USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 887 hydrogens (36 hets) HEADER ELECTRON TRANSPORT 10-JAN-03 1NMI TITLE SOLUTION STRUCTURE OF THE IMIDAZOLE COMPLEX OF ISO-1 TITLE 2 CYTOCHROME C COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C, ISO-1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS LIGAND-PROTEIN COMPLEX, ELECTRON TRANSPORT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR Y.YAO,Y.TONG,G.LIU,J.WANG,J.ZHENG,W.TANG REVDAT 2 24-FEB-09 1NMI 1 VERSN REVDAT 1 04-FEB-03 1NMI 0 JRNL AUTH Y.YAO,Y.TONG,G.LIU,J.WANG,J.ZHENG,W.TANG JRNL TITL SOLUTION STRUCTURE OF THE IMIDAZOLE COMPLEX OF JRNL TITL 2 ISO-1 CYTOCHROME C JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NMI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-JAN-03. REMARK 100 THE RCSB ID CODE IS RCSB018004. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1MM ISO-1 CYTOCHROME C, 120MM REMARK 210 D5IMIDAZOLE; 1MM 15N LABELED REMARK 210 ISO-1 CYTOCHROME C, 120MM REMARK 210 D5IMIDAZOLE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY, 2D NOESY, DQF-COSY, REMARK 210 3D_15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, DYANA 1.5 REMARK 210 METHOD USED : RESTRAINED ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES 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,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) 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 ATM2 ATM3 REMARK 500 ARG A 13 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 2 -62.60 -104.78 REMARK 500 ARG A 13 -60.76 -133.47 REMARK 500 LYS A 22 96.07 -65.39 REMARK 500 VAL A 28 -51.40 -121.52 REMARK 500 ARG A 38 -102.99 -142.16 REMARK 500 HIS A 39 -177.59 -179.40 REMARK 500 SER A 40 82.18 -66.10 REMARK 500 GLN A 42 46.17 -92.84 REMARK 500 LYS A 54 -77.70 -53.76 REMARK 500 LYS A 55 46.01 26.71 REMARK 500 ASN A 56 68.63 15.23 REMARK 500 THR A 69 -65.00 -104.80 REMARK 500 LYS A 72 -137.47 51.92 REMARK 500 LYS A 73 -33.36 70.57 REMARK 500 ILE A 75 56.92 20.12 REMARK 500 THR A 78 -66.22 -21.77 REMARK 500 LYS A 79 -71.40 -167.78 REMARK 500 LYS A 86 -49.56 -162.00 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 13 0.14 SIDE_CHAIN REMARK 500 HIS A 18 0.11 SIDE_CHAIN REMARK 500 ARG A 38 0.09 SIDE_CHAIN REMARK 500 TYR A 48 0.11 SIDE_CHAIN REMARK 500 TYR A 74 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A1018 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 IMD A 104 N1 REMARK 620 2 HIS A 18 NE2 176.7 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IMD A 104 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 1018 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YIC RELATED DB: PDB DBREF 1NMI A -5 103 UNP P00044 CYC1_YEAST 1 108 SEQADV 1NMI THR A 102 UNP P00044 CYS 107 CONFLICT SEQRES 1 A 108 THR GLU PHE LYS ALA GLY SER ALA LYS LYS GLY ALA THR SEQRES 2 A 108 LEU PHE LYS THR ARG CYS LEU GLN CYS HIS THR VAL GLU SEQRES 3 A 108 LYS GLY GLY PRO HIS LYS VAL GLY PRO ASN LEU HIS GLY SEQRES 4 A 108 ILE PHE GLY ARG HIS SER GLY GLN ALA GLU GLY TYR SER SEQRES 5 A 108 TYR THR ASP ALA ASN ILE LYS LYS ASN VAL LEU TRP ASP SEQRES 6 A 108 GLU ASN ASN MET SER GLU TYR LEU THR ASN PRO LYS LYS SEQRES 7 A 108 TYR ILE PRO GLY THR LYS MET ALA PHE GLY GLY LEU LYS SEQRES 8 A 108 LYS GLU LYS ASP ARG ASN ASP LEU ILE THR TYR LEU LYS SEQRES 9 A 108 LYS ALA THR GLU HET IMD A 104 9 HET HEC A1018 75 HETNAM IMD IMIDAZOLE HETNAM HEC HEME C FORMUL 2 IMD C3 H5 N2 1+ FORMUL 3 HEC C34 H34 FE N4 O4 HELIX 1 1 LYS A 5 THR A 12 1 8 HELIX 2 2 ASP A 50 LYS A 55 1 6 HELIX 3 3 ASP A 60 LEU A 68 1 9 HELIX 4 4 LYS A 87 GLU A 103 1 17 LINK N1 IMD A 104 FE HEC A1018 1555 1555 1.99 LINK FE HEC A1018 NE2 HIS A 18 1555 1555 1.94 LINK SG CYS A 14 CAB HEC A1018 1555 1555 1.83 LINK SG CYS A 17 CAC HEC A1018 1555 1555 1.84 SITE *** AC1 3 TYR A 67 ALA A 81 HEC A1018 SITE *** AC2 21 ARG A 13 CYS A 14 CYS A 17 HIS A 18 SITE *** AC2 21 PRO A 30 LEU A 32 ILE A 35 TYR A 48 SITE *** AC2 21 ASP A 50 TRP A 59 MET A 64 LEU A 68 SITE *** AC2 21 PRO A 76 THR A 78 LYS A 79 MET A 80 SITE *** AC2 21 ALA A 81 PHE A 82 LEU A 94 LEU A 98 SITE *** AC2 21 IMD A 104 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A1018 HECFE :(H bumps) USER MOD NoAdj-H: A 104 IMD HN1 : A 104 IMD N1 : A1018 HECFE :(H bumps) USER MOD NoAdj-H: A1018 HEC HAC : A1018 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A1018 HEC HAB : A1018 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= 0.102! C(o=1.5!,f=-3!) USER MOD Set 1.2: A 67 TYR OH : rot -80:sc= 1.38 USER MOD Set 2.1: A 48 TYR OH : rot 158:sc= 0.904 USER MOD Set 2.2: A1018 HEC O2A : rot 153:sc= 1.07 USER MOD Set 3.1: A 39 HIS : no HE2:sc= -0.667 K(o=0.036,f=-6.2!) USER MOD Set 3.2: A 42 GLN : amide:sc= 0.703 K(o=0.036,f=-5.9!) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 164:sc= 1.01 (180deg=-0.0366) USER MOD Set 4.2: A 33 HIS : no HE2:sc= 0.393 K(o=1.4,f=-14!) USER MOD Set 5.1: A 19 THR OG1 : rot -108:sc= 2.02 USER MOD Set 5.2: A 31 ASN : amide:sc= 2.32 K(o=4.3,f=-4.8!) USER MOD Set 6.1: A 8 THR OG1 : rot 180:sc= 1.04 USER MOD Set 6.2: A 11 LYS NZ :NH3+ 159:sc= 1.88 (180deg=-0.0125) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.14) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 LYS NZ :NH3+ -156:sc= 0.712 (180deg=-1.57!) USER MOD Single : A -5 THR N :NH3+ 133:sc= 0.75 (180deg=0.129) USER MOD Single : A -5 THR OG1 : rot -60:sc= 0.246 USER MOD Single : A 12 THR OG1 : rot -73:sc= 0.983 USER MOD Single : A 16 GLN : amide:sc=-0.00778 K(o=-0.0078,f=-0.51) USER MOD Single : A 26 HIS : no HD1:sc= 0.466 K(o=0.47,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.09) USER MOD Single : A 40 SER OG : rot 157:sc= 1.57 USER MOD Single : A 46 TYR OH : rot 69:sc= 1.21 USER MOD Single : A 47 SER OG : rot 60:sc= 0.362 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 62 ASN : amide:sc= 1.2 K(o=1.2,f=-0.13) USER MOD Single : A 63 ASN : amide:sc= 0.327 K(o=0.33,f=-1.1) USER MOD Single : A 64 MET CE :methyl -149:sc= -1.38 (180deg=-5.05!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 83:sc= 0.311 USER MOD Single : A 70 ASN : amide:sc= -0.953 X(o=-0.95,f=-0.71) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 1.29 (180deg=1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -137:sc= 0.9 USER MOD Single : A 78 THR OG1 : rot 83:sc= 0.871 USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= 0.912 (180deg=0.729) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc=-0.00161 (180deg=-0.0683) USER MOD Single : A 89 LYS NZ :NH3+ -134:sc= 0.405 (180deg=-1.33) USER MOD Single : A 92 ASN : amide:sc= 1.09 K(o=1.1,f=-2.9!) USER MOD Single : A 96 THR OG1 : rot 75:sc= -0.436 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 1.43 (180deg=-1.27!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0.412 (180deg=0.412) USER MOD Single : A 102 THR OG1 : rot -150:sc= 0.801 USER MOD Single : A1018 HEC O2D : rot 90:sc= -0.0879 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 8.072 17.667 4.810 1.00 10.00 N ATOM 2 CA THR A -5 7.793 17.625 6.249 1.00 10.00 C ATOM 3 C THR A -5 8.283 16.283 6.771 1.00 10.00 C ATOM 4 O THR A -5 8.594 15.429 5.942 1.00 10.00 O ATOM 5 CB THR A -5 6.279 17.803 6.439 1.00 10.00 C ATOM 6 OG1 THR A -5 5.830 18.586 5.343 1.00 10.00 O ATOM 7 CG2 THR A -5 5.934 18.513 7.751 1.00 10.00 C ATOM 0 H1 THR A -5 7.229 18.003 4.303 1.00 10.00 H new ATOM 0 H2 THR A -5 8.866 18.314 4.629 1.00 10.00 H new ATOM 0 H3 THR A -5 8.320 16.714 4.477 1.00 10.00 H new ATOM 0 HA THR A -5 8.300 18.416 6.801 1.00 10.00 H new ATOM 0 HB THR A -5 5.797 16.826 6.481 1.00 10.00 H new ATOM 0 HG1 THR A -5 6.288 19.452 5.350 1.00 10.00 H new ATOM 0 HG21 THR A -5 4.852 18.614 7.837 1.00 10.00 H new ATOM 0 HG22 THR A -5 6.312 17.930 8.591 1.00 10.00 H new ATOM 0 HG23 THR A -5 6.392 19.502 7.761 1.00 10.00 H new ATOM 17 N GLU A -4 8.357 16.103 8.089 1.00 10.00 N ATOM 18 CA GLU A -4 8.672 14.818 8.684 1.00 10.00 C ATOM 19 C GLU A -4 7.638 13.757 8.282 1.00 10.00 C ATOM 20 O GLU A -4 6.473 14.070 8.039 1.00 10.00 O ATOM 21 CB GLU A -4 8.745 14.966 10.212 1.00 10.00 C ATOM 22 CG GLU A -4 7.583 15.791 10.793 1.00 10.00 C ATOM 23 CD GLU A -4 7.376 15.473 12.262 1.00 10.00 C ATOM 24 OE1 GLU A -4 8.339 15.605 13.049 1.00 10.00 O ATOM 25 OE2 GLU A -4 6.274 15.004 12.624 1.00 10.00 O ATOM 0 H GLU A -4 8.199 16.847 8.768 1.00 10.00 H new ATOM 0 HA GLU A -4 9.641 14.484 8.314 1.00 10.00 H new ATOM 0 HB2 GLU A -4 8.744 13.976 10.668 1.00 10.00 H new ATOM 0 HB3 GLU A -4 9.689 15.439 10.481 1.00 10.00 H new ATOM 0 HG2 GLU A -4 7.790 16.854 10.673 1.00 10.00 H new ATOM 0 HG3 GLU A -4 6.669 15.580 10.239 1.00 10.00 H new ATOM 32 N PHE A -3 8.082 12.500 8.247 1.00 10.00 N ATOM 33 CA PHE A -3 7.254 11.307 8.282 1.00 10.00 C ATOM 34 C PHE A -3 7.352 10.792 9.717 1.00 10.00 C ATOM 35 O PHE A -3 8.465 10.646 10.221 1.00 10.00 O ATOM 36 CB PHE A -3 7.832 10.299 7.279 1.00 10.00 C ATOM 37 CG PHE A -3 7.294 8.881 7.378 1.00 10.00 C ATOM 38 CD1 PHE A -3 5.920 8.623 7.218 1.00 10.00 C ATOM 39 CD2 PHE A -3 8.176 7.811 7.632 1.00 10.00 C ATOM 40 CE1 PHE A -3 5.427 7.316 7.387 1.00 10.00 C ATOM 41 CE2 PHE A -3 7.677 6.512 7.825 1.00 10.00 C ATOM 42 CZ PHE A -3 6.293 6.277 7.769 1.00 10.00 C ATOM 0 H PHE A -3 9.077 12.282 8.191 1.00 10.00 H new ATOM 0 HA PHE A -3 6.213 11.485 8.012 1.00 10.00 H new ATOM 0 HB2 PHE A -3 7.643 10.669 6.271 1.00 10.00 H new ATOM 0 HB3 PHE A -3 8.914 10.266 7.409 1.00 10.00 H new ATOM 0 HD1 PHE A -3 5.245 9.427 6.966 1.00 10.00 H new ATOM 0 HD2 PHE A -3 9.240 7.991 7.678 1.00 10.00 H new ATOM 0 HE1 PHE A -3 4.380 7.110 7.223 1.00 10.00 H new ATOM 0 HE2 PHE A -3 8.357 5.695 8.016 1.00 10.00 H new ATOM 0 HZ PHE A -3 5.897 5.304 8.018 1.00 10.00 H new ATOM 52 N LYS A -2 6.223 10.573 10.396 1.00 10.00 N ATOM 53 CA LYS A -2 6.204 9.942 11.703 1.00 10.00 C ATOM 54 C LYS A -2 5.906 8.458 11.517 1.00 10.00 C ATOM 55 O LYS A -2 5.518 8.034 10.434 1.00 10.00 O ATOM 56 CB LYS A -2 5.217 10.659 12.616 1.00 10.00 C ATOM 57 CG LYS A -2 5.839 11.940 13.192 1.00 10.00 C ATOM 58 CD LYS A -2 6.710 11.639 14.429 1.00 10.00 C ATOM 59 CE LYS A -2 7.822 12.681 14.614 1.00 10.00 C ATOM 60 NZ LYS A -2 7.297 14.047 14.788 1.00 10.00 N ATOM 0 H LYS A -2 5.300 10.831 10.048 1.00 10.00 H new ATOM 0 HA LYS A -2 7.172 10.021 12.197 1.00 10.00 H new ATOM 0 HB2 LYS A -2 4.313 10.907 12.059 1.00 10.00 H new ATOM 0 HB3 LYS A -2 4.919 9.997 13.429 1.00 10.00 H new ATOM 0 HG2 LYS A -2 6.446 12.426 12.428 1.00 10.00 H new ATOM 0 HG3 LYS A -2 5.048 12.639 13.464 1.00 10.00 H new ATOM 0 HD2 LYS A -2 6.081 11.617 15.319 1.00 10.00 H new ATOM 0 HD3 LYS A -2 7.154 10.649 14.328 1.00 10.00 H new ATOM 0 HE2 LYS A -2 8.424 12.414 15.483 1.00 10.00 H new ATOM 0 HE3 LYS A -2 8.484 12.658 13.748 1.00 10.00 H new ATOM 0 HZ1 LYS A -2 8.023 14.736 14.507 1.00 10.00 H new ATOM 0 HZ2 LYS A -2 6.452 14.173 14.194 1.00 10.00 H new ATOM 0 HZ3 LYS A -2 7.044 14.197 15.786 1.00 10.00 H new ATOM 74 N ALA A -1 6.132 7.655 12.556 1.00 10.00 N ATOM 75 CA ALA A -1 6.204 6.217 12.392 1.00 10.00 C ATOM 76 C ALA A -1 5.998 5.527 13.735 1.00 10.00 C ATOM 77 O ALA A -1 6.386 6.079 14.762 1.00 10.00 O ATOM 78 CB ALA A -1 7.571 5.888 11.776 1.00 10.00 C ATOM 0 H ALA A -1 6.267 7.981 13.513 1.00 10.00 H new ATOM 0 HA ALA A -1 5.417 5.854 11.731 1.00 10.00 H new ATOM 0 HB1 ALA A -1 7.658 4.810 11.639 1.00 10.00 H new ATOM 0 HB2 ALA A -1 7.664 6.385 10.811 1.00 10.00 H new ATOM 0 HB3 ALA A -1 8.362 6.234 12.441 1.00 10.00 H new ATOM 84 N GLY A 1 5.375 4.341 13.706 1.00 10.00 N ATOM 85 CA GLY A 1 5.145 3.464 14.852 1.00 10.00 C ATOM 86 C GLY A 1 4.734 4.223 16.107 1.00 10.00 C ATOM 87 O GLY A 1 5.450 4.252 17.106 1.00 10.00 O ATOM 0 H GLY A 1 5.002 3.953 12.840 1.00 10.00 H new ATOM 0 HA2 GLY A 1 4.369 2.742 14.600 1.00 10.00 H new ATOM 0 HA3 GLY A 1 6.053 2.897 15.057 1.00 10.00 H new ATOM 91 N SER A 2 3.559 4.834 16.033 1.00 10.00 N ATOM 92 CA SER A 2 3.041 5.755 17.030 1.00 10.00 C ATOM 93 C SER A 2 1.966 5.033 17.833 1.00 10.00 C ATOM 94 O SER A 2 2.107 4.794 19.035 1.00 10.00 O ATOM 95 CB SER A 2 2.497 6.992 16.301 1.00 10.00 C ATOM 96 OG SER A 2 2.025 7.973 17.204 1.00 10.00 O ATOM 0 H SER A 2 2.920 4.696 15.250 1.00 10.00 H new ATOM 0 HA SER A 2 3.812 6.086 17.725 1.00 10.00 H new ATOM 0 HB2 SER A 2 3.282 7.420 15.678 1.00 10.00 H new ATOM 0 HB3 SER A 2 1.688 6.694 15.634 1.00 10.00 H new ATOM 0 HG SER A 2 1.689 8.745 16.702 1.00 10.00 H new ATOM 102 N ALA A 3 0.900 4.638 17.142 1.00 10.00 N ATOM 103 CA ALA A 3 -0.174 3.842 17.692 1.00 10.00 C ATOM 104 C ALA A 3 0.248 2.375 17.739 1.00 10.00 C ATOM 105 O ALA A 3 -0.259 1.640 18.582 1.00 10.00 O ATOM 106 CB ALA A 3 -1.424 4.041 16.835 1.00 10.00 C ATOM 0 H ALA A 3 0.763 4.873 16.159 1.00 10.00 H new ATOM 0 HA ALA A 3 -0.400 4.155 18.711 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -2.242 3.445 17.240 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -1.705 5.094 16.841 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -1.218 3.726 15.812 1.00 10.00 H new ATOM 112 N LYS A 4 1.162 1.963 16.846 1.00 10.00 N ATOM 113 CA LYS A 4 1.504 0.567 16.569 1.00 10.00 C ATOM 114 C LYS A 4 0.234 -0.282 16.439 1.00 10.00 C ATOM 115 O LYS A 4 0.136 -1.389 16.963 1.00 10.00 O ATOM 116 CB LYS A 4 2.612 -0.012 17.476 1.00 10.00 C ATOM 117 CG LYS A 4 2.372 0.063 18.990 1.00 10.00 C ATOM 118 CD LYS A 4 2.904 1.393 19.543 1.00 10.00 C ATOM 119 CE LYS A 4 2.203 1.805 20.843 1.00 10.00 C ATOM 120 NZ LYS A 4 2.500 3.210 21.184 1.00 10.00 N ATOM 0 H LYS A 4 1.700 2.619 16.279 1.00 10.00 H new ATOM 0 HA LYS A 4 1.990 0.532 15.594 1.00 10.00 H new ATOM 0 HB2 LYS A 4 2.761 -1.058 17.206 1.00 10.00 H new ATOM 0 HB3 LYS A 4 3.542 0.510 17.253 1.00 10.00 H new ATOM 0 HG2 LYS A 4 1.307 -0.028 19.202 1.00 10.00 H new ATOM 0 HG3 LYS A 4 2.868 -0.771 19.487 1.00 10.00 H new ATOM 0 HD2 LYS A 4 3.976 1.307 19.722 1.00 10.00 H new ATOM 0 HD3 LYS A 4 2.768 2.175 18.796 1.00 10.00 H new ATOM 0 HE2 LYS A 4 1.126 1.673 20.737 1.00 10.00 H new ATOM 0 HE3 LYS A 4 2.525 1.154 21.656 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 1.935 3.494 