USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) HEADER ELECTRON TRANSPORT 28-FEB-01 1I5T TITLE SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; SOURCE 3 ORGANISM_COMMON: HORSE; SOURCE 4 ORGANISM_TAXID: 9796; SOURCE 5 TISSUE: HEART KEYWDS CYTOCHROME C, CYANIDE, NMR STRUCTURE, CONFORMATIONAL KEYWDS 2 TRANSITION, ELECTRON TRANSPORT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR Y.YAO,C.QIAN,K.YE,J.WANG,W.TANG REVDAT 5 24-FEB-09 1I5T 1 VERSN REVDAT 4 01-APR-03 1I5T 1 JRNL REVDAT 3 31-DEC-02 1I5T 1 REMARK REVDAT 2 31-JUL-02 1I5T 1 JRNL REVDAT 1 21-MAR-01 1I5T 0 JRNL AUTH Y.YAO,C.QIAN,K.YE,J.WANG,Z.BAI,W.TANG JRNL TITL SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C: JRNL TITL 2 LIGAND-CONTROLLED CONFORMATIONAL FLEXIBILITY AND JRNL TITL 3 ELECTRONIC STRUCTURE OF THE HEME MOIETY. JRNL REF J.BIOL.INORG.CHEM. V. 7 539 2002 JRNL REFN ISSN 0949-8257 JRNL PMID 11941512 JRNL DOI 10.1007/S00775-001-0334-Y REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1I5T COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-MAR-01. REMARK 100 THE RCSB ID CODE IS RCSB012940. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 5MM CYTOCHROME C,50MM REMARK 210 POTASSIUM CYANIDE; 5MM REMARK 210 CYTOCHROME C, 50MM POTASSIUM REMARK 210 CYANIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL 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 : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 35 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES REMARK 210 SUBMITTED REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 LYS A 13 28.02 -142.57 REMARK 500 CYS A 14 -49.80 -133.92 REMARK 500 LYS A 27 -146.19 -107.21 REMARK 500 HIS A 33 84.69 13.86 REMARK 500 LYS A 60 -94.55 -126.02 REMARK 500 GLU A 61 -52.94 -147.76 REMARK 500 MET A 80 -84.25 -66.37 REMARK 500 ILE A 81 -50.09 -150.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 THR A 78 LYS A 79 149.32 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 HIS A 18 0.09 SIDE_CHAIN REMARK 500 TYR A 48 0.08 SIDE_CHAIN REMARK 500 TYR A 67 0.07 SIDE_CHAIN REMARK 500 TYR A 74 0.08 SIDE_CHAIN REMARK 500 ARG A 91 0.14 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 A 110 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 18 NE2 REMARK 620 2 CYN A 105 C 176.8 REMARK 620 3 CYN A 105 N 175.6 1.2 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CYN A 105 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 110 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AKK RELATED DB: PDB REMARK 900 1AKK CONTAINS SOLUTION STRUCTURE OF THE NATIVE OXIDIZED REMARK 900 HORSE HEART CYTOCHROME C REMARK 900 RELATED ID: 1I5U RELATED DB: PDB REMARK 900 1I5U CONTAINS SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE REMARK 900 MUTANT (E48A/E56A/D60A) DBREF 1I5T A 1 104 UNP P00004 CYC_HORSE 1 104 SEQRES 1 A 104 GLY ASP VAL GLU LYS GLY LYS LYS ILE PHE VAL GLN LYS SEQRES 2 A 104 CYS ALA GLN CYS HIS THR VAL GLU LYS GLY GLY LYS HIS SEQRES 3 A 104 LYS THR GLY PRO ASN LEU HIS GLY LEU PHE GLY ARG LYS SEQRES 4 A 104 THR GLY GLN ALA PRO GLY PHE THR TYR THR ASP ALA ASN SEQRES 5 A 104 LYS ASN LYS GLY ILE THR TRP LYS GLU GLU THR LEU MET SEQRES 6 A 104 GLU TYR LEU GLU ASN PRO LYS LYS TYR ILE PRO GLY THR SEQRES 7 A 104 LYS MET ILE PHE ALA GLY ILE LYS LYS LYS THR GLU ARG SEQRES 8 A 104 GLU ASP LEU ILE ALA TYR LEU LYS LYS ALA THR ASN GLU HET CYN A 105 2 HET HEC A 110 75 HETNAM CYN CYANIDE ION HETNAM HEC HEME C FORMUL 2 CYN C N 1- FORMUL 3 HEC C34 H34 FE N4 O4 HELIX 1 1 ASP A 2 CYS A 14 1 13 HELIX 2 2 THR A 49 GLY A 56 1 8 HELIX 3 3 GLU A 61 LEU A 68 1 8 HELIX 4 4 ASN A 70 ILE A 75 1 6 HELIX 5 5 LYS A 87 GLU A 104 1 18 LINK FE HEC A 110 NE2 HIS A 18 1555 1555 1.96 LINK FE HEC A 110 C CYN A 105 1555 1555 1.84 LINK SG CYS A 14 CAB HEC A 110 1555 1555 1.84 LINK SG CYS A 17 CAC HEC A 110 1555 1555 1.83 LINK FE HEC A 110 N CYN A 105 1555 1555 3.09 CISPEP 1 MET A 80 ILE A 81 0 -13.23 SITE *** AC1 2 TYR A 67 HEC A 110 SITE *** AC2 11 LYS A 13 CYS A 14 GLN A 16 CYS A 17 SITE *** AC2 11 HIS A 18 THR A 28 PRO A 30 TRP A 59 SITE *** AC2 11 TYR A 67 LEU A 68 CYN A 105 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 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 19 THR OG1 : rot 172:sc= 0.717 USER MOD Set 1.2: A 31 ASN : amide:sc= 1.12 K(o=1.8,f=-8.3!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.213 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.15) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -0.201 K(o=-0.2,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 2.28 (180deg=1.89) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.352 K(o=-0.35,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 45:sc= 0.417 USER MOD Single : A 42 GLN : amide:sc= -0.0828 K(o=-0.083,f=-0.96) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 12:sc= 1.21 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 52 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.814) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.14) USER MOD Single : A 63 THR OG1 : rot 80:sc= 0.798 USER MOD Single : A 65 MET CE :methyl 174:sc= 0 (180deg=-0.0814) USER MOD Single : A 67 TYR OH : rot -107:sc= 1.28 USER MOD Single : A 70 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.25) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 7:sc= 1.28 USER MOD Single : A 78 THR OG1 : rot 86:sc= 1.03 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -175:sc= -0.0018 (180deg=-0.0838) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 1.03 (180deg=-0.00418) USER MOD Single : A 100 LYS NZ :NH3+ 148:sc= 1.27 (180deg=0.639) USER MOD Single : A 102 THR OG1 : rot -77:sc= 1.15 USER MOD Single : A 103 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 110 HEC O2A : rot 130:sc= 0 USER MOD Single : A 110 HEC O2D : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.352 2.673 6.367 1.00 10.00 N ATOM 2 CA GLY A 1 14.544 2.826 4.921 1.00 10.00 C ATOM 3 C GLY A 1 14.486 4.308 4.577 1.00 10.00 C ATOM 4 O GLY A 1 14.048 5.089 5.422 1.00 10.00 O ATOM 0 H1 GLY A 1 15.213 2.273 6.791 1.00 10.00 H new ATOM 0 H2 GLY A 1 14.156 3.602 6.791 1.00 10.00 H new ATOM 0 H3 GLY A 1 13.550 2.035 6.545 1.00 10.00 H new ATOM 0 HA2 GLY A 1 15.503 2.405 4.620 1.00 10.00 H new ATOM 0 HA3 GLY A 1 13.772 2.281 4.377 1.00 10.00 H new ATOM 10 N ASP A 2 14.949 4.685 3.388 1.00 10.00 N ATOM 11 CA ASP A 2 15.030 6.065 2.935 1.00 10.00 C ATOM 12 C ASP A 2 13.725 6.503 2.270 1.00 10.00 C ATOM 13 O ASP A 2 13.327 5.941 1.250 1.00 10.00 O ATOM 14 CB ASP A 2 16.173 6.236 1.929 1.00 10.00 C ATOM 15 CG ASP A 2 16.642 7.677 1.889 1.00 10.00 C ATOM 16 OD1 ASP A 2 15.742 8.544 1.837 1.00 10.00 O ATOM 17 OD2 ASP A 2 17.872 7.877 1.885 1.00 10.00 O ATOM 0 H ASP A 2 15.287 4.017 2.695 1.00 10.00 H new ATOM 0 HA ASP A 2 15.214 6.684 3.813 1.00 10.00 H new ATOM 0 HB2 ASP A 2 17.004 5.586 2.202 1.00 10.00 H new ATOM 0 HB3 ASP A 2 15.840 5.929 0.937 1.00 10.00 H new ATOM 22 N VAL A 3 13.077 7.540 2.798 1.00 10.00 N ATOM 23 CA VAL A 3 11.951 8.163 2.132 1.00 10.00 C ATOM 24 C VAL A 3 12.304 8.664 0.724 1.00 10.00 C ATOM 25 O VAL A 3 11.440 8.618 -0.145 1.00 10.00 O ATOM 26 CB VAL A 3 11.270 9.220 3.027 1.00 10.00 C ATOM 27 CG1 VAL A 3 12.219 9.983 3.937 1.00 10.00 C ATOM 28 CG2 VAL A 3 10.455 10.259 2.240 1.00 10.00 C ATOM 0 H VAL A 3 13.321 7.964 3.693 1.00 10.00 H new ATOM 0 HA VAL A 3 11.199 7.391 1.969 1.00 10.00 H new ATOM 0 HB VAL A 3 10.606 8.609 3.639 1.00 10.00 H new ATOM 0 HG11 VAL A 3 11.655 10.704 4.529 1.00 10.00 H new ATOM 0 HG12 VAL A 3 12.726 9.284 4.603 1.00 10.00 H new ATOM 0 HG13 VAL A 3 12.958 10.509 3.333 1.00 10.00 H new ATOM 0 HG21 VAL A 3 10.005 10.970 2.933 1.00 10.00 H new ATOM 0 HG22 VAL A 3 11.111 10.790 1.551 1.00 10.00 H new ATOM 0 HG23 VAL A 3 9.670 9.755 1.677 1.00 10.00 H new ATOM 38 N GLU A 4 13.525 9.123 0.435 1.00 10.00 N ATOM 39 CA GLU A 4 13.822 9.572 -0.923 1.00 10.00 C ATOM 40 C GLU A 4 13.803 8.407 -1.906 1.00 10.00 C ATOM 41 O GLU A 4 13.128 8.468 -2.939 1.00 10.00 O ATOM 42 CB GLU A 4 15.140 10.350 -0.997 1.00 10.00 C ATOM 43 CG GLU A 4 15.003 11.754 -0.393 1.00 10.00 C ATOM 44 CD GLU A 4 16.150 12.662 -0.822 1.00 10.00 C ATOM 45 OE1 GLU A 4 16.389 12.722 -2.049 1.00 10.00 O ATOM 46 OE2 GLU A 4 16.743 13.299 0.073 1.00 10.00 O ATOM 0 H GLU A 4 14.297 9.192 1.098 1.00 10.00 H new ATOM 0 HA GLU A 4 13.031 10.264 -1.213 1.00 10.00 H new ATOM 0 HB2 GLU A 4 15.918 9.800 -0.467 1.00 10.00 H new ATOM 0 HB3 GLU A 4 15.458 10.430 -2.037 1.00 10.00 H new ATOM 0 HG2 GLU A 4 14.055 12.193 -0.703 1.00 10.00 H new ATOM 0 HG3 GLU A 4 14.981 11.683 0.694 1.00 10.00 H new ATOM 53 N LYS A 5 14.507 7.324 -1.567 1.00 10.00 N ATOM 54 CA LYS A 5 14.378 6.080 -2.312 1.00 10.00 C ATOM 55 C LYS A 5 12.903 5.706 -2.411 1.00 10.00 C ATOM 56 O LYS A 5 12.398 5.383 -3.486 1.00 10.00 O ATOM 57 CB LYS A 5 15.203 4.958 -1.654 1.00 10.00 C ATOM 58 CG LYS A 5 16.705 5.109 -1.916 1.00 10.00 C ATOM 59 CD LYS A 5 17.076 4.444 -3.248 1.00 10.00 C ATOM 60 CE LYS A 5 18.564 4.647 -3.558 1.00 10.00 C ATOM 61 NZ LYS A 5 18.994 3.852 -4.727 1.00 10.00 N ATOM 0 H LYS A 5 15.165 7.288 -0.788 1.00 10.00 H new ATOM 0 HA LYS A 5 14.773 6.217 -3.319 1.00 10.00 H new ATOM 0 HB2 LYS A 5 15.022 4.960 -0.579 1.00 10.00 H new ATOM 0 HB3 LYS A 5 14.866 3.993 -2.032 1.00 10.00 H new ATOM 0 HG2 LYS A 5 16.974 6.165 -1.940 1.00 10.00 H new ATOM 0 HG3 LYS A 5 17.272 4.655 -1.103 1.00 10.00 H new ATOM 0 HD2 LYS A 5 16.851 3.378 -3.204 1.00 10.00 H new ATOM 0 HD3 LYS A 5 16.471 4.865 -4.051 1.00 10.00 H new ATOM 0 HE2 LYS A 5 18.755 5.703 -3.747 1.00 10.00 H new ATOM 0 HE3 LYS A 5 19.158 4.366 -2.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 20.005 4.016 -4.905 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 18.835 2.842 -4.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 18.445 4.138 -5.562 1.00 10.00 H new ATOM 75 N GLY A 6 12.206 5.813 -1.286 1.00 10.00 N ATOM 76 CA GLY A 6 10.822 5.416 -1.180 1.00 10.00 C ATOM 77 C GLY A 6 9.942 6.182 -2.157 1.00 10.00 C ATOM 78 O GLY A 6 9.080 5.604 -2.816 1.00 10.00 O ATOM 0 H GLY A 6 12.596 6.182 -0.419 1.00 10.00 H new ATOM 0 HA2 GLY A 6 10.734 4.347 -1.372 1.00 10.00 H new ATOM 0 HA3 GLY A 6 10.471 5.587 -0.162 1.00 10.00 H new ATOM 82 N LYS A 7 10.158 7.490 -2.272 1.00 10.00 N ATOM 83 CA LYS A 7 9.379 8.351 -3.126 1.00 10.00 C ATOM 84 C LYS A 7 9.593 7.955 -4.583 1.00 10.00 C ATOM 85 O LYS A 7 8.628 7.802 -5.327 1.00 10.00 O ATOM 86 CB LYS A 7 9.807 9.782 -2.818 1.00 10.00 C ATOM 87 CG LYS A 7 8.783 10.827 -3.255 1.00 10.00 C ATOM 88 CD LYS A 7 9.194 12.125 -2.559 1.00 10.00 C ATOM 89 CE LYS A 7 8.181 13.243 -2.844 1.00 10.00 C ATOM 90 NZ LYS A 7 8.568 14.520 -2.207 1.00 10.00 N ATOM 0 H LYS A 7 10.894 7.979 -1.762 1.00 10.00 H new ATOM 0 HA LYS A 7 8.308 8.260 -2.947 1.00 10.00 H new ATOM 0 HB2 LYS A 7 9.980 9.879 -1.746 1.00 10.00 H new ATOM 0 HB3 LYS A 7 10.756 9.984 -3.314 1.00 10.00 H new ATOM 0 HG2 LYS A 7 8.783 10.947 -4.338 1.00 10.00 H new ATOM 0 HG3 LYS A 7 7.774 10.531 -2.967 1.00 10.00 H new ATOM 0 HD2 LYS A 7 9.266 11.959 -1.484 1.00 10.00 H new ATOM 0 HD3 LYS A 7 10.183 12.429 -2.902 1.00 10.00 H new ATOM 0 HE2 LYS A 7 8.094 13.387 -3.921 1.00 10.00 H new ATOM 0 HE3 LYS A 7 7.198 12.941 -2.483 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 7.857 15.246 -2.425 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 8.626 14.391 -1.177 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 9.494 14.822 -2.570 1.00 10.00 H new ATOM 104 N LYS A 8 10.851 7.746 -4.985 1.00 10.00 N ATOM 105 CA LYS A 8 11.151 7.273 -6.329 1.00 10.00 C ATOM 106 C LYS A 8 10.448 5.942 -6.591 1.00 10.00 C ATOM 107 O LYS A 8 9.781 5.786 -7.612 1.00 10.00 O ATOM 108 CB LYS A 8 12.667 7.169 -6.553 1.00 10.00 C ATOM 109 CG LYS A 8 13.241 8.535 -6.947 1.00 10.00 C ATOM 110 CD LYS A 8 14.738 8.435 -7.272 1.00 10.00 C ATOM 111 CE LYS A 8 15.209 9.724 -7.965 1.00 10.00 C ATOM 112 NZ LYS A 8 16.656 9.710 -8.264 1.00 10.00 N ATOM 0 H LYS A 8 11.671 7.898 -4.397 1.00 10.00 H new ATOM 0 HA LYS A 8 10.771 8.000 -7.046 1.00 10.00 H new ATOM 0 HB2 LYS A 8 13.152 6.811 -5.645 1.00 10.00 H new ATOM 0 HB3 LYS A 8 12.877 6.439 -7.335 1.00 10.00 H new ATOM 0 HG2 LYS A 8 12.703 8.922 -7.812 1.00 10.00 H new ATOM 0 HG3 LYS A 8 13.089 9.245 -6.134 1.00 10.00 H new ATOM 0 HD2 LYS A 8 15.308 8.274 -6.357 1.00 10.00 H new ATOM 0 HD3 LYS A 8 14.923 7.576 -7.917 1.00 10.00 H new ATOM 0 HE2 LYS A 8 14.651 9.859 -8.892 1.00 10.00 H new ATOM 0 HE3 LYS A 8 14.981 10.579 -7.328 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 16.923 10.600 -8.730 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 17.192 9.609 -7.379 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 16.873 8.911 -8.894 1.00 10.00 H new ATOM 126 N ILE A 9 10.570 4.989 -5.667 1.00 10.00 N ATOM 127 CA ILE A 9 9.922 3.693 -5.804 1.00 10.00 C ATOM 128 C ILE A 9 8.406 3.880 -5.942 1.00 10.00 C ATOM 129 O ILE A 9 7.790 3.255 -6.802 1.00 10.00 O ATOM 130 CB ILE A 9 10.321 2.770 -4.642 1.00 10.00 C ATOM 131 CG1 ILE A 9 11.839 2.501 -4.665 1.00 10.00 C ATOM 132 CG2 ILE A 9 9.564 1.431 -4.688 1.00 10.00 C ATOM 133 CD1 ILE A 9 12.316 2.043 -3.287 1.00 10.00 C ATOM 0 H ILE A 9 11.116 5.095 -4.812 1.00 10.00 H new ATOM 0 HA ILE A 9 10.262 3.200 -6.715 1.00 10.00 H new ATOM 0 HB ILE A 9 10.052 3.282 -3.718 1.00 10.00 H new ATOM 0 HG12 ILE A 9 12.069 1.739 -5.409 1.00 10.00 H new ATOM 0 HG13 ILE A 9 12.371 3.405 -4.960 1.00 10.00 H new ATOM 0 HG21 ILE A 9 9.875 0.808 -3.849 1.00 10.00 H new ATOM 0 HG22 ILE A 9 8.492 1.617 -4.624 1.00 10.00 H new ATOM 0 HG23 ILE A 9 9.788 0.918 -5.623 1.00 10.00 H new ATOM 0 HD11 ILE A 9 13.389 1.856 -3.317 1.00 10.00 H new ATOM 0 HD12 ILE A 9 12.103 2.819 -2.552 1.00 10.00 H new ATOM 0 HD13 ILE A 9 11.796 1.126 -3.008 1.00 10.00 H new ATOM 145 N PHE A 10 7.801 4.753 -5.134 1.00 