43 -6.854 5.152 4.568 1.00 0.00 O ATOM 636 CB VAL A 43 -5.611 5.819 7.378 1.00 0.00 C ATOM 637 CG1 VAL A 43 -5.537 6.257 8.843 1.00 0.00 C ATOM 638 CG2 VAL A 43 -5.431 4.320 7.220 1.00 0.00 C ATOM 0 H VAL A 43 -8.084 4.397 6.881 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.285 7.219 7.049 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.796 6.325 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.574 5.966 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.647 7.340 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.337 5.778 9.407 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.477 4.021 7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.241 3.800 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.446 4.061 6.161 1.00 0.00 H new ATOM 648 N ALA A 44 -6.262 7.252 4.831 1.00 0.00 N ATOM 649 CA ALA A 44 -6.008 7.509 3.361 1.00 0.00 C ATOM 650 C ALA A 44 -4.542 7.770 3.025 1.00 0.00 C ATOM 651 O ALA A 44 -3.748 8.183 3.851 1.00 0.00 O ATOM 652 CB ALA A 44 -6.853 8.728 2.946 1.00 0.00 C ATOM 0 H ALA A 44 -6.023 8.034 5.440 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.285 6.608 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.692 8.940 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.908 8.514 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.558 9.594 3.538 1.00 0.00 H new ATOM 658 N LEU A 45 -4.280 7.523 1.758 1.00 0.00 N ATOM 659 CA LEU A 45 -2.899 7.713 1.144 1.00 0.00 C ATOM 660 C LEU A 45 -2.940 8.784 0.071 1.00 0.00 C ATOM 661 O LEU A 45 -3.758 8.762 -0.806 1.00 0.00 O ATOM 662 CB LEU A 45 -2.386 6.373 0.537 1.00 0.00 C ATOM 663 CG LEU A 45 -2.135 5.387 1.698 1.00 0.00 C ATOM 664 CD1 LEU A 45 -2.335 3.958 1.241 1.00 0.00 C ATOM 665 CD2 LEU A 45 -0.706 5.553 2.270 1.00 0.00 C ATOM 0 H LEU A 45 -4.981 7.187 1.097 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.214 8.029 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.120 5.964 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.469 6.537 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.856 5.614 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.153 3.280 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.357 3.829 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.639 3.734 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.556 4.846 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.025 5.360 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.579 6.570 2.642 1.00 0.00 H new ATOM 677 N LYS A 46 -2.044 9.716 0.208 1.00 0.00 N ATOM 678 CA LYS A 46 -1.961 10.878 -0.756 1.00 0.00 C ATOM 679 C LYS A 46 -0.491 11.370 -0.851 1.00 0.00 C ATOM 680 O LYS A 46 0.274 11.143 0.058 1.00 0.00 O ATOM 681 CB LYS A 46 -2.991 11.943 -0.212 1.00 0.00 C ATOM 682 CG LYS A 46 -2.355 13.124 0.593 1.00 0.00 C ATOM 683 CD LYS A 46 -1.911 14.285 -0.330 1.00 0.00 C ATOM 684 CE LYS A 46 -1.589 15.538 0.499 1.00 0.00 C ATOM 685 NZ LYS A 46 -0.559 15.242 1.535 1.00 0.00 N ATOM 0 H LYS A 46 -1.349 9.735 0.954 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.228 10.629 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.545 12.355 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.713 11.435 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.076 13.496 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.495 12.758 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.034 13.986 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.700 14.509 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.232 16.331 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.497 15.905 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.186 16.134 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.988 14.687 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.217 14.698 1.107 1.00 0.00 H new ATOM 699 N THR A 47 -0.094 12.014 -1.944 1.00 0.00 N ATOM 700 CA THR A 47 1.303 12.541 -2.038 1.00 0.00 C ATOM 701 C THR A 47 1.427 13.566 -3.175 1.00 0.00 C ATOM 702 O THR A 47 2.482 13.735 -3.754 1.00 0.00 O ATOM 703 CB THR A 47 2.288 11.396 -2.260 1.00 0.00 C ATOM 704 OG1 THR A 47 3.554 12.029 -2.387 1.00 0.00 O ATOM 705 CG2 THR A 47 2.058 10.697 -3.597 1.00 0.00 C ATOM 0 H THR A 47 -0.680 12.190 -2.760 1.00 0.00 H new ATOM 0 HA THR A 47 1.541 13.038 -1.097 1.00 0.00 H new ATOM 0 HB THR A 47 2.195 10.670 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.607 12.483 -3.254 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.780 9.889 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.048 10.288 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.181 11.414 -4.408 1.00 0.00 H new ATOM 713 N HIS A 48 0.339 14.229 -3.455 1.00 0.00 N ATOM 714 CA HIS A 48 0.330 15.253 -4.551 1.00 0.00 C ATOM 715 C HIS A 48 -1.007 16.004 -4.561 1.00 0.00 C ATOM 716 O HIS A 48 -1.350 16.658 -5.526 1.00 0.00 O ATOM 717 CB HIS A 48 0.517 14.562 -5.913 1.00 0.00 C ATOM 718 CG HIS A 48 0.645 15.625 -7.008 1.00 0.00 C ATOM 719 ND1 HIS A 48 0.960 16.846 -6.811 1.00 0.00 N ATOM 720 CD2 HIS A 48 0.459 15.524 -8.373 1.00 0.00 C ATOM 721 CE1 HIS A 48 0.981 17.484 -7.927 1.00 0.00 C ATOM 722 NE2 HIS A 48 0.674 16.708 -8.949 1.00 0.00 N ATOM 0 H HIS A 48 -0.551 14.109 -2.972 1.00 0.00 H new ATOM 0 HA HIS A 48 1.145 15.956 -4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.407 13.933 -5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.331 13.909 -6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.181 14.621 -8.896 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.222 18.533 -8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.615 16.953 -9.937 1.00 0.00 H new ATOM 730 N CYS A 49 -1.742 15.885 -3.483 1.00 0.00 N ATOM 731 CA CYS A 49 -3.080 16.563 -3.388 1.00 0.00 C ATOM 732 C CYS A 49 -3.900 16.375 -4.672 1.00 0.00 C ATOM 733 O CYS A 49 -4.541 17.291 -5.148 1.00 0.00 O ATOM 734 CB CYS A 49 -2.882 18.060 -3.109 1.00 0.00 C ATOM 735 SG CYS A 49 -2.117 19.073 -4.399 1.00 0.00 S ATOM 0 H CYS A 49 -1.475 15.346 -2.659 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.634 16.105 -2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.858 18.489 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.276 18.154 -2.208 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.718 18.308 -5.372 1.00 0.00 H new ATOM 741 N GLY A 50 -3.852 15.181 -5.198 1.00 0.00 N ATOM 742 CA GLY A 50 -4.604 14.885 -6.449 1.00 0.00 C ATOM 743 C GLY A 50 -4.528 13.377 -6.759 1.00 0.00 C ATOM 744 O GLY A 50 -5.041 12.949 -7.773 1.00 0.00 O ATOM 0 H GLY A 50 -3.324 14.397 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.644 15.191 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.188 15.458 -7.278 1.00 0.00 H new ATOM 748 N LYS A 51 -3.887 12.583 -5.893 1.00 0.00 N ATOM 749 CA LYS A 51 -3.774 11.098 -6.144 1.00 0.00 C ATOM 750 C LYS A 51 -4.064 10.307 -4.848 1.00 0.00 C ATOM 751 O LYS A 51 -3.491 10.581 -3.816 1.00 0.00 O ATOM 752 CB LYS A 51 -2.338 10.777 -6.595 1.00 0.00 C ATOM 753 CG LYS A 51 -1.935 11.565 -7.868 1.00 0.00 C ATOM 754 CD LYS A 51 -2.680 11.043 -9.119 1.00 0.00 C ATOM 755 CE LYS A 51 -2.026 11.591 -10.399 1.00 0.00 C ATOM 756 NZ LYS A 51 -2.790 11.160 -11.605 1.00 0.00 N ATOM 0 H LYS A 51 -3.444 12.907 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.496 10.815 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.644 11.013 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.250 9.708 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.156 12.623 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.859 11.482 -8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.663 9.953 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.727 11.345 -9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.987 12.679 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.997 11.238 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.334 11.539 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.806 10.121 -11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.764 11.518 -11.545 1.00 0.00 H new ATOM 770 N TYR A 52 -4.957 9.338 -4.941 1.00 0.00 N ATOM 771 CA TYR A 52 -5.318 8.432 -3.772 1.00 0.00 C ATOM 772 C TYR A 52 -5.090 6.986 -4.219 1.00 0.00 C ATOM 773 O TYR A 52 -5.381 6.695 -5.357 1.00 0.00 O ATOM 774 CB TYR A 52 -6.832 8.664 -3.415 1.00 0.00 C ATOM 775 CG TYR A 52 -6.941 9.874 -2.473 1.00 0.00 C ATOM 776 CD1 TYR A 52 -6.616 11.141 -2.984 1.00 0.00 C ATOM 777 CD2 TYR A 52 -7.231 9.736 -1.085 1.00 0.00 C ATOM 778 CE1 TYR A 52 -6.523 12.262 -2.133 1.00 0.00 C ATOM 779 CE2 TYR A 52 -7.140 10.869 -0.234 1.00 0.00 C ATOM 780 CZ TYR A 52 -6.787 12.130 -0.756 1.00 0.00 C ATOM 781 OH TYR A 52 -6.705 13.226 0.075 1.00 0.00 O ATOM 0 H TYR A 52 -5.467 9.127 -5.799 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.710 8.645 -2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.411 8.839 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.247 