22.010 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 3.511 3.307 21.407 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 2.264 3.821 20.376 1.00 10.00 H new ATOM 134 N LYS A 5 -0.721 0.266 15.689 1.00 10.00 N ATOM 135 CA LYS A 5 -1.931 -0.377 15.213 1.00 10.00 C ATOM 136 C LYS A 5 -1.826 -0.706 13.724 1.00 10.00 C ATOM 137 O LYS A 5 -2.647 -1.479 13.243 1.00 10.00 O ATOM 138 CB LYS A 5 -3.134 0.544 15.450 1.00 10.00 C ATOM 139 CG LYS A 5 -3.408 0.771 16.940 1.00 10.00 C ATOM 140 CD LYS A 5 -4.582 1.747 17.094 1.00 10.00 C ATOM 141 CE LYS A 5 -4.816 2.083 18.573 1.00 10.00 C ATOM 142 NZ LYS A 5 -5.890 3.083 18.748 1.00 10.00 N ATOM 0 H LYS A 5 -0.659 1.236 15.381 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.064 -1.308 15.765 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -2.955 1.504 14.965 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -4.018 0.111 14.982 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.640 -0.176 17.428 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.520 1.172 17.428 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -4.378 2.661 16.536 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -5.484 1.309 16.668 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -5.075 1.174 19.115 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -3.892 2.462 19.010 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -6.017 3.283 19.761 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -5.632 3.960 18.252 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -6.778 2.711 18.354 1.00 10.00 H new ATOM 156 N GLY A 6 -0.862 -0.141 12.986 1.00 10.00 N ATOM 157 CA GLY A 6 -0.685 -0.297 11.551 1.00 10.00 C ATOM 158 C GLY A 6 -0.971 -1.707 11.028 1.00 10.00 C ATOM 159 O GLY A 6 -1.688 -1.878 10.044 1.00 10.00 O ATOM 0 H GLY A 6 -0.154 0.465 13.401 1.00 10.00 H new ATOM 0 HA2 GLY A 6 -1.340 0.407 11.038 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.339 -0.027 11.292 1.00 10.00 H new ATOM 163 N ALA A 7 -0.440 -2.736 11.693 1.00 10.00 N ATOM 164 CA ALA A 7 -0.579 -4.110 11.217 1.00 10.00 C ATOM 165 C ALA A 7 -2.009 -4.646 11.371 1.00 10.00 C ATOM 166 O ALA A 7 -2.363 -5.690 10.822 1.00 10.00 O ATOM 167 CB ALA A 7 0.389 -5.028 11.962 1.00 10.00 C ATOM 0 H ALA A 7 0.088 -2.642 12.560 1.00 10.00 H new ATOM 0 HA ALA A 7 -0.343 -4.099 10.153 1.00 10.00 H new ATOM 0 HB1 ALA A 7 0.275 -6.049 11.598 1.00 10.00 H new ATOM 0 HB2 ALA A 7 1.412 -4.694 11.791 1.00 10.00 H new ATOM 0 HB3 ALA A 7 0.171 -4.997 13.030 1.00 10.00 H new ATOM 173 N THR A 8 -2.835 -3.992 12.182 1.00 10.00 N ATOM 174 CA THR A 8 -4.235 -4.298 12.394 1.00 10.00 C ATOM 175 C THR A 8 -5.104 -3.328 11.599 1.00 10.00 C ATOM 176 O THR A 8 -6.160 -3.710 11.093 1.00 10.00 O ATOM 177 CB THR A 8 -4.493 -4.346 13.901 1.00 10.00 C ATOM 178 OG1 THR A 8 -4.676 -5.697 14.297 1.00 10.00 O ATOM 179 CG2 THR A 8 -5.633 -3.424 14.332 1.00 10.00 C ATOM 0 H THR A 8 -2.524 -3.194 12.735 1.00 10.00 H new ATOM 0 HA THR A 8 -4.510 -5.281 12.011 1.00 10.00 H new ATOM 0 HB THR A 8 -3.621 -3.955 14.425 1.00 10.00 H new ATOM 0 HG1 THR A 8 -4.840 -5.736 15.262 1.00 10.00 H new ATOM 0 HG21 THR A 8 -5.773 -3.498 15.410 1.00 10.00 H new ATOM 0 HG22 THR A 8 -5.389 -2.395 14.067 1.00 10.00 H new ATOM 0 HG23 THR A 8 -6.552 -3.720 13.826 1.00 10.00 H new ATOM 187 N LEU A 9 -4.629 -2.094 11.425 1.00 10.00 N ATOM 188 CA LEU A 9 -5.204 -1.184 10.470 1.00 10.00 C ATOM 189 C LEU A 9 -5.243 -1.904 9.126 1.00 10.00 C ATOM 190 O LEU A 9 -6.310 -2.067 8.550 1.00 10.00 O ATOM 191 CB LEU A 9 -4.395 0.107 10.425 1.00 10.00 C ATOM 192 CG LEU A 9 -4.936 1.129 11.434 1.00 10.00 C ATOM 193 CD1 LEU A 9 -3.814 2.068 11.854 1.00 10.00 C ATOM 194 CD2 LEU A 9 -6.054 1.959 10.801 1.00 10.00 C ATOM 0 H LEU A 9 -3.839 -1.712 11.945 1.00 10.00 H new ATOM 0 HA LEU A 9 -6.218 -0.895 10.747 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -3.349 -0.107 10.644 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -4.431 0.528 9.420 1.00 10.00 H new ATOM 0 HG LEU A 9 -5.326 0.592 12.299 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -4.197 2.795 12.571 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -3.011 1.492 12.314 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -3.430 2.590 10.978 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -6.428 2.680 11.528 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -5.666 2.489 9.931 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -6.866 1.300 10.492 1.00 10.00 H new ATOM 206 N PHE A 10 -4.100 -2.433 8.679 1.00 10.00 N ATOM 207 CA PHE A 10 -4.004 -3.191 7.431 1.00 10.00 C ATOM 208 C PHE A 10 -5.086 -4.260 7.341 1.00 10.00 C ATOM 209 O PHE A 10 -5.848 -4.316 6.373 1.00 10.00 O ATOM 210 CB PHE A 10 -2.589 -3.771 7.258 1.00 10.00 C ATOM 211 CG PHE A 10 -2.345 -4.591 5.998 1.00 10.00 C ATOM 212 CD1 PHE A 10 -2.921 -5.869 5.842 1.00 10.00 C ATOM 213 CD2 PHE A 10 -1.527 -4.078 4.974 1.00 10.00 C ATOM 214 CE1 PHE A 10 -2.847 -6.532 4.604 1.00 10.00 C ATOM 215 CE2 PHE A 10 -1.423 -4.757 3.748 1.00 10.00 C ATOM 216 CZ PHE A 10 -2.116 -5.963 3.547 1.00 10.00 C ATOM 0 H PHE A 10 -3.213 -2.346 9.175 1.00 10.00 H new ATOM 0 HA PHE A 10 -4.179 -2.508 6.600 1.00 10.00 H new ATOM 0 HB2 PHE A 10 -1.877 -2.946 7.272 1.00 10.00 H new ATOM 0 HB3 PHE A 10 -2.368 -4.398 8.122 1.00 10.00 H new ATOM 0 HD1 PHE A 10 -3.420 -6.340 6.676 1.00 10.00 H new ATOM 0 HD2 PHE A 10 -0.978 -3.161 5.131 1.00 10.00 H new ATOM 0 HE1 PHE A 10 -3.351 -7.477 4.466 1.00 10.00 H new ATOM 0 HE2 PHE A 10 -0.809 -4.351 2.958 1.00 10.00 H new ATOM 0 HZ PHE A 10 -2.087 -6.451 2.584 1.00 10.00 H new ATOM 226 N LYS A 11 -5.179 -5.074 8.389 1.00 10.00 N ATOM 227 CA LYS A 11 -6.155 -6.150 8.485 1.00 10.00 C ATOM 228 C LYS A 11 -7.608 -5.671 8.359 1.00 10.00 C ATOM 229 O LYS A 11 -8.491 -6.489 8.116 1.00 10.00 O ATOM 230 CB LYS A 11 -5.956 -6.941 9.781 1.00 10.00 C ATOM 231 CG LYS A 11 -4.722 -7.856 9.709 1.00 10.00 C ATOM 232 CD LYS A 11 -4.668 -8.877 10.859 1.00 10.00 C ATOM 233 CE LYS A 11 -4.699 -8.261 12.266 1.00 10.00 C ATOM 234 NZ LYS A 11 -3.490 -7.473 12.583 1.00 10.00 N ATOM 0 H LYS A 11 -4.570 -5.002 9.204 1.00 10.00 H new ATOM 0 HA LYS A 11 -5.976 -6.804 7.631 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -5.847 -6.249 10.616 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -6.843 -7.542 9.979 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -4.725 -8.387 8.757 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -3.820 -7.244 9.730 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -5.510 -9.562 10.758 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -3.760 -9.471 10.757 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -5.576 -7.620 12.356 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -4.809 -9.057 13.002 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -3.701 -6.810 13.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -2.725 -8.114 12.876 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -3.192 -6.940 11.741 1.00 10.00 H new ATOM 248 N THR A 12 -7.867 -4.373 8.525 1.00 10.00 N ATOM 249 CA THR A 12 -9.199 -3.789 8.455 1.00 10.00 C ATOM 250 C THR A 12 -9.293 -2.730 7.346 1.00 10.00 C ATOM 251 O THR A 12 -10.301 -2.023 7.259 1.00 10.00 O ATOM 252 CB THR A 12 -9.555 -3.227 9.842 1.00 10.00 C ATOM 253 OG1 THR A 12 -8.532 -2.381 10.329 1.00 10.00 O ATOM 254 CG2 THR A 12 -9.762 -4.357 10.856 1.00 10.00 C ATOM 0 H THR A 12 -7.137 -3.687 8.716 1.00 10.00 H new ATOM 0 HA THR A 12 -9.928 -4.554 8.188 1.00 10.00 H new ATOM 0 HB THR A 12 -10.478 -2.659 9.724 1.00 10.00 H new ATOM 0 HG1 THR A 12 -7.762 -2.922 10.601 1.00 10.00 H new ATOM 0 HG21 THR A 12 -10.013 -3.932 11.828 1.00 10.00 H new ATOM 0 HG22 THR A 12 -10.575 -5.002 10.521 1.00 10.00 H new ATOM 0 HG23 THR A 12 -8.846 -4.942 10.941 1.00 10.00 H new ATOM 262 N ARG A 13 -8.259 -2.600 6.504 1.00 10.00 N ATOM 263 CA ARG A 13 -8.170 -1.607 5.437 1.00 10.00 C ATOM 264 C ARG A 13 -7.703 -2.281 4.148 1.00 10.00 C ATOM 265 O ARG A 13 -8.388 -2.247 3.130 1.00 10.00 O ATOM 266 CB ARG A 13 -7.185 -0.483 5.825 1.00 10.00 C ATOM 267 CG ARG A 13 -7.806 0.916 5.900 1.00 10.00 C ATOM 268 CD ARG A 13 -8.438 1.210 7.270 1.00 10.00 C ATOM 269 NE ARG A 13 -9.756 0.590 7.361 1.00 10.00 N ATOM 270 CZ ARG A 13 -10.867 1.041 6.770 1.00 10.00 C ATOM 271 NH1 ARG A 13 -11.047 2.351 6.533 1.00 10.00 N ATOM 272 NH2 ARG A 13 -11.771 0.130 6.400 1.00 10.00 N ATOM 0 H ARG A 13 -7.439 -3.204 6.552 1.00 10.00 H new ATOM 0 HA ARG A 13 -9.156 -1.168 5.283 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -6.745 -0.723 6.793 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -6.371 -0.466 5.100 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -7.039 1.662 5.690 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -8.566 1.014 5.125 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.794 0.831 8.064 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -8.524 2.287 7.415 1.00 10.00 H new ATOM 0 HE ARG A 13 -9.836 -0.258 7.922 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -10.329 3.022 6.805 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -11.902 2.675 6.081 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -11.597 -0.860 6.572 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -12.635 0.425 5.945 1.00 10.00 H new ATOM 286 N CYS A 14 -6.506 -2.865 4.183 1.00 10.00 N ATOM 287 CA CYS A 14 -5.834 -3.383 3.004 1.00 10.00 C ATOM 288 C CYS A 14 -6.277 -4.812 2.759 1.00 10.00 C ATOM 289 O CYS A 14 -6.450 -5.204 1.612 1.00 10.00 O ATOM 290 CB CYS A 14 -4.343 -3.351 3.184 1.00 10.00 C ATOM 291 SG CYS A 14 -3.728 -1.810 3.909 1.00 10.00 S ATOM 0 H CYS A 14 -5.974 -2.991 5.044 1.00 10.00 H new ATOM 0 HA CYS A 14 -6.097 -2.757 2.151 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -4.045 -4.185 3.819 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.866 -3.502 2.216 1.00 10.00 H new ATOM 296 N LEU A 15 -6.478 -5.584 3.832 1.00 10.00 N ATOM 297 CA LEU A 15 -6.859 -6.991 3.763 1.00 10.00 C ATOM 298 C LEU A 15 -8.143 -7.205 2.959 1.00 10.00 C ATOM 299 O LEU A 15 -8.362 -8.271 2.389 1.00 10.00 O ATOM 300 CB LEU A 15 -6.984 -7.528 5.185 1.00 10.00 C ATOM 301 CG LEU A 15 -7.082 -9.057 5.306 1.00 10.00 C ATOM 302 CD1 LEU A 15 -5.695 -9.690 5.149 1.00 10.00 C ATOM 303 CD2 LEU A 15 -7.646 -9.432 6.680 1.00 10.00 C ATOM 0 H LEU A 15 -6.378 -5.239 4.787 1.00 10.00 H new ATOM 0 HA LEU A 15 -6.085 -7.544 3.231 1.00 10.00 H new ATOM 0 HB2 LEU A 15 -6.122 -7.190 5.760 1.00 10.00 H new ATOM 0 HB3 LEU A 15 -7.868 -7.087 5.646 1.00 10.00 H new ATOM 0 HG LEU A 15 -7.741 -9.427 4.521 1.00 10.00 H new ATOM 0 HD11 LEU A 15 -5.777 -10.773 5.237 1.00 10.00 H new ATOM 0 HD12 LEU A 15 -5.287 -9.435 4.171 1.00 10.00 H new ATOM 0 HD13 LEU A 15 -5.032 -9.312 5.928 1.00 10.00 H new ATOM 0 HD21 LEU A 15 -7.714 -10.517 6.762 1.00 10.00 H new ATOM 0 HD22 LEU A 15 -6.988 -9.050 7.460 1.00 10.00 H new ATOM 0 HD23 LEU A 15 -8.638 -8.997 6.797 1.00 10.00 H new ATOM 315 N GLN A 16 -8.986 -6.172 2.885 1.00 10.00 N ATOM 316 CA GLN A 16 -10.113 -6.108 1.984 1.00 10.00 C ATOM 317 C GLN A 16 -9.721 -6.535 0.561 1.00 10.00 C ATOM 318 O GLN A 16 -10.486 -7.247 -0.095 1.00 10.00 O ATOM 319 CB GLN A 16 -10.657 -4.686 2.025 1.00 10.00 C ATOM 320 CG GLN A 16 -11.269 -4.325 3.390 1.00 10.00 C ATOM 321 CD GLN A 16 -11.761 -2.897 3.468 1.00 10.00 C ATOM 322 OE1 GLN A 16 -11.375 -2.118 4.338 1.00 10.00 O ATOM 323 NE2 GLN A 16 -12.665 -2.553 2.574 1.00 10.00 N ATOM 0 H GLN A 16 -8.891 -5.342 3.470 1.00 10.00 H new ATOM 0 HA GLN A 16 -10.888 -6.807 2.299 1.00 10.00 H new ATOM 0 HB2 GLN A 16 -9.853 -3.987 1.795 1.00 10.00 H new ATOM 0 HB3 GLN A 16 -11.414 -4.568 1.249 1.00 10.00 H new ATOM 0 HG2 GLN A 16 -12.100 -5.000 3.597 1.00 10.00 H new ATOM 0 HG3 GLN A 16 -10.524 -4.488 4.169 1.00 10.00 H new ATOM 0 HE21 GLN A 16 -12.963 -3.224 1.866 1.00 10.00 H new ATOM 0 HE22 GLN A 16 -13.067 -1.616 2.590 1.00 10.00 H new ATOM 332 N CYS A 17 -8.535 -6.123 0.101 1.00 10.00 N ATOM 333 CA CYS A 17 -8.132 -6.155 -1.300 1.00 10.00 C ATOM 334 C CYS A 17 -6.761 -6.805 -1.537 1.00 10.00 C ATOM 335 O CYS A 17 -6.539 -7.330 -2.624 1.00 10.00 O ATOM 336 CB CYS A 17 -8.164 -4.752 -1.856 1.00 10.00 C ATOM 337 SG CYS A 17 -9.836 -4.034 -1.716 1.00 10.00 S ATOM 0 H CYS A 17 -7.812 -5.748 0.715 1.00 10.00 H new ATOM 0 HA CYS A 17 -8.846 -6.789 -1.826 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.450 -4.128 -1.319 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -7.855 -4.764 -2.901 1.00 10.00 H new ATOM 342 N HIS A 18 -5.832 -6.774 -0.579 1.00 10.00 N ATOM 343 CA HIS A 18 -4.450 -7.182 -0.738 1.00 10.00 C ATOM 344 C HIS A 18 -4.002 -8.059 0.430 1.00 10.00 C ATOM 345 O HIS A 18 -4.700 -8.160 1.435 1.00 10.00 O ATOM 346 CB HIS A 18 -3.591 -5.924 -0.721 1.00 10.00 C ATOM 347 CG HIS A 18 -3.841 -4.952 -1.840 1.00 10.00 C ATOM 348 ND1 HIS A 18 -3.174 -4.938 -3.042 1.00 10.00 N ATOM 349 CD2 HIS A 18 -4.395 -3.718 -1.661 1.00 10.00 C ATOM 350 CE1 HIS A 18 -3.290 -3.697 -3.551 1.00 10.00 C ATOM 351 NE2 HIS A 18 -4.028 -2.918 -2.741 1.00 10.00 N ATOM 0 H HIS A 18 -6.039 -6.449 0.365 1.00 10.00 H new ATOM 0 HA HIS A 18 -4.349 -7.742 -1.668 1.00 10.00 H new ATOM 0 HB2 HIS A 18 -3.751 -5.409 0.226 1.00 10.00 H new ATOM 0 HB3 HIS A 18 -2.543 -6.221 -0.749 1.00 10.00 H new ATOM 0 HD1 HIS A 18 -2.682 -5.723 -3.469 1.00 10.00 H new ATOM 0 HD2 HIS A 18 -5.011 -3.414 -0.827 1.00 10.00 H new ATOM 0 HE1 HIS A 18 -2.850 -3.372 -4.482 1.00 10.00 H new ATOM 359 N THR A 19 -2.803 -8.638 0.331 1.00 10.00 N ATOM 360 CA THR A 19 -2.105 -9.288 1.431 1.00 10.00 C ATOM 361 C THR A 19 -0.650 -8.790 1.486 1.00 10.00 C ATOM 362 O THR A 19 -0.138 -8.269 0.496 1.00 10.00 O ATOM 363 CB THR A 19 -2.206 -10.812 1.244 1.00 10.00 C ATOM 364 OG1 THR A 19 -1.692 -11.213 -0.014 1.00 10.00 O ATOM 365 CG2 THR A 19 -3.674 -11.230 1.311 1.00 10.00 C ATOM 0 H THR A 19 -2.280 -8.666 -0.544 1.00 10.00 H new ATOM 0 HA THR A 19 -2.561 -9.037 2.389 1.00 10.00 H new ATOM 0 HB THR A 19 -1.624 -11.286 2.034 1.00 10.00 H new ATOM 0 HG1 THR A 19 -2.431 -11.487 -0.597 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.751 -12.309 1.179 1.00 10.00 H new ATOM 0 HG22 THR A 19 -4.087 -10.952 2.281 1.00 10.00 H new ATOM 0 HG23 THR A 19 -4.232 -10.727 0.521 1.00 10.00 H new ATOM 373 N VAL A 20 0.013 -8.934 2.640 1.00 10.00 N ATOM 374 CA VAL A 20 1.457 -8.723 2.814 1.00 10.00 C ATOM 375 C VAL A 20 2.152 -10.023 3.237 1.00 10.00 C ATOM 376 O VAL A 20 3.356 -10.029 3.482 1.00 10.00 O ATOM 377 CB VAL A 20 1.726 -7.590 3.831 1.00 10.00 C ATOM 378 CG1 VAL A 20 1.571 -6.239 3.132 1.00 10.00 C ATOM 379 CG2 VAL A 20 0.832 -7.660 5.080 1.00 10.00 C ATOM 0 H VAL A 20 -0.453 -9.209 3.504 1.00 10.00 H new ATOM 0 HA VAL A 20 1.875 -8.419 1.854 1.00 10.00 H new ATOM 0 HB VAL A 20 2.747 -7.715 4.192 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.760 -5.437 3.845 1.00 10.00 H new ATOM 0 HG12 VAL A 20 2.285 -6.170 2.311 1.00 10.00 H new ATOM 0 HG13 VAL A 20 0.558 -6.146 2.741 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.076 -6.835 5.749 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -0.214 -7.589 4.783 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.000 -8.606 5.595 1.00 10.00 H new ATOM 389 N GLU A 21 1.403 -11.130 3.302 1.00 10.00 N ATOM 390 CA GLU A 21 1.952 -12.443 3.596 1.00 10.00 C ATOM 391 C GLU A 21 2.938 -12.839 2.493 1.00 10.00 C ATOM 392 O GLU A 21 2.895 -12.291 1.389 1.00 10.00 O ATOM 393 CB GLU A 21 0.783 -13.426 3.751 1.00 10.00 C ATOM 394 CG GLU A 21 1.185 -14.851 4.131 1.00 10.00 C ATOM 395 CD GLU A 21 2.042 -14.886 5.388 1.00 10.00 C ATOM 396 OE1 GLU A 21 1.446 -14.922 6.484 1.00 10.00 O ATOM 397 OE2 GLU A 21 3.279 -14.820 5.213 1.00 10.00 O ATOM 0 H GLU A 21 0.394 -11.132 3.150 1.00 10.00 H new ATOM 0 HA GLU A 21 2.515 -12.448 4.529 1.00 10.00 H new ATOM 0 HB2 GLU A 21 0.103 -13.041 4.511 1.00 10.00 H new ATOM 0 HB3 GLU A 21 0.228 -13.459 2.813 1.00 10.00 H new ATOM 0 HG2 GLU A 21 0.289 -15.451 4.287 1.00 10.00 H new ATOM 0 HG3 GLU A 21 1.733 -15.305 3.306 1.00 10.00 H new ATOM 404 N LYS A 22 3.845 -13.764 2.791 1.00 10.00 N ATOM 405 CA LYS A 22 4.955 -14.103 1.916 1.00 10.00 C ATOM 406 C LYS A 22 4.476 -14.732 0.608 1.00 10.00 C ATOM 407 O LYS A 22 4.216 -15.930 0.540 1.00 10.00 O ATOM 408 CB LYS A 22 6.004 -14.936 2.655 1.00 10.00 C ATOM 409 CG LYS A 22 7.334 -14.186 2.555 1.00 10.00 C ATOM 410 CD LYS A 22 8.398 -14.970 3.299 1.00 10.00 C ATOM 411 CE LYS A 22 9.797 -14.351 3.169 1.00 10.00 C ATOM 412 NZ LYS A 22 9.846 -12.948 3.633 1.00 10.00 N ATOM 0 H LYS A 22 3.827 -14.303 3.657 1.00 10.00 H new ATOM 0 HA LYS A 22 5.455 -13.180 1.623 1.00 10.00 H new ATOM 0 HB2 LYS A 22 5.719 -15.075 3.698 1.00 10.00 H new ATOM 0 HB3 LYS A 22 6.088 -15.928 2.212 1.00 10.00 H new ATOM 0 HG2 LYS A 22 7.619 -14.062 1.510 1.00 10.00 H new ATOM 0 HG3 LYS A 22 7.236 -13.187 2.980 1.00 10.00 H new ATOM 0 HD2 LYS A 22 8.129 -15.028 4.354 1.00 10.00 H new ATOM 0 HD3 LYS A 22 8.421 -15.991 2.919 1.00 10.00 H new ATOM 0 HE2 LYS A 22 10.507 -14.945 3.745 1.00 10.00 H new ATOM 0 HE3 LYS A 22 10.114 -14.396 2.127 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 10.836 -12.666 3.781 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 9.413 -12.330 2.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 9.323 -12.860 4.528 1.00 10.00 H new ATOM 426 N GLY A 23 4.348 -13.908 -0.436 1.00 10.00 N ATOM 427 CA GLY A 23 3.726 -14.322 -1.682 1.00 10.00 C ATOM 428 C GLY A 23 2.266 -14.687 -1.425 1.00 10.00 C ATOM 429 O GLY A 23 1.746 -15.650 -1.984 1.00 10.00 O ATOM 0 H GLY A 23 4.673 -12.941 -0.435 1.00 10.00 H new ATOM 0 HA2 GLY A 23 3.787 -13.519 -2.416 1.00 10.00 H new ATOM 0 HA3 GLY A 23 4.258 -15.177 -2.100 1.00 10.00 H new ATOM 433 N GLY A 24 1.613 -13.915 -0.552 1.00 10.00 N ATOM 434 CA GLY A 24 0.218 -14.122 -0.196 1.00 10.00 C ATOM 435 C GLY A 24 -0.712 -13.988 -1.406 1.00 10.00 C ATOM 436 O GLY A 24 -0.304 -13.519 -2.470 1.00 10.00 O ATOM 0 H GLY A 24 2.046 -13.125 -0.073 1.00 10.00 H new ATOM 0 HA2 GLY A 24 0.100 -15.112 0.244 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -0.072 -13.398 0.566 1.00 10.00 H new ATOM 440 N PRO A 25 -1.982 -14.393 -1.263 1.00 10.00 N ATOM 441 CA PRO A 25 -2.924 -14.392 -2.363 1.00 10.00 C ATOM 442 C PRO A 25 -3.208 -12.967 -2.846 1.00 10.00 C ATOM 443 O PRO A 25 -3.403 -12.042 -2.051 1.00 10.00 O ATOM 444 CB PRO A 25 -4.177 -15.101 -1.840 1.00 10.00 C ATOM 445 CG PRO A 25 -4.098 -14.903 -0.327 1.00 10.00 C ATOM 446 CD PRO A 25 -2.592 -14.910 -0.051 1.00 10.00 C ATOM 0 HA PRO A 25 -2.531 -14.912 -3.237 1.00 10.00 H new ATOM 0 HB2 PRO A 25 -5.086 -14.665 -2.254 1.00 10.00 H new ATOM 0 HB3 PRO A 25 -4.180 -16.158 -2.106 1.00 10.00 H new ATOM 0 HG2 PRO A 25 -4.559 -13.965 -0.019 1.00 10.00 H new ATOM 0 HG3 PRO A 25 -4.610 -15.701 0.211 1.00 10.00 H new ATOM 0 HD2 PRO A 25 -2.346 -14.288 0.810 1.00 10.00 H new ATOM 0 HD3 PRO A 25 -2.237 -15.916 0.171 1.00 10.00 H new ATOM 454 N HIS A 26 -3.249 -12.805 -4.169 1.00 10.00 N ATOM 455 CA HIS A 26 -3.601 -11.574 -4.860 1.00 10.00 C ATOM 456 C HIS A 26 -5.119 -11.379 -4.795 1.00 10.00 C ATOM 457 O HIS A 26 -5.815 -11.484 -5.801 1.00 10.00 O ATOM 458 CB HIS A 26 -3.150 -11.705 -6.313 1.00 10.00 C ATOM 459 CG HIS A 26 -1.666 -11.891 -6.487 1.00 10.00 C ATOM 460 ND1 HIS A 26 -0.701 -11.691 -5.524 1.00 10.00 N ATOM 461 CD2 HIS A 26 -1.029 -12.124 -7.674 1.00 10.00 C ATOM 462 CE1 HIS A 26 0.494 -11.745 -6.135 1.00 10.00 C ATOM 463 NE2 HIS A 26 0.340 -12.030 -7.434 1.00 10.00 N ATOM 0 H HIS A 26 -3.027 -13.565 -4.812 1.00 10.00 H new ATOM 0 HA HIS A 26 -3.116 -10.715 -4.396 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.666 -12.551 -6.766 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -3.459 -10.814 -6.859 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.500 -12.341 -8.622 1.00 10.00 H new ATOM 0 HE1 HIS A 26 1.444 -11.582 -5.648 1.00 10.00 H new ATOM 0 HE2 HIS A 26 1.085 -12.155 -8.119 1.00 10.00 H new ATOM 471 N LYS A 27 -5.619 -11.176 -3.578 1.00 10.00 N ATOM 472 CA LYS A 27 -7.032 -11.232 -3.224 1.00 10.00 C ATOM 473 C LYS A 27 -7.920 -10.487 -4.227 1.00 10.00 C ATOM 474 O LYS A 27 -8.770 -11.093 -4.875 1.00 10.00 O ATOM 475 CB LYS A 27 -7.206 -10.683 -1.803 1.00 10.00 C ATOM 476 CG LYS A 27 -8.575 -11.043 -1.216 1.00 10.00 C ATOM 477 CD LYS A 27 -8.743 -10.334 0.134 1.00 10.00 C ATOM 478 CE LYS A 27 -10.142 -10.529 0.732 1.00 10.00 C ATOM 479 NZ LYS A 27 -11.187 -9.846 -0.059 1.00 10.00 N ATOM 0 H LYS A 27 -5.023 -10.959 -2.779 1.00 10.00 H new ATOM 0 HA LYS A 27 -7.358 -12.272 -3.259 1.00 10.00 H new ATOM 0 HB2 LYS A 27 -6.420 -11.081 -1.161 1.00 10.00 H new ATOM 0 HB3 LYS A 27 -7.090 -9.599 -1.816 1.00 10.00 H new ATOM 0 HG2 LYS A 27 -9.369 -10.742 -1.900 1.00 10.00 H new ATOM 0 HG3 LYS A 27 -8.657 -12.122 -1.087 1.00 10.00 H new ATOM 0 HD2 LYS A 27 -7.997 -10.711 0.834 1.00 10.00 H new ATOM 0 HD3 LYS A 27 -8.551 -9.269 0.007 1.00 10.00 H new ATOM 0 HE2 LYS A 27 -10.367 -11.594 0.786 1.00 10.00 H new ATOM 0 HE3 LYS A 27 -10.155 -10.149 1.753 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 -12.071 -9.815 0.488 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 -10.880 -8.876 -0.276 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 -11.346 -10.366 -0.946 1.00 10.00 H new ATOM 493 N VAL A 28 -7.759 -9.165 -4.293 1.00 10.00 N ATOM 494 CA VAL A 28 -8.430 -8.294 -5.255 1.00 10.00 C ATOM 495 C VAL A 28 -7.371 -7.554 -6.071 1.00 10.00 C ATOM 496 O VAL A 28 -7.436 -7.549 -7.298 1.00 10.00 O ATOM 497 CB VAL A 28 -9.348 -7.313 -4.513 1.00 10.00 C ATOM 498 CG1 VAL A 28 -10.086 -6.345 -5.433 1.00 10.00 C ATOM 499 CG2 VAL A 28 -10.378 -8.050 -3.644 1.00 10.00 C ATOM 0 H VAL A 28 -7.140 -8.658 -3.660 1.00 10.00 H new ATOM 0 HA VAL A 28 -9.048 -8.882 -5.933 1.00 10.00 H new ATOM 0 HB VAL A 28 -8.677 -6.728 -3.884 1.00 10.00 H new ATOM 0 HG11 VAL A 28 -10.715 -5.684 -4.837 1.00 10.00 H new ATOM 0 HG12 VAL A 28 -9.363 -5.751 -5.992 1.00 10.00 H new ATOM 0 HG13 VAL A 28 -10.709 -6.907 -6.129 1.00 10.00 H new ATOM 0 HG21 VAL A 28 -11.010 -7.323 -3.134 1.00 10.00 H new ATOM 0 HG22 VAL A 28 -10.996 -8.689 -4.275 1.00 10.00 H new ATOM 0 HG23 VAL A 28 -9.860 -8.662 -2.905 1.00 10.00 H new ATOM 509 N GLY A 29 -6.417 -6.917 -5.386 1.00 10.00 N ATOM 510 CA GLY A 29 -5.163 -6.436 -5.942 1.00 10.00 C ATOM 511 C GLY A 29 -4.069 -7.456 -5.617 1.00 10.00 C ATOM 512 O GLY A 29 -4.366 -8.511 -5.053 1.00 10.00 O ATOM 0 H GLY A 29 -6.507 -6.718 -4.390 1.00 10.00 H new ATOM 0 HA2 GLY A 29 -5.252 -6.305 -7.020 1.00 10.00 H new ATOM 0 HA3 GLY A 29 -4.911 -5.462 -5.522 1.00 10.00 H new ATOM 516 N PRO A 30 -2.804 -7.177 -5.953 1.00 10.00 N ATOM 517 CA PRO A 30 -1.718 -8.106 -5.708 1.00 10.00 C ATOM 518 C PRO A 30 -1.337 -8.129 -4.230 1.00 10.00 C ATOM 519 O PRO A 30 -1.833 -7.350 -3.415 1.00 10.00 O ATOM 520 CB PRO A 30 -0.556 -7.602 -6.560 1.00 10.00 C ATOM 521 CG PRO A 30 -0.781 -6.097 -6.533 1.00 10.00 C ATOM 522 CD PRO A 30 -2.305 -5.964 -6.579 1.00 10.00 C ATOM 0 HA PRO A 30 -1.998 -9.127 -5.966 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.410 -7.879 -6.138 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -0.588 -8.002 -7.573 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -0.365 -5.645 -5.632 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -0.309 -5.605 -7.384 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -2.641 -5.076 -6.043 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -2.663 -5.872 -7.604 1.00 10.00 H new ATOM 530 N ASN A 31 -0.412 -9.030 -3.910 1.00 10.00 N ATOM 531 CA ASN A 31 0.311 -9.057 -2.653 1.00 10.00 C ATOM 532 C ASN A 31 1.399 -7.983 -2.644 1.00 10.00 C ATOM 533 O ASN A 31 1.931 -7.624 -3.692 1.00 10.00 O ATOM 534 CB ASN A 31 0.960 -10.424 -2.514 1.00 10.00 C ATOM 535 CG ASN A 31 1.739 -10.595 -1.223 1.00 10.00 C ATOM 536 OD1 ASN A 31 2.951 -10.431 -1.214 1.00 10.00 O ATOM 537 ND2 ASN A 31 1.080 -10.932 -0.126 1.00 10.00 N ATOM 0 H ASN A 31 -0.140 -9.783 -4.542 1.00 10.00 H new ATOM 0 HA ASN A 31 -0.375 -8.866 -1.828 1.00 10.00 H new ATOM 0 HB2 ASN A 31 0.188 -11.191 -2.568 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.630 -10.587 -3.358 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.583 -11.061 0.752 1.00 10.00 H new ATOM 0 HD22 ASN A 31 0.069 -11.063 -0.158 1.00 10.00 H new ATOM 544 N LEU A 32 1.738 -7.492 -1.455 1.00 10.00 N ATOM 545 CA LEU A 32 2.588 -6.339 -1.228 1.00 10.00 C ATOM 546 C LEU A 32 3.935 -6.740 -0.597 1.00 10.00 C ATOM 547 O LEU A 32 4.705 -5.872 -0.186 1.00 10.00 O ATOM 548 CB LEU A 32 1.797 -5.414 -0.296 1.00 10.00 C ATOM 549 CG LEU A 32 0.819 -4.398 -0.907 1.00 10.00 C ATOM 550 CD1 LEU A 32 0.064 -4.911 -2.136 1.00 10.00 C ATOM 551 CD2 LEU A 32 -0.202 -4.027 0.171 1.00 10.00 C ATOM 0 H LEU A 32 1.409 -7.911 -0.585 1.00 10.00 H new ATOM 0 HA LEU A 32 2.837 -5.846 -2.168 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.231 -6.044 0.390 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.517 -4.857 0.304 1.00 10.00 H new ATOM 0 HG LEU A 32 1.411 -3.547 -1.245 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.604 -4.132 -2.504 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.777 -5.176 -2.917 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.519 -5.791 -1.864 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -0.912 -3.305 -0.233 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.736 -4.922 0.490 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.314 -3.589 1.025 1.00 10.00 H new ATOM 563 N HIS A 33 4.250 -8.036 -0.499 1.00 10.00 N ATOM 564 CA HIS A 33 5.516 -8.485 0.066 1.00 10.00 C ATOM 565 C HIS A 33 6.715 -7.821 -0.621 1.00 10.00 C ATOM 566 O HIS A 33 7.016 -8.108 -1.784 1.00 10.00 O ATOM 567 CB HIS A 33 5.621 -10.012 0.012 1.00 10.00 C ATOM 568 CG HIS A 33 6.930 -10.531 0.544 1.00 10.00 C ATOM 569 ND1 HIS A 33 8.055 -10.790 -0.204 1.00 10.00 N ATOM 570 CD2 HIS A 33 7.228 -10.803 1.852 1.00 10.00 C ATOM 571 CE1 HIS A 33 9.005 -11.229 0.638 1.00 10.00 C ATOM 572 NE2 HIS A 33 8.550 -11.266 1.904 1.00 10.00 N ATOM 0 H HIS A 33 3.638 -8.792 -0.807 1.00 10.00 H new ATOM 0 HA HIS A 33 5.538 -8.178 1.112 1.00 10.00 H new ATOM 0 HB2 HIS A 33 4.803 -10.447 0.587 1.00 10.00 H new ATOM 0 HB3 HIS A 33 5.497 -10.343 -1.019 1.00 10.00 H new ATOM 0 HD1 HIS A 33 8.150 -10.671 -1.213 1.00 10.00 H new ATOM 0 HD2 HIS A 33 6.563 -10.682 2.694 1.00 10.00 H new ATOM 0 HE1 HIS A 33 10.003 -11.515 0.339 1.00 10.00 H new ATOM 580 N GLY A 34 7.403 -6.946 0.118 1.00 10.00 N ATOM 581 CA GLY A 34 8.605 -6.265 -0.328 1.00 10.00 C ATOM 582 C GLY A 34 8.286 -5.251 -1.420 1.00 10.00 C ATOM 583 O GLY A 34 9.142 -4.941 -2.241 1.00 10.00 O ATOM 0 H GLY A 34 7.126 -6.691 1.066 1.00 10.00 H new ATOM 0 HA2 GLY A 34 9.075 -5.760 0.516 1.00 10.00 H new ATOM 0 HA3 GLY A 34 9.323 -6.995 -0.703 1.00 10.00 H new ATOM 587 N ILE A 35 7.059 -4.726 -1.437 1.00 10.00 N ATOM 588 CA ILE A 35 6.588 -3.819 -2.476 1.00 10.00 C ATOM 589 C ILE A 35 7.444 -2.554 -2.560 1.00 10.00 C ATOM 590 O ILE A 35 7.696 -2.052 -3.653 1.00 10.00 O ATOM 591 CB ILE A 35 5.098 -3.552 -2.254 1.00 10.00 C ATOM 592 CG1 ILE A 35 4.452 -2.846 -3.451 1.00 10.00 C ATOM 593 CG2 ILE A 35 4.813 -2.816 -0.935 1.00 10.00 C ATOM 594 CD1 ILE A 35 3.128 -3.520 -3.810 1.00 10.00 C ATOM 0 H ILE A 35 6.360 -4.923 -0.721 1.00 10.00 H new ATOM 0 HA ILE A 35 6.699 -4.282 -3.457 1.00 10.00 H new ATOM 0 HB ILE A 35 4.628 -4.532 -2.167 1.00 10.00 H new ATOM 0 HG12 ILE A 35 4.281 -1.796 -3.214 1.00 10.00 H new ATOM 0 HG13 ILE A 35 5.127 -2.874 -4.307 1.00 10.00 H new ATOM 0 HG21 ILE A 35 3.740 -2.655 -0.833 1.00 10.00 H new ATOM 0 HG22 ILE A 35 5.171 -3.416 -0.099 1.00 10.00 H new ATOM 0 HG23 ILE A 35 5.326 -1.854 -0.937 1.00 10.00 H new ATOM 0 HD11 ILE A 35 2.679 -3.009 -4.662 1.00 10.00 H new ATOM 0 HD12 ILE A 35 3.309 -4.564 -4.067 1.00 10.00 H new ATOM 0 HD13 ILE A 35 2.451 -3.468 -2.958 1.00 10.00 H new ATOM 606 N PHE A 36 7.925 -2.066 -1.414 1.00 10.00 N ATOM 607 CA PHE A 36 8.880 -0.974 -1.366 1.00 10.00 C ATOM 608 C PHE A 36 10.144 -1.357 -2.124 1.00 10.00 C ATOM 609 O PHE A 36 10.545 -0.708 -3.085 1.00 10.00 O ATOM 