USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) HEADER HYDROLASE, MEMBRANE PROTEIN 03-JAN-07 2OFH TITLE SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE ZINC(II) ATPASE TITLE 2 ZIAA IN ITS APO FORM COMPND MOL_ID: 1; COMPND 2 MOLECULE: ZINC-TRANSPORTING ATPASE; COMPND 3 CHAIN: X; COMPND 4 FRAGMENT: RESIDUES 1-76; COMPND 5 SYNONYM: ZN(2+)-TRANSLOCATING P-TYPE ATPASE; COMPND 6 EC: 3.6.3.5; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; SOURCE 3 ORGANISM_TAXID: 1148; SOURCE 4 STRAIN: PCC 6803; SOURCE 5 GENE: ZIAA; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET29A KEYWDS FERREDOXIN-LIKE FOLD; BETA-ALPHA-BETA-BETA-ALPHA-BETA; STRUCTURAL KEYWDS 2 GENOMICS; SPINE, HYDROLASE, MEMBRANE PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,L.POGGI,N.J.ROBINSON,M.VANAROTTI REVDAT 4 13-JUL-11 2OFH 1 VERSN REVDAT 3 29-DEC-09 2OFH 1 JRNL REVDAT 2 24-FEB-09 2OFH 1 VERSN REVDAT 1 18-DEC-07 2OFH 0 JRNL AUTH L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,L.POGGI,M.VANAROTTI, JRNL AUTH 2 S.TOTTEY,K.J.WALDRON,N.J.ROBINSON JRNL TITL NMR STRUCTURAL ANALYSIS OF THE SOLUBLE DOMAIN OF ZIAA-ATPASE JRNL TITL 2 AND THE BASIS OF SELECTIVE INTERACTIONS WITH COPPER JRNL TITL 3 METALLOCHAPERONE ATX1. JRNL REF J.BIOL.INORG.CHEM. V. 15 87 2010 JRNL REFN ISSN 0949-8257 JRNL PMID 19609573 JRNL DOI 10.1007/S00775-009-0568-7 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 8 REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,FERGUSON REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2OFH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JAN-07. REMARK 100 THE RCSB ID CODE IS RCSB041069. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50MM PHOSPHATE BUFFER REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.0 MM UNLABELED; 1.0 MM 15N- REMARK 210 LABELED; 1.0MM 15N,13C LABELED REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 3D_15N- REMARK 210 SEPARATED_NOESY; 3D_13C- REMARK 210 SEPARATED_NOESY; HNHA; HNCA-J REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 700 MHZ; 800 REMARK 210 MHZ; 900 MHZ REMARK 210 SPECTROMETER MODEL : DMX; AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA 2.1 REMARK 210 METHOD USED : SIMULATED ANNEALING IN TAD REMARK 210 FOLLOWED BY RESTRAINED ENERGY REMARK 210 MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: X REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET X 1 REMARK 465 THR X 2 REMARK 465 GLN X 3 REMARK 465 SER X 4 REMARK 465 SER X 5 REMARK 465 LYS X 77 REMARK 465 SER X 78 REMARK 465 SER X 79 REMARK 465 VAL X 80 REMARK 465 THR X 81 REMARK 465 LEU X 82 REMARK 465 ASN X 83 REMARK 465 GLY X 84 REMARK 465 HIS X 85 REMARK 465 LYS X 86 REMARK 465 HIS X 87 REMARK 465 PRO X 88 REMARK 465 HIS X 89 REMARK 465 SER X 90 REMARK 465 HIS X 91 REMARK 465 ARG X 92 REMARK 465 GLU X 93 REMARK 465 GLU X 94 REMARK 465 GLY X 95 REMARK 465 HIS X 96 REMARK 465 SER X 97 REMARK 465 HIS X 98 REMARK 465 SER X 99 REMARK 465 HIS X 100 REMARK 465 GLY X 101 REMARK 465 ALA X 102 REMARK 465 GLY X 103 REMARK 465 GLU X 104 REMARK 465 PHE X 105 REMARK 465 ASN X 106 REMARK 465 LEU X 107 REMARK 465 LYS X 108 REMARK 465 GLN X 109 REMARK 465 GLU X 110 REMARK 465 LEU X 111 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HG SER X 58 OE2 GLU X 59 1.58 REMARK 500 OE1 GLU X 38 HG1 THR X 51 1.60 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 MET X 17 95.48 -66.26 REMARK 500 ASP X 18 174.61 -57.52 REMARK 500 CYS X 19 -62.60 -97.43 REMARK 500 SER X 21 65.02 -156.30 REMARK 500 CYS X 22 -44.81 -165.29 REMARK 500 ILE X 26 -71.76 -76.39 REMARK 500 SER X 40 142.95 -175.15 REMARK 500 ALA X 44 7.24 -64.60 REMARK 500 PRO X 54 33.65 -79.07 REMARK 500 GLN X 56 -79.53 -149.94 REMARK 500 SER X 58 -108.19 -143.04 REMARK 500 ALA X 68 0.24 -66.45 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 MET X 17 ASP X 18 149.49 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2OFG RELATED DB: PDB DBREF 2OFH X 1 111 UNP Q59998 ATZN_SYNY3 1 111 SEQRES 1 X 111 MET THR GLN SER SER PRO LEU LYS THR GLN GLN MET GLN SEQRES 2 X 111 VAL GLY GLY MET ASP CYS THR SER CYS LYS LEU LYS ILE SEQRES 3 X 111 GLU GLY SER LEU GLU ARG LEU LYS GLY VAL ALA GLU ALA SEQRES 4 X 111 SER VAL THR VAL ALA THR GLY ARG LEU THR VAL THR TYR SEQRES 5 X 111 ASP PRO LYS GLN VAL SER GLU ILE THR ILE GLN GLU ARG SEQRES 6 X 111 ILE ALA ALA LEU GLY TYR THR LEU ALA GLU PRO LYS SER SEQRES 7 X 111 SER VAL THR LEU ASN GLY HIS LYS HIS PRO HIS SER HIS SEQRES 8 X 111 ARG GLU GLU GLY HIS SER HIS SER HIS GLY ALA GLY GLU SEQRES 9 X 111 PHE ASN LEU LYS GLN GLU LEU HELIX 1 1 CYS X 22 GLU X 31 1 10 HELIX 2 2 VAL X 43 THR X 45 5 3 HELIX 3 3 SER X 58 ALA X 68 1 11 SHEET 1 A 4 VAL X 36 THR X 42 0 SHEET 2 A 4 ARG X 47 TYR X 52 -1 O ARG X 47 N THR X 42 SHEET 3 A 4 LYS X 8 VAL X 14 -1 N GLN X 10 O VAL X 50 SHEET 4 A 4 LEU X 73 ALA X 74 -1 O ALA X 74 N GLN X 13 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 17 MET CE :methyl -144:sc= -0.377 (180deg=-3.01!) USER MOD Set 1.2: X 22 CYS SG : rot -159:sc= -0.58 USER MOD Set 1.3: X 25 LYS NZ :NH3+ 153:sc= 0.16 (180deg=0.0636) USER MOD Set 1.4: X 71 TYR OH : rot -117:sc= 0.374 USER MOD Set 2.1: X 9 THR OG1 : rot 84:sc= 0.44 USER MOD Set 2.2: X 51 THR OG1 : rot 169:sc= 1.67 USER MOD Single : X 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 10 GLN : amide:sc= 1.08 K(o=1.1,f=-3.7!) USER MOD Single : X 11 GLN : amide:sc= 0.631 K(o=0.63,f=-4.1!) USER MOD Single : X 12 MET CE :methyl -117:sc= -1.4 (180deg=-6.28!) USER MOD Single : X 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 19 CYS SG : rot 180:sc= -0.117 USER MOD Single : X 20 THR OG1 : rot 93:sc= 1.34 USER MOD Single : X 21 SER OG : rot 25:sc= 1.09 USER MOD Single : X 23 LYS NZ :NH3+ 180:sc= -0.192 (180deg=-0.192) USER MOD Single : X 29 SER OG : rot -130:sc= 0 USER MOD Single : X 34 LYS NZ :NH3+ -156:sc= 0.951 (180deg=0.614) USER MOD Single : X 40 SER OG : rot 49:sc= 1.27 USER MOD Single : X 42 THR OG1 : rot 180:sc= 0 USER MOD Single : X 45 THR OG1 : rot 180:sc= -0.0607 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 52 TYR OH : rot -172:sc= 1.25 USER MOD Single : X 55 LYS NZ :NH3+ -178:sc= 1.07 (180deg=1.05) USER MOD Single : X 56 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : X 58 SER OG : rot -101:sc= 1.16 USER MOD Single : X 61 THR OG1 : rot 80:sc= 1.27 USER MOD Single : X 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 72 THR OG1 : rot 180:sc= -0.0744 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 6 13.645 -8.009 9.745 1.00 0.00 N ATOM 2 CA PRO X 6 13.152 -9.276 9.209 1.00 0.00 C ATOM 3 C PRO X 6 12.097 -9.066 8.118 1.00 0.00 C ATOM 4 O PRO X 6 12.068 -9.830 7.154 1.00 0.00 O ATOM 5 CB PRO X 6 12.599 -10.049 10.411 1.00 0.00 C ATOM 6 CG PRO X 6 12.230 -8.959 11.416 1.00 0.00 C ATOM 7 CD PRO X 6 13.257 -7.863 11.142 1.00 0.00 C ATOM 0 HA PRO X 6 13.949 -9.835 8.718 1.00 0.00 H new ATOM 0 HB2 PRO X 6 11.731 -10.647 10.135 1.00 0.00 H new ATOM 0 HB3 PRO X 6 13.341 -10.734 10.820 1.00 0.00 H new ATOM 0 HG2 PRO X 6 11.211 -8.602 11.265 1.00 0.00 H new ATOM 0 HG3 PRO X 6 12.293 -9.321 12.442 1.00 0.00 H new ATOM 0 HD2 PRO X 6 12.832 -6.876 11.327 1.00 0.00 H new ATOM 0 HD3 PRO X 6 14.121 -7.966 11.799 1.00 0.00 H new ATOM 15 N LEU X 7 11.280 -8.010 8.234 1.00 0.00 N ATOM 16 CA LEU X 7 10.458 -7.475 7.156 1.00 0.00 C ATOM 17 C LEU X 7 11.182 -6.307 6.472 1.00 0.00 C ATOM 18 O LEU X 7 11.827 -5.481 7.117 1.00 0.00 O ATOM 19 CB LEU X 7 9.024 -7.132 7.613 1.00 0.00 C ATOM 20 CG LEU X 7 8.874 -6.597 9.041 1.00 0.00 C ATOM 21 CD1 LEU X 7 7.706 -5.608 9.136 1.00 0.00 C ATOM 22 CD2 LEU X 7 8.611 -7.740 10.040 1.00 0.00 C ATOM 0 H LEU X 7 11.175 -7.495 9.108 1.00 0.00 H new ATOM 0 HA LEU X 7 10.323 -8.256 6.408 1.00 0.00 H new ATOM 0 HB2 LEU X 7 8.614 -6.392 6.926 1.00 0.00 H new ATOM 0 HB3 LEU X 7 8.411 -8.029 7.518 1.00 0.00 H new ATOM 0 HG LEU X 7 9.810 -6.097 9.289 1.00 0.00 H new ATOM 0 HD11 LEU X 7 7.621 -5.243 10.159 1.00 0.00 H new ATOM 0 HD12 LEU X 7 7.885 -4.768 8.465 1.00 0.00 H new ATOM 0 HD13 LEU X 7 6.781 -6.109 8.851 1.00 0.00 H new ATOM 0 HD21 LEU X 7 8.509 -7.329 11.044 1.00 0.00 H new ATOM 0 HD22 LEU X 7 7.693 -8.259 9.765 1.00 0.00 H new ATOM 0 HD23 LEU X 7 9.445 -8.442 10.018 1.00 0.00 H new ATOM 34 N LYS X 8 11.107 -6.253 5.141 1.00 0.00 N ATOM 35 CA LYS X 8 11.758 -5.251 4.300 1.00 0.00 C ATOM 36 C LYS X 8 10.860 -4.062 3.983 1.00 0.00 C ATOM 37 O LYS X 8 9.687 -4.235 3.664 1.00 0.00 O ATOM 38 CB LYS X 8 12.208 -5.911 2.992 1.00 0.00 