7.776 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.435 11.259 -4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.518 8.776 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.248 13.225 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.343 10.764 0.822 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.919 12.957 0.993 1.00 0.00 H new ATOM 791 N LEU A 53 -4.576 6.078 -3.368 1.00 0.00 N ATOM 792 CA LEU A 53 -4.434 4.663 -3.819 1.00 0.00 C ATOM 793 C LEU A 53 -5.784 4.229 -4.399 1.00 0.00 C ATOM 794 O LEU A 53 -6.817 4.718 -4.002 1.00 0.00 O ATOM 795 CB LEU A 53 -4.014 3.716 -2.633 1.00 0.00 C ATOM 796 CG LEU A 53 -2.476 3.434 -2.443 1.00 0.00 C ATOM 797 CD1 LEU A 53 -2.298 2.144 -1.577 1.00 0.00 C ATOM 798 CD2 LEU A 53 -1.715 3.226 -3.775 1.00 0.00 C ATOM 0 H LEU A 53 -4.265 6.272 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.647 4.592 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.395 4.146 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.518 2.759 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.056 4.316 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.236 1.941 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.767 2.291 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.767 1.299 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.662 3.037 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.139 2.374 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.808 4.121 -4.391 1.00 0.00 H new ATOM 810 N SER A 54 -5.724 3.350 -5.334 1.00 0.00 N ATOM 811 CA SER A 54 -6.970 2.816 -5.939 1.00 0.00 C ATOM 812 C SER A 54 -6.639 1.462 -6.528 1.00 0.00 C ATOM 813 O SER A 54 -5.485 1.162 -6.768 1.00 0.00 O ATOM 814 CB SER A 54 -7.441 3.781 -7.027 1.00 0.00 C ATOM 815 OG SER A 54 -7.434 5.048 -6.386 1.00 0.00 O ATOM 0 H SER A 54 -4.859 2.968 -5.717 1.00 0.00 H new ATOM 0 HA SER A 54 -7.767 2.714 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.775 3.766 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.436 3.521 -7.388 1.00 0.00 H new ATOM 0 HG SER A 54 -7.793 4.958 -5.479 1.00 0.00 H new ATOM 821 N ILE A 55 -7.641 0.651 -6.756 1.00 0.00 N ATOM 822 CA ILE A 55 -7.361 -0.720 -7.268 1.00 0.00 C ATOM 823 C ILE A 55 -8.554 -1.260 -8.056 1.00 0.00 C ATOM 824 O ILE A 55 -9.688 -1.035 -7.681 1.00 0.00 O ATOM 825 CB ILE A 55 -7.029 -1.566 -6.026 1.00 0.00 C ATOM 826 CG1 ILE A 55 -8.294 -1.746 -5.136 1.00 0.00 C ATOM 827 CG2 ILE A 55 -6.468 -2.921 -6.462 1.00 0.00 C ATOM 828 CD1 ILE A 55 -7.951 -2.298 -3.707 1.00 0.00 C ATOM 0 H ILE A 55 -8.625 0.876 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.528 -0.739 -7.971 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.274 -1.051 -5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.805 -0.788 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.987 -2.428 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.234 -3.518 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.208 -3.443 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.562 -2.768 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.868 -2.405 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.465 -3.269 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.281 -1.604 -3.200 1.00 0.00 H new ATOM 840 N GLY A 56 -8.290 -1.971 -9.148 1.00 0.00 N ATOM 841 CA GLY A 56 -9.427 -2.372 -10.058 1.00 0.00 C ATOM 842 C GLY A 56 -10.027 -3.737 -9.670 1.00 0.00 C ATOM 843 O GLY A 56 -11.190 -3.782 -9.331 1.00 0.00 O ATOM 0 H GLY A 56 -7.363 -2.281 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.206 -1.611 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.070 -2.413 -11.087 1.00 0.00 H new ATOM 847 N ASP A 57 -9.251 -4.810 -9.701 1.00 0.00 N ATOM 848 CA ASP A 57 -9.815 -6.175 -9.420 1.00 0.00 C ATOM 849 C ASP A 57 -8.764 -7.198 -9.863 1.00 0.00 C ATOM 850 O ASP A 57 -7.729 -6.821 -10.377 1.00 0.00 O ATOM 851 CB ASP A 57 -11.130 -6.416 -10.213 1.00 0.00 C ATOM 852 CG ASP A 57 -11.012 -5.767 -11.595 1.00 0.00 C ATOM 853 OD1 ASP A 57 -10.046 -6.094 -12.265 1.00 0.00 O ATOM 854 OD2 ASP A 57 -11.894 -4.982 -11.903 1.00 0.00 O ATOM 0 H ASP A 57 -8.253 -4.794 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.046 -6.267 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.316 -7.485 -10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.977 -5.995 -9.672 1.00 0.00 H new ATOM 859 N HIS A 58 -9.079 -8.454 -9.650 1.00 0.00 N ATOM 860 CA HIS A 58 -8.175 -9.575 -10.065 1.00 0.00 C ATOM 861 C HIS A 58 -6.720 -9.317 -9.634 1.00 0.00 C ATOM 862 O HIS A 58 -6.274 -9.842 -8.634 1.00 0.00 O ATOM 863 CB HIS A 58 -8.302 -9.761 -11.597 1.00 0.00 C ATOM 864 CG HIS A 58 -7.899 -11.182 -12.018 1.00 0.00 C ATOM 865 ND1 HIS A 58 -7.078 -11.475 -12.952 1.00 0.00 N ATOM 866 CD2 HIS A 58 -8.312 -12.404 -11.518 1.00 0.00 C ATOM 867 CE1 HIS A 58 -6.963 -12.753 -13.057 1.00 0.00 C ATOM 868 NE2 HIS A 58 -7.714 -13.393 -12.182 1.00 0.00 N ATOM 0 H HIS A 58 -9.942 -8.755 -9.197 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.476 -10.495 -9.565 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -9.329 -9.564 -11.906 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.670 -9.034 -12.108 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.015 -12.537 -10.709 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.326 -13.244 -13.778 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -7.813 -14.399 -12.046 1.00 0.00 H new ATOM 876 N LYS A 59 -6.004 -8.517 -10.390 1.00 0.00 N ATOM 877 CA LYS A 59 -4.611 -8.159 -10.021 1.00 0.00 C ATOM 878 C LYS A 59 -4.138 -6.892 -10.751 1.00 0.00 C ATOM 879 O LYS A 59 -3.042 -6.867 -11.276 1.00 0.00 O ATOM 880 CB LYS A 59 -3.694 -9.344 -10.353 1.00 0.00 C ATOM 881 CG LYS A 59 -3.798 -9.715 -11.852 1.00 0.00 C ATOM 882 CD LYS A 59 -3.153 -11.082 -12.090 1.00 0.00 C ATOM 883 CE LYS A 59 -3.150 -11.400 -13.589 1.00 0.00 C ATOM 884 NZ LYS A 59 -4.528 -11.299 -14.149 1.00 0.00 N ATOM 0 H LYS A 59 -6.337 -8.095 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.574 -7.944 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.663 -9.092 -10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.967 -10.204 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.843 -9.737 -12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.303 -8.958 -12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.133 -11.085 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.700 -11.852 -11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.488 -10.710 -14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.758 -12.404 -13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.763 -12.178 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.207 -11.150 -13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.576 -10.498 -14.810 1.00 0.00 H new ATOM 898 N GLN A 60 -4.969 -5.852 -10.771 1.00 0.00 N ATOM 899 CA GLN A 60 -4.576 -4.539 -11.397 1.00 0.00 C ATOM 900 C GLN A 60 -4.729 -3.419 -10.373 1.00 0.00 C ATOM 901 O GLN A 60 -5.657 -3.390 -9.580 1.00 0.00 O ATOM 902 CB GLN A 60 -5.459 -4.312 -12.637 1.00 0.00 C ATOM 903 CG GLN A 60 -6.883 -3.833 -12.287 1.00 0.00 C ATOM 904 CD GLN A 60 -7.750 -3.839 -13.552 1.00 0.00 C ATOM 905 OE1 GLN A 60 -7.323 -4.261 -14.608 1.00 0.00 O ATOM 906 NE2 GLN A 60 -8.969 -3.378 -13.485 1.00 0.00 N ATOM 0 H GLN A 60 -5.909 -5.866 -10.375 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.532 -4.551 -11.711 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.983 -3.575 -13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.524 -5.240 -13.204 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.321 -4.483 -11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.847 -2.830 -11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.332 -3.023 -12.600 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.559 -3.373 -14.317 1.00 0.00 H new ATOM 915 N VAL A 61 -3.800 -2.508 -10.451 1.00 0.00 N ATOM 916 CA VAL A 61 -3.680 -1.405 -9.437 1.00 0.00 C ATOM 917 C VAL A 61 -3.586 -0.020 -10.085 1.00 0.00 C ATOM 918 O VAL A 61 -3.070 0.121 -11.176 1.00 0.00 O ATOM 919 CB VAL A 61 -2.394 -1.677 -8.637 1.00 0.00 C ATOM 920 CG1 VAL A 61 -2.300 -0.703 -7.455 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.416 -3.122 -8.113 1.00 0.00 C ATOM 0 H VAL A 61 -3.099 -2.475 -11.191 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.570 -1.398 -8.808 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.529 -1.536 -9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.388 -0.901 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.282 0.321 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.164 -0.837 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.506 -3.317 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.283 -3.262 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.475 -3.813 -8.954 1.00 0.00 H new ATOM 931 N TYR A 62 -4.091 0.982 -9.387 