10.00 N ATOM 146 CA PHE A 10 6.369 5.025 -5.208 1.00 10.00 C ATOM 147 C PHE A 10 5.993 5.575 -6.580 1.00 10.00 C ATOM 148 O PHE A 10 5.067 5.078 -7.220 1.00 10.00 O ATOM 149 CB PHE A 10 5.946 5.966 -4.082 1.00 10.00 C ATOM 150 CG PHE A 10 4.451 6.214 -4.008 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.645 5.370 -3.225 1.00 10.00 C ATOM 152 CD2 PHE A 10 3.883 7.352 -4.609 1.00 10.00 C ATOM 153 CE1 PHE A 10 2.264 5.607 -3.115 1.00 10.00 C ATOM 154 CE2 PHE A 10 2.502 7.594 -4.496 1.00 10.00 C ATOM 155 CZ PHE A 10 1.688 6.709 -3.768 1.00 10.00 C ATOM 0 H PHE A 10 8.289 5.287 -4.415 1.00 10.00 H new ATOM 0 HA PHE A 10 5.827 4.089 -5.076 1.00 10.00 H new ATOM 0 HB2 PHE A 10 6.282 5.551 -3.132 1.00 10.00 H new ATOM 0 HB3 PHE A 10 6.456 6.921 -4.211 1.00 10.00 H new ATOM 0 HD1 PHE A 10 4.089 4.534 -2.705 1.00 10.00 H new ATOM 0 HD2 PHE A 10 4.508 8.041 -5.158 1.00 10.00 H new ATOM 0 HE1 PHE A 10 1.646 4.942 -2.529 1.00 10.00 H new ATOM 0 HE2 PHE A 10 2.066 8.461 -4.969 1.00 10.00 H new ATOM 0 HZ PHE A 10 0.623 6.876 -3.711 1.00 10.00 H new ATOM 165 N VAL A 11 6.713 6.596 -7.045 1.00 10.00 N ATOM 166 CA VAL A 11 6.490 7.173 -8.359 1.00 10.00 C ATOM 167 C VAL A 11 6.587 6.085 -9.434 1.00 10.00 C ATOM 168 O VAL A 11 5.708 5.984 -10.287 1.00 10.00 O ATOM 169 CB VAL A 11 7.457 8.346 -8.576 1.00 10.00 C ATOM 170 CG1 VAL A 11 7.425 8.856 -10.019 1.00 10.00 C ATOM 171 CG2 VAL A 11 7.092 9.512 -7.644 1.00 10.00 C ATOM 0 H VAL A 11 7.464 7.041 -6.518 1.00 10.00 H new ATOM 0 HA VAL A 11 5.482 7.582 -8.433 1.00 10.00 H new ATOM 0 HB VAL A 11 8.458 7.976 -8.356 1.00 10.00 H new ATOM 0 HG11 VAL A 11 8.124 9.685 -10.127 1.00 10.00 H new ATOM 0 HG12 VAL A 11 7.710 8.051 -10.696 1.00 10.00 H new ATOM 0 HG13 VAL A 11 6.418 9.196 -10.263 1.00 10.00 H new ATOM 0 HG21 VAL A 11 7.784 10.338 -7.807 1.00 10.00 H new ATOM 0 HG22 VAL A 11 6.076 9.843 -7.857 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.157 9.183 -6.607 1.00 10.00 H new ATOM 181 N GLN A 12 7.641 5.264 -9.394 1.00 10.00 N ATOM 182 CA GLN A 12 7.858 4.245 -10.409 1.00 10.00 C ATOM 183 C GLN A 12 6.865 3.080 -10.326 1.00 10.00 C ATOM 184 O GLN A 12 6.503 2.549 -11.374 1.00 10.00 O ATOM 185 CB GLN A 12 9.312 3.754 -10.394 1.00 10.00 C ATOM 186 CG GLN A 12 10.284 4.857 -10.840 1.00 10.00 C ATOM 187 CD GLN A 12 11.628 4.280 -11.275 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.165 3.381 -10.635 1.00 10.00 O ATOM 189 NE2 GLN A 12 12.182 4.782 -12.376 1.00 10.00 N ATOM 0 H GLN A 12 8.355 5.290 -8.666 1.00 10.00 H new ATOM 0 HA GLN A 12 7.668 4.723 -11.370 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.574 3.421 -9.390 1.00 10.00 H new ATOM 0 HB3 GLN A 12 9.412 2.891 -11.052 1.00 10.00 H new ATOM 0 HG2 GLN A 12 9.844 5.418 -11.665 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.437 5.560 -10.022 1.00 10.00 H new ATOM 0 HE21 GLN A 12 11.713 5.529 -12.888 1.00 10.00 H new ATOM 0 HE22 GLN A 12 13.076 4.420 -12.708 1.00 10.00 H new ATOM 198 N LYS A 13 6.450 2.638 -9.129 1.00 10.00 N ATOM 199 CA LYS A 13 5.616 1.441 -9.008 1.00 10.00 C ATOM 200 C LYS A 13 4.515 1.453 -7.936 1.00 10.00 C ATOM 201 O LYS A 13 4.103 0.370 -7.538 1.00 10.00 O ATOM 202 CB LYS A 13 6.466 0.150 -8.987 1.00 10.00 C ATOM 203 CG LYS A 13 7.498 -0.037 -7.867 1.00 10.00 C ATOM 204 CD LYS A 13 8.935 0.259 -8.330 1.00 10.00 C ATOM 205 CE LYS A 13 9.968 -0.399 -7.397 1.00 10.00 C ATOM 206 NZ LYS A 13 10.415 -1.738 -7.827 1.00 10.00 N ATOM 0 H LYS A 13 6.677 3.088 -8.242 1.00 10.00 H new ATOM 0 HA LYS A 13 5.028 1.455 -9.925 1.00 10.00 H new ATOM 0 HB2 LYS A 13 5.780 -0.696 -8.948 1.00 10.00 H new ATOM 0 HB3 LYS A 13 6.996 0.088 -9.938 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.247 0.619 -7.033 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.444 -1.060 -7.495 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.075 -0.107 -9.347 1.00 10.00 H new ATOM 0 HD3 LYS A 13 9.097 1.337 -8.354 1.00 10.00 H new ATOM 0 HE2 LYS A 13 10.838 0.254 -7.321 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.539 -0.476 -6.398 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 11.225 -2.037 -7.247 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.637 -2.418 -7.711 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 10.699 -1.705 -8.827 1.00 10.00 H new ATOM 220 N CYS A 14 3.954 2.607 -7.548 1.00 10.00 N ATOM 221 CA CYS A 14 2.660 2.672 -6.841 1.00 10.00 C ATOM 222 C CYS A 14 1.749 3.753 -7.445 1.00 10.00 C ATOM 223 O CYS A 14 0.577 3.505 -7.731 1.00 10.00 O ATOM 224 CB CYS A 14 2.812 2.965 -5.365 1.00 10.00 C ATOM 225 SG CYS A 14 3.905 1.888 -4.383 1.00 10.00 S ATOM 0 H CYS A 14 4.379 3.519 -7.713 1.00 10.00 H new ATOM 0 HA CYS A 14 2.215 1.684 -6.961 1.00 10.00 H new ATOM 0 HB2 CYS A 14 3.174 3.988 -5.264 1.00 10.00 H new ATOM 0 HB3 CYS A 14 1.820 2.932 -4.915 1.00 10.00 H new ATOM 230 N ALA A 15 2.282 4.969 -7.620 1.00 10.00 N ATOM 231 CA ALA A 15 1.546 6.204 -7.899 1.00 10.00 C ATOM 232 C ALA A 15 0.574 6.133 -9.082 1.00 10.00 C ATOM 233 O ALA A 15 -0.305 6.986 -9.211 1.00 10.00 O ATOM 234 CB ALA A 15 2.552 7.331 -8.146 1.00 10.00 C ATOM 0 H ALA A 15 3.289 5.123 -7.568 1.00 10.00 H new ATOM 0 HA ALA A 15 0.925 6.385 -7.022 1.00 10.00 H new ATOM 0 HB1 ALA A 15 2.017 8.257 -8.355 1.00 10.00 H new ATOM 0 HB2 ALA A 15 3.174 7.464 -7.261 1.00 10.00 H new ATOM 0 HB3 ALA A 15 3.182 7.076 -8.998 1.00 10.00 H new ATOM 240 N GLN A 16 0.733 5.145 -9.960 1.00 10.00 N ATOM 241 CA GLN A 16 -0.097 4.941 -11.132 1.00 10.00 C ATOM 242 C GLN A 16 -1.576 4.959 -10.752 1.00 10.00 C ATOM 243 O GLN A 16 -2.373 5.688 -11.339 1.00 10.00 O ATOM 244 CB GLN A 16 0.295 3.589 -11.754 1.00 10.00 C ATOM 245 CG GLN A 16 -0.325 3.369 -13.135 1.00 10.00 C ATOM 246 CD GLN A 16 -0.090 1.947 -13.631 1.00 10.00 C ATOM 247 OE1 GLN A 16 0.975 1.632 -14.149 1.00 10.00 O ATOM 248 NE2 GLN A 16 -1.081 1.073 -13.483 1.00 10.00 N ATOM 0 H GLN A 16 1.469 4.445 -9.867 1.00 10.00 H new ATOM 0 HA GLN A 16 0.059 5.743 -11.853 1.00 10.00 H new ATOM 0 HB2 GLN A 16 1.381 3.533 -11.835 1.00 10.00 H new ATOM 0 HB3 GLN A 16 -0.017 2.784 -11.088 1.00 10.00 H new ATOM 0 HG2 GLN A 16 -1.396 3.568 -13.090 1.00 10.00 H new ATOM 0 HG3 GLN A 16 0.102 4.078 -13.844 1.00 10.00 H new ATOM 0 HE21 GLN A 16 -1.957 1.364 -13.048 1.00 10.00 H new ATOM 0 HE22 GLN A 16 -0.966 0.112 -13.804 1.00 10.00 H new ATOM 257 N CYS A 17 -1.925 4.146 -9.759 1.00 10.00 N ATOM 258 CA CYS A 17 -3.295 3.776 -9.428 1.00 10.00 C ATOM 259 C CYS A 17 -3.605 4.075 -7.958 1.00 10.00 C ATOM 260 O CYS A 17 -4.665 3.687 -7.483 1.00 10.00 O ATOM 261 CB CYS A 17 -3.522 2.332 -9.788 1.00 10.00 C ATOM 262 SG CYS A 17 -2.093 1.341 -9.331 1.00 10.00 S ATOM 0 H CYS A 17 -1.237 3.713 -9.143 1.00 10.00 H new ATOM 0 HA CYS A 17 -3.990 4.380 -10.012 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -4.410 1.959 -9.278 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -3.708 2.242 -10.858 1.00 10.00 H new ATOM 267 N HIS A 18 -2.739 4.805 -7.249 1.00 10.00 N ATOM 268 CA HIS A 18 -3.001 5.266 -5.887 1.00 10.00 C ATOM 269 C HIS A 18 -2.624 6.741 -5.747 1.00 10.00 C ATOM 270 O HIS A 18 -2.081 7.353 -6.672 1.00 10.00 O ATOM 271 CB HIS A 18 -2.231 4.389 -4.885 1.00 10.00 C ATOM 272 CG HIS A 18 -2.819 3.016 -4.639 1.00 10.00 C ATOM 273 ND1 HIS A 18 -3.851 2.736 -3.768 1.00 10.00 N ATOM 274 CD2 HIS A 18 -2.202 1.827 -4.926 1.00 10.00 C ATOM 275 CE1 HIS A 18 -3.835 1.412 -3.525 1.00 10.00 C ATOM 276 NE2 HIS A 18 -2.854 0.815 -4.214 1.00 10.00 N ATOM 0 H HIS A 18 -1.830 5.094 -7.609 1.00 10.00 H new ATOM 0 HA HIS A 18 -4.065 5.175 -5.670 1.00 10.00 H new ATOM 0 HB2 HIS A 18 -1.209 4.269 -5.244 1.00 10.00 H new ATOM 0 HB3 HIS A 18 -2.175 4.918 -3.933 1.00 10.00 H new ATOM 0 HD1 HIS A 18 -4.509 3.411 -3.378 1.00 10.00 H new ATOM 0 HD2 HIS A 18 -1.359 1.694 -5.587 1.00 10.00 H new ATOM 0 HE1 HIS A 18 -4.520 0.901 -2.865 1.00 10.00 H new ATOM 284 N THR A 19 -2.948 7.308 -4.586 1.00 10.00 N ATOM 285 CA THR A 19 -2.654 8.660 -4.146 1.00 10.00 C ATOM 286 C THR A 19 -2.491 8.576 -2.625 1.00 10.00 C ATOM 287 O THR A 19 -3.084 7.700 -1.992 1.00 10.00 O ATOM 288 CB THR A 19 -3.803 9.610 -4.535 1.00 10.00 C ATOM 289 OG1 THR A 19 -5.049 9.019 -4.242 1.00 10.00 O ATOM 290 CG2 THR A 19 -3.788 9.925 -6.032 1.00 10.00 C ATOM 0 H THR A 19 -3.464 6.788 -3.876 1.00 10.00 H new ATOM 0 HA THR A 19 -1.753 9.056 -4.614 1.00 10.00 H new ATOM 0 HB THR A 19 -3.661 10.527 -3.963 1.00 10.00 H new ATOM 0 HG1 THR A 19 -5.762 9.680 -4.364 1.00 10.00 H new ATOM 0 HG21 THR A 19 -4.612 10.597 -6.271 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.843 10.401 -6.294 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.898 9.001 -6.599 1.00 10.00 H new ATOM 298 N VAL A 20 -1.652 9.447 -2.061 1.00 10.00 N ATOM 299 CA VAL A 20 -1.476 9.645 -0.619 1.00 10.00 C ATOM 300 C VAL A 20 -1.901 11.063 -0.194 1.00 10.00 C ATOM 301 O VAL A 20 -2.126 11.312 0.988 1.00 10.00 O ATOM 302 CB VAL A 20 -0.012 9.339 -0.212 1.00 10.00 C ATOM 303 CG1 VAL A 20 0.310 7.848 -0.326 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.006 10.093 -1.071 1.00 10.00 C ATOM 0 H VAL A 20 -1.053 10.058 -2.617 1.00 10.00 H new ATOM 0 HA VAL A 20 -2.126 8.947 -0.091 1.00 10.00 H new ATOM 0 HB VAL A 20 0.067 9.667 0.824 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.345 7.676 -0.032 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -0.352 7.282 0.329 1.00 10.00 H new ATOM 0 HG13 VAL A 20 0.167 7.523 -1.356 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.015 9.842 -0.744 1.00 10.00 H new ATOM 0 HG22 VAL A 20 0.882 9.808 -2.116 1.00 10.00 H new ATOM 0 HG23 VAL A 20 0.847 11.166 -0.966 1.00 10.00 H new ATOM 314 N GLU A 21 -2.005 11.979 -1.161 1.00 10.00 N ATOM 315 CA GLU A 21 -2.317 13.390 -1.011 1.00 10.00 C ATOM 316 C GLU A 21 -3.824 13.583 -0.822 1.00 10.00 C ATOM 317 O GLU A 21 -4.620 12.776 -1.304 1.00 10.00 O ATOM 318 CB GLU A 21 -1.837 14.119 -2.285 1.00 10.00 C ATOM 319 CG GLU A 21 -2.118 13.311 -3.571 1.00 10.00 C ATOM 320 CD GLU A 21 -2.039 14.133 -4.849 1.00 10.00 C ATOM 321 OE1 GLU A 21 -1.294 15.135 -4.845 1.00 10.00 O ATOM 322 OE2 GLU A 21 -2.701 13.703 -5.819 1.00 10.00 O ATOM 0 H GLU A 21 -1.861 11.728 -2.139 1.00 10.00 H new ATOM 0 HA GLU A 21 -1.816 13.797 -0.133 1.00 10.00 H new ATOM 0 HB2 GLU A 21 -2.332 15.088 -2.353 1.00 10.00 H new ATOM 0 HB3 GLU A 21 -0.767 14.312 -2.208 1.00 10.00 H new ATOM 0 HG2 GLU A 21 -1.404 12.490 -3.635 1.00 10.00 H new ATOM 0 HG3 GLU A 21 -3.110 12.866 -3.498 1.00 10.00 H new ATOM 329 N LYS A 22 -4.238 14.680 -0.181 1.00 10.00 N ATOM 330 CA LYS A 22 -5.619 15.129 -0.300 1.00 10.00 C ATOM 331 C LYS A 22 -5.895 15.523 -1.754 1.00 10.00 C ATOM 332 O LYS A 22 -4.978 15.877 -2.491 1.00 10.00 O ATOM 333 CB LYS A 22 -5.906 16.290 0.651 1.00 10.00 C ATOM 334 CG LYS A 22 -5.861 15.817 2.109 1.00 10.00 C ATOM 335 CD LYS A 22 -6.641 16.819 2.961 1.00 10.00 C ATOM 336 CE LYS A 22 -6.503 16.497 4.455 1.00 10.00 C ATOM 337 NZ LYS A 22 -7.325 17.390 5.295 1.00 10.00 N ATOM 0 H LYS A 22 -3.646 15.261 0.413 1.00 10.00 H new ATOM 0 HA LYS A 22 -6.286 14.314 -0.018 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -5.174 17.083 0.497 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -6.886 16.714 0.431 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -6.296 14.822 2.199 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -4.829 15.747 2.454 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -6.276 17.828 2.768 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -7.693 16.801 2.677 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -6.798 15.462 4.631 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -5.457 16.585 4.749 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -7.201 17.136 6.296 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -7.028 18.376 5.