C ATOM 39 CG LYS X 8 13.385 -6.825 3.301 1.00 0.00 C ATOM 40 CD LYS X 8 14.034 -7.356 2.014 1.00 0.00 C ATOM 41 CE LYS X 8 15.265 -8.210 2.346 1.00 0.00 C ATOM 42 NZ LYS X 8 15.866 -8.811 1.126 1.00 0.00 N ATOM 0 H LYS X 8 10.571 -6.932 4.601 1.00 0.00 H new ATOM 0 HA LYS X 8 12.610 -4.865 4.859 1.00 0.00 H new ATOM 0 HB2 LYS X 8 11.389 -6.481 2.552 1.00 0.00 H new ATOM 0 HB3 LYS X 8 12.496 -5.153 2.263 1.00 0.00 H new ATOM 0 HG2 LYS X 8 14.126 -6.281 3.887 1.00 0.00 H new ATOM 0 HG3 LYS X 8 13.047 -7.662 3.912 1.00 0.00 H new ATOM 0 HD2 LYS X 8 13.312 -7.950 1.454 1.00 0.00 H new ATOM 0 HD3 LYS X 8 14.324 -6.522 1.375 1.00 0.00 H new ATOM 0 HE2 LYS X 8 16.009 -7.594 2.852 1.00 0.00 H new ATOM 0 HE3 LYS X 8 14.982 -9.002 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS X 8 16.695 -9.380 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS X 8 15.165 -9.419 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS X 8 16.160 -8.055 0.475 1.00 0.00 H new ATOM 56 N THR X 9 11.450 -2.865 4.020 1.00 0.00 N ATOM 57 CA THR X 9 10.728 -1.606 3.765 1.00 0.00 C ATOM 58 C THR X 9 10.919 -1.164 2.323 1.00 0.00 C ATOM 59 O THR X 9 11.954 -1.429 1.716 1.00 0.00 O ATOM 60 CB THR X 9 11.061 -0.526 4.797 1.00 0.00 C ATOM 61 OG1 THR X 9 10.005 0.400 4.839 1.00 0.00 O ATOM 62 CG2 THR X 9 12.383 0.201 4.551 1.00 0.00 C ATOM 0 H THR X 9 12.440 -2.736 4.227 1.00 0.00 H new ATOM 0 HA THR X 9 9.661 -1.788 3.895 1.00 0.00 H new ATOM 0 HB THR X 9 11.185 -1.035 5.753 1.00 0.00 H new ATOM 0 HG1 THR X 9 9.298 0.063 5.428 1.00 0.00 H new ATOM 0 HG21 THR X 9 12.538 0.948 5.330 1.00 0.00 H new ATOM 0 HG22 THR X 9 13.202 -0.518 4.570 1.00 0.00 H new ATOM 0 HG23 THR X 9 12.353 0.692 3.578 1.00 0.00 H new ATOM 70 N GLN X 10 9.882 -0.534 1.791 1.00 0.00 N ATOM 71 CA GLN X 10 9.635 -0.330 0.368 1.00 0.00 C ATOM 72 C GLN X 10 8.658 0.841 0.194 1.00 0.00 C ATOM 73 O GLN X 10 7.709 0.969 0.970 1.00 0.00 O ATOM 74 CB GLN X 10 9.049 -1.642 -0.198 1.00 0.00 C ATOM 75 CG GLN X 10 8.543 -1.576 -1.647 1.00 0.00 C ATOM 76 CD GLN X 10 9.658 -1.357 -2.667 1.00 0.00 C ATOM 77 OE1 GLN X 10 10.378 -0.367 -2.612 1.00 0.00 O ATOM 78 NE2 GLN X 10 9.850 -2.265 -3.605 1.00 0.00 N ATOM 0 H GLN X 10 9.148 -0.128 2.372 1.00 0.00 H new ATOM 0 HA GLN X 10 10.552 -0.085 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN X 10 9.813 -2.417 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN X 10 8.224 -1.955 0.442 1.00 0.00 H new ATOM 0 HG2 GLN X 10 8.020 -2.502 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN X 10 7.816 -0.768 -1.734 1.00 0.00 H new ATOM 0 HE21 GLN X 10 9.249 -3.088 -3.649 1.00 0.00 H new ATOM 0 HE22 GLN X 10 10.599 -2.144 -4.286 1.00 0.00 H new ATOM 87 N GLN X 11 8.838 1.667 -0.846 1.00 0.00 N ATOM 88 CA GLN X 11 7.864 2.632 -1.306 1.00 0.00 C ATOM 89 C GLN X 11 7.595 2.534 -2.817 1.00 0.00 C ATOM 90 O GLN X 11 8.515 2.443 -3.627 1.00 0.00 O ATOM 91 CB GLN X 11 8.294 4.044 -0.900 1.00 0.00 C ATOM 92 CG GLN X 11 9.501 4.662 -1.642 1.00 0.00 C ATOM 93 CD GLN X 11 9.812 6.100 -1.206 1.00 0.00 C ATOM 94 OE1 GLN X 11 9.616 7.074 -1.930 1.00 0.00 O ATOM 95 NE2 GLN X 11 10.322 6.298 -0.007 1.00 0.00 N ATOM 0 H GLN X 11 9.696 1.672 -1.398 1.00 0.00 H new ATOM 0 HA GLN X 11 6.916 2.399 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN X 11 7.440 4.708 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN X 11 8.524 4.033 0.165 1.00 0.00 H new ATOM 0 HG2 GLN X 11 10.380 4.040 -1.472 1.00 0.00 H new ATOM 0 HG3 GLN X 11 9.304 4.650 -2.714 1.00 0.00 H new ATOM 0 HE21 GLN X 11 10.493 5.505 0.612 1.00 0.00 H new ATOM 0 HE22 GLN X 11 10.545 7.244 0.302 1.00 0.00 H new ATOM 104 N MET X 12 6.318 2.618 -3.196 1.00 0.00 N ATOM 105 CA MET X 12 5.844 2.666 -4.585 1.00 0.00 C ATOM 106 C MET X 12 5.398 4.068 -5.004 1.00 0.00 C ATOM 107 O MET X 12 5.189 4.942 -4.161 1.00 0.00 O ATOM 108 CB MET X 12 4.686 1.672 -4.759 1.00 0.00 C ATOM 109 CG MET X 12 3.402 2.105 -4.055 1.00 0.00 C ATOM 110 SD MET X 12 2.441 0.719 -3.417 1.00 0.00 S ATOM 111 CE MET X 12 3.560 0.246 -2.069 1.00 0.00 C ATOM 0 H MET X 12 5.555 2.656 -2.520 1.00 0.00 H new ATOM 0 HA MET X 12 6.679 2.393 -5.230 1.00 0.00 H new ATOM 0 HB2 MET X 12 4.483 1.545 -5.822 1.00 0.00 H new ATOM 0 HB3 MET X 12 4.992 0.699 -4.374 1.00 0.00 H new ATOM 0 HG2 MET X 12 3.654 2.774 -3.232 1.00 0.00 H new ATOM 0 HG3 MET X 12 2.787 2.675 -4.752 1.00 0.00 H new ATOM 0 HE1 MET X 12 3.937 -0.761 -2.245 1.00 0.00 H new ATOM 0 HE2 MET X 12 4.396 0.944 -2.028 1.00 0.00 H new ATOM 0 HE3 MET X 12 3.020 0.271 -1.122 1.00 0.00 H new ATOM 121 N GLN X 13 5.160 4.248 -6.303 1.00 0.00 N ATOM 122 CA GLN X 13 4.429 5.389 -6.854 1.00 0.00 C ATOM 123 C GLN X 13 2.968 4.997 -7.132 1.00 0.00 C ATOM 124 O GLN X 13 2.656 3.816 -7.272 1.00 0.00 O ATOM 125 CB GLN X 13 5.184 5.886 -8.093 1.00 0.00 C ATOM 126 CG GLN X 13 4.722 7.265 -8.577 1.00 0.00 C ATOM 127 CD GLN X 13 5.749 7.848 -9.538 1.00 0.00 C ATOM 128 OE1 GLN X 13 6.733 8.444 -9.126 1.00 0.00 O ATOM 129 NE2 GLN X 13 5.606 7.656 -10.835 1.00 0.00 N ATOM 0 H GLN X 13 5.476 3.591 -7.016 1.00 0.00 H new ATOM 0 HA GLN X 13 4.380 6.214 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN X 13 6.250 5.927 -7.867 1.00 0.00 H new ATOM 0 HB3 GLN X 13 5.057 5.165 -8.900 1.00 0.00 H new ATOM 0 HG2 GLN X 13 3.755 7.181 -9.072 1.00 0.00 H new ATOM 0 HG3 GLN X 13 4.588 7.933 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN X 13 4.789 7.160 -11.190 1.00 0.00 H new ATOM 0 HE22 GLN X 13 6.313 8.004 -11.483 1.00 0.00 H new ATOM 138 N VAL X 14 2.057 5.972 -7.132 1.00 0.00 N ATOM 139 CA VAL X 14 0.612 5.759 -6.960 1.00 0.00 C ATOM 140 C VAL X 14 -0.168 6.740 -7.834 1.00 0.00 C ATOM 141 O VAL X 14 0.216 7.902 -7.956 1.00 0.00 O ATOM 142 CB VAL X 14 0.216 5.950 -5.477 1.00 0.00 C ATOM 143 CG1 VAL X 14 -1.273 5.671 -5.243 1.00 0.00 C ATOM 144 CG2 VAL X 14 1.015 5.016 -4.554 1.00 0.00 C ATOM 0 H VAL X 14 2.305 6.954 -7.254 1.00 0.00 H new ATOM 0 HA VAL X 14 0.370 4.740 -7.262 1.00 0.00 H new ATOM 0 HB VAL X 14 0.439 6.991 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL X 14 -1.509 5.817 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL X 14 -1.870 6.354 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL X 14 -1.500 4.643 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL X 14 0.710 5.178 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL X 14 0.823 3.979 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL X 14 2.079 5.227 -4.656 1.00 0.00 H new ATOM 154 N GLY X 15 -1.264 6.267 -8.436 1.00 0.00 N ATOM 155 CA GLY X 15 -2.007 7.006 -9.464 1.00 0.00 C ATOM 156 C GLY X 15 -3.113 7.942 -8.970 1.00 0.00 C ATOM 157 O GLY X 15 -3.598 8.735 -9.772 1.00 0.00 O ATOM 0 H GLY X 15 -1.664 5.353 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY X 15 -1.295 7.595 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY X 15 -2.452 6.284 -10.148 1.00 0.00 H new ATOM 161 N GLY X 16 -3.535 7.867 -7.697 1.00 0.00 N ATOM 162 CA GLY X 16 -4.689 8.658 -7.230 1.00 0.00 C ATOM 163 C GLY X 16 -5.072 8.628 -5.743 1.00 0.00 C ATOM 164 O GLY X 16 -6.203 8.979 -5.404 1.00 0.00 O ATOM 0 H GLY X 16 -3.105 7.279 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY X 16 -4.503 9.698 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY X 16 -5.560 8.333 -7.799 1.00 0.00 H new ATOM 168 N MET X 17 -4.163 8.238 -4.845 1.00 0.00 N ATOM 169 CA MET X 17 -4.343 8.391 -3.390 1.00 0.00 C ATOM 170 C MET X 17 -4.364 9.874 -2.994 1.00 0.00 C ATOM 171 O MET X 17 -3.335 10.493 -2.738 1.00 0.00 O ATOM 172 CB MET X 17 -3.266 7.614 -2.618 1.00 0.00 C ATOM 173 CG MET X 17 -3.702 6.190 -2.244 1.00 0.00 C ATOM 174 SD MET X 17 -4.162 5.080 -3.604 1.00 0.00 S ATOM 175 CE MET X 17 -5.965 5.126 -3.491 1.00 0.00 C ATOM 0 H MET X 17 -3.276 7.805 -5.103 1.00 0.00 H new ATOM 0 HA MET X 17 -5.309 7.966 -3.120 1.00 0.00 H new ATOM 0 HB2 MET X 17 -2.360 7.563 -3.222 1.00 0.00 H new ATOM 0 HB3 MET X 17 -3.013 8.161 -1.709 1.00 0.00 H new ATOM 0 HG2 MET X 17 -2.890 5.723 -1.687 1.00 0.00 H new ATOM 0 HG3 MET X 17 -4.552 6.264 -1.566 1.00 0.00 H new ATOM 0 HE1 MET X 17 -6.370 4.143 -3.733 1.00 0.00 H new ATOM 0 HE2 MET X 17 -6.259 5.400 -2.478 1.00 0.00 H new ATOM 0 HE3 MET X 17 -6.355 5.863 -4.194 1.00 0.00 H new ATOM 185 N ASP X 18 -5.582 10.398 -2.892 1.00 0.00 N ATOM 186 CA ASP X 18 -5.981 11.480 -1.994 1.00 0.00 C ATOM 187 C ASP X 18 -5.692 11.128 -0.507 1.00 0.00 C ATOM 188 O ASP X 18 -5.299 10.016 -0.148 1.00 0.00 O ATOM 189 CB ASP X 18 -7.465 11.805 -2.321 1.00 0.00 