USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1198 hydrogens (0 hets) HEADER SIGNALING PROTEIN 02-APR-07 2PEA TITLE NMR BASED STRUCTURE OF THE CLOSED CONFORMATION OF LYS48- TITLE 2 LINKED DI-UBIQUITIN USING EXPERIMENTAL GLOBAL ROTATIONAL TITLE 3 DIFFUSION TENSOR FROM NMR RELAXATION MEASUREMENTS COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: UBIQUITIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS UBIQUITIN, LYS48-LINKED DI-UBIQUITIN, POLYUBIQUITIN, KEYWDS 2 SIGNALING PROTEIN EXPDTA SOLUTION NMR AUTHOR Y.RYABOV,D.FUSHMAN REVDAT 2 24-FEB-09 2PEA 1 VERSