USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 878 hydrogens (32 hets) HEADER ELECTRON TRANSPORT 17-JUN-98 1GIW TITLE SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, TITLE 2 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: REDUCED FORM SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; SOURCE 3 ORGANISM_COMMON: HORSE; SOURCE 4 ORGANISM_TAXID: 9796; SOURCE 5 ORGAN: HEART KEYWDS ELECTRON TRANSPORT, CYTOCHROME C EXPDTA SOLUTION NMR AUTHOR L.BANCI,I.BERTINI,J.G.HUBER,G.A.SPYROULIAS,P.TURANO REVDAT 4 24-FEB-09 1GIW 1 VERSN REVDAT 3 01-APR-03 1GIW 1 JRNL REVDAT 2 13-JAN-99 1GIW 3 REMARK EXPDTA MODEL ENDMDL REVDAT 2 2 3 FORMUL REVDAT 1 09-DEC-98 1GIW 0 JRNL AUTH L.BANCI,I.BERTINI,J.G.HUBER,G.A.SPYROULIAS,P.TURANO JRNL TITL SOLUTION STRUCTURE OF REDUCED HORSE HEART JRNL TITL 2 CYTOCHROME C. JRNL REF J.BIOL.INORG.CHEM. V. 4 21 1999 JRNL REFN ISSN 0949-8257 JRNL PMID 10499099 JRNL DOI 10.1007/S007750050285 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.X.QI,D.L.DI STEFANO,A.J.WAND REMARK 1 TITL SOLUTION STRUCTURE OF HORSE HEART FERROCYTOCHROME REMARK 1 TITL 2 C DETERMINED BY HIGH-RESOLUTION NMR AND RESTRAINED REMARK 1 TITL 3 SIMULATED ANNEALING REMARK 1 REF BIOCHEMISTRY V. 33 6408 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE REMARK 4 REMARK 4 1GIW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 MM PHOSPHATE REMARK 210 PRESSURE : 1013 MBAR REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE 800 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, AMBER REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS, RESTRAINED REMARK 210 ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 33 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 HIS A 33 CG - ND1 - CE1 ANGL. DEV. = -8.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 22 -54.29 -179.11 REMARK 500 HIS A 26 -112.85 -76.10 REMARK 500 LYS A 27 70.44 70.01 REMARK 500 THR A 28 10.43 86.49 REMARK 500 LEU A 35 -60.39 -92.12 REMARK 500 PHE A 36 105.99 -57.06 REMARK 500 GLN A 42 83.27 -168.05 REMARK 500 TYR A 48 -171.00 56.12 REMARK 500 TRP A 59 68.93 15.39 REMARK 500 GLU A 61 38.63 -75.71 REMARK 500 GLU A 62 -57.67 -133.83 REMARK 500 ALA A 83 9.05 -150.08 REMARK 500 LYS A 86 -65.19 -166.72 REMARK 500 LYS A 87 -63.00 -167.43 REMARK 500 LYS A 88 -55.73 -163.37 REMARK 500 ASN A 103 58.27 -156.89 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 PHE A 10 0.10 SIDE_CHAIN REMARK 500 HIS A 18 0.08 SIDE_CHAIN REMARK 500 TYR A 74 0.14 SIDE_CHAIN REMARK 500 ARG A 91 0.10 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 105 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 18 NE2 REMARK 620 2 MET A 80 SD 170.9 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 105 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2GIW RELATED DB: PDB DBREF 1GIW 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 HEC A 105 75 HETNAM HEC HEME C FORMUL 2 HEC C34 H34 FE N4 O4 HELIX 1 1 VAL A 3 LYS A 13 1 11 HELIX 2 2 ASP A 50 LYS A 53 1 4 HELIX 3 3 THR A 63 GLU A 69 1 7 HELIX 4 4 PRO A 71 TYR A 74 1 4 HELIX 5 5 THR A 89 ALA A 101 1 13 LINK FE HEC A 105 NE2 HIS A 18 1555 1555 1.94 LINK FE HEC A 105 SD MET A 80 1555 1555 2.36 LINK CAB HEC A 105 SG CYS A 14 1555 1555 1.81 LINK CAC HEC A 105 SG CYS A 17 1555 1555 1.82 SITE *** AC1 20 PHE A 10 LYS A 13 CYS A 14 CYS A 17 SITE *** AC1 20 HIS A 18 THR A 28 PRO A 30 LEU A 32 SITE *** AC1 20 LEU A 35 TYR A 48 THR A 49 ASN A 52 SITE *** AC1 20 TRP A 59 TYR A 67 LEU A 68 THR A 78 SITE *** AC1 20 LYS A 79 MET A 80 PHE A 82 LEU A 94 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -123:sc= 1.13 USER MOD Set 1.2: A 78 THR OG1 : rot 61:sc= 2.11 USER MOD Single : A 1 GLY N :NH3+ -135:sc= -1.62! (180deg=-3.25!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 0.481 (180deg=-1.41!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= -0.381 (180deg=-1.14!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 41:sc= -0.334 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.82 (180deg=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc=-0.00998 X(o=-0.01,f=-0.0042) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 89:sc= 0.0968 USER MOD Single : A 31 ASN : amide:sc= -0.0465 K(o=-0.047,f=-1.8!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0059 X(o=-0.0059,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -118:sc= 0.939 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 47 THR OG1 : rot -2:sc= 0.901 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.00503 USER MOD Single : A 49 THR OG1 : rot -79:sc= 0.606 USER MOD Single : A 52 ASN : amide:sc= -0.774 X(o=-0.77,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00188 K(o=-0.0019,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= 0.00374 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 60 LYS NZ :NH3+ 149:sc= 1.2 (180deg=0.955) USER MOD Single : A 63 THR OG1 : rot 10:sc= 0.427 USER MOD Single : A 65 MET CE :methyl 159:sc= 0 (180deg=-0.11) USER MOD Single : A 70 ASN : amide:sc= -0.167 K(o=-0.17,f=-2) 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 0:sc= -0.242 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0363 (180deg=-0.0363) 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 180:sc= 0.127 USER MOD Single : A 97 TYR OH : rot -165:sc= 0.0348 USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0.913 (180deg=-0.876!) USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= 1.12 (180deg=0.763) USER MOD Single : A 102 THR OG1 : rot -38:sc= -0.22 USER MOD Single : A 103 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.28) USER MOD Single : A 105 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.304 10.173 3.389 1.00 0.00 N ATOM 2 CA GLY A 1 -11.114 10.589 4.771 1.00 0.00 C ATOM 3 C GLY A 1 -10.153 11.759 4.713 1.00 0.00 C ATOM 4 O GLY A 1 -10.179 12.462 3.702 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.316 10.010 3.211 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.956 10.917 2.751 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.776 9.294 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.060 10.881 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.707 9.776 5.373 1.00 0.00 H new ATOM 9 N ASP A 2 -9.321 11.945 5.729 1.00 0.00 N ATOM 10 CA ASP A 2 -8.410 13.072 5.839 1.00 0.00 C ATOM 11 C ASP A 2 -7.025 12.633 5.388 1.00 0.00 C ATOM 12 O ASP A 2 -6.560 11.544 5.717 1.00 0.00 O ATOM 13 CB ASP A 2 -8.350 13.564 7.293 1.00 0.00 C ATOM 14 CG ASP A 2 -8.682 15.032 7.511 1.00 0.00 C ATOM 15 OD1 ASP A 2 -9.345 15.630 6.639 1.00 0.00 O ATOM 16 OD2 ASP A 2 -8.249 15.524 8.575 1.00 0.00 O ATOM 0 H ASP A 2 -9.261 11.300 6.517 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.764 13.888 5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.038 12.963 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.348 13.377 7.679 1.00 0.00 H new ATOM 21 N VAL A 3 -6.343 13.509 4.660 1.00 0.00 N ATOM 22 CA VAL A 3 -5.032 13.213 4.106 1.00 0.00 C ATOM 23 C VAL A 3 -3.985 13.117 5.224 1.00 0.00 C ATOM 24 O VAL A 3 -3.139 12.221 5.237 1.00 0.00 O ATOM 25 CB VAL A 3 -4.721 14.256 3.017 1.00 0.00 C ATOM 26 CG1 VAL A 3 -4.315 15.630 3.566 1.00 0.00 C ATOM 27 CG2 VAL A 3 -3.647 13.751 2.059 1.00 0.00 C ATOM 0 H VAL A 3 -6.685 14.444 4.438 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.011 12.235 3.625 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.660 14.394 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.113 16.308 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.125 16.033 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.419 15.527 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.449 14.509 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.732 13.545 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.991 12.837 1.576 1.00 0.00 H new ATOM 37 N GLU A 4 -4.074 14.029 6.194 1.00 0.00 N ATOM 38 CA GLU A 4 -3.144 14.118 7.308 1.00 0.00 C ATOM 39 C GLU A 4 -3.392 12.964 8.272 1.00 0.00 C ATOM 40 O GLU A 4 -2.459 12.271 8.679 1.00 0.00 O ATOM 41 CB GLU A 4 -3.325 15.462 8.017 1.00 0.00 C ATOM 42 CG GLU A 4 -2.831 16.640 7.163 1.00 0.00 C ATOM 43 CD GLU A 4 -1.337 16.552 6.873 1.00 0.00 C ATOM 44 OE1 GLU A 4 -0.533 16.724 7.814 1.00 0.00 O ATOM 45 OE2 GLU A 4 -0.959 16.246 5.719 1.00 0.00 O ATOM 0 H GLU A 4 -4.809 14.736 6.223 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.120 14.051 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.379 15.606 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.783 15.448 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.382 16.661 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.045 17.576 7.679 1.00 0.00 H new ATOM 52 N LYS A 5 -4.663 12.748 8.622 1.00 0.00 N ATOM 53 CA LYS A 5 -5.048 11.581 9.400 1.00 0.00 C ATOM 54 C LYS A 5 -4.541 10.331 8.698 1.00 0.00 C ATOM 55 O LYS A 5 -3.905 9.505 9.339 1.00 0.00 O ATOM 56 CB LYS A 5 -6.561 11.512 9.625 1.00 0.00 C ATOM 57 CG LYS A 5 -7.040 12.667 10.519 1.00 0.00 C ATOM 58 CD LYS A 5 -7.840 12.114 11.704 1.00 0.00 C ATOM 59 CE LYS A 5 -8.232 13.255 12.652 1.00 0.00 C ATOM 60 NZ LYS A 5 -8.992 12.764 13.818 1.00 0.00 N ATOM 0 H LYS A 5 -5.436 13.367 8.377 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.594 11.656 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.077 11.552 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.820 10.559 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.184 13.237 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.658 13.354 9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.735 11.606 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.247 11.373 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.333 13.768 12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.831 13.988 12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.238 13.565 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.862 12.297 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.412 12.084 14.349 1.00 0.00 H new ATOM 74 N GLY A 6 -4.753 10.227 7.383 1.00 0.00 N ATOM 75 CA GLY A 6 -4.220 9.129 6.594 1.00 0.00 C ATOM 76 C GLY A 6 -2.733 8.964 6.847 1.00 0.00 C ATOM 77 O GLY A 6 -2.306 7.892 7.261 1.00 0.00 O ATOM 0 H GLY A 6 -5.297 10.901 6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.742 8.206 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.396 9.316 5.535 1.00 0.00 H new ATOM 81 N LYS A 7 -1.934 10.009 6.631 1.00 0.00 N ATOM 82 CA LYS A 7 -0.492 9.863 6.738 1.00 0.00 C ATOM 83 C LYS A 7 -0.037 9.529 8.157 1.00 0.00 C ATOM 84 O LYS A 7 0.890 8.741 8.344 1.00 0.00 O ATOM 85 CB LYS A 7 0.239 11.016 6.045 1.00 0.00 C ATOM 86 CG LYS A 7 0.646 12.123 6.996 1.00 0.00 C ATOM 87 CD LYS A 7 1.040 13.364 6.190 1.00 0.00 C ATOM 88 CE LYS A 7 1.522 14.472 7.131 1.00 0.00 C ATOM 89 NZ LYS A 7 1.559 15.779 6.450 1.00 0.00 N ATOM 0 H LYS A 7 -2.257 10.945 6.386 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.190 8.979 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.128 10.628 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.404 11.431 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.177 12.360 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.482 11.797 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.827 13.111 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.188 13.715 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.861 14.530 7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.516 14.227 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.451 16.539 7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.469 15.888 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.783 15.833 5.759 1.00 0.00 H new ATOM 103 N LYS A 8 -0.713 10.091 9.158 1.00 0.00 N ATOM 104 CA LYS A 8 -0.381 9.841 10.550 1.00 0.00 C ATOM 105 C LYS A 8 -0.628 8.378 10.878 1.00 0.00 C ATOM 106 O LYS A 8 0.222 7.700 11.452 1.00 0.00 O ATOM 107 CB LYS A 8 -1.238 10.720 11.477 1.00 0.00 C ATOM 108 CG LYS A 8 -0.625 12.098 11.750 1.00 0.00 C ATOM 109 CD LYS A 8 0.288 12.104 12.990 1.00 0.00 C ATOM 110 CE LYS A 8 1.537 11.220 12.831 1.00 0.00 C ATOM 111 NZ LYS A 8 2.506 11.393 13.933 1.00 0.00 N ATOM 0 H LYS A 8 -1.499 10.727 9.024 1.00 0.00 H new ATOM 0 HA LYS A 8 0.670 10.084 10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.224 10.851 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.383 10.201 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.051 12.415 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.424 12.826 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.600 13.128 13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.282 11.763 13.854 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.233 10.175 12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.024 11.455 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.327 10.774 13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.821 12.384 13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.054 11.143 14.836 1.00 0.00 H new ATOM 125 N ILE A 9 -1.829 7.921 10.548 1.00 0.00 N ATOM 126 CA ILE A 9 -2.339 6.634 10.958 1.00 0.00 C ATOM 127 C ILE A 9 -1.614 5.557 10.154 1.00 0.00 C ATOM 128 O ILE A 9 -1.196 4.540 10.706 1.00 0.00 O ATOM 129 CB ILE A 9 -3.854 6.677 10.746 1.00 0.00 C ATOM 130 CG1 ILE A 9 -4.504 7.543 11.844 1.00 0.00 C ATOM 131 CG2 ILE A 9 -4.449 5.279 10.771 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.995 7.815 11.609 1.00 0.00 C ATOM 0 H ILE A 9 -2.485 8.452 9.975 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.160 6.397 12.007 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.054 7.113 9.767 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.381 7.047 12.807 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.975 8.494 11.906 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.527 5.339 10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.003 4.679 9.978 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.245 