C ATOM 190 CG ASP X 18 -8.291 12.353 -1.154 1.00 0.00 C ATOM 191 OD1 ASP X 18 -8.076 13.523 -0.758 1.00 0.00 O ATOM 192 OD2 ASP X 18 -9.031 11.550 -0.548 1.00 0.00 O ATOM 0 H ASP X 18 -6.358 10.063 -3.463 1.00 0.00 H new ATOM 0 HA ASP X 18 -5.390 12.382 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP X 18 -7.489 12.531 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP X 18 -7.945 10.898 -2.689 1.00 0.00 H new ATOM 197 N CYS X 19 -5.917 12.092 0.379 1.00 0.00 N ATOM 198 CA CYS X 19 -5.859 11.932 1.827 1.00 0.00 C ATOM 199 C CYS X 19 -7.278 11.714 2.378 1.00 0.00 C ATOM 200 O CYS X 19 -7.567 10.627 2.891 1.00 0.00 O ATOM 201 CB CYS X 19 -5.160 13.179 2.390 1.00 0.00 C ATOM 202 SG CYS X 19 -4.971 13.017 4.186 1.00 0.00 S ATOM 0 H CYS X 19 -6.154 13.043 0.097 1.00 0.00 H new ATOM 0 HA CYS X 19 -5.288 11.054 2.129 1.00 0.00 H new ATOM 0 HB2 CYS X 19 -4.183 13.303 1.922 1.00 0.00 H new ATOM 0 HB3 CYS X 19 -5.741 14.071 2.155 1.00 0.00 H new ATOM 0 HG CYS X 19 -4.377 14.073 4.657 1.00 0.00 H new ATOM 208 N THR X 20 -8.128 12.735 2.187 1.00 0.00 N ATOM 209 CA THR X 20 -9.500 12.976 2.672 1.00 0.00 C ATOM 210 C THR X 20 -10.354 11.726 2.790 1.00 0.00 C ATOM 211 O THR X 20 -11.064 11.543 3.771 1.00 0.00 O ATOM 212 CB THR X 20 -10.195 13.973 1.724 1.00 0.00 C ATOM 213 OG1 THR X 20 -9.271 14.914 1.221 1.00 0.00 O ATOM 214 CG2 THR X 20 -11.305 14.745 2.436 1.00 0.00 C ATOM 0 H THR X 20 -7.828 13.520 1.609 1.00 0.00 H new ATOM 0 HA THR X 20 -9.403 13.372 3.683 1.00 0.00 H new ATOM 0 HB THR X 20 -10.620 13.384 0.911 1.00 0.00 H new ATOM 0 HG1 THR X 20 -8.916 14.598 0.364 1.00 0.00 H new ATOM 0 HG21 THR X 20 -11.772 15.438 1.737 1.00 0.00 H new ATOM 0 HG22 THR X 20 -12.053 14.046 2.808 1.00 0.00 H new ATOM 0 HG23 THR X 20 -10.882 15.303 3.272 1.00 0.00 H new ATOM 222 N SER X 21 -10.284 10.842 1.808 1.00 0.00 N ATOM 223 CA SER X 21 -10.891 9.518 1.828 1.00 0.00 C ATOM 224 C SER X 21 -10.160 8.583 0.860 1.00 0.00 C ATOM 225 O SER X 21 -10.752 8.114 -0.114 1.00 0.00 O ATOM 226 CB SER X 21 -12.401 9.610 1.559 1.00 0.00 C ATOM 227 OG SER X 21 -13.076 10.026 2.730 1.00 0.00 O ATOM 0 H SER X 21 -9.783 11.033 0.940 1.00 0.00 H new ATOM 0 HA SER X 21 -10.784 9.084 2.822 1.00 0.00 H new ATOM 0 HB2 SER X 21 -12.592 10.314 0.749 1.00 0.00 H new ATOM 0 HB3 SER X 21 -12.781 8.641 1.235 1.00 0.00 H new ATOM 0 HG SER X 21 -12.458 10.524 3.304 1.00 0.00 H new ATOM 233 N CYS X 22 -8.876 8.286 1.143 1.00 0.00 N ATOM 234 CA CYS X 22 -7.987 7.518 0.253 1.00 0.00 C ATOM 235 C CYS X 22 -6.721 7.018 0.939 1.00 0.00 C ATOM 236 O CYS X 22 -6.463 5.818 0.841 1.00 0.00 O ATOM 237 CB CYS X 22 -7.685 8.294 -1.039 1.00 0.00 C ATOM 238 SG CYS X 22 -8.416 7.467 -2.481 1.00 0.00 S ATOM 0 H CYS X 22 -8.422 8.578 2.009 1.00 0.00 H new ATOM 0 HA CYS X 22 -8.534 6.617 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS X 22 -8.078 9.308 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS X 22 -6.607 8.380 -1.172 1.00 0.00 H new ATOM 0 HG CYS X 22 -7.810 7.862 -3.561 1.00 0.00 H new ATOM 244 N LYS X 23 -6.021 7.842 1.737 1.00 0.00 N ATOM 245 CA LYS X 23 -4.956 7.308 2.606 1.00 0.00 C ATOM 246 C LYS X 23 -5.514 6.165 3.473 1.00 0.00 C ATOM 247 O LYS X 23 -5.040 5.027 3.410 1.00 0.00 O ATOM 248 CB LYS X 23 -4.233 8.404 3.429 1.00 0.00 C ATOM 249 CG LYS X 23 -4.955 9.080 4.606 1.00 0.00 C ATOM 250 CD LYS X 23 -4.025 9.902 5.518 1.00 0.00 C ATOM 251 CE LYS X 23 -3.446 9.106 6.705 1.00 0.00 C ATOM 252 NZ LYS X 23 -2.274 8.266 6.367 1.00 0.00 N ATOM 0 H LYS X 23 -6.165 8.850 1.800 1.00 0.00 H new ATOM 0 HA LYS X 23 -4.175 6.895 1.968 1.00 0.00 H new ATOM 0 HB2 LYS X 23 -3.316 7.964 3.820 1.00 0.00 H new ATOM 0 HB3 LYS X 23 -3.938 9.190 2.734 1.00 0.00 H new ATOM 0 HG2 LYS X 23 -5.735 9.733 4.215 1.00 0.00 H new ATOM 0 HG3 LYS X 23 -5.451 8.315 5.204 1.00 0.00 H new ATOM 0 HD2 LYS X 23 -3.202 10.294 4.921 1.00 0.00 H new ATOM 0 HD3 LYS X 23 -4.576 10.760 5.903 1.00 0.00 H new ATOM 0 HE2 LYS X 23 -3.161 9.805 7.491 1.00 0.00 H new ATOM 0 HE3 LYS X 23 -4.229 8.468 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 -1.948 7.766 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 -2.542 7.572 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 -1.508 8.869 6.005 1.00 0.00 H new ATOM 266 N LEU X 24 -6.659 6.444 4.115 1.00 0.00 N ATOM 267 CA LEU X 24 -7.405 5.513 4.948 1.00 0.00 C ATOM 268 C LEU X 24 -7.738 4.219 4.226 1.00 0.00 C ATOM 269 O LEU X 24 -7.503 3.129 4.735 1.00 0.00 O ATOM 270 CB LEU X 24 -8.713 6.125 5.499 1.00 0.00 C ATOM 271 CG LEU X 24 -9.395 7.293 4.749 1.00 0.00 C ATOM 272 CD1 LEU X 24 -10.904 7.253 5.040 1.00 0.00 C ATOM 273 CD2 LEU X 24 -8.841 8.650 5.205 1.00 0.00 C ATOM 0 H LEU X 24 -7.100 7.362 4.060 1.00 0.00 H new ATOM 0 HA LEU X 24 -6.739 5.291 5.782 1.00 0.00 H new ATOM 0 HB2 LEU X 24 -9.442 5.318 5.574 1.00 0.00 H new ATOM 0 HB3 LEU X 24 -8.509 6.466 6.514 1.00 0.00 H new ATOM 0 HG LEU X 24 -9.198 7.180 3.683 1.00 0.00 H new ATOM 0 HD11 LEU X 24 -11.397 8.072 4.517 1.00 0.00 H new ATOM 0 HD12 LEU X 24 -11.316 6.304 4.698 1.00 0.00 H new ATOM 0 HD13 LEU X 24 -11.071 7.355 6.112 1.00 0.00 H new ATOM 0 HD21 LEU X 24 -9.341 9.449 4.659 1.00 0.00 H new ATOM 0 HD22 LEU X 24 -9.018 8.775 6.273 1.00 0.00 H new ATOM 0 HD23 LEU X 24 -7.770 8.691 5.007 1.00 0.00 H new ATOM 285 N LYS X 25 -8.289 4.348 3.022 1.00 0.00 N ATOM 286 CA LYS X 25 -8.812 3.209 2.277 1.00 0.00 C ATOM 287 C LYS X 25 -7.724 2.211 1.861 1.00 0.00 C ATOM 288 O LYS X 25 -8.054 1.054 1.592 1.00 0.00 O ATOM 289 CB LYS X 25 -9.564 3.717 1.036 1.00 0.00 C ATOM 290 CG LYS X 25 -10.741 4.669 1.293 1.00 0.00 C ATOM 291 CD LYS X 25 -11.570 4.959 0.024 1.00 0.00 C ATOM 292 CE LYS X 25 -10.728 5.471 -1.160 1.00 0.00 C ATOM 293 NZ LYS X 25 -11.524 6.248 -2.138 1.00 0.00 N ATOM 0 H LYS X 25 -8.385 5.241 2.538 1.00 0.00 H new ATOM 0 HA LYS X 25 -9.489 2.670 2.940 1.00 0.00 H new ATOM 0 HB2 LYS X 25 -8.850 4.224 0.388 1.00 0.00 H new ATOM 0 HB3 LYS X 25 -9.937 2.853 0.485 1.00 0.00 H new ATOM 0 HG2 LYS X 25 -11.391 4.237 2.054 1.00 0.00 H new ATOM 0 HG3 LYS X 25 -10.361 5.608 1.694 1.00 0.00 H new ATOM 0 HD2 LYS X 25 -12.089 4.049 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS X 25 -12.335 5.698 0.261 1.00 0.00 H new ATOM 0 HE2 LYS X 25 -9.918 6.094 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS X 25 -10.267 4.622 -1.666 1.00 0.00 H new ATOM 0 HZ1 LYS X 25 -10.906 6.926 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS X 25 -11.948 5.601 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS X 25 -12.278 6.764 -1.641 1.00 0.00 H new ATOM 307 N ILE X 26 -6.458 2.646 1.808 1.00 0.00 N ATOM 308 CA ILE X 26 -5.289 1.761 1.772 1.00 0.00 C ATOM 309 C ILE X 26 -5.029 1.196 3.161 1.00 0.00 C ATOM 310 O ILE X 26 -5.245 0.001 3.371 1.00 0.00 O ATOM 311 CB ILE X 26 -4.036 2.456 1.175 1.00 0.00 C ATOM 312 CG1 ILE X 26 -4.292 3.036 -0.232 1.00 0.00 C ATOM 313 CG2 ILE X 26 -2.845 1.476 1.159 1.00 0.00 C ATOM 314 CD1 ILE X 26 -4.716 1.995 -1.274 1.00 0.00 C ATOM 0 H ILE X 26 -6.215 3.636 1.789 1.00 0.00 H new ATOM 0 HA ILE X 26 -5.510 0.933 1.099 1.00 0.00 H new ATOM 0 HB ILE X 26 -3.795 3.302 1.818 1.00 0.00 H new ATOM 0 HG12 ILE X 26 -5.066 3.800 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE X 26 -3.385 3.532 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE X 26 -1.971 1.973 0.738 1.00 0.00 H new ATOM 0 HG22 ILE X 26 -2.625 1.154 2.177 1.00 0.00 H new ATOM 0 HG23 ILE X 26 -3.097 0.607 0.550 1.00 0.00 H new ATOM 0 HD11 ILE X 26 -4.876 2.485 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE X 26 -3.934 1.243 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE X 26 -5.641 1.515 -0.954 1.00 0.00 H new ATOM 326 N GLU X 27 -4.546 2.049 4.068 1.00 0.00 N ATOM 327 CA GLU X 27 -3.784 1.657 5.254 1.00 0.00 C ATOM 328 C GLU X 27 -4.601 0.715 6.151 1.00 0.00 C ATOM 329 O GLU X 27 -4.125 -0.373 6.479 1.00 0.00 O ATOM 330 CB GLU X 27 -3.310 2.935 5.986 1.00 0.00 C ATOM 331 CG GLU X 27 -2.203 3.692 5.210 1.00 0.00 C ATOM 332 CD GLU X 27 -2.076 5.178 5.583 1.00 0.00 C ATOM 333 OE1 GLU X 27 -3.118 5.870 5.632 1.00 0.00 O ATOM 334 OE2 GLU X 27 -0.943 5.717 5.696 1.00 0.00 O ATOM 0 H GLU X 27 -4.678 3.058 3.995 1.00 0.00 H new ATOM 0 HA GLU X 27 -2.901 1.088 4.962 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -4.161 3.599 6.137 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -2.936 2.666 6.974 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -1.247 3.201 5.391 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -2.405 