610 CB PHE A 36 9.174 -0.617 0.092 1.00 10.00 C ATOM 611 CG PHE A 36 7.950 -0.175 0.866 1.00 10.00 C ATOM 612 CD1 PHE A 36 7.423 1.114 0.670 1.00 10.00 C ATOM 613 CD2 PHE A 36 7.324 -1.054 1.767 1.00 10.00 C ATOM 614 CE1 PHE A 36 6.275 1.525 1.368 1.00 10.00 C ATOM 615 CE2 PHE A 36 6.189 -0.633 2.479 1.00 10.00 C ATOM 616 CZ PHE A 36 5.656 0.652 2.277 1.00 10.00 C ATOM 0 H PHE A 36 7.658 -2.422 -0.496 1.00 10.00 H new ATOM 0 HA PHE A 36 8.463 -0.091 -1.850 1.00 10.00 H new ATOM 0 HB2 PHE A 36 9.614 -1.482 0.588 1.00 10.00 H new ATOM 0 HB3 PHE A 36 9.918 0.179 0.120 1.00 10.00 H new ATOM 0 HD1 PHE A 36 7.903 1.791 -0.021 1.00 10.00 H new ATOM 0 HD2 PHE A 36 7.715 -2.050 1.911 1.00 10.00 H new ATOM 0 HE1 PHE A 36 5.869 2.512 1.205 1.00 10.00 H new ATOM 0 HE2 PHE A 36 5.722 -1.302 3.187 1.00 10.00 H new ATOM 0 HZ PHE A 36 4.775 0.966 2.818 1.00 10.00 H new ATOM 626 N GLY A 37 10.734 -2.478 -1.727 1.00 10.00 N ATOM 627 CA GLY A 37 11.947 -3.015 -2.324 1.00 10.00 C ATOM 628 C GLY A 37 11.632 -3.779 -3.607 1.00 10.00 C ATOM 629 O GLY A 37 12.110 -4.897 -3.792 1.00 10.00 O ATOM 0 H GLY A 37 10.373 -3.050 -0.964 1.00 10.00 H new ATOM 0 HA2 GLY A 37 12.640 -2.203 -2.541 1.00 10.00 H new ATOM 0 HA3 GLY A 37 12.444 -3.677 -1.615 1.00 10.00 H new ATOM 633 N ARG A 38 10.827 -3.183 -4.490 1.00 10.00 N ATOM 634 CA ARG A 38 10.424 -3.784 -5.747 1.00 10.00 C ATOM 635 C ARG A 38 10.394 -2.652 -6.779 1.00 10.00 C ATOM 636 O ARG A 38 11.453 -2.210 -7.209 1.00 10.00 O ATOM 637 CB ARG A 38 9.109 -4.552 -5.500 1.00 10.00 C ATOM 638 CG ARG A 38 8.555 -5.336 -6.692 1.00 10.00 C ATOM 639 CD ARG A 38 7.187 -5.945 -6.337 1.00 10.00 C ATOM 640 NE ARG A 38 7.265 -6.996 -5.300 1.00 10.00 N ATOM 641 CZ ARG A 38 6.841 -8.271 -5.422 1.00 10.00 C ATOM 642 NH1 ARG A 38 6.602 -8.815 -6.618 1.00 10.00 N ATOM 643 NH2 ARG A 38 6.642 -9.018 -4.331 1.00 10.00 N ATOM 0 H ARG A 38 10.435 -2.253 -4.341 1.00 10.00 H new ATOM 0 HA ARG A 38 11.104 -4.534 -6.151 1.00 10.00 H new ATOM 0 HB2 ARG A 38 9.267 -5.247 -4.675 1.00 10.00 H new ATOM 0 HB3 ARG A 38 8.351 -3.839 -5.175 1.00 10.00 H new ATOM 0 HG2 ARG A 38 8.455 -4.678 -7.555 1.00 10.00 H new ATOM 0 HG3 ARG A 38 9.251 -6.126 -6.972 1.00 10.00 H new ATOM 0 HD2 ARG A 38 6.523 -5.152 -5.992 1.00 10.00 H new ATOM 0 HD3 ARG A 38 6.740 -6.366 -7.238 1.00 10.00 H new ATOM 0 HE ARG A 38 7.679 -6.732 -4.406 1.00 10.00 H new ATOM 0 HH11 ARG A 38 6.739 -8.264 -7.465 1.00 10.00 H new ATOM 0 HH12 ARG A 38 6.282 -9.781 -6.684 1.00 10.00 H new ATOM 0 HH21 ARG A 38 6.811 -8.624 -3.405 1.00 10.00 H new ATOM 0 HH22 ARG A 38 6.321 -9.982 -4.424 1.00 10.00 H new ATOM 657 N HIS A 39 9.205 -2.161 -7.129 1.00 10.00 N ATOM 658 CA HIS A 39 8.894 -1.018 -7.982 1.00 10.00 C ATOM 659 C HIS A 39 7.366 -0.943 -7.995 1.00 10.00 C ATOM 660 O HIS A 39 6.705 -1.770 -7.358 1.00 10.00 O ATOM 661 CB HIS A 39 9.428 -1.164 -9.419 1.00 10.00 C ATOM 662 CG HIS A 39 10.857 -0.737 -9.656 1.00 10.00 C ATOM 663 ND1 HIS A 39 11.886 -1.602 -9.942 1.00 10.00 N ATOM 664 CD2 HIS A 39 11.368 0.540 -9.689 1.00 10.00 C ATOM 665 CE1 HIS A 39 13.003 -0.871 -10.087 1.00 10.00 C ATOM 666 NE2 HIS A 39 12.737 0.438 -9.956 1.00 10.00 N ATOM 0 H HIS A 39 8.351 -2.600 -6.786 1.00 10.00 H new ATOM 0 HA HIS A 39 9.371 -0.118 -7.594 1.00 10.00 H new ATOM 0 HB2 HIS A 39 9.331 -2.209 -9.714 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.785 -0.585 -10.082 1.00 10.00 H new ATOM 0 HD1 HIS A 39 11.814 -2.616 -10.028 1.00 10.00 H new ATOM 0 HD2 HIS A 39 10.813 1.454 -9.537 1.00 10.00 H new ATOM 0 HE1 HIS A 39 13.983 -1.281 -10.283 1.00 10.00 H new ATOM 674 N SER A 40 6.794 -0.005 -8.748 1.00 10.00 N ATOM 675 CA SER A 40 5.372 0.076 -8.974 1.00 10.00 C ATOM 676 C SER A 40 4.868 -1.122 -9.775 1.00 10.00 C ATOM 677 O SER A 40 4.654 -1.062 -10.984 1.00 10.00 O ATOM 678 CB SER A 40 5.042 1.403 -9.631 1.00 10.00 C ATOM 679 OG SER A 40 5.980 1.700 -10.639 1.00 10.00 O ATOM 0 H SER A 40 7.324 0.727 -9.221 1.00 10.00 H new ATOM 0 HA SER A 40 4.849 0.036 -8.018 1.00 10.00 H new ATOM 0 HB2 SER A 40 4.040 1.365 -10.058 1.00 10.00 H new ATOM 0 HB3 SER A 40 5.040 2.196 -8.883 1.00 10.00 H new ATOM 0 HG SER A 40 5.581 2.320 -11.285 1.00 10.00 H new ATOM 685 N GLY A 41 4.639 -2.220 -9.064 1.00 10.00 N ATOM 686 CA GLY A 41 3.894 -3.340 -9.585 1.00 10.00 C ATOM 687 C GLY A 41 4.738 -4.171 -10.538 1.00 10.00 C ATOM 688 O GLY A 41 4.369 -4.384 -11.693 1.00 10.00 O ATOM 0 H GLY A 41 4.969 -2.351 -8.108 1.00 10.00 H new ATOM 0 HA2 GLY A 41 3.550 -3.965 -8.761 1.00 10.00 H new ATOM 0 HA3 GLY A 41 3.006 -2.979 -10.103 1.00 10.00 H new ATOM 692 N GLN A 42 5.846 -4.712 -10.027 1.00 10.00 N ATOM 693 CA GLN A 42 6.405 -5.960 -10.525 1.00 10.00 C ATOM 694 C GLN A 42 5.826 -7.089 -9.671 1.00 10.00 C ATOM 695 O GLN A 42 6.568 -7.932 -9.166 1.00 10.00 O ATOM 696 CB GLN A 42 7.939 -5.947 -10.458 1.00 10.00 C ATOM 697 CG GLN A 42 8.537 -4.762 -11.216 1.00 10.00 C ATOM 698 CD GLN A 42 10.063 -4.845 -11.257 1.00 10.00 C ATOM 699 OE1 GLN A 42 10.760 -4.083 -10.594 1.00 10.00 O ATOM 700 NE2 GLN A 42 10.603 -5.780 -12.032 1.00 10.00 N ATOM 0 H GLN A 42 6.375 -4.296 -9.260 1.00 10.00 H new ATOM 0 HA GLN A 42 6.143 -6.102 -11.573 1.00 10.00 H new ATOM 0 HB2 GLN A 42 8.256 -5.907 -9.416 1.00 10.00 H new ATOM 0 HB3 GLN A 42 8.328 -6.876 -10.874 1.00 10.00 H new ATOM 0 HG2 GLN A 42 8.144 -4.741 -12.232 1.00 10.00 H new ATOM 0 HG3 GLN A 42 8.234 -3.831 -10.738 1.00 10.00 H new ATOM 0 HE21 GLN A 42 10.003 -6.402 -12.574 1.00 10.00 H new ATOM 0 HE22 GLN A 42 11.617 -5.876 -12.085 1.00 10.00 H new ATOM 709 N ALA A 43 4.511 -7.071 -9.435 1.00 10.00 N ATOM 710 CA ALA A 43 3.850 -8.209 -8.824 1.00 10.00 C ATOM 711 C ALA A 43 3.857 -9.344 -9.838 1.00 10.00 C ATOM 712 O ALA A 43 3.618 -9.128 -11.027 1.00 10.00 O ATOM 713 CB ALA A 43 2.423 -7.879 -8.377 1.00 10.00 C ATOM 0 H ALA A 43 3.897 -6.288 -9.657 1.00 10.00 H new ATOM 0 HA ALA A 43 4.386 -8.498 -7.920 1.00 10.00 H new ATOM 0 HB1 ALA A 43 1.970 -8.762 -7.926 1.00 10.00 H new ATOM 0 HB2 ALA A 43 2.448 -7.071 -7.646 1.00 10.00 H new ATOM 0 HB3 ALA A 43 1.834 -7.569 -9.240 1.00 10.00 H new ATOM 719 N GLU A 44 4.138 -10.548 -9.359 1.00 10.00 N ATOM 720 CA GLU A 44 3.850 -11.770 -10.074 1.00 10.00 C ATOM 721 C GLU A 44 2.340 -11.830 -10.371 1.00 10.00 C ATOM 722 O GLU A 44 1.559 -11.095 -9.772 1.00 10.00 O ATOM 723 CB GLU A 44 4.373 -12.965 -9.252 1.00 10.00 C ATOM 724 CG GLU A 44 4.050 -12.895 -7.746 1.00 10.00 C ATOM 725 CD GLU A 44 5.102 -12.166 -6.905 1.00 10.00 C ATOM 726 OE1 GLU A 44 5.016 -10.918 -6.830 1.00 10.00 O ATOM 727 OE2 GLU A 44 5.991 -12.845 -6.355 1.00 10.00 O ATOM 0 H GLU A 44 4.578 -10.699 -8.451 1.00 10.00 H new ATOM 0 HA GLU A 44 4.359 -11.807 -11.037 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.950 -13.883 -9.659 1.00 10.00 H new ATOM 0 HB3 GLU A 44 5.454 -13.030 -9.376 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.090 -12.396 -7.616 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.937 -13.910 -7.364 1.00 10.00 H new ATOM 734 N GLY A 45 1.926 -12.688 -11.308 1.00 10.00 N ATOM 735 CA GLY A 45 0.529 -13.060 -11.519 1.00 10.00 C ATOM 736 C GLY A 45 -0.403 -11.937 -11.997 1.00 10.00 C ATOM 737 O GLY A 45 -0.884 -11.969 -13.129 1.00 10.00 O ATOM 0 H GLY A 45 2.567 -13.151 -11.952 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.496 -13.868 -12.250 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.135 -13.459 -10.584 1.00 10.00 H new ATOM 741 N TYR A 46 -0.743 -10.995 -11.114 1.00 10.00 N ATOM 742 CA TYR A 46 -1.864 -10.084 -11.294 1.00 10.00 C ATOM 743 C TYR A 46 -1.550 -9.002 -12.335 1.00 10.00 C ATOM 744 O TYR A 46 -1.209 -7.872 -11.989 1.00 10.00 O ATOM 745 CB TYR A 46 -2.270 -9.488 -9.941 1.00 10.00 C ATOM 746 CG TYR A 46 -3.568 -8.708 -9.964 1.00 10.00 C ATOM 747 CD1 TYR A 46 -4.797 -9.390 -10.035 1.00 10.00 C ATOM 748 CD2 TYR A 46 -3.554 -7.306 -9.863 1.00 10.00 C ATOM 749 CE1 TYR A 46 -6.004 -8.671 -10.013 1.00 10.00 C ATOM 750 CE2 TYR A 46 -4.764 -6.592 -9.805 1.00 10.00 C ATOM 751 CZ TYR A 46 -5.986 -7.270 -9.914 1.00 10.00 C ATOM 752 OH TYR A 46 -7.153 -6.585 -9.760 1.00 10.00 O ATOM 0 H TYR A 46 -0.236 -10.846 -10.242 1.00 10.00 H new ATOM 0 HA TYR A 46 -2.713 -10.644 -11.686 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -2.359 -10.295 -9.214 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -1.472 -8.832 -9.593 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -4.812 -10.468 -10.106 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -2.613 -6.777 -9.830 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -6.946 -9.196 -10.072 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -4.752 -5.520 -9.676 1.00 10.00 H new ATOM 0 HH TYR A 46 -7.521 -6.763 -8.869 1.00 10.00 H new ATOM 762 N SER A 47 -1.679 -9.339 -13.620 1.00 10.00 N ATOM 763 CA SER A 47 -1.420 -8.435 -14.733 1.00 10.00 C ATOM 764 C SER A 47 -2.508 -7.358 -14.860 1.00 10.00 C ATOM 765 O SER A 47 -3.288 -7.372 -15.813 1.00 10.00 O ATOM 766 CB SER A 47 -1.294 -9.266 -16.013 1.00 10.00 C ATOM 767 OG SER A 47 -2.489 -9.992 -16.221 1.00 10.00 O ATOM 0 H SER A 47 -1.973 -10.269 -13.918 1.00 10.00 H new ATOM 0 HA SER A 47 -0.488 -7.899 -14.554 1.00 10.00 H new ATOM 0 HB2 SER A 47 -1.098 -8.615 -16.865 1.00 10.00 H new ATOM 0 HB3 SER A 47 -0.449 -9.950 -15.934 1.00 10.00 H new ATOM 0 HG SER A 47 -3.240 -9.368 -16.307 1.00 10.00 H new ATOM 773 N TYR A 48 -2.554 -6.434 -13.903 1.00 10.00 N ATOM 774 CA TYR A 48 -3.350 -5.218 -13.946 1.00 10.00 C ATOM 775 C TYR A 48 -2.858 -4.222 -15.009 1.00 10.00 C ATOM 776 O TYR A 48 -1.842 -4.451 -15.663 1.00 10.00 O ATOM 777 CB TYR A 48 -3.406 -4.616 -12.536 1.00 10.00 C ATOM 778 CG TYR A 48 -2.115 -4.432 -11.741 1.00 10.00 C ATOM 779 CD1 TYR A 48 -0.834 -4.586 -12.311 1.00 10.00 C ATOM 780 CD2 TYR A 48 -2.215 -4.118 -10.372 1.00 10.00 C ATOM 781 CE1 TYR A 48 0.300 -4.656 -11.485 1.00 10.00 C ATOM 782 CE2 TYR A 48 -1.074 -4.138 -9.552 1.00 10.00 C ATOM 783 CZ TYR A 48 0.177 -4.459 -10.102 1.00 10.00 C ATOM 784 OH TYR A 48 1.265 -4.667 -9.308 1.00 10.00 O ATOM 0 H TYR A 48 -2.014 -6.519 -13.042 1.00 10.00 H new ATOM 0 HA TYR A 48 -4.364 -5.467 -14.260 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -3.880 -3.638 -12.618 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -4.069 -5.243 -11.940 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -0.725 -4.650 -13.384 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -3.175 -3.860 -9.949 1.00 10.00 H new ATOM 0 HE1 TYR A 48 1.269 -4.862 -11.916 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -1.159 -3.907 -8.500 1.00 10.00 H new ATOM 0 HH TYR A 48 1.154 -4.177 -8.467 1.00 10.00 H new ATOM 794 N THR A 49 -3.608 -3.131 -15.206 1.00 10.00 N ATOM 795 CA THR A 49 -3.353 -2.156 -16.265 1.00 10.00 C ATOM 796 C THR A 49 -2.285 -1.148 -15.836 1.00 10.00 C ATOM 797 O THR A 49 -1.288 -0.963 -16.532 1.00 10.00 O ATOM 798 CB THR A 49 -4.667 -1.538 -16.758 1.00 10.00 C ATOM 799 OG1 THR A 49 -4.481 -0.828 -17.965 1.00 10.00 O ATOM 800 CG2 THR A 49 -5.312 -0.609 -15.743 1.00 10.00 C ATOM 0 H THR A 49 -4.416 -2.901 -14.627 1.00 10.00 H new ATOM 0 HA THR A 49 -2.929 -2.658 -17.134 1.00 10.00 H new ATOM 0 HB THR A 49 -5.337 -2.383 -16.918 1.00 10.00 H new ATOM 0 HG1 THR A 49 -5.336 -0.447 -18.255 1.00 10.00 H new ATOM 0 HG21 THR A 49 -6.237 -0.206 -16.155 1.00 10.00 H new ATOM 0 HG22 THR A 49 -5.532 -1.163 -14.831 1.00 10.00 H new ATOM 0 HG23 THR A 49 -4.630 0.210 -15.514 1.00 10.00 H new ATOM 808 N ASP A 50 -2.497 -0.538 -14.668 1.00 10.00 N ATOM 809 CA ASP A 50 -1.514 0.165 -13.857 1.00 10.00 C ATOM 810 C ASP A 50 -0.530 1.032 -14.648 1.00 10.00 C ATOM 811 O ASP A 50 0.664 1.055 -14.364 1.00 10.00 O ATOM 812 CB ASP A 50 -0.870 -0.879 -12.931 1.00 10.00 C ATOM 813 CG ASP A 50 -1.837 -1.221 -11.806 1.00 10.00 C ATOM 814 OD1 ASP A 50 -3.019 -1.456 -12.144 1.00 10.00 O ATOM 815 OD2 ASP A 50 -1.390 -1.224 -10.641 1.00 10.00 O ATOM 0 H ASP A 50 -3.423 -0.524 -14.240 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.008 0.927 -13.254 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.619 -1.777 -13.496 1.00 10.00 H new ATOM 0 HB3 ASP A 50 0.062 -0.491 -12.519 1.00 10.00 H new ATOM 820 N ALA A 51 -1.036 1.816 -15.603 1.00 10.00 N ATOM 821 CA ALA A 51 -0.204 2.690 -16.421 1.00 10.00 C ATOM 822 C ALA A 51 0.429 3.795 -15.569 1.00 10.00 C ATOM 823 O ALA A 51 1.644 3.997 -15.599 1.00 10.00 O ATOM 824 CB ALA A 51 -1.041 3.277 -17.561 1.00 10.00 C ATOM 0 H ALA A 51 -2.030 1.860 -15.827 1.00 10.00 H new ATOM 0 HA ALA A 51 0.610 2.106 -16.852 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -0.417 3.930 -18.171 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.433 2.469 -18.178 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -1.870 3.851 -17.146 1.00 10.00 H new ATOM 830 N ASN A 52 -0.409 4.515 -14.813 1.00 10.00 N ATOM 831 CA ASN A 52 0.019 5.590 -13.924 1.00 10.00 C ATOM 832 C ASN A 52 0.984 5.050 -12.878 1.00 10.00 C ATOM 833 O ASN A 52 2.035 5.632 -12.627 1.00 10.00 O ATOM 834 CB ASN A 52 -1.197 6.238 -13.245 1.00 10.00 C ATOM 835 CG ASN A 52 -1.841 5.353 -12.175 1.00 10.00 C ATOM 836 OD1 ASN A 52 -2.230 4.232 -12.484 1.00 10.00 O ATOM 837 ND2 ASN A 52 -1.873 5.801 -10.920 1.00 10.00 N ATOM 0 H ASN A 52 -1.417 4.361 -14.805 1.00 10.00 H new ATOM 0 HA ASN A 52 0.531 6.350 -14.514 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -0.890 7.180 -12.790 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.942 6.478 -14.004 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.231 5.204 -10.174 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.540 6.741 -10.705 1.00 10.00 H new ATOM 844 N ILE A 53 0.587 3.927 -12.281 1.00 10.00 N ATOM 845 CA ILE A 53 1.345 3.177 -11.301 1.00 10.00 C ATOM 846 C ILE A 53 2.744 2.939 -11.862 1.00 10.00 C ATOM 847 O ILE A 53 3.723 3.340 -11.237 1.00 10.00 O ATOM 848 CB ILE A 53 0.583 1.872 -11.007 1.00 10.00 C ATOM 849 CG1 ILE A 53 -0.689 2.113 -10.176 1.00 10.00 C ATOM 850 CG2 ILE A 53 1.450 0.757 -10.403 1.00 10.00 C ATOM 851 CD1 ILE A 53 -0.456 2.111 -8.671 1.00 10.00 C ATOM 0 H ILE A 