4.814 11.735 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.385 8.430 12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.124 8.339 10.662 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.537 6.870 11.577 1.00 0.00 H new ATOM 144 N PHE A 10 -1.416 5.826 8.861 1.00 0.00 N ATOM 145 CA PHE A 10 -0.496 5.092 8.015 1.00 0.00 C ATOM 146 C PHE A 10 0.815 4.900 8.766 1.00 0.00 C ATOM 147 O PHE A 10 1.152 3.785 9.140 1.00 0.00 O ATOM 148 CB PHE A 10 -0.276 5.847 6.694 1.00 0.00 C ATOM 149 CG PHE A 10 0.878 5.340 5.856 1.00 0.00 C ATOM 150 CD1 PHE A 10 0.711 4.219 5.039 1.00 0.00 C ATOM 151 CD2 PHE A 10 2.171 5.837 6.076 1.00 0.00 C ATOM 152 CE1 PHE A 10 1.835 3.551 4.532 1.00 0.00 C ATOM 153 CE2 PHE A 10 3.298 5.140 5.636 1.00 0.00 C ATOM 154 CZ PHE A 10 3.124 3.982 4.868 1.00 0.00 C ATOM 0 H PHE A 10 -1.904 6.576 8.372 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.910 4.114 7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.189 5.788 6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.108 6.901 6.918 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.282 3.868 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.297 6.776 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.706 2.700 3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.289 5.489 5.884 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.985 3.421 4.535 1.00 0.00 H new ATOM 164 N VAL A 11 1.543 5.985 9.033 1.00 0.00 N ATOM 165 CA VAL A 11 2.841 5.897 9.667 1.00 0.00 C ATOM 166 C VAL A 11 2.738 5.080 10.962 1.00 0.00 C ATOM 167 O VAL A 11 3.597 4.246 11.233 1.00 0.00 O ATOM 168 CB VAL A 11 3.435 7.309 9.861 1.00 0.00 C ATOM 169 CG1 VAL A 11 4.391 7.376 11.051 1.00 0.00 C ATOM 170 CG2 VAL A 11 4.175 7.829 8.620 1.00 0.00 C ATOM 0 H VAL A 11 1.246 6.936 8.815 1.00 0.00 H new ATOM 0 HA VAL A 11 3.541 5.362 9.025 1.00 0.00 H new ATOM 0 HB VAL A 11 2.570 7.946 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.783 8.389 11.146 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.857 7.106 11.962 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.216 6.681 10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.568 8.825 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.998 7.156 8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.485 7.875 7.778 1.00 0.00 H new ATOM 180 N GLN A 12 1.673 5.290 11.741 1.00 0.00 N ATOM 181 CA GLN A 12 1.453 4.567 12.980 1.00 0.00 C ATOM 182 C GLN A 12 1.496 3.045 12.782 1.00 0.00 C ATOM 183 O GLN A 12 2.077 2.362 13.622 1.00 0.00 O ATOM 184 CB GLN A 12 0.137 5.016 13.633 1.00 0.00 C ATOM 185 CG GLN A 12 0.182 4.831 15.155 1.00 0.00 C ATOM 186 CD GLN A 12 -1.149 5.168 15.823 1.00 0.00 C ATOM 187 OE1 GLN A 12 -2.166 5.360 15.163 1.00 0.00 O ATOM 188 NE2 GLN A 12 -1.157 5.246 17.150 1.00 0.00 N ATOM 0 H GLN A 12 0.943 5.968 11.523 1.00 0.00 H new ATOM 0 HA GLN A 12 2.273 4.810 13.655 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.051 6.063 13.397 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.692 4.442 13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.450 3.800 15.385 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.965 5.464 15.572 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.298 5.082 17.676 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.022 5.470 17.643 1.00 0.00 H new ATOM 197 N LYS A 13 0.863 2.508 11.724 1.00 0.00 N ATOM 198 CA LYS A 13 0.704 1.054 11.569 1.00 0.00 C ATOM 199 C LYS A 13 1.233 0.440 10.264 1.00 0.00 C ATOM 200 O LYS A 13 1.059 -0.760 10.052 1.00 0.00 O ATOM 201 CB LYS A 13 -0.750 0.670 11.812 1.00 0.00 C ATOM 202 CG LYS A 13 -1.654 1.255 10.731 1.00 0.00 C ATOM 203 CD LYS A 13 -2.821 1.966 11.403 1.00 0.00 C ATOM 204 CE LYS A 13 -3.802 0.957 12.029 1.00 0.00 C ATOM 205 NZ LYS A 13 -5.062 1.587 12.466 1.00 0.00 N ATOM 0 H LYS A 13 0.455 3.058 10.968 1.00 0.00 H new ATOM 0 HA LYS A 13 1.355 0.617 12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.847 -0.416 11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.067 1.030 12.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.095 1.953 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.020 0.465 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.445 2.638 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.345 2.581 10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.024 0.174 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.326 0.475 12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.447 1.066 13.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.880 2.573 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.749 1.567 11.686 1.00 0.00 H new ATOM 219 N CYS A 14 1.846 1.233 9.386 1.00 0.00 N ATOM 220 CA CYS A 14 2.265 0.807 8.055 1.00 0.00 C ATOM 221 C CYS A 14 3.767 1.055 7.902 1.00 0.00 C ATOM 222 O CYS A 14 4.483 0.184 7.419 1.00 0.00 O ATOM 223 CB CYS A 14 1.530 1.555 6.968 1.00 0.00 C ATOM 224 SG CYS A 14 -0.291 1.629 7.040 1.00 0.00 S ATOM 0 H CYS A 14 2.069 2.208 9.586 1.00 0.00 H new ATOM 0 HA CYS A 14 2.033 -0.253 7.952 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.903 2.579 6.960 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.806 1.108 6.013 1.00 0.00 H new ATOM 229 N ALA A 15 4.257 2.234 8.315 1.00 0.00 N ATOM 230 CA ALA A 15 5.663 2.633 8.179 1.00 0.00 C ATOM 231 C ALA A 15 6.641 1.589 8.701 1.00 0.00 C ATOM 232 O ALA A 15 7.698 1.413 8.105 1.00 0.00 O ATOM 233 CB ALA A 15 5.926 3.958 8.869 1.00 0.00 C ATOM 0 H ALA A 15 3.678 2.946 8.759 1.00 0.00 H new ATOM 0 HA ALA A 15 5.834 2.734 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.976 4.228 8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.301 4.731 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.691 3.869 9.930 1.00 0.00 H new ATOM 239 N GLN A 16 6.293 0.892 9.787 1.00 0.00 N ATOM 240 CA GLN A 16 7.002 -0.254 10.300 1.00 0.00 C ATOM 241 C GLN A 16 7.547 -1.138 9.172 1.00 0.00 C ATOM 242 O GLN A 16 8.696 -1.571 9.223 1.00 0.00 O ATOM 243 CB GLN A 16 5.998 -1.003 11.183 1.00 0.00 C ATOM 244 CG GLN A 16 6.725 -2.085 11.959 1.00 0.00 C ATOM 245 CD GLN A 16 5.797 -2.824 12.915 1.00 0.00 C ATOM 246 OE1 GLN A 16 5.754 -2.524 14.103 1.00 0.00 O ATOM 247 NE2 GLN A 16 5.046 -3.798 12.411 1.00 0.00 N ATOM 0 H GLN A 16 5.474 1.132 10.346 1.00 0.00 H new ATOM 0 HA GLN A 16 7.880 0.046 10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.512 -0.310 11.870 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.214 -1.445 10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.168 -2.796 11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.545 -1.639 12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.104 -4.025 11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.412 -4.319 13.017 1.00 0.00 H new ATOM 256 N CYS A 17 6.703 -1.397 8.171 1.00 0.00 N ATOM 257 CA CYS A 17 7.024 -2.163 6.983 1.00 0.00 C ATOM 258 C CYS A 17 7.300 -1.252 5.770 1.00 0.00 C ATOM 259 O CYS A 17 8.011 -1.676 4.864 1.00 0.00 O ATOM 260 CB CYS A 17 5.899 -3.130 6.704 1.00 0.00 C ATOM 261 SG CYS A 17 5.675 -4.346 8.047 1.00 0.00 S ATOM 0 H CYS A 17 5.740 -1.061 8.174 1.00 0.00 H new ATOM 0 HA CYS A 17 7.943 -2.721 7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.972 -2.574 6.563 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.099 -3.657 5.771 1.00 0.00 H new ATOM 266 N HIS A 18 6.749 -0.026 5.718 1.00 0.00 N ATOM 267 CA HIS A 18 6.718 0.814 4.516 1.00 0.00 C ATOM 268 C HIS A 18 7.131 2.257 4.792 1.00 0.00 C ATOM 269 O HIS A 18 6.277 3.135 4.884 1.00 0.00 O ATOM 270 CB HIS A 18 5.285 0.862 3.984 1.00 0.00 C ATOM 271 CG HIS A 18 4.799 -0.427 3.422 1.00 0.00 C ATOM 272 ND1 HIS A 18 5.026 -0.844 2.137 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.769 -1.160 3.940 1.00 0.00 C ATOM 274 CE1 HIS A 18 4.151 -1.824 1.891 1.00 0.00 C ATOM 275 NE2 HIS A 18 3.390 -2.086 2.957 1.00 0.00 N ATOM 0 H HIS A 18 6.306 0.412 6.526 1.00 0.00 H new ATOM 0 HA HIS A 18 7.419 0.375 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.620 1.167 4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.222 1.629 3.212 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.727 -0.478 1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.330 -1.048 4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.069 -2.341 0.946 1.00 0.00 H new ATOM 283 N THR A 19 8.418 2.576 4.856 1.00 0.00 N ATOM 284 CA THR A 19 8.825 3.947 5.136 1.00 0.00 C ATOM 285 C THR A 19 8.764 4.849 3.878 1.00 0.00 C ATOM 286 O THR A 19 9.765 5.425 3.444 1.00 0.00 O ATOM 287 CB THR A 19 10.183 3.915 5.845 1.00 0.00 C ATOM 288 OG1 THR A 19 10.993 2.852 5.356 1.00 0.00 O ATOM 289 CG2 THR A 19 10.051 3.753 7.361 1.00 0.00 C ATOM 0 H THR A 19 9.185 1.918 4.721 1.00 0.00 H new ATOM 0 HA THR A 19 8.115 4.422 5.813 1.00 0.00 H new ATOM 0 HB THR A 19 10.649 4.877 5.632 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.898 2.790 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.043 3.736 7.813 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.481 4.588 7.768 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.535 2.819 7.584 1.00 0.00 H new ATOM 297 N VAL A 20 7.565 5.029 3.307 1.00 0.00 N ATOM 298 CA VAL A 20 7.291 5.978 2.244 1.00 0.00 C ATOM 299 C VAL A 20 7.252 7.401 2.817 1.00 0.00 C ATOM 300 O VAL A 20 6.182 7.936 3.113 1.00 0.00 O ATOM 301 CB VAL A 20 6.017 5.572 1.476 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.799 5.259 2.354 1.00 0.00 C ATOM 303 CG2 VAL A 20 5.656 6.604 0.407 1.00 0.00 C ATOM 0 H VAL A 20 6.741 4.497 3.588 1.00 0.00 H new ATOM 0 HA VAL A 20 8.094 5.966 1.507 1.00 0.00 H new ATOM 0 HB VAL A 20 6.279 4.628 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.955 4.984 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.036 4.431 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.539 6.139 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.753 6.287 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.481 7.571 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.476 6.691 -0.306 1.00 0.00 H new ATOM 313 N GLU A 21 8.435 8.009 2.968 1.00 0.00 N ATOM 314 CA GLU A 21 8.570 9.426 3.282 1.00 0.00 C ATOM 315 C GLU A 21 9.691 10.095 2.464 1.00 0.00 C ATOM 316 O GLU A 21 9.831 11.317 2.507 1.00 0.00 O ATOM 317 CB GLU A 21 8.797 9.568 4.795 1.00 0.00 C ATOM 318 CG GLU A 21 8.525 10.991 5.303 1.00 0.00 C ATOM 319 CD GLU A 21 8.911 11.142 6.766 1.00 0.00 C ATOM 320 OE1 GLU A 21 10.136 11.090 7.016 1.00 0.00 O ATOM 321 OE2 GLU A 21 7.992 11.313 7.593 1.00 0.00 O ATOM 0 H GLU A 21 9.327 7.524 2.874 1.00 0.00 H new ATOM 0 HA GLU A 21 7.654 9.947 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.149 8.868 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.825 9.292 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.086 11.707 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.468 11.228 5.178 1.00 0.00 H new ATOM 328 N LYS A 22 10.547 9.325 1.768 1.00 0.00 N ATOM 329 CA LYS A 22 11.726 9.869 1.100 1.00 0.00 C ATOM 330 C LYS A 22 12.531 8.818 0.360 1.00 0.00 C ATOM 331 O LYS A 22 12.885 8.946 -0.808 1.00 0.00 O ATOM 332 CB LYS A 22 12.620 10.638 2.091 1.00 0.00 C ATOM 333 CG LYS A 22 12.841 9.993 3.478 1.00 0.00 C ATOM 334 CD LYS A 22 13.663 10.874 4.431 1.00 0.00 C ATOM 335 CE LYS A 22 12.857 11.956 5.169 1.00 0.00 C ATOM 336 NZ LYS A 22 12.210 12.941 4.278 1.00 0.00 N ATOM 0 H LYS A 22 10.436 8.317 1.658 1.00 0.00 H new ATOM 0 HA LYS A 22 11.353 10.564 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.595 10.784 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.187 11.627 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.873 9.783 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.348 9.036 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.145 10.234 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.457 11.358 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.091 11.473 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.520 12.483 5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.999 13.807 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.849 13.168 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.326 12.542 3.903 1.00 0.00 H new ATOM 350 N GLY A 23 12.871 7.810 1.133 1.00 0.00 N ATOM 351 CA GLY A 23 14.009 6.943 0.901 1.00 0.00 C ATOM 352 C GLY A 23 14.288 6.187 2.188 1.00 0.00 C ATOM 353 O GLY A 23 15.368 6.292 2.764 1.00 0.00 O ATOM 0 H GLY A 23 12.345 7.561 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.800 6.248 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.880 7.527 0.605 1.00 0.00 H new ATOM 357 N GLY A 24 13.269 5.463 2.654 1.00 0.00 N ATOM 358 CA GLY A 24 13.412 4.516 3.738 1.00 0.00 C ATOM 359 C GLY A 24 14.060 3.252 3.185 1.00 0.00 C ATOM 360 O GLY A 24 15.094 3.330 2.525 1.00 0.00 O ATOM 0 H GLY A 24 12.321 5.524 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.024 4.940 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.439 4.286 4.172 1.00 0.00 H new ATOM 364 N LYS A 25 13.445 2.090 3.407 1.00 0.00 N ATOM 365 CA LYS A 25 13.860 0.839 2.784 1.00 0.00 C ATOM 366 C LYS A 25 12.628 0.136 2.227 1.00 0.00 C ATOM 367 O LYS A 25 11.502 0.573 2.453 1.00 0.00 O ATOM 368 CB LYS A 25 14.583 -0.067 3.804 1.00 0.00 C ATOM 369 CG LYS A 25 16.065 -0.305 3.474 1.00 0.00 C ATOM 370 CD LYS A 25 16.929 0.895 3.877 1.00 0.00 C ATOM 371 CE LYS A 25 18.423 0.597 3.699 1.00 0.00 C ATOM 372 NZ LYS A 25 19.259 1.706 4.204 1.00 0.00 N ATOM 0 H LYS A 25 12.641 1.993 4.028 1.00 0.00 H new ATOM 0 HA LYS A 25 14.559 1.052 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.508 0.383 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.071 -1.028 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.416 -1.198 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.176 -0.492 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.655 1.761 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.730 1.155 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.677 -0.322 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.639 0.428 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.263 1.473 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.032 2.577 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.070 1.850 5.217 1.00 0.00 H new ATOM 386 N HIS A 26 12.876 -0.978 1.534 1.00 0.00 N ATOM 387 CA HIS A 26 11.876 -2.005 1.325 1.00 0.00 C ATOM 388 C HIS A 26 11.760 -2.781 2.653 1.00 0.00 C ATOM 389 O HIS A 26 11.414 -2.202 3.677 1.00 0.00 O ATOM 390 CB HIS A 26 12.285 -2.868 0.118 1.00 0.00 C ATOM 391 CG HIS A 26 12.689 -2.085 -1.111 1.00 0.00 C ATOM 392 ND1 HIS A 26 13.979 -1.947 -1.575 1.00 0.00 N ATOM 393 CD2 HIS A 26 11.870 -1.400 -1.971 1.00 0.00 C ATOM 394 CE1 HIS A 26 13.934 -1.195 -2.688 1.00 0.00 C ATOM 395 NE2 HIS A 26 12.671 -0.848 -2.974 1.00 0.00 N ATOM 0 H HIS A 26 13.778 -1.185 1.106 1.00 0.00 H new ATOM 0 HA HIS A 26 10.891 -1.608 1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.115 -3.510 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.453 -3.522 -0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.797 -1.304 -1.888 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.797 -0.910 -3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.356 -0.290 -3.768 1.00 0.00 H new ATOM 403 N LYS A 27 12.167 -4.056 2.679 1.00 0.00 N ATOM 404 CA LYS A 27 12.374 -4.831 3.895 1.00 0.00 C ATOM 405 C LYS A 27 11.049 -5.153 4.589 1.00 0.00 C ATOM 406 O LYS A 27 10.779 -4.697 5.697 1.00 0.00 O ATOM 407 CB LYS A 27 13.399 -4.156 4.823 1.00 0.00 C ATOM 408 CG LYS A 27 13.927 -5.167 5.847 1.00 0.00 C ATOM 409 CD LYS A 27 14.789 -4.477 6.907 1.00 0.00 C ATOM 410 CE LYS A 27 15.316 -5.548 7.870 1.00 0.00 C ATOM 411 NZ LYS A 27 16.114 -4.975 8.974 1.00 0.00 N ATOM 0 H LYS A 27 12.365 -4.585 1.830 1.00 0.00 H new ATOM 0 HA LYS A 27 12.806 -5.792 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.225 -3.756 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.936 -3.313 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.090 -5.674 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.513 -5.932 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.618 -3.948 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.203 -3.734 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.475 -6.104 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.927 -6.260 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.446 -5.740 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.933 -4.466 8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.526 -4.315 9.521 1.00 0.00 H new ATOM 425 N THR A 28 10.274 -6.037 3.960 1.00 0.00 N ATOM 426 CA THR A 28 8.986 -6.545 4.432 1.00 0.00 C ATOM 427 C THR A 28 7.838 -5.628 4.011 1.00 0.00 C ATOM 428 O THR A 28 6.715 -5.847 4.433 1.00 0.00 O ATOM 429 CB THR A 28 8.948 -6.863 5.946 1.00 0.00 C ATOM 430 OG1 THR A 28 10.224 -7.232 6.429 1.00 0.00 O ATOM 431 CG2 THR A 28 7.995 -8.022 6.262 1.00 0.00 C ATOM 0 H THR A 28 10.542 -6.439 3.061 1.00 0.00 H new ATOM 0 HA THR A 28 8.850 -7.507 3.939 1.00 0.00 H new ATOM 0 HB THR A 28 8.604 -5.949 6.431 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.712 -6.430 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.998 -8.213 7.335 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.986 -7.761 5.943 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.323 -8.917 5.733 1.00 0.00 H new ATOM 439 N GLY A 29 8.085 -4.658 3.135 1.00 0.00 N ATOM 440 CA GLY A 29 7.068 -3.815 2.541 1.00 0.00 C ATOM 441 C GLY A 29 7.834 -2.884 1.615 1.00 0.00 C ATOM 442 O GLY A 29 8.815 -2.293 2.055 1.00 0.00 O ATOM 0 H GLY A 29 9.027 -4.436 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.335 -4.406 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.522 -3.257 3.302 1.00 0.00 H new ATOM 446 N PRO A 30 7.522 -2.806 0.316 1.00 0.00 N ATOM 447 CA PRO A 30 8.256 -1.911 -0.557 1.00 0.00 C ATOM 448 C PRO A 30 7.878 -0.477 -0.180 1.00 0.00 C ATOM 449 O PRO A 30 6.700 -0.203 0.051 1.00 0.00 O ATOM 450 CB PRO A 30 7.820 -2.287 -1.974 1.00 0.00 C ATOM 451 CG PRO A 30 6.390 -2.777 -1.757 1.00 0.00 C ATOM 452 CD PRO A 30 6.438 -3.463 -0.394 1.00 0.00 C ATOM 0 HA PRO A 30 9.340 -1.988 -0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.859 -1.434 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.455 -3.063 -2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.680 -1.950 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.082 -3.468 -2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.493 -3.352 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.623 -4.532 -0.496 1.00 0.00 H new ATOM 460 N ASN A 31 8.836 0.451 -0.090 1.00 0.00 N ATOM 461 CA ASN A 31 8.465 1.842 0.114 1.00 0.00 C ATOM 462 C ASN A 31 7.620 2.284 -1.082 1.00 0.00 C ATOM 463 O ASN A 31 8.026 2.114 -2.229 1.00 0.00 O ATOM 464 CB ASN A 31 9.682 2.743 0.355 1.00 0.00 C ATOM 465 CG ASN A 31 10.596 2.890 -0.855 1.00 0.00 C ATOM 466 OD1 ASN A 31 11.066 1.901 -1.406 1.00 0.00 O ATOM 467 ND2 ASN A 31 10.889 4.127 -1.255 1.00 0.00 N ATOM 0 H ASN A 31 9.838 0.269 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 31 7.874 1.937 1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.335 3.731 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.260 2.340 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.522 4.272 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.481 4.929 -0.774 1.00 0.00 H new ATOM 474 N LEU A 32 6.416 2.785 -0.800 1.00 0.00 N ATOM 475 CA LEU A 32 5.332 3.009 -1.750 1.00 0.00 C ATOM 476 C LEU A 32 5.609 4.243 -2.626 1.00 0.00 C ATOM 477 O LEU A 32 4.829 5.194 -2.668 1.00 0.00 O ATOM 478 CB LEU A 32 4.018 3.136 -0.955 1.00 0.00 C ATOM 479 CG LEU A 32 3.720 1.972 0.014 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.488 2.300 0.865 1.00 0.00 C ATOM 481 CD2 LEU A 32 3.482 0.652 -0.723 1.00 0.00 C ATOM 0 H LEU A 32 6.160 3.059 0.149 1.00 0.00 H new ATOM 0 HA LEU A 32 5.251 2.168 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.046 4.064 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.192 3.220 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 32 4.598 1.851 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.285 1.473 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.674 3.207 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.627 2.454 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.276 -0.137 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.630 0.759 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.369 0.392 -1.300 1.00 0.00 H new ATOM 493 N HIS A 33 6.741 4.228 -3.331 1.00 0.00 N ATOM 494 CA HIS A 33 7.324 5.349 -4.047 1.00 0.00 C ATOM 495 C HIS A 33 6.595 5.561 -5.378 1.00 0.00 C ATOM 496 O HIS A 33 7.170 5.388 -6.453 1.00 0.00 O ATOM 497 CB HIS A 33 8.821 5.045 -4.226 1.00 0.00 C ATOM 498 CG HIS A 33 9.665 6.191 -4.750 1.00 0.00 C ATOM 499 ND1 HIS A 33 10.130 7.260 -3.963 1.00 0.00 N ATOM 500 CD2 HIS A 33 10.134 6.210 -6.031 1.00 0.00 C ATOM 501 CE1 HIS A 33 10.896 7.861 -4.916 1.00 0.00 C ATOM 502 NE2 HIS A 33 10.942 7.311 -6.134 1.00 0.00 N ATOM 0 H HIS A 33 7.303 3.381 -3.419 1.00 0.00 H new ATOM 0 HA HIS A 33 7.216 6.282 -3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.226 4.729 -3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.923 4.201 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.912 5.497 -6.811 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.452 8.759 -4.693 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.459 7.636 -6.951 1.00 0.00 H new ATOM 510 N GLY A 34 5.318 5.932 -5.315 1.00 0.00 N ATOM 511 CA GLY A 34 4.515 6.194 -6.498 1.00 0.00 C ATOM 512 C GLY A 34 3.704 4.961 -6.867 1.00 0.00 C ATOM 513 O GLY A 34 4.184 4.125 -7.628 1.00 0.00 O ATOM 0 H GLY A 34 4.813 6.059 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.847 7.036 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.161 6.476 -7.330 1.00 0.00 H new ATOM 517 N LEU A 35 2.490 4.851 -6.324 1.00 0.00 N ATOM 518 CA LEU A 35 1.578 3.745 -6.587 1.00 0.00 C ATOM 519 C LEU A 35 0.656 4.093 -7.752 1.00 0.00 C ATOM 520 O LEU A 35 0.637 3.407 -8.771 1.00 0.00 O ATOM 521 CB LEU A 35 0.741 3.454 -5.334 1.00 0.00 C ATOM 522 CG LEU A 35 1.556 2.986 -4.122 1.00 0.00 C ATOM 523 CD1 LEU A 35 0.578 2.777 -2.961 1.00 0.00 C ATOM 524 CD2 LEU A 35 2.309 1.683 -4.415 1.00 0.00 C ATOM 0 H LEU A 35 2.110 5.543 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 35 2.159 2.860 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.192 4.355 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.001 2.691 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 35 2.305 3.738 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.126 2.443 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.071 3.716 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.159 2.023 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.875 1.383 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.595 0.900 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.993 1.838 -5.249 1.00 0.00 H new ATOM 536 N PHE A 36 -0.118 5.163 -7.576 1.00 0.00 N ATOM 537 CA PHE A 36 -1.197 5.562 -8.462 1.00 0.00 C ATOM 538 C PHE A 36 -0.679 5.759 -9.882 1.00 0.00 C ATOM 539 O PHE A 36 -0.007 6.750 -10.156 1.00 0.00 O ATOM 540 CB PHE A 36 -1.862 6.823 -7.897 1.00 0.00 C ATOM 541 CG PHE A 36 -2.631 6.546 -6.617 1.00 0.00 C ATOM 542 CD1 PHE A 36 -3.939 6.038 -6.705 1.00 0.00 C ATOM 543 CD2 PHE A 36 -1.978 6.555 -5.370 1.00 0.00 C ATOM 544 CE1 PHE A 36 -4.576 5.538 -5.559 1.00 0.00 C ATOM 545 CE2 PHE A 36 -2.625 6.062 -4.224 1.00 0.00 C ATOM 546 CZ PHE A 36 -3.941 5.587 -4.311 1.00 0.00 C ATOM 0 H PHE A 36 -0.002 5.794 -6.783 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.951 4.776 -8.517 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.099 7.578 -7.704 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.540 7.239 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.453 6.033 -7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.973 6.943 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.565 5.111 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.108 6.049 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.462 5.261 -3.423 1.00 0.00 H new ATOM 556 N GLY A 37 -0.993 4.816 -10.777 1.00 0.00 N ATOM 557 CA GLY A 37 -0.571 4.887 -12.171 1.00 0.00 C ATOM 558 C GLY A 37 0.616 3.973 -12.492 1.00 0.00 C ATOM 559 O GLY A 37 0.858 3.682 -13.662 1.00 0.00 O ATOM 0 H GLY A 37 -1.544 3.988 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.411 4.619 -12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.303 5.916 -12.410 1.00 0.00 H new ATOM 563 N ARG A 38 1.371 3.512 -11.489 1.00 0.00 N ATOM 564 CA ARG A 38 2.520 2.654 -11.706 1.00 0.00 C ATOM 565 C ARG A 38 2.041 1.215 -11.877 1.00 0.00 C ATOM 566 O ARG A 38 1.414 0.658 -10.978 1.00 0.00 O ATOM 567 CB ARG A 38 3.502 2.771 -10.532 1.00 0.00 C ATOM 568 CG ARG A 38 4.823 2.087 -10.907 1.00 0.00 C ATOM 569 CD ARG A 38 5.819 2.042 -9.742 1.00 0.00 C ATOM 570 NE ARG A 38 6.197 3.380 -9.261 1.00 0.00 N ATOM 571 CZ ARG A 38 7.201 4.135 -9.733 1.00 0.00 C ATOM 572 NH1 ARG A 38 7.819 3.782 -10.866 1.00 0.00 N ATOM 573 NH2 ARG A 38 7.591 5.232 -9.079 1.00 0.00 N ATOM 0 H ARG A 38 1.195 3.728 -10.508 1.00 0.00 H new ATOM 0 HA ARG A 38 3.045 2.964 -12.610 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.677 3.820 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.079 2.307 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.618 1.071 -11.244 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.275 2.616 -11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.383 1.475 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.715 1.508 -10.057 1.00 0.00 H new ATOM 0 HE ARG A 38 5.644 3.770 -8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.526 2.943 -11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.583 4.352 -11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.125 5.502 -8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.355 5.800 -9.445 1.00 0.00 H new ATOM 587 N LYS A 39 2.357 0.607 -13.023 1.00 0.00 N ATOM 588 CA LYS A 39 2.070 -0.797 -13.253 1.00 0.00 C ATOM 589 C LYS A 39 2.767 -1.684 -12.216 1.00 0.00 C ATOM 590 O LYS A 39 3.994 -1.746 -12.158 1.00 0.00 O ATOM 591 CB LYS A 39 2.351 -1.212 -14.700 1.00 0.00 C ATOM 592 CG LYS A 39 3.775 -0.951 -15.220 1.00 0.00 C ATOM 593 CD LYS A 39 3.757 0.027 -16.408 1.00 0.00 C ATOM 594 CE LYS A 39 4.979 -0.183 -17.313 1.00 0.00 C ATOM 595 NZ LYS A 39 4.958 0.721 -18.483 1.00 0.00 N ATOM 0 H LYS A 39 2.814 1.075 -13.806 1.00 0.00 H new ATOM 0 HA LYS A 39 1.000 -0.947 -13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.141 -2.277 -14.797 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.649 -0.688 -15.349 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.390 -0.543 -14.418 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.233 -1.892 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.844 -0.114 -16.986 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.745 1.053 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.890 -0.013 -16.739 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.005 -1.218 -17.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.799 0.549 -19.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.101 0.542 -19.