3.613 4.142 1.00 0.00 H new ATOM 341 N GLY X 28 -5.871 1.050 6.432 1.00 0.00 N ATOM 342 CA GLY X 28 -6.731 0.235 7.306 1.00 0.00 C ATOM 343 C GLY X 28 -7.395 -0.946 6.618 1.00 0.00 C ATOM 344 O GLY X 28 -8.255 -1.589 7.211 1.00 0.00 O ATOM 0 H GLY X 28 -6.327 1.885 6.064 1.00 0.00 H new ATOM 0 HA2 GLY X 28 -6.133 -0.136 8.139 1.00 0.00 H new ATOM 0 HA3 GLY X 28 -7.506 0.874 7.730 1.00 0.00 H new ATOM 348 N SER X 29 -7.012 -1.271 5.384 1.00 0.00 N ATOM 349 CA SER X 29 -7.235 -2.625 4.887 1.00 0.00 C ATOM 350 C SER X 29 -6.035 -3.524 5.190 1.00 0.00 C ATOM 351 O SER X 29 -6.251 -4.614 5.711 1.00 0.00 O ATOM 352 CB SER X 29 -7.537 -2.614 3.397 1.00 0.00 C ATOM 353 OG SER X 29 -8.216 -3.798 3.013 1.00 0.00 O ATOM 0 H SER X 29 -6.559 -0.635 4.727 1.00 0.00 H new ATOM 0 HA SER X 29 -8.103 -3.033 5.406 1.00 0.00 H new ATOM 0 HB2 SER X 29 -8.146 -1.744 3.151 1.00 0.00 H new ATOM 0 HB3 SER X 29 -6.608 -2.523 2.834 1.00 0.00 H new ATOM 0 HG SER X 29 -7.771 -4.192 2.234 1.00 0.00 H new ATOM 359 N LEU X 30 -4.805 -3.075 4.887 1.00 0.00 N ATOM 360 CA LEU X 30 -3.549 -3.809 5.066 1.00 0.00 C ATOM 361 C LEU X 30 -3.358 -4.412 6.465 1.00 0.00 C ATOM 362 O LEU X 30 -2.885 -5.539 6.548 1.00 0.00 O ATOM 363 CB LEU X 30 -2.364 -2.881 4.764 1.00 0.00 C ATOM 364 CG LEU X 30 -2.321 -2.147 3.412 1.00 0.00 C ATOM 365 CD1 LEU X 30 -1.043 -1.301 3.322 1.00 0.00 C ATOM 366 CD2 LEU X 30 -2.388 -3.105 2.217 1.00 0.00 C ATOM 0 H LEU X 30 -4.657 -2.146 4.492 1.00 0.00 H new ATOM 0 HA LEU X 30 -3.595 -4.646 4.370 1.00 0.00 H new ATOM 0 HB2 LEU X 30 -2.327 -2.127 5.550 1.00 0.00 H new ATOM 0 HB3 LEU X 30 -1.452 -3.473 4.847 1.00 0.00 H new ATOM 0 HG LEU X 30 -3.203 -1.508 3.365 1.00 0.00 H new ATOM 0 HD11 LEU X 30 -1.016 -0.783 2.363 1.00 0.00 H new ATOM 0 HD12 LEU X 30 -1.033 -0.570 4.130 1.00 0.00 H new ATOM 0 HD13 LEU X 30 -0.171 -1.949 3.409 1.00 0.00 H new ATOM 0 HD21 LEU X 30 -2.354 -2.533 1.290 1.00 0.00 H new ATOM 0 HD22 LEU X 30 -1.541 -3.790 2.252 1.00 0.00 H new ATOM 0 HD23 LEU X 30 -3.317 -3.674 2.258 1.00 0.00 H new ATOM 378 N GLU X 31 -3.773 -3.713 7.531 1.00 0.00 N ATOM 379 CA GLU X 31 -3.744 -4.260 8.901 1.00 0.00 C ATOM 380 C GLU X 31 -4.514 -5.585 9.010 1.00 0.00 C ATOM 381 O GLU X 31 -4.112 -6.504 9.717 1.00 0.00 O ATOM 382 CB GLU X 31 -4.432 -3.317 9.905 1.00 0.00 C ATOM 383 CG GLU X 31 -4.089 -1.822 9.902 1.00 0.00 C ATOM 384 CD GLU X 31 -5.117 -1.080 10.765 1.00 0.00 C ATOM 385 OE1 GLU X 31 -6.328 -1.218 10.458 1.00 0.00 O ATOM 386 OE2 GLU X 31 -4.741 -0.449 11.771 1.00 0.00 O ATOM 0 H GLU X 31 -4.135 -2.761 7.473 1.00 0.00 H new ATOM 0 HA GLU X 31 -2.686 -4.392 9.126 1.00 0.00 H new ATOM 0 HB2 GLU X 31 -5.507 -3.405 9.750 1.00 0.00 H new ATOM 0 HB3 GLU X 31 -4.222 -3.697 10.905 1.00 0.00 H new ATOM 0 HG2 GLU X 31 -3.084 -1.664 10.292 1.00 0.00 H new ATOM 0 HG3 GLU X 31 -4.100 -1.434 8.884 1.00 0.00 H new ATOM 393 N ARG X 32 -5.656 -5.664 8.319 1.00 0.00 N ATOM 394 CA ARG X 32 -6.484 -6.875 8.246 1.00 0.00 C ATOM 395 C ARG X 32 -6.034 -7.842 7.134 1.00 0.00 C ATOM 396 O ARG X 32 -6.522 -8.983 7.066 1.00 0.00 O ATOM 397 CB ARG X 32 -7.976 -6.502 8.148 1.00 0.00 C ATOM 398 CG ARG X 32 -8.431 -5.574 9.298 1.00 0.00 C ATOM 399 CD ARG X 32 -8.453 -4.092 8.882 1.00 0.00 C ATOM 400 NE ARG X 32 -8.225 -3.150 9.991 1.00 0.00 N ATOM 401 CZ ARG X 32 -8.941 -2.893 11.074 1.00 0.00 C ATOM 402 NH1 ARG X 32 -10.054 -3.536 11.357 1.00 0.00 N ATOM 403 NH2 ARG X 32 -8.509 -1.954 11.885 1.00 0.00 N ATOM 0 H ARG X 32 -6.037 -4.881 7.788 1.00 0.00 H new ATOM 0 HA ARG X 32 -6.342 -7.429 9.174 1.00 0.00 H new ATOM 0 HB2 ARG X 32 -8.162 -6.010 7.193 1.00 0.00 H new ATOM 0 HB3 ARG X 32 -8.576 -7.412 8.160 1.00 0.00 H new ATOM 0 HG2 ARG X 32 -9.426 -5.871 9.628 1.00 0.00 H new ATOM 0 HG3 ARG X 32 -7.762 -5.700 10.149 1.00 0.00 H new ATOM 0 HD2 ARG X 32 -7.691 -3.929 8.119 1.00 0.00 H new ATOM 0 HD3 ARG X 32 -9.416 -3.869 8.423 1.00 0.00 H new ATOM 0 HE ARG X 32 -7.369 -2.602 9.911 1.00 0.00 H new ATOM 0 HH11 ARG X 32 -10.396 -4.265 10.730 1.00 0.00 H new ATOM 0 HH12 ARG X 32 -10.575 -3.306 12.203 1.00 0.00 H new ATOM 0 HH21 ARG X 32 -7.648 -1.451 11.670 1.00 0.00 H new ATOM 0 HH22 ARG X 32 -9.034 -1.728 12.730 1.00 0.00 H new ATOM 417 N LEU X 33 -5.117 -7.409 6.259 1.00 0.00 N ATOM 418 CA LEU X 33 -4.414 -8.277 5.317 1.00 0.00 C ATOM 419 C LEU X 33 -3.249 -8.993 6.009 1.00 0.00 C ATOM 420 O LEU X 33 -3.093 -8.962 7.226 1.00 0.00 O ATOM 421 CB LEU X 33 -4.027 -7.565 4.005 1.00 0.00 C ATOM 422 CG LEU X 33 -5.167 -6.794 3.315 1.00 0.00 C ATOM 423 CD1 LEU X 33 -4.779 -6.343 1.903 1.00 0.00 C ATOM 424 CD2 LEU X 33 -6.491 -7.573 3.214 1.00 0.00 C ATOM 0 H LEU X 33 -4.841 -6.430 6.188 1.00 0.00 H new ATOM 0 HA LEU X 33 -5.111 -9.051 4.994 1.00 0.00 H new ATOM 0 HB2 LEU X 33 -3.214 -6.869 4.214 1.00 0.00 H new ATOM 0 HB3 LEU X 33 -3.639 -8.308 3.308 1.00 0.00 H new ATOM 0 HG LEU X 33 -5.328 -5.934 3.965 1.00 0.00 H new ATOM 0 HD11 LEU X 33 -5.611 -5.803 1.452 1.00 0.00 H new ATOM 0 HD12 LEU X 33 -3.908 -5.689 1.956 1.00 0.00 H new ATOM 0 HD13 LEU X 33 -4.541 -7.216 1.295 1.00 0.00 H new ATOM 0 HD21 LEU X 33 -7.239 -6.956 2.715 1.00 0.00 H new ATOM 0 HD22 LEU X 33 -6.333 -8.487 2.641 1.00 0.00 H new ATOM 0 HD23 LEU X 33 -6.840 -7.828 4.215 1.00 0.00 H new ATOM 436 N LYS X 34 -2.553 -9.819 5.242 1.00 0.00 N ATOM 437 CA LYS X 34 -1.497 -10.716 5.719 1.00 0.00 C ATOM 438 C LYS X 34 -0.152 -10.303 5.092 1.00 0.00 C ATOM 439 O LYS X 34 -0.120 -9.557 4.121 1.00 0.00 O ATOM 440 CB LYS X 34 -1.894 -12.164 5.346 1.00 0.00 C ATOM 441 CG LYS X 34 -3.066 -12.787 6.143 1.00 0.00 C ATOM 442 CD LYS X 34 -4.378 -11.985 6.128 1.00 0.00 C ATOM 443 CE LYS X 34 -5.623 -12.712 6.627 1.00 0.00 C ATOM 444 NZ LYS X 34 -6.785 -11.789 6.540 1.00 0.00 N ATOM 0 H LYS X 34 -2.709 -9.890 4.236 1.00 0.00 H new ATOM 0 HA LYS X 34 -1.381 -10.654 6.801 1.00 0.00 H new ATOM 0 HB2 LYS X 34 -2.153 -12.185 4.287 1.00 0.00 H new ATOM 0 HB3 LYS X 34 -1.019 -12.801 5.473 1.00 0.00 H new ATOM 0 HG2 LYS X 34 -3.264 -13.782 5.745 1.00 0.00 H new ATOM 0 HG3 LYS X 34 -2.751 -12.915 7.179 1.00 0.00 H new ATOM 0 HD2 LYS X 34 -4.239 -11.090 6.735 1.00 0.00 H new ATOM 0 HD3 LYS X 34 -4.563 -11.652 5.107 1.00 0.00 H new ATOM 0 HE2 LYS X 34 -5.804 -13.604 6.028 1.00 0.00 H new ATOM 0 HE3 LYS X 34 -5.480 -13.043 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS X 34 -7.516 -12.086 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS X 34 -6.477 -10.821 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS X 34 -7.176 -11.813 5.577 1.00 0.00 H new ATOM 458 N GLY X 35 0.987 -10.740 5.637 1.00 0.00 N ATOM 459 CA GLY X 35 2.303 -10.660 4.979 1.00 0.00 C ATOM 460 C GLY X 35 2.985 -9.305 5.103 1.00 0.00 C ATOM 461 O GLY X 35 4.197 -9.235 5.213 1.00 0.00 O ATOM 0 H GLY X 35 1.026 -11.167 6.563 1.00 0.00 H new ATOM 0 HA2 GLY X 35 2.956 -11.422 5.405 1.00 0.00 H new ATOM 0 HA3 GLY X 35 2.183 -10.897 3.922 1.00 0.00 H new ATOM 465 N VAL X 36 2.198 -8.245 5.144 1.00 0.00 N ATOM 466 CA VAL X 36 2.629 -6.894 5.529 1.00 0.00 C ATOM 467 C VAL X 36 2.364 -6.678 7.025 1.00 0.00 C ATOM 468 O VAL X 36 1.381 -7.199 7.555 1.00 0.00 O ATOM 469 CB VAL X 36 1.972 -5.824 4.632 1.00 0.00 C ATOM 470 CG1 VAL X 36 0.484 -5.607 4.945 1.00 0.00 C ATOM 471 CG2 VAL X 36 2.730 -4.496 4.721 1.00 0.00 C ATOM 0 H VAL X 36 1.208 -8.292 4.904 1.00 0.00 H new ATOM 0 HA VAL X 36 3.703 -6.791 5.371 1.00 0.00 H new ATOM 0 HB VAL X 36 2.030 -6.205 3.612 1.00 0.00 H new ATOM 0 HG11 VAL X 36 0.080 -4.843 4.281 1.00 0.00 H new ATOM 0 HG12 VAL X 36 -0.059 -6.541 4.797 1.00 0.00 H new ATOM 0 HG13 VAL X 36 0.373 -5.283 5.980 1.00 0.00 H new ATOM 0 HG21 VAL X 36 2.248 -3.758 4.080 1.00 0.00 H new ATOM 0 HG22 VAL X 36 2.723 -4.141 5.752 1.00 0.00 H new ATOM 0 HG23 VAL X 36 3.760 -4.642 4.395 1.00 0.00 H new ATOM 481 N ALA X 37 3.247 -5.940 7.706 1.00 0.00 N ATOM 482 CA ALA X 37 3.133 -5.676 9.149 1.00 0.00 C ATOM 483 C ALA X 37 3.465 -4.230 9.568 1.00 0.00 C ATOM 484 O ALA X 37 3.156 -3.862 10.699 1.00 0.00 O ATOM 485 CB ALA X 37 3.976 -6.709 9.908 1.00 0.00 C ATOM 0 H ALA X 37 4.063 -5.507 7.274 1.00 0.00 H new ATOM 0 HA ALA X 37 2.082 -5.782 9.416 1.00 0.00 H new ATOM 0 HB1 ALA X 37 3.900 -6.524 10.980 1.00 0.00 H new ATOM 0 HB2 ALA X 37 3.610 -7.711 9.686 1.00 0.00 H new ATOM 0 HB3 ALA X 37 5.018 -6.626 9.599 1.00 0.00 H new ATOM 491 N GLU X 38 4.014 -3.398 8.676 1.00 0.00 N ATOM 492 CA GLU X 38 3.999 -1.936 8.797 1.00 0.00 C ATOM 493 C GLU X 38 3.503 -1.325 7.485 1.00 0.00 