53 -0.318 3.501 -12.483 1.00 10.00 H new ATOM 0 HA ILE A 53 1.457 3.713 -10.359 1.00 10.00 H new ATOM 0 HB ILE A 53 0.276 1.505 -11.986 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -1.123 3.070 -10.465 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -1.422 1.344 -10.421 1.00 10.00 H new ATOM 0 HG21 ILE A 53 0.836 -0.126 -10.227 1.00 10.00 H new ATOM 0 HG22 ILE A 53 2.255 0.507 -11.094 1.00 10.00 H new ATOM 0 HG23 ILE A 53 1.875 1.098 -9.459 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -1.401 2.287 -8.156 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -0.052 1.146 -8.367 1.00 10.00 H new ATOM 0 HD13 ILE A 53 0.251 2.899 -8.411 1.00 10.00 H new ATOM 863 N LYS A 54 2.835 2.282 -13.025 1.00 10.00 N ATOM 864 CA LYS A 54 4.103 1.847 -13.590 1.00 10.00 C ATOM 865 C LYS A 54 5.078 3.009 -13.700 1.00 10.00 C ATOM 866 O LYS A 54 5.966 3.086 -12.864 1.00 10.00 O ATOM 867 CB LYS A 54 3.901 1.085 -14.902 1.00 10.00 C ATOM 868 CG LYS A 54 4.931 -0.030 -15.130 1.00 10.00 C ATOM 869 CD LYS A 54 4.403 -1.328 -14.498 1.00 10.00 C ATOM 870 CE LYS A 54 5.374 -2.498 -14.687 1.00 10.00 C ATOM 871 NZ LYS A 54 4.774 -3.770 -14.235 1.00 10.00 N ATOM 0 H LYS A 54 2.025 2.040 -13.596 1.00 10.00 H new ATOM 0 HA LYS A 54 4.561 1.133 -12.906 1.00 10.00 H new ATOM 0 HB2 LYS A 54 2.901 0.652 -14.910 1.00 10.00 H new ATOM 0 HB3 LYS A 54 3.950 1.789 -15.733 1.00 10.00 H new ATOM 0 HG2 LYS A 54 5.103 -0.172 -16.197 1.00 10.00 H new ATOM 0 HG3 LYS A 54 5.888 0.244 -14.686 1.00 10.00 H new ATOM 0 HD2 LYS A 54 4.231 -1.169 -13.434 1.00 10.00 H new ATOM 0 HD3 LYS A 54 3.440 -1.581 -14.942 1.00 10.00 H new ATOM 0 HE2 LYS A 54 5.651 -2.577 -15.738 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.291 -2.307 -14.129 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 5.304 -4.567 -14.641 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 4.812 -3.822 -13.197 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 3.783 -3.817 -14.548 1.00 10.00 H new ATOM 885 N LYS A 55 4.928 3.883 -14.703 1.00 10.00 N ATOM 886 CA LYS A 55 5.757 5.069 -14.951 1.00 10.00 C ATOM 887 C LYS A 55 7.196 4.944 -14.399 1.00 10.00 C ATOM 888 O LYS A 55 7.698 5.861 -13.757 1.00 10.00 O ATOM 889 CB LYS A 55 4.995 6.286 -14.392 1.00 10.00 C ATOM 890 CG LYS A 55 5.480 7.667 -14.863 1.00 10.00 C ATOM 891 CD LYS A 55 5.249 7.894 -16.364 1.00 10.00 C ATOM 892 CE LYS A 55 5.592 9.344 -16.736 1.00 10.00 C ATOM 893 NZ LYS A 55 5.380 9.617 -18.173 1.00 10.00 N ATOM 0 H LYS A 55 4.189 3.777 -15.398 1.00 10.00 H new ATOM 0 HA LYS A 55 5.912 5.188 -16.023 1.00 10.00 H new ATOM 0 HB2 LYS A 55 3.943 6.183 -14.659 1.00 10.00 H new ATOM 0 HB3 LYS A 55 5.052 6.256 -13.304 1.00 10.00 H new ATOM 0 HG2 LYS A 55 4.962 8.442 -14.298 1.00 10.00 H new ATOM 0 HG3 LYS A 55 6.543 7.769 -14.643 1.00 10.00 H new ATOM 0 HD2 LYS A 55 5.865 7.206 -16.943 1.00 10.00 H new ATOM 0 HD3 LYS A 55 4.210 7.681 -16.617 1.00 10.00 H new ATOM 0 HE2 LYS A 55 4.979 10.024 -16.144 1.00 10.00 H new ATOM 0 HE3 LYS A 55 6.632 9.547 -16.479 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 5.624 10.607 -18.378 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 5.984 8.987 -18.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 4.383 9.449 -18.415 1.00 10.00 H new ATOM 907 N ASN A 56 7.843 3.797 -14.649 1.00 10.00 N ATOM 908 CA ASN A 56 8.956 3.235 -13.893 1.00 10.00 C ATOM 909 C ASN A 56 9.176 3.855 -12.503 1.00 10.00 C ATOM 910 O ASN A 56 10.187 4.520 -12.286 1.00 10.00 O ATOM 911 CB ASN A 56 10.215 3.243 -14.754 1.00 10.00 C ATOM 912 CG ASN A 56 10.025 2.484 -16.062 1.00 10.00 C ATOM 913 OD1 ASN A 56 10.102 1.261 -16.096 1.00 10.00 O ATOM 914 ND2 ASN A 56 9.748 3.197 -17.149 1.00 10.00 N ATOM 0 H ASN A 56 7.581 3.204 -15.436 1.00 10.00 H new ATOM 0 HA ASN A 56 8.690 2.204 -13.660 1.00 10.00 H new ATOM 0 HB2 ASN A 56 10.497 4.273 -14.972 1.00 10.00 H new ATOM 0 HB3 ASN A 56 11.038 2.798 -14.195 1.00 10.00 H new ATOM 0 HD21 ASN A 56 9.593 2.727 -18.041 1.00 10.00 H new ATOM 0 HD22 ASN A 56 9.690 4.214 -17.091 1.00 10.00 H new ATOM 921 N VAL A 57 8.251 3.621 -11.563 1.00 10.00 N ATOM 922 CA VAL A 57 8.262 4.234 -10.236 1.00 10.00 C ATOM 923 C VAL A 57 8.704 3.228 -9.182 1.00 10.00 C ATOM 924 O VAL A 57 8.537 2.024 -9.352 1.00 10.00 O ATOM 925 CB VAL A 57 6.871 4.854 -9.944 1.00 10.00 C ATOM 926 CG1 VAL A 57 6.357 4.727 -8.505 1.00 10.00 C ATOM 927 CG2 VAL A 57 6.879 6.356 -10.225 1.00 10.00 C ATOM 0 H VAL A 57 7.463 2.990 -11.709 1.00 10.00 H new ATOM 0 HA VAL A 57 8.992 5.043 -10.204 1.00 10.00 H new ATOM 0 HB VAL A 57 6.217 4.277 -10.597 1.00 10.00 H new ATOM 0 HG11 VAL A 57 5.377 5.198 -8.426 1.00 10.00 H new ATOM 0 HG12 VAL A 57 6.276 3.673 -8.239 1.00 10.00 H new ATOM 0 HG13 VAL A 57 7.052 5.220 -7.825 1.00 10.00 H new ATOM 0 HG21 VAL A 57 5.893 6.771 -10.014 1.00 10.00 H new ATOM 0 HG22 VAL A 57 7.621 6.841 -9.590 1.00 10.00 H new ATOM 0 HG23 VAL A 57 7.129 6.529 -11.272 1.00 10.00 H new ATOM 937 N LEU A 58 9.263 3.735 -8.080 1.00 10.00 N ATOM 938 CA LEU A 58 9.536 2.956 -6.884 1.00 10.00 C ATOM 939 C LEU A 58 8.478 3.265 -5.833 1.00 10.00 C ATOM 940 O LEU A 58 7.796 4.290 -5.895 1.00 10.00 O ATOM 941 CB LEU A 58 10.949 3.212 -6.365 1.00 10.00 C ATOM 942 CG LEU A 58 11.834 1.969 -6.383 1.00 10.00 C ATOM 943 CD1 LEU A 58 13.271 2.392 -6.133 1.00 10.00 C ATOM 944 CD2 LEU A 58 11.395 1.035 -5.284 1.00 10.00 C ATOM 0 H LEU A 58 9.540 4.713 -7.999 1.00 10.00 H new ATOM 0 HA LEU A 58 9.486 1.894 -7.126 1.00 10.00 H new ATOM 0 HB2 LEU A 58 11.415 3.990 -6.970 1.00 10.00 H new ATOM 0 HB3 LEU A 58 10.890 3.593 -5.345 1.00 10.00 H new ATOM 0 HG LEU A 58 11.754 1.465 -7.346 1.00 10.00 H new ATOM 0 HD11 LEU A 58 13.916 1.513 -6.143 1.00 10.00 H new ATOM 0 HD12 LEU A 58 13.588 3.084 -6.914 1.00 10.00 H new ATOM 0 HD13 LEU A 58 13.342 2.883 -5.163 1.00 10.00 H new ATOM 0 HD21 LEU A 58 12.023 0.144 -5.291 1.00 10.00 H new ATOM 0 HD22 LEU A 58 11.488 1.537 -4.321 1.00 10.00 H new ATOM 0 HD23 LEU A 58 10.356 0.747 -5.444 1.00 10.00 H new ATOM 956 N TRP A 59 8.349 2.362 -4.867 1.00 10.00 N ATOM 957 CA TRP A 59 7.475 2.565 -3.731 1.00 10.00 C ATOM 958 C TRP A 59 8.343 2.959 -2.552 1.00 10.00 C ATOM 959 O TRP A 59 9.234 2.215 -2.148 1.00 10.00 O ATOM 960 CB TRP A 59 6.623 1.328 -3.436 1.00 10.00 C ATOM 961 CG TRP A 59 5.410 1.180 -4.308 1.00 10.00 C ATOM 962 CD1 TRP A 59 5.106 0.104 -5.065 1.00 10.00 C ATOM 963 CD2 TRP A 59 4.348 2.153 -4.561 1.00 10.00 C ATOM 964 NE1 TRP A 59 3.966 0.362 -5.795 1.00 10.00 N ATOM 965 CE2 TRP A 59 3.501 1.643 -5.588 1.00 10.00 C ATOM 966 CE3 TRP A 59 4.016 3.420 -4.033 1.00 10.00 C ATOM 967 CZ2 TRP A 59 2.451 2.391 -6.144 1.00 10.00 C ATOM 968 CZ3 TRP A 59 2.921 4.150 -4.535 1.00 10.00 C ATOM 969 CH2 TRP A 59 2.164 3.657 -5.612 1.00 10.00 C ATOM 0 H TRP A 59 8.849 1.473 -4.855 1.00 10.00 H new ATOM 0 HA TRP A 59 6.760 3.359 -3.945 1.00 10.00 H new ATOM 0 HB2 TRP A 59 7.245 0.440 -3.548 1.00 10.00 H new ATOM 0 HB3 TRP A 59 6.303 1.364 -2.395 1.00 10.00 H new ATOM 0 HD1 TRP A 59 5.669 -0.817 -5.094 1.00 10.00 H new ATOM 0 HE1 TRP A 59 3.520 -0.314 -6.415 1.00 10.00 H new ATOM 0 HE3 TRP A 59 4.610 3.835 -3.233 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 1.874 1.998 -6.968 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 2.660 5.098 -4.088 1.00 10.00 H new ATOM 0 HH2 TRP A 59 1.364 4.251 -6.029 1.00 10.00 H new ATOM 980 N ASP A 60 8.048 4.131 -2.005 1.00 10.00 N ATOM 981 CA ASP A 60 8.645 4.672 -0.804 1.00 10.00 C ATOM 982 C ASP A 60 7.516 4.776 0.203 1.00 10.00 C ATOM 983 O ASP A 60 6.341 4.795 -0.173 1.00 10.00 O ATOM 984 CB ASP A 60 9.240 6.070 -1.038 1.00 10.00 C ATOM 985 CG ASP A 60 9.774 6.281 -2.449 1.00 10.00 C ATOM 986 OD1 ASP A 60 8.932 6.600 -3.317 1.00 10.00 O ATOM 987 OD2 ASP A 60 10.998 6.115 -2.632 1.00 10.00 O ATOM 0 H ASP A 60 7.351 4.756 -2.411 1.00 10.00 H new ATOM 0 HA ASP A 60 9.461 4.033 -0.467 1.00 10.00 H new ATOM 0 HB2 ASP A 60 8.475 6.819 -0.833 1.00 10.00 H new ATOM 0 HB3 ASP A 60 10.048 6.235 -0.325 1.00 10.00 H new ATOM 992 N GLU A 61 7.869 4.903 1.477 1.00 10.00 N ATOM 993 CA GLU A 61 6.897 5.134 2.525 1.00 10.00 C ATOM 994 C GLU A 61 6.052 6.380 2.225 1.00 10.00 C ATOM 995 O GLU A 61 4.828 6.350 2.350 1.00 10.00 O ATOM 996 CB GLU A 61 7.613 5.117 3.875 1.00 10.00 C ATOM 997 CG GLU A 61 8.829 6.024 3.950 1.00 10.00 C ATOM 998 CD GLU A 61 10.086 5.218 4.244 1.00 10.00 C ATOM 999 OE1 GLU A 61 10.457 4.419 3.352 1.00 10.00 O ATOM 1000 OE2 GLU A 61 10.605 5.345 5.371 1.00 10.00 O ATOM 0 H GLU A 61 8.833 4.848 1.806 1.00 10.00 H new ATOM 0 HA GLU A 61 6.160 4.332 2.570 1.00 10.00 H new ATOM 0 HB2 GLU A 61 6.907 5.411 4.651 1.00 10.00 H new ATOM 0 HB3 GLU A 61 7.922 4.095 4.096 1.00 10.00 H new ATOM 0 HG2 GLU A 61 8.947 6.560 3.008 1.00 10.00 H new ATOM 0 HG3 GLU A 61 8.682 6.774 4.727 1.00 10.00 H new ATOM 1007 N ASN A 62 6.692 7.450 1.746 1.00 10.00 N ATOM 1008 CA ASN A 62 6.011 8.647 1.269 1.00 10.00 C ATOM 1009 C ASN A 62 5.056 8.325 0.116 1.00 10.00 C ATOM 1010 O ASN A 62 3.855 8.547 0.250 1.00 10.00 O ATOM 1011 CB ASN A 62 7.037 9.715 0.866 1.00 10.00 C ATOM 1012 CG ASN A 62 6.452 10.752 -0.094 1.00 10.00 C ATOM 1013 OD1 ASN A 62 6.960 10.923 -1.196 1.00 10.00 O ATOM 1014 ND2 ASN A 62 5.373 11.419 0.299 1.00 10.00 N ATOM 0 H ASN A 62 7.708 7.506 1.680 1.00 10.00 H new ATOM 0 HA ASN A 62 5.405 9.044 2.083 1.00 10.00 H new ATOM 0 HB2 ASN A 62 7.404 10.218 1.760 1.00 10.00 H new ATOM 0 HB3 ASN A 62 7.895 9.233 0.397 1.00 10.00 H new ATOM 0 HD21 ASN A 62 4.939 12.100 -0.324 1.00 10.00 H new ATOM 0 HD22 ASN A 62 4.978 11.250 1.224 1.00 10.00 H new ATOM 1021 N ASN A 63 5.576 7.824 -1.012 1.00 10.00 N ATOM 1022 CA ASN A 63 4.778 7.602 -2.217 1.00 10.00 C ATOM 1023 C ASN A 63 3.554 6.751 -1.877 1.00 10.00 C ATOM 1024 O ASN A 63 2.413 7.085 -2.204 1.00 10.00 O ATOM 1025 CB ASN A 63 5.651 6.971 -3.307 1.00 10.00 C ATOM 1026 CG ASN A 63 4.976 6.871 -4.677 1.00 10.00 C ATOM 1027 OD1 ASN A 63 3.859 7.342 -4.861 1.00 10.00 O ATOM 1028 ND2 ASN A 63 5.622 6.259 -5.672 1.00 10.00 N ATOM 0 H ASN A 63 6.557 7.563 -1.111 1.00 10.00 H new ATOM 0 HA ASN A 63 4.412 8.552 -2.607 1.00 10.00 H new ATOM 0 HB2 ASN A 63 6.565 7.556 -3.408 1.00 10.00 H new ATOM 0 HB3 ASN A 63 5.946 5.972 -2.987 1.00 10.00 H new ATOM 0 HD21 ASN A 63 5.187 6.181 -6.591 1.00 10.00 H new ATOM 0 HD22 ASN A 63 6.551 5.869 -5.513 1.00 10.00 H new ATOM 1035 N MET A 64 3.795 5.666 -1.138 1.00 10.00 N ATOM 1036 CA MET A 64 2.724 4.812 -0.670 1.00 10.00 C ATOM 1037 C MET A 64 1.739 5.588 0.204 1.00 10.00 C ATOM 1038 O MET A 64 0.540 5.534 -0.045 1.00 10.00 O ATOM 1039 CB MET A 64 3.294 3.578 0.033 1.00 10.00 C ATOM 1040 CG MET A 64 2.176 2.542 0.223 1.00 10.00 C ATOM 1041 SD MET A 64 2.677 0.811 0.351 1.00 10.00 S ATOM 1042 CE MET A 64 3.764 0.721 -1.086 1.00 10.00 C ATOM 0 H MET A 64 4.728 5.365 -0.855 1.00 10.00 H new ATOM 0 HA MET A 64 2.156 4.458 -1.530 1.00 10.00 H new ATOM 0 HB2 MET A 64 4.105 3.151 -0.557 1.00 10.00 H new ATOM 0 HB3 MET A 64 3.715 3.857 0.999 1.00 10.00 H new ATOM 0 HG2 MET A 64 1.622 2.802 1.125 1.00 10.00 H new ATOM 0 HG3 MET A 64 1.483 2.633 -0.614 1.00 10.00 H new ATOM 0 HE1 MET A 64 3.734 -0.286 -1.502 1.00 10.00 H new ATOM 0 HE2 MET A 64 3.431 1.435 -1.839 1.00 10.00 H new ATOM 0 HE3 MET A 64 4.784 0.960 -0.786 1.00 10.00 H new ATOM 1052 N SER A 65 2.219 6.320 1.212 1.00 10.00 N ATOM 1053 CA SER A 65 1.364 7.157 2.046 1.00 10.00 C ATOM 1054 C SER A 65 0.481 8.079 1.218 1.00 10.00 C ATOM 1055 O SER A 65 -0.705 8.200 1.518 1.00 10.00 O ATOM 1056 CB SER A 65 2.202 7.926 3.070 1.00 10.00 C ATOM 1057 OG SER A 65 1.396 8.680 3.957 1.00 10.00 O ATOM 0 H SER A 65 3.206 6.347 1.469 1.00 10.00 H new ATOM 0 HA SER A 65 0.686 6.502 2.593 1.00 10.00 H new ATOM 0 HB2 SER A 65 2.810 7.224 3.641 1.00 10.00 H new ATOM 0 HB3 SER A 65 2.889 8.593 2.549 1.00 10.00 H new ATOM 0 HG SER A 65 1.968 9.155 4.596 1.00 10.00 H new ATOM 1063 N GLU A 66 1.024 8.709 0.180 1.00 10.00 N ATOM 1064 CA GLU A 66 0.202 9.503 -0.719 1.00 10.00 C ATOM 1065 C GLU A 66 -0.891 8.625 -1.341 1.00 10.00 C ATOM 1066 O GLU A 66 -2.077 8.922 -1.197 1.00 10.00 O ATOM 1067 CB GLU A 66 1.064 10.252 -1.738 1.00 10.00 C ATOM 1068 CG GLU A 66 1.928 11.286 -0.999 1.00 10.00 C ATOM 1069 CD GLU A 66 2.701 12.199 -1.939 1.00 10.00 C ATOM 1070 OE1 GLU A 66 2.165 12.479 -3.033 1.00 10.00 O ATOM 1071 OE2 GLU A 66 3.801 12.622 -1.520 1.00 10.00 O ATOM 0 H GLU A 66 2.016 8.685 -0.055 1.00 10.00 H new ATOM 0 HA GLU A 66 -0.313 10.282 -0.158 1.00 10.00 H new ATOM 0 HB2 GLU A 66 1.698 9.552 -2.282 1.00 10.00 H new ATOM 0 HB3 GLU A 66 0.431 10.747 -2.474 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.289 11.892 -0.357 1.00 10.00 H new ATOM 0 HG3 GLU A 66 2.631 10.765 -0.349 1.00 10.00 H new ATOM 1078 N TYR A 67 -0.518 7.496 -1.948 1.00 10.00 N ATOM 1079 CA TYR A 67 -1.481 6.543 -2.509 1.00 10.00 C ATOM 1080 C TYR A 67 -2.508 6.031 -1.471 1.00 10.00 C ATOM 1081 O TYR A 67 -3.624 5.644 -1.827 1.00 10.00 O ATOM 1082 CB TYR A 67 -0.737 5.411 -3.234 1.00 10.00 C ATOM 1083 CG TYR A 67 -1.223 5.140 -4.653 1.00 10.00 C ATOM 1084 CD1 TYR A 67 -0.933 6.042 -5.701 1.00 10.00 C ATOM 1085 CD2 TYR A 67 -1.948 3.969 -4.939 1.00 10.00 C ATOM 1086 CE1 TYR A 67 -1.333 5.748 -7.014 1.00 10.00 C ATOM 1087 CE2 TYR A 67 -2.484 3.761 -6.224 1.00 10.00 C ATOM 1088 CZ TYR A 67 -2.172 4.652 -7.265 1.00 10.00 C ATOM 1089 OH TYR A 67 -2.683 4.472 -8.518 1.00 10.00 O ATOM 0 H TYR A 67 0.456 7.217 -2.065 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.086 7.072 -3.246 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.325 5.655 -3.268 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -0.835 4.496 -2.649 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.403 6.959 -5.492 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -2.094 3.226 -4.169 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.994 6.366 -7.832 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.134 2.918 -6.409 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.456 5.061 -8.644 1.00 10.00 H new ATOM 1099 N LEU A 68 -2.140 6.024 -0.185 1.00 10.00 N ATOM 1100 CA LEU A 68 -2.980 5.673 0.964 1.00 10.00 C ATOM 1101 C LEU A 68 -3.679 6.892 1.588 1.00 10.00 C ATOM 1102 O LEU A 68 -4.369 6.736 2.592 1.00 10.00 O ATOM 1103 CB LEU A 68 -2.112 4.972 2.028 1.00 10.00 C ATOM 1104 CG LEU A 68 -2.047 3.451 1.924 1.00 10.00 C ATOM 1105 CD1 LEU A 68 -1.619 2.997 0.537 1.00 10.00 C ATOM 1106 CD2 LEU A 68 -1.084 2.913 2.992 1.00 10.00 C ATOM 0 H LEU A 68 -1.193 6.278 0.097 1.00 10.00 H new ATOM 0 HA LEU A 68 -3.765 5.008 0.604 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -1.098 5.367 1.963 1.00 10.00 H new ATOM 0 HB3 LEU A 68 -2.494 5.235 3.014 1.00 10.00 H new ATOM 0 HG LEU A 68 -3.046 3.050 2.095 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -1.585 1.908 0.505 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -2.334 3.360 -0.201 1.00 10.00 H new ATOM 0 HD13 LEU A 68 -0.631 3.397 0.312 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -1.034 1.826 2.922 1.00 10.00 H new ATOM 0 HD22 LEU A 68 -0.091 3.333 2.832 1.00 10.00 H new ATOM 0 HD23 LEU A 68 -1.443 3.197 3.981 1.00 10.00 H new ATOM 1118 N THR A 69 -3.518 8.098 1.037 1.00 10.00 N ATOM 1119 CA THR A 69 -4.084 9.326 1.578 1.00 10.00 C ATOM 1120 C THR A 69 -5.280 9.774 0.751 1.00 10.00 C ATOM 1121 O THR A 69 -6.398 9.822 1.267 1.00 10.00 O ATOM 1122 CB THR A 69 -2.969 10.378 1.689 1.00 10.00 C ATOM 1123 OG1 THR A 69 -2.219 10.038 2.828 1.00 10.00 O ATOM 1124 CG2 THR A 69 -3.397 11.832 1.866 1.00 10.00 C ATOM 0 H THR A 69 -2.978 8.246 0.184 1.00 10.00 H new ATOM 0 HA THR A 69 -4.475 9.164 2.583 1.00 10.00 H new ATOM 0 HB THR A 69 -2.442 10.348 0.735 1.00 10.00 H new ATOM 0 HG1 THR A 69 -1.564 9.347 2.594 1.00 10.00 H new ATOM 0 HG21 THR A 69 -2.513 12.466 1.930 1.00 10.00 H new ATOM 0 HG22 THR A 69 -4.003 12.139 1.014 1.00 10.00 H new ATOM 0 HG23 THR A 69 -3.982 11.930 2.781 1.00 10.00 H new ATOM 1132 N ASN A 70 -5.072 10.140 -0.514 1.00 10.00 N ATOM 1133 CA ASN A 70 -6.155 10.786 -1.249 1.00 10.00 C ATOM 1134 C ASN A 70 -7.267 9.782 -1.586 1.00 10.00 C ATOM 1135 O ASN A 70 -6.961 8.692 -2.066 1.00 10.00 O ATOM 1136 CB ASN A 70 -5.671 11.521 -2.500 1.00 10.00 C ATOM 1137 CG ASN A 70 -6.823 12.243 -3.181 1.00 10.00 C ATOM 1138 OD1 ASN A 70 -7.057 13.422 -2.939 1.00 10.00 O ATOM 1139 ND2 ASN A 70 -7.588 11.534 -4.004 1.00 10.00 N ATOM 0 H ASN A 70 -4.203 10.008 -1.032 1.00 10.00 H new ATOM 0 HA ASN A 70 -6.569 11.548 -0.588 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -4.896 12.238 -2.229 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -5.220 10.811 -3.193 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -8.394 11.969 -4.453 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -7.369 10.555 -4.187 1.00 10.00 H new ATOM 1146 N PRO A 71 -8.547 10.120 -1.355 1.00 10.00 N ATOM 1147 CA PRO A 71 -9.666 9.257 -1.697 1.00 10.00 C ATOM 1148 C PRO A 71 -9.770 9.089 -3.215 1.00 10.00 C ATOM 1149 O PRO A 71 -10.189 10.002 -3.925 1.00 10.00 O ATOM 1150 CB PRO A 71 -10.905 9.914 -1.080 1.00 10.00 C ATOM 1151 CG PRO A 71 -10.525 11.392 -1.005 1.00 10.00 C ATOM 1152 CD PRO A 71 -9.020 11.353 -0.746 1.00 10.00 C ATOM 0 HA PRO A 71 -9.548 8.247 -1.305 1.00 10.00 H new ATOM 0 HB2 PRO A 71 -11.791 9.758 -1.696 1.00 10.00 H new ATOM 0 HB3 PRO A 71 -11.127 9.506 -0.094 1.00 10.00 H new ATOM 0 HG2 PRO A 71 -10.761 11.916 -1.931 1.00 10.00 H new ATOM 0 HG3 PRO A 71 -11.058 11.905 -0.204 1.00 10.00 H new ATOM 0 HD2 PRO A 71 -8.525 12.220 -1.183 1.00 10.00 H new ATOM 0 HD3 PRO A 71 -8.806 11.369 0.323 1.00 10.00 H new ATOM 1160 N LYS A 72 -9.381 7.910 -3.710 1.00 10.00 N ATOM 1161 CA LYS A 72 -9.308 7.598 -5.125 1.00 10.00 C ATOM 1162 C LYS A 72 -8.490 8.668 -5.866 1.00 10.00 C ATOM 1163 O LYS A 72 -7.430 9.069 -5.381 1.00 10.00 O ATOM 1164 CB LYS A 72 -10.726 7.319 -5.667 1.00 10.00 C ATOM 1165 CG LYS A 72 -10.705 6.302 -6.810 1.00 10.00 C ATOM 1166 CD LYS A 72 -12.084 5.712 -7.137 1.00 10.00 C ATOM 1167 CE LYS A 72 -11.885 4.560 -8.138 1.00 10.00 C ATOM 1168 NZ LYS A 72 -13.126 3.813 -8.432 1.00 10.00 N ATOM 0 H LYS A 72 -9.102 7.131 -3.114 1.00 10.00 H new ATOM 0 HA LYS A 72 -8.756 6.675 -5.305 1.00 10.00 H new ATOM 0 HB2 LYS A 72 -11.357 6.947 -4.860 1.00 10.00 H new ATOM 0 HB3 LYS A 72 -11.172 8.250 -6.017 1.00 10.00 H new ATOM 0 HG2 LYS A 72 -10.304 6.781 -7.703 1.00 10.00 H new ATOM 0 HG3 LYS A 72 -10.025 5.491 -6.550 1.00 10.00 H new ATOM 0 HD2 LYS A 72 -12.568 5.349 -6.230 1.00 10.00 H new ATOM 0 HD3 LYS A 72 -12.735 6.477 -7.561 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -11.484 4.963 -9.068 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -11.140 3.870 -7.742 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -12.885 2.879 -8.821 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -13.674 3.693 -7.557 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -13.693 4.341 -9.126 1.00 10.00 H new ATOM 1182 N LYS A 73 -8.936 9.111 -7.047 1.00 10.00 N ATOM 1183 CA LYS A 73 -8.294 10.139 -7.864 1.00 10.00 C ATOM 1184 C LYS A 73 -6.976 9.666 -8.500 1.00 10.00 C ATOM 1185 O LYS A 73 -6.671 10.083 -9.616 1.00 10.00 O ATOM 1186 CB LYS A 73 -8.148 11.453 -7.077 1.00 10.00 C ATOM 1187 CG LYS A 73 -8.369 12.745 -7.881 1.00 10.00 C ATOM 1188 CD LYS A 73 -7.377 12.932 -9.037 1.00 10.00 C ATOM 1189 CE LYS A 73 -7.402 14.377 -9.554 1.00 10.00 C ATOM 1190 NZ LYS A 73 -6.469 14.572 -10.684 1.00 10.00 N ATOM 0 H LYS A 73 -9.788 8.747 -7.474 1.00 10.00 H new ATOM 0 HA LYS A 73 -8.953 10.341 -8.708 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -8.856 11.438 -6.248 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -7.149 11.485 -6.642 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -9.383 12.744 -8.281 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -8.293 13.599 -7.207 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -6.371 12.679 -8.702 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -7.625 12.247 -9.848 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -8.414 14.633 -9.870 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -7.139 15.057 -8.744 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -6.515 15.560 -11.005 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.500 14.352 -10.376 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -6.735 13.941 -11.467 1.00 10.00 H new ATOM 1204 N TYR A 74 -6.193 8.799 -7.845 1.00 10.00 N ATOM 1205 CA TYR A 74 -4.968 8.238 -8.387 1.00 10.00 C ATOM 1206 C TYR A 74 -5.223 7.230 -9.505 1.00 10.00 C ATOM 1207 O TYR A 74 -5.022 6.027 -9.372 1.00 10.00 O ATOM 1208 CB TYR A 74 -4.201 7.526 -7.309 1.00 10.00 C ATOM 1209 CG TYR A 74 -3.713 8.371 -6.165 1.00 10.00 C ATOM 1210 CD1 TYR A 74 -2.721 9.343 -6.383 1.00 10.00 C ATOM 1211 CD2 TYR A 74 -4.215 8.151 -4.874 1.00 10.00 C ATOM 1212 CE1 TYR A 74 -2.300 10.162 -5.325 1.00 10.00 C ATOM 1213 CE2 TYR A 74 -3.768 8.947 -3.813 1.00 10.00 C ATOM 1214 CZ TYR A 74 -2.847 9.987 -4.044 1.00 10.00 C ATOM 1215 OH TYR A 74 -2.583 10.904 -3.070 1.00 10.00 O ATOM 0 H TYR A 74 -6.406 8.467 -6.904 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.405 9.080 -8.790 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -4.834 6.736 -6.904 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -3.339 7.041 -7.767 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -2.284 9.459 -7.364 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -4.942 7.372 -4.700 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -1.556 10.926 -5.496 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -4.131 8.763 -2.813 1.00 10.00 H new ATOM 0 HH TYR A 74 -2.390 10.441 -2.228 1.00 10.00 H new ATOM 1225 N ILE A 75 -5.646 7.805 -10.611 1.00 10.00 N ATOM 1226 CA ILE A 75 -5.920 7.251 -11.924 1.00 10.00 C ATOM 1227 C ILE A 75 -6.147 5.726 -11.897 1.00 10.00 C ATOM 1228 O ILE A 75 -5.429 5.005 -12.585 1.00 10.00 O ATOM 1229 CB ILE A 75 -4.775 7.682 -12.875 1.00 10.00 C ATOM 1230 CG1 ILE A 75 -4.222 9.095 -12.573 1.00 10.00 C ATOM 1231 CG2 ILE A 75 -5.267 7.637 -14.330 1.00 10.00 C ATOM 1232 CD1 ILE A 75 -3.054 9.109 -11.566 1.00 10.00 C ATOM 0 H ILE A 75 -5.831 8.808 -10.610 1.00 10.00 H new ATOM 0 HA ILE A 75 -6.864 7.649 -12.297 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.959 6.977 -12.715 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -3.890 9.551 -13.506 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -5.030 9.715 -12.185 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -4.460 7.941 -14.997 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -5.580 6.622 -14.577 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -6.111 8.316 -14.450 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -2.723 10.135 -11.407 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -3.385 8.684 -10.618 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -2.227 8.518 -11.959 1.00 10.00 H new ATOM 1244 N PRO A 76 -7.114 5.201 -11.115 1.00 10.00 N ATOM 1245 CA PRO A 76 -7.105 3.778 -10.787 1.00 10.00 C ATOM 1246 C PRO A 76 -7.369 2.902 -12.010 1.00 10.00 C ATOM 1247 O PRO A 76 -6.619 1.967 -12.290 1.00 10.00 O ATOM 1248 CB PRO A 76 -8.164 3.599 -9.693 1.00 10.00 C ATOM 1249 CG PRO A 76 -8.174 4.970 -9.030 1.00 10.00 C ATOM 1250 CD PRO A 76 -8.071 5.885 -10.245 1.00 10.00 C ATOM 0 HA PRO A 76 -6.124 3.458 -10.435 1.00 10.00 H new ATOM 0 HB2 PRO A 76 -9.138 3.340 -10.108 1.00 10.00 H new ATOM 0 HB3 PRO A 76 -7.896 2.809 -8.991 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -9.086 5.145 -8.459 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -7.338 5.102 -8.343 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -9.037 6.012 -10.734 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -7.721 6.880 -9.969 1.00 10.00 H new ATOM 1258 N GLY A 77 -8.458 3.206 -12.730 1.00 10.00 N ATOM 1259 CA GLY A 77 -8.914 2.462 -13.896 1.00 10.00 C ATOM 1260 C GLY A 77 -9.398 1.072 -13.488 1.00 10.00 C ATOM 1261 O GLY A 77 -10.598 0.811 -13.455 1.00 10.00 O ATOM 0 H GLY A 77 -9.058 4.000 -12.505 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -9.721 3.005 -14.388 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -8.103 2.373 -14.618 1.00 10.00 H new ATOM 1265 N THR A 78 -8.440 0.209 -13.155 1.00 10.00 N ATOM 1266 CA THR A 78 -8.533 -1.112 -12.588 1.00 10.00 C ATOM 1267 C THR A 78 -9.851 -1.380 -11.861 1.00 10.00 C ATOM 1268 O THR A 78 -10.608 -2.253 -12.292 1.00 10.00 O ATOM 1269 CB THR A 78 -7.292 -1.253 -11.700 1.00 10.00 C ATOM 1270 OG1 THR A 78 -6.178 -0.738 -12.402 1.00 10.00 O ATOM 1271 CG2 THR A 78 -7.029 -2.710 -11.367 1.00 10.00 C ATOM 0 H THR A 78 -7.463 0.464 -13.300 1.00 10.00 H new ATOM 0 HA THR A 78 -8.547 -1.876 -13.365 1.00 10.00 H new ATOM 0 HB THR A 78 -7.456 -0.707 -10.771 1.00 10.00 H new ATOM 0 HG1 THR A 78 -6.144 0.235 -12.292 1.00 10.00 H new ATOM 0 HG21 THR A 78 -6.143 -2.785 -10.736 1.00 10.00 H new ATOM 0 HG22 THR A 78 -7.888 -3.123 -10.838 1.00 10.00 H new ATOM 0 HG23 THR A 78 -6.867 -3.270 -12.288 1.00 10.00 H new ATOM 1279 N LYS A 79 -10.124 -0.694 -10.744 1.00 10.00 N ATOM 1280 CA LYS A 79 -11.401 -0.675 -10.084 1.00 10.00 C ATOM 1281 C LYS A 79 -11.478 0.423 -9.020 1.00 10.00 C ATOM 1282 O LYS A 79 -12.233 1.391 -9.163 1.00 10.00 O ATOM 1283 CB LYS A 79 -11.687 -2.059 -9.513 1.00 10.00 C ATOM 1284 CG LYS A 79 -10.549 -2.829 -8.815 1.00 10.00 C ATOM 1285 CD LYS A 79 -10.805 -4.346 -8.813 1.00 10.00 C ATOM 1286 CE LYS A 79 -10.257 -5.094 -10.044 1.00 10.00 C ATOM 1287 NZ LYS A 79 -10.932 -4.744 -11.313 1.00 10.00 N ATOM 0 H LYS A 79 -9.425 -0.121 -10.271 1.00 10.00 H new ATOM 0 HA LYS A 79 -12.176 -0.432 -10.811 1.00 10.00 H new ATOM 0 HB2 LYS A 79 -12.503 -1.958 -8.797 1.00 10.00 H new ATOM 0 HB3 LYS A 79 -12.054 -2.682 -10.329 1.00 10.00 H new ATOM 0 HG2 LYS A 79 -9.606 -2.620 -9.319 1.00 10.00 H new ATOM 0 HG3 LYS A 79 -10.447 -2.476 -7.789 1.00 10.00 H new ATOM 0 HD2 LYS A 79 -10.358 -4.775 -7.916 1.00 10.00 H new ATOM 0 HD3 LYS A 79 -11.879 -4.519 -8.748 1.00 10.00 H new ATOM 0 HE2 LYS A 79 -9.192 -4.882 -10.141 1.00 10.00 H new ATOM 0 HE3 LYS A 79 -10.354 -6.167 -9.877 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 -10.724 -5.470 -12.028 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 -11.959 -4.695 -11.158 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 -10.588 -3.821 -11.646 1.00 10.00 H new ATOM 1301 N MET A 80 -10.764 0.238 -7.909 1.00 10.00 N ATOM 1302 CA MET A 80 -11.101 0.845 -6.645 1.00 10.00 C ATOM 1303 C MET A 80 -9.833 1.175 -5.859 1.00 10.00 C ATOM 1304 O MET A 80 -8.985 0.310 -5.661 1.00 10.00 O ATOM 1305 CB MET A 80 -11.951 -0.165 -5.875 1.00 10.00 C ATOM 1306 CG MET A 80 -13.453 -0.003 -6.132 1.00 10.00 C ATOM 1307 SD MET A 80 -14.489 -1.145 -5.183 1.00 10.00 S ATOM 1308 CE MET A 80 -16.127 -0.587 -5.699 1.00 10.00 C ATOM 0 H MET A 80 -9.928 -0.346 -7.873 1.00 10.00 H new ATOM 0 HA MET A 80 -11.647 1.776 -6.797 1.00 10.00 H new ATOM 0 HB2 MET A 80 -11.647 -1.174 -6.153 1.00 10.00 H new ATOM 0 HB3 MET A 80 -11.757 -0.056 -4.808 1.00 10.00 H new ATOM 0 HG2 MET A 80 -13.744 1.020 -5.893 1.00 10.00 H new ATOM 0 HG3 MET A 80 -13.647 -0.149 -7.194 1.00 10.00 H new ATOM 0 HE1 MET A 80 -16.889 -1.189 -5.204 1.00 10.00 H new ATOM 0 HE2 MET A 80 -16.258 0.460 -5.426 1.00 10.00 H new ATOM 0 HE3 MET A 80 -16.225 -0.695 -6.779 1.00 10.00 H new ATOM 1318 N ALA A 81 -9.775 2.409 -5.355 1.00 10.00 N ATOM 1319 CA ALA A 81 -8.826 2.895 -4.372 1.00 10.00 C ATOM 1320 C ALA A 81 -9.645 3.731 -3.392 1.00 10.00 C ATOM 1321 O ALA A 81 -10.732 4.181 -3.759 1.00 10.00 O ATOM 1322 CB ALA A 81 -7.756 3.739 -5.061 1.00 10.00 C ATOM 0 H ALA A 81 -10.432 3.133 -5.645 1.00 10.00 H new ATOM 0 HA ALA A 81 -8.308 2.086 -3.857 1.00 10.00 H new ATOM 0 HB1 ALA A 81 -7.045 4.102 -4.319 1.00 10.00 H new ATOM 0 HB2 ALA A 81 -7.232 3.131 -5.798 1.00 10.00 H new ATOM 0 HB3 ALA A 81 -8.226 4.587 -5.558 1.00 10.00 H new ATOM 1328 N PHE A 82 -9.160 3.884 -2.155 1.00 10.00 N ATOM 1329 CA PHE A 82 -9.978 4.314 -1.022 1.00 10.00 C ATOM 1330 C PHE A 82 -9.363 5.491 -0.254 1.00 10.00 C ATOM 1331 O PHE A 82 -10.096 6.356 0.219 1.00 10.00 O