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -8.326 17.288 5.034 1.00 10.00 H new ATOM 351 N GLY A 23 -7.150 15.427 -2.200 1.00 10.00 N ATOM 352 CA GLY A 23 -7.524 15.811 -3.556 1.00 10.00 C ATOM 353 C GLY A 23 -7.213 14.715 -4.575 1.00 10.00 C ATOM 354 O GLY A 23 -7.987 14.516 -5.510 1.00 10.00 O ATOM 0 H GLY A 23 -7.926 15.084 -1.634 1.00 10.00 H new ATOM 0 HA2 GLY A 23 -8.589 16.040 -3.586 1.00 10.00 H new ATOM 0 HA3 GLY A 23 -6.994 16.722 -3.833 1.00 10.00 H new ATOM 358 N GLY A 24 -6.097 14.001 -4.404 1.00 10.00 N ATOM 359 CA GLY A 24 -5.684 12.935 -5.297 1.00 10.00 C ATOM 360 C GLY A 24 -6.775 11.891 -5.507 1.00 10.00 C ATOM 361 O GLY A 24 -7.038 11.050 -4.643 1.00 10.00 O ATOM 0 H GLY A 24 -5.452 14.155 -3.629 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -5.404 13.361 -6.260 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -4.796 12.450 -4.892 1.00 10.00 H new ATOM 365 N LYS A 25 -7.371 11.964 -6.692 1.00 10.00 N ATOM 366 CA LYS A 25 -8.505 11.174 -7.143 1.00 10.00 C ATOM 367 C LYS A 25 -8.306 9.678 -6.880 1.00 10.00 C ATOM 368 O LYS A 25 -7.235 9.137 -7.150 1.00 10.00 O ATOM 369 CB LYS A 25 -8.777 11.471 -8.632 1.00 10.00 C ATOM 370 CG LYS A 25 -7.600 11.099 -9.554 1.00 10.00 C ATOM 371 CD LYS A 25 -7.671 11.787 -10.927 1.00 10.00 C ATOM 372 CE LYS A 25 -8.698 11.130 -11.864 1.00 10.00 C ATOM 373 NZ LYS A 25 -8.782 11.826 -13.167 1.00 10.00 N ATOM 0 H LYS A 25 -7.053 12.619 -7.407 1.00 10.00 H new ATOM 0 HA LYS A 25 -9.383 11.462 -6.565 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -9.664 10.923 -8.948 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -8.999 12.532 -8.749 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -6.664 11.370 -9.066 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -7.584 10.018 -9.696 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -7.929 12.837 -10.790 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -6.687 11.759 -11.395 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -8.426 10.087 -12.027 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -9.678 11.133 -11.387 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -9.485 11.352 -13.769 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -9.067 12.815 -13.015 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -7.853 11.801 -13.634 1.00 10.00 H new ATOM 387 N HIS A 26 -9.364 9.013 -6.403 1.00 10.00 N ATOM 388 CA HIS A 26 -9.487 7.565 -6.445 1.00 10.00 C ATOM 389 C HIS A 26 -9.238 7.121 -7.890 1.00 10.00 C ATOM 390 O HIS A 26 -9.912 7.593 -8.805 1.00 10.00 O ATOM 391 CB HIS A 26 -10.896 7.150 -5.978 1.00 10.00 C ATOM 392 CG HIS A 26 -10.955 6.539 -4.599 1.00 10.00 C ATOM 393 ND1 HIS A 26 -10.742 7.171 -3.393 1.00 10.00 N ATOM 394 CD2 HIS A 26 -11.322 5.250 -4.327 1.00 10.00 C ATOM 395 CE1 HIS A 26 -10.965 6.268 -2.419 1.00 10.00 C ATOM 396 NE2 HIS A 26 -11.306 5.077 -2.940 1.00 10.00 N ATOM 0 H HIS A 26 -10.164 9.477 -5.973 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.763 7.091 -5.782 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -11.543 8.027 -5.999 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -11.304 6.436 -6.693 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -10.466 8.144 -3.262 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -11.579 4.497 -5.057 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -10.881 6.473 -1.362 1.00 10.00 H new ATOM 404 N LYS A 27 -8.245 6.258 -8.091 1.00 10.00 N ATOM 405 CA LYS A 27 -7.917 5.655 -9.368 1.00 10.00 C ATOM 406 C LYS A 27 -8.361 4.186 -9.289 1.00 10.00 C ATOM 407 O LYS A 27 -9.344 3.878 -8.617 1.00 10.00 O ATOM 408 CB LYS A 27 -6.405 5.806 -9.557 1.00 10.00 C ATOM 409 CG LYS A 27 -5.912 7.248 -9.743 1.00 10.00 C ATOM 410 CD LYS A 27 -4.481 7.327 -9.197 1.00 10.00 C ATOM 411 CE LYS A 27 -3.722 8.593 -9.601 1.00 10.00 C ATOM 412 NZ LYS A 27 -2.355 8.593 -9.034 1.00 10.00 N ATOM 0 H LYS A 27 -7.628 5.952 -7.338 1.00 10.00 H new ATOM 0 HA LYS A 27 -8.414 6.120 -10.219 1.00 10.00 H new ATOM 0 HB2 LYS A 27 -5.902 5.375 -8.691 1.00 10.00 H new ATOM 0 HB3 LYS A 27 -6.103 5.220 -10.425 1.00 10.00 H new ATOM 0 HG2 LYS A 27 -5.935 7.527 -10.796 1.00 10.00 H new ATOM 0 HG3 LYS A 27 -6.562 7.945 -9.214 1.00 10.00 H new ATOM 0 HD2 LYS A 27 -4.516 7.270 -8.109 1.00 10.00 H new ATOM 0 HD3 LYS A 27 -3.924 6.457 -9.544 1.00 10.00 H new ATOM 0 HE2 LYS A 27 -3.669 8.659 -10.688 1.00 10.00 H new ATOM 0 HE3 LYS A 27 -4.264 9.473 -9.254 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 -1.890 9.498 -9.250 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 -2.407 8.468 -8.003 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 -1.807 7.813 -9.450 1.00 10.00 H new ATOM 426 N THR A 28 -7.640 3.266 -9.940 1.00 10.00 N ATOM 427 CA THR A 28 -7.895 1.843 -9.798 1.00 10.00 C ATOM 428 C THR A 28 -7.713 1.387 -8.350 1.00 10.00 C ATOM 429 O THR A 28 -8.483 0.560 -7.879 1.00 10.00 O ATOM 430 CB THR A 28 -7.012 1.056 -10.772 1.00 10.00 C ATOM 431 OG1 THR A 28 -7.204 1.582 -12.069 1.00 10.00 O ATOM 432 CG2 THR A 28 -7.302 -0.451 -10.743 1.00 10.00 C ATOM 0 H THR A 28 -6.872 3.492 -10.572 1.00 10.00 H new ATOM 0 HA THR A 28 -8.936 1.643 -10.053 1.00 10.00 H new ATOM 0 HB THR A 28 -5.971 1.167 -10.468 1.00 10.00 H new ATOM 0 HG1 THR A 28 -6.645 1.091 -12.707 1.00 10.00 H new ATOM 0 HG21 THR A 28 -6.649 -0.961 -11.451 1.00 10.00 H new ATOM 0 HG22 THR A 28 -7.121 -0.837 -9.740 1.00 10.00 H new ATOM 0 HG23 THR A 28 -8.342 -0.627 -11.017 1.00 10.00 H new ATOM 440 N GLY A 29 -6.706 1.910 -7.649 1.00 10.00 N ATOM 441 CA GLY A 29 -6.545 1.716 -6.222 1.00 10.00 C ATOM 442 C GLY A 29 -7.127 2.928 -5.490 1.00 10.00 C ATOM 443 O GLY A 29 -7.229 4.021 -6.059 1.00 10.00 O ATOM 0 H GLY A 29 -5.975 2.485 -8.068 1.00 10.00 H new ATOM 0 HA2 GLY A 29 -7.052 0.805 -5.906 1.00 10.00 H new ATOM 0 HA3 GLY A 29 -5.490 1.596 -5.974 1.00 10.00 H new ATOM 447 N PRO A 30 -7.540 2.752 -4.228 1.00 10.00 N ATOM 448 CA PRO A 30 -8.112 3.826 -3.442 1.00 10.00 C ATOM 449 C PRO A 30 -7.033 4.799 -2.951 1.00 10.00 C ATOM 450 O PRO A 30 -5.851 4.460 -2.892 1.00 10.00 O ATOM 451 CB PRO A 30 -8.823 3.114 -2.291 1.00 10.00 C ATOM 452 CG PRO A 30 -7.975 1.862 -2.071 1.00 10.00 C ATOM 453 CD PRO A 30 -7.595 1.490 -3.504 1.00 10.00 C ATOM 0 HA PRO A 30 -8.799 4.447 -4.017 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -8.861 3.736 -1.396 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -9.852 2.862 -2.549 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -7.099 2.064 -1.454 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -8.536 1.069 -1.577 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -6.634 0.977 -3.535 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -8.331 0.816 -3.944 1.00 10.00 H new ATOM 461 N ASN A 31 -7.441 6.019 -2.587 1.00 10.00 N ATOM 462 CA ASN A 31 -6.541 6.987 -1.970 1.00 10.00 C ATOM 463 C ASN A 31 -6.184 6.502 -0.560 1.00 10.00 C ATOM 464 O ASN A 31 -7.069 6.262 0.260 1.00 10.00 O ATOM 465 CB ASN A 31 -7.162 8.385 -1.954 1.00 10.00 C ATOM 466 CG ASN A 31 -6.159 9.449 -1.501 1.00 10.00 C ATOM 467 OD1 ASN A 31 -5.276 9.193 -0.688 1.00 10.00 O ATOM 468 ND2 ASN A 31 -6.279 10.660 -2.033 1.00 10.00 N ATOM 0 H ASN A 31 -8.395 6.357 -2.712 1.00 10.00 H new ATOM 0 HA ASN A 31 -5.626 7.064 -2.557 1.00 10.00 H new ATOM 0 HB2 ASN A 31 -7.528 8.631 -2.951 1.00 10.00 H new ATOM 0 HB3 ASN A 31 -8.024 8.392 -1.288 1.00 10.00 H new ATOM 0 HD21 ASN A 31 -5.629 11.400 -1.768 1.00 10.00 H new ATOM 0 HD22 ASN A 31 -7.021 10.850 -2.707 1.00 10.00 H new ATOM 475 N LEU A 32 -4.891 6.351 -0.282 1.00 10.00 N ATOM 476 CA LEU A 32 -4.360 5.873 0.988 1.00 10.00 C ATOM 477 C LEU A 32 -4.653 6.880 2.102 1.00 10.00 C ATOM 478 O LEU A 32 -5.044 6.432 3.176 1.00 10.00 O ATOM 479 CB LEU A 32 -2.855 5.637 0.800 1.00 10.00 C ATOM 480 CG LEU A 32 -2.550 4.536 -0.233 1.00 10.00 C ATOM 481 CD1 LEU A 32 -1.035 4.350 -0.377 1.00 10.00 C ATOM 482 CD2 LEU A 32 -3.206 3.194 0.122 1.00 10.00 C ATOM 0 H LEU A 32 -4.160 6.566 -0.960 1.00 10.00 H new ATOM 0 HA LEU A 32 -4.836 4.939 1.286 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -2.382 6.567 0.484 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -2.412 5.364 1.758 1.00 10.00 H new ATOM 0 HG LEU A 32 -2.976 4.865 -1.181 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.832 3.569 -1.110 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -0.584 5.285 -0.709 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.611 4.063 0.585 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -2.958 2.455 -0.640 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.839 2.854 1.090 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -4.288 3.319 0.168 1.00 10.00 H new ATOM 494 N HIS A 33 -4.500 8.193 1.852 1.00 10.00 N ATOM 495 CA HIS A 33 -4.810 9.313 2.756 1.00 10.00 C ATOM 496 C HIS A 33 -5.038 8.876 4.209 1.00 10.00 C ATOM 497 O HIS A 33 -6.173 8.627 4.616 1.00 10.00 O ATOM 498 CB HIS A 33 -6.001 10.090 2.171 1.00 10.00 C ATOM 499 CG HIS A 33 -6.626 11.120 3.076 1.00 10.00 C ATOM 500 ND1 HIS A 33 -7.931 11.112 3.510 1.00 10.00 N ATOM 501 CD2 HIS A 33 -6.031 12.254 3.561 1.00 10.00 C ATOM 502 CE1 HIS A 33 -8.118 12.219 4.247 1.00 10.00 C ATOM 503 NE2 HIS A 33 -6.993 12.950 4.302 1.00 10.00 N ATOM 0 H HIS A 33 -4.134 8.519 0.958 1.00 10.00 H new ATOM 0 HA HIS A 33 -3.943 9.971 2.814 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -5.672 10.588 1.259 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -6.770 9.374 1.883 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -8.629 10.396 3.309 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -5.007 12.556 3.401 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -9.047 12.485 4.730 1.00 10.00 H new ATOM 511 N GLY A 34 -3.947 8.741 4.970 1.00 10.00 N ATOM 512 CA GLY A 34 -3.971 8.201 6.322 1.00 10.00 C ATOM 513 C GLY A 34 -4.189 6.686 6.311 1.00 10.00 C ATOM 514 O GLY A 34 -5.174 6.199 6.855 1.00 10.00 O ATOM 0 H GLY A 34 -3.014 9.008 4.655 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -3.032 8.432 6.825 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -4.765 8.681 6.894 1.00 10.00 H new ATOM 518 N LEU A 35 -3.271 5.936 5.694 1.00 10.00 N ATOM 519 CA LEU A 35 -3.332 4.478 5.612 1.00 10.00 C ATOM 520 C LEU A 35 -2.963 3.844 6.953 1.00 10.00 C ATOM 521 O LEU A 35 -3.745 3.100 7.540 1.00 10.00 O ATOM 522 CB LEU A 35 -2.380 4.012 4.500 1.00 10.00 C ATOM 523 CG LEU A 35 -2.107 2.499 4.431 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.354 1.705 4.027 1.00 10.00 C ATOM 525 CD2 LEU A 35 -0.950 2.271 3.448 1.00 10.00 C ATOM 0 H LEU A 35 -2.453 6.333 5.231 1.00 10.00 H new ATOM 0 HA LEU A 35 -4.349 4.163 5.376 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.790 4.330 3.542 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -1.428 4.527 4.626 1.00 10.00 H new ATOM 0 HG LEU A 35 -1.833 2.134 5.421 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -3.113 0.643 3.992 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.145 1.874 4.758 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.692 2.033 3.044 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -0.735 1.205 3.380 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -1.229 2.649 2.464 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -0.063 2.798 3.801 1.00 10.00 H new ATOM 537 N PHE A 36 -1.733 4.085 7.406 1.00 10.00 N ATOM 538 CA PHE A 36 -1.182 3.447 8.581 1.00 10.00 C ATOM 539 C PHE A 36 -2.031 3.778 9.799 1.00 10.00 C ATOM 540 O PHE A 36 -2.259 4.947 10.102 1.00 10.00 O ATOM 541 CB PHE A 36 0.270 3.886 8.760 1.00 10.00 C ATOM 542 CG PHE A 36 1.197 3.619 7.585 1.00 10.00 C ATOM 543 CD1 PHE A 36 0.953 2.576 6.666 1.00 10.00 C ATOM 544 CD2 PHE A 36 2.389 4.354 7.489 1.00 10.00 C ATOM 545 CE1 PHE A 36 1.892 2.283 5.664 1.00 10.00 C ATOM 546 CE2 PHE A 36 3.353 4.005 6.529 1.00 10.00 C ATOM 547 CZ PHE A 36 3.118 2.960 5.639 1.00 10.00 C ATOM 0 H PHE A 36 -1.091 4.738 6.956 1.00 10.00 H new ATOM 0 HA PHE A 36 -1.195 2.364 8.460 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.282 4.955 8.971 1.00 10.00 H new ATOM 0 HB3 PHE A 36 0.675 3.383 9.638 1.00 10.00 H new ATOM 0 HD1 PHE A 36 0.041 2.001 6.734 1.00 10.00 H new ATOM 0 HD2 PHE A 36 2.565 5.187 8.153 1.00 10.00 H new ATOM 0 HE1 PHE A 36 1.670 1.538 4.915 1.00 10.00 H new ATOM 0 HE2 PHE A 36 4.283 4.551 6.481 1.00 10.00 H new ATOM 0 HZ PHE A 36 3.880 2.672 4.930 1.00 10.00 H new ATOM 557 N GLY A 37 -2.516 2.731 10.462 1.00 10.00 N ATOM 558 CA GLY A 37 -3.444 2.832 11.575 1.00 10.00 C ATOM 559 C GLY A 37 -4.848 2.387 11.173 1.00 10.00 C ATOM 560 O GLY A 37 -5.668 2.118 12.047 1.00 10.00 O ATOM 0 H GLY A 37 -2.266 1.769 10.232 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -3.089 2.218 12.403 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -3.475 3.861 11.932 1.00 10.00 H new ATOM 564 N ARG A 38 -5.138 2.283 9.870 1.00 10.00 N ATOM 565 CA ARG A 38 -6.409 1.786 9.385 1.00 10.00 C ATOM 566 C ARG A 38 -6.291 0.320 9.021 1.00 10.00 C ATOM 567 O ARG A 38 -5.190 -0.214 8.884 1.00 10.00 O ATOM 568 CB ARG A 38 -6.848 2.564 8.150 1.00 10.00 C ATOM 569 CG ARG A 38 -7.051 4.037 8.484 1.00 10.00 C ATOM 570 CD ARG A 38 -8.106 4.673 7.571 1.00 10.00 C ATOM 571 NE ARG A 38 -7.821 4.391 6.152 1.00 10.00 N ATOM 572 CZ ARG A 38 -7.481 5.286 5.212 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.646 6.593 5.426 1.00 10.00 N ATOM 574 NH2 ARG A 38 -6.966 4.859 4.058 1.00 10.00 N ATOM 0 H ARG A 38 -4.488 2.545 9.129 1.00 10.00 H new ATOM 0 HA ARG A 38 -7.147 1.912 10.177 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -6.098 2.464 7.366 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.775 2.144 7.760 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.359 4.137 9.525 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -6.106 4.570 8.378 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -9.093 4.290 7.830 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -8.129 5.751 7.733 1.00 10.00 H new ATOM 0 HE ARG A 38 -7.889 3.418 5.855 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -8.034 6.920 6.311 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.384 7.265 4.705 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -6.834 3.860 3.897 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -6.704 5.531 3.337 1.00 10.00 H new ATOM 588 N LYS A 39 -7.450 -0.313 8.847 1.00 10.00 N ATOM 589 CA LYS A 39 -7.543 -1.694 8.438 1.00 10.00 C ATOM 590 C LYS A 39 -7.606 -1.855 6.925 1.00 10.00 C ATOM 591 O LYS A 39 -7.810 -0.900 6.175 1.00 10.00 O ATOM 592 CB LYS A 39 -8.731 -2.380 9.123 1.00 10.00 C ATOM 593 CG LYS A 39 -8.648 -2.266 10.648 1.00 10.00 C ATOM 594 CD LYS A 39 -9.683 -3.203 11.279 1.00 10.00 C ATOM 595 CE LYS A 39 -9.758 -2.977 12.794 1.00 10.00 C ATOM 596 NZ LYS A 39 -10.669 -3.942 13.445 1.00 10.00 N ATOM 0 H LYS A 39 -8.356 0.133 8.990 1.00 10.00 H new ATOM 0 HA LYS A 39 -6.625 -2.187 8.760 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -9.661 -1.931 8.775 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -8.758 -3.432 8.838 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -7.647 -2.527 10.990 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -8.833 -1.238 10.959 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -10.661 -3.029 10.830 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -9.417 -4.240 11.073 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -8.761 -3.069 13.226 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -10.100 -1.962 12.994 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -10.695 -3.759 14.468 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -11.625 -3.837 13.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -10.329 -4.910 13.275 1.00 10.00 H new ATOM 610 N THR A 40 -7.452 -3.106 6.506 1.00 10.00 N ATOM 611 CA THR A 40 -7.722 -3.591 5.170 1.00 10.00 C ATOM 612 C THR A 40 -9.105 -3.132 4.694 1.00 10.00 C ATOM 613 O THR A 40 -10.114 -3.604 5.219 1.00 10.00 O ATOM 614 CB THR A 40 -7.671 -5.115 5.247 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.426 -5.529 6.366 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.235 -5.624 5.409 1.00 10.00 C ATOM 0 H THR A 40 -7.118 -3.843 7.127 1.00 10.00 H new ATOM 0 HA THR A 40 -6.992 -3.202 4.460 1.00 10.00 H new ATOM 0 HB THR A 40 -8.075 -5.523 4.320 1.00 10.00 H new ATOM 0 HG1 THR A 40 -9.271 -5.033 6.393 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.239 -6.713 5.460 1.00 10.00 H new ATOM 0 HG22 THR A 40 -5.637 -5.303 4.556 1.00 10.00 H new ATOM 0 HG23 THR A 40 -5.807 -5.219 6.326 1.00 10.00 H new ATOM 624 N GLY A 41 -9.147 -2.246 3.696 1.00 10.00 N ATOM 625 CA GLY A 41 -10.376 -1.850 3.023 1.00 10.00 C ATOM 626 C GLY A 41 -11.211 -0.867 3.844 1.00 10.00 C ATOM 627 O GLY A 41 -12.396 -1.097 4.072 1.00 10.00 O ATOM 0 H GLY A 41 -8.316 -1.781 3.332 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -10.129 -1.397 2.063 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -10.972 -2.738 2.812 1.00 10.00 H new ATOM 631 N GLN A 42 -10.596 0.244 4.263 1.00 10.00 N ATOM 632 CA GLN A 42 -11.269 1.352 4.944 1.00 10.00 C ATOM 633 C GLN A 42 -11.501 2.544 4.012 1.00 10.00 C ATOM 634 O GLN A 42 -12.505 3.236 4.147 1.00 10.00 O ATOM 635 CB GLN A 42 -10.427 1.798 6.146 1.00 10.00 C ATOM 636 CG GLN A 42 -10.546 0.823 7.324 1.00 10.00 C ATOM 637 CD GLN A 42 -11.907 0.861 8.014 1.00 10.00 C ATOM 638 OE1 GLN A 42 -12.700 1.773 7.813 1.00 10.00 O ATOM 639 NE2 GLN A 42 -12.180 -0.119 8.870 1.00 10.00 N ATOM 0 H GLN A 42 -9.596 0.400 4.135 1.00 10.00 H new ATOM 0 HA GLN A 42 -12.245 0.996 5.274 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -9.382 1.879 5.847 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -10.746 2.791 6.463 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -10.357 -0.189 6.967 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.771 1.053 8.055 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.504 -0.868 9.021 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -13.066 -0.122 9.376 1.00 10.00 H new ATOM 648 N ALA A 43 -10.552 2.834 3.113 1.00 10.00 N ATOM 649 CA ALA A 43 -10.582 4.032 2.278 1.00 10.00 C ATOM 650 C ALA A 43 -11.909 4.131 1.509 1.00 10.00 C ATOM 651 O ALA A 43 -12.168 3.278 0.661 1.00 10.00 O ATOM 652 CB ALA A 43 -9.402 3.987 1.306 1.00 10.00 C ATOM 0 H ALA A 43 -9.740 2.239 2.947 1.00 10.00 H new ATOM 0 HA ALA A 43 -10.502 4.915 2.912 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -9.414 4.877 0.677 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.469 3.953 1.868 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -9.481 3.099 0.679 1.00 10.00 H new ATOM 658 N PRO A 44 -12.782 5.110 1.796 1.00 10.00 N ATOM 659 CA PRO A 44 -14.118 5.137 1.227 1.00 10.00 C ATOM 660 C PRO A 44 -14.056 5.540 -0.247 1.00 10.00 C ATOM 661 O PRO A 44 -13.554 6.613 -0.579 1.00 10.00 O ATOM 662 CB PRO A 44 -14.906 6.138 2.073 1.00 10.00 C ATOM 663 CG PRO A 44 -13.830 7.100 2.574 1.00 10.00 C ATOM 664 CD PRO A 44 -12.607 6.197 2.747 1.00 10.00 C ATOM 0 HA PRO A 44 -14.601 4.160 1.247 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -15.664 6.654 1.483 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -15.423 5.648 2.898 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -13.641 7.901 1.859 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -14.118 7.572 3.513 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -11.685 6.745 2.550 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -12.541 5.818 3.767 1.00 10.00 H new ATOM 672 N GLY A 45 -14.581 4.681 -1.123 1.00 10.00 N ATOM 673 CA GLY A 45 -14.693 4.941 -2.547 1.00 10.00 C ATOM 674 C GLY A 45 -14.551 3.631 -3.308 1.00 10.00 C ATOM 675 O GLY A 45 -15.512 3.162 -3.911 1.00 10.00 O ATOM 0 H GLY A 45 -14.946 3.768 -0.850 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -15.655 5.402 -2.770 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -13.922 5.644 -2.862 1.00 10.00 H new ATOM 679 N PHE A 46 -13.354 3.039 -3.286 1.00 10.00 N ATOM 680 CA PHE A 46 -13.111 1.813 -4.033 1.00 10.00 C ATOM 681 C PHE A 46 -13.864 0.628 -3.404 1.00 10.00 C ATOM 682 O PHE A 46 -13.992 0.555 -2.182 1.00 10.00 O ATOM 683 CB PHE A 46 -11.608 1.499 -4.107 1.00 10.00 C ATOM 684 CG PHE A 46 -11.288 0.404 -5.105 1.00 10.00 C ATOM 685 CD1 PHE A 46 -11.401 0.670 -6.482 1.00 10.00 C ATOM 686 CD2 PHE A 46 -11.013 -0.907 -4.669 1.00 10.00 C ATOM 687 CE1 PHE A 46 -11.266 -0.371 -7.416 1.00 10.00 C ATOM 688 CE2 PHE A 46 -10.851 -1.942 -5.607 1.00 10.00 C ATOM 689 CZ PHE A 46 -10.978 -1.675 -6.980 1.00 10.00 C ATOM 0 H PHE A 46 -12.550 3.387 -2.764 1.00 10.00 H new ATOM 0 HA PHE A 46 -13.484 1.967 -5.046 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -11.065 2.404 -4.380 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -11.254 1.200 -3.120 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -11.592 1.677 -6.822 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -10.927 -1.117 -3.613 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -11.384 -0.168 -8.470 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -10.629 -2.944 -5.271 1.00 10.00 H new ATOM 0 HZ PHE A 46 -10.854 -2.471 -7.699 1.00 10.00 H new ATOM 699 N THR A 47 -14.328 -0.318 -4.224 1.00 10.00 N ATOM 700 CA THR A 47 -15.007 -1.526 -3.767 1.00 10.00 C ATOM 701 C THR A 47 -13.971 -2.558 -3.304 1.00 10.00 C ATOM 702 O THR A 47 -13.278 -3.145 -4.132 1.00 10.00 O ATOM 703 CB THR A 47 -15.873 -2.084 -4.909 1.00 10.00 C ATOM 704 OG1 THR A 47 -16.668 -1.044 -5.443 1.00 10.00 O ATOM 705 CG2 THR A 47 -16.789 -3.212 -4.423 1.00 10.00 C ATOM 0 H THR A 47 -14.240 -0.262 -5.239 1.00 10.00 H new ATOM 0 HA THR A 47 -15.655 -1.293 -2.922 1.00 10.00 H new ATOM 0 HB THR A 47 -15.206 -2.488 -5.671 1.00 10.00 H new ATOM 0 HG1 THR A 47 -17.220 -1.396 -6.172 1.00 10.00 H new ATOM 0 HG21 THR A 47 -17.386 -3.581 -5.257 1.00 10.00 H new ATOM 0 HG22 THR A 47 -16.184 -4.025 -4.022 1.00 10.00 H new ATOM 0 HG23 THR A 47 -17.450 -2.833 -3.644 1.00 10.00 H new ATOM 713 N TYR A 48 -13.861 -2.798 -1.994 1.00 10.00 N ATOM 714 CA TYR A 48 -12.962 -3.802 -1.442 1.00 10.00 C ATOM 715 C TYR A 48 -13.378 -5.211 -1.886 1.00 10.00 C ATOM 716 O TYR A 48 -14.465 -5.403 -2.430 1.00 10.00 O ATOM 717 CB TYR A 48 -12.991 -3.737 0.092 1.00 10.00 C ATOM 718 CG TYR A 48 -13.188 -2.356 0.680 1.00 10.00 C ATOM 719 CD1 TYR A 48 -12.286 -1.329 0.352 1.00 10.00 C ATOM 720 CD2 TYR A 48 -14.363 -2.057 1.395 1.00 10.00 C ATOM 721 CE1 TYR A 48 -12.561 -0.007 0.731 1.00 10.00 C ATOM 722 CE2 TYR A 48 -14.652 -0.730 1.747 1.00 10.00 C ATOM 723 CZ TYR A 48 -13.759 0.296 1.399 1.00 10.00 C ATOM 724 OH TYR A 48 -14.083 1.587 1.669 1.00 10.00 O ATOM 0 H TYR A 48 -14.398 -2.296 -1.287 1.00 10.00 H new ATOM 0 HA TYR A 48 -11.956 -3.595 -1.808 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -13.792 -4.384 0.451 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -12.055 -4.146 0.474 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -11.381 -1.558 -0.192 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -15.042 -2.849 1.673 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -11.852 0.777 0.509 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -15.560 -0.498 2.285 1.00 10.00 H new ATOM 0 HH TYR A 48 -13.485 2.185 1.173 1.00 10.00 H new ATOM 734 N THR A 49 -12.545 -6.209 -1.584 1.00 10.00 N ATOM 735 CA THR A 49 -12.818 -7.610 -1.862 1.00 10.00 C ATOM 736 C THR A 49 -13.074 -8.363 -0.553 1.00 10.00 C ATOM 737 O THR A 49 -12.595 -7.947 0.507 1.00 10.00 O ATOM 738 CB THR A 49 -11.620 -8.197 -2.618 1.00 10.00 C ATOM 739 OG1 THR A 49 -10.449 -8.073 -1.833 1.00 10.00 O ATOM 740 CG2 THR A 49 -11.416 -7.470 -3.953 1.00 10.00 C ATOM 0 H THR A 49 -11.644 -6.057 -1.130 1.00 10.00 H new ATOM 0 HA THR A 49 -13.712 -7.709 -2.478 1.00 10.00 H new ATOM 0 HB THR A 49 -11.820 -9.250 -2.816 1.00 10.00 H new ATOM 0 HG1 THR A 49 -9.687 -8.451 -2.320 1.00 10.00 H new ATOM 0 HG21 THR A 49 -10.561 -7.901 -4.475 1.00 10.00 H new ATOM 0 HG22 THR A 49 -12.310 -7.580 -4.567 1.00 10.00 H new ATOM 0 HG23 THR A 49 -11.232 -6.412 -3.767 1.00 10.00 H new ATOM 748 N ASP A 50 -13.810 -9.483 -0.639 1.00 10.00 N ATOM 749 CA ASP A 50 -14.044 -10.378 0.490 1.00 10.00 C ATOM 750 C ASP A 50 -12.727 -10.652 1.200 1.00 10.00 C ATOM 751 O ASP A 50 -12.571 -10.308 2.358 1.00 10.00 O ATOM 752 CB ASP A 50 -14.669 -11.699 0.028 1.00 10.00 C ATOM 753 CG ASP A 50 -14.811 -12.647 1.216 1.00 10.00 C ATOM 754 OD1 ASP A 50 -13.822 -13.359 1.499 1.00 10.00 O ATOM 755 OD2 ASP A 50 -15.894 -12.613 1.834 1.00 10.00 O ATOM 0 H ASP A 50 -14.259 -9.789 -1.502 1.00 10.00 H new ATOM 0 HA ASP A 50 -14.741 -9.895 1.175 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -15.645 -11.513 -0.419 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -14.047 -12.156 -0.742 1.00 10.00 H new ATOM 760 N ALA A 51 -11.772 -11.212 0.462 1.00 10.00 N ATOM 761 CA ALA A 51 -10.450 -11.600 0.911 1.00 10.00 C ATOM 762 C ALA A 51 -9.778 -10.491 1.723 1.00 10.00 C ATOM 763 O ALA A 51 -9.279 -10.741 2.820 1.00 10.00 O ATOM 764 CB ALA A 51 -9.610 -11.989 -0.311 1.00 10.00 C ATOM 0 H ALA A 51 -11.916 -11.417 -0.527 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.537 -12.457 1.579 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -8.612 -12.283 0.013 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -10.085 -12.823 -0.828 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -9.536 -11.138 -0.987 1.00 10.00 H new ATOM 770 N ASN A 52 -9.756 -9.260 1.199 1.00 10.00 N ATOM 771 CA ASN A 52 -9.145 -8.147 1.919 1.00 10.00 C ATOM 772 C ASN A 52 -9.833 -7.974 3.277 1.00 10.00 C ATOM 773 O ASN A 52 -9.181 -7.838 4.313 1.00 10.00 O ATOM 774 CB ASN A 52 -9.218 -6.861 1.079 1.00 10.00 C ATOM 775 CG ASN A 52 -8.223 -5.794 1.537 1.00 10.00 C ATOM 776 OD1 ASN A 52 -7.195 -6.095 2.136 1.00 10.00 O ATOM 777 ND2 ASN A 52 -8.501 -4.527 1.245 1.00 10.00 N ATOM 0 H ASN A 52 -10.150 -9.015 0.291 1.00 10.00 H new ATOM 0 HA ASN A 52 -8.091 -8.362 2.095 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -9.027 -7.104 0.034 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -10.228 -6.455 1.132 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -7.855 -3.787 1.519 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -9.360 -4.295 0.747 1.00 10.00 H new ATOM 784 N LYS A 53 -11.167 -8.029 3.272 1.00 10.00 N ATOM 785 CA LYS A 53 -11.969 -7.950 4.483 1.00 10.00 C ATOM 786 C LYS A 53 -11.723 -9.149 5.407 1.00 10.00 C ATOM 787 O LYS A 53 -11.670 -8.979 6.623 1.00 10.00 O ATOM 788 CB LYS A 53 -13.452 -7.814 4.108 1.00 10.00 C ATOM 789 CG LYS A 53 -14.213 -7.021 5.174 1.00 10.00 C ATOM 790 CD LYS A 53 -15.703 -6.971 4.817 1.00 10.00 C ATOM 791 CE LYS A 53 -16.438 -6.005 5.757 1.00 10.00 C ATOM 792 NZ LYS A 53 -17.891 -5.968 5.487 1.00 10.00 N ATOM 0 H LYS A 53 -11.719 -8.130 2.420 1.00 10.00 H new ATOM 0 HA LYS A 53 -11.668 -7.065 5.044 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -13.543 -7.315 3.143 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -13.896 -8.803 3.998 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -14.079 -7.485 6.151 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -13.812 -6.010 5.244 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -15.827 -6.649 3.783 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -16.137 -7.968 4.895 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -16.269 -6.306 6.791 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -16.023 -5.003 5.645 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -18.349 -5.304 6.143 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -18.054 -5.656 4.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -18.293 -6.918 5.619 1.00 10.00 H new ATOM 806 N ASN A 54 -11.574 -10.349 4.837 1.00 10.00 N ATOM 807 CA ASN A 54 -11.295 -11.584 5.558 1.00 10.00 C ATOM 808 C ASN A 54 -10.013 -11.394 6.368 1.00 10.00 C ATOM 809 O ASN A 54 -9.937 -11.749 7.541 1.00 10.00 O ATOM 810 CB ASN A 54 -11.167 -12.727 4.537 1.00 10.00 C ATOM 811 CG ASN A 54 -11.175 -14.116 5.162 1.00 10.00 C ATOM 812 OD1 ASN A 54 -10.440 -14.396 6.102 1.00 10.00 O ATOM 813 ND2 ASN A 54 -11.985 -15.019 4.614 1.00 10.00 N ATOM 0 H ASN A 54 -11.648 -10.486 3.829 1.00 10.00 H new ATOM 0 HA ASN A 54 -12.099 -11.836 6.250 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -11.987 -12.656 3.822 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -10.242 -12.597 3.975 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -12.005 -15.973 4.976 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -12.586 -14.757 3.832 1.00 10.00 H new ATOM 820 N LYS A 55 -9.017 -10.781 5.725 1.00 10.00 N ATOM 821 CA LYS A 55 -7.733 -10.461 6.322 1.00 10.00 C ATOM 822 C LYS A 55 -7.892 -9.555 7.554 1.00 10.00 C ATOM 823 O LYS A 55 -7.432 -9.910 8.637 1.00 10.00 O ATOM 824 CB LYS A 55 -6.827 -9.872 5.229 1.00 10.00 C ATOM 825 CG LYS A 55 -5.428 -10.487 5.238 1.00 10.00 C ATOM 826 CD LYS A 55 -4.530 -9.818 6.279 1.00 10.00 C ATOM 827 CE LYS A 55 -3.115 -10.409 6.297 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.100 -11.876 6.459 1.00 10.00 N ATOM 0 H LYS A 55 -9.090 -10.489 4.750 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.256 -11.362 6.707 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -7.286 -10.034 4.254 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.748 -8.794 5.368 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -5.500 -11.554 5.449 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -4.979 -10.387 4.250 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -4.472 -8.749 6.072 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -4.979 -9.927 7.266 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -2.607 -10.147 5.369 