C ATOM 494 O GLU X 38 3.668 -1.914 6.416 1.00 0.00 O ATOM 495 CB GLU X 38 5.392 -1.341 9.012 1.00 0.00 C ATOM 496 CG GLU X 38 6.175 -1.914 10.188 1.00 0.00 C ATOM 497 CD GLU X 38 7.693 -1.773 10.002 1.00 0.00 C ATOM 498 OE1 GLU X 38 8.120 -0.849 9.268 1.00 0.00 O ATOM 499 OE2 GLU X 38 8.431 -2.613 10.558 1.00 0.00 O ATOM 0 H GLU X 38 4.489 -3.727 7.836 1.00 0.00 H new ATOM 0 HA GLU X 38 3.361 -1.713 9.652 1.00 0.00 H new ATOM 0 HB2 GLU X 38 5.975 -1.488 8.103 1.00 0.00 H new ATOM 0 HB3 GLU X 38 5.291 -0.265 9.155 1.00 0.00 H new ATOM 0 HG2 GLU X 38 5.875 -1.405 11.104 1.00 0.00 H new ATOM 0 HG3 GLU X 38 5.923 -2.967 10.311 1.00 0.00 H new ATOM 506 N ALA X 39 3.029 -0.083 7.539 1.00 0.00 N ATOM 507 CA ALA X 39 2.852 0.744 6.347 1.00 0.00 C ATOM 508 C ALA X 39 2.757 2.244 6.704 1.00 0.00 C ATOM 509 O ALA X 39 2.627 2.592 7.878 1.00 0.00 O ATOM 510 CB ALA X 39 1.598 0.283 5.578 1.00 0.00 C ATOM 0 H ALA X 39 2.757 0.378 8.407 1.00 0.00 H new ATOM 0 HA ALA X 39 3.728 0.621 5.710 1.00 0.00 H new ATOM 0 HB1 ALA X 39 1.468 0.901 4.690 1.00 0.00 H new ATOM 0 HB2 ALA X 39 1.716 -0.759 5.281 1.00 0.00 H new ATOM 0 HB3 ALA X 39 0.722 0.380 6.219 1.00 0.00 H new ATOM 516 N SER X 40 2.738 3.133 5.704 1.00 0.00 N ATOM 517 CA SER X 40 2.319 4.551 5.801 1.00 0.00 C ATOM 518 C SER X 40 2.306 5.263 4.434 1.00 0.00 C ATOM 519 O SER X 40 3.191 5.068 3.603 1.00 0.00 O ATOM 520 CB SER X 40 3.200 5.366 6.768 1.00 0.00 C ATOM 521 OG SER X 40 2.763 5.219 8.106 1.00 0.00 O ATOM 0 H SER X 40 3.026 2.880 4.759 1.00 0.00 H new ATOM 0 HA SER X 40 1.302 4.510 6.192 1.00 0.00 H new ATOM 0 HB2 SER X 40 4.236 5.039 6.683 1.00 0.00 H new ATOM 0 HB3 SER X 40 3.174 6.419 6.488 1.00 0.00 H new ATOM 0 HG SER X 40 2.639 4.268 8.307 1.00 0.00 H new ATOM 527 N VAL X 41 1.341 6.156 4.191 1.00 0.00 N ATOM 528 CA VAL X 41 1.301 6.932 2.931 1.00 0.00 C ATOM 529 C VAL X 41 2.321 8.083 2.857 1.00 0.00 C ATOM 530 O VAL X 41 2.610 8.742 3.856 1.00 0.00 O ATOM 531 CB VAL X 41 -0.099 7.495 2.606 1.00 0.00 C ATOM 532 CG1 VAL X 41 -1.214 6.439 2.619 1.00 0.00 C ATOM 533 CG2 VAL X 41 -0.472 8.693 3.504 1.00 0.00 C ATOM 0 H VAL X 41 0.581 6.364 4.838 1.00 0.00 H new ATOM 0 HA VAL X 41 1.576 6.189 2.182 1.00 0.00 H new ATOM 0 HB VAL X 41 -0.021 7.849 1.578 1.00 0.00 H new ATOM 0 HG11 VAL X 41 -2.167 6.913 2.382 1.00 0.00 H new ATOM 0 HG12 VAL X 41 -0.996 5.671 1.877 1.00 0.00 H new ATOM 0 HG13 VAL X 41 -1.272 5.983 3.607 1.00 0.00 H new ATOM 0 HG21 VAL X 41 -1.465 9.053 3.236 1.00 0.00 H new ATOM 0 HG22 VAL X 41 -0.469 8.380 4.548 1.00 0.00 H new ATOM 0 HG23 VAL X 41 0.254 9.493 3.363 1.00 0.00 H new ATOM 543 N THR X 42 2.728 8.410 1.619 1.00 0.00 N ATOM 544 CA THR X 42 3.394 9.661 1.210 1.00 0.00 C ATOM 545 C THR X 42 2.585 10.269 0.060 1.00 0.00 C ATOM 546 O THR X 42 3.005 10.329 -1.096 1.00 0.00 O ATOM 547 CB THR X 42 4.862 9.417 0.840 1.00 0.00 C ATOM 548 OG1 THR X 42 5.496 8.799 1.929 1.00 0.00 O ATOM 549 CG2 THR X 42 5.636 10.711 0.559 1.00 0.00 C ATOM 0 H THR X 42 2.594 7.774 0.832 1.00 0.00 H new ATOM 0 HA THR X 42 3.420 10.369 2.039 1.00 0.00 H new ATOM 0 HB THR X 42 4.863 8.808 -0.064 1.00 0.00 H new ATOM 0 HG1 THR X 42 6.437 8.634 1.709 1.00 0.00 H new ATOM 0 HG21 THR X 42 6.668 10.470 0.303 1.00 0.00 H new ATOM 0 HG22 THR X 42 5.170 11.240 -0.272 1.00 0.00 H new ATOM 0 HG23 THR X 42 5.621 11.344 1.446 1.00 0.00 H new ATOM 557 N VAL X 43 1.373 10.708 0.399 1.00 0.00 N ATOM 558 CA VAL X 43 0.410 11.380 -0.508 1.00 0.00 C ATOM 559 C VAL X 43 1.036 12.622 -1.155 1.00 0.00 C ATOM 560 O VAL X 43 0.785 12.896 -2.324 1.00 0.00 O ATOM 561 CB VAL X 43 -0.894 11.765 0.241 1.00 0.00 C ATOM 562 CG1 VAL X 43 -1.790 12.782 -0.487 1.00 0.00 C ATOM 563 CG2 VAL X 43 -1.722 10.509 0.547 1.00 0.00 C ATOM 0 H VAL X 43 1.010 10.607 1.347 1.00 0.00 H new ATOM 0 HA VAL X 43 0.156 10.671 -1.296 1.00 0.00 H new ATOM 0 HB VAL X 43 -0.554 12.254 1.154 1.00 0.00 H new ATOM 0 HG11 VAL X 43 -2.675 12.985 0.117 1.00 0.00 H new ATOM 0 HG12 VAL X 43 -1.237 13.708 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL X 43 -2.094 12.374 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL X 43 -2.634 10.793 1.072 1.00 0.00 H new ATOM 0 HG22 VAL X 43 -1.982 10.008 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL X 43 -1.139 9.832 1.172 1.00 0.00 H new ATOM 573 N ALA X 44 1.934 13.307 -0.437 1.00 0.00 N ATOM 574 CA ALA X 44 2.704 14.463 -0.903 1.00 0.00 C ATOM 575 C ALA X 44 3.695 14.169 -2.055 1.00 0.00 C ATOM 576 O ALA X 44 4.497 15.037 -2.404 1.00 0.00 O ATOM 577 CB ALA X 44 3.419 15.049 0.323 1.00 0.00 C ATOM 0 H ALA X 44 2.152 13.058 0.528 1.00 0.00 H new ATOM 0 HA ALA X 44 2.011 15.177 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA X 44 4.007 15.916 0.021 1.00 0.00 H new ATOM 0 HB2 ALA X 44 2.680 15.352 1.065 1.00 0.00 H new ATOM 0 HB3 ALA X 44 4.078 14.296 0.754 1.00 0.00 H new ATOM 583 N THR X 45 3.684 12.962 -2.638 1.00 0.00 N ATOM 584 CA THR X 45 4.456 12.620 -3.846 1.00 0.00 C ATOM 585 C THR X 45 3.698 11.601 -4.708 1.00 0.00 C ATOM 586 O THR X 45 4.258 11.076 -5.663 1.00 0.00 O ATOM 587 CB THR X 45 5.865 12.117 -3.465 1.00 0.00 C ATOM 588 OG1 THR X 45 6.368 12.832 -2.360 1.00 0.00 O ATOM 589 CG2 THR X 45 6.896 12.315 -4.579 1.00 0.00 C ATOM 0 H THR X 45 3.131 12.183 -2.280 1.00 0.00 H new ATOM 0 HA THR X 45 4.581 13.521 -4.446 1.00 0.00 H new ATOM 0 HB THR X 45 5.735 11.055 -3.255 1.00 0.00 H new ATOM 0 HG1 THR X 45 7.261 12.498 -2.133 1.00 0.00 H new ATOM 0 HG21 THR X 45 7.865 11.941 -4.248 1.00 0.00 H new ATOM 0 HG22 THR X 45 6.580 11.769 -5.468 1.00 0.00 H new ATOM 0 HG23 THR X 45 6.978 13.376 -4.815 1.00 0.00 H new ATOM 597 N GLY X 46 2.447 11.266 -4.353 1.00 0.00 N ATOM 598 CA GLY X 46 1.700 10.147 -4.932 1.00 0.00 C ATOM 599 C GLY X 46 2.455 8.843 -4.710 1.00 0.00 C ATOM 600 O GLY X 46 2.784 8.153 -5.675 1.00 0.00 O ATOM 0 H GLY X 46 1.921 11.776 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY X 46 0.711 10.086 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY X 46 1.551 10.313 -5.999 1.00 0.00 H new ATOM 604 N ARG X 47 2.777 8.536 -3.446 1.00 0.00 N ATOM 605 CA ARG X 47 3.549 7.355 -3.053 1.00 0.00 C ATOM 606 C ARG X 47 2.951 6.655 -1.826 1.00 0.00 C ATOM 607 O ARG X 47 2.318 7.281 -0.973 1.00 0.00 O ATOM 608 CB ARG X 47 5.020 7.739 -2.797 1.00 0.00 C ATOM 609 CG ARG X 47 5.759 8.186 -4.065 1.00 0.00 C ATOM 610 CD ARG X 47 7.260 8.336 -3.811 1.00 0.00 C ATOM 611 NE ARG X 47 7.915 9.001 -4.948 1.00 0.00 N ATOM 612 CZ ARG X 47 9.196 9.344 -5.018 1.00 0.00 C ATOM 613 NH1 ARG X 47 10.065 9.004 -4.083 1.00 0.00 N ATOM 614 NH2 ARG X 47 9.618 10.039 -6.055 1.00 0.00 N ATOM 0 H ARG X 47 2.501 9.116 -2.653 1.00 0.00 H new ATOM 0 HA ARG X 47 3.505 6.645 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG X 47 5.056 8.543 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG X 47 5.541 6.886 -2.363 1.00 0.00 H new ATOM 0 HG2 ARG X 47 5.594 7.459 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG X 47 5.350 9.135 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG X 47 7.424 8.914 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG X 47 7.707 7.355 -3.650 1.00 0.00 H new ATOM 0 HE ARG X 47 7.332 9.218 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG X 47 9.759 8.461 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG X 47 11.042 9.284 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG X 47 8.964 10.306 -6.790 1.00 0.00 H new ATOM 0 HH22 ARG X 47 10.599 10.310 -6.122 1.00 0.00 H new ATOM 628 N LEU X 48 3.196 5.349 -1.708 1.00 0.00 N ATOM 629 CA LEU X 48 2.834 4.539 -0.536 1.00 0.00 C ATOM 630 C LEU X 48 4.068 3.800 -0.033 1.00 0.00 C ATOM 631 O LEU X 48 4.747 3.175 -0.847 1.00 0.00 O ATOM 632 CB LEU X 48 1.739 3.525 -0.930 1.00 0.00 C ATOM 633 CG LEU X 48 0.319 4.111 -0.995 1.00 0.00 C ATOM 634 CD1 LEU X 48 -0.601 3.214 -1.829 1.00 0.00 C ATOM 635 CD2 LEU X 48 -0.252 4.241 0.409 1.00 0.00 C ATOM 0 H LEU X 48 3.661 4.810 -2.438 1.00 0.00 H new ATOM 0 HA LEU X 48 2.454 5.186 0.255 1.00 0.00 H new ATOM 0 HB2 LEU X 48 1.988 3.101 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU X 48 1.747 2.704 -0.213 1.00 0.00 H new ATOM 0 HG LEU X 48 0.377 5.093 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU X 48 -1.600 3.648 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU X 48 -0.208 3.132 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU X 48 -0.650 2.223 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU X 48 -1.258 4.657 0.356 1.00 0.00 H new ATOM 0 HD22 LEU X 