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.959 1.709 -18.158 1.00 0.00 H new ATOM 609 N THR A 40 1.964 -2.340 -11.383 1.00 0.00 N ATOM 610 CA THR A 40 2.354 -3.312 -10.394 1.00 0.00 C ATOM 611 C THR A 40 2.931 -4.560 -11.059 1.00 0.00 C ATOM 612 O THR A 40 2.801 -4.757 -12.265 1.00 0.00 O ATOM 613 CB THR A 40 1.052 -3.645 -9.662 1.00 0.00 C ATOM 614 OG1 THR A 40 0.383 -2.430 -9.365 1.00 0.00 O ATOM 615 CG2 THR A 40 1.246 -4.480 -8.401 1.00 0.00 C ATOM 0 H THR A 40 0.955 -2.188 -11.391 1.00 0.00 H new ATOM 0 HA THR A 40 3.128 -2.937 -9.724 1.00 0.00 H new ATOM 0 HB THR A 40 0.452 -4.269 -10.324 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.294 -2.334 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.277 -4.674 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.720 -5.427 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.880 -3.938 -7.699 1.00 0.00 H new ATOM 623 N GLY A 41 3.518 -5.439 -10.248 1.00 0.00 N ATOM 624 CA GLY A 41 3.925 -6.758 -10.694 1.00 0.00 C ATOM 625 C GLY A 41 5.379 -6.767 -11.175 1.00 0.00 C ATOM 626 O GLY A 41 5.814 -7.717 -11.825 1.00 0.00 O ATOM 0 H GLY A 41 3.722 -5.251 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.807 -7.471 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.272 -7.087 -11.502 1.00 0.00 H new ATOM 630 N GLN A 42 6.136 -5.702 -10.877 1.00 0.00 N ATOM 631 CA GLN A 42 7.436 -5.451 -11.483 1.00 0.00 C ATOM 632 C GLN A 42 8.154 -4.333 -10.715 1.00 0.00 C ATOM 633 O GLN A 42 8.115 -3.176 -11.129 1.00 0.00 O ATOM 634 CB GLN A 42 7.226 -5.069 -12.962 1.00 0.00 C ATOM 635 CG GLN A 42 8.551 -4.976 -13.731 1.00 0.00 C ATOM 636 CD GLN A 42 8.370 -4.435 -15.149 1.00 0.00 C ATOM 637 OE1 GLN A 42 7.320 -3.914 -15.514 1.00 0.00 O ATOM 638 NE2 GLN A 42 9.409 -4.544 -15.971 1.00 0.00 N ATOM 0 H GLN A 42 5.855 -4.990 -10.203 1.00 0.00 H new ATOM 0 HA GLN A 42 8.059 -6.344 -11.436 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.583 -5.809 -13.439 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.707 -4.112 -13.018 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.239 -4.331 -13.185 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.010 -5.964 -13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.272 -4.980 -15.647 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.343 -4.191 -16.926 1.00 0.00 H new ATOM 647 N ALA A 43 8.823 -4.667 -9.607 1.00 0.00 N ATOM 648 CA ALA A 43 9.635 -3.713 -8.850 1.00 0.00 C ATOM 649 C ALA A 43 11.128 -3.982 -9.095 1.00 0.00 C ATOM 650 O ALA A 43 11.551 -5.138 -9.056 1.00 0.00 O ATOM 651 CB ALA A 43 9.291 -3.806 -7.365 1.00 0.00 C ATOM 0 H ALA A 43 8.816 -5.607 -9.211 1.00 0.00 H new ATOM 0 HA ALA A 43 9.416 -2.700 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.898 -3.094 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.236 -3.575 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.494 -4.815 -7.007 1.00 0.00 H new ATOM 657 N PRO A 44 11.953 -2.955 -9.354 1.00 0.00 N ATOM 658 CA PRO A 44 13.343 -3.138 -9.747 1.00 0.00 C ATOM 659 C PRO A 44 14.233 -3.442 -8.533 1.00 0.00 C ATOM 660 O PRO A 44 15.093 -2.644 -8.169 1.00 0.00 O ATOM 661 CB PRO A 44 13.718 -1.827 -10.448 1.00 0.00 C ATOM 662 CG PRO A 44 12.890 -0.794 -9.684 1.00 0.00 C ATOM 663 CD PRO A 44 11.587 -1.548 -9.415 1.00 0.00 C ATOM 0 HA PRO A 44 13.486 -3.994 -10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.786 -1.622 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.464 -1.847 -11.508 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.379 -0.485 -8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.723 0.108 -10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.131 -1.221 -8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.859 -1.367 -10.206 1.00 0.00 H new ATOM 671 N GLY A 45 14.046 -4.612 -7.917 1.00 0.00 N ATOM 672 CA GLY A 45 14.920 -5.094 -6.856 1.00 0.00 C ATOM 673 C GLY A 45 14.208 -6.154 -6.026 1.00 0.00 C ATOM 674 O GLY A 45 14.476 -7.345 -6.160 1.00 0.00 O ATOM 0 H GLY A 45 13.282 -5.249 -8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.831 -5.510 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.220 -4.263 -6.217 1.00 0.00 H new ATOM 678 N PHE A 46 13.282 -5.710 -5.175 1.00 0.00 N ATOM 679 CA PHE A 46 12.425 -6.567 -4.371 1.00 0.00 C ATOM 680 C PHE A 46 11.022 -6.464 -4.953 1.00 0.00 C ATOM 681 O PHE A 46 10.386 -5.422 -4.815 1.00 0.00 O ATOM 682 CB PHE A 46 12.467 -6.110 -2.909 1.00 0.00 C ATOM 683 CG PHE A 46 11.287 -6.570 -2.073 1.00 0.00 C ATOM 684 CD1 PHE A 46 11.030 -7.940 -1.870 1.00 0.00 C ATOM 685 CD2 PHE A 46 10.343 -5.620 -1.648 1.00 0.00 C ATOM 686 CE1 PHE A 46 9.839 -8.346 -1.237 1.00 0.00 C ATOM 687 CE2 PHE A 46 9.206 -6.027 -0.938 1.00 0.00 C ATOM 688 CZ PHE A 46 8.938 -7.389 -0.749 1.00 0.00 C ATOM 0 H PHE A 46 13.107 -4.716 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 46 12.756 -7.605 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.386 -6.479 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.513 -5.021 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.746 -8.679 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.494 -4.574 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.619 -9.398 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.532 -5.286 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.043 -7.700 -0.231 1.00 0.00 H new ATOM 698 N THR A 47 10.559 -7.526 -5.618 1.00 0.00 N ATOM 699 CA THR A 47 9.268 -7.560 -6.291 1.00 0.00 C ATOM 700 C THR A 47 8.381 -8.652 -5.699 1.00 0.00 C ATOM 701 O THR A 47 7.728 -9.402 -6.421 1.00 0.00 O ATOM 702 CB THR A 47 9.474 -7.583 -7.813 1.00 0.00 C ATOM 703 OG1 THR A 47 8.291 -7.275 -8.537 1.00 0.00 O ATOM 704 CG2 THR A 47 10.119 -8.873 -8.313 1.00 0.00 C ATOM 0 H THR A 47 11.083 -8.397 -5.702 1.00 0.00 H new ATOM 0 HA THR A 47 8.701 -6.647 -6.109 1.00 0.00 H new ATOM 0 HB THR A 47 10.185 -6.782 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.551 -7.136 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.237 -8.825 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.097 -8.995 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.485 -9.721 -8.054 1.00 0.00 H new ATOM 712 N TYR A 48 8.296 -8.636 -4.364 1.00 0.00 N ATOM 713 CA TYR A 48 7.234 -9.259 -3.592 1.00 0.00 C ATOM 714 C TYR A 48 7.040 -10.758 -3.856 1.00 0.00 C ATOM 715 O TYR A 48 7.870 -11.417 -4.480 1.00 0.00 O ATOM 716 CB TYR A 48 5.943 -8.420 -3.690 1.00 0.00 C ATOM 717 CG TYR A 48 5.828 -7.369 -4.775 1.00 0.00 C ATOM 718 CD1 TYR A 48 5.316 -7.717 -6.036 1.00 0.00 C ATOM 719 CD2 TYR A 48 6.164 -6.031 -4.502 1.00 0.00 C ATOM 720 CE1 TYR A 48 5.180 -6.736 -7.028 1.00 0.00 C ATOM 721 CE2 TYR A 48 6.003 -5.046 -5.494 1.00 0.00 C ATOM 722 CZ TYR A 48 5.486 -5.399 -6.753 1.00 0.00 C ATOM 723 OH TYR A 48 5.370 -4.482 -7.756 1.00 0.00 O ATOM 0 H TYR A 48 8.991 -8.172 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 48 7.550 -9.253 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.110 -9.112 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.803 -7.920 -2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.028 -8.738 -6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.546 -5.759 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.836 -7.015 -8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.276 -4.021 -5.289 1.00 0.00 H new ATOM 0 HH TYR A 48 5.614 -3.595 -7.418 1.00 0.00 H new ATOM 733 N THR A 49 5.960 -11.314 -3.306 1.00 0.00 N ATOM 734 CA THR A 49 5.505 -12.654 -3.669 1.00 0.00 C ATOM 735 C THR A 49 5.095 -12.687 -5.141 1.00 0.00 C ATOM 736 O THR A 49 4.623 -11.682 -5.657 1.00 0.00 O ATOM 737 CB THR A 49 4.328 -13.081 -2.781 1.00 0.00 C ATOM 738 OG1 THR A 49 3.330 -12.075 -2.709 1.00 0.00 O ATOM 739 CG2 THR A 49 4.850 -13.422 -1.390 1.00 0.00 C ATOM 0 H THR A 49 5.382 -10.853 -2.603 1.00 0.00 H new ATOM 0 HA THR A 49 6.326 -13.354 -3.515 1.00 0.00 H new ATOM 0 HB THR A 49 3.861 -13.960 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.607 -11.385 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.019 -13.726 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.570 -14.237 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.335 -12.546 -0.959 1.00 0.00 H new ATOM 747 N ASP A 50 5.222 -13.844 -5.795 1.00 0.00 N ATOM 748 CA ASP A 50 4.679 -14.162 -7.116 1.00 0.00 C ATOM 749 C ASP A 50 3.184 -13.885 -7.178 1.00 0.00 C ATOM 750 O ASP A 50 2.712 -13.356 -8.172 1.00 0.00 O ATOM 751 CB ASP A 50 4.975 -15.636 -7.429 1.00 0.00 C ATOM 752 CG ASP A 50 4.284 -16.599 -6.466 1.00 0.00 C ATOM 753 OD1 ASP A 50 4.080 -16.183 -5.300 1.00 0.00 O ATOM 754 OD2 ASP A 50 3.968 -17.718 -6.916 1.00 0.00 O ATOM 0 H ASP A 50 5.736 -14.628 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 50 5.154 -13.526 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.655 -15.857 -8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.052 -15.801 -7.390 1.00 0.00 H new ATOM 759 N ALA A 51 2.431 -14.197 -6.129 1.00 0.00 N ATOM 760 CA ALA A 51 1.002 -13.909 -6.082 1.00 0.00 C ATOM 761 C ALA A 51 0.716 -12.432 -6.369 1.00 0.00 C ATOM 762 O ALA A 51 -0.242 -12.105 -7.069 1.00 0.00 O ATOM 763 CB ALA A 51 0.436 -14.348 -4.729 1.00 0.00 C ATOM 0 H ALA A 51 2.791 -14.654 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 51 0.502 -14.476 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.632 -14.133 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.595 -15.418 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.942 -13.806 -3.930 1.00 0.00 H new ATOM 769 N ASN A 52 1.559 -11.539 -5.849 1.00 0.00 N ATOM 770 CA ASN A 52 1.450 -10.105 -6.082 1.00 0.00 C ATOM 771 C ASN A 52 2.162 -9.717 -7.381 1.00 0.00 C ATOM 772 O ASN A 52 1.681 -8.894 -8.154 1.00 0.00 O ATOM 773 CB ASN A 52 2.041 -9.387 -4.872 1.00 0.00 C ATOM 774 CG ASN A 52 1.569 -7.943 -4.743 1.00 0.00 C ATOM 775 OD1 ASN A 52 1.431 -7.216 -5.720 1.00 0.00 O ATOM 776 ND2 ASN A 52 1.278 -7.531 -3.514 1.00 0.00 N ATOM 0 H ASN A 52 2.343 -11.797 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 52 0.407 -9.812 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.773 -9.932 -3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.129 -9.402 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.929 -6.585 -3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.404 -8.161 -2.722 1.00 0.00 H new ATOM 783 N LYS A 53 3.296 -10.358 -7.666 1.00 0.00 N ATOM 784 CA LYS A 53 4.090 -10.104 -8.858 1.00 0.00 C ATOM 785 C LYS A 53 3.230 -10.356 -10.094 1.00 0.00 C ATOM 786 O LYS A 53 3.301 -9.644 -11.090 1.00 0.00 O ATOM 787 CB LYS A 53 5.335 -10.988 -8.884 1.00 0.00 C ATOM 788 CG LYS A 53 6.386 -10.372 -9.810 1.00 0.00 C ATOM 789 CD LYS A 53 7.481 -11.395 -10.135 1.00 0.00 C ATOM 790 CE LYS A 53 7.886 -11.224 -11.603 1.00 0.00 C ATOM 791 NZ LYS A 53 8.902 -12.213 -12.015 1.00 0.00 N ATOM 0 H LYS A 53 3.691 -11.079 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 53 4.422 -9.066 -8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.740 -11.092 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.075 -11.989 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.913 -10.032 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.828 -9.496 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.343 -11.247 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.118 -12.407 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.005 -11.324 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.276 -10.218 -11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.148 -12.062 -13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.753 -12.101 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.521 -13.173 -11.893 1.00 0.00 H new ATOM 805 N ASN A 54 2.408 -11.399 -10.011 1.00 0.00 N ATOM 806 CA ASN A 54 1.562 -11.857 -11.085 1.00 0.00 C ATOM 807 C ASN A 54 0.373 -10.898 -11.284 1.00 0.00 C ATOM 808 O ASN A 54 -0.354 -11.002 -12.266 1.00 0.00 O ATOM 809 CB ASN A 54 1.069 -13.278 -10.781 1.00 0.00 C ATOM 810 CG ASN A 54 0.428 -13.961 -11.987 1.00 0.00 C ATOM 811 OD1 ASN A 54 0.689 -13.615 -13.134 1.00 0.00 O ATOM 812 ND2 ASN A 54 -0.386 -14.984 -11.742 1.00 0.00 N ATOM 0 H ASN A 54 2.317 -11.959 -9.164 1.00 0.00 H new ATOM 0 HA ASN A 54 2.138 -11.873 -12.010 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.908 -13.881 -10.433 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.346 -13.239 -9.966 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.807 -15.498 -12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.589 -15.255 -10.780 1.00 0.00 H new ATOM 819 N LYS A 55 0.121 -10.003 -10.316 1.00 0.00 N ATOM 820 CA LYS A 55 -1.122 -9.239 -10.230 1.00 0.00 C ATOM 821 C LYS A 55 -1.293 -8.305 -11.434 1.00 0.00 C ATOM 822 O LYS A 55 -2.391 -8.198 -11.974 1.00 0.00 O ATOM 823 CB LYS A 55 -1.155 -8.471 -8.898 1.00 0.00 C ATOM 824 CG LYS A 55 -2.532 -7.931 -8.487 1.00 0.00 C ATOM 825 CD LYS A 55 -3.471 -9.014 -7.929 1.00 0.00 C ATOM 826 CE LYS A 55 -4.670 -9.291 -8.844 1.00 0.00 C ATOM 827 NZ LYS A 55 -5.604 -10.261 -8.229 1.00 0.00 N ATOM 0 H LYS A 55 0.782 -9.792 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.966 -9.928 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.791 -9.129 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.459 -7.634 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.399 -7.153 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.003 -7.462 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.909 -9.937 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.832 -8.705 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.195 -8.359 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.318 -9.678 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.550 -10.144 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.265 -11.228 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.654 -10.093 -7.204 1.00 0.00 H new ATOM 841 N GLY A 56 -0.216 -7.618 -11.834 1.00 0.00 N ATOM 842 CA GLY A 56 -0.163 -6.817 -13.055 1.00 0.00 C ATOM 843 C GLY A 56 -1.256 -5.745 -13.153 1.00 0.00 C ATOM 844 O GLY A 56 -1.768 -5.477 -14.237 1.00 0.00 O ATOM 0 H GLY A 56 0.657 -7.605 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.812 -6.333 -13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.243 -7.481 -13.915 1.00 0.00 H new ATOM 848 N ILE A 57 -1.595 -5.116 -12.025 1.00 0.00 N ATOM 849 CA ILE A 57 -2.522 -3.990 -11.951 1.00 0.00 C ATOM 850 C ILE A 57 -1.731 -2.678 -12.033 1.00 0.00 C ATOM 851 O ILE A 57 -0.600 -2.672 -12.511 1.00 0.00 O ATOM 852 CB ILE A 57 -3.381 -4.112 -10.679 1.00 0.00 C ATOM 853 CG1 ILE A 57 -2.495 -4.250 -9.431 1.00 0.00 C ATOM 854 CG2 ILE A 57 -4.350 -5.287 -10.847 1.00 0.00 C ATOM 855 CD1 ILE A 57 -3.204 -3.891 -8.130 1.00 0.00 C ATOM 0 H ILE A 57 -1.221 -5.385 -11.115 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.213 -3.996 -12.794 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.967 -3.204 -10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.133 -5.276 -9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.620 -3.610 -9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.964 -5.383 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.992 -5.109 -11.710 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.784 -6.206 -10.999 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.515 -4.013 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.542 -2.856 -8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.063 -4.547 -7.991 1.00 0.00 H new ATOM 867 N THR A 58 -2.313 -1.554 -11.603 1.00 0.00 N ATOM 868 CA THR A 58 -1.740 -0.229 -11.748 1.00 0.00 C ATOM 869 C THR A 58 -1.948 0.576 -10.456 1.00 0.00 C ATOM 870 O THR A 58 -2.194 1.780 -10.510 1.00 0.00 O ATOM 871 CB THR A 58 -2.412 0.382 -12.989 1.00 0.00 C ATOM 872 OG1 THR A 58 -2.404 -0.566 -14.040 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.719 1.639 -13.486 1.00 0.00 C ATOM 0 H THR A 58 -3.219 -1.550 -11.134 1.00 0.00 H new ATOM 0 HA THR A 58 -0.660 -0.238 -11.897 1.00 0.00 H new ATOM 0 HB THR A 58 -3.426 0.652 -12.693 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.833 -0.180 -14.832 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.242 2.020 -14.