1.00 0.00 N ATOM 932 CA TYR A 62 -3.970 2.392 -9.919 1.00 0.00 C ATOM 933 C TYR A 62 -4.290 3.458 -8.849 1.00 0.00 C ATOM 934 O TYR A 62 -4.442 3.154 -7.679 1.00 0.00 O ATOM 935 CB TYR A 62 -4.870 2.579 -11.154 1.00 0.00 C ATOM 936 CG TYR A 62 -6.353 2.594 -10.755 1.00 0.00 C ATOM 937 CD1 TYR A 62 -7.060 1.383 -10.599 1.00 0.00 C ATOM 938 CD2 TYR A 62 -7.030 3.819 -10.548 1.00 0.00 C ATOM 939 CE1 TYR A 62 -8.425 1.393 -10.245 1.00 0.00 C ATOM 940 CE2 TYR A 62 -8.394 3.829 -10.193 1.00 0.00 C ATOM 941 CZ TYR A 62 -9.101 2.617 -10.041 1.00 0.00 C ATOM 942 OH TYR A 62 -10.436 2.627 -9.696 1.00 0.00 O ATOM 0 H TYR A 62 -4.571 0.890 -8.492 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.929 2.536 -10.209 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.615 3.512 -11.657 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.689 1.774 -11.866 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.552 0.442 -10.752 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.498 4.752 -10.663 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.957 0.460 -10.129 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.901 4.770 -10.036 1.00 0.00 H new ATOM 0 HH TYR A 62 -10.741 3.553 -9.594 1.00 0.00 H new ATOM 952 N LEU A 63 -4.379 4.704 -9.299 1.00 0.00 N ATOM 953 CA LEU A 63 -4.551 5.901 -8.379 1.00 0.00 C ATOM 954 C LEU A 63 -5.812 6.730 -8.758 1.00 0.00 C ATOM 955 O LEU A 63 -6.006 7.062 -9.911 1.00 0.00 O ATOM 956 CB LEU A 63 -3.267 6.785 -8.553 1.00 0.00 C ATOM 957 CG LEU A 63 -2.156 6.464 -7.509 1.00 0.00 C ATOM 958 CD1 LEU A 63 -1.889 4.937 -7.415 1.00 0.00 C ATOM 959 CD2 LEU A 63 -0.849 7.209 -7.908 1.00 0.00 C ATOM 0 H LEU A 63 -4.339 4.947 -10.289 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.681 5.570 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.867 6.640 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.543 7.836 -8.469 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.494 6.802 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.109 4.749 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.803 4.426 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.567 4.563 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.068 6.988 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.529 6.878 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.034 8.283 -7.927 1.00 0.00 H new ATOM 971 N SER A 64 -6.637 7.044 -7.763 1.00 0.00 N ATOM 972 CA SER A 64 -7.856 7.922 -7.963 1.00 0.00 C ATOM 973 C SER A 64 -7.757 9.271 -7.193 1.00 0.00 C ATOM 974 O SER A 64 -6.698 9.851 -7.107 1.00 0.00 O ATOM 975 CB SER A 64 -9.058 7.127 -7.461 1.00 0.00 C ATOM 976 OG SER A 64 -10.182 7.832 -7.968 1.00 0.00 O ATOM 0 H SER A 64 -6.511 6.721 -6.804 1.00 0.00 H new ATOM 0 HA SER A 64 -7.945 8.180 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.036 6.100 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.077 7.079 -6.372 1.00 0.00 H new ATOM 0 HG SER A 64 -10.894 7.841 -7.294 1.00 0.00 H new ATOM 982 N HIS A 65 -8.880 9.742 -6.633 1.00 0.00 N ATOM 983 CA HIS A 65 -8.947 11.105 -5.940 1.00 0.00 C ATOM 984 C HIS A 65 -9.349 10.969 -4.449 1.00 0.00 C ATOM 985 O HIS A 65 -9.512 9.881 -3.935 1.00 0.00 O ATOM 986 CB HIS A 65 -10.034 11.967 -6.698 1.00 0.00 C ATOM 987 CG HIS A 65 -9.435 13.169 -7.438 1.00 0.00 C ATOM 988 ND1 HIS A 65 -9.855 14.370 -7.332 1.00 0.00 N ATOM 989 CD2 HIS A 65 -8.391 13.237 -8.338 1.00 0.00 C ATOM 990 CE1 HIS A 65 -9.166 15.148 -8.087 1.00 0.00 C ATOM 991 NE2 HIS A 65 -8.227 14.496 -8.746 1.00 0.00 N ATOM 0 H HIS A 65 -9.763 9.231 -6.628 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.965 11.576 -5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.560 11.333 -7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.774 12.321 -5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.796 12.396 -8.663 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.335 16.211 -8.172 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.543 14.865 -9.406 1.00 0.00 H new ATOM 999 N HIS A 66 -9.514 12.108 -3.793 1.00 0.00 N ATOM 1000 CA HIS A 66 -9.953 12.077 -2.354 1.00 0.00 C ATOM 1001 C HIS A 66 -11.377 11.549 -2.311 1.00 0.00 C ATOM 1002 O HIS A 66 -12.150 11.749 -3.227 1.00 0.00 O ATOM 1003 CB HIS A 66 -9.847 13.457 -1.670 1.00 0.00 C ATOM 1004 CG HIS A 66 -10.834 14.447 -2.291 1.00 0.00 C ATOM 1005 ND1 HIS A 66 -12.208 14.514 -2.164 1.00 0.00 N flip ATOM 1006 CD2 HIS A 66 -10.528 15.419 -3.059 1.00 0.00 C flip ATOM 1007 CE1 HIS A 66 -12.679 15.540 -2.873 1.00 0.00 C flip ATOM 1008 NE2 HIS A 66 -11.590 16.060 -3.404 1.00 0.00 N flip ATOM 0 H HIS A 66 -9.366 13.037 -4.186 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.286 11.422 -1.794 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.048 13.356 -0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.831 13.839 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.525 15.668 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.703 15.866 -2.985 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.589 16.875 -4.017 1.00 0.00 H new ATOM 1016 N LEU A 67 -11.701 10.874 -1.241 1.00 0.00 N ATOM 1017 CA LEU A 67 -12.978 10.103 -1.224 1.00 0.00 C ATOM 1018 C LEU A 67 -13.225 9.607 0.212 1.00 0.00 C ATOM 1019 O LEU A 67 -12.283 9.354 0.928 1.00 0.00 O ATOM 1020 CB LEU A 67 -12.752 8.986 -2.315 1.00 0.00 C ATOM 1021 CG LEU A 67 -13.352 7.581 -2.073 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -12.829 6.893 -0.766 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -14.839 7.629 -2.116 1.00 0.00 C ATOM 0 H LEU A 67 -11.145 10.823 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.883 10.657 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.152 9.359 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.677 8.868 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 67 -13.003 6.950 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.292 5.912 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.746 6.779 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.084 7.509 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.240 6.630 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.204 8.305 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.163 7.987 -3.093 1.00 0.00 H new ATOM 1035 N HIS A 68 -14.484 9.520 0.614 1.00 0.00 N ATOM 1036 CA HIS A 68 -14.869 8.875 1.940 1.00 0.00 C ATOM 1037 C HIS A 68 -15.574 7.534 1.659 1.00 0.00 C ATOM 1038 O HIS A 68 -16.558 7.494 0.948 1.00 0.00 O ATOM 1039 CB HIS A 68 -15.839 9.749 2.751 1.00 0.00 C ATOM 1040 CG HIS A 68 -15.145 11.034 3.207 1.00 0.00 C ATOM 1041 ND1 HIS A 68 -13.874 11.242 3.724 1.00 0.00 N flip ATOM 1042 CD2 HIS A 68 -15.681 12.191 3.195 1.00 0.00 C flip ATOM 1043 CE1 HIS A 68 -13.704 12.534 4.002 1.00 0.00 C flip ATOM 1044 NE2 HIS A 68 -14.858 13.067 3.652 1.00 0.00 N flip ATOM 0 H HIS A 68 -15.275 9.872 0.075 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.953 8.742 2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.711 9.995 2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -16.199 9.195 3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.682 12.404 2.851 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -12.834 13.024 4.413 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.073 14.061 3.734 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.057 6.462 2.218 1.00 0.00 N ATOM 1053 CA GLY A 69 -15.675 5.110 2.001 1.00 0.00 C ATOM 1054 C GLY A 69 -14.616 4.024 2.187 1.00 0.00 C ATOM 1055 O GLY A 69 -14.218 3.719 3.293 1.00 0.00 O ATOM 0 H GLY A 69 -14.231 6.465 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.494 4.957 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.099 5.050 0.999 1.00 0.00 H new ATOM 1059 N ASP A 70 -14.187 3.468 1.090 1.00 0.00 N ATOM 1060 CA ASP A 70 -13.126 2.412 1.124 1.00 0.00 C ATOM 1061 C ASP A 70 -12.713 2.139 -0.361 1.00 0.00 C ATOM 1062 O ASP A 70 -13.500 2.547 -1.182 1.00 0.00 O ATOM 1063 CB ASP A 70 -13.781 1.161 1.730 1.00 0.00 C ATOM 1064 CG ASP A 70 -12.812 -0.015 1.725 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -12.410 -0.357 0.636 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -12.538 -0.506 2.809 1.00 0.00 O ATOM 0 H ASP A 70 -14.528 3.700 0.157 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.249 2.697 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.100 1.371 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.676 0.903 1.163 1.00 0.00 H new ATOM 1071 N HIS A 71 -11.551 1.509 -0.711 1.00 0.00 N ATOM 1072 CA HIS A 71 -11.207 1.145 -2.150 1.00 0.00 C ATOM 1073 C HIS A 71 -10.279 2.216 -2.717 1.00 0.00 C ATOM 1074 O HIS A 71 -9.307 1.932 -3.389 1.00 0.00 O ATOM 1075 CB HIS A 71 -12.455 0.988 -3.053 1.00 0.00 C ATOM 1076 CG HIS A 71 -12.134 0.245 -4.356 1.00 0.00 C ATOM 1077 ND1 HIS A 71 -12.383 0.690 -5.528 1.00 0.00 N ATOM 1078 CD2 HIS A 71 -11.568 -0.998 -4.567 1.00 0.00 C ATOM 1079 