48 -0.290 3.258 0.879 1.00 0.00 H new ATOM 0 HD23 LEU X 48 0.383 4.901 1.000 1.00 0.00 H new ATOM 647 N THR X 49 4.337 3.851 1.276 1.00 0.00 N ATOM 648 CA THR X 49 5.378 3.060 1.943 1.00 0.00 C ATOM 649 C THR X 49 4.735 1.864 2.631 1.00 0.00 C ATOM 650 O THR X 49 3.685 1.991 3.258 1.00 0.00 O ATOM 651 CB THR X 49 6.146 3.914 2.958 1.00 0.00 C ATOM 652 OG1 THR X 49 6.650 5.063 2.315 1.00 0.00 O ATOM 653 CG2 THR X 49 7.343 3.189 3.575 1.00 0.00 C ATOM 0 H THR X 49 3.825 4.458 1.917 1.00 0.00 H new ATOM 0 HA THR X 49 6.091 2.709 1.197 1.00 0.00 H new ATOM 0 HB THR X 49 5.437 4.154 3.751 1.00 0.00 H new ATOM 0 HG1 THR X 49 7.140 5.612 2.962 1.00 0.00 H new ATOM 0 HG21 THR X 49 7.842 3.849 4.284 1.00 0.00 H new ATOM 0 HG22 THR X 49 6.999 2.294 4.093 1.00 0.00 H new ATOM 0 HG23 THR X 49 8.042 2.906 2.788 1.00 0.00 H new ATOM 661 N VAL X 50 5.390 0.713 2.548 1.00 0.00 N ATOM 662 CA VAL X 50 5.073 -0.494 3.324 1.00 0.00 C ATOM 663 C VAL X 50 6.342 -1.079 3.932 1.00 0.00 C ATOM 664 O VAL X 50 7.429 -0.886 3.381 1.00 0.00 O ATOM 665 CB VAL X 50 4.367 -1.589 2.497 1.00 0.00 C ATOM 666 CG1 VAL X 50 2.963 -1.141 2.056 1.00 0.00 C ATOM 667 CG2 VAL X 50 5.198 -2.041 1.287 1.00 0.00 C ATOM 0 H VAL X 50 6.183 0.583 1.920 1.00 0.00 H new ATOM 0 HA VAL X 50 4.381 -0.175 4.103 1.00 0.00 H new ATOM 0 HB VAL X 50 4.262 -2.452 3.155 1.00 0.00 H new ATOM 0 HG11 VAL X 50 2.493 -1.935 1.476 1.00 0.00 H new ATOM 0 HG12 VAL X 50 2.356 -0.927 2.936 1.00 0.00 H new ATOM 0 HG13 VAL X 50 3.043 -0.243 1.444 1.00 0.00 H new ATOM 0 HG21 VAL X 50 4.655 -2.812 0.740 1.00 0.00 H new ATOM 0 HG22 VAL X 50 5.378 -1.189 0.631 1.00 0.00 H new ATOM 0 HG23 VAL X 50 6.151 -2.443 1.630 1.00 0.00 H new ATOM 677 N THR X 51 6.188 -1.851 5.011 1.00 0.00 N ATOM 678 CA THR X 51 7.203 -2.865 5.378 1.00 0.00 C ATOM 679 C THR X 51 6.585 -4.261 5.453 1.00 0.00 C ATOM 680 O THR X 51 5.679 -4.514 6.254 1.00 0.00 O ATOM 681 CB THR X 51 7.953 -2.516 6.668 1.00 0.00 C ATOM 682 OG1 THR X 51 8.275 -1.142 6.709 1.00 0.00 O ATOM 683 CG2 THR X 51 9.271 -3.257 6.848 1.00 0.00 C ATOM 0 H THR X 51 5.388 -1.802 5.642 1.00 0.00 H new ATOM 0 HA THR X 51 7.947 -2.864 4.581 1.00 0.00 H new ATOM 0 HB THR X 51 7.264 -2.811 7.460 1.00 0.00 H new ATOM 0 HG1 THR X 51 8.592 -0.907 7.606 1.00 0.00 H new ATOM 0 HG21 THR X 51 9.735 -2.951 7.785 1.00 0.00 H new ATOM 0 HG22 THR X 51 9.085 -4.331 6.869 1.00 0.00 H new ATOM 0 HG23 THR X 51 9.938 -3.020 6.019 1.00 0.00 H new ATOM 691 N TYR X 52 7.097 -5.167 4.612 1.00 0.00 N ATOM 692 CA TYR X 52 6.554 -6.519 4.395 1.00 0.00 C ATOM 693 C TYR X 52 7.487 -7.700 4.753 1.00 0.00 C ATOM 694 O TYR X 52 8.697 -7.699 4.521 1.00 0.00 O ATOM 695 CB TYR X 52 5.949 -6.650 2.979 1.00 0.00 C ATOM 696 CG TYR X 52 6.720 -6.149 1.754 1.00 0.00 C ATOM 697 CD1 TYR X 52 8.127 -6.216 1.674 1.00 0.00 C ATOM 698 CD2 TYR X 52 6.003 -5.675 0.633 1.00 0.00 C ATOM 699 CE1 TYR X 52 8.804 -5.862 0.495 1.00 0.00 C ATOM 700 CE2 TYR X 52 6.675 -5.308 -0.553 1.00 0.00 C ATOM 701 CZ TYR X 52 8.080 -5.422 -0.634 1.00 0.00 C ATOM 702 OH TYR X 52 8.738 -5.132 -1.791 1.00 0.00 O ATOM 0 H TYR X 52 7.924 -4.977 4.046 1.00 0.00 H new ATOM 0 HA TYR X 52 5.758 -6.615 5.133 1.00 0.00 H new ATOM 0 HB2 TYR X 52 5.738 -7.707 2.816 1.00 0.00 H new ATOM 0 HB3 TYR X 52 4.990 -6.132 2.990 1.00 0.00 H new ATOM 0 HD1 TYR X 52 8.693 -6.545 2.533 1.00 0.00 H new ATOM 0 HD2 TYR X 52 4.927 -5.592 0.684 1.00 0.00 H new ATOM 0 HE1 TYR X 52 9.881 -5.927 0.452 1.00 0.00 H new ATOM 0 HE2 TYR X 52 6.114 -4.940 -1.399 1.00 0.00 H new ATOM 0 HH TYR X 52 8.115 -4.724 -2.428 1.00 0.00 H new ATOM 712 N ASP X 53 6.891 -8.757 5.300 1.00 0.00 N ATOM 713 CA ASP X 53 7.534 -10.003 5.710 1.00 0.00 C ATOM 714 C ASP X 53 7.469 -11.028 4.557 1.00 0.00 C ATOM 715 O ASP X 53 6.375 -11.509 4.234 1.00 0.00 O ATOM 716 CB ASP X 53 6.840 -10.532 6.982 1.00 0.00 C ATOM 717 CG ASP X 53 7.566 -11.735 7.585 1.00 0.00 C ATOM 718 OD1 ASP X 53 8.707 -12.025 7.162 1.00 0.00 O ATOM 719 OD2 ASP X 53 7.031 -12.399 8.503 1.00 0.00 O ATOM 0 H ASP X 53 5.887 -8.767 5.479 1.00 0.00 H new ATOM 0 HA ASP X 53 8.586 -9.829 5.939 1.00 0.00 H new ATOM 0 HB2 ASP X 53 6.788 -9.734 7.723 1.00 0.00 H new ATOM 0 HB3 ASP X 53 5.814 -10.813 6.743 1.00 0.00 H new ATOM 724 N PRO X 54 8.604 -11.363 3.906 1.00 0.00 N ATOM 725 CA PRO X 54 8.632 -12.070 2.622 1.00 0.00 C ATOM 726 C PRO X 54 8.401 -13.588 2.755 1.00 0.00 C ATOM 727 O PRO X 54 8.971 -14.380 2.007 1.00 0.00 O ATOM 728 CB PRO X 54 9.993 -11.702 2.013 1.00 0.00 C ATOM 729 CG PRO X 54 10.889 -11.586 3.244 1.00 0.00 C ATOM 730 CD PRO X 54 9.954 -10.932 4.258 1.00 0.00 C ATOM 0 HA PRO X 54 7.810 -11.768 1.973 1.00 0.00 H new ATOM 0 HB2 PRO X 54 10.349 -12.468 1.324 1.00 0.00 H new ATOM 0 HB3 PRO X 54 9.948 -10.767 1.455 1.00 0.00 H new ATOM 0 HG2 PRO X 54 11.243 -12.559 3.584 1.00 0.00 H new ATOM 0 HG3 PRO X 54 11.771 -10.976 3.050 1.00 0.00 H new ATOM 0 HD2 PRO X 54 10.207 -11.236 5.274 1.00 0.00 H new ATOM 0 HD3 PRO X 54 10.038 -9.846 4.221 1.00 0.00 H new ATOM 738 N LYS X 55 7.578 -14.015 3.719 1.00 0.00 N ATOM 739 CA LYS X 55 7.283 -15.430 3.972 1.00 0.00 C ATOM 740 C LYS X 55 6.125 -15.995 3.128 1.00 0.00 C ATOM 741 O LYS X 55 6.036 -17.212 2.991 1.00 0.00 O ATOM 742 CB LYS X 55 6.986 -15.623 5.471 1.00 0.00 C ATOM 743 CG LYS X 55 8.222 -15.394 6.354 1.00 0.00 C ATOM 744 CD LYS X 55 7.885 -15.671 7.828 1.00 0.00 C ATOM 745 CE LYS X 55 9.065 -15.376 8.765 1.00 0.00 C ATOM 746 NZ LYS X 55 9.273 -13.919 8.928 1.00 0.00 N ATOM 0 H LYS X 55 7.092 -13.380 4.353 1.00 0.00 H new ATOM 0 HA LYS X 55 8.167 -15.992 3.671 1.00 0.00 H new ATOM 0 HB2 LYS X 55 6.197 -14.935 5.772 1.00 0.00 H new ATOM 0 HB3 LYS X 55 6.609 -16.632 5.636 1.00 0.00 H new ATOM 0 HG2 LYS X 55 9.034 -16.046 6.031 1.00 0.00 H new ATOM 0 HG3 LYS X 55 8.573 -14.368 6.241 1.00 0.00 H new ATOM 0 HD2 LYS X 55 7.030 -15.063 8.123 1.00 0.00 H new ATOM 0 HD3 LYS X 55 7.588 -16.714 7.940 1.00 0.00 H new ATOM 0 HE2 LYS X 55 8.881 -15.830 9.739 1.00 0.00 H new ATOM 0 HE3 LYS X 55 9.971 -15.832 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS X 55 10.098 -13.752 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS X 55 9.439 -13.486 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS X 55 8.429 -13.494 9.362 1.00 0.00 H new ATOM 760 N GLN X 56 5.204 -15.166 2.616 1.00 0.00 N ATOM 761 CA GLN X 56 3.977 -15.623 1.965 1.00 0.00 C ATOM 762 C GLN X 56 3.510 -14.639 0.882 1.00 0.00 C ATOM 763 O GLN X 56 3.742 -14.895 -0.292 1.00 0.00 O ATOM 764 CB GLN X 56 2.896 -15.844 3.040 1.00 0.00 C ATOM 765 CG GLN X 56 2.893 -17.264 3.635 1.00 0.00 C ATOM 766 CD GLN X 56 1.705 -17.529 4.559 1.00 0.00 C ATOM 767 OE1 GLN X 56 0.872 -16.679 4.831 1.00 0.00 O ATOM 768 NE2 GLN X 56 1.583 -18.727 5.091 1.00 0.00 N ATOM 0 H GLN X 56 5.295 -14.150 2.645 1.00 0.00 H new ATOM 0 HA GLN X 56 4.171 -16.566 1.455 1.00 0.00 H new ATOM 0 HB2 GLN X 56 3.044 -15.123 3.844 1.00 0.00 H new ATOM 0 HB3 GLN X 56 1.917 -15.640 2.605 1.00 0.00 H new ATOM 0 HG2 GLN X 56 2.882 -17.991 2.823 1.00 0.00 H new ATOM 0 HG3 GLN X 56 3.818 -17.420 4.190 1.00 0.00 H new ATOM 0 HE21 GLN X 56 2.268 -19.452 4.877 1.00 0.00 H new ATOM 0 HE22 GLN X 56 0.804 -18.930 5.717 1.00 0.00 H new ATOM 777 N VAL X 57 2.855 -13.539 1.268 1.00 0.00 N ATOM 778 CA VAL X 57 2.364 -12.468 0.384 1.00 0.00 C ATOM 779 C VAL X 57 3.115 -11.179 0.713 1.00 0.00 C ATOM 780 O VAL X 57 3.545 -10.983 1.847 1.00 0.00 O ATOM 781 CB VAL X 57 0.829 -12.271 0.459 1.00 0.00 C ATOM 782 CG1 VAL X 57 0.098 -13.524 -0.050 1.00 0.00 C ATOM 783 CG2 VAL X 57 0.331 -11.919 1.869 1.00 0.00 C ATOM 0 H VAL X 57 2.641 -13.360 2.249 1.00 0.00 H new ATOM 0 HA VAL X 57 2.562 -12.759 -0.648 1.00 0.00 H new ATOM 0 HB VAL X 57 0.601 -11.420 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL X 57 -0.979 -13.367 0.010 1.00 0.00 H new ATOM 0 HG12 VAL X 57 0.379 -13.714 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL X 57 0.374 -14.381 0.564 1.00 0.00 H new ATOM 0 HG21 VAL X 57 -0.752 -11.795 1.852 1.00 0.00 H new ATOM 0 HG22 VAL X 57 0.593 -12.722 2.558 1.00 0.00 H new ATOM 0 HG23 VAL X 57 0.798 -10.991 2.199 1.00 0.00 H new ATOM 793 N SER X 58 3.314 -10.337 -0.298 1.00 0.00 N ATOM 794 CA SER X 58 4.223 -9.186 -0.260 1.00 0.00 C ATOM 795 C SER X 58 3.581 -8.033 -1.054 1.00 0.00 C ATOM 796 O SER X 58 2.552 -7.521 -0.619 1.00 0.00 O ATOM 797 CB SER X 58 5.587 -9.664 -0.774 1.00 0.00 C ATOM 798 OG SER X 58 6.563 -8.648 -0.771 1.00 0.00 O ATOM 0 H SER X 58 2.835 -10.436 -1.193 1.00 0.00 H