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.729 2.395 -12.701 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.688 1.405 -13.751 1.00 0.00 H new ATOM 881 N TRP A 59 -1.897 -0.126 -9.312 1.00 0.00 N ATOM 882 CA TRP A 59 -2.285 0.330 -7.977 1.00 0.00 C ATOM 883 C TRP A 59 -3.131 1.606 -7.981 1.00 0.00 C ATOM 884 O TRP A 59 -2.686 2.660 -7.533 1.00 0.00 O ATOM 885 CB TRP A 59 -1.055 0.448 -7.069 1.00 0.00 C ATOM 886 CG TRP A 59 -0.535 -0.840 -6.518 1.00 0.00 C ATOM 887 CD1 TRP A 59 0.739 -1.274 -6.611 1.00 0.00 C ATOM 888 CD2 TRP A 59 -1.239 -1.842 -5.718 1.00 0.00 C ATOM 889 NE1 TRP A 59 0.841 -2.515 -6.027 1.00 0.00 N ATOM 890 CE2 TRP A 59 -0.352 -2.930 -5.479 1.00 0.00 C ATOM 891 CE3 TRP A 59 -2.528 -1.936 -5.146 1.00 0.00 C ATOM 892 CZ2 TRP A 59 -0.740 -4.081 -4.776 1.00 0.00 C ATOM 893 CZ3 TRP A 59 -2.891 -3.039 -4.352 1.00 0.00 C ATOM 894 CH2 TRP A 59 -2.014 -4.124 -4.190 1.00 0.00 C ATOM 0 H TRP A 59 -1.561 -1.089 -9.300 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.943 -0.435 -7.564 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.256 0.932 -7.631 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.302 1.106 -6.236 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.551 -0.732 -7.072 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.700 -3.064 -6.003 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.246 -1.148 -5.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.068 -4.921 -4.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.853 -3.052 -3.862 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.319 -4.987 -3.617 1.00 0.00 H new ATOM 905 N LYS A 60 -4.368 1.494 -8.472 1.00 0.00 N ATOM 906 CA LYS A 60 -5.296 2.614 -8.524 1.00 0.00 C ATOM 907 C LYS A 60 -6.199 2.602 -7.290 1.00 0.00 C ATOM 908 O LYS A 60 -6.203 1.633 -6.520 1.00 0.00 O ATOM 909 CB LYS A 60 -6.113 2.574 -9.824 1.00 0.00 C ATOM 910 CG LYS A 60 -6.917 1.275 -10.012 1.00 0.00 C ATOM 911 CD LYS A 60 -6.479 0.493 -11.259 1.00 0.00 C ATOM 912 CE LYS A 60 -6.955 1.152 -12.565 1.00 0.00 C ATOM 913 NZ LYS A 60 -8.373 0.852 -12.861 1.00 0.00 N ATOM 0 H LYS A 60 -4.749 0.623 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.733 3.547 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.800 3.420 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.438 2.698 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.797 0.645 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.977 1.515 -10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.392 0.414 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.872 -0.522 -11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.821 2.231 -12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.333 0.807 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.797 1.651 -13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.432 -0.006 -13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.889 0.700 -11.971 1.00 0.00 H new ATOM 927 N GLU A 61 -7.031 3.642 -7.153 1.00 0.00 N ATOM 928 CA GLU A 61 -7.949 3.847 -6.023 1.00 0.00 C ATOM 929 C GLU A 61 -9.191 2.942 -6.079 1.00 0.00 C ATOM 930 O GLU A 61 -10.288 3.337 -5.696 1.00 0.00 O ATOM 931 CB GLU A 61 -8.307 5.337 -5.858 1.00 0.00 C ATOM 932 CG GLU A 61 -8.844 6.045 -7.110 1.00 0.00 C ATOM 933 CD GLU A 61 -9.084 7.514 -6.792 1.00 0.00 C ATOM 934 OE1 GLU A 61 -9.670 7.810 -5.728 1.00 0.00 O ATOM 935 OE2 GLU A 61 -8.590 8.390 -7.531 1.00 0.00 O ATOM 0 H GLU A 61 -7.086 4.388 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.414 3.540 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.052 5.425 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.418 5.868 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.132 5.950 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.772 5.576 -7.438 1.00 0.00 H new ATOM 942 N GLU A 62 -8.982 1.699 -6.507 1.00 0.00 N ATOM 943 CA GLU A 62 -9.963 0.632 -6.576 1.00 0.00 C ATOM 944 C GLU A 62 -9.280 -0.599 -5.981 1.00 0.00 C ATOM 945 O GLU A 62 -9.701 -1.165 -4.974 1.00 0.00 O ATOM 946 CB GLU A 62 -10.361 0.393 -8.045 1.00 0.00 C ATOM 947 CG GLU A 62 -10.724 1.681 -8.799 1.00 0.00 C ATOM 948 CD GLU A 62 -11.058 1.380 -10.254 1.00 0.00 C ATOM 949 OE1 GLU A 62 -10.127 0.926 -10.958 1.00 0.00 O ATOM 950 OE2 GLU A 62 -12.216 1.605 -10.653 1.00 0.00 O ATOM 0 H GLU A 62 -8.064 1.397 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.876 0.870 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.537 -0.100 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.211 -0.289 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.576 2.162 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.892 2.383 -8.750 1.00 0.00 H new ATOM 957 N THR A 63 -8.149 -0.957 -6.590 1.00 0.00 N ATOM 958 CA THR A 63 -7.311 -2.052 -6.172 1.00 0.00 C ATOM 959 C THR A 63 -6.769 -1.778 -4.773 1.00 0.00 C ATOM 960 O THR A 63 -6.747 -2.672 -3.934 1.00 0.00 O ATOM 961 CB THR A 63 -6.207 -2.231 -7.223 1.00 0.00 C ATOM 962 OG1 THR A 63 -5.639 -0.983 -7.597 1.00 0.00 O ATOM 963 CG2 THR A 63 -6.810 -2.836 -8.495 1.00 0.00 C ATOM 0 H THR A 63 -7.791 -0.470 -7.412 1.00 0.00 H new ATOM 0 HA THR A 63 -7.870 -2.985 -6.107 1.00 0.00 H new ATOM 0 HB THR A 63 -5.443 -2.874 -6.785 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.959 -0.283 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.028 -2.964 -9.243 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.252 -3.805 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.580 -2.170 -8.885 1.00 0.00 H new ATOM 971 N LEU A 64 -6.359 -0.533 -4.505 1.00 0.00 N ATOM 972 CA LEU A 64 -5.925 -0.149 -3.176 1.00 0.00 C ATOM 973 C LEU A 64 -7.041 -0.336 -2.143 1.00 0.00 C ATOM 974 O LEU A 64 -6.781 -0.898 -1.086 1.00 0.00 O ATOM 975 CB LEU A 64 -5.380 1.285 -3.202 1.00 0.00 C ATOM 976 CG LEU A 64 -3.839 1.330 -3.172 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.291 1.908 -4.472 1.00 0.00 C ATOM 978 CD2 LEU A 64 -3.350 2.167 -1.991 1.00 0.00 C ATOM 0 H LEU A 64 -6.322 0.217 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.115 -0.808 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.738 1.790 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.773 1.836 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.475 0.309 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.202 1.931 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.609 1.286 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.670 2.921 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.260 2.187 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.732 3.184 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.709 1.728 -1.060 1.00 0.00 H new ATOM 990 N MET A 65 -8.275 0.102 -2.421 1.00 0.00 N ATOM 991 CA MET A 65 -9.396 -0.145 -1.527 1.00 0.00 C ATOM 992 C MET A 65 -9.562 -1.630 -1.244 1.00 0.00 C ATOM 993 O MET A 65 -9.591 -2.029 -0.082 1.00 0.00 O ATOM 994 CB MET A 65 -10.694 0.407 -2.117 1.00 0.00 C ATOM 995 CG MET A 65 -10.695 1.907 -1.894 1.00 0.00 C ATOM 996 SD MET A 65 -12.308 2.693 -1.918 1.00 0.00 S ATOM 997 CE MET A 65 -11.744 4.052 -0.898 1.00 0.00 C ATOM 0 H MET A 65 -8.515 0.629 -3.261 1.00 0.00 H new ATOM 0 HA MET A 65 -9.180 0.368 -0.590 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.760 0.178 -3.181 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.559 -0.052 -1.638 1.00 0.00 H new ATOM 0 HG2 MET A 65 -10.224 2.114 -0.933 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.073 2.371 -2.660 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.409 4.905 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.746 3.747 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.732 4.332 -1.192 1.00 0.00 H new ATOM 1007 N GLU A 66 -9.711 -2.436 -2.298 1.00 0.00 N ATOM 1008 CA GLU A 66 -9.999 -3.854 -2.128 1.00 0.00 C ATOM 1009 C GLU A 66 -8.887 -4.526 -1.309 1.00 0.00 C ATOM 1010 O GLU A 66 -9.148 -5.294 -0.381 1.00 0.00 O ATOM 1011 CB GLU A 66 -10.216 -4.510 -3.500 1.00 0.00 C ATOM 1012 CG GLU A 66 -10.970 -5.841 -3.355 1.00 0.00 C ATOM 1013 CD GLU A 66 -11.226 -6.542 -4.686 1.00 0.00 C ATOM 1014 OE1 GLU A 66 -10.869 -5.956 -5.730 1.00 0.00 O ATOM 1015 OE2 GLU A 66 -11.738 -7.681 -4.624 1.00 0.00 O ATOM 0 H GLU A 66 -9.637 -2.130 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.923 -3.983 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.779 -3.836 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.254 -4.683 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.398 -6.505 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.924 -5.657 -2.860 1.00 0.00 H new ATOM 1022 N TYR A 67 -7.634 -4.194 -1.626 1.00 0.00 N ATOM 1023 CA TYR A 67 -6.465 -4.724 -0.938 1.00 0.00 C ATOM 1024 C TYR A 67 -6.487 -4.326 0.531 1.00 0.00 C ATOM 1025 O TYR A 67 -6.514 -5.189 1.397 1.00 0.00 O ATOM 1026 CB TYR A 67 -5.209 -4.218 -1.647 1.00 0.00 C ATOM 1027 CG TYR A 67 -3.894 -4.790 -1.154 1.00 0.00 C ATOM 1028 CD1 TYR A 67 -3.684 -6.182 -1.113 1.00 0.00 C ATOM 1029 CD2 TYR A 67 -2.819 -3.926 -0.898 1.00 0.00 C ATOM 1030 CE1 TYR A 67 -2.424 -6.707 -0.788 1.00 0.00 C ATOM 1031 CE2 TYR A 67 -1.559 -4.453 -0.587 1.00 0.00 C ATOM 1032 CZ TYR A 67 -1.355 -5.839 -0.527 1.00 0.00 C ATOM 1033 OH TYR A 67 -0.119 -6.343 -0.272 1.00 0.00 O ATOM 0 H TYR A 67 -7.405 -3.542 -2.376 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.470 -5.813 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.302 -4.437 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.171 -3.133 -1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.501 -6.852 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.963 -2.856 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.278 -7.776 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.734 -3.784 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 67 0.193 -6.018 0.598 1.00 0.00 H new ATOM 1043 N LEU A 68 -6.475 -3.031 0.835 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.434 -2.577 2.221 1.00 0.00 C ATOM 1045 C LEU A 68 -7.636 -3.071 3.031 1.00 0.00 C ATOM 1046 O LEU A 68 -7.492 -3.315 4.229 1.00 0.00 O ATOM 1047 CB LEU A 68 -6.265 -1.051 2.325 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.804 -0.561 2.302 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.955 -1.219 3.396 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -4.128 -0.752 0.943 1.00 0.00 C ATOM 0 H LEU A 68 -6.493 -2.281 0.144 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.547 -3.028 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.804 -0.583 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.734 -0.709 3.248 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.862 0.510 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.934 -0.842 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.375 -0.984 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.952 -2.300 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.102 -0.387 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.125 -1.811 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.675 -0.194 0.183 1.00 0.00 H new ATOM 1062 N GLU A 69 -8.808 -3.238 2.407 1.00 0.00 N ATOM 1063 CA GLU A 69 -9.941 -3.853 3.083 1.00 0.00 C ATOM 1064 C GLU A 69 -9.607 -5.308 3.432 1.00 0.00 C ATOM 1065 O GLU A 69 -9.801 -5.728 4.571 1.00 0.00 O ATOM 1066 CB GLU A 69 -11.221 -3.763 2.231 1.00 0.00 C ATOM 1067 CG GLU A 69 -12.469 -3.973 3.110 1.00 0.00 C ATOM 1068 CD GLU A 69 -13.745 -4.168 2.300 1.00 0.00 C ATOM 1069 OE1 GLU A 69 -13.749 -5.091 1.462 1.00 0.00 O ATOM 1070 OE2 GLU A 69 -14.685 -3.364 2.504 1.00 0.00 O ATOM 0 H GLU A 69 -8.990 -2.957 1.444 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.134 -3.306 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.272 -2.790 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.194 -4.515 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.314 -4.843 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.591 -3.113 3.768 1.00 0.00 H new ATOM 1077 N ASN A 70 -9.139 -6.087 2.448 1.00 0.00 N ATOM 1078 CA ASN A 70 -9.027 -7.536 2.578 1.00 0.00 C ATOM 1079 C ASN A 70 -7.827 -8.091 1.803 1.00 0.00 C ATOM 1080 O ASN A 70 -7.997 -8.744 0.775 1.00 0.00 O ATOM 1081 CB ASN A 70 -10.327 -8.162 2.068 1.00 0.00 C ATOM 1082 CG ASN A 70 -10.580 -9.514 2.718 1.00 0.00 C ATOM 1083 OD1 ASN A 70 -9.648 -10.224 3.087 1.00 0.00 O ATOM 1084 ND2 ASN A 70 -11.850 -9.872 2.892 1.00 0.00 N ATOM 0 H ASN A 70 -8.830 -5.727 1.545 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.865 -7.787 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.162 -7.493 2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.277 -8.280 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.073 -10.759 3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.601 -9.259 2.574 1.00 0.00 H new ATOM 1091 N PRO A 71 -6.596 -7.869 2.271 1.00 0.00 N ATOM 1092 CA PRO A 71 -5.420 -8.004 1.426 1.00 0.00 C ATOM 1093 C PRO A 71 -5.157 -9.460 1.050 1.00 0.00 C ATOM 1094 O PRO A 71 -4.901 -9.765 -0.114 1.00 0.00 O ATOM 1095 CB PRO A 71 -4.276 -7.333 2.189 1.00 0.00 C ATOM 1096 CG PRO A 71 -4.748 -7.344 3.643 1.00 0.00 C ATOM 1097 CD PRO A 71 -6.273 -7.300 3.562 1.00 0.00 C ATOM 0 HA PRO A 71 -5.549 -7.515 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.341 -7.879 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.100 -6.318 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.406 -8.239 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.357 -6.487 4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.728 -7.872 4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.643 -6.278 3.647 1.00 0.00 H new ATOM 1105 N LYS A 72 -5.280 -10.365 2.025 1.00 0.00 N ATOM 1106 CA LYS A 72 -5.223 -11.796 1.783 1.00 0.00 C ATOM 1107 C LYS A 72 -6.262 -12.258 0.758 1.00 0.00 C ATOM 1108 O LYS A 72 -6.021 -13.244 0.067 1.00 0.00 O ATOM 1109 CB LYS A 72 -5.421 -12.555 3.099 1.00 0.00 C ATOM 1110 CG LYS A 72 -4.148 -12.604 3.957 1.00 0.00 C ATOM 1111 CD LYS A 72 -4.235 -13.729 5.001 1.00 0.00 C ATOM 1112 CE LYS A 72 -5.373 -13.498 6.008 1.00 0.00 C ATOM 1113 NZ LYS A 72 -5.508 -14.619 6.961 1.00 0.00 N ATOM 0 H LYS A 72 -5.422 -10.118 3.004 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.239 -12.015 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.220 -12.081 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.746 -13.572 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.279 -12.762 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.005 -11.647 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.388 -14.682 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.288 -13.801 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.188 -12.575 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.311 -13.365 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.287 -14.421 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.710 -15.496 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.622 -14.730 7.494 1.00 0.00 H new ATOM 1127 N LYS A 73 -7.427 -11.606 0.673 1.00 0.00 N ATOM 1128 CA LYS A 73 -8.422 -12.013 -0.306 1.00 0.00 C ATOM 1129 C LYS A 73 -8.031 -11.458 -1.674 1.00 0.00 C ATOM 1130 O LYS A 73 -7.970 -12.211 -2.644 1.00 0.00 O ATOM 1131 CB LYS A 73 -9.830 -11.586 0.118 1.00 0.00 C ATOM 1132 CG LYS A 73 -10.872 -12.375 -0.682 1.00 0.00 C ATOM 1133 CD LYS A 73 -12.254 -11.725 -0.571 1.00 0.00 C ATOM 1134 CE LYS A 73 -13.278 -12.575 -1.338 1.00 0.00 C ATOM 1135 NZ LYS A 73 -14.560 -11.866 -1.527 1.00 0.00 N ATOM 0 H LYS A 73 -7.694 -10.814 1.258 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.447 -13.101 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.968 -11.761 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.962 -10.517 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.572 -12.424 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.918 -13.400 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.546 -11.640 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.227 -10.714 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.867 -12.846 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.455 -13.504 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.221 -12.477 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.966 -11.630 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.397 -10.992 -2.066 1.00 0.00 H new ATOM 1149 N TYR A 74 -7.768 -10.148 -1.756 1.00 0.00 N ATOM 1150 CA TYR A 74 -7.362 -9.506 -2.998 1.00 0.00 C ATOM 1151 C TYR A 74 -6.204 -10.240 -3.693 1.00 0.00 C ATOM 1152 O TYR A 74 -6.204 -10.397 -4.920 1.00 0.00 O ATOM 1153 CB TYR A 74 -6.980 -8.057 -2.690 1.00 0.00 C ATOM 1154 CG TYR A 74 -6.735 -7.233 -3.933 1.00 0.00 C ATOM 1155 CD1 TYR A 74 -7.809 -7.022 -4.810 1.00 0.00 C ATOM 1156 CD2 TYR A 74 -5.433 -6.869 -4.324 1.00 0.00 C ATOM 1157 CE1 TYR A 74 -7.585 -6.512 -6.095 1.00 0.00 C ATOM 1158 CE2 TYR A 74 -5.203 -6.379 -5.621 1.00 0.00 C ATOM 1159 CZ TYR A 74 -6.277 -6.236 -6.513 1.00 0.00 C ATOM 1160 OH TYR A 74 -6.042 -5.996 -7.830 1.00 0.00 O ATOM 0 H TYR A 74 -7.832 -9.511 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.200 -9.539 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.775 -7.594 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.082 -8.047 -2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.815 -7.254 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.612 -6.966 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.417 -6.332 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.203 -6.113 -5.930 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.883 -6.057 -8.329 1.00 0.00 H new ATOM 1170 N ILE A 75 -5.207 -10.661 -2.905 1.00 0.00 N ATOM 1171 CA ILE A 75 -4.072 -11.461 -3.356 1.00 0.00 C ATOM 1172 C ILE A 75 -3.968 -12.712 -2.466 1.00 0.00 C ATOM 1173 O ILE A 75 -3.526 -12.600 -1.318 1.00 0.00 O ATOM 1174 CB ILE A 75 -2.787 -10.614 -3.336 1.00 0.00 C ATOM 1175 CG1 ILE A 75 -2.864 -9.552 -4.446 1.00 0.00 C ATOM 1176 CG2 ILE A 75 -1.546 -11.489 -3.590 1.00 0.00 C ATOM 1177 CD1 ILE A 75 -1.917 -8.381 -4.200 1.00 0.00 C ATOM 0 H ILE A 75 -5.171 -10.446 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.215 -11.787 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.701 -10.147 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.624 -10.014 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.886 -9.180 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.652 -10.866 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.474 -12.252 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.633 -11.969 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.011 -7.660 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.172 -7.899 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.891 -8.746 -4.155 1.00 0.00 H new ATOM 1189 N PRO A 76 -4.335 -13.903 -2.977 1.00 0.00 N ATOM 1190 CA PRO A 76 -4.351 -15.140 -2.208 1.00 0.00 C ATOM 1191 C PRO A 76 -2.923 -15.622 -1.941 1.00 0.00 C ATOM 1192 O PRO A 76 -2.432 -16.543 -2.588 1.00 0.00 O ATOM 1193 CB PRO A 76 -5.172 -16.128 -3.042 1.00 0.00 C ATOM 1194 CG PRO A 76 -4.893 -15.677 -4.473 1.00 0.00 C ATOM 1195 CD PRO A 76 -4.793 -14.158 -4.337 1.00 0.00 C ATOM 0 HA PRO A 76 -4.799 -15.018 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.857 -17.158 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.234 -16.076 -2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.971 -16.110 -4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.693 -15.970 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.096 -13.747 -5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.759 -13.686 -4.518 1.00 0.00 H new ATOM 1203 N GLY A 77 -2.273 -14.990 -0.965 1.00 0.00 N ATOM 1204 CA GLY A 77 -0.935 -15.329 -0.500 1.00 0.00 C ATOM 1205 C GLY A 77 0.040 -14.168 -0.674 1.00 0.00 C ATOM 1206 O GLY A 77 1.212 -14.385 -0.973 1.00 0.00 O ATOM 0 H GLY A 77 -2.680 -14.202 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.977 -15.613 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.569 -16.196 -1.050 1.00 0.00 H new ATOM 1210 N THR A 78 -0.423 -12.935 -0.441 1.00 0.00 N ATOM 1211 CA THR A 78 0.470 -11.817 -0.216 1.00 0.00 C ATOM 1212 C THR A 78 1.341 -12.131 1.000 1.00 0.00 C ATOM 1213 O THR A 78 0.910 -12.817 1.927 1.00 0.00 O ATOM 1214 CB THR A 78 -0.325 -10.512 -0.020 1.00 0.00 C ATOM 1215 OG1 THR A 78 0.543 -9.475 0.372 1.00 0.00 O ATOM 1216 CG2 THR A 78 -1.423 -10.598 1.045 1.00 0.00 C ATOM 0 H THR A 78 -1.414 -12.696 -0.405 1.00 0.00 H new ATOM 0 HA THR A 78 1.109 -11.669 -1.087 1.00 0.00 H new ATOM 0 HB THR A 78 -0.798 -10.322 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.212 -9.325 -0.329 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.934 -9.638 1.120 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.140 -11.370 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.977 -10.848 2.008 1.00 0.00 H new ATOM 1224 N LYS A 79 2.561 -11.597 1.003 1.00 0.00 N ATOM 1225 CA LYS A 79 3.422 -11.616 2.178 1.00 0.00 C ATOM 1226 C LYS A 79 3.071 -10.464 3.125 1.00 0.00 C ATOM 1227 O LYS A 79 3.654 -10.357 4.203 1.00 0.00 O ATOM 1228 CB LYS A 79 4.885 -11.623 1.721 1.00 0.00 C ATOM 1229 CG LYS A 79 5.920 -11.870 2.827 1.00 0.00 C ATOM 1230 CD LYS A 79 7.282 -12.139 2.170 1.00 0.00 C ATOM 1231 CE LYS A 79 8.319 -12.609 3.199 1.00 0.00 C ATOM 1232 NZ LYS A 79 9.578 -13.037 2.552 1.00 0.00 N ATOM 0 H LYS A 79 2.977 -11.140 0.191 1.00 0.00 H new ATOM 0 HA LYS A 79 3.262 -12.524 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.005 -12.391 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.105 -10.666 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.982 -11.005 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.622 -12.719 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.170 -12.896 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.637 -11.232 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.527 -11.801 3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.908 -13.436 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.254 -13.348 3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.384 -13.824 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.983 -12.240 2.020 1.00 0.00 H new ATOM 1246 N MET A 80 2.121 -9.603 2.750 1.00 0.00 N ATOM 1247 CA MET A 80 1.600 -8.584 3.635 1.00 0.00 C ATOM 1248 C MET A 80 0.814 -9.243 4.763 1.00 0.00 C ATOM 1249 O MET A 80 -0.041 -10.099 4.542 1.00 0.00 O ATOM 1250 CB MET A 80 0.724 -7.635 2.833 1.00 0.00 C ATOM 1251 CG MET A 80 0.225 -6.409 3.595 1.00 0.00 C ATOM 1252 SD MET A 80 0.198 -4.923 2.561 1.00 0.00 S ATOM 1253 CE MET A 80 -1.469 -4.256 2.806 1.00 0.00 C ATOM 0 H MET A 80 1.698 -9.601 1.822 1.00 0.00 H new ATOM 0 HA MET A 80 2.415 -8.013 4.080 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.285 -7.298 1.961 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.139 -8.188 2.462 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.778 -6.603 3.975 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.865 -6.236 4.460 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.587 -3.347 2.217 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.206 -4.993 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.618 -4.027 3.861 1.00 0.00 H new ATOM 1263 N ILE A 81 1.120 -8.820 5.982 1.00 0.00 N ATOM 1264 CA ILE A 81 0.563 -9.353 7.210 1.00 0.00 C ATOM 1265 C ILE A 81 -0.398 -8.297 7.733 1.00 0.00 C ATOM 1266 O ILE A 81 -0.031 -7.431 8.524 1.00 0.00 O ATOM 1267 CB ILE A 81 1.697 -9.671 8.193 1.00 0.00 C ATOM 1268 CG1 ILE A 81 2.760 -10.613 7.594 1.00 0.00 C ATOM 1269 CG2 ILE A 81 1.153 -10.243 9.510 1.00 0.00 C ATOM 1270 CD1 ILE A 81 2.211 -11.954 7.093 1.00 0.00 C ATOM 0 H ILE A 81 1.789 -8.067 6.145 1.00 0.00 H new ATOM 0 HA ILE A 81 0.025 -10.289 7.059 1.00 0.00 H new ATOM 0 HB ILE A 81 2.191 -8.722 8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.253 -10.104 6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.523 -10.806 8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.983 -10.457 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.487 -9.516 9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.603 -11.162 9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.027 -12.553 6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.745 -12.488 7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.471 -11.776 6.313 1.00 0.00 H new ATOM 1282 N PHE A 82 -1.628 -8.337 7.229 1.00 0.00 N ATOM 1283 CA PHE A 82 -2.662 -7.377 7.554 1.00 0.00 C ATOM 1284 C PHE A 82 -3.993 -8.066 7.248 1.00 0.00 C ATOM 1285 O PHE A 82 -4.015 -8.976 6.418 1.00 0.00 O ATOM 1286 CB PHE A 82 -2.416 -6.100 6.736 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.789 -4.823 7.451 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -1.924 -4.309 8.436 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -3.952 -4.118 7.098 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -2.228 -3.098 9.079 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -4.256 -2.913 7.749 1.00 0.00 C ATOM 1292 CZ PHE A 82 -3.408 -2.411 8.752 1.00 0.00 C ATOM 0 H PHE A 82 -1.933 -9.054 6.571 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.667 -7.069 8.599 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.362 -6.055 6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.984 -6.162 5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.025 -4.847 8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.608 -4.501 6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.556 -2.696 9.823 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.148 -2.367 7.478 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.664 -1.499 9.270 1.00 0.00 H new ATOM 1302 N ALA A 83 -5.071 -7.717 7.957 1.00 0.00 N ATOM 1303 CA ALA A 83 -6.314 -8.494 7.911 1.00 0.00 C ATOM 1304 C ALA A 83 -7.573 -7.650 8.141 1.00 0.00 C ATOM 1305 O ALA A 83 -8.657 -8.197 8.323 1.00 0.00 O ATOM 1306 CB ALA A 83 -6.227 -9.609 8.960 1.00 0.00 C ATOM 0 H ALA A 83 -5.108 -6.902 8.569 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.410 -8.904 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.144 -10.199 8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.376 -10.253 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.099 -9.169 9.949 1.00 0.00 H new ATOM 1312 N GLY A 84 -7.432 -6.327 8.167 