CE1 HIS A 71 -12.020 -0.165 -6.416 1.00 0.00 C ATOM 1080 NE2 HIS A 71 -11.500 -1.250 -5.875 1.00 0.00 N ATOM 0 H HIS A 71 -10.835 1.239 -0.036 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.716 0.172 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -13.230 0.447 -2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.858 1.973 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.231 -1.666 -3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -12.128 -0.013 -7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -11.135 -2.080 -6.343 1.00 0.00 H new ATOM 1088 N SER A 72 -10.625 3.441 -2.423 1.00 0.00 N ATOM 1089 CA SER A 72 -9.809 4.628 -2.871 1.00 0.00 C ATOM 1090 C SER A 72 -8.952 5.067 -1.673 1.00 0.00 C ATOM 1091 O SER A 72 -7.757 5.246 -1.764 1.00 0.00 O ATOM 1092 CB SER A 72 -10.786 5.729 -3.318 1.00 0.00 C ATOM 1093 OG SER A 72 -10.109 6.441 -4.337 1.00 0.00 O ATOM 0 H SER A 72 -11.454 3.682 -1.881 1.00 0.00 H new ATOM 0 HA SER A 72 -9.150 4.399 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.717 5.301 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.046 6.385 -2.487 1.00 0.00 H new ATOM 0 HG SER A 72 -10.683 7.162 -4.669 1.00 0.00 H new ATOM 1099 N LEU A 73 -9.632 5.279 -0.581 1.00 0.00 N ATOM 1100 CA LEU A 73 -8.970 5.376 0.755 1.00 0.00 C ATOM 1101 C LEU A 73 -9.040 3.969 1.300 1.00 0.00 C ATOM 1102 O LEU A 73 -9.678 3.096 0.745 1.00 0.00 O ATOM 1103 CB LEU A 73 -9.605 6.518 1.587 1.00 0.00 C ATOM 1104 CG LEU A 73 -10.631 5.988 2.625 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -9.941 5.469 3.935 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -11.563 7.140 2.955 1.00 0.00 C ATOM 0 H LEU A 73 -10.645 5.392 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.923 5.678 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.819 7.069 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.099 7.222 0.917 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.168 5.139 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.701 5.109 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.259 4.655 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.382 6.282 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.304 6.811 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.987 7.967 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.069 7.470 2.048 1.00 0.00 H new ATOM 1118 N PHE A 74 -8.372 3.804 2.370 1.00 0.00 N ATOM 1119 CA PHE A 74 -8.138 2.421 2.903 1.00 0.00 C ATOM 1120 C PHE A 74 -8.167 2.360 4.423 1.00 0.00 C ATOM 1121 O PHE A 74 -8.198 3.333 5.142 1.00 0.00 O ATOM 1122 CB PHE A 74 -6.763 1.977 2.392 1.00 0.00 C ATOM 1123 CG PHE A 74 -6.816 1.653 0.885 1.00 0.00 C ATOM 1124 CD1 PHE A 74 -6.727 2.673 -0.079 1.00 0.00 C ATOM 1125 CD2 PHE A 74 -7.000 0.315 0.454 1.00 0.00 C ATOM 1126 CE1 PHE A 74 -6.829 2.360 -1.451 1.00 0.00 C ATOM 1127 CE2 PHE A 74 -7.096 0.004 -0.913 1.00 0.00 C ATOM 1128 CZ PHE A 74 -7.014 1.029 -1.869 1.00 0.00 C ATOM 0 H PHE A 74 -7.963 4.557 2.923 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.938 1.765 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.031 2.764 2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.431 1.099 2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.580 3.697 0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.067 -0.476 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.765 3.148 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.232 -1.020 -1.227 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.093 0.797 -2.921 1.00 0.00 H new ATOM 1138 N HIS A 75 -8.145 1.141 4.846 1.00 0.00 N ATOM 1139 CA HIS A 75 -8.106 0.782 6.284 1.00 0.00 C ATOM 1140 C HIS A 75 -6.883 -0.080 6.409 1.00 0.00 C ATOM 1141 O HIS A 75 -6.808 -1.175 5.887 1.00 0.00 O ATOM 1142 CB HIS A 75 -9.317 -0.043 6.636 1.00 0.00 C ATOM 1143 CG HIS A 75 -9.546 -0.082 8.157 1.00 0.00 C ATOM 1144 ND1 HIS A 75 -9.183 0.829 8.976 1.00 0.00 N ATOM 1145 CD2 HIS A 75 -10.141 -1.047 8.947 1.00 0.00 C ATOM 1146 CE1 HIS A 75 -9.510 0.504 10.176 1.00 0.00 C ATOM 1147 NE2 HIS A 75 -10.115 -0.667 10.225 1.00 0.00 N ATOM 0 H HIS A 75 -8.153 0.334 4.222 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.091 1.657 6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.197 0.372 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.190 -1.058 6.259 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.564 -1.972 8.583 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.313 1.118 11.042 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.475 -1.161 11.041 1.00 0.00 H new ATOM 1155 N LEU A 76 -5.973 0.458 7.078 1.00 0.00 N ATOM 1156 CA LEU A 76 -4.652 -0.075 7.201 1.00 0.00 C ATOM 1157 C LEU A 76 -4.344 -0.112 8.705 1.00 0.00 C ATOM 1158 O LEU A 76 -4.762 0.749 9.453 1.00 0.00 O ATOM 1159 CB LEU A 76 -3.903 0.950 6.276 1.00 0.00 C ATOM 1160 CG LEU A 76 -2.708 1.571 6.983 1.00 0.00 C ATOM 1161 CD1 LEU A 76 -1.620 0.469 7.218 1.00 0.00 C ATOM 1162 CD2 LEU A 76 -2.135 2.717 6.140 1.00 0.00 C ATOM 0 H LEU A 76 -6.107 1.328 7.593 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.402 -1.090 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.569 0.446 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.593 1.735 5.968 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.022 1.977 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.761 0.908 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.036 -0.328 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.305 0.058 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.280 3.155 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.817 2.332 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.900 3.479 5.994 1.00 0.00 H new ATOM 1174 N GLU A 77 -3.612 -1.114 9.107 1.00 0.00 N ATOM 1175 CA GLU A 77 -3.419 -1.364 10.570 1.00 0.00 C ATOM 1176 C GLU A 77 -2.159 -2.210 10.807 1.00 0.00 C ATOM 1177 O GLU A 77 -1.770 -3.015 9.977 1.00 0.00 O ATOM 1178 CB GLU A 77 -4.707 -2.091 11.040 1.00 0.00 C ATOM 1179 CG GLU A 77 -4.539 -2.838 12.379 1.00 0.00 C ATOM 1180 CD GLU A 77 -3.890 -1.929 13.426 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -4.385 -0.823 13.565 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -2.936 -2.394 14.028 1.00 0.00 O ATOM 0 H GLU A 77 -3.138 -1.772 8.489 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.269 -0.443 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.511 -1.361 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.014 -2.802 10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.511 -3.177 12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.926 -3.727 12.231 1.00 0.00 H new ATOM 1189 N HIS A 78 -1.557 -1.990 11.948 1.00 0.00 N ATOM 1190 CA HIS A 78 -0.314 -2.732 12.298 1.00 0.00 C ATOM 1191 C HIS A 78 -0.602 -4.222 12.458 1.00 0.00 C ATOM 1192 O HIS A 78 -1.724 -4.665 12.351 1.00 0.00 O ATOM 1193 CB HIS A 78 0.259 -2.168 13.595 1.00 0.00 C ATOM 1194 CG HIS A 78 0.712 -0.718 13.373 1.00 0.00 C ATOM 1195 ND1 HIS A 78 1.005 -0.209 12.238 1.00 0.00 N ATOM 1196 CD2 HIS A 78 0.907 0.310 14.278 1.00 0.00 C ATOM 1197 CE1 HIS A 78 1.353 1.021 12.377 1.00 0.00 C ATOM 1198 NE2 HIS A 78 1.313 1.407 13.637 1.00 0.00 N ATOM 0 H HIS A 78 -1.876 -1.326 12.653 1.00 0.00 H new ATOM 0 HA HIS A 78 0.411 -2.611 11.493 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -0.493 -2.208 14.383 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.101 -2.776 13.926 1.00 0.00 H new ATOM 0 HD2 HIS A 78 0.753 0.235 15.344 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.644 1.662 11.558 1.00 0.00 H new ATOM 0 HE2 HIS A 78 1.538 2.322 14.027 1.00 0.00 H new ATOM 1206 N HIS A 79 0.432 -4.973 12.712 1.00 0.00 N ATOM 1207 CA HIS A 79 0.265 -6.450 12.842 1.00 0.00 C ATOM 1208 C HIS A 79 1.471 -7.080 13.543 1.00 0.00 C ATOM 1209 O HIS A 79 2.371 -7.581 12.902 1.00 0.00 O ATOM 1210 CB HIS A 79 0.157 -6.970 11.414 1.00 0.00 C ATOM 1211 CG HIS A 79 -0.183 -8.458 11.400 1.00 0.00 C ATOM 1212 ND1 HIS A 79 -0.396 -9.186 12.426 1.00 0.00 N ATOM 1213 CD2 HIS A 79 -0.331 -9.308 10.324 1.00 0.00 C ATOM 1214 CE1 HIS A 79 -0.654 -10.394 12.064 1.00 0.00 C ATOM 1215 NE2 HIS A 79 -0.630 -10.535 10.752 1.00 0.00 N ATOM 0 H HIS A 79 1.385 -4.631 12.835 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.611 -6.700 13.440 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.610 -6.413 10.877 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.098 -6.803 10.890 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.221 -9.022 9.288 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.865 -11.198 12.753 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.799 -11.376 10.201 1.00 0.00 H new ATOM 1223 N GLY A 80 1.457 -7.043 14.850 1.00 0.00 N ATOM 1224 CA GLY A 80 2.590 -7.633 15.619 1.00 0.00 C ATOM 1225 C GLY A 80 3.871 -6.836 15.373 1.00 0.00 C ATOM 1226 O GLY A 80 4.285 -6.048 16.200 1.00 0.00 O