new ATOM 0 HA SER X 58 4.391 -8.789 0.741 1.00 0.00 H new ATOM 0 HB2 SER X 58 5.932 -10.493 -0.156 1.00 0.00 H new ATOM 0 HB3 SER X 58 5.473 -10.048 -1.788 1.00 0.00 H new ATOM 0 HG SER X 58 6.676 -8.300 -1.680 1.00 0.00 H new ATOM 804 N GLU X 59 4.077 -7.680 -2.242 1.00 0.00 N ATOM 805 CA GLU X 59 3.479 -6.665 -3.131 1.00 0.00 C ATOM 806 C GLU X 59 1.991 -6.936 -3.434 1.00 0.00 C ATOM 807 O GLU X 59 1.184 -6.012 -3.550 1.00 0.00 O ATOM 808 CB GLU X 59 4.223 -6.611 -4.476 1.00 0.00 C ATOM 809 CG GLU X 59 5.750 -6.706 -4.406 1.00 0.00 C ATOM 810 CD GLU X 59 6.231 -8.143 -4.292 1.00 0.00 C ATOM 811 OE1 GLU X 59 5.964 -8.956 -5.202 1.00 0.00 O ATOM 812 OE2 GLU X 59 6.899 -8.490 -3.293 1.00 0.00 O ATOM 0 H GLU X 59 4.924 -8.098 -2.627 1.00 0.00 H new ATOM 0 HA GLU X 59 3.565 -5.719 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU X 59 3.857 -7.424 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU X 59 3.960 -5.679 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU X 59 6.182 -6.250 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU X 59 6.109 -6.135 -3.549 1.00 0.00 H new ATOM 819 N ILE X 60 1.631 -8.224 -3.517 1.00 0.00 N ATOM 820 CA ILE X 60 0.260 -8.743 -3.672 1.00 0.00 C ATOM 821 C ILE X 60 -0.722 -7.981 -2.784 1.00 0.00 C ATOM 822 O ILE X 60 -1.608 -7.349 -3.342 1.00 0.00 O ATOM 823 CB ILE X 60 0.209 -10.266 -3.406 1.00 0.00 C ATOM 824 CG1 ILE X 60 1.292 -11.077 -4.158 1.00 0.00 C ATOM 825 CG2 ILE X 60 -1.190 -10.827 -3.717 1.00 0.00 C ATOM 826 CD1 ILE X 60 1.303 -10.901 -5.683 1.00 0.00 C ATOM 0 H ILE X 60 2.322 -8.973 -3.476 1.00 0.00 H new ATOM 0 HA ILE X 60 -0.046 -8.582 -4.706 1.00 0.00 H new ATOM 0 HB ILE X 60 0.427 -10.385 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE X 60 2.270 -10.794 -3.769 1.00 0.00 H new ATOM 0 HG13 ILE X 60 1.153 -12.134 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE X 60 -1.203 -11.900 -3.523 1.00 0.00 H new ATOM 0 HG22 ILE X 60 -1.928 -10.335 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE X 60 -1.431 -10.645 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE X 60 2.097 -11.510 -6.114 1.00 0.00 H new ATOM 0 HD12 ILE X 60 0.343 -11.214 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE X 60 1.477 -9.853 -5.927 1.00 0.00 H new ATOM 838 N THR X 61 -0.499 -7.946 -1.462 1.00 0.00 N ATOM 839 CA THR X 61 -1.254 -7.221 -0.412 1.00 0.00 C ATOM 840 C THR X 61 -1.658 -5.804 -0.806 1.00 0.00 C ATOM 841 O THR X 61 -2.745 -5.326 -0.481 1.00 0.00 O ATOM 842 CB THR X 61 -0.377 -7.152 0.859 1.00 0.00 C ATOM 843 OG1 THR X 61 0.578 -8.184 0.942 1.00 0.00 O ATOM 844 CG2 THR X 61 -1.211 -7.310 2.112 1.00 0.00 C ATOM 0 H THR X 61 0.280 -8.467 -1.058 1.00 0.00 H new ATOM 0 HA THR X 61 -2.179 -7.773 -0.248 1.00 0.00 H new ATOM 0 HB THR X 61 0.109 -6.179 0.788 1.00 0.00 H new ATOM 0 HG1 THR X 61 1.347 -7.964 0.376 1.00 0.00 H new ATOM 0 HG21 THR X 61 -0.565 -7.257 2.988 1.00 0.00 H new ATOM 0 HG22 THR X 61 -1.952 -6.512 2.159 1.00 0.00 H new ATOM 0 HG23 THR X 61 -1.718 -8.275 2.093 1.00 0.00 H new ATOM 852 N ILE X 62 -0.771 -5.116 -1.516 1.00 0.00 N ATOM 853 CA ILE X 62 -0.935 -3.724 -1.931 1.00 0.00 C ATOM 854 C ILE X 62 -1.577 -3.639 -3.317 1.00 0.00 C ATOM 855 O ILE X 62 -2.350 -2.721 -3.570 1.00 0.00 O ATOM 856 CB ILE X 62 0.418 -2.973 -1.901 1.00 0.00 C ATOM 857 CG1 ILE X 62 1.535 -3.662 -1.077 1.00 0.00 C ATOM 858 CG2 ILE X 62 0.136 -1.559 -1.360 1.00 0.00 C ATOM 859 CD1 ILE X 62 2.889 -2.992 -1.265 1.00 0.00 C ATOM 0 H ILE X 62 0.110 -5.523 -1.829 1.00 0.00 H new ATOM 0 HA ILE X 62 -1.604 -3.239 -1.220 1.00 0.00 H new ATOM 0 HB ILE X 62 0.814 -2.959 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE X 62 1.267 -3.645 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE X 62 1.607 -4.709 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE X 62 1.066 -0.992 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE X 62 -0.571 -1.052 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE X 62 -0.287 -1.630 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE X 62 3.638 -3.511 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE X 62 3.172 -3.033 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE X 62 2.828 -1.952 -0.946 1.00 0.00 H new ATOM 871 N GLN X 63 -1.317 -4.623 -4.179 1.00 0.00 N ATOM 872 CA GLN X 63 -1.982 -4.797 -5.463 1.00 0.00 C ATOM 873 C GLN X 63 -3.468 -5.103 -5.303 1.00 0.00 C ATOM 874 O GLN X 63 -4.274 -4.399 -5.908 1.00 0.00 O ATOM 875 CB GLN X 63 -1.251 -5.856 -6.280 1.00 0.00 C ATOM 876 CG GLN X 63 -1.693 -5.857 -7.749 1.00 0.00 C ATOM 877 CD GLN X 63 -0.840 -6.799 -8.590 1.00 0.00 C ATOM 878 OE1 GLN X 63 -1.230 -7.899 -8.938 1.00 0.00 O ATOM 879 NE2 GLN X 63 0.363 -6.414 -8.960 1.00 0.00 N ATOM 0 H GLN X 63 -0.616 -5.340 -3.994 1.00 0.00 H new ATOM 0 HA GLN X 63 -1.936 -3.855 -6.010 1.00 0.00 H new ATOM 0 HB2 GLN X 63 -0.177 -5.678 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN X 63 -1.434 -6.839 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN X 63 -2.739 -6.156 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN X 63 -1.624 -4.846 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN X 63 0.713 -5.497 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN X 63 0.945 -7.032 -9.525 1.00 0.00 H new ATOM 888 N GLU X 64 -3.824 -6.071 -4.448 1.00 0.00 N ATOM 889 CA GLU X 64 -5.224 -6.329 -4.055 1.00 0.00 C ATOM 890 C GLU X 64 -5.862 -5.021 -3.583 1.00 0.00 C ATOM 891 O GLU X 64 -6.953 -4.649 -4.007 1.00 0.00 O ATOM 892 CB GLU X 64 -5.440 -7.403 -2.943 1.00 0.00 C ATOM 893 CG GLU X 64 -4.273 -8.286 -2.498 1.00 0.00 C ATOM 894 CD GLU X 64 -4.680 -9.381 -1.504 1.00 0.00 C ATOM 895 OE1 GLU X 64 -5.645 -10.113 -1.808 1.00 0.00 O ATOM 896 OE2 GLU X 64 -4.014 -9.480 -0.446 1.00 0.00 O ATOM 0 H GLU X 64 -3.153 -6.700 -4.007 1.00 0.00 H new ATOM 0 HA GLU X 64 -5.691 -6.735 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU X 64 -5.810 -6.885 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU X 64 -6.237 -8.065 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU X 64 -3.824 -8.751 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU X 64 -3.506 -7.659 -2.042 1.00 0.00 H new ATOM 903 N ARG X 65 -5.169 -4.294 -2.703 1.00 0.00 N ATOM 904 CA ARG X 65 -5.738 -3.144 -2.015 1.00 0.00 C ATOM 905 C ARG X 65 -5.909 -1.906 -2.887 1.00 0.00 C ATOM 906 O ARG X 65 -6.930 -1.228 -2.786 1.00 0.00 O ATOM 907 CB ARG X 65 -4.871 -2.874 -0.785 1.00 0.00 C ATOM 908 CG ARG X 65 -5.294 -1.745 0.164 1.00 0.00 C ATOM 909 CD ARG X 65 -6.780 -1.393 0.332 1.00 0.00 C ATOM 910 NE ARG X 65 -7.724 -2.519 0.228 1.00 0.00 N ATOM 911 CZ ARG X 65 -9.047 -2.404 0.282 1.00 0.00 C ATOM 912 NH1 ARG X 65 -9.612 -1.300 0.719 1.00 0.00 N ATOM 913 NH2 ARG X 65 -9.832 -3.390 -0.110 1.00 0.00 N ATOM 0 H ARG X 65 -4.200 -4.490 -2.451 1.00 0.00 H new ATOM 0 HA ARG X 65 -6.761 -3.385 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG X 65 -4.819 -3.795 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG X 65 -3.860 -2.658 -1.131 1.00 0.00 H new ATOM 0 HG2 ARG X 65 -4.906 -1.991 1.153 1.00 0.00 H new ATOM 0 HG3 ARG X 65 -4.782 -0.840 -0.162 1.00 0.00 H new ATOM 0 HD2 ARG X 65 -6.914 -0.921 1.305 1.00 0.00 H new ATOM 0 HD3 ARG X 65 -7.045 -0.651 -0.421 1.00 0.00 H new ATOM 0 HE ARG X 65 -7.335 -3.454 0.106 1.00 0.00 H new ATOM 0 HH11 ARG X 65 -9.034 -0.517 1.022 1.00 0.00 H new ATOM 0 HH12 ARG X 65 -10.629 -1.227 0.754 1.00 0.00 H new ATOM 0 HH21 ARG X 65 -9.425 -4.257 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG X 65 -10.845 -3.285 -0.062 1.00 0.00 H new ATOM 927 N ILE X 66 -4.914 -1.578 -3.701 1.00 0.00 N ATOM 928 CA ILE X 66 -4.980 -0.452 -4.648 1.00 0.00 C ATOM 929 C ILE X 66 -5.949 -0.751 -5.803 1.00 0.00 C ATOM 930 O ILE X 66 -6.777 0.106 -6.109 1.00 0.00 O ATOM 931 CB ILE X 66 -3.559 -0.040 -5.108 1.00 0.00 C ATOM 932 CG1 ILE X 66 -2.725 0.411 -3.885 1.00 0.00 C ATOM 933 CG2 ILE X 66 -3.646 1.126 -6.110 1.00 0.00 C ATOM 934 CD1 ILE X 66 -1.241 0.662 -4.162 1.00 0.00 C ATOM 0 H ILE X 66 -4.029 -2.084 -3.730 1.00 0.00 H new ATOM 0 HA ILE X 66 -5.396 0.418 -4.139 1.00 0.00 H new ATOM 0 HB ILE X 66 -3.083 -0.897 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE X 66 -3.163 1.326 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE X 66 -2.809 -0.349 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE X 66 -2.642 1.409 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE X 66 -4.228 0.817 -6.978 1.00 0.00 H new ATOM 0 HG23 ILE X 66 -4.130 1.979 