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -2.549 -9.954 7.110 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.182 -12.173 6.847 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.859 -12.161 7.110 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.248 -12.329 5.535 1.00 10.00 H new ATOM 842 N GLY A 56 -8.531 -8.390 7.406 1.00 10.00 N ATOM 843 CA GLY A 56 -9.073 -7.630 8.535 1.00 10.00 C ATOM 844 C GLY A 56 -8.055 -7.059 9.538 1.00 10.00 C ATOM 845 O GLY A 56 -8.454 -6.643 10.628 1.00 10.00 O ATOM 0 H GLY A 56 -8.687 -7.948 6.500 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -9.659 -6.802 8.137 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.762 -8.275 9.080 1.00 10.00 H new ATOM 849 N ILE A 57 -6.762 -7.009 9.201 1.00 10.00 N ATOM 850 CA ILE A 57 -5.721 -6.479 10.088 1.00 10.00 C ATOM 851 C ILE A 57 -5.626 -4.958 9.968 1.00 10.00 C ATOM 852 O ILE A 57 -6.201 -4.385 9.045 1.00 10.00 O ATOM 853 CB ILE A 57 -4.351 -7.105 9.767 1.00 10.00 C ATOM 854 CG1 ILE A 57 -3.954 -6.808 8.311 1.00 10.00 C ATOM 855 CG2 ILE A 57 -4.371 -8.608 10.078 1.00 10.00 C ATOM 856 CD1 ILE A 57 -2.467 -7.026 8.044 1.00 10.00 C ATOM 0 H ILE A 57 -6.407 -7.336 8.302 1.00 10.00 H new ATOM 0 HA ILE A 57 -5.998 -6.739 11.110 1.00 10.00 H new ATOM 0 HB ILE A 57 -3.587 -6.655 10.402 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -4.535 -7.445 7.644 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -4.213 -5.777 8.072 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -3.397 -9.040 9.847 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -4.594 -8.758 11.134 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -5.136 -9.095 9.473 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -2.248 -6.801 7.000 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -1.882 -6.369 8.688 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -2.208 -8.064 8.253 1.00 10.00 H new ATOM 868 N THR A 58 -4.841 -4.336 10.857 1.00 10.00 N ATOM 869 CA THR A 58 -4.450 -2.931 10.817 1.00 10.00 C ATOM 870 C THR A 58 -3.078 -2.799 10.146 1.00 10.00 C ATOM 871 O THR A 58 -2.181 -3.589 10.440 1.00 10.00 O ATOM 872 CB THR A 58 -4.417 -2.371 12.246 1.00 10.00 C ATOM 873 OG1 THR A 58 -5.597 -2.751 12.932 1.00 10.00 O ATOM 874 CG2 THR A 58 -4.332 -0.843 12.240 1.00 10.00 C ATOM 0 H THR A 58 -4.446 -4.826 11.659 1.00 10.00 H new ATOM 0 HA THR A 58 -5.174 -2.359 10.236 1.00 10.00 H new ATOM 0 HB THR A 58 -3.535 -2.774 12.743 1.00 10.00 H new ATOM 0 HG1 THR A 58 -5.574 -2.394 13.845 1.00 10.00 H new ATOM 0 HG21 THR A 58 -4.310 -0.476 13.266 1.00 10.00 H new ATOM 0 HG22 THR A 58 -3.424 -0.531 11.724 1.00 10.00 H new ATOM 0 HG23 THR A 58 -5.201 -0.432 11.726 1.00 10.00 H new ATOM 882 N TRP A 59 -2.898 -1.809 9.266 1.00 10.00 N ATOM 883 CA TRP A 59 -1.634 -1.582 8.576 1.00 10.00 C ATOM 884 C TRP A 59 -0.684 -0.763 9.449 1.00 10.00 C ATOM 885 O TRP A 59 -1.095 0.256 10.009 1.00 10.00 O ATOM 886 CB TRP A 59 -1.888 -0.853 7.257 1.00 10.00 C ATOM 887 CG TRP A 59 -2.697 -1.610 6.254 1.00 10.00 C ATOM 888 CD1 TRP A 59 -3.978 -1.340 5.923 1.00 10.00 C ATOM 889 CD2 TRP A 59 -2.299 -2.758 5.439 1.00 10.00 C ATOM 890 NE1 TRP A 59 -4.369 -2.194 4.910 1.00 10.00 N ATOM 891 CE2 TRP A 59 -3.385 -3.116 4.592 1.00 10.00 C ATOM 892 CE3 TRP A 59 -1.125 -3.535 5.333 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -3.302 -4.187 3.679 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -1.021 -4.590 4.403 1.00 10.00 C ATOM 895 CH2 TRP A 59 -2.102 -4.914 3.558 1.00 10.00 C ATOM 0 H TRP A 59 -3.629 -1.144 9.015 1.00 10.00 H new ATOM 0 HA TRP A 59 -1.171 -2.547 8.372 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -2.395 0.088 7.473 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -0.927 -0.602 6.809 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -4.597 -0.580 6.377 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.278 -2.151 4.449 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -0.287 -3.316 5.979 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.157 -4.449 3.074 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -0.103 -5.156 4.337 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -2.011 -5.707 2.830 1.00 10.00 H new ATOM 906 N LYS A 60 0.580 -1.198 9.524 1.00 10.00 N ATOM 907 CA LYS A 60 1.665 -0.484 10.193 1.00 10.00 C ATOM 908 C LYS A 60 2.827 -0.306 9.214 1.00 10.00 C ATOM 909 O LYS A 60 2.837 0.637 8.429 1.00 10.00 O ATOM 910 CB LYS A 60 2.078 -1.195 11.499 1.00 10.00 C ATOM 911 CG LYS A 60 1.809 -2.707 11.553 1.00 10.00 C ATOM 912 CD LYS A 60 2.359 -3.251 12.879 1.00 10.00 C ATOM 913 CE LYS A 60 2.061 -4.748 13.053 1.00 10.00 C ATOM 914 NZ LYS A 60 2.737 -5.304 14.243 1.00 10.00 N ATOM 0 H LYS A 60 0.880 -2.080 9.109 1.00 10.00 H new ATOM 0 HA LYS A 60 1.326 0.508 10.493 1.00 10.00 H new ATOM 0 HB2 LYS A 60 3.143 -1.029 11.659 1.00 10.00 H new ATOM 0 HB3 LYS A 60 1.553 -0.722 12.329 1.00 10.00 H new ATOM 0 HG2 LYS A 60 0.740 -2.905 11.477 1.00 10.00 H new ATOM 0 HG3 LYS A 60 2.287 -3.207 10.711 1.00 10.00 H new ATOM 0 HD2 LYS A 60 3.436 -3.088 12.919 1.00 10.00 H new ATOM 0 HD3 LYS A 60 1.922 -2.695 13.708 1.00 10.00 H new ATOM 0 HE2 LYS A 60 0.985 -4.897 13.143 1.00 10.00 H new ATOM 0 HE3 LYS A 60 2.385 -5.289 12.164 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 2.335 -6.237 14.467 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 3.754 -5.403 14.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 2.598 -4.665 15.051 1.00 10.00 H new ATOM 928 N GLU A 61 3.791 -1.225 9.255 1.00 10.00 N ATOM 929 CA GLU A 61 4.989 -1.220 8.432 1.00 10.00 C ATOM 930 C GLU A 61 5.389 -2.668 8.155 1.00 10.00 C ATOM 931 O GLU A 61 5.450 -3.075 6.994 1.00 10.00 O ATOM 932 CB GLU A 61 6.080 -0.323 9.046 1.00 10.00 C ATOM 933 CG GLU A 61 6.277 -0.373 10.573 1.00 10.00 C ATOM 934 CD GLU A 61 6.721 0.986 11.104 1.00 10.00 C ATOM 935 OE1 GLU A 61 7.556 1.654 10.451 1.00 10.00 O ATOM 936 OE2 GLU A 61 6.173 1.440 12.133 1.00 10.00 O ATOM 0 H GLU A 61 3.752 -2.023 9.889 1.00 10.00 H new ATOM 0 HA GLU A 61 4.808 -0.762 7.460 1.00 10.00 H new ATOM 0 HB2 GLU A 61 7.029 -0.582 8.577 1.00 10.00 H new ATOM 0 HB3 GLU A 61 5.860 0.708 8.771 1.00 10.00 H new ATOM 0 HG2 GLU A 61 5.346 -0.671 11.055 1.00 10.00 H new ATOM 0 HG3 GLU A 61 7.022 -1.128 10.824 1.00 10.00 H new ATOM 943 N GLU A 62 5.524 -3.470 9.218 1.00 10.00 N ATOM 944 CA GLU A 62 5.751 -4.916 9.120 1.00 10.00 C ATOM 945 C GLU A 62 4.767 -5.549 8.131 1.00 10.00 C ATOM 946 O GLU A 62 5.133 -6.323 7.248 1.00 10.00 O ATOM 947 CB GLU A 62 5.526 -5.553 10.497 1.00 10.00 C ATOM 948 CG GLU A 62 6.490 -5.065 11.583 1.00 10.00 C ATOM 949 CD GLU A 62 5.977 -5.509 12.943 1.00 10.00 C ATOM 950 OE1 GLU A 62 6.286 -6.645 13.348 1.00 10.00 O ATOM 951 OE2 GLU A 62 5.183 -4.737 13.524 1.00 10.00 O ATOM 0 H GLU A 62 5.478 -3.130 10.179 1.00 10.00 H new ATOM 0 HA GLU A 62 6.771 -5.086 8.775 1.00 10.00 H new ATOM 0 HB2 GLU A 62 4.504 -5.348 10.816 1.00 10.00 H new ATOM 0 HB3 GLU A 62 5.620 -6.635 10.404 1.00 10.00 H new ATOM 0 HG2 GLU A 62 7.488 -5.468 11.408 1.00 10.00 H new ATOM 0 HG3 GLU A 62 6.574 -3.979 11.550 1.00 10.00 H new ATOM 958 N THR A 63 3.494 -5.191 8.290 1.00 10.00 N ATOM 959 CA THR A 63 2.401 -5.702 7.495 1.00 10.00 C ATOM 960 C THR A 63 2.656 -5.469 6.006 1.00 10.00 C ATOM 961 O THR A 63 2.392 -6.342 5.184 1.00 10.00 O ATOM 962 CB THR A 63 1.113 -5.027 7.987 1.00 10.00 C ATOM 963 OG1 THR A 63 1.324 -3.629 8.140 1.00 10.00 O ATOM 964 CG2 THR A 63 0.715 -5.601 9.348 1.00 10.00 C ATOM 0 H THR A 63 3.196 -4.519 8.997 1.00 10.00 H new ATOM 0 HA THR A 63 2.305 -6.781 7.613 1.00 10.00 H new ATOM 0 HB THR A 63 0.326 -5.209 7.255 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.267 -3.192 7.265 1.00 10.00 H new ATOM 0 HG21 THR A 63 -0.200 -5.119 9.693 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.547 -6.674 9.255 1.00 10.00 H new ATOM 0 HG23 THR A 63 1.514 -5.420 10.067 1.00 10.00 H new ATOM 972 N LEU A 64 3.174 -4.292 5.647 1.00 10.00 N ATOM 973 CA LEU A 64 3.430 -3.970 4.254 1.00 10.00 C ATOM 974 C LEU A 64 4.697 -4.664 3.787 1.00 10.00 C ATOM 975 O LEU A 64 4.707 -5.239 2.706 1.00 10.00 O ATOM 976 CB LEU A 64 3.496 -2.469 4.026 1.00 10.00 C ATOM 977 CG LEU A 64 2.194 -1.813 4.506 1.00 10.00 C ATOM 978 CD1 LEU A 64 2.418 -1.063 5.820 1.00 10.00 C ATOM 979 CD2 LEU A 64 1.637 -0.880 3.431 1.00 10.00 C ATOM 0 H LEU A 64 3.421 -3.553 6.305 1.00 10.00 H new ATOM 0 HA LEU A 64 2.595 -4.338 3.657 1.00 10.00 H new ATOM 0 HB2 LEU A 64 4.346 -2.047 4.563 1.00 10.00 H new ATOM 0 HB3 LEU A 64 3.651 -2.259 2.968 1.00 10.00 H new ATOM 0 HG LEU A 64 1.460 -2.598 4.689 1.00 10.00 H new ATOM 0 HD11 LEU A 64 1.482 -0.606 6.142 1.00 10.00 H new ATOM 0 HD12 LEU A 64 2.762 -1.761 6.583 1.00 10.00 H new ATOM 0 HD13 LEU A 64 3.169 -0.287 5.673 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.714 -0.424 3.788 1.00 10.00 H new ATOM 0 HD22 LEU A 64 2.367 -0.100 3.212 1.00 10.00 H new ATOM 0 HD23 LEU A 64 1.433 -1.450 2.525 1.00 10.00 H new ATOM 991 N MET A 65 5.745 -4.651 4.613 1.00 10.00 N ATOM 992 CA MET A 65 6.941 -5.456 4.406 1.00 10.00 C ATOM 993 C MET A 65 6.574 -6.886 3.999 1.00 10.00 C ATOM 994 O MET A 65 7.185 -7.445 3.090 1.00 10.00 O ATOM 995 CB MET A 65 7.790 -5.425 5.686 1.00 10.00 C ATOM 996 CG MET A 65 8.971 -4.462 5.561 1.00 10.00 C ATOM 997 SD MET A 65 9.799 -4.085 7.123 1.00 10.00 S ATOM 998 CE MET A 65 10.399 -5.723 7.576 1.00 10.00 C ATOM 0 H MET A 65 5.783 -4.073 5.453 1.00 10.00 H new ATOM 0 HA MET A 65 7.528 -5.039 3.587 1.00 10.00 H new ATOM 0 HB2 MET A 65 7.166 -5.128 6.529 1.00 10.00 H new ATOM 0 HB3 MET A 65 8.160 -6.428 5.901 1.00 10.00 H new ATOM 0 HG2 MET A 65 9.700 -4.888 4.872 1.00 10.00 H new ATOM 0 HG3 MET A 65 8.619 -3.531 5.117 1.00 10.00 H new ATOM 0 HE1 MET A 65 11.025 -5.648 8.465 1.00 10.00 H new ATOM 0 HE2 MET A 65 9.552 -6.377 7.783 1.00 10.00 H new ATOM 0 HE3 MET A 65 10.984 -6.136 6.754 1.00 10.00 H new ATOM 1008 N GLU A 66 5.579 -7.464 4.671 1.00 10.00 N ATOM 1009 CA GLU A 66 5.137 -8.824 4.424 1.00 10.00 C ATOM 1010 C GLU A 66 4.197 -8.903 3.195 1.00 10.00 C ATOM 1011 O GLU A 66 4.338 -9.772 2.336 1.00 10.00 O ATOM 1012 CB GLU A 66 4.512 -9.346 5.727 1.00 10.00 C ATOM 1013 CG GLU A 66 4.605 -10.872 5.869 1.00 10.00 C ATOM 1014 CD GLU A 66 4.304 -11.346 7.288 1.00 10.00 C ATOM 1015 OE1 GLU A 66 3.691 -10.558 8.045 1.00 10.00 O ATOM 1016 OE2 GLU A 66 4.655 -12.510 7.572 1.00 10.00 O ATOM 0 H GLU A 66 5.056 -6.991 5.408 1.00 10.00 H new ATOM 0 HA GLU A 66 5.974 -9.469 4.158 1.00 10.00 H new ATOM 0 HB2 GLU A 66 5.010 -8.877 6.576 1.00 10.00 H new ATOM 0 HB3 GLU A 66 3.465 -9.046 5.766 1.00 10.00 H new ATOM 0 HG2 GLU A 66 3.906 -11.341 5.177 1.00 10.00 H new ATOM 0 HG3 GLU A 66 5.605 -11.200 5.584 1.00 10.00 H new ATOM 1023 N TYR A 67 3.249 -7.967 3.078 1.00 10.00 N ATOM 1024 CA TYR A 67 2.212 -7.919 2.045 1.00 10.00 C ATOM 1025 C TYR A 67 2.854 -7.685 0.693 1.00 10.00 C ATOM 1026 O TYR A 67 2.690 -8.487 -0.223 1.00 10.00 O ATOM 1027 CB TYR A 67 1.212 -6.790 2.338 1.00 10.00 C ATOM 1028 CG TYR A 67 0.345 -6.314 1.179 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -0.595 -7.181 0.596 1.00 10.00 C ATOM 1030 CD2 TYR A 67 0.441 -4.984 0.715 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.429 -6.721 -0.439 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.420 -4.519 -0.297 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.377 -5.381 -0.855 1.00 10.00 C ATOM 1034 OH TYR A 67 -2.350 -4.908 -1.682 1.00 10.00 O ATOM 0 H TYR A 67 3.182 -7.187 3.732 1.00 10.00 H new ATOM 0 HA TYR A 67 1.678 -8.869 2.041 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.553 -7.122 3.140 1.00 10.00 H new ATOM 0 HB3 TYR A 67 1.770 -5.934 2.717 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.677 -8.201 0.943 1.00 10.00 H new ATOM 0 HD2 TYR A 67 1.179 -4.319 1.139 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.115 -7.404 -0.918 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.344 -3.499 -0.644 1.00 10.00 H new ATOM 0 HH TYR A 67 -1.983 -4.786 -2.582 1.00 10.00 H new ATOM 1044 N LEU A 68 3.608 -6.588 0.587 1.00 10.00 N ATOM 1045 CA LEU A 68 4.358 -6.260 -0.609 1.00 10.00 C ATOM 1046 C LEU A 68 5.263 -7.420 -1.024 1.00 10.00 C ATOM 1047 O LEU A 68 5.624 -7.485 -2.196 1.00 10.00 O ATOM 1048 CB LEU A 68 5.165 -4.975 -0.392 1.00 10.00 C ATOM 1049 CG LEU A 68 4.301 -3.721 -0.178 1.00 10.00 C ATOM 1050 CD1 LEU A 68 5.185 -2.589 0.359 1.00 10.00 C ATOM 1051 CD2 LEU A 68 3.637 -3.276 -1.486 1.00 10.00 C ATOM 0 H LEU A 68 3.710 -5.904 1.337 1.00 10.00 H new ATOM 0 HA LEU A 68 3.654 -6.088 -1.423 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.814 -5.108 0.473 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.812 -4.815 -1.254 1.00 10.00 H new ATOM 0 HG LEU A 68 3.515 -3.959 0.538 1.00 10.00 H new ATOM 0 HD11 LEU A 68 4.579 -1.696 0.513 1.00 10.00 H new ATOM 0 HD12 LEU A 68 5.630 -2.893 1.306 1.00 10.00 H new ATOM 0 HD13 LEU A 68 5.975 -2.372 -0.360 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.033 -2.387 -1.303 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.405 -3.047 -2.224 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.000 -4.077 -1.862 1.00 10.00 H new ATOM 1063 N GLU A 69 5.634 -8.333 -0.112 1.00 10.00 N ATOM 1064 CA GLU A 69 6.391 -9.508 -0.543 1.00 10.00 C ATOM 1065 C GLU A 69 5.509 -10.509 -1.303 1.00 10.00 C ATOM 1066 O GLU A 69 5.946 -11.081 -2.300 1.00 10.00 O ATOM 1067 CB GLU A 69 7.127 -10.172 0.627 1.00 10.00 C ATOM 1068 CG GLU A 69 8.138 -11.202 0.093 1.00 10.00 C ATOM 1069 CD GLU A 69 9.221 -11.517 1.106 1.00 10.00 C ATOM 1070 OE1 GLU A 69 10.211 -10.747 1.101 1.00 10.00 O ATOM 1071 OE2 GLU A 69 9.037 -12.479 1.876 1.00 10.00 O ATOM 0 H GLU A 69 5.431 -8.283 0.886 1.00 10.00 H new ATOM 0 HA GLU A 69 7.151 -9.158 -1.242 1.00 10.00 H new ATOM 0 HB2 GLU A 69 7.643 -9.416 1.219 