ATOM 0 H GLY A 80 0.714 -6.632 15.415 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.354 -7.635 16.683 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.737 -8.672 15.323 1.00 0.00 H new ATOM 1230 N GLY A 81 4.475 -7.060 14.229 1.00 0.00 N ATOM 1231 CA GLY A 81 5.736 -6.333 13.851 1.00 0.00 C ATOM 1232 C GLY A 81 5.638 -5.870 12.399 1.00 0.00 C ATOM 1233 O GLY A 81 6.517 -5.197 11.899 1.00 0.00 O ATOM 0 H GLY A 81 4.145 -7.725 13.530 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.886 -5.476 14.508 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.598 -6.987 13.978 1.00 0.00 H new ATOM 1237 N LYS A 82 4.558 -6.242 11.742 1.00 0.00 N ATOM 1238 CA LYS A 82 4.303 -5.877 10.340 1.00 0.00 C ATOM 1239 C LYS A 82 3.046 -4.982 10.275 1.00 0.00 C ATOM 1240 O LYS A 82 2.611 -4.438 11.271 1.00 0.00 O ATOM 1241 CB LYS A 82 4.052 -7.200 9.582 1.00 0.00 C ATOM 1242 CG LYS A 82 4.851 -8.410 10.102 1.00 0.00 C ATOM 1243 CD LYS A 82 6.354 -8.206 9.882 1.00 0.00 C ATOM 1244 CE LYS A 82 7.104 -9.464 10.339 1.00 0.00 C ATOM 1245 NZ LYS A 82 6.692 -9.855 11.717 1.00 0.00 N ATOM 0 H LYS A 82 3.820 -6.810 12.158 1.00 0.00 H new ATOM 0 HA LYS A 82 5.139 -5.331 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.989 -7.436 9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.293 -7.050 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.651 -8.554 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.524 -9.315 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.557 -8.009 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.701 -7.337 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.904 -10.283 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.178 -9.282 10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.385 -10.524 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.648 -9.009 12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.755 -10.306 11.685 1.00 0.00 H new ATOM 1259 N VAL A 83 2.497 -4.859 9.090 1.00 0.00 N ATOM 1260 CA VAL A 83 1.280 -4.078 8.847 1.00 0.00 C ATOM 1261 C VAL A 83 0.524 -4.733 7.694 1.00 0.00 C ATOM 1262 O VAL A 83 1.020 -5.580 6.980 1.00 0.00 O ATOM 1263 CB VAL A 83 1.735 -2.655 8.450 1.00 0.00 C ATOM 1264 CG1 VAL A 83 2.892 -2.729 7.465 1.00 0.00 C ATOM 1265 CG2 VAL A 83 0.609 -1.836 7.817 1.00 0.00 C ATOM 0 H VAL A 83 2.877 -5.298 8.251 1.00 0.00 H new ATOM 0 HA VAL A 83 0.630 -4.035 9.721 1.00 0.00 H new ATOM 0 HB VAL A 83 2.044 -2.159 9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.203 -1.720 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.728 -3.255 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.574 -3.264 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.982 -0.845 7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.255 -2.339 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.214 -1.740 8.526 1.00 0.00 H new ATOM 1275 N SER A 84 -0.666 -4.266 7.551 1.00 0.00 N ATOM 1276 CA SER A 84 -1.596 -4.751 6.484 1.00 0.00 C ATOM 1277 C SER A 84 -2.476 -3.599 6.000 1.00 0.00 C ATOM 1278 O SER A 84 -2.848 -2.741 6.770 1.00 0.00 O ATOM 1279 CB SER A 84 -2.467 -5.855 7.086 1.00 0.00 C ATOM 1280 OG SER A 84 -1.535 -6.720 7.719 1.00 0.00 O ATOM 0 H SER A 84 -1.061 -3.539 8.147 1.00 0.00 H new ATOM 0 HA SER A 84 -1.032 -5.134 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.186 -5.452 7.799 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.038 -6.377 6.318 1.00 0.00 H new ATOM 0 HG SER A 84 -1.134 -7.314 7.051 1.00 0.00 H new ATOM 1286 N ILE A 85 -2.783 -3.607 4.719 1.00 0.00 N ATOM 1287 CA ILE A 85 -3.662 -2.545 4.104 1.00 0.00 C ATOM 1288 C ILE A 85 -4.902 -3.237 3.583 1.00 0.00 C ATOM 1289 O ILE A 85 -4.803 -4.350 3.127 1.00 0.00 O ATOM 1290 CB ILE A 85 -2.916 -1.846 2.971 1.00 0.00 C ATOM 1291 CG1 ILE A 85 -1.579 -1.332 3.549 1.00 0.00 C ATOM 1292 CG2 ILE A 85 -3.752 -0.649 2.383 1.00 0.00 C ATOM 1293 CD1 ILE A 85 -0.682 -0.887 2.434 1.00 0.00 C ATOM 0 H ILE A 85 -2.457 -4.315 4.061 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.933 -1.786 4.838 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.746 -2.546 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.763 -0.504 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.094 -2.120 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.191 -0.174 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.699 -1.023 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.946 0.080 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.260 -0.525 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.487 -1.727 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.165 -0.085 1.876 1.00 0.00 H new ATOM 1305 N LYS A 86 -6.045 -2.583 3.664 1.00 0.00 N ATOM 1306 CA LYS A 86 -7.316 -3.242 3.193 1.00 0.00 C ATOM 1307 C LYS A 86 -8.367 -2.303 2.600 1.00 0.00 C ATOM 1308 O LYS A 86 -8.630 -1.225 3.100 1.00 0.00 O ATOM 1309 CB LYS A 86 -7.868 -3.962 4.430 1.00 0.00 C ATOM 1310 CG LYS A 86 -9.316 -4.564 4.260 1.00 0.00 C ATOM 1311 CD LYS A 86 -10.419 -3.728 4.986 1.00 0.00 C ATOM 1312 CE LYS A 86 -11.736 -4.547 5.239 1.00 0.00 C ATOM 1313 NZ LYS A 86 -12.881 -3.930 4.515 1.00 0.00 N ATOM 0 H LYS A 86 -6.153 -1.637 4.030 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.084 -3.905 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.185 -4.768 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.878 -3.262 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.555 -4.625 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.327 -5.583 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.029 -3.371 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.653 -2.847 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.600 -5.576 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.950 -4.582 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.690 -4.584 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.150 -3.041 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.605 -3.733 3.532 1.00 0.00 H new ATOM 1327 N GLY A 87 -8.938 -2.790 1.505 1.00 0.00 N ATOM 1328 CA GLY A 87 -9.999 -2.050 0.738 1.00 0.00 C ATOM 1329 C GLY A 87 -11.336 -2.821 0.796 1.00 0.00 C ATOM 1330 O GLY A 87 -11.570 -3.565 1.728 1.00 0.00 O ATOM 0 H GLY A 87 -8.700 -3.698 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.129 -1.051 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.688 -1.925 -0.299 1.00 0.00 H new ATOM 1334 N HIS A 88 -12.194 -2.636 -0.194 1.00 0.00 N ATOM 1335 CA HIS A 88 -13.541 -3.291 -0.159 1.00 0.00 C ATOM 1336 C HIS A 88 -13.434 -4.802 -0.414 1.00 0.00 C ATOM 1337 O HIS A 88 -12.361 -5.361 -0.372 1.00 0.00 O ATOM 1338 CB HIS A 88 -14.431 -2.613 -1.213 1.00 0.00 C ATOM 1339 CG HIS A 88 -15.920 -2.888 -0.954 1.00 0.00 C ATOM 1340 ND1 HIS A 88 -16.487 -2.857 0.190 1.00 0.00 N ATOM 1341 CD2 HIS A 88 -16.931 -3.214 -1.839 1.00 0.00 C ATOM 1342 CE1 HIS A 88 -17.737 -3.133 0.073 1.00 0.00 C ATOM 1343 NE2 HIS A 88 -18.080 -3.367 -1.179 1.00 0.00 N ATOM 0 H HIS A 88 -12.014 -2.062 -1.017 1.00 0.00 H new ATOM 0 HA HIS A 88 -13.982 -3.172 0.831 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -14.252 -1.538 -1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -14.161 -2.974 -2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -16.809 -3.328 -2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -18.426 -3.169 0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -18.999 -3.606 -1.551 1.00 0.00 H new ATOM 1351 N HIS A 89 -14.559 -5.434 -0.666 1.00 0.00 N ATOM 1352 CA HIS A 89 -14.590 -6.922 -0.894 1.00 0.00 C ATOM 1353 C HIS A 89 -13.690 -7.670 0.095 1.00 0.00 C ATOM 1354 O HIS A 89 -13.243 -8.773 -0.147 1.00 0.00 O ATOM 1355 CB HIS A 89 -14.163 -7.233 -2.329 1.00 0.00 C ATOM 1356 CG HIS A 89 -15.063 -6.469 -3.304 1.00 0.00 C ATOM 1357 ND1 HIS A 89 -14.652 -5.688 -4.228 1.00 0.00 N ATOM 1358 CD2 HIS A 89 -16.441 -6.444 -3.409 1.00 0.00 C ATOM 1359 CE1 HIS A 89 -15.652 -5.200 -4.873 1.00 0.00 C ATOM 1360 NE2 HIS A 89 -16.806 -5.637 -4.406 1.00 0.00 N ATOM 0 H HIS A 89 -15.470 -4.978 -0.725 1.00 0.00 H new ATOM 0 HA HIS A 89 -15.612 -7.264 -0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -13.121 -6.949 -2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -14.232 -8.305 -2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -17.121 -6.996 -2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -15.558 -4.512 -5.701 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -17.747 -5.412 -4.729 1.00 0.00 H new ATOM 1368 N HIS A 90 -13.465 -7.014 1.189 1.00 0.00 N ATOM 1369 CA HIS A 90 -12.618 -7.576 2.274 1.00 0.00 C ATOM 1370 C HIS A 90 -11.262 -8.052 1.748 1.00 0.00 C ATOM 1371 O HIS A 90 -10.719 -9.015 2.254 1.00 0.00 O ATOM 1372 CB HIS A 90 -13.354 -8.746 2.942 1.00 0.00 C ATOM 1373 CG HIS A 90 -12.601 -9.171 4.210 1.00 0.00 C ATOM 1374 ND1 HIS A 90 -11.810 -10.169 4.300 1.00 0.00 N ATOM 1375 CD2 HIS A 90 -12.596 -8.605 5.473 1.00 0.00 C ATOM 1376 CE1 HIS A 90 -11.334 -10.254 5.492 1.00 0.00 C ATOM 1377 NE2 HIS A 90 -11.791 -9.298 6.278 1.00 0.00 N ATOM 0 H HIS A 90 -13.841 -6.086 1.385 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.432 -6.785 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.373 -8.452 3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -13.426 -9.586 2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -13.161 -7.731 5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.641 -11.018 5.812 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.580 -9.130 7.262 1.00 0.00 H new ATOM 1385 N HIS A 91 -10.730 -7.378 0.747 1.00 0.00 N ATOM 1386 CA HIS A 91 -9.369 -7.759 0.227 1.00 0.00 C ATOM 1387 C HIS A 91 -8.342 -6.899 0.943 1.00 0.00 C ATOM 1388 O HIS A 91 -8.613 -5.805 1.409 1.00 0.00 O ATOM 1389 CB HIS A 91 -9.204 -7.491 -1.302 1.00 0.00 C ATOM 1390 CG HIS A 91 -9.613 -6.065 -1.636 1.00 0.00 C ATOM 1391 ND1 HIS A 91 -10.706 -5.713 -2.185 1.00 0.00 N ATOM 1392 CD2 HIS A 91 -8.920 -4.892 -1.430 1.00 0.00 C ATOM 1393 CE1 HIS A 91 -10.737 -4.437 -2.326 1.00 0.00 C ATOM 1394 NE2 HIS A 91 -9.642 -3.864 -1.870 1.00 0.00 N ATOM 0 H HIS A 91 -11.173 -6.591 0.273 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.238 -8.827 0.402 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.168 -7.658 -1.597 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.814 -8.194 -1.869 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.449 -6.351 -2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.941 -4.818 -0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.563 -3.898 -2.766 1.00 0.00 H new ATOM 1402 N TYR A 92 -7.153 -7.422 0.946 1.00 0.00 N ATOM 1403 CA TYR A 92 -5.987 -6.725 1.482 1.00 0.00 C ATOM 1404 C TYR A 92 -5.159 -6.445 0.253 1.00 0.00 C ATOM 1405 O TYR A 92 -5.400 -7.063 -0.770 1.00 0.00 O ATOM 1406 CB TYR A 92 -5.279 -7.703 2.432 1.00 0.00 C ATOM 1407 CG TYR A 92 -6.065 -7.762 3.748 1.00 0.00 C ATOM 1408 CD1 TYR A 92 -7.191 -8.604 3.866 1.00 0.00 C ATOM 1409 CD2 TYR A 92 -5.676 -6.968 4.847 1.00 0.00 C ATOM 1410 CE1 TYR A 92 -7.922 -8.649 5.074 1.00 0.00 C ATOM 1411 CE2 TYR A 92 -6.403 -7.013 6.054 1.00 0.00 C ATOM 1412 CZ TYR A 92 -7.531 -7.855 6.176 1.00 0.00 C ATOM 1413 OH TYR A 92 -8.245 -7.899 7.357 1.00 0.00 O ATOM 0 H TYR A 92 -6.947 -8.350 0.577 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.195 -5.810 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.221 -8.694 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.256 -7.377 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.495 -9.216 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.815 -6.321 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.785 -9.294 5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.096 -6.401 6.889 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.837 -7.291 8.009 1.00 0.00 H new ATOM 1423 N ILE A 93 -4.178 -5.579 0.332 1.00 0.00 N ATOM 1424 CA ILE A 93 -3.467 -5.174 -0.887 1.00 0.00 C ATOM 1425 C ILE A 93 -2.180 -5.955 -0.756 1.00 0.00 C ATOM 1426 O ILE A 93 -1.645 -6.139 0.310 1.00 0.00 O ATOM 1427 CB ILE A 93 -3.348 -3.602 -0.777 1.00 0.00 C ATOM 1428 CG1 ILE A 93 -1.941 -3.136 -0.373 1.00 0.00 C ATOM 1429 CG2 ILE A 93 -3.779 -2.903 -2.090 1.00 0.00 C ATOM 1430 CD1 ILE A 93 -0.965 -3.174 -1.569 1.00 0.00 C ATOM 0 H ILE A 93 -3.850 -5.144 1.194 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.906 -5.374 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.032 -3.310 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.993 -2.122 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.562 -3.772 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.684 -1.823 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.141 -3.239 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.816 -3.154 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.020 -2.838 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.894 -4.193 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.331 -2.518 -2.358 1.00 0.00 H new ATOM 1442 N SER A 94 -1.757 -6.408 -1.898 1.00 0.00 N ATOM 1443 CA SER A 94 -0.706 -7.477 -1.982 1.00 0.00 C ATOM 1444 C SER A 94 0.564 -7.038 -2.710 1.00 0.00 C ATOM 1445 O SER A 94 0.562 -6.128 -3.492 1.00 0.00 O ATOM 1446 CB SER A 94 -1.257 -8.710 -2.701 1.00 0.00 C ATOM 1447 OG SER A 94 -0.326 -9.745 -2.408 1.00 0.00 O ATOM 0 H SER A 94 -2.098 -6.080 -2.802 1.00 0.00 H new ATOM 0 HA SER A 94 -0.440 -7.701 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.256 -8.963 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.335 -8.540 -3.775 1.00 0.00 H new ATOM 0 HG SER A 94 -0.615 -10.577 -2.838 1.00 0.00 H new ATOM 1453 N ALA A 95 1.578 -7.784 -2.412 1.00 0.00 N ATOM 1454 CA ALA A 95 2.942 -7.659 -3.016 1.00 0.00 C ATOM 1455 C ALA A 95 3.548 -9.060 -2.901 1.00 0.00 C ATOM 1456 O ALA A 95 3.919 -9.458 -1.814 1.00 0.00 O ATOM 1457 CB ALA A 95 3.799 -6.653 -2.228 1.00 0.00 C ATOM 0 H ALA A 95 1.518 -8.534 -1.723 1.00 0.00 H new ATOM 0 HA ALA A 95 2.899 -7.301 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.786 -6.579 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.318 -5.675 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.902 -6.991 -1.197 1.00 0.00 H new ATOM 1463 N ASP A 96 3.652 -9.794 -3.997 1.00 0.00 N ATOM 1464 CA ASP A 96 4.103 -11.233 -3.892 1.00 0.00 C ATOM 1465 C ASP A 96 5.566 -11.282 -4.307 1.00 0.00 C ATOM 1466 O ASP A 96 5.926 -11.910 -5.281 1.00 0.00 O ATOM 1467 CB ASP A 96 3.222 -12.112 -4.807 1.00 0.00 C ATOM 1468 CG ASP A 96 2.935 -11.396 -6.128 1.00 0.00 C ATOM 1469 OD1 ASP A 96 3.658 -10.461 -6.407 1.00 0.00 O ATOM 1470 OD2 ASP A 96 2.003 -11.830 -6.785 1.00 0.00 O ATOM 0 H ASP A 96 3.449 -9.467 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 96 4.002 -11.614 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.724 -13.060 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.284 -12.346 -4.303 1.00 0.00 H new ATOM 1475 N HIS A 97 6.369 -10.596 -3.536 1.00 0.00 N ATOM 1476 CA HIS A 97 7.819 -10.509 -3.851 1.00 0.00 C ATOM 1477 C HIS A 97 7.981 -9.895 -5.251 1.00 0.00 C ATOM 1478 O HIS A 97 7.397 -8.871 -5.546 1.00 0.00 O ATOM 1479 CB HIS A 97 8.426 -11.928 -3.764 1.00 0.00 C ATOM 1480 CG HIS A 97 9.952 -11.857 -3.628 1.00 0.00 C ATOM 1481 ND1 HIS A 97 10.598 -10.922 -3.044 1.00 0.00 N ATOM 1482 CD2 HIS A 97 10.926 -12.731 -4.074 1.00 0.00 C ATOM 1483 CE1 HIS A 97 11.861 -11.157 -3.095 1.00 0.00 C ATOM 1484 NE2 HIS A 97 12.133 -12.279 -3.732 1.00 0.00 N ATOM 0 H HIS A 97 6.078 -10.091 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 97 8.346 -9.872 -3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.004 -12.458 -2.910 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.161 -12.497 -4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 97 10.737 -13.644 -4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 97 12.612 -10.510 -2.666 1.00 0.00 H new ATOM 0 HE2 HIS A 97 13.044 -12.699 -3.918 1.00 0.00 H new ATOM 1492 N HIS A 98 8.763 -10.523 -6.082 1.00 0.00 N ATOM 1493 CA HIS A 98 8.947 -10.028 -7.464 1.00 0.00 C ATOM 1494 C HIS A 98 7.700 -10.283 -8.314 1.00 0.00 C ATOM 1495 O HIS A 98 7.683 -9.975 -9.489 1.00 0.00 O ATOM 1496 CB HIS A 98 10.123 -10.779 -8.073 1.00 0.00 C ATOM 1497 CG HIS A 98 10.451 -10.226 -9.460 1.00 0.00 C ATOM 1498 ND1 HIS A 98 10.085 -10.749 -10.565 1.00 0.00 N ATOM 1499 CD2 HIS A 98 11.176 -9.106 -9.824 1.00 0.00 C ATOM 1500 CE1 HIS A 98 10.521 -10.051 -11.553 1.00 0.00 C ATOM 1501 NE2 HIS A 98 11.215 -9.004 -11.153 1.00 0.00 N ATOM 0 H HIS A 98 9.287 -11.368 -5.855 1.00 0.00 H new ATOM 0 HA HIS A 98 9.127 -8.953 -7.441 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.994 -10.690 -7.424 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.886 -11.841 -8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.641 -8.417 -9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.340 -10.294 -12.590 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.671 -8.290 -11.721 1.00 0.00 H new ATOM 1509 N GLY A 99 6.675 -10.842 -7.714 1.00 0.00 N ATOM 1510 CA GLY A 99 5.457 -11.188 -8.514 1.00 0.00 C ATOM 1511 C GLY A 99 4.648 -9.929 -8.832 1.00 0.00 C ATOM 1512 O GLY A 99 3.728 -9.978 -9.613 1.00 0.00 O ATOM 0 H GLY A 99 6.628 -11.071 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.751 -11.682 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 99 4.839 -11.894 -7.959 1.00 0.00 H new ATOM 1516 N HIS A 100 5.012 -8.844 -8.192 1.00 0.00 N ATOM 1517 CA HIS A 100 4.352 -7.505 -8.417 1.00 0.00 C ATOM 1518 C HIS A 100 3.217 -7.324 -7.392 1.00 0.00 C ATOM 1519 O HIS A 100 3.029 -8.137 -6.498 1.00 0.00 O ATOM 1520 CB HIS A 100 3.913 -7.275 -9.916 1.00 0.00 C ATOM 1521 CG HIS A 100 2.406 -7.478 -10.172 1.00 0.00 C ATOM 1522 ND1 HIS A 100 1.809 -8.587 -10.407 1.00 0.00 N ATOM 1523 CD2 HIS A 100 1.402 -6.530 -10.217 1.00 0.00 C ATOM 