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE X 66 -0.747 0.973 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE X 66 -0.779 -0.254 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE X 66 -1.138 1.446 -4.912 1.00 0.00 H new ATOM 946 N ALA X 67 -5.929 -1.960 -6.384 1.00 0.00 N ATOM 947 CA ALA X 67 -6.853 -2.331 -7.461 1.00 0.00 C ATOM 948 C ALA X 67 -8.310 -2.462 -6.981 1.00 0.00 C ATOM 949 O ALA X 67 -9.221 -2.060 -7.701 1.00 0.00 O ATOM 950 CB ALA X 67 -6.367 -3.627 -8.122 1.00 0.00 C ATOM 0 H ALA X 67 -5.278 -2.700 -6.122 1.00 0.00 H new ATOM 0 HA ALA X 67 -6.854 -1.524 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA X 67 -7.052 -3.906 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA X 67 -5.370 -3.473 -8.534 1.00 0.00 H new ATOM 0 HB3 ALA X 67 -6.334 -4.424 -7.379 1.00 0.00 H new ATOM 956 N ALA X 68 -8.555 -2.936 -5.750 1.00 0.00 N ATOM 957 CA ALA X 68 -9.894 -2.981 -5.134 1.00 0.00 C ATOM 958 C ALA X 68 -10.512 -1.598 -4.839 1.00 0.00 C ATOM 959 O ALA X 68 -11.614 -1.532 -4.293 1.00 0.00 O ATOM 960 CB ALA X 68 -9.839 -3.839 -3.861 1.00 0.00 C ATOM 0 H ALA X 68 -7.821 -3.304 -5.145 1.00 0.00 H new ATOM 0 HA ALA X 68 -10.559 -3.432 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA X 68 -10.827 -3.874 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA X 68 -9.521 -4.850 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA X 68 -9.129 -3.403 -3.158 1.00 0.00 H new ATOM 966 N LEU X 69 -9.815 -0.502 -5.157 1.00 0.00 N ATOM 967 CA LEU X 69 -10.325 0.868 -5.070 1.00 0.00 C ATOM 968 C LEU X 69 -10.400 1.568 -6.441 1.00 0.00 C ATOM 969 O LEU X 69 -10.807 2.728 -6.482 1.00 0.00 O ATOM 970 CB LEU X 69 -9.421 1.645 -4.099 1.00 0.00 C ATOM 971 CG LEU X 69 -9.415 1.130 -2.651 1.00 0.00 C ATOM 972 CD1 LEU X 69 -8.330 1.901 -1.895 1.00 0.00 C ATOM 973 CD2 LEU X 69 -10.769 1.317 -1.948 1.00 0.00 C ATOM 0 H LEU X 69 -8.852 -0.546 -5.492 1.00 0.00 H new ATOM 0 HA LEU X 69 -11.351 0.840 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU X 69 -8.400 1.620 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU X 69 -9.734 2.689 -4.094 1.00 0.00 H new ATOM 0 HG LEU X 69 -9.219 0.058 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU X 69 -8.296 1.561 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU X 69 -7.363 1.725 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU X 69 -8.557 2.967 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU X 69 -10.706 0.935 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU X 69 -11.023 2.377 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU X 69 -11.540 0.772 -2.492 1.00 0.00 H new ATOM 985 N GLY X 70 -10.012 0.898 -7.535 1.00 0.00 N ATOM 986 CA GLY X 70 -10.013 1.451 -8.898 1.00 0.00 C ATOM 987 C GLY X 70 -8.754 2.242 -9.270 1.00 0.00 C ATOM 988 O GLY X 70 -8.730 2.877 -10.322 1.00 0.00 O ATOM 0 H GLY X 70 -9.681 -0.066 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY X 70 -10.134 0.632 -9.607 1.00 0.00 H new ATOM 0 HA3 GLY X 70 -10.881 2.101 -9.011 1.00 0.00 H new ATOM 992 N TYR X 71 -7.716 2.229 -8.428 1.00 0.00 N ATOM 993 CA TYR X 71 -6.473 2.973 -8.646 1.00 0.00 C ATOM 994 C TYR X 71 -5.339 2.091 -9.208 1.00 0.00 C ATOM 995 O TYR X 71 -5.434 0.864 -9.292 1.00 0.00 O ATOM 996 CB TYR X 71 -6.083 3.637 -7.324 1.00 0.00 C ATOM 997 CG TYR X 71 -7.034 4.741 -6.912 1.00 0.00 C ATOM 998 CD1 TYR X 71 -6.891 6.033 -7.444 1.00 0.00 C ATOM 999 CD2 TYR X 71 -8.069 4.479 -6.001 1.00 0.00 C ATOM 1000 CE1 TYR X 71 -7.755 7.066 -7.032 1.00 0.00 C ATOM 1001 CE2 TYR X 71 -8.932 5.504 -5.576 1.00 0.00 C ATOM 1002 CZ TYR X 71 -8.768 6.809 -6.083 1.00 0.00 C ATOM 1003 OH TYR X 71 -9.572 7.819 -5.651 1.00 0.00 O ATOM 0 H TYR X 71 -7.717 1.692 -7.561 1.00 0.00 H new ATOM 0 HA TYR X 71 -6.640 3.733 -9.409 1.00 0.00 H new ATOM 0 HB2 TYR X 71 -6.052 2.881 -6.540 1.00 0.00 H new ATOM 0 HB3 TYR X 71 -5.077 4.046 -7.413 1.00 0.00 H new ATOM 0 HD1 TYR X 71 -6.117 6.235 -8.170 1.00 0.00 H new ATOM 0 HD2 TYR X 71 -8.204 3.477 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR X 71 -7.642 8.058 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR X 71 -9.717 5.293 -4.865 1.00 0.00 H new ATOM 0 HH TYR X 71 -9.441 7.953 -4.689 1.00 0.00 H new ATOM 1013 N THR X 72 -4.239 2.747 -9.592 1.00 0.00 N ATOM 1014 CA THR X 72 -3.016 2.182 -10.155 1.00 0.00 C ATOM 1015 C THR X 72 -1.844 2.363 -9.197 1.00 0.00 C ATOM 1016 O THR X 72 -1.803 3.320 -8.423 1.00 0.00 O ATOM 1017 CB THR X 72 -2.714 2.884 -11.482 1.00 0.00 C ATOM 1018 OG1 THR X 72 -3.051 4.252 -11.419 1.00 0.00 O ATOM 1019 CG2 THR X 72 -3.508 2.255 -12.626 1.00 0.00 C ATOM 0 H THR X 72 -4.180 3.762 -9.510 1.00 0.00 H new ATOM 0 HA THR X 72 -3.158 1.114 -10.318 1.00 0.00 H new ATOM 0 HB THR X 72 -1.645 2.772 -11.664 1.00 0.00 H new ATOM 0 HG1 THR X 72 -2.848 4.679 -12.277 1.00 0.00 H new ATOM 0 HG21 THR X 72 -3.276 2.772 -13.557 1.00 0.00 H new ATOM 0 HG22 THR X 72 -3.241 1.202 -12.719 1.00 0.00 H new ATOM 0 HG23 THR X 72 -4.575 2.342 -12.419 1.00 0.00 H new ATOM 1027 N LEU X 73 -0.871 1.452 -9.292 1.00 0.00 N ATOM 1028 CA LEU X 73 0.360 1.409 -8.495 1.00 0.00 C ATOM 1029 C LEU X 73 1.588 1.115 -9.366 1.00 0.00 C ATOM 1030 O LEU X 73 1.484 0.441 -10.391 1.00 0.00 O ATOM 1031 CB LEU X 73 0.231 0.371 -7.355 1.00 0.00 C ATOM 1032 CG LEU X 73 0.454 -1.118 -7.713 1.00 0.00 C ATOM 1033 CD1 LEU X 73 0.474 -1.979 -6.442 1.00 0.00 C ATOM 1034 CD2 LEU X 73 -0.616 -1.679 -8.664 1.00 0.00 C ATOM 0 H LEU X 73 -0.923 0.684 -9.962 1.00 0.00 H new ATOM 0 HA LEU X 73 0.504 2.395 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU X 73 0.943 0.639 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU X 73 -0.766 0.467 -6.924 1.00 0.00 H new ATOM 0 HG LEU X 73 1.415 -1.160 -8.225 1.00 0.00 H new ATOM 0 HD11 LEU X 73 0.632 -3.023 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU X 73 1.282 -1.647 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU X 73 -0.478 -1.879 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU X 73 -0.402 -2.727 -8.875 1.00 0.00 H new ATOM 0 HD22 LEU X 73 -1.597 -1.596 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU X 73 -0.609 -1.112 -9.595 1.00 0.00 H new ATOM 1046 N ALA X 74 2.760 1.555 -8.914 1.00 0.00 N ATOM 1047 CA ALA X 74 4.054 1.222 -9.505 1.00 0.00 C ATOM 1048 C ALA X 74 5.101 0.998 -8.400 1.00 0.00 C ATOM 1049 O ALA X 74 5.820 1.920 -8.006 1.00 0.00 O ATOM 1050 CB ALA X 74 4.428 2.325 -10.508 1.00 0.00 C ATOM 0 H ALA X 74 2.838 2.170 -8.104 1.00 0.00 H new ATOM 0 HA ALA X 74 4.009 0.283 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA X 74 5.392 2.094 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA X 74 3.667 2.383 -11.286 1.00 0.00 H new ATOM 0 HB3 ALA X 74 4.490 3.282 -9.990 1.00 0.00 H new ATOM 1056 N GLU X 75 5.147 -0.218 -7.847 1.00 0.00 N ATOM 1057 CA GLU X 75 6.168 -0.611 -6.871 1.00 0.00 C ATOM 1058 C GLU X 75 7.475 -0.994 -7.585 1.00 0.00 C ATOM 1059 O GLU X 75 7.443 -1.859 -8.469 1.00 0.00 O ATOM 1060 CB GLU X 75 5.697 -1.773 -5.977 1.00 0.00 C ATOM 1061 CG GLU X 75 6.641 -1.930 -4.775 1.00 0.00 C ATOM 1062 CD GLU X 75 6.498 -3.273 -4.074 1.00 0.00 C ATOM 1063 OE1 GLU X 75 5.364 -3.622 -3.702 1.00 0.00 O ATOM 1064 OE2 GLU X 75 7.545 -3.938 -3.890 1.00 0.00 O ATOM 0 H GLU X 75 4.478 -0.957 -8.063 1.00 0.00 H new ATOM 0 HA GLU X 75 6.346 0.250 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU X 75 4.681 -1.586 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU X 75 5.672 -2.698 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU X 75 7.671 -1.811 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU X 75 6.445 -1.131 -4.060 1.00 0.00 H new ATOM 1071 N PRO X 76 8.626 -0.418 -7.185 1.00 0.00 N ATOM 1072 CA PRO X 76 9.933 -0.836 -7.652 1.00 0.00 C ATOM 1073 C PRO X 76 10.369 -2.101 -6.895 1.00 0.00 C ATOM 1074 O PRO X 76 11.361 -2.088 -6.167 1.00 0.00 O ATOM 1075 CB PRO X 76 10.836 0.381 -7.410 1.00 0.00 C ATOM 1076 CG PRO X 76 10.272 0.962 -6.115 1.00 0.00 C ATOM 1077 CD PRO X 76 8.773 0.695 -6.252 1.00 0.00 C ATOM 0 HA PRO X 76 9.965 -1.116 -8.705 1.00 0.00 H new ATOM 0 HB2 PRO X 76 11.882 0.095 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO X 76 10.783 1.095 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO X 76 10.692 0.474 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO X 76 10.487 2.027 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO X 76 8.334 0.449 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO X 76 8.255 1.580 -6.621 1.00 0.00 H new TER 1085 PRO X 76 END