ATOM 1332 CB PHE A 82 -10.283 3.109 -0.120 1.00 10.00 C ATOM 1333 CG PHE A 82 -9.196 2.745 0.874 1.00 10.00 C ATOM 1334 CD1 PHE A 82 -7.957 2.234 0.445 1.00 10.00 C ATOM 1335 CD2 PHE A 82 -9.384 3.054 2.231 1.00 10.00 C ATOM 1336 CE1 PHE A 82 -6.893 2.113 1.358 1.00 10.00 C ATOM 1337 CE2 PHE A 82 -8.345 2.855 3.151 1.00 10.00 C ATOM 1338 CZ PHE A 82 -7.087 2.394 2.724 1.00 10.00 C ATOM 0 H PHE A 82 -8.184 3.712 -1.913 1.00 10.00 H new ATOM 0 HA PHE A 82 -10.921 4.700 -1.410 1.00 10.00 H new ATOM 0 HB2 PHE A 82 -11.201 3.313 0.431 1.00 10.00 H new ATOM 0 HB3 PHE A 82 -10.477 2.243 -0.753 1.00 10.00 H new ATOM 0 HD1 PHE A 82 -7.823 1.935 -0.584 1.00 10.00 H new ATOM 0 HD2 PHE A 82 -10.332 3.446 2.567 1.00 10.00 H new ATOM 0 HE1 PHE A 82 -5.920 1.802 1.008 1.00 10.00 H new ATOM 0 HE2 PHE A 82 -8.513 3.058 4.198 1.00 10.00 H new ATOM 0 HZ PHE A 82 -6.283 2.258 3.432 1.00 10.00 H new ATOM 1348 N GLY A 83 -8.032 5.552 -0.152 1.00 10.00 N ATOM 1349 CA GLY A 83 -7.331 6.672 0.460 1.00 10.00 C ATOM 1350 C GLY A 83 -7.263 6.538 1.980 1.00 10.00 C ATOM 1351 O GLY A 83 -7.086 5.438 2.494 1.00 10.00 O ATOM 0 H GLY A 83 -7.412 4.819 -0.495 1.00 10.00 H new ATOM 0 HA2 GLY A 83 -6.321 6.733 0.055 1.00 10.00 H new ATOM 0 HA3 GLY A 83 -7.836 7.602 0.200 1.00 10.00 H new ATOM 1355 N GLY A 84 -7.363 7.665 2.690 1.00 10.00 N ATOM 1356 CA GLY A 84 -7.133 7.762 4.124 1.00 10.00 C ATOM 1357 C GLY A 84 -7.802 6.652 4.935 1.00 10.00 C ATOM 1358 O GLY A 84 -9.028 6.576 5.002 1.00 10.00 O ATOM 0 H GLY A 84 -7.614 8.558 2.266 1.00 10.00 H new ATOM 0 HA2 GLY A 84 -6.060 7.740 4.312 1.00 10.00 H new ATOM 0 HA3 GLY A 84 -7.498 8.727 4.476 1.00 10.00 H new ATOM 1362 N LEU A 85 -6.973 5.841 5.598 1.00 10.00 N ATOM 1363 CA LEU A 85 -7.356 4.775 6.517 1.00 10.00 C ATOM 1364 C LEU A 85 -8.517 5.192 7.411 1.00 10.00 C ATOM 1365 O LEU A 85 -9.602 4.602 7.346 1.00 10.00 O ATOM 1366 CB LEU A 85 -6.150 4.420 7.382 1.00 10.00 C ATOM 1367 CG LEU A 85 -5.093 3.637 6.612 1.00 10.00 C ATOM 1368 CD1 LEU A 85 -3.787 4.404 6.694 1.00 10.00 C ATOM 1369 CD2 LEU A 85 -4.918 2.243 7.227 1.00 10.00 C ATOM 0 H LEU A 85 -5.961 5.918 5.500 1.00 10.00 H new ATOM 0 HA LEU A 85 -7.680 3.914 5.933 1.00 10.00 H new ATOM 0 HB2 LEU A 85 -5.706 5.335 7.775 1.00 10.00 H new ATOM 0 HB3 LEU A 85 -6.481 3.833 8.239 1.00 10.00 H new ATOM 0 HG LEU A 85 -5.398 3.517 5.572 1.00 10.00 H new ATOM 0 HD11 LEU A 85 -3.013 3.863 6.150 1.00 10.00 H new ATOM 0 HD12 LEU A 85 -3.917 5.392 6.254 1.00 10.00 H new ATOM 0 HD13 LEU A 85 -3.491 4.508 7.738 1.00 10.00 H new ATOM 0 HD21 LEU A 85 -4.161 1.692 6.670 1.00 10.00 H new ATOM 0 HD22 LEU A 85 -4.604 2.341 8.266 1.00 10.00 H new ATOM 0 HD23 LEU A 85 -5.865 1.704 7.183 1.00 10.00 H new ATOM 1381 N LYS A 86 -8.241 6.209 8.231 1.00 10.00 N ATOM 1382 CA LYS A 86 -9.218 7.029 8.909 1.00 10.00 C ATOM 1383 C LYS A 86 -8.555 8.327 9.377 1.00 10.00 C ATOM 1384 O LYS A 86 -9.126 9.391 9.127 1.00 10.00 O ATOM 1385 CB LYS A 86 -9.915 6.287 10.055 1.00 10.00 C ATOM 1386 CG LYS A 86 -11.131 7.058 10.581 1.00 10.00 C ATOM 1387 CD LYS A 86 -12.289 7.151 9.565 1.00 10.00 C ATOM 1388 CE LYS A 86 -12.679 8.589 9.171 1.00 10.00 C ATOM 1389 NZ LYS A 86 -11.695 9.257 8.290 1.00 10.00 N ATOM 0 H LYS A 86 -7.283 6.487 8.443 1.00 10.00 H new ATOM 0 HA LYS A 86 -10.010 7.276 8.202 1.00 10.00 H new ATOM 0 HB2 LYS A 86 -10.231 5.302 9.710 1.00 10.00 H new ATOM 0 HB3 LYS A 86 -9.207 6.128 10.868 1.00 10.00 H new ATOM 0 HG2 LYS A 86 -11.493 6.575 11.489 1.00 10.00 H new ATOM 0 HG3 LYS A 86 -10.820 8.065 10.858 1.00 10.00 H new ATOM 0 HD2 LYS A 86 -12.010 6.604 8.664 1.00 10.00 H new ATOM 0 HD3 LYS A 86 -13.163 6.652 9.983 1.00 10.00 H new ATOM 0 HE2 LYS A 86 -13.646 8.568 8.669 1.00 10.00 H new ATOM 0 HE3 LYS A 86 -12.803 9.183 10.077 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 -12.024 10.218 8.068 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 -10.776 9.309 8.773 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 -11.593 8.714 7.409 1.00 10.00 H new ATOM 1403 N LYS A 87 -7.401 8.250 10.053 1.00 10.00 N ATOM 1404 CA LYS A 87 -6.636 9.402 10.528 1.00 10.00 C ATOM 1405 C LYS A 87 -5.275 9.534 9.823 1.00 10.00 C ATOM 1406 O LYS A 87 -4.821 8.653 9.094 1.00 10.00 O ATOM 1407 CB LYS A 87 -6.402 9.302 12.046 1.00 10.00 C ATOM 1408 CG LYS A 87 -7.629 8.925 12.889 1.00 10.00 C ATOM 1409 CD LYS A 87 -8.703 10.023 12.864 1.00 10.00 C ATOM 1410 CE LYS A 87 -9.915 9.675 13.741 1.00 10.00 C ATOM 1411 NZ LYS A 87 -9.573 9.570 15.176 1.00 10.00 N ATOM 0 H LYS A 87 -6.965 7.359 10.289 1.00 10.00 H new ATOM 0 HA LYS A 87 -7.228 10.287 10.294 1.00 10.00 H new ATOM 0 HB2 LYS A 87 -5.621 8.564 12.226 1.00 10.00 H new ATOM 0 HB3 LYS A 87 -6.023 10.261 12.400 1.00 10.00 H new ATOM 0 HG2 LYS A 87 -8.054 7.994 12.515 1.00 10.00 H new ATOM 0 HG3 LYS A 87 -7.320 8.743 13.918 1.00 10.00 H new ATOM 0 HD2 LYS A 87 -8.267 10.962 13.206 1.00 10.00 H new ATOM 0 HD3 LYS A 87 -9.034 10.181 11.837 1.00 10.00 H new ATOM 0 HE2 LYS A 87 -10.683 10.437 13.610 1.00 10.00 H new ATOM 0 HE3 LYS A 87 -10.342 8.731 13.404 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 -10.445 9.469 15.734 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 -8.966 8.740 15.328 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 -9.068 10.428 15.476 1.00 10.00 H new ATOM 1425 N GLU A 88 -4.602 10.653 10.103 1.00 10.00 N ATOM 1426 CA GLU A 88 -3.263 10.985 9.631 1.00 10.00 C ATOM 1427 C GLU A 88 -2.225 10.110 10.336 1.00 10.00 C ATOM 1428 O GLU A 88 -1.366 9.471 9.730 1.00 10.00 O ATOM 1429 CB GLU A 88 -3.027 12.470 9.935 1.00 10.00 C ATOM 1430 CG GLU A 88 -2.124 13.181 8.927 1.00 10.00 C ATOM 1431 CD GLU A 88 -0.704 12.633 8.906 1.00 10.00 C ATOM 1432 OE1 GLU A 88 -0.147 12.479 10.015 1.00 10.00 O ATOM 1433 OE2 GLU A 88 -0.201 12.369 7.790 1.00 10.00 O ATOM 0 H GLU A 88 -4.998 11.384 10.693 1.00 10.00 H new ATOM 0 HA GLU A 88 -3.169 10.802 8.561 1.00 10.00 H new ATOM 0 HB2 GLU A 88 -3.990 12.980 9.966 1.00 10.00 H new ATOM 0 HB3 GLU A 88 -2.586 12.560 10.928 1.00 10.00 H new ATOM 0 HG2 GLU A 88 -2.558 13.088 7.931 1.00 10.00 H new ATOM 0 HG3 GLU A 88 -2.093 14.245 9.163 1.00 10.00 H new ATOM 1440 N LYS A 89 -2.292 10.081 11.666 1.00 10.00 N ATOM 1441 CA LYS A 89 -1.356 9.261 12.413 1.00 10.00 C ATOM 1442 C LYS A 89 -1.530 7.777 12.075 1.00 10.00 C ATOM 1443 O LYS A 89 -0.544 7.045 12.084 1.00 10.00 O ATOM 1444 CB LYS A 89 -1.392 9.594 13.906 1.00 10.00 C ATOM 1445 CG LYS A 89 -0.008 9.431 14.558 1.00 10.00 C ATOM 1446 CD LYS A 89 0.883 10.693 14.548 1.00 10.00 C ATOM 1447 CE LYS A 89 1.356 11.199 13.170 1.00 10.00 C ATOM 1448 NZ LYS A 89 0.332 12.001 12.465 1.00 10.00 N ATOM 0 H LYS A 89 -2.965 10.601 12.230 1.00 10.00 H new ATOM 0 HA LYS A 89 -0.340 9.503 12.101 1.00 10.00 H new ATOM 0 HB2 LYS A 89 -1.740 10.618 14.042 1.00 10.00 H new ATOM 0 HB3 LYS A 89 -2.109 8.944 14.407 1.00 10.00 H new ATOM 0 HG2 LYS A 89 -0.147 9.114 15.591 1.00 10.00 H new ATOM 0 HG3 LYS A 89 0.523 8.628 14.047 1.00 10.00 H new ATOM 0 HD2 LYS A 89 0.336 11.499 15.036 1.00 10.00 H new ATOM 0 HD3 LYS A 89 1.764 10.492 15.157 1.00 10.00 H new ATOM 0 HE2 LYS A 89 2.255 11.801 13.300 1.00 10.00 H new ATOM 0 HE3 LYS A 89 1.631 10.345 12.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 89 0.268 11.689 11.475 1.00 10.00 H new ATOM 0 HZ2 LYS A 89 -0.590 11.872 12.929 1.00 10.00 H new ATOM 0 HZ3 LYS A 89 0.597 13.006 12.495 1.00 10.00 H new ATOM 1462 N ASP A 90 -2.744 7.358 11.698 1.00 10.00 N ATOM 1463 CA ASP A 90 -2.999 5.996 11.253 1.00 10.00 C ATOM 1464 C ASP A 90 -2.168 5.705 10.018 1.00 10.00 C ATOM 1465 O ASP A 90 -1.503 4.683 9.971 1.00 10.00 O ATOM 1466 CB ASP A 90 -4.465 5.753 10.865 1.00 10.00 C ATOM 1467 CG ASP A 90 -5.511 5.929 11.949 1.00 10.00 C ATOM 1468 OD1 ASP A 90 -5.149 5.919 13.144 1.00 10.00 O ATOM 1469 OD2 ASP A 90 -6.676 6.122 11.536 1.00 10.00 O ATOM 0 H ASP A 90 -3.570 7.956 11.695 1.00 10.00 H new ATOM 0 HA ASP A 90 -2.744 5.350 12.093 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.713 6.427 10.045 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -4.548 4.737 10.479 1.00 10.00 H new ATOM 1474 N ARG A 91 -2.225 6.570 8.998 1.00 10.00 N ATOM 1475 CA ARG A 91 -1.416 6.354 7.801 1.00 10.00 C ATOM 1476 C ARG A 91 0.057 6.225 8.148 1.00 10.00 C ATOM 1477 O ARG A 91 0.707 5.269 7.731 1.00 10.00 O ATOM 1478 CB ARG A 91 -1.726 7.307 6.641 1.00 10.00 C ATOM 1479 CG ARG A 91 -1.450 8.766 6.908 1.00 10.00 C ATOM 1480 CD ARG A 91 -1.651 9.535 5.609 1.00 10.00 C ATOM 1481 NE ARG A 91 -1.310 10.949 5.791 1.00 10.00 N ATOM 1482 CZ ARG A 91 -2.000 12.015 5.394 1.00 10.00 C ATOM 1483 NH1 ARG A 91 -3.102 11.843 4.678 1.00 10.00 N ATOM 1484 NH2 ARG A 91 -1.566 13.228 5.732 1.00 10.00 N ATOM 0 H ARG A 91 -2.809 7.406 8.979 1.00 10.00 H new ATOM 0 HA ARG A 91 -1.717 5.390 7.391 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.143 6.998 5.774 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -2.777 7.197 6.374 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -2.119 9.144 7.681 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.432 8.899 7.275 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.030 9.103 4.824 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -2.687 9.444 5.282 1.00 10.00 H new ATOM 0 HE ARG A 91 -0.437 11.139 6.282 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -3.412 10.902 4.437 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.640 12.652 4.368 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -0.716 13.329 6.287 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -2.083 14.056 5.436 1.00 10.00 H new ATOM 1498 N ASN A 92 0.562 7.140 8.973 1.00 10.00 N ATOM 1499 CA ASN A 92 1.948 7.076 9.414 1.00 10.00 C ATOM 1500 C ASN A 92 2.229 5.690 10.013 1.00 10.00 C ATOM 1501 O ASN A 92 3.138 4.985 9.573 1.00 10.00 O ATOM 1502 CB ASN A 92 2.241 8.227 10.377 1.00 10.00 C ATOM 1503 CG ASN A 92 2.408 9.580 9.679 1.00 10.00 C ATOM 1504 OD1 ASN A 92 3.508 10.118 9.577 1.00 10.00 O ATOM 1505 ND2 ASN A 92 1.297 10.171 9.250 1.00 10.00 N ATOM 0 H ASN A 92 0.034 7.929 9.346 1.00 10.00 H new ATOM 0 HA ASN A 92 2.627 7.200 8.571 1.00 10.00 H new ATOM 0 HB2 ASN A 92 1.430 8.299 11.102 1.00 10.00 H new ATOM 0 HB3 ASN A 92 3.149 8.001 10.936 1.00 10.00 H new ATOM 0 HD21 ASN A 92 1.344 11.096 8.823 1.00 10.00 H new ATOM 0 HD22 ASN A 92 0.398 9.699 9.348 1.00 10.00 H new ATOM 1512 N ASP A 93 1.386 5.272 10.962 1.00 10.00 N ATOM 1513 CA ASP A 93 1.468 3.967 11.603 1.00 10.00 C ATOM 1514 C ASP A 93 1.482 2.822 10.580 1.00 10.00 C ATOM 1515 O ASP A 93 2.377 1.975 10.592 1.00 10.00 O ATOM 1516 CB ASP A 93 0.297 3.796 12.591 1.00 10.00 C ATOM 1517 CG ASP A 93 0.776 3.150 13.875 1.00 10.00 C ATOM 1518 OD1 ASP A 93 1.458 3.825 14.682 1.00 10.00 O ATOM 1519 OD2 ASP A 93 0.433 1.967 14.063 1.00 10.00 O ATOM 0 H ASP A 93 0.616 5.845 11.308 1.00 10.00 H new ATOM 0 HA ASP A 93 2.411 3.921 12.147 1.00 10.00 H new ATOM 0 HB2 ASP A 93 -0.147 4.767 12.809 1.00 10.00 H new ATOM 0 HB3 ASP A 93 -0.483 3.184 12.138 1.00 10.00 H new ATOM 1524 N LEU A 94 0.472 2.797 9.704 1.00 10.00 N ATOM 1525 CA LEU A 94 0.264 1.776 8.690 1.00 10.00 C ATOM 1526 C LEU A 94 1.533 1.638 7.865 1.00 10.00 C ATOM 1527 O LEU A 94 2.146 0.570 7.851 1.00 10.00 O ATOM 1528 CB LEU A 94 -0.968 2.058 7.817 1.00 10.00 C ATOM 1529 CG LEU A 94 -1.549 0.770 7.195 1.00 10.00 C ATOM 1530 CD1 LEU A 94 -2.051 0.972 5.780 1.00 10.00 C ATOM 1531 CD2 LEU A 94 -0.612 -0.436 7.057 1.00 10.00 C ATOM 0 H LEU A 94 -0.248 3.520 9.687 1.00 10.00 H new ATOM 0 HA LEU A 94 0.054 0.827 9.184 1.00 10.00 H new ATOM 0 HB2 LEU A 94 -1.734 2.546 8.419 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.697 2.753 7.022 1.00 10.00 H new ATOM 0 HG LEU A 94 -2.325 0.556 7.930 1.00 10.00 H new ATOM 0 HD11 LEU A 94 -2.447 0.032 5.397 1.00 10.00 H new ATOM 0 HD12 LEU A 94 -2.839 1.726 5.777 1.00 10.00 H new ATOM 0 HD13 LEU A 94 -1.229 1.304 5.146 1.00 10.00 H new ATOM 0 HD21 LEU A 94 -1.153 -1.268 6.606 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.235 -0.168 6.425 1.00 10.00 H new ATOM 0 HD23 LEU A 94 -0.251 -0.731 8.042 1.00 10.00 H new ATOM 1543 N ILE A 95 1.932 2.724 7.196 1.00 10.00 N ATOM 1544 CA ILE A 95 3.105 2.723 6.342 1.00 10.00 C ATOM 1545 C ILE A 95 4.280 2.130 7.091 1.00 10.00 C ATOM 1546 O ILE A 95 4.951 1.248 6.566 1.00 10.00 O ATOM 1547 CB ILE A 95 3.387 4.124 5.785 1.00 10.00 C ATOM 1548 CG1 ILE A 95 2.504 4.371 4.547 1.00 10.00 C ATOM 1549 CG2 ILE A 95 4.850 4.275 5.353 1.00 10.00 C ATOM 1550 CD1 ILE A 95 1.109 4.879 4.901 1.00 10.00 C ATOM 0 H ILE A 95 1.448 3.621 7.236 1.00 10.00 H new ATOM 0 HA ILE A 95 2.922 2.092 5.472 1.00 10.00 H new ATOM 0 HB ILE A 95 3.171 4.841 6.577 1.00 10.00 H new ATOM 0 HG12 ILE A 95 2.994 5.095 3.897 1.00 10.00 H new ATOM 0 HG13 ILE A 95 2.414 3.444 3.981 1.00 10.00 H new ATOM 0 HG21 ILE A 95 5.013 5.280 4.964 1.00 10.00 H new ATOM 0 HG22 ILE A 95 5.502 4.108 6.211 1.00 10.00 H new ATOM 0 HG23 ILE A 95 5.078 3.544 4.577 1.00 10.00 H new ATOM 0 HD11 ILE A 95 0.535 5.034 3.987 1.00 10.00 H new ATOM 0 HD12 ILE A 95 0.602 4.145 5.527 1.00 10.00 H new ATOM 0 HD13 ILE A 95 1.191 5.822 5.442 1.00 10.00 H new ATOM 1562 N THR A 96 4.521 2.580 8.318 1.00 10.00 N ATOM 1563 CA THR A 96 5.638 2.037 9.064 1.00 10.00 C ATOM 1564 C THR A 96 5.511 0.531 9.283 1.00 10.00 C ATOM 1565 O THR A 96 6.480 -0.214 9.129 1.00 10.00 O ATOM 1566 CB THR A 96 5.830 2.743 10.377 1.00 10.00 C ATOM 1567 OG1 THR A 96 5.879 4.130 10.199 1.00 10.00 O ATOM 1568 CG2 THR A 96 7.042 2.275 11.188 1.00 10.00 C ATOM 0 H THR A 96 3.976 3.295 8.800 1.00 10.00 H new ATOM 0 HA THR A 96 6.523 2.210 8.452 1.00 10.00 H new ATOM 0 HB THR A 96 4.955 2.472 10.967 1.00 10.00 H new ATOM 0 HG1 THR A 96 4.975 4.471 10.033 1.00 10.00 H new ATOM 0 HG21 THR A 96 7.098 2.841 12.118 1.00 10.00 H new ATOM 0 HG22 THR A 96 6.940 1.214 11.415 1.00 10.00 H new ATOM 0 HG23 THR A 96 7.951 2.437 10.609 1.00 10.00 H new ATOM 1576 N TYR A 97 4.331 0.070 9.695 1.00 10.00 N ATOM 1577 CA TYR A 97 4.166 -1.328 10.021 1.00 10.00 C ATOM 1578 C TYR A 97 4.354 -2.174 8.770 1.00 10.00 C ATOM 1579 O TYR A 97 5.008 -3.209 8.818 1.00 10.00 O ATOM 1580 CB TYR A 97 2.818 -1.566 10.710 1.00 10.00 C ATOM 1581 CG TYR A 97 2.923 -2.345 12.009 1.00 10.00 C ATOM 1582 CD1 TYR A 97 3.653 -3.550 12.059 1.00 10.00 C ATOM 1583 CD2 TYR A 97 2.332 -1.843 13.184 1.00 10.00 C ATOM 1584 CE1 TYR A 97 3.721 -4.283 13.256 1.00 10.00 C ATOM 1585 CE2 TYR A 97 2.362 -2.601 14.365 1.00 10.00 C ATOM 1586 CZ TYR A 97 3.062 -3.818 14.404 1.00 10.00 C ATOM 1587 OH TYR A 97 3.080 -4.561 15.546 1.00 10.00 O ATOM 0 H TYR A 97 3.493 0.641 9.807 1.00 10.00 H new ATOM 0 HA TYR A 97 4.932 -1.634 10.734 1.00 10.00 H new ATOM 0 HB2 TYR A 97 2.349 -0.603 10.912 1.00 10.00 H new ATOM 0 HB3 TYR A 97 2.161 -2.104 10.027 1.00 10.00 H new ATOM 0 HD1 TYR A 97 4.161 -3.910 11.176 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.855 -0.874 13.177 1.00 10.00 H new ATOM 0 HE1 TYR A 97 4.281 -5.206 13.292 1.00 10.00 H new ATOM 0 HE2 TYR A 97 1.846 -2.248 15.245 1.00 10.00 H new ATOM 0 HH TYR A 97 2.578 -4.096 16.247 1.00 10.00 H new ATOM 1597 N LEU A 98 3.807 -1.722 7.644 1.00 10.00 N ATOM 1598 CA LEU A 98 3.860 -2.428 6.389 1.00 10.00 C ATOM 1599 C LEU A 98 5.250 -2.319 5.765 1.00 10.00 C ATOM 1600 O LEU A 98 5.700 -3.260 5.110 1.00 10.00 O ATOM 1601 CB LEU A 98 2.644 -2.007 5.560 1.00 10.00 C ATOM 1602 CG LEU A 98 2.934 -1.143 4.344 1.00 10.00 C ATOM 1603 CD1 LEU A 98 3.221 -2.063 3.163 1.00 10.00 C ATOM 1604 CD2 LEU A 98 1.670 -0.357 4.035 1.00 10.00 C ATOM 0 H LEU A 98 3.306 -0.835 7.589 1.00 10.00 H new ATOM 0 HA LEU A 98 3.758 -3.508 6.491 1.00 10.00 H new ATOM 0 HB2 LEU A 98 2.127 -2.907 5.227 1.00 10.00 H new ATOM 0 HB3 LEU A 98 1.956 -1.466 6.210 1.00 10.00 H new ATOM 0 HG LEU A 98 3.779 -0.479 4.524 1.00 10.00 H new ATOM 0 HD11 LEU A 98 3.432 -1.463 2.278 1.00 10.00 H new ATOM 0 HD12 LEU A 98 4.083 -2.690 3.391 1.00 10.00 H new ATOM 0 HD13 LEU A 98 2.353 -2.695 2.975 1.00 10.00 H new ATOM 0 HD21 LEU A 98 1.840 0.277 3.165 1.00 10.00 H new ATOM 0 HD22 LEU A 98 0.853 -1.048 3.826 1.00 10.00 H new ATOM 0 HD23 LEU A 98 1.409 0.264 4.892 1.00 10.00 H new ATOM 1616 N LYS A 99 5.966 -1.222 6.040 1.00 10.00 N ATOM 1617 CA LYS A 99 7.394 -1.165 5.823 1.00 10.00 C ATOM 1618 C LYS A 99 8.029 -2.341 6.553 1.00 10.00 C ATOM 1619 O LYS A 99 8.460 -3.299 5.922 1.00 10.00 O ATOM 1620 CB LYS A 99 7.956 0.182 6.257 1.00 10.00 C ATOM 1621 CG LYS A 99 7.742 1.220 5.156 1.00 10.00 C ATOM 1622 CD LYS A 99 8.829 1.227 4.076 1.00 10.00 C ATOM 1623 CE LYS A 99 10.201 1.581 4.660 1.00 10.00 C ATOM 1624 NZ LYS A 99 11.158 1.894 3.586 1.00 10.00 N ATOM 0 H LYS A 99 5.565 -0.363 6.415 1.00 10.00 H new ATOM 0 HA LYS A 99 7.628 -1.250 4.762 1.00 10.00 H new ATOM 0 HB2 LYS A 99 7.469 0.509 7.176 1.00 10.00 H new ATOM 0 HB3 LYS A 99 9.019 0.087 6.477 1.00 10.00 H new ATOM 0 HG2 LYS A 99 6.777 1.037 4.683 1.00 10.00 H new ATOM 0 HG3 LYS A 99 7.691 2.209 5.611 1.00 10.00 H new ATOM 0 HD2 LYS A 99 8.877 0.247 3.601 1.00 10.00 H new ATOM 0 HD3 LYS A 99 8.567 1.946 3.300 1.00 10.00 H new ATOM 0 HE2 LYS A 99 10.107 2.435 5.331 1.00 10.00 H new ATOM 0 HE3 LYS A 99 10.574 0.748 5.255 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 12.124 1.685 3.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 10.941 1.317 2.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 11.086 2.902 3.340 1.00 10.00 H new ATOM 1638 N LYS A 100 8.021 -2.303 7.885 1.00 10.00 N ATOM 1639 CA LYS A 100 8.793 -3.253 8.673 1.00 10.00 C ATOM 1640 C LYS A 100 8.367 -4.692 8.391 1.00 10.00 C ATOM 1641 O LYS A 100 9.205 -5.593 8.417 1.00 10.00 O ATOM 1642 CB LYS A 100 8.731 -2.940 10.172 1.00 10.00 C ATOM 1643 CG LYS A 100 10.125 -2.780 10.807 1.00 10.00 C ATOM 1644 CD LYS A 100 11.037 -4.026 10.727 1.00 10.00 C ATOM 1645 CE LYS A 100 12.037 -4.024 9.547 1.00 10.00 C ATOM 1646 NZ LYS A 100 11.826 -5.138 8.597 1.00 10.00 N ATOM 0 H LYS A 100 7.491 -1.627 8.435 1.00 10.00 H new ATOM 0 HA LYS A 100 9.833 -3.148 8.364 1.00 10.00 H new ATOM 0 HB2 LYS A 100 8.160 -2.024 10.324 1.00 10.00 H new ATOM 0 HB3 LYS A 100 8.193 -3.739 10.683 1.00 10.00 H new ATOM 0 HG2 LYS A 100 10.633 -1.947 10.322 1.00 10.00 H new ATOM 0 HG3 LYS A 100 9.999 -2.509 11.855 1.00 10.00 H new ATOM 0 HD2 LYS A 100 11.596 -4.110 11.659 1.00 10.00 H new ATOM 0 HD3 LYS A 100 10.409 -4.914 10.651 1.00 10.00 H new ATOM 0 HE2 LYS A 100 11.954 -3.078 9.011 1.00 10.00 H new ATOM 0 HE3 LYS A 100 13.052 -4.079 9.940 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 12.527 -5.079 7.831 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 11.933 -6.044 9.096 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 10.869 -5.075 8.195 1.00 10.00 H new ATOM 1660 N ALA A 101 7.075 -4.900 8.137 1.00 10.00 N ATOM 1661 CA ALA A 101 6.506 -6.192 7.803 1.00 10.00 C ATOM 1662 C ALA A 101 7.317 -6.905 6.724 1.00 10.00 C ATOM 1663 O ALA A 101 7.600 -8.092 6.881 1.00 10.00 O ATOM 1664 CB ALA A 101 5.057 -6.011 7.348 1.00 10.00 C ATOM 0 H ALA A 101 6.383 -4.151 8.160 1.00 10.00 H new ATOM 0 HA ALA A 101 6.534 -6.817 8.696 1.00 10.00 H new ATOM 0 HB1 ALA A 101 4.630 -6.982 7.097 1.00 10.00 H new ATOM 0 HB2 ALA A 101 4.477 -5.557 8.152 1.00 10.00 H new ATOM 0 HB3 ALA A 101 5.029 -5.365 6.470 1.00 10.00 H new ATOM 1670 N THR A 102 7.646 -6.213 5.621 1.00 10.00 N ATOM 1671 CA THR A 102 8.250 -6.866 4.462 1.00 10.00 C ATOM 1672 C THR A 102 9.496 -6.185 3.874 1.00 10.00 C ATOM 1673 O THR A 102 10.082 -6.725 2.936 1.00 10.00 O ATOM 1674 CB THR A 102 7.180 -7.205 3.412 1.00 10.00 C ATOM 1675 OG1 THR A 102 6.710 -6.047 2.750 1.00 10.00 O ATOM 1676 CG2 THR A 102 5.983 -7.935 4.035 1.00 10.00 C ATOM 0 H THR A 102 7.503 -5.209 5.513 1.00 10.00 H new ATOM 0 HA THR A 102 8.666 -7.799 4.842 1.00 10.00 H new ATOM 0 HB THR A 102 7.665 -7.861 2.689 1.00 10.00 H new ATOM 0 HG1 THR A 102 5.779 -6.182 2.476 1.00 10.00 H new ATOM 0 HG21 THR A 102 5.249 -8.157 3.260 1.00 10.00 H new ATOM 0 HG22 THR A 102 6.321 -8.865 4.491 1.00 10.00 H new ATOM 0 HG23 THR A 102 5.527 -7.302 4.796 1.00 10.00 H new ATOM 1684 N GLU A 103 9.926 -5.053 4.433 1.00 10.00 N ATOM 1685 CA GLU A 103 11.226 -4.450 4.269 1.00 10.00 C ATOM 1686 C GLU A 103 11.807 -4.465 5.687 1.00 10.00 C ATOM 1687 O GLU A 103 12.531 -5.414 6.062 1.00 10.00 O ATOM 1688 CB GLU A 103 11.031 -3.039 3.702 1.00 10.00 C ATOM 1689 CG GLU A 103 12.352 -2.279 3.590 1.00 10.00 C ATOM 1690 CD GLU A 103 12.165 -0.807 3.240 1.00 10.00 C ATOM 1691 OE1 GLU A 103 11.237 -0.476 2.466 1.00 10.00 O ATOM 1692 OE2 GLU A 103 12.900 0.037 3.801 1.00 10.00 O ATOM 1693 OXT GLU A 103 11.412 -3.606 6.501 1.00 10.00 O ATOM 0 H GLU A 103 9.327 -4.506 5.051 1.00 10.00 H new ATOM 0 HA GLU A 103 11.897 -4.959 3.577 1.00 10.00 H new ATOM 0 HB2 GLU A 103 10.566 -3.105 2.718 1.00 10.00 H new ATOM 0 HB3 GLU A 103 10.346 -2.483 4.342 1.00 10.00 H new ATOM 0 HG2 GLU A 103 12.891 -2.357 4.535 1.00 10.00 H new ATOM 0 HG3 GLU A 103 12.973 -2.752 2.829 1.00 10.00 H new TER 1700 GLU A 103 HETATM 1701 N1 IMD A 104 -4.593 0.958 -3.005 1.00 10.00 N HETATM 1702 C2 IMD A 104 -4.521 1.867 -2.017 1.00 10.00 C HETATM 1703 N3 IMD A 104 -4.648 3.119 -2.499 1.00 10.00 N HETATM 1704 C4 IMD A 104 -4.837 3.025 -3.859 1.00 10.00 C HETATM 1705 C5 IMD A 104 -4.821 1.694 -4.174 1.00 10.00 C HETATM 0 HN3 IMD A 104 -4.611 3.981 -1.954 1.00 10.00 H new HETATM 0 H5 IMD A 104 -4.962 1.276 -5.170 1.00 10.00 H new HETATM 0 H4 IMD A 104 -4.974 3.854 -4.553 1.00 10.00 H new HETATM 0 H2 IMD A 104 -4.379 1.623 -0.964 1.00 10.00 H new HETATM 1710 FE HEC A1018 -4.254 -0.992 -2.855 1.00 10.00 FE HETATM 1711 CHA HEC A1018 -2.707 -0.629 -5.864 1.00 10.00 C HETATM 1712 CHB HEC A1018 -1.282 -0.822 -1.222 1.00 10.00 C HETATM 1713 CHC HEC A1018 -5.933 -0.759 0.078 1.00 10.00 C HETATM 1714 CHD HEC A1018 -7.139 -1.895 -4.454 1.00 10.00 C HETATM 1715 NA HEC A1018 -2.374 -0.770 -3.422 1.00 10.00 N HETATM 1716 C1A HEC A1018 -1.951 -0.627 -4.717 1.00 10.00 C HETATM 1717 C2A HEC A1018 -0.517 -0.479 -4.702 1.00 10.00 C HETATM 1718 C3A HEC A1018 -0.105 -0.624 -3.403 1.00 10.00 C HETATM 1719 C4A HEC A1018 -1.295 -0.758 -2.596 1.00 10.00 C HETATM 1720 CMA HEC A1018 1.327 -0.544 -2.923 1.00 10.00 C HETATM 1721 CAA HEC A1018 0.391 -0.285 -5.891 1.00 10.00 C HETATM 1722 CBA HEC A1018 0.380 -1.379 -6.975 1.00 10.00 C HETATM 1723 CGA HEC A1018 0.400 -2.816 -6.441 1.00 10.00 C HETATM 1724 O1A HEC A1018 -0.462 -3.144 -5.593 1.00 10.00 O HETATM 1725 O2A HEC A1018 1.257 -3.588 -6.929 1.00 10.00 O HETATM 1726 NB HEC A1018 -3.717 -0.855 -0.939 1.00 10.00 N HETATM 1727 C1B HEC A1018 -2.440 -0.835 -0.489 1.00 10.00 C HETATM 1728 C2B HEC A1018 -2.466 -0.788 0.954 1.00 10.00 C HETATM 1729 C3B HEC A1018 -3.790 -0.724 1.328 1.00 10.00 C HETATM 1730 C4B HEC A1018 -4.565 -0.783 0.110 1.00 10.00 C HETATM 1731 CMB HEC A1018 -1.249 -0.800 1.853 1.00 10.00 C HETATM 1732 CAB HEC A1018 -4.342 -0.549 2.733 1.00 10.00 C HETATM 1733 CBB HEC A1018 -4.042 0.829 3.297 1.00 10.00 C HETATM 1734 NC HEC A1018 -6.173 -1.236 -2.296 1.00 10.00 N HETATM 1735 C1C HEC A1018 -6.646 -1.057 -1.047 1.00 10.00 C HETATM 1736 C2C HEC A1018 -8.074 -1.273 -1.057 1.00 10.00 C HETATM 1737 C3C HEC A1018 -8.382 -1.764 -2.302 1.00 10.00 C HETATM 1738 C4C HEC A1018 -7.190 -1.626 -3.112 1.00 10.00 C HETATM 1739 CMC HEC A1018 -9.046 -1.092 0.091 1.00 10.00 C HETATM 1740 CAC HEC A1018 -9.665 -2.477 -2.687 1.00 10.00 C HETATM 1741 CBC HEC A1018 -10.926 -1.624 -2.525 1.00 10.00 C HETATM 1742 ND HEC A1018 -4.801 -1.258 -4.784 1.00 10.00 N HETATM 1743 C1D HEC A1018 -6.026 -1.639 -5.203 1.00 10.00 C HETATM 1744 C2D HEC A1018 -6.013 -1.726 -6.641 1.00 10.00 C HETATM 1745 C3D HEC A1018 -4.786 -1.268 -7.058 1.00 10.00 C HETATM 1746 C4D HEC A1018 -4.008 -1.033 -5.864 1.00 10.00 C HETATM 1747 CMD HEC A1018 -7.186 -2.131 -7.501 1.00 10.00 C HETATM 1748 CAD HEC A1018 -4.377 -0.942 -8.480 1.00 10.00 C HETATM 1749 CBD HEC A1018 -4.530 0.548 -8.813 1.00 10.00 C HETATM 1750 CGD HEC A1018 -5.883 1.119 -8.372 1.00 10.00 C HETATM 1751 O1D HEC A1018 -6.928 0.597 -8.834 1.00 10.00 O HETATM 1752 O2D HEC A1018 -5.852 2.065 -7.552 1.00 10.00 O HETATM 0 HMD3 HEC A1018 -7.503 -3.139 -7.233 1.00 10.00 H new HETATM 0 HMD2 HEC A1018 -8.011 -1.437 -7.341 1.00 10.00 H new HETATM 0 HMD1 HEC A1018 -6.892 -2.110 -8.550 1.00 10.00 H new HETATM 0 HMC3 HEC A1018 -8.766 -1.751 0.912 1.00 10.00 H new HETATM 0 HMC2 HEC A1018 -9.019 -0.057 0.431 1.00 10.00 H new HETATM 0 HMC1 HEC A1018 -10.054 -1.337 -0.244 1.00 10.00 H new HETATM 0 HMB3 HEC A1018 -0.681 -1.715 1.685 1.00 10.00 H new HETATM 0 HMB2 HEC A1018 -0.622 0.063 1.628 1.00 10.00 H new HETATM 0 HMB1 HEC A1018 -1.566 -0.756 2.895 1.00 10.00 H new HETATM 0 HMA3 HEC A1018 1.920 -1.315 -3.416 1.00 10.00 H new HETATM 0 HMA2 HEC A1018 1.737 0.437 -3.162 1.00 10.00 H new HETATM 0 HMA1 HEC A1018 1.358 -0.697 -1.844 1.00 10.00 H new HETATM 0 HBD2 HEC A1018 -3.729 1.108 -8.329 1.00 10.00 H new HETATM 0 HBD1 HEC A1018 -4.414 0.689 -9.888 1.00 10.00 H new HETATM 0 HBC3 HEC A1018 -11.028 -1.320 -1.483 1.00 10.00 H new HETATM 0 HBC2 HEC A1018 -10.850 -0.738 -3.156 1.00 10.00 H new HETATM 0 HBC1 HEC A1018 -11.799 -2.206 -2.821 1.00 10.00 H new HETATM 0 HBB3 HEC A1018 -2.963 0.980 3.335 1.00 10.00 H new HETATM 0 HBB2 HEC A1018 -4.492 1.589 2.659 1.00 10.00 H new HETATM 0 HBB1 HEC A1018 -4.455 0.908 4.302 1.00 10.00 H new HETATM 0 HBA2 HEC A1018 -0.508 -1.249 -7.593 1.00 10.00 H new HETATM 0 HBA1 HEC A1018 1.244 -1.236 -7.624 1.00 10.00 H new HETATM 0 HAD2 HEC A1018 -3.340 -1.240 -8.633 1.00 10.00 H new HETATM 0 HAD1 HEC A1018 -4.982 -1.529 -9.171 1.00 10.00 H new HETATM 0 HAA2 HEC A1018 0.129 0.661 -6.364 1.00 10.00 H new HETATM 0 HAA1 HEC A1018 1.412 -0.185 -5.523 1.00 10.00 H new HETATM 0 HHD HEC A1018 -8.014 -2.327 -4.939 1.00 10.00 H new HETATM 0 HHC HEC A1018 -6.474 -0.492 0.986 1.00 10.00 H new HETATM 0 HHB HEC A1018 -0.325 -0.863 -0.702 1.00 10.00 H new HETATM 0 HHA HEC A1018 -2.254 -0.299 -6.799 1.00 10.00 H new HETATM 0 H2D HEC A1018 -5.815 2.916 -8.036 1.00 10.00 H new HETATM 0 H2A HEC A1018 1.485 -4.280 -6.273 1.00 10.00 H new CONECT 291 1732 CONECT 337 1740 CONECT 351 1710 CONECT 1701 1702 1705 1710 CONECT 1702 1701 1703 1706 CONECT 1703 1702 1704 1707 CONECT 1704 1703 1705 1708 CONECT 1705 1701 1704 1709 CONECT 1706 1702 CONECT 1707 1703 CONECT 1708 1704 CONECT 1709 1705 CONECT 1710 351 1701 1715 1726 CONECT 1710 1734 1742 CONECT 1711 1716 1746 1753 CONECT 1712 1719 1727 1754 CONECT 1713 1730 1735 1755 CONECT 1714 1738 1743 1756 CONECT 1715 1710 1716 1719 CONECT 1716 1711 1715 1717 CONECT 1717 1716 1718 1721 CONECT 1718 1717 1719 1720 CONECT 1719 1712 1715 1718 CONECT 1720 1718 1757 1758 1759 CONECT 1721 1717 1722 1760 1761 CONECT 1722 1721 1723 1762 1763 CONECT 1723 1722 1724 1725 CONECT 1724 1723 CONECT 1725 1723 CONECT 1726 1710 1727 1730 CONECT 1727 1712 1726 1728 CONECT 1728 1727 1729 1731 CONECT 1729 1728 1730 1732 CONECT 1730 1713 1726 1729 CONECT 1731 1728 1764 1765 1766 CONECT 1732 291 1729 1733 1767 CONECT 1733 1732 1768 1769 1770 CONECT 1734 1710 1735 1738 CONECT 1735 1713 1734 1736 CONECT 1736 1735 1737 1739 CONECT 1737 1736 1738 1740 CONECT 1738 1714 1734 1737 CONECT 1739 1736 1771 1772 1773 CONECT 1740 337 1737 1741 1774 CONECT 1741 1740 1775 1776 1777 CONECT 1742 1710 1743 1746 CONECT 1743 1714 1742 1744 CONECT 1744 1743 1745 1747 CONECT 1745 1744 1746 1748 CONECT 1746 1711 1742 1745 CONECT 1747 1744 1778 1779 1780 CONECT 1748 1745 1749 1781 1782 CONECT 1749 1748 1750 1783 1784 CONECT 1750 1749 1751 1752 CONECT 1751 1750 CONECT 1752 1750 CONECT 1753 1711 CONECT 1754 1712 CONECT 1755 1713 CONECT 1756 1714 CONECT 1757 1720 CONECT 1758 1720 CONECT 1759 1720 CONECT 1760 1721 CONECT 1761 1721 CONECT 1762 1722 CONECT 1763 1722 CONECT 1764 1731 CONECT 1765 1731 CONECT 1766 1731 CONECT 1767 1732 CONECT 1768 1733 CONECT 1769 1733 CONECT 1770 1733 CONECT 1771 1739 CONECT 1772 1739 CONECT 1773 1739 CONECT 1774 1740 CONECT 1775 1741 CONECT 1776 1741 CONECT 1777 1741 CONECT 1778 1747 CONECT 1779 1747 CONECT 1780 1747 CONECT 1781 1748 CONECT 1782 1748 CONECT 1783 1749 CONECT 1784 1749 END