1524 CE1 HIS A 100 0.552 -8.386 -10.583 1.00 0.00 C ATOM 1525 NE2 HIS A 100 0.232 -7.113 -10.476 1.00 0.00 N ATOM 0 H HIS A 100 5.762 -8.825 -7.501 1.00 0.00 H new ATOM 0 HA HIS A 100 5.084 -6.715 -8.246 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.187 -6.262 -10.212 1.00 0.00 H new ATOM 0 HB3 HIS A 100 4.474 -7.957 -10.556 1.00 0.00 H new ATOM 0 HD1 HIS A 100 2.266 -9.498 -10.448 1.00 0.00 H new ATOM 0 HD2 HIS A 100 1.545 -5.470 -10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -0.160 -9.170 -10.794 1.00 0.00 H new ATOM 1533 N VAL A 101 2.505 -6.233 -7.536 1.00 0.00 N ATOM 1534 CA VAL A 101 1.431 -5.843 -6.572 1.00 0.00 C ATOM 1535 C VAL A 101 0.016 -6.227 -7.051 1.00 0.00 C ATOM 1536 O VAL A 101 -0.318 -6.097 -8.209 1.00 0.00 O ATOM 1537 CB VAL A 101 1.544 -4.307 -6.387 1.00 0.00 C ATOM 1538 CG1 VAL A 101 0.790 -3.864 -5.115 1.00 0.00 C ATOM 1539 CG2 VAL A 101 3.034 -3.897 -6.268 1.00 0.00 C ATOM 0 H VAL A 101 2.629 -5.577 -8.307 1.00 0.00 H new ATOM 0 HA VAL A 101 1.572 -6.381 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 101 1.100 -3.820 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.878 -2.784 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.262 -4.135 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.221 -4.360 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.105 -2.817 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.481 -4.396 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.565 -4.189 -7.174 1.00 0.00 H new ATOM 1549 N SER A 102 -0.793 -6.683 -6.121 1.00 0.00 N ATOM 1550 CA SER A 102 -2.185 -7.119 -6.441 1.00 0.00 C ATOM 1551 C SER A 102 -3.023 -7.058 -5.158 1.00 0.00 C ATOM 1552 O SER A 102 -2.786 -6.208 -4.334 1.00 0.00 O ATOM 1553 CB SER A 102 -2.101 -8.537 -6.960 1.00 0.00 C ATOM 1554 OG SER A 102 -1.165 -8.466 -8.025 1.00 0.00 O ATOM 0 H SER A 102 -0.539 -6.771 -5.137 1.00 0.00 H new ATOM 0 HA SER A 102 -2.652 -6.478 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.768 -9.226 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.072 -8.892 -7.306 1.00 0.00 H new ATOM 0 HG SER A 102 -1.261 -7.608 -8.489 1.00 0.00 H new ATOM 1560 N THR A 103 -4.000 -7.927 -5.003 1.00 0.00 N ATOM 1561 CA THR A 103 -4.737 -8.019 -3.716 1.00 0.00 C ATOM 1562 C THR A 103 -5.126 -9.451 -3.441 1.00 0.00 C ATOM 1563 O THR A 103 -5.339 -10.251 -4.330 1.00 0.00 O ATOM 1564 CB THR A 103 -6.030 -7.245 -3.830 1.00 0.00 C ATOM 1565 OG1 THR A 103 -6.825 -7.917 -4.801 1.00 0.00 O ATOM 1566 CG2 THR A 103 -5.806 -5.877 -4.406 1.00 0.00 C ATOM 0 H THR A 103 -4.313 -8.577 -5.724 1.00 0.00 H new ATOM 0 HA THR A 103 -4.095 -7.629 -2.926 1.00 0.00 H new ATOM 0 HB THR A 103 -6.477 -7.172 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.679 -7.448 -4.906 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.758 -5.350 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 103 -5.126 -5.318 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.371 -5.968 -5.401 1.00 0.00 H new ATOM 1574 N LYS A 104 -5.215 -9.704 -2.180 1.00 0.00 N ATOM 1575 CA LYS A 104 -5.596 -11.063 -1.659 1.00 0.00 C ATOM 1576 C LYS A 104 -6.557 -10.955 -0.469 1.00 0.00 C ATOM 1577 O LYS A 104 -6.538 -10.008 0.281 1.00 0.00 O ATOM 1578 CB LYS A 104 -4.326 -11.775 -1.193 1.00 0.00 C ATOM 1579 CG LYS A 104 -3.337 -12.105 -2.378 1.00 0.00 C ATOM 1580 CD LYS A 104 -3.230 -13.637 -2.639 1.00 0.00 C ATOM 1581 CE LYS A 104 -2.333 -14.314 -1.594 1.00 0.00 C ATOM 1582 NZ LYS A 104 -0.959 -13.749 -1.650 1.00 0.00 N ATOM 0 H LYS A 104 -5.037 -9.013 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.093 -11.615 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.813 -11.151 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.599 -12.700 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.678 -11.606 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.349 -11.707 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.224 -14.084 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.827 -13.812 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.752 -14.171 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.299 -15.388 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.264 -14.518 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.822 -13.258 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.828 -13.076 -0.868 1.00 0.00 H new ATOM 1596 N GLU A 105 -7.361 -11.970 -0.335 1.00 0.00 N ATOM 1597 CA GLU A 105 -8.337 -12.078 0.773 1.00 0.00 C ATOM 1598 C GLU A 105 -7.612 -12.593 2.038 1.00 0.00 C ATOM 1599 O GLU A 105 -7.847 -12.106 3.125 1.00 0.00 O ATOM 1600 CB GLU A 105 -9.434 -13.066 0.249 1.00 0.00 C ATOM 1601 CG GLU A 105 -10.082 -13.860 1.389 1.00 0.00 C ATOM 1602 CD GLU A 105 -11.356 -14.571 0.916 1.00 0.00 C ATOM 1603 OE1 GLU A 105 -11.258 -15.239 -0.100 1.00 0.00 O ATOM 1604 OE2 GLU A 105 -12.354 -14.404 1.599 1.00 0.00 O ATOM 0 H GLU A 105 -7.378 -12.761 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.793 -11.129 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.202 -12.506 -0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.988 -13.757 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.374 -14.594 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.322 -13.188 2.213 1.00 0.00 H new ATOM 1611 N HIS A 106 -6.763 -13.572 1.856 1.00 0.00 N ATOM 1612 CA HIS A 106 -6.030 -14.164 3.016 1.00 0.00 C ATOM 1613 C HIS A 106 -5.309 -13.097 3.842 1.00 0.00 C ATOM 1614 O HIS A 106 -5.497 -11.909 3.671 1.00 0.00 O ATOM 1615 CB HIS A 106 -5.010 -15.184 2.470 1.00 0.00 C ATOM 1616 CG HIS A 106 -4.541 -16.168 3.550 1.00 0.00 C ATOM 1617 ND1 HIS A 106 -3.304 -16.304 4.152 1.00 0.00 N flip ATOM 1618 CD2 HIS A 106 -5.266 -17.069 4.089 1.00 0.00 C flip ATOM 1619 CE1 HIS A 106 -3.339 -17.298 5.041 1.00 0.00 C flip ATOM 1620 NE2 HIS A 106 -4.582 -17.731 4.954 1.00 0.00 N flip ATOM 0 H HIS A 106 -6.545 -13.988 0.951 1.00 0.00 H new ATOM 0 HA HIS A 106 -6.749 -14.648 3.677 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.459 -15.738 1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.148 -14.653 2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -6.304 -17.250 3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.544 -17.660 5.676 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -4.957 -18.501 5.508 1.00 0.00 H new ATOM 1628 N HIS A 107 -4.481 -13.576 4.721 1.00 0.00 N ATOM 1629 CA HIS A 107 -3.730 -12.667 5.642 1.00 0.00 C ATOM 1630 C HIS A 107 -2.579 -13.433 6.307 1.00 0.00 C ATOM 1631 O HIS A 107 -2.806 -14.335 7.088 1.00 0.00 O ATOM 1632 CB HIS A 107 -4.708 -12.177 6.718 1.00 0.00 C ATOM 1633 CG HIS A 107 -3.994 -11.240 7.697 1.00 0.00 C ATOM 1634 ND1 HIS A 107 -4.050 -11.329 8.970 1.00 0.00 N ATOM 1635 CD2 HIS A 107 -3.178 -10.151 7.455 1.00 0.00 C ATOM 1636 CE1 HIS A 107 -3.346 -10.399 9.511 1.00 0.00 C ATOM 1637 NE2 HIS A 107 -2.772 -9.623 8.611 1.00 0.00 N ATOM 0 H HIS A 107 -4.286 -14.569 4.847 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.314 -11.826 5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.544 -11.657 6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.124 -13.029 7.256 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.577 -12.036 9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.909 -9.782 6.476 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -3.237 -10.268 10.577 1.00 0.00 H new ATOM 1645 N ASP A 108 -1.365 -13.054 5.986 1.00 0.00 N ATOM 1646 CA ASP A 108 -0.184 -13.746 6.590 1.00 0.00 C ATOM 1647 C ASP A 108 1.106 -12.963 6.295 1.00 0.00 C ATOM 1648 O ASP A 108 1.489 -12.104 7.064 1.00 0.00 O ATOM 1649 CB ASP A 108 -0.092 -15.167 6.014 1.00 0.00 C ATOM 1650 CG ASP A 108 1.115 -15.896 6.612 1.00 0.00 C ATOM 1651 OD1 ASP A 108 1.303 -15.742 7.808 1.00 0.00 O ATOM 1652 OD2 ASP A 108 1.781 -16.565 5.839 1.00 0.00 O ATOM 0 H ASP A 108 -1.142 -12.300 5.336 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.306 -13.798 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.006 -15.718 6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.000 -15.123 4.929 1.00 0.00 H new ATOM 1657 N HIS A 109 1.750 -13.271 5.186 1.00 0.00 N ATOM 1658 CA HIS A 109 3.043 -12.588 4.811 1.00 0.00 C ATOM 1659 C HIS A 109 3.003 -12.136 3.347 1.00 0.00 C ATOM 1660 O HIS A 109 3.551 -11.109 2.998 1.00 0.00 O ATOM 1661 CB HIS A 109 4.189 -13.594 4.975 1.00 0.00 C ATOM 1662 CG HIS A 109 4.193 -14.150 6.400 1.00 0.00 C ATOM 1663 ND1 HIS A 109 4.328 -15.383 6.706 1.00 0.00 N ATOM 1664 CD2 HIS A 109 4.063 -13.500 7.613 1.00 0.00 C ATOM 1665 CE1 HIS A 109 4.293 -15.531 7.983 1.00 0.00 C ATOM 1666 NE2 HIS A 109 4.127 -14.383 8.611 1.00 0.00 N ATOM 0 H HIS A 109 1.433 -13.973 4.517 1.00 0.00 H new ATOM 0 HA HIS A 109 3.188 -11.718 5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 109 4.076 -14.407 4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.142 -13.111 4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 