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.411 -10.661 1.288 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.613 -12.120 -0.173 1.00 10.00 H new ATOM 0 HG3 GLU A 69 8.596 -10.820 -0.820 1.00 10.00 H new ATOM 1078 N ASN A 70 4.287 -10.754 -0.825 1.00 10.00 N ATOM 1079 CA ASN A 70 3.368 -11.737 -1.396 1.00 10.00 C ATOM 1080 C ASN A 70 1.935 -11.322 -1.070 1.00 10.00 C ATOM 1081 O ASN A 70 1.411 -11.732 -0.028 1.00 10.00 O ATOM 1082 CB ASN A 70 3.663 -13.145 -0.842 1.00 10.00 C ATOM 1083 CG ASN A 70 4.483 -14.009 -1.794 1.00 10.00 C ATOM 1084 OD1 ASN A 70 3.927 -14.640 -2.691 1.00 10.00 O ATOM 1085 ND2 ASN A 70 5.791 -14.098 -1.583 1.00 10.00 N ATOM 0 H ASN A 70 3.903 -10.265 -0.016 1.00 10.00 H new ATOM 0 HA ASN A 70 3.501 -11.772 -2.477 1.00 10.00 H new ATOM 0 HB2 ASN A 70 4.197 -13.051 0.104 1.00 10.00 H new ATOM 0 HB3 ASN A 70 2.720 -13.648 -0.627 1.00 10.00 H new ATOM 0 HD21 ASN A 70 6.363 -14.702 -2.173 1.00 10.00 H new ATOM 0 HD22 ASN A 70 6.224 -13.562 -0.831 1.00 10.00 H new ATOM 1092 N PRO A 71 1.260 -10.572 -1.962 1.00 10.00 N ATOM 1093 CA PRO A 71 -0.106 -10.157 -1.713 1.00 10.00 C ATOM 1094 C PRO A 71 -0.985 -11.384 -1.488 1.00 10.00 C ATOM 1095 O PRO A 71 -1.821 -11.379 -0.591 1.00 10.00 O ATOM 1096 CB PRO A 71 -0.527 -9.310 -2.917 1.00 10.00 C ATOM 1097 CG PRO A 71 0.410 -9.762 -4.033 1.00 10.00 C ATOM 1098 CD PRO A 71 1.691 -10.132 -3.285 1.00 10.00 C ATOM 0 HA PRO A 71 -0.208 -9.558 -0.808 1.00 10.00 H new ATOM 0 HB2 PRO A 71 -1.571 -9.480 -3.179 1.00 10.00 H new ATOM 0 HB3 PRO A 71 -0.419 -8.245 -2.713 1.00 10.00 H new ATOM 0 HG2 PRO A 71 0.003 -10.612 -4.580 1.00 10.00 H new ATOM 0 HG3 PRO A 71 0.583 -8.968 -4.760 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.233 -10.923 -3.804 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.364 -9.278 -3.214 1.00 10.00 H new ATOM 1106 N LYS A 72 -0.740 -12.465 -2.237 1.00 10.00 N ATOM 1107 CA LYS A 72 -1.501 -13.691 -2.112 1.00 10.00 C ATOM 1108 C LYS A 72 -1.336 -14.361 -0.742 1.00 10.00 C ATOM 1109 O LYS A 72 -2.254 -15.027 -0.274 1.00 10.00 O ATOM 1110 CB LYS A 72 -1.147 -14.642 -3.259 1.00 10.00 C ATOM 1111 CG LYS A 72 0.309 -15.136 -3.254 1.00 10.00 C ATOM 1112 CD LYS A 72 0.493 -16.203 -4.340 1.00 10.00 C ATOM 1113 CE LYS A 72 1.937 -16.725 -4.330 1.00 10.00 C ATOM 1114 NZ LYS A 72 2.139 -17.822 -5.299 1.00 10.00 N ATOM 0 H LYS A 72 -0.006 -12.504 -2.944 1.00 10.00 H new ATOM 0 HA LYS A 72 -2.558 -13.433 -2.183 1.00 10.00 H new ATOM 0 HB2 LYS A 72 -1.810 -15.506 -3.215 1.00 10.00 H new ATOM 0 HB3 LYS A 72 -1.343 -14.138 -4.205 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.988 -14.302 -3.431 1.00 10.00 H new ATOM 0 HG3 LYS A 72 0.560 -15.549 -2.277 1.00 10.00 H new ATOM 0 HD2 LYS A 72 -0.201 -17.027 -4.172 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.257 -15.782 -5.317 1.00 10.00 H new ATOM 0 HE2 LYS A 72 2.619 -15.907 -4.562 1.00 10.00 H new ATOM 0 HE3 LYS A 72 2.188 -17.075 -3.329 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 3.127 -18.144 -5.258 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 1.507 -18.614 -5.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 1.925 -17.482 -6.258 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.166 -14.243 -0.104 1.00 10.00 N ATOM 1129 CA LYS A 73 0.043 -14.896 1.184 1.00 10.00 C ATOM 1130 C LYS A 73 -0.713 -14.116 2.251 1.00 10.00 C ATOM 1131 O LYS A 73 -1.351 -14.702 3.123 1.00 10.00 O ATOM 1132 CB LYS A 73 1.539 -15.012 1.512 1.00 10.00 C ATOM 1133 CG LYS A 73 1.757 -15.778 2.827 1.00 10.00 C ATOM 1134 CD LYS A 73 3.249 -16.019 3.092 1.00 10.00 C ATOM 1135 CE LYS A 73 3.433 -16.765 4.424 1.00 10.00 C ATOM 1136 NZ LYS A 73 4.855 -17.028 4.731 1.00 10.00 N ATOM 0 H LYS A 73 0.632 -13.712 -0.453 1.00 10.00 H new ATOM 0 HA LYS A 73 -0.342 -15.915 1.148 1.00 10.00 H new ATOM 0 HB2 LYS A 73 2.055 -15.524 0.699 1.00 10.00 H new ATOM 0 HB3 LYS A 73 1.976 -14.017 1.590 1.00 10.00 H new ATOM 0 HG2 LYS A 73 1.325 -15.215 3.654 1.00 10.00 H new ATOM 0 HG3 LYS A 73 1.234 -16.733 2.785 1.00 10.00 H new ATOM 0 HD2 LYS A 73 3.682 -16.600 2.278 1.00 10.00 H new ATOM 0 HD3 LYS A 73 3.780 -15.067 3.122 1.00 10.00 H new ATOM 0 HE2 LYS A 73 2.993 -16.178 5.230 1.00 10.00 H new ATOM 0 HE3 LYS A 73 2.892 -17.710 4.386 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 4.927 -17.532 5.638 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 5.271 -17.611 3.977 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 5.369 -16.126 4.795 1.00 10.00 H new ATOM 1150 N TYR A 74 -0.625 -12.787 2.192 1.00 10.00 N ATOM 1151 CA TYR A 74 -1.341 -11.946 3.132 1.00 10.00 C ATOM 1152 C TYR A 74 -2.847 -12.081 2.927 1.00 10.00 C ATOM 1153 O TYR A 74 -3.568 -12.372 3.884 1.00 10.00 O ATOM 1154 CB TYR A 74 -0.829 -10.495 3.048 1.00 10.00 C ATOM 1155 CG TYR A 74 -0.079 -10.047 4.290 1.00 10.00 C ATOM 1156 CD1 TYR A 74 0.804 -10.940 4.923 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -0.399 -8.828 4.920 1.00 10.00 C ATOM 1158 CE1 TYR A 74 1.197 -10.708 6.247 1.00 10.00 C ATOM 1159 CE2 TYR A 74 0.137 -8.528 6.185 1.00 10.00 C ATOM 1160 CZ TYR A 74 0.947 -9.465 6.847 1.00 10.00 C ATOM 1161 OH TYR A 74 1.468 -9.174 8.070 1.00 10.00 O ATOM 0 H TYR A 74 -0.067 -12.279 1.506 1.00 10.00 H new ATOM 0 HA TYR A 74 -1.145 -12.279 4.151 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -0.174 -10.398 2.182 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -1.675 -9.828 2.883 1.00 10.00 H new ATOM 0 HD1 TYR A 74 1.178 -11.802 4.390 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -1.056 -8.124 4.431 1.00 10.00 H new ATOM 0 HE1 TYR A 74 1.693 -11.487 6.807 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -0.075 -7.576 6.648 1.00 10.00 H new ATOM 0 HH TYR A 74 2.076 -9.892 8.346 1.00 10.00 H new ATOM 1171 N ILE A 75 -3.309 -11.852 1.701 1.00 10.00 N ATOM 1172 CA ILE A 75 -4.705 -11.836 1.301 1.00 10.00 C ATOM 1173 C ILE A 75 -4.887 -12.966 0.273 1.00 10.00 C ATOM 1174 O ILE A 75 -4.571 -12.782 -0.900 1.00 10.00 O ATOM 1175 CB ILE A 75 -5.029 -10.444 0.717 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -4.833 -9.319 1.754 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -6.478 -10.390 0.215 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -4.515 -7.981 1.090 1.00 10.00 C ATOM 0 H ILE A 75 -2.681 -11.663 0.920 1.00 10.00 H new ATOM 0 HA ILE A 75 -5.388 -12.004 2.133 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.335 -10.287 -0.109 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -5.736 -9.220 2.357 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -4.024 -9.588 2.433 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -6.685 -9.400 -0.192 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -6.622 -11.140 -0.563 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -7.158 -10.591 1.043 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -4.385 -7.217 1.856 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -3.598 -8.072 0.509 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.336 -7.698 0.431 1.00 10.00 H new ATOM 1190 N PRO A 76 -5.364 -14.155 0.670 1.00 10.00 N ATOM 1191 CA PRO A 76 -5.485 -15.278 -0.247 1.00 10.00 C ATOM 1192 C PRO A 76 -6.596 -15.036 -1.272 1.00 10.00 C ATOM 1193 O PRO A 76 -7.755 -15.361 -1.026 1.00 10.00 O ATOM 1194 CB PRO A 76 -5.720 -16.507 0.636 1.00 10.00 C ATOM 1195 CG PRO A 76 -6.346 -15.932 1.905 1.00 10.00 C ATOM 1196 CD PRO A 76 -5.719 -14.543 2.025 1.00 10.00 C ATOM 0 HA PRO A 76 -4.589 -15.421 -0.852 1.00 10.00 H new ATOM 0 HB2 PRO A 76 -6.383 -17.225 0.153 1.00 10.00 H new ATOM 0 HB3 PRO A 76 -4.787 -17.029 0.851 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -7.432 -15.875 1.825 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -6.122 -16.548 2.776 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -6.420 -13.833 2.465 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -4.840 -14.564 2.669 1.00 10.00 H new ATOM 1204 N GLY A 77 -6.220 -14.492 -2.434 1.00 10.00 N ATOM 1205 CA GLY A 77 -7.090 -14.352 -3.598 1.00 10.00 C ATOM 1206 C GLY A 77 -7.266 -12.886 -3.984 1.00 10.00 C ATOM 1207 O GLY A 77 -8.382 -12.373 -4.009 1.00 10.00 O ATOM 0 H GLY A 77 -5.280 -14.129 -2.591 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -6.669 -14.904 -4.438 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -8.063 -14.793 -3.383 1.00 10.00 H new ATOM 1211 N THR A 78 -6.157 -12.212 -4.290 1.00 10.00 N ATOM 1212 CA THR A 78 -6.131 -10.835 -4.754 1.00 10.00 C ATOM 1213 C THR A 78 -6.256 -10.791 -6.278 1.00 10.00 C ATOM 1214 O THR A 78 -6.278 -11.827 -6.946 1.00 10.00 O ATOM 1215 CB THR A 78 -4.782 -10.243 -4.313 1.00 10.00 C ATOM 1216 OG1 THR A 78 -3.746 -11.159 -4.627 1.00 10.00 O ATOM 1217 CG2 THR A 78 -4.783 -9.996 -2.809 1.00 10.00 C ATOM 0 H THR A 78 -5.228 -12.626 -4.218 1.00 10.00 H new ATOM 0 HA THR A 78 -6.961 -10.265 -4.337 1.00 10.00 H new ATOM 0 HB THR A 78 -4.622 -9.299 -4.833 1.00 10.00 H new ATOM 0 HG1 THR A 78 -3.451 -11.015 -5.550 1.00 10.00 H new ATOM 0 HG21 THR A 78 -3.823 -9.577 -2.508 1.00 10.00 H new ATOM 0 HG22 THR A 78 -5.580 -9.296 -2.556 1.00 10.00 H new ATOM 0 HG23 THR A 78 -4.947 -10.938 -2.286 1.00 10.00 H new ATOM 1225 N LYS A 79 -6.231 -9.581 -6.845 1.00 10.00 N ATOM 1226 CA LYS A 79 -5.689 -9.403 -8.185 1.00 10.00 C ATOM 1227 C LYS A 79 -4.211 -9.837 -8.191 1.00 10.00 C ATOM 1228 O LYS A 79 -3.620 -10.063 -7.136 1.00 10.00 O ATOM 1229 CB LYS A 79 -5.893 -7.946 -8.623 1.00 10.00 C ATOM 1230 CG LYS A 79 -7.369 -7.665 -8.952 1.00 10.00 C ATOM 1231 CD LYS A 79 -7.685 -8.028 -10.413 1.00 10.00 C ATOM 1232 CE LYS A 79 -9.177 -7.829 -10.719 1.00 10.00 C ATOM 1233 NZ LYS A 79 -9.476 -7.989 -12.159 1.00 10.00 N ATOM 0 H LYS A 79 -6.574 -8.728 -6.403 1.00 10.00 H new ATOM 0 HA LYS A 79 -6.211 -10.029 -8.909 1.00 10.00 H new ATOM 0 HB2 LYS A 79 -5.560 -7.275 -7.831 1.00 10.00 H new ATOM 0 HB3 LYS A 79 -5.277 -7.737 -9.497 1.00 10.00 H new ATOM 0 HG2 LYS A 79 -8.010 -8.239 -8.284 1.00 10.00 H new ATOM 0 HG3 LYS A 79 -7.590 -6.612 -8.779 1.00 10.00 H new ATOM 0 HD2 LYS A 79 -7.087 -7.410 -11.083 1.00 10.00 H new ATOM 0 HD3 LYS A 79 -7.406 -9.065 -10.602 1.00 10.00 H new ATOM 0 HE2 LYS A 79 -9.763 -8.547 -10.146 1.00 10.00 H new ATOM 0 HE3 LYS A 79 -9.484 -6.835 -10.394 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 -10.493 -7.846 -12.320 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 -8.937 -7.287 -12.706 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 -9.208 -8.946 -12.465 1.00 10.00 H new ATOM 1247 N MET A 80 -3.639 -10.032 -9.383 1.00 10.00 N ATOM 1248 CA MET A 80 -2.473 -10.890 -9.564 1.00 10.00 C ATOM 1249 C MET A 80 -1.183 -10.365 -8.880 1.00 10.00 C ATOM 1250 O MET A 80 -0.892 -10.825 -7.780 1.00 10.00 O ATOM 1251 CB MET A 80 -2.408 -11.336 -11.034 1.00 10.00 C ATOM 1252 CG MET A 80 -1.286 -12.345 -11.317 1.00 10.00 C ATOM 1253 SD MET A 80 -0.938 -12.634 -13.072 1.00 10.00 S ATOM 1254 CE MET A 80 -2.557 -13.176 -13.662 1.00 10.00 C ATOM 0 H MET A 80 -3.973 -9.599 -10.244 1.00 10.00 H new ATOM 0 HA MET A 80 -2.581 -11.814 -8.996 1.00 10.00 H new ATOM 0 HB2 MET A 80 -3.364 -11.779 -11.314 1.00 10.00 H new ATOM 0 HB3 MET A 80 -2.266 -10.459 -11.666 1.00 10.00 H new ATOM 0 HG2 MET A 80 -0.373 -11.995 -10.834 1.00 10.00 H new ATOM 0 HG3 MET A 80 -1.548 -13.296 -10.853 1.00 10.00 H new ATOM 0 HE1 MET A 80 -2.482 -13.476 -14.707 1.00 10.00 H new ATOM 0 HE2 MET A 80 -2.897 -14.022 -13.065 1.00 10.00 H new ATOM 0 HE3 MET A 80 -3.270 -12.357 -13.571 1.00 10.00 H new ATOM 1264 N ILE A 81 -0.348 -9.469 -9.430 1.00 10.00 N ATOM 1265 CA ILE A 81 -0.251 -8.973 -10.803 1.00 10.00 C ATOM 1266 C ILE A 81 1.202 -8.596 -11.092 1.00 10.00 C ATOM 1267 O ILE A 81 1.781 -9.087 -12.058 1.00 10.00 O ATOM 1268 CB ILE A 81 -1.265 -7.851 -11.105 1.00 10.00 C ATOM 1269 CG1 ILE A 81 -1.268 -7.571 -12.619 1.00 10.00 C ATOM 1270 CG2 ILE A 81 -1.009 -6.566 -10.302 1.00 10.00 C ATOM 1271 CD1 ILE A 81 -2.494 -6.771 -13.065 1.00 10.00 C ATOM 0 H ILE A 81 0.360 -9.024 -8.846 1.00 10.00 H new ATOM 0 HA ILE A 81 -0.534 -9.766 -11.495 1.00 10.00 H new ATOM 0 HB ILE A 81 -2.248 -8.198 -10.788 1.00 10.00 H new ATOM 0 HG12 ILE A 81 -0.364 -7.023 -12.886 1.00 10.00 H new ATOM 0 HG13 ILE A 81 -1.239 -8.517 -13.160 1.00 10.00 H new ATOM 0 HG21 ILE A 81 -1.758 -5.819 -10.563 1.00 10.00 H new ATOM 0 HG22 ILE A 81 -1.071 -6.785 -9.236 1.00 10.00 H new ATOM 0 HG23 ILE A 81 -0.016 -6.182 -10.537 1.00 10.00 H new ATOM 0 HD11 ILE A 81 -2.446 -6.601 -14.141 1.00 10.00 H new ATOM 0 HD12 ILE A 81 -3.399 -7.329 -12.826 1.00 10.00 H new ATOM 0 HD13 ILE A 81 -2.511 -5.812 -12.547 1.00 10.00 H new ATOM 1283 N PHE A 82 1.818 -7.808 -10.209 1.00 10.00 N ATOM 1284 CA PHE A 82 3.256 -7.878 -10.017 1.00 10.00 C ATOM 1285 C PHE A 82 3.485 -8.945 -8.944 1.00 10.00 C ATOM 1286 O PHE A 82 2.577 -9.217 -8.158 1.00 10.00 O ATOM 1287 CB PHE A 82 3.833 -6.497 -9.669 1.00 10.00 C ATOM 1288 CG PHE A 82 3.700 -6.042 -8.226 1.00 10.00 C ATOM 1289 CD1 PHE A 82 2.456 -5.625 -7.713 1.00 10.00 C ATOM 1290 CD2 PHE A 82 4.856 -5.916 -7.432 1.00 10.00 C ATOM 1291 CE1 PHE A 82 2.364 -5.119 -6.403 1.00 10.00 C ATOM 1292 CE2 PHE A 82 4.766 -5.369 -6.143 1.00 10.00 C ATOM 1293 CZ PHE A 82 3.521 -4.989 -5.617 1.00 10.00 C ATOM 0 H PHE A 82 1.343 -7.121 -9.623 1.00 10.00 H new ATOM 0 HA PHE A 82 3.787 -8.163 -10.925 1.00 10.00 H new ATOM 0 HB2 PHE A 82 4.892 -6.496 -9.929 1.00 10.00 H new ATOM 0 HB3 PHE A 82 3.348 -5.756 -10.305 1.00 10.00 H new ATOM 0 HD1 PHE A 82 1.570 -5.694 -8.327 1.00 10.00 H new ATOM 0 HD2 PHE A 82 5.812 -6.240 -7.815 1.00 10.00 H new ATOM 0 HE1 PHE A 82 1.404 -4.831 -6.002 1.00 10.00 H new ATOM 0 HE2 PHE A 82 5.660 -5.239 -5.552 1.00 10.00 H new ATOM 0 HZ PHE A 82 3.453 -4.598 -4.612 1.00 10.00 H new ATOM 1303 N ALA A 83 4.652 -9.597 -8.951 1.00 10.00 N ATOM 1304 CA ALA A 83 4.929 -10.699 -8.036 1.00 10.00 C ATOM 1305 C ALA A 83 4.940 -10.198 -6.590 1.00 10.00 C ATOM 1306 O ALA A 83 4.253 -10.740 -5.727 1.00 10.00 O ATOM 1307 CB ALA A 83 6.261 -11.358 -8.408 1.00 10.00 C ATOM 0 H ALA A 83 5.420 -9.376 -9.585 1.00 10.00 H new ATOM 0 HA ALA A 83 4.141 -11.447 -8.122 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.464 -12.180 -7.722 1.00 10.00 H new ATOM 0 HB2 ALA A 83 6.206 -11.741 -9.427 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.062 -10.622 -8.340 1.00 10.00 H new ATOM 1313 N GLY A 84 5.744 -9.165 -6.343 1.00 10.00 N ATOM 1314 CA GLY A 84 5.915 -8.537 -5.048 1.00 10.00 C ATOM 1315 C GLY A 84 7.184 -7.688 -5.109 1.00 10.00 C ATOM 1316 O GLY A 84 8.009 -7.871 -6.009 1.00 10.00 O ATOM 0 H GLY A 84 6.312 -8.732 -7.071 1.00 10.00 H new ATOM 0 HA2 GLY A 84 5.051 -7.918 -4.806 1.00 10.00 H new ATOM 0 HA3 GLY A 84 5.996 -9.291 -4.265 1.00 10.00 H new ATOM 1320 N ILE A 85 7.355 -6.746 -4.180 1.00 10.00 N ATOM 1321 CA ILE A 85 8.595 -5.998 -4.048 1.00 10.00 C ATOM 1322 C ILE A 85 9.616 -6.950 -3.418 1.00 10.00 C ATOM 1323 O ILE A 85 9.758 -7.026 -2.196 1.00 10.00 O ATOM 1324 CB ILE A 85 8.406 -4.720 -3.213 1.00 10.00 C ATOM 1325 CG1 ILE A 85 7.275 -3.784 -3.676 1.00 10.00 C ATOM 1326 CG2 ILE A 85 9.725 -3.935 -3.159 1.00 10.00 C ATOM 1327 CD1 ILE A 85 7.501 -3.147 -5.053 1.00 10.00 C ATOM 0 H ILE A 85 6.638 -6.485 -3.503 1.00 10.00 H new ATOM 0 HA ILE A 85 8.943 -5.654 -5.022 1.00 10.00 H new ATOM 0 HB ILE A 85 8.105 -5.072 -2.226 1.00 10.00 H new ATOM 0 HG12 ILE A 85 6.341 -4.346 -3.698 1.00 10.00 H new ATOM 0 HG13 ILE A 85 7.152 -2.991 -2.938 1.00 10.00 H new ATOM 0 HG21 ILE A 85 9.586 -3.031 -2.567 1.00 10.00 H new ATOM 0 HG22 ILE A 85 10.498 -4.553 -2.702 1.00 10.00 H new ATOM 0 HG23 ILE A 85 10.028 -3.663 -4.170 1.00 10.00 H new ATOM 0 HD11 ILE A 85 6.656 -2.504 -5.299 1.00 10.00 H new ATOM 0 HD12 ILE A 85 8.415 -2.554 -5.034 1.00 10.00 H new ATOM 0 HD13 ILE A 85 7.592 -3.930 -5.806 1.00 10.00 H new ATOM 1339 N LYS A 86 10.313 -7.704 -4.268 1.00 10.00 N ATOM 1340 CA LYS A 86 11.286 -8.702 -3.847 1.00 10.00 C ATOM 1341 C LYS A 86 12.386 -8.077 -2.976 1.00 10.00 C ATOM 1342 O LYS A 86 12.867 -8.696 -2.031 1.00 10.00 O ATOM 1343 CB LYS A 86 11.847 -9.398 -5.098 1.00 10.00 C ATOM 1344 CG LYS A 86 12.397 -10.794 -4.779 1.00 10.00 C ATOM 1345 CD LYS A 86 12.821 -11.507 -6.072 1.00 10.00 C ATOM 1346 CE LYS A 86 13.225 -12.959 -5.775 1.00 10.00 C ATOM 1347 NZ LYS A 86 13.598 -13.700 -7.000 1.00 10.00 N ATOM 0 H LYS A 86 10.214 -7.635 -5.281 1.00 10.00 H new ATOM 0 HA LYS A 86 10.803 -9.451 -3.220 1.00 10.00 H new ATOM 0 HB2 LYS A 86 11.062 -9.480 -5.850 1.00 10.00 H new ATOM 0 HB3 LYS A 86 12.639 -8.786 -5.529 1.00 10.00 H new ATOM 0 HG2 LYS A 86 13.249 -10.711 -4.105 1.00 10.00 H new ATOM 0 HG3 LYS A 86 11.638 -11.382 -4.263 1.00 10.00 H new ATOM 0 HD2 LYS A 86 12.001 -11.491 -6.790 1.00 10.00 H new ATOM 0 HD3 LYS A 86 13.656 -10.977 -6.530 1.00 10.00 H new ATOM 0 HE2 LYS A 86 14.064 -12.965 -5.080 1.00 10.00 H new ATOM 0 HE3 LYS A 86 12.398 -13.470 -5.281 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 13.863 -14.674 -6.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 12.790 -13.718 -7.654 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 14.404 -13.229 -7.459 1.00 10.00 H new ATOM 1361 N LYS A 87 12.792 -6.846 -3.299 1.00 10.00 N ATOM 1362 CA LYS A 87 13.809 -6.121 -2.554 1.00 10.00 C ATOM 1363 C LYS A 87 13.257 -5.588 -1.229 1.00 10.00 C ATOM 1364 O LYS A 87 12.588 -4.556 -1.184 1.00 10.00 O ATOM 1365 CB LYS A 87 14.372 -4.994 -3.425 1.00 10.00 C ATOM 1366 CG LYS A 87 15.473 -5.527 -4.349 1.00 10.00 C ATOM 1367 CD LYS A 87 15.669 -4.532 -5.491 1.00 10.00 C ATOM 1368 CE LYS A 87 16.904 -4.838 -6.341 1.00 10.00 C ATOM 1369 NZ LYS A 87 16.856 -4.078 -7.607 1.00 10.00 N ATOM 0 H LYS A 87 12.417 -6.326 -4.092 1.00 10.00 H new ATOM 0 HA LYS A 87 14.619 -6.806 -2.302 1.00 10.00 H new ATOM 0 HB2 LYS A 87 13.572 -4.552 -4.020 1.00 10.00 H new ATOM 0 HB3 LYS A 87 14.773 -4.203 -2.792 1.00 10.00 H new ATOM 0 HG2 LYS A 87 16.403 -5.656 -3.795 1.00 10.00 H new ATOM 0 HG3 LYS A 87 15.197 -6.506 -4.742 1.00 10.00 H new ATOM 0 HD2 LYS A 87 14.785 -4.539 -6.128 1.00 10.00 H new ATOM 0 HD3 LYS A 87 15.757 -3.527 -5.079 1.00 10.00 H new ATOM 0 HE2 LYS A 87 17.807 -4.580 -5.788 1.00 10.00 H new ATOM 0 HE3 LYS A 87 16.953 -5.906 -6.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 17.700 -4.295 -8.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 16.003 -4.344 -8.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 16.831 -3.059 -7.400 1.00 10.00 H new ATOM 1383 N LYS A 88 13.613 -6.261 -0.135 1.00 10.00 N ATOM 1384 CA LYS A 88 13.352 -5.810 1.225 1.00 10.00 C ATOM 1385 C LYS A 88 13.712 -4.328 1.415 1.00 10.00 C ATOM 1386 O LYS A 88 12.939 -3.589 2.016 1.00 10.00 O ATOM 1387 CB LYS A 88 14.098 -6.732 2.197 1.00 10.00 C ATOM 1388 CG LYS A 88 13.816 -6.388 3.665 1.00 10.00 C ATOM 1389 CD LYS A 88 14.346 -7.507 4.570 1.00 10.00 C ATOM 1390 CE LYS A 88 14.207 -7.093 6.042 1.00 10.00 C ATOM 1391 NZ LYS A 88 14.533 -8.191 6.973 1.00 10.00 N ATOM 0 H LYS A 88 14.102 -7.155 -0.175 1.00 10.00 H new ATOM 0 HA LYS A 88 12.284 -5.873 1.434 1.00 10.00 H new ATOM 0 HB2 LYS A 88 13.809 -7.766 2.007 1.00 10.00 H new ATOM 0 HB3 LYS A 88 15.170 -6.662 2.010 1.00 10.00 H new ATOM 0 HG2 LYS A 88 14.291 -5.442 3.924 1.00 10.00 H new ATOM 0 HG3 LYS A 88 12.745 -6.260 3.819 1.00 10.00 H new ATOM 0 HD2 LYS A 88 13.792 -8.428 4.388 1.00 10.00 H new ATOM 0 HD3 LYS A 88 15.391 -7.712 4.337 1.00 10.00 H new ATOM 0 HE2 LYS A 88 14.863 -6.246 6.241 1.00 10.00 H new ATOM 0 HE3 LYS A 88 13.187 -6.756 6.226 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 14.423 -7.860 7.953 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 13.891 -8.991 6.804 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 15.515 -8.497 6.819 1.00 10.00 H new ATOM 1405 N THR A 89 14.857 -3.881 0.882 1.00 10.00 N ATOM 1406 CA THR A 89 15.216 -2.462 0.919 1.00 10.00 C ATOM 1407 C THR A 89 14.082 -1.628 0.341 1.00 10.00 C ATOM 1408 O THR A 89 13.557 -0.760 1.027 1.00 10.00 O ATOM 1409 CB THR A 89 16.569 -2.138 0.239 1.00 10.00 C ATOM 1410 OG1 THR A 89 16.507 -1.067 -0.692 1.00 10.00 O ATOM 1411 CG2 THR A 89 17.226 -3.325 -0.475 1.00 10.00 C ATOM 0 H THR A 89 15.545 -4.479 0.424 1.00 10.00 H new ATOM 0 HA THR A 89 15.361 -2.199 1.967 1.00 10.00 H new ATOM 0 HB THR A 89 17.181 -1.850 1.094 1.00 10.00 H new ATOM 0 HG1 THR A 89 16.304 -0.233 -0.218 1.00 10.00 H new ATOM 0 HG21 THR A 89 18.168 -3.005 -0.921 1.00 10.00 H new ATOM 0 HG22 THR A 89 17.417 -4.122 0.244 1.00 10.00 H new ATOM 0 HG23 THR A 89 16.561 -3.693 -1.256 1.00 10.00 H new ATOM 1419 N GLU A 90 13.683 -1.924 -0.899 1.00 10.00 N ATOM 1420 CA GLU A 90 12.715 -1.131 -1.625 1.00 10.00 C ATOM 1421 C GLU A 90 11.454 -1.026 -0.775 1.00 10.00 C ATOM 1422 O GLU A 90 10.884 0.051 -0.642 1.00 10.00 O ATOM 1423 CB GLU A 90 12.413 -1.746 -3.004 1.00 10.00 C ATOM 1424 CG GLU A 90 13.499 -1.506 -4.068 1.00 10.00 C ATOM 1425 CD GLU A 90 13.113 -2.021 -5.457 1.00 10.00 C ATOM 1426 OE1 GLU A 90 11.900 -2.210 -5.709 1.00 10.00 O ATOM 1427 OE2 GLU A 90 14.033 -2.211 -6.284 1.00 10.00 O ATOM 0 H GLU A 90 14.031 -2.728 -1.422 1.00 10.00 H new ATOM 0 HA GLU A 90 13.117 -0.135 -1.811 1.00 10.00 H new ATOM 0 HB2 GLU A 90 12.272 -2.820 -2.884 1.00 10.00 H new ATOM 0 HB3 GLU A 90 11.470 -1.339 -3.369 1.00 10.00 H new ATOM 0 HG2 GLU A 90 13.707 -0.438 -4.130 1.00 10.00 H new ATOM 0 HG3 GLU A 90 14.421 -1.993 -3.751 1.00 10.00 H new ATOM 1434 N ARG A 91 11.048 -2.142 -0.165 1.00 10.00 N ATOM 1435 CA ARG A 91 9.935 -2.143 0.765 1.00 10.00 C ATOM 1436 C ARG A 91 10.154 -1.164 1.917 1.00 10.00 C ATOM 1437 O ARG A 91 9.347 -0.258 2.099 1.00 10.00 O ATOM 1438 CB ARG A 91 9.688 -3.557 1.294 1.00 10.00 C ATOM 1439 CG ARG A 91 9.209 -4.475 0.173 1.00 10.00 C ATOM 1440 CD ARG A 91 8.594 -5.770 0.702 1.00 10.00 C ATOM 1441 NE ARG A 91 9.491 -6.503 1.603 1.00 10.00 N ATOM 1442 CZ ARG A 91 9.887 -7.770 1.416 1.00 10.00 C ATOM 1443 NH1 ARG A 91 10.000 -8.297 0.197 1.00 10.00 N ATOM 1444 NH2 ARG A 91 10.157 -8.542 2.469 1.00 10.00 N ATOM 0 H ARG A 91 11.480 -3.055 -0.304 1.00 10.00 H new ATOM 0 HA ARG A 91 9.050 -1.809 0.223 1.00 10.00 H new ATOM 0 HB2 ARG A 91 10.605 -3.954 1.729 1.00 10.00 H new ATOM 0 HB3 ARG A 91 8.944 -3.528 2.090 1.00 10.00 H new ATOM 0 HG2 ARG A 91 8.473 -3.948 -0.434 1.00 10.00 H new ATOM 0 HG3 ARG A 91 10.048 -4.715 -0.480 1.00 10.00 H new ATOM 0 HD2 ARG A 91 7.669 -5.538 1.229 1.00 10.00 H new ATOM 0 HD3 ARG A 91 8.330 -6.411 -0.139 1.00 10.00 H new ATOM 0 HE ARG A 91 9.837 -6.015 2.429 1.00 10.00 H new ATOM 0 HH11 ARG A 91 9.783 -7.733 -0.625 1.00 10.00 H new ATOM 0 HH12 ARG A 91 10.304 -9.264 0.086 1.00 10.00 H new ATOM 0 HH21 ARG A 91 10.062 -8.168 3.413 1.00 10.00 H new ATOM 0 HH22 ARG A 91 10.459 -9.506 2.330 1.00 10.00 H new ATOM 1458 N GLU A 92 11.204 -1.344 2.720 1.00 10.00 N ATOM 1459 CA GLU A 92 11.448 -0.488 3.874 1.00 10.00 C ATOM 1460 C GLU A 92 11.523 0.991 3.476 1.00 10.00 C ATOM 1461 O GLU A 92 10.926 1.851 4.124 1.00 10.00 O ATOM 1462 CB GLU A 92 12.733 -0.940 4.571 1.00 10.00 C ATOM 1463 CG GLU A 92 12.561 -2.344 5.166 1.00 10.00 C ATOM 1464 CD GLU A 92 13.784 -2.800 5.948 1.00 10.00 C ATOM 1465 OE1 GLU A 92 14.509 -1.910 6.444 1.00 10.00 O ATOM 1466 OE2 GLU A 92 13.967 -4.035 6.034 1.00 10.00 O ATOM 0 H GLU A 92 11.899 -2.079 2.589 1.00 10.00 H new ATOM 0 HA GLU A 92 10.611 -0.583 4.566 1.00 10.00 H new ATOM 0 HB2 GLU A 92 13.558 -0.940 3.859 1.00 10.00 H new ATOM 0 HB3 GLU A 92 12.992 -0.234 5.360 1.00 10.00 H new ATOM 0 HG2 GLU A 92 11.690 -2.353 5.822 1.00 10.00 H new ATOM 0 HG3 GLU A 92 12.362 -3.054 4.363 1.00 10.00 H new ATOM 1473 N ASP A 93 12.279 1.279 2.418 1.00 10.00 N ATOM 1474 CA ASP A 93 12.476 2.593 1.836 1.00 10.00 C ATOM 1475 C ASP A 93 11.117 3.206 1.503 1.00 10.00 C ATOM 1476 O ASP A 93 10.739 4.266 2.007 1.00 10.00 O ATOM 1477 CB ASP A 93 13.391 2.433 0.605 1.00 10.00 C ATOM 1478 CG ASP A 93 14.817 1.992 0.952 1.00 10.00 C ATOM 1479 OD1 ASP A 93 15.290 2.408 2.034 1.00 10.00 O ATOM 1480 OD2 ASP A 93 15.421 1.250 0.141 1.00 10.00 O ATOM 0 H ASP A 93 12.798 0.555 1.920 1.00 10.00 H new ATOM 0 HA ASP A 93 12.963 3.279 2.529 1.00 10.00 H new ATOM 0 HB2 ASP A 93 12.949 1.703 -0.073 1.00 10.00 H new ATOM 0 HB3 ASP A 93 13.433 3.381 0.069 1.00 10.00 H new ATOM 1485 N LEU A 94 10.349 2.487 0.688 1.00 10.00 N ATOM 1486 CA LEU A 94 8.995 2.852 0.324 1.00 10.00 C ATOM 1487 C LEU A 94 8.143 3.140 1.557 1.00 10.00 C ATOM 1488 O LEU A 94 7.557 4.211 1.667 1.00 10.00 O ATOM 1489 CB LEU A 94 8.412 1.731 -0.530 1.00 10.00 C ATOM 1490 CG LEU A 94 7.036 2.081 -1.085 1.00 10.00 C ATOM 1491 CD1 LEU A 94 7.068 3.215 -2.100 1.00 10.00 C ATOM 1492 CD2 LEU A 94 6.531 0.845 -1.811 1.00 10.00 C ATOM 0 H LEU A 94 10.663 1.618 0.257 1.00 10.00 H new ATOM 0 HA LEU A 94 9.002 3.776 -0.254 1.00 10.00 H new ATOM 0 HB2 LEU A 94 9.090 1.516 -1.356 1.00 10.00 H new ATOM 0 HB3 LEU A 94 8.340 0.822 0.068 1.00 10.00 H new ATOM 0 HG LEU A 94 6.406 2.398 -0.254 1.00 10.00 H new ATOM 0 HD11 LEU A 94 6.057 3.414 -2.455 1.00 10.00 H new ATOM 0 HD12 LEU A 94 7.471 4.112 -1.630 1.00 10.00 H new ATOM 0 HD13 LEU A 94 7.699 2.932 -2.942 1.00 10.00 H new ATOM 0 HD21 LEU A 94 5.544 1.046 -2.228 1.00 10.00 H new ATOM 0 HD22 LEU A 94 7.220 0.589 -2.616 1.00 10.00 H new ATOM 0 HD23 LEU A 94 6.466 0.013 -1.110 1.00 10.00 H new ATOM 1504 N ILE A 95 8.060 2.193 2.486 1.00 10.00 N ATOM 1505 CA ILE A 95 7.236 2.302 3.681 1.00 10.00 C ATOM 1506 C ILE A 95 7.622 3.549 4.481 1.00 10.00 C ATOM 1507 O ILE A 95 6.743 4.301 4.908 1.00 10.00 O ATOM 1508 CB ILE A 95 7.344 0.992 4.478 1.00 10.00 C ATOM 1509 CG1 ILE A 95 6.621 -0.126 3.701 1.00 10.00 C ATOM 1510 CG2 ILE A 95 6.754 1.119 5.888 1.00 10.00 C ATOM 1511 CD1 ILE A 95 7.090 -1.515 4.134 1.00 10.00 C ATOM 0 H ILE A 95 8.573 1.313 2.427 1.00 10.00 H new ATOM 0 HA ILE A 95 6.186 2.435 3.421 1.00 10.00 H new ATOM 0 HB ILE A 95 8.401 0.752 4.596 1.00 10.00 H new ATOM 0 HG12 ILE A 95 5.546 -0.040 3.858 1.00 10.00 H new ATOM 0 HG13 ILE A 95 6.798 0.001 2.633 1.00 10.00 H new ATOM 0 HG21 ILE A 95 6.854 0.168 6.411 1.00 10.00 H new ATOM 0 HG22 ILE A 95 7.289 1.894 6.438 1.00 10.00 H new ATOM 0 HG23 ILE A 95 5.699 1.386 5.818 1.00 10.00 H new ATOM 0 HD11 ILE A 95 6.556 -2.274 3.562 1.00 10.00 H new ATOM 0 HD12 ILE A 95 8.161 -1.611 3.953 1.00 10.00 H new ATOM 0 HD13 ILE A 95 6.888 -1.652 5.196 1.00 10.00 H new ATOM 1523 N ALA A 96 8.925 3.791 4.656 1.00 10.00 N ATOM 1524 CA ALA A 96 9.417 5.000 5.302 1.00 10.00 C ATOM 1525 C ALA A 96 8.858 6.243 4.609 1.00 10.00 C ATOM 1526 O ALA A 96 8.335 7.138 5.276 1.00 10.00 O ATOM 1527 CB ALA A 96 10.947 5.011 5.327 1.00 10.00 C ATOM 0 H ALA A 96 9.661 3.154 4.353 1.00 10.00 H new ATOM 0 HA ALA A 96 9.069 5.012 6.335 1.00 10.00 H new ATOM 0 HB1 ALA A 96 11.296 5.922 5.813 1.00 10.00 H new ATOM 0 HB2 ALA A 96 11.308 4.143 5.879 1.00 10.00 H new ATOM 0 HB3 ALA A 96 11.328 4.976 4.306 1.00 10.00 H new ATOM 1533 N TYR A 97 8.925 6.293 3.273 1.00 10.00 N ATOM 1534 CA TYR A 97 8.270 7.373 2.546 1.00 10.00 C ATOM 1535 C TYR A 97 6.789 7.426 2.891 1.00 10.00 C ATOM 1536 O TYR A 97 6.319 8.480 3.301 1.00 10.00 O ATOM 1537 CB TYR A 97 8.451 7.267 1.030 1.00 10.00 C ATOM 1538 CG TYR A 97 7.445 8.046 0.194 1.00 10.00 C ATOM 1539 CD1 TYR A 97 7.203 9.409 0.454 1.00 10.00 C ATOM 1540 CD2 TYR A 97 6.619 7.374 -0.722 1.00 10.00 C ATOM 1541 CE1 TYR A 97 6.332 10.147 -0.365 1.00 10.00 C ATOM 1542 CE2 TYR A 97 5.631 8.086 -1.423 1.00 10.00 C ATOM 1543 CZ TYR A 97 5.547 9.480 -1.313 1.00 10.00 C ATOM 1544 OH TYR A 97 4.631 10.174 -2.045 1.00 10.00 O ATOM 0 H TYR A 97 9.415 5.614 2.690 1.00 10.00 H new ATOM 0 HA TYR A 97 8.754 8.297 2.862 1.00 10.00 H new ATOM 0 HB2 TYR A 97 9.453 7.613 0.776 1.00 10.00 