1.00 0.00 N ATOM 1313 CA GLY A 84 -8.449 -5.392 8.611 1.00 0.00 C ATOM 1314 C GLY A 84 -7.684 -4.194 9.154 1.00 0.00 C ATOM 1315 O GLY A 84 -6.485 -4.324 9.402 1.00 0.00 O ATOM 0 H GLY A 84 -6.573 -5.865 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.102 -5.101 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.082 -5.835 9.379 1.00 0.00 H new ATOM 1319 N ILE A 85 -8.331 -3.031 9.283 1.00 0.00 N ATOM 1320 CA ILE A 85 -7.608 -1.780 9.476 1.00 0.00 C ATOM 1321 C ILE A 85 -8.153 -0.978 10.658 1.00 0.00 C ATOM 1322 O ILE A 85 -7.384 -0.546 11.521 1.00 0.00 O ATOM 1323 CB ILE A 85 -7.560 -1.019 8.138 1.00 0.00 C ATOM 1324 CG1 ILE A 85 -6.508 0.088 8.243 1.00 0.00 C ATOM 1325 CG2 ILE A 85 -8.915 -0.459 7.680 1.00 0.00 C ATOM 1326 CD1 ILE A 85 -6.022 0.581 6.880 1.00 0.00 C ATOM 0 H ILE A 85 -9.346 -2.935 9.257 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.576 -1.982 9.763 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.287 -1.737 7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.926 0.927 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.656 -0.281 8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.791 0.062 6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.624 -1.278 7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.293 0.237 8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.278 1.365 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.576 -0.248 6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.865 0.978 6.315 1.00 0.00 H new ATOM 1338 N LYS A 86 -9.479 -0.799 10.709 1.00 0.00 N ATOM 1339 CA LYS A 86 -10.162 -0.113 11.780 1.00 0.00 C ATOM 1340 C LYS A 86 -11.663 -0.382 11.681 1.00 0.00 C ATOM 1341 O LYS A 86 -12.249 -0.991 12.571 1.00 0.00 O ATOM 1342 CB LYS A 86 -9.846 1.381 11.686 1.00 0.00 C ATOM 1343 CG LYS A 86 -10.625 2.189 12.718 1.00 0.00 C ATOM 1344 CD LYS A 86 -9.795 3.416 13.104 1.00 0.00 C ATOM 1345 CE LYS A 86 -10.500 4.334 14.105 1.00 0.00 C ATOM 1346 NZ LYS A 86 -9.583 5.398 14.564 1.00 0.00 N ATOM 0 H LYS A 86 -10.109 -1.140 9.983 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.824 -0.477 12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.777 1.537 11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.086 1.741 10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.588 2.497 12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.832 1.580 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.847 3.086 13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.559 3.984 12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.381 4.779 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.848 3.752 14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.076 6.013 15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.755 4.968 15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.271 5.963 13.749 1.00 0.00 H new ATOM 1360 N LYS A 87 -12.284 0.104 10.602 1.00 0.00 N ATOM 1361 CA LYS A 87 -13.722 0.008 10.385 1.00 0.00 C ATOM 1362 C LYS A 87 -14.037 0.378 8.936 1.00 0.00 C ATOM 1363 O LYS A 87 -14.570 -0.430 8.182 1.00 0.00 O ATOM 1364 CB LYS A 87 -14.466 0.942 11.360 1.00 0.00 C ATOM 1365 CG LYS A 87 -15.994 0.795 11.260 1.00 0.00 C ATOM 1366 CD LYS A 87 -16.544 0.017 12.462 1.00 0.00 C ATOM 1367 CE LYS A 87 -18.044 -0.256 12.278 1.00 0.00 C ATOM 1368 NZ LYS A 87 -18.641 -0.906 13.463 1.00 0.00 N ATOM 0 H LYS A 87 -11.791 0.581 9.847 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.055 -1.013 10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.149 0.726 12.380 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.189 1.975 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.457 1.781 11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.255 0.279 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.007 -0.925 12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.380 0.585 13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.561 0.683 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.192 -0.891 11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.654 -1.071 13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.166 -1.815 13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.524 -0.290 14.293 1.00 0.00 H new ATOM 1382 N LYS A 88 -13.739 1.628 8.573 1.00 0.00 N ATOM 1383 CA LYS A 88 -14.096 2.215 7.290 1.00 0.00 C ATOM 1384 C LYS A 88 -13.252 3.469 7.075 1.00 0.00 C ATOM 1385 O LYS A 88 -12.542 3.562 6.079 1.00 0.00 O ATOM 1386 CB LYS A 88 -15.604 2.525 7.247 1.00 0.00 C ATOM 1387 CG LYS A 88 -16.045 3.012 5.859 1.00 0.00 C ATOM 1388 CD LYS A 88 -17.550 3.316 5.848 1.00 0.00 C ATOM 1389 CE LYS A 88 -17.976 3.861 4.475 1.00 0.00 C ATOM 1390 NZ LYS A 88 -19.416 4.196 4.423 1.00 0.00 N ATOM 0 H LYS A 88 -13.231 2.271 9.181 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.891 1.513 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.167 1.631 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.840 3.285 7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.485 3.907 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.816 2.253 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.112 2.411 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.786 4.043 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.390 4.750 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.750 3.121 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.654 4.559 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.978 3.343 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.630 4.922 5.136 1.00 0.00 H new ATOM 1404 N THR A 89 -13.312 4.411 8.025 1.00 0.00 N ATOM 1405 CA THR A 89 -12.616 5.692 7.997 1.00 0.00 C ATOM 1406 C THR A 89 -11.179 5.549 7.489 1.00 0.00 C ATOM 1407 O THR A 89 -10.774 6.251 6.565 1.00 0.00 O ATOM 1408 CB THR A 89 -12.662 6.282 9.415 1.00 0.00 C ATOM 1409 OG1 THR A 89 -13.901 5.937 10.014 1.00 0.00 O ATOM 1410 CG2 THR A 89 -12.491 7.803 9.413 1.00 0.00 C ATOM 0 H THR A 89 -13.873 4.290 8.868 1.00 0.00 H new ATOM 0 HA THR A 89 -13.111 6.366 7.298 1.00 0.00 H new ATOM 0 HB THR A 89 -11.831 5.866 9.985 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.940 6.307 10.921 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.530 8.175 10.437 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.529 8.060 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.292 8.258 8.831 1.00 0.00 H new ATOM 1418 N GLU A 90 -10.431 4.593 8.049 1.00 0.00 N ATOM 1419 CA GLU A 90 -9.055 4.368 7.654 1.00 0.00 C ATOM 1420 C GLU A 90 -8.897 3.991 6.183 1.00 0.00 C ATOM 1421 O GLU A 90 -7.942 4.423 5.546 1.00 0.00 O ATOM 1422 CB GLU A 90 -8.368 3.368 8.582 1.00 0.00 C ATOM 1423 CG GLU A 90 -7.695 4.162 9.701 1.00 0.00 C ATOM 1424 CD GLU A 90 -6.882 3.301 10.650 1.00 0.00 C ATOM 1425 OE1 GLU A 90 -5.973 2.588 10.181 1.00 0.00 O ATOM 1426 OE2 GLU A 90 -7.080 3.384 11.881 1.00 0.00 O ATOM 0 H GLU A 90 -10.766 3.965 8.780 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.546 5.326 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.094 2.667 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.632 2.780 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.044 4.916 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.459 4.693 10.269 1.00 0.00 H new ATOM 1433 N ARG A 91 -9.839 3.231 5.620 1.00 0.00 N ATOM 1434 CA ARG A 91 -9.801 2.886 4.205 1.00 0.00 C ATOM 1435 C ARG A 91 -10.031 4.129 3.328 1.00 0.00 C ATOM 1436 O ARG A 91 -9.851 4.070 2.118 1.00 0.00 O ATOM 1437 CB ARG A 91 -10.831 1.785 3.913 1.00 0.00 C ATOM 1438 CG ARG A 91 -10.531 1.080 2.579 1.00 0.00 C ATOM 1439 CD ARG A 91 -11.623 0.089 2.183 1.00 0.00 C ATOM 1440 NE ARG A 91 -12.928 0.750 2.020 1.00 0.00 N ATOM 1441 CZ ARG A 91 -14.059 0.064 1.806 1.00 0.00 C ATOM 1442 NH1 ARG A 91 -13.972 -1.191 1.374 1.00 0.00 N ATOM 1443 NH2 ARG A 91 -15.250 0.622 2.039 1.00 0.00 N ATOM 0 H ARG A 91 -10.636 2.845 6.126 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.811 2.503 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.825 1.055 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.831 2.218 3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.421 1.828 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.579 0.555 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.346 -0.404 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.702 -0.688 2.943 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.973 1.768 2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.057 -1.612 1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.820 -1.732 1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.306 1.580 2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.104 0.090 1.872 1.00 0.00 H new ATOM 1457 N GLU A 92 -10.435 5.254 3.921 1.00 0.00 N ATOM 1458 CA GLU A 92 -10.694 6.499 3.232 1.00 0.00 C ATOM 1459 C GLU A 92 -9.593 7.525 3.538 1.00 0.00 C ATOM 1460 O GLU A 92 -9.333 8.421 2.738 1.00 0.00 O ATOM 1461 CB GLU A 92 -12.074 6.991 3.690 1.00 0.00 C ATOM 1462 CG GLU A 92 -12.790 7.646 2.509 1.00 0.00 C ATOM 1463 CD GLU A 92 -13.406 6.625 1.556 1.00 0.00 C ATOM 1464 OE1 GLU A 92 -13.981 5.632 2.057 1.00 0.00 O ATOM 1465 OE2 GLU A 92 -13.303 6.881 0.340 1.00 0.00 O ATOM 0 H GLU A 92 -10.593 5.315 4.927 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.691 6.357 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.663 6.157 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.967 7.704 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.572 8.306 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.083 8.269 1.961 1.00 0.00 H new ATOM 1472 N ASP A 93 -9.028 7.466 4.742 1.00 0.00 N ATOM 1473 CA ASP A 93 -7.922 8.285 5.226 1.00 0.00 C ATOM 1474 C ASP A 93 -6.641 7.857 4.512 1.00 0.00 C ATOM 1475 O ASP A 93 -6.002 8.643 3.820 1.00 0.00 O ATOM 1476 CB ASP A 93 -7.725 8.093 6.743 1.00 0.00 C ATOM 1477 CG ASP A 93 -8.770 8.705 7.669 1.00 0.00 C ATOM 1478 OD1 ASP A 93 -9.304 9.776 7.314 1.00 0.00 O ATOM 1479 OD2 ASP A 93 -8.982 8.111 8.750 1.00 0.00 O ATOM 0 H ASP A 93 -9.351 6.804 5.448 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.148 9.332 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.682 7.023 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.753 8.507 7.012 1.00 0.00 H new ATOM 1484 N LEU A 94 -6.251 6.591 4.675 1.00 0.00 N ATOM 1485 CA LEU A 94 -5.037 6.025 4.093 1.00 0.00 C ATOM 1486 C LEU A 94 -4.989 6.267 2.590 1.00 0.00 C ATOM 1487 O LEU A 94 -3.985 6.717 2.040 1.00 0.00 O ATOM 1488 CB LEU A 94 -5.018 4.511 4.325 1.00 0.00 C ATOM 1489 CG LEU A 94 -4.677 4.048 5.753 1.00 0.00 C ATOM 1490 CD1 LEU A 94 -3.325 3.345 5.707 1.00 0.00 C ATOM 1491 CD2 LEU A 94 -4.616 5.126 6.838 1.00 0.00 C ATOM 0 H LEU A 94 -6.783 5.918 5.227 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.181 6.505 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.997 4.111 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.296 4.068 3.639 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.508 3.407 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.057 3.005 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.383 2.488 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.566 4.039 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.367 4.666 7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.853 5.860 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.584 5.620 6.915 1.00 0.00 H new ATOM 1503 N ILE A 95 -6.103 5.971 1.925 1.00 0.00 N ATOM 1504 CA ILE A 95 -6.198 6.024 0.478 1.00 0.00 C ATOM 1505 C ILE A 95 -6.386 7.484 0.041 1.00 0.00 C ATOM 1506 O ILE A 95 -6.475 7.756 -1.153 1.00 0.00 O ATOM 1507 CB ILE A 95 -7.301 5.057 -0.009 1.00 0.00 C ATOM 1508 CG1 ILE A 95 -7.297 3.717 0.759 1.00 0.00 C ATOM 1509 CG2 ILE A 95 -7.197 4.764 -1.515 1.00 0.00 C ATOM 1510 CD1 ILE A 95 -6.009 2.901 0.657 1.00 0.00 C ATOM 0 H ILE A 95 -6.969 5.686 2.383 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.279 5.680 0.004 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.239 5.575 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.494 3.921 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.123 3.107 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.993 4.080 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.293 5.695 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.230 4.309 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.115 1.981 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.815 2.656 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.177 3.483 1.053 1.00 0.00 H new ATOM 1522 N ALA A 96 -6.388 8.436 0.989 1.00 0.00 N ATOM 1523 CA ALA A 96 -6.278 9.846 0.675 1.00 0.00 C ATOM 1524 C ALA A 96 -4.798 10.202 0.771 1.00 0.00 C ATOM 1525 O ALA A 96 -4.242 10.747 -0.180 1.00 0.00 O ATOM 1526 CB ALA A 96 -7.164 10.669 1.613 1.00 0.00 C ATOM 0 H ALA A 96 -6.466 8.238 1.986 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.633 10.074 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.072 11.727 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.203 10.359 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.850 10.509 2.644 1.00 0.00 H new ATOM 1532 N TYR A 97 -4.140 9.836 1.882 1.00 0.00 N ATOM 1533 CA TYR A 97 -2.706 10.050 2.029 1.00 0.00 C ATOM 1534 C TYR A 97 -1.956 9.531 0.818 1.00 0.00 C ATOM 1535 O TYR A 97 -1.235 10.287 0.181 1.00 0.00 O ATOM 1536 CB TYR A 97 -2.105 9.391 3.276 1.00 0.00 C ATOM 1537 CG TYR A 97 -0.568 9.430 3.307 1.00 0.00 C ATOM 1538 CD1 TYR A 97 0.121 10.544 2.784 1.00 0.00 C ATOM 1539 CD2 TYR A 97 0.190 8.335 3.769 1.00 0.00 C ATOM 1540 CE1 TYR A 97 1.523 10.586 2.757 1.00 0.00 C ATOM 1541 CE2 TYR A 97 1.600 8.368 3.706 1.00 0.00 C ATOM 1542 CZ TYR A 97 2.271 9.492 3.205 1.00 0.00 C ATOM 1543 OH TYR A 97 3.632 9.510 3.079 1.00 0.00 O ATOM 0 H TYR A 97 -4.584 9.392 2.686 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.592 11.129 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.492 9.891 