109 3.929 -12.435 7.735 1.00 0.00 H new ATOM 0 HE1 HIS A 109 4.388 -16.484 8.483 1.00 0.00 H new ATOM 0 HE2 HIS A 109 4.063 -14.212 9.615 1.00 0.00 H new ATOM 1674 N ASP A 110 2.356 -12.912 2.523 1.00 0.00 N ATOM 1675 CA ASP A 110 2.294 -12.594 1.089 1.00 0.00 C ATOM 1676 C ASP A 110 1.688 -11.209 0.838 1.00 0.00 C ATOM 1677 O ASP A 110 2.024 -10.560 -0.133 1.00 0.00 O ATOM 1678 CB ASP A 110 1.410 -13.678 0.480 1.00 0.00 C ATOM 1679 CG ASP A 110 2.108 -15.038 0.582 1.00 0.00 C ATOM 1680 OD1 ASP A 110 3.121 -15.176 -0.085 1.00 0.00 O ATOM 1681 OD2 ASP A 110 1.589 -15.860 1.319 1.00 0.00 O ATOM 0 H ASP A 110 1.864 -13.763 2.796 1.00 0.00 H new ATOM 0 HA ASP A 110 3.291 -12.569 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.452 -13.712 0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.200 -13.445 -0.564 1.00 0.00 H new ATOM 1686 N THR A 111 0.803 -10.784 1.713 1.00 0.00 N ATOM 1687 CA THR A 111 0.144 -9.433 1.569 1.00 0.00 C ATOM 1688 C THR A 111 0.123 -8.699 2.928 1.00 0.00 C ATOM 1689 O THR A 111 -0.909 -8.243 3.378 1.00 0.00 O ATOM 1690 CB THR A 111 -1.288 -9.637 1.046 1.00 0.00 C ATOM 1691 OG1 THR A 111 -1.931 -8.381 1.193 1.00 0.00 O ATOM 1692 CG2 THR A 111 -2.109 -10.598 1.908 1.00 0.00 C ATOM 0 H THR A 111 0.504 -11.317 2.529 1.00 0.00 H new ATOM 0 HA THR A 111 0.707 -8.821 0.865 1.00 0.00 H new ATOM 0 HB THR A 111 -1.229 -10.030 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.284 -7.662 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.109 -10.700 1.487 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.623 -11.573 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.181 -10.206 2.923 1.00 0.00 H new ATOM 1700 N THR A 112 1.273 -8.601 3.566 1.00 0.00 N ATOM 1701 CA THR A 112 1.424 -7.876 4.840 1.00 0.00 C ATOM 1702 C THR A 112 2.821 -7.286 4.690 1.00 0.00 C ATOM 1703 O THR A 112 3.728 -8.001 4.310 1.00 0.00 O ATOM 1704 CB THR A 112 1.306 -8.904 5.999 1.00 0.00 C ATOM 1705 OG1 THR A 112 0.003 -8.724 6.541 1.00 0.00 O ATOM 1706 CG2 THR A 112 2.248 -8.633 7.175 1.00 0.00 C ATOM 0 H THR A 112 2.139 -9.018 3.225 1.00 0.00 H new ATOM 0 HA THR A 112 0.683 -7.107 5.058 1.00 0.00 H new ATOM 0 HB THR A 112 1.535 -9.887 5.588 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.133 -9.351 7.282 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.103 -9.395 7.941 1.00 0.00 H new ATOM 0 HG22 THR A 112 3.281 -8.660 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.032 -7.651 7.595 1.00 0.00 H new ATOM 1714 N PHE A 113 2.992 -6.019 4.982 1.00 0.00 N ATOM 1715 CA PHE A 113 4.276 -5.346 4.716 1.00 0.00 C ATOM 1716 C PHE A 113 4.847 -4.924 6.064 1.00 0.00 C ATOM 1717 O PHE A 113 4.243 -5.196 7.071 1.00 0.00 O ATOM 1718 CB PHE A 113 3.911 -4.076 3.920 1.00 0.00 C ATOM 1719 CG PHE A 113 3.338 -4.380 2.526 1.00 0.00 C ATOM 1720 CD1 PHE A 113 2.048 -4.953 2.387 1.00 0.00 C ATOM 1721 CD2 PHE A 113 4.061 -4.039 1.355 1.00 0.00 C ATOM 1722 CE1 PHE A 113 1.507 -5.170 1.113 1.00 0.00 C ATOM 1723 CE2 PHE A 113 3.510 -4.257 0.079 1.00 0.00 C ATOM 1724 CZ PHE A 113 2.227 -4.823 -0.041 1.00 0.00 C ATOM 0 H PHE A 113 2.277 -5.424 5.400 1.00 0.00 H new ATOM 0 HA PHE A 113 4.990 -5.973 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.182 -3.496 4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.800 -3.454 3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.481 -5.223 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.047 -3.607 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.525 -5.609 1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.070 -3.991 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 113 1.798 -4.990 -1.018 1.00 0.00 H new ATOM 1734 N GLU A 114 6.004 -4.307 6.075 1.00 0.00 N ATOM 1735 CA GLU A 114 6.532 -3.673 7.278 1.00 0.00 C ATOM 1736 C GLU A 114 6.405 -2.192 6.955 1.00 0.00 C ATOM 1737 O GLU A 114 6.123 -1.816 5.824 1.00 0.00 O ATOM 1738 CB GLU A 114 7.986 -4.093 7.449 1.00 0.00 C ATOM 1739 CG GLU A 114 8.091 -5.624 7.565 1.00 0.00 C ATOM 1740 CD GLU A 114 9.562 -6.057 7.533 1.00 0.00 C ATOM 1741 OE1 GLU A 114 10.194 -5.908 8.565 1.00 0.00 O ATOM 1742 OE2 GLU A 114 9.969 -6.514 6.476 1.00 0.00 O ATOM 0 H GLU A 114 6.610 -4.226 5.259 1.00 0.00 H new ATOM 0 HA GLU A 114 6.022 -3.937 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.574 -3.745 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.404 -3.625 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.626 -5.959 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.547 -6.096 6.747 1.00 0.00 H new ATOM 1749 N GLU A 115 6.653 -1.397 7.935 1.00 0.00 N ATOM 1750 CA GLU A 115 6.428 0.099 7.831 1.00 0.00 C ATOM 1751 C GLU A 115 7.760 0.851 7.952 1.00 0.00 C ATOM 1752 O GLU A 115 8.435 0.788 8.961 1.00 0.00 O ATOM 1753 CB GLU A 115 5.409 0.539 8.911 1.00 0.00 C ATOM 1754 CG GLU A 115 5.974 0.418 10.338 1.00 0.00 C ATOM 1755 CD GLU A 115 4.843 0.585 11.364 1.00 0.00 C ATOM 1756 OE1 GLU A 115 4.249 1.652 11.343 1.00 0.00 O ATOM 1757 OE2 GLU A 115 4.639 -0.359 12.109 1.00 0.00 O ATOM 0 H GLU A 115 7.013 -1.705 8.838 1.00 0.00 H new ATOM 0 HA GLU A 115 6.013 0.345 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.113 1.572 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.509 -0.070 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.454 -0.552 10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.740 1.177 10.501 1.00 0.00 H new ATOM 1764 N ILE A 116 8.141 1.535 6.876 1.00 0.00 N ATOM 1765 CA ILE A 116 9.400 2.319 6.865 1.00 0.00 C ATOM 1766 C ILE A 116 8.983 3.789 6.666 1.00 0.00 C ATOM 1767 O ILE A 116 8.072 4.117 5.916 1.00 0.00 O ATOM 1768 CB ILE A 116 10.234 1.621 5.746 1.00 0.00 C ATOM 1769 CG1 ILE A 116 10.098 2.310 4.393 1.00 0.00 C ATOM 1770 CG2 ILE A 116 11.700 1.395 6.170 1.00 0.00 C ATOM 1771 CD1 ILE A 116 11.109 3.451 4.245 1.00 0.00 C ATOM 0 H ILE A 116 7.612 1.571 6.004 1.00 0.00 H new ATOM 0 HA ILE A 116 10.023 2.342 7.759 1.00 0.00 H new ATOM 0 HB ILE A 116 9.804 0.629 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.248 1.582 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.087 2.701 4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 116 12.242 0.907 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 116 12.167 2.355 6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 116 11.729 0.764 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.986 3.922 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 116 10.941 4.190 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 116 12.121 3.054 4.331 1.00 0.00 H new ATOM 1783 N ILE A 117 9.708 4.609 7.375 1.00 0.00 N ATOM 1784 CA ILE A 117 9.409 6.033 7.603 1.00 0.00 C ATOM 1785 C ILE A 117 10.524 6.861 6.967 1.00 0.00 C ATOM 1786 O ILE A 117 11.140 6.420 6.029 1.00 0.00 O ATOM 1787 CB ILE A 117 9.396 6.222 9.186 1.00 0.00 C ATOM 1788 CG1 ILE A 117 9.476 4.883 9.984 1.00 0.00 C ATOM 1789 CG2 ILE A 117 8.126 6.999 9.637 1.00 0.00 C ATOM 1790 CD1 ILE A 117 9.462 5.164 11.501 1.00 0.00 C ATOM 0 H ILE A 117 10.566 4.309 7.839 1.00 0.00 H new ATOM 0 HA ILE A 117 8.459 6.347 7.170 1.00 0.00 H new ATOM 0 HB ILE A 117 10.298 6.790 9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 117 8.635 4.242 9.718 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.385 4.345 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.137 7.117 10.721 1.00 0.00 H new ATOM 0 HG22 ILE A 117 8.114 7.982 9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 117 7.236 6.444 9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 117 9.518 4.222 12.046 1.00 0.00 H new ATOM 0 HD12 ILE A 117 10.317 5.787 11.764 1.00 0.00 H new ATOM 0 HD13 ILE A 117 8.541 5.682 11.767 1.00 0.00 H new ATOM 1802 N ILE A 118 10.773 8.012 7.556 1.00 0.00 N ATOM 1803 CA ILE A 118 11.750 8.998 7.085 1.00 0.00 C ATOM 1804 C ILE A 118 12.925 9.118 8.072 1.00 0.00 C ATOM 1805 O ILE A 118 12.923 8.339 9.013 1.00 0.00 O ATOM 1806 CB ILE A 118 11.004 10.344 6.908 1.00 0.00 C ATOM 1807 CG1 ILE A 118 10.669 11.117 8.198 1.00 0.00 C ATOM 1808 CG2 ILE A 118 9.776 10.166 5.998 1.00 0.00 C ATOM 1809 CD1 ILE A 118 9.390 10.634 8.860 1.00 0.00 C ATOM 1810 OXT ILE A 118 13.758 9.977 7.825 1.00 0.00 O ATOM 0 H ILE A 118 10.290 8.306 8.405 1.00 0.00 H new ATOM 0 HA ILE A 118 12.182 8.690 6.133 1.00 0.00 H new ATOM 0 HB ILE A 118 11.727 10.998 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.496 11.017 8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.574 12.178 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.265 11.122 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.097 9.809 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.095 9.441 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.206 11.215 9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.554 10.759 8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.491 9.580 9.121 1.00 0.00 H new TER 1822 ILE A 118 END