H new ATOM 0 HB3 TYR A 97 8.395 6.216 0.748 1.00 10.00 H new ATOM 0 HD1 TYR A 97 7.690 9.890 1.289 1.00 10.00 H new ATOM 0 HD2 TYR A 97 6.743 6.314 -0.887 1.00 10.00 H new ATOM 0 HE1 TYR A 97 6.269 11.220 -0.264 1.00 10.00 H new ATOM 0 HE2 TYR A 97 4.931 7.555 -2.051 1.00 10.00 H new ATOM 0 HH TYR A 97 4.171 9.563 -2.658 1.00 10.00 H new ATOM 1554 N LEU A 98 6.041 6.337 2.695 1.00 10.00 N ATOM 1555 CA LEU A 98 4.595 6.367 2.890 1.00 10.00 C ATOM 1556 C LEU A 98 4.248 6.917 4.277 1.00 10.00 C ATOM 1557 O LEU A 98 3.289 7.677 4.411 1.00 10.00 O ATOM 1558 CB LEU A 98 3.920 4.992 2.734 1.00 10.00 C ATOM 1559 CG LEU A 98 4.161 4.215 1.434 1.00 10.00 C ATOM 1560 CD1 LEU A 98 3.596 2.797 1.585 1.00 10.00 C ATOM 1561 CD2 LEU A 98 3.486 4.868 0.232 1.00 10.00 C ATOM 0 H LEU A 98 6.412 5.432 2.404 1.00 10.00 H new ATOM 0 HA LEU A 98 4.213 7.018 2.103 1.00 10.00 H new ATOM 0 HB2 LEU A 98 4.246 4.364 3.563 1.00 10.00 H new ATOM 0 HB3 LEU A 98 2.845 5.133 2.844 1.00 10.00 H new ATOM 0 HG LEU A 98 5.237 4.204 1.258 1.00 10.00 H new ATOM 0 HD11 LEU A 98 3.764 2.239 0.664 1.00 10.00 H new ATOM 0 HD12 LEU A 98 4.096 2.292 2.412 1.00 10.00 H new ATOM 0 HD13 LEU A 98 2.526 2.851 1.787 1.00 10.00 H new ATOM 0 HD21 LEU A 98 3.687 4.279 -0.663 1.00 10.00 H new ATOM 0 HD22 LEU A 98 2.410 4.916 0.400 1.00 10.00 H new ATOM 0 HD23 LEU A 98 3.877 5.876 0.098 1.00 10.00 H new ATOM 1573 N LYS A 99 5.032 6.547 5.300 1.00 10.00 N ATOM 1574 CA LYS A 99 4.874 7.049 6.661 1.00 10.00 C ATOM 1575 C LYS A 99 4.840 8.569 6.634 1.00 10.00 C ATOM 1576 O LYS A 99 3.944 9.186 7.207 1.00 10.00 O ATOM 1577 CB LYS A 99 6.008 6.541 7.579 1.00 10.00 C ATOM 1578 CG LYS A 99 5.469 5.719 8.757 1.00 10.00 C ATOM 1579 CD LYS A 99 6.548 5.437 9.807 1.00 10.00 C ATOM 1580 CE LYS A 99 5.936 4.607 10.947 1.00 10.00 C ATOM 1581 NZ LYS A 99 6.952 3.841 11.692 1.00 10.00 N ATOM 0 H LYS A 99 5.800 5.883 5.198 1.00 10.00 H new ATOM 0 HA LYS A 99 3.935 6.675 7.069 1.00 10.00 H new ATOM 0 HB2 LYS A 99 6.699 5.931 6.998 1.00 10.00 H new ATOM 0 HB3 LYS A 99 6.575 7.391 7.959 1.00 10.00 H new ATOM 0 HG2 LYS A 99 4.642 6.254 9.223 1.00 10.00 H new ATOM 0 HG3 LYS A 99 5.069 4.775 8.387 1.00 10.00 H new ATOM 0 HD2 LYS A 99 7.381 4.898 9.355 1.00 10.00 H new ATOM 0 HD3 LYS A 99 6.948 6.373 10.196 1.00 10.00 H new ATOM 0 HE2 LYS A 99 5.409 5.270 11.633 1.00 10.00 H new ATOM 0 HE3 LYS A 99 5.196 3.920 10.536 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 6.481 3.172 12.334 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 7.550 3.315 11.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 7.543 4.494 12.245 1.00 10.00 H new ATOM 1595 N LYS A 100 5.810 9.159 5.939 1.00 10.00 N ATOM 1596 CA LYS A 100 5.821 10.580 5.696 1.00 10.00 C ATOM 1597 C LYS A 100 4.584 10.973 4.888 1.00 10.00 C ATOM 1598 O LYS A 100 3.744 11.707 5.387 1.00 10.00 O ATOM 1599 CB LYS A 100 7.143 10.983 5.014 1.00 10.00 C ATOM 1600 CG LYS A 100 7.992 11.838 5.956 1.00 10.00 C ATOM 1601 CD LYS A 100 7.359 13.236 6.031 1.00 10.00 C ATOM 1602 CE LYS A 100 7.972 14.141 7.098 1.00 10.00 C ATOM 1603 NZ LYS A 100 7.255 15.438 7.115 1.00 10.00 N ATOM 0 H LYS A 100 6.602 8.659 5.535 1.00 10.00 H new ATOM 0 HA LYS A 100 5.773 11.128 6.637 1.00 10.00 H new ATOM 0 HB2 LYS A 100 7.697 10.090 4.725 1.00 10.00 H new ATOM 0 HB3 LYS A 100 6.933 11.538 4.099 1.00 10.00 H new ATOM 0 HG2 LYS A 100 8.034 11.386 6.947 1.00 10.00 H new ATOM 0 HG3 LYS A 100 9.017 11.903 5.591 1.00 10.00 H new ATOM 0 HD2 LYS A 100 7.457 13.720 5.059 1.00 10.00 H new ATOM 0 HD3 LYS A 100 6.292 13.130 6.229 1.00 10.00 H new ATOM 0 HE2 LYS A 100 7.907 13.664 8.076 1.00 10.00 H new ATOM 0 HE3 LYS A 100 9.030 14.301 6.891 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 7.250 15.819 8.083 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 7.735 16.109 6.482 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 6.276 15.298 6.793 1.00 10.00 H new ATOM 1617 N ALA A 101 4.457 10.482 3.656 1.00 10.00 N ATOM 1618 CA ALA A 101 3.495 10.937 2.667 1.00 10.00 C ATOM 1619 C ALA A 101 2.075 11.009 3.216 1.00 10.00 C ATOM 1620 O ALA A 101 1.370 11.989 3.005 1.00 10.00 O ATOM 1621 CB ALA A 101 3.544 9.999 1.462 1.00 10.00 C ATOM 0 H ALA A 101 5.048 9.726 3.311 1.00 10.00 H new ATOM 0 HA ALA A 101 3.769 11.951 2.376 1.00 10.00 H new ATOM 0 HB1 ALA A 101 2.825 10.331 0.713 1.00 10.00 H new ATOM 0 HB2 ALA A 101 4.546 10.009 1.033 1.00 10.00 H new ATOM 0 HB3 ALA A 101 3.295 8.986 1.779 1.00 10.00 H new ATOM 1627 N THR A 102 1.653 9.950 3.907 1.00 10.00 N ATOM 1628 CA THR A 102 0.289 9.842 4.390 1.00 10.00 C ATOM 1629 C THR A 102 0.015 10.792 5.567 1.00 10.00 C ATOM 1630 O THR A 102 -1.150 11.032 5.879 1.00 10.00 O ATOM 1631 CB THR A 102 -0.036 8.379 4.732 1.00 10.00 C ATOM 1632 OG1 THR A 102 0.851 7.854 5.697 1.00 10.00 O ATOM 1633 CG2 THR A 102 0.004 7.494 3.480 1.00 10.00 C ATOM 0 H THR A 102 2.245 9.154 4.143 1.00 10.00 H new ATOM 0 HA THR A 102 -0.382 10.158 3.591 1.00 10.00 H new ATOM 0 HB THR A 102 -1.044 8.376 5.146 1.00 10.00 H new ATOM 0 HG1 THR A 102 1.709 7.643 5.272 1.00 10.00 H new ATOM 0 HG21 THR A 102 -0.230 6.465 3.754 1.00 10.00 H new ATOM 0 HG22 THR A 102 -0.729 7.853 2.757 1.00 10.00 H new ATOM 0 HG23 THR A 102 0.999 7.534 3.038 1.00 10.00 H new ATOM 1641 N ASN A 103 1.063 11.321 6.217 1.00 10.00 N ATOM 1642 CA ASN A 103 0.980 12.321 7.274 1.00 10.00 C ATOM 1643 C ASN A 103 1.191 13.730 6.710 1.00 10.00 C ATOM 1644 O ASN A 103 0.537 14.665 7.164 1.00 10.00 O ATOM 1645 CB ASN A 103 2.061 12.032 8.321 1.00 10.00 C ATOM 1646 CG ASN A 103 1.624 10.978 9.331 1.00 10.00 C ATOM 1647 OD1 ASN A 103 0.996 11.293 10.336 1.00 10.00 O ATOM 1648 ND2 ASN A 103 1.961 9.715 9.091 1.00 10.00 N ATOM 0 H ASN A 103 2.024 11.049 6.008 1.00 10.00 H new ATOM 0 HA ASN A 103 -0.011 12.272 7.725 1.00 10.00 H new ATOM 0 HB2 ASN A 103 2.969 11.696 7.819 1.00 10.00 H new ATOM 0 HB3 ASN A 103 2.310 12.954 8.847 1.00 10.00 H new ATOM 0 HD21 ASN A 103 1.697 8.983 9.750 1.00 10.00 H new ATOM 0 HD22 ASN A 103 2.484 9.478 8.248 1.00 10.00 H new ATOM 1655 N GLU A 104 2.118 13.849 5.753 1.00 10.00 N ATOM 1656 CA GLU A 104 2.609 15.040 5.085 1.00 10.00 C ATOM 1657 C GLU A 104 3.633 15.776 5.991 1.00 10.00 C ATOM 1658 O GLU A 104 4.762 15.244 6.185 1.00 10.00 O ATOM 1659 CB GLU A 104 1.393 15.828 4.555 1.00 10.00 C ATOM 1660 CG GLU A 104 1.652 16.717 3.328 1.00 10.00 C ATOM 1661 CD GLU A 104 0.372 17.350 2.775 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -0.669 16.655 2.759 1.00 10.00 O ATOM 1663 OE2 GLU A 104 0.460 18.522 2.348 1.00 10.00 O ATOM 1664 OXT GLU A 104 3.297 16.860 6.508 1.00 10.00 O ATOM 0 H GLU A 104 2.588 13.017 5.395 1.00 10.00 H new ATOM 0 HA GLU A 104 3.203 14.832 4.195 1.00 10.00 H new ATOM 0 HB2 GLU A 104 0.605 15.118 4.305 1.00 10.00 H new ATOM 0 HB3 GLU A 104 1.012 16.456 5.361 1.00 10.00 H new ATOM 0 HG2 GLU A 104 2.355 17.505 3.598 1.00 10.00 H new ATOM 0 HG3 GLU A 104 2.125 16.122 2.547 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 C CYN A 105 -1.677 -2.784 -3.980 1.00 10.00 C HETATM 1673 N CYN A 105 -1.208 -3.951 -3.957 1.00 10.00 N HETATM 1674 FE HEC A 110 -2.282 -1.051 -4.054 1.00 10.00 FE HETATM 1675 CHA HEC A 110 -5.014 -2.101 -2.194 1.00 10.00 C HETATM 1676 CHB HEC A 110 -0.562 -0.425 -1.194 1.00 10.00 C HETATM 1677 CHC HEC A 110 0.497 -0.598 -5.923 1.00 10.00 C HETATM 1678 CHD HEC A 110 -4.148 -1.524 -6.915 1.00 10.00 C HETATM 1679 NA HEC A 110 -2.703 -1.227 -2.098 1.00 10.00 N HETATM 1680 C1A HEC A 110 -3.873 -1.695 -1.560 1.00 10.00 C HETATM 1681 C2A HEC A 110 -3.744 -1.685 -0.122 1.00 10.00 C HETATM 1682 C3A HEC A 110 -2.489 -1.209 0.161 1.00 10.00 C HETATM 1683 C4A HEC A 110 -1.846 -0.915 -1.099 1.00 10.00 C HETATM 1684 CMA HEC A 110 -1.863 -1.102 1.531 1.00 10.00 C HETATM 1685 CAA HEC A 110 -4.734 -2.245 0.878 1.00 10.00 C HETATM 1686 CBA HEC A 110 -5.557 -1.222 1.671 1.00 10.00 C HETATM 1687 CGA HEC A 110 -6.432 -0.291 0.825 1.00 10.00 C HETATM 1688 O1A HEC A 110 -6.517 0.904 1.188 1.00 10.00 O HETATM 1689 O2A HEC A 110 -7.049 -0.808 -0.132 1.00 10.00 O HETATM 1690 NB HEC A 110 -0.415 -0.552 -3.645 1.00 10.00 N HETATM 1691 C1B HEC A 110 0.075 -0.310 -2.411 1.00 10.00 C HETATM 1692 C2B HEC A 110 1.451 0.112 -2.544 1.00 10.00 C HETATM 1693 C3B HEC A 110 1.778 0.022 -3.878 1.00 10.00 C HETATM 1694 C4B HEC A 110 0.574 -0.407 -4.563 1.00 10.00 C HETATM 1695 CMB HEC A 110 2.334 0.592 -1.417 1.00 10.00 C HETATM 1696 CAB HEC A 110 3.147 0.216 -4.519 1.00 10.00 C HETATM 1697 CBB HEC A 110 4.182 -0.854 -4.174 1.00 10.00 C HETATM 1698 NC HEC A 110 -1.893 -1.096 -6.014 1.00 10.00 N HETATM 1699 C1C HEC A 110 -0.672 -0.901 -6.552 1.00 10.00 C HETATM 1700 C2C HEC A 110 -0.776 -1.013 -7.985 1.00 10.00 C HETATM 1701 C3C HEC A 110 -2.118 -1.041 -8.270 1.00 10.00 C HETATM 1702 C4C HEC A 110 -2.798 -1.276 -7.013 1.00 10.00 C HETATM 1703 CMC HEC A 110 0.353 -0.924 -8.995 1.00 10.00 C HETATM 1704 CAC HEC A 110 -2.754 -0.363 -9.465 1.00 10.00 C HETATM 1705 CBC HEC A 110 -2.424 -0.931 -10.849 1.00 10.00 C HETATM 1706 ND HEC A 110 -4.199 -1.713 -4.471 1.00 10.00 N HETATM 1707 C1D HEC A 110 -4.736 -1.808 -5.709 1.00 10.00 C HETATM 1708 C2D HEC A 110 -6.099 -2.270 -5.589 1.00 10.00 C HETATM 1709 C3D HEC A 110 -6.337 -2.483 -4.253 1.00 10.00 C HETATM 1710 C4D HEC A 110 -5.129 -2.102 -3.554 1.00 10.00 C HETATM 1711 CMD HEC A 110 -7.066 -2.495 -6.729 1.00 10.00 C HETATM 1712 CAD HEC A 110 -7.636 -2.956 -3.629 1.00 10.00 C HETATM 1713 CBD HEC A 110 -7.690 -4.464 -3.313 1.00 10.00 C HETATM 1714 CGD HEC A 110 -7.888 -5.362 -4.548 1.00 10.00 C HETATM 1715 O1D HEC A 110 -8.816 -5.057 -5.332 1.00 10.00 O HETATM 1716 O2D HEC A 110 -7.142 -6.360 -4.684 1.00 10.00 O HETATM 0 HMD3 HEC A 110 -7.217 -1.560 -7.268 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 -6.659 -3.243 -7.409 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 -8.020 -2.844 -6.334 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 0.837 0.049 -8.915 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 1.082 -1.709 -8.796 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 -0.048 -1.048 -10.001 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.890 1.475 -0.958 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 2.430 -0.196 -0.670 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 3.320 0.843 -1.809 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.470 -0.449 2.158 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -1.808 -2.092 1.984 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -0.859 -0.688 1.441 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 -6.765 -4.752 -2.813 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 -8.503 -4.648 -2.610 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 -1.349 -0.873 -11.019 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 -2.744 -1.972 -10.901 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 -2.944 -0.353 -11.613 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 4.343 -0.870 -3.096 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 3.821 -1.829 -4.502 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.122 -0.627 -4.678 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -6.197 -1.759 2.371 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -4.875 -0.613 2.265 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 -7.803 -2.400 -2.707 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 -8.457 -2.711 -4.303 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -5.424 -2.899 0.345 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -4.188 -2.867 1.587 1.00 10.00 H new HETATM 0 HHD HEC A 110 -4.763 -1.494 -7.815 1.00 10.00 H new HETATM 0 HHC HEC A 110 1.405 -0.503 -6.519 1.00 10.00 H new HETATM 0 HHB HEC A 110 -0.039 -0.122 -0.287 1.00 10.00 H new HETATM 0 HHA HEC A 110 -5.860 -2.435 -1.593 1.00 10.00 H new HETATM 0 H2D HEC A 110 -7.401 -6.854 -5.490 1.00 10.00 H new HETATM 0 H2A HEC A 110 -7.992 -0.546 -0.093 1.00 10.00 H new CONECT 225 1696 CONECT 262 1704 CONECT 276 1674 CONECT 1672 1673 1674 CONECT 1673 1672 1674 CONECT 1674 276 1672 1673 1679 CONECT 1674 1690 1698 1706 CONECT 1675 1680 1710 1717 CONECT 1676 1683 1691 1718 CONECT 1677 1694 1699 1719 CONECT 1678 1702 1707 1720 CONECT 1679 1674 1680 1683 CONECT 1680 1675 1679 1681 CONECT 1681 1680 1682 1685 CONECT 1682 1681 1683 1684 CONECT 1683 1676 1679 1682 CONECT 1684 1682 1721 1722 1723 CONECT 1685 1681 1686 1724 1725 CONECT 1686 1685 1687 1726 1727 CONECT 1687 1686 1688 1689 CONECT 1688 1687 CONECT 1689 1687 CONECT 1690 1674 1691 1694 CONECT 1691 1676 1690 1692 CONECT 1692 1691 1693 1695 CONECT 1693 1692 1694 1696 CONECT 1694 1677 1690 1693 CONECT 1695 1692 1728 1729 1730 CONECT 1696 225 1693 1697 1731 CONECT 1697 1696 1732 1733 1734 CONECT 1698 1674 1699 1702 CONECT 1699 1677 1698 1700 CONECT 1700 1699 1701 1703 CONECT 1701 1700 1702 1704 CONECT 1702 1678 1698 1701 CONECT 1703 1700 1735 1736 1737 CONECT 1704 262 1701 1705 1738 CONECT 1705 1704 1739 1740 1741 CONECT 1706 1674 1707 1710 CONECT 1707 1678 1706 1708 CONECT 1708 1707 1709 1711 CONECT 1709 1708 1710 1712 CONECT 1710 1675 1706 1709 CONECT 1711 1708 1742 1743 1744 CONECT 1712 1709 1713 1745 1746 CONECT 1713 1712 1714 1747 1748 CONECT 1714 1713 1715 1716 CONECT 1715 1714 CONECT 1716 1714 CONECT 1717 1675 CONECT 1718 1676 CONECT 1719 1677 CONECT 1720 1678 CONECT 1721 1684 CONECT 1722 1684 CONECT 1723 1684 CONECT 1724 1685 CONECT 1725 1685 CONECT 1726 1686 CONECT 1727 1686 CONECT 1728 1695 CONECT 1729 1695 CONECT 1730 1695 CONECT 1731 1696 CONECT 1732 1697 CONECT 1733 1697 CONECT 1734 1697 CONECT 1735 1703 CONECT 1736 1703 CONECT 1737 1703 CONECT 1738 1704 CONECT 1739 1705 CONECT 1740 1705 CONECT 1741 1705 CONECT 1742 1711 CONECT 1743 1711 CONECT 1744 1711 CONECT 1745 1712 CONECT 1746 1712 CONECT 1747 1713 CONECT 1748 1713 END