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.436 8.354 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.442 11.381 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.310 7.467 4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.027 11.467 2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.169 7.516 4.048 1.00 0.00 H new ATOM 0 HH TYR A 97 3.985 8.606 3.215 1.00 0.00 H new ATOM 1553 N LEU A 98 -2.076 8.243 0.510 1.00 0.00 N ATOM 1554 CA LEU A 98 -1.229 7.656 -0.519 1.00 0.00 C ATOM 1555 C LEU A 98 -1.452 8.311 -1.880 1.00 0.00 C ATOM 1556 O LEU A 98 -0.549 8.329 -2.718 1.00 0.00 O ATOM 1557 CB LEU A 98 -1.374 6.135 -0.540 1.00 0.00 C ATOM 1558 CG LEU A 98 -1.009 5.525 0.822 1.00 0.00 C ATOM 1559 CD1 LEU A 98 -1.248 4.016 0.765 1.00 0.00 C ATOM 1560 CD2 LEU A 98 0.437 5.825 1.244 1.00 0.00 C ATOM 0 H LEU A 98 -2.736 7.600 0.947 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.189 7.863 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.399 5.868 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.731 5.716 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.646 5.984 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.992 3.571 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.297 3.822 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.625 3.578 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.635 5.368 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.124 5.417 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.579 6.903 1.315 1.00 0.00 H new ATOM 1572 N LYS A 99 -2.625 8.924 -2.058 1.00 0.00 N ATOM 1573 CA LYS A 99 -2.997 9.616 -3.280 1.00 0.00 C ATOM 1574 C LYS A 99 -2.179 10.900 -3.481 1.00 0.00 C ATOM 1575 O LYS A 99 -2.164 11.442 -4.584 1.00 0.00 O ATOM 1576 CB LYS A 99 -4.513 9.856 -3.259 1.00 0.00 C ATOM 1577 CG LYS A 99 -5.158 9.609 -4.626 1.00 0.00 C ATOM 1578 CD LYS A 99 -6.688 9.534 -4.483 1.00 0.00 C ATOM 1579 CE LYS A 99 -7.386 10.456 -5.490 1.00 0.00 C ATOM 1580 NZ LYS A 99 -8.854 10.315 -5.434 1.00 0.00 N ATOM 0 H LYS A 99 -3.350 8.950 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.759 8.998 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.972 9.201 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.712 10.881 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.888 10.410 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.779 8.681 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.020 8.507 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.975 9.815 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.112 11.491 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.037 10.226 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.258 10.510 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.099 9.346 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.241 10.990 -4.744 1.00 0.00 H new ATOM 1594 N LYS A 100 -1.467 11.352 -2.441 1.00 0.00 N ATOM 1595 CA LYS A 100 -0.424 12.370 -2.512 1.00 0.00 C ATOM 1596 C LYS A 100 0.944 11.880 -2.018 1.00 0.00 C ATOM 1597 O LYS A 100 1.930 12.544 -2.301 1.00 0.00 O ATOM 1598 CB LYS A 100 -0.835 13.657 -1.790 1.00 0.00 C ATOM 1599 CG LYS A 100 -1.051 13.488 -0.279 1.00 0.00 C ATOM 1600 CD LYS A 100 -0.636 14.775 0.450 1.00 0.00 C ATOM 1601 CE LYS A 100 0.871 14.725 0.743 1.00 0.00 C ATOM 1602 NZ LYS A 100 1.459 16.061 0.964 1.00 0.00 N ATOM 0 H LYS A 100 -1.611 11.002 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.308 12.593 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.068 14.413 -1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.755 14.034 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.098 13.264 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.467 12.645 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.871 15.646 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.196 14.878 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.044 14.107 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.382 14.242 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.342 15.967 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.662 16.507 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.788 16.652 1.495 1.00 0.00 H new ATOM 1616 N ALA A 101 1.059 10.741 -1.322 1.00 0.00 N ATOM 1617 CA ALA A 101 2.365 10.144 -1.031 1.00 0.00 C ATOM 1618 C ALA A 101 3.047 9.796 -2.349 1.00 0.00 C ATOM 1619 O ALA A 101 4.252 9.941 -2.518 1.00 0.00 O ATOM 1620 CB ALA A 101 2.227 8.878 -0.186 1.00 0.00 C ATOM 0 H ALA A 101 0.265 10.218 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 101 2.957 10.863 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.215 8.462 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.742 9.122 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.625 8.145 -0.724 1.00 0.00 H new ATOM 1626 N THR A 102 2.224 9.369 -3.309 1.00 0.00 N ATOM 1627 CA THR A 102 2.614 9.141 -4.687 1.00 0.00 C ATOM 1628 C THR A 102 3.133 10.406 -5.387 1.00 0.00 C ATOM 1629 O THR A 102 3.573 10.304 -6.531 1.00 0.00 O ATOM 1630 CB THR A 102 1.396 8.557 -5.420 1.00 0.00 C ATOM 1631 OG1 THR A 102 1.732 8.016 -6.678 1.00 0.00 O ATOM 1632 CG2 THR A 102 0.302 9.612 -5.617 1.00 0.00 C ATOM 0 H THR A 102 1.239 9.168 -3.135 1.00 0.00 H new ATOM 0 HA THR A 102 3.453 8.445 -4.707 1.00 0.00 H new ATOM 0 HB THR A 102 1.025 7.755 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.408 8.581 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.545 9.165 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.025 9.983 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.696 10.439 -6.207 1.00 0.00 H new ATOM 1640 N ASN A 103 3.016 11.583 -4.759 1.00 0.00 N ATOM 1641 CA ASN A 103 3.409 12.868 -5.317 1.00 0.00 C ATOM 1642 C ASN A 103 3.680 13.878 -4.191 1.00 0.00 C ATOM 1643 O ASN A 103 3.056 14.940 -4.147 1.00 0.00 O ATOM 1644 CB ASN A 103 2.309 13.357 -6.272 1.00 0.00 C ATOM 1645 CG ASN A 103 2.709 14.636 -7.004 1.00 0.00 C ATOM 1646 OD1 ASN A 103 3.769 14.700 -7.618 1.00 0.00 O ATOM 1647 ND2 ASN A 103 1.859 15.658 -6.979 1.00 0.00 N ATOM 0 H ASN A 103 2.631 11.661 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 103 4.335 12.762 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.089 12.577 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.393 13.534 -5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.082 16.519 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.984 15.581 -6.461 1.00 0.00 H new ATOM 1654 N GLU A 104 4.617 13.559 -3.294 1.00 0.00 N ATOM 1655 CA GLU A 104 5.323 14.528 -2.474 1.00 0.00 C ATOM 1656 C GLU A 104 6.760 14.025 -2.337 1.00 0.00 C ATOM 1657 O GLU A 104 7.600 14.801 -1.832 1.00 0.00 O ATOM 1658 CB GLU A 104 4.630 14.813 -1.127 1.00 0.00 C ATOM 1659 CG GLU A 104 4.541 13.677 -0.085 1.00 0.00 C ATOM 1660 CD GLU A 104 3.965 14.182 1.234 1.00 0.00 C ATOM 1661 OE1 GLU A 104 3.955 15.417 1.442 1.00 0.00 O ATOM 1662 OE2 GLU A 104 3.388 13.365 1.978 1.00 0.00 O ATOM 1663 OXT GLU A 104 6.990 12.878 -2.788 1.00 0.00 O ATOM 0 H GLU A 104 4.907 12.597 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 104 5.318 15.506 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.148 15.651 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.614 15.145 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.917 12.872 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.533 13.257 0.085 1.00 0.00 H new TER 1670 GLU A 104 HETATM 1671 FE HEC A 105 1.858 -3.275 2.887 1.00 0.00 FE HETATM 1672 CHA HEC A 105 2.674 -4.473 -0.340 1.00 0.00 C HETATM 1673 CHB HEC A 105 0.073 -0.716 1.547 1.00 0.00 C HETATM 1674 CHC HEC A 105 1.070 -2.363 6.088 1.00 0.00 C HETATM 1675 CHD HEC A 105 3.890 -5.832 4.197 1.00 0.00 C HETATM 1676 NA HEC A 105 1.404 -2.725 0.936 1.00 0.00 N HETATM 1677 C1A HEC A 105 1.865 -3.333 -0.213 1.00 0.00 C HETATM 1678 C2A HEC A 105 1.406 -2.533 -1.327 1.00 0.00 C HETATM 1679 C3A HEC A 105 0.628 -1.512 -0.813 1.00 0.00 C HETATM 1680 C4A HEC A 105 0.675 -1.609 0.635 1.00 0.00 C HETATM 1681 CMA HEC A 105 -0.163 -0.519 -1.642 1.00 0.00 C HETATM 1682 CAA HEC A 105 1.713 -2.768 -2.797 1.00 0.00 C HETATM 1683 CBA HEC A 105 3.201 -2.881 -3.165 1.00 0.00 C HETATM 1684 CGA HEC A 105 3.513 -2.344 -4.557 1.00 0.00 C HETATM 1685 O1A HEC A 105 3.415 -3.144 -5.515 1.00 0.00 O HETATM 1686 O2A HEC A 105 3.826 -1.139 -4.647 1.00 0.00 O HETATM 1687 NB HEC A 105 0.762 -1.819 3.679 1.00 0.00 N HETATM 1688 C1B HEC A 105 0.126 -0.863 2.951 1.00 0.00 C HETATM 1689 C2B HEC A 105 -0.472 0.047 3.902 1.00 0.00 C HETATM 1690 C3B HEC A 105 -0.266 -0.461 5.172 1.00 0.00 C HETATM 1691 C4B HEC A 105 0.569 -1.622 5.019 1.00 0.00 C HETATM 1692 CMB HEC A 105 -1.079 1.375 3.547 1.00 0.00 C HETATM 1693 CAB HEC A 105 -0.868 0.004 6.491 1.00 0.00 C HETATM 1694 CBB HEC A 105 -2.395 -0.063 6.487 1.00 0.00 C HETATM 1695 NC HEC A 105 2.372 -3.978 4.790 1.00 0.00 N HETATM 1696 C1C HEC A 105 1.935 -3.420 5.936 1.00 0.00 C HETATM 1697 C2C HEC A 105 2.556 -4.102 7.040 1.00 0.00 C HETATM 1698 C3C HEC A 105 3.459 -4.990 6.504 1.00 0.00 C HETATM 1699 C4C HEC A 105 3.241 -4.986 5.076 1.00 0.00 C HETATM 1700 CMC HEC A 105 2.331 -3.784 8.496 1.00 0.00 C HETATM 1701 CAC HEC A 105 4.659 -5.600 7.203 1.00 0.00 C HETATM 1702 CBC HEC A 105 4.337 -6.800 8.094 1.00 0.00 C HETATM 1703 ND HEC A 105 3.058 -4.887 2.071 1.00 0.00 N HETATM 1704 C1D HEC A 105 3.771 -5.771 2.818 1.00 0.00 C HETATM 1705 C2D HEC A 105 4.435 -6.685 1.923 1.00 0.00 C HETATM 1706 C3D HEC A 105 4.106 -6.314 0.641 1.00 0.00 C HETATM 1707 C4D HEC A 105 3.221 -5.166 0.743 1.00 0.00 C HETATM 1708 CMD HEC A 105 5.364 -7.806 2.326 1.00 0.00 C HETATM 1709 CAD HEC A 105 4.622 -6.977 -0.621 1.00 0.00 C HETATM 1710 CBD HEC A 105 3.517 -7.523 -1.531 1.00 0.00 C HETATM 1711 CGD HEC A 105 3.354 -9.044 -1.541 1.00 0.00 C HETATM 1712 O1D HEC A 105 4.353 -9.799 -1.486 1.00 0.00 O HETATM 1713 O2D HEC A 105 2.179 -9.441 -1.660 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.218 -7.395 2.864 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.832 -8.506 2.970 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.713 -8.327 1.435 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.626 -2.753 8.693 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.276 -3.912 8.737 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.928 -4.457 9.112 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.322 2.010 3.087 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.900 1.224 2.846 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.456 1.856 4.450 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.516 0.037 -2.289 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.891 -1.053 -2.253 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.683 0.174 -0.981 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.570 -7.077 -1.228 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.715 -7.191 -2.550 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.639 -6.497 8.874 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.888 -7.590 7.492 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.254 -7.170 8.552 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.785 0.575 5.694 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.714 -1.091 6.315 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.777 0.279 7.449 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.794 -2.336 -2.430 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.505 -3.926 -3.108 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.217 -6.256 -1.181 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.288 -7.794 -0.344 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.211 -3.683 -3.111 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.278 -1.952 -3.374 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.540 -6.600 4.617 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.760 -2.090 7.097 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.467 0.141 1.143 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.888 -4.840 -1.344 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.214 -0.967 -5.530 1.00 0.00 H new CONECT 224 1693 CONECT 261 1701 CONECT 275 1671 CONECT 1252 1671 CONECT 1671 275 1252 1676 1687 CONECT 1671 1695 1703 CONECT 1672 1677 1707 1714 CONECT 1673 1680 1688 1715 CONECT 1674 1691 1696 1716 CONECT 1675 1699 1704 1717 CONECT 1676 1671 1677 1680 CONECT 1677 1672 1676 1678 CONECT 1678 1677 1679 1682 CONECT 1679 1678 1680 1681 CONECT 1680 1673 1676 1679 CONECT 1681 1679 1718 1719 1720 CONECT 1682 1678 1683 1721 1722 CONECT 1683 1682 1684 1723 1724 CONECT 1684 1683 1685 1686 CONECT 1685 1684 CONECT 1686 1684 CONECT 1687 1671 1688 1691 CONECT 1688 1673 1687 1689 CONECT 1689 1688 1690 1692 CONECT 1690 1689 1691 1693 CONECT 1691 1674 1687 1690 CONECT 1692 1689 1725 1726 1727 CONECT 1693 224 1690 1694 1728 CONECT 1694 1693 1729 1730 1731 CONECT 1695 1671 1696 1699 CONECT 1696 1674 1695 1697 CONECT 1697 1696 1698 1700 CONECT 1698 1697 1699 1701 CONECT 1699 1675 1695 1698 CONECT 1700 1697 1732 1733 1734 CONECT 1701 261 1698 1702 1735 CONECT 1702 1701 1736 1737 1738 CONECT 1703 1671 1704 1707 CONECT 1704 1675 1703 1705 CONECT 1705 1704 1706 1708 CONECT 1706 1705 1707 1709 CONECT 1707 1672 1703 1706 CONECT 1708 1705 1739 1740 1741 CONECT 1709 1706 1710 1742 1743 CONECT 1710 1709 1711 1744 1745 CONECT 1711 1710 1712 1713 CONECT 1712 1711 CONECT 1713 1711 CONECT 1714 1672 CONECT 1715 1673 CONECT 1716 1674 CONECT 1717 1675 CONECT 1718 1681 CONECT 1719 1681 CONECT 1720 1681 CONECT 1721 1682 CONECT 1722 1682 CONECT 1723 1683 CONECT 1724 1683 CONECT 1725 1692 CONECT 1726 1692 CONECT 1727 1692 CONECT 1728 1693 CONECT 1729 1694 CONECT 1730 1694 CONECT 1731 1694 CONECT 1732 1700 CONECT 1733 1700 CONECT 1734 1700 CONECT 1735 1701 CONECT 1736 1702 CONECT 1737 1702 CONECT 1738 1702 CONECT 1739 1708 CONECT 1740 1708 CONECT 1741 1708 CONECT 1742 1709 CONECT 1743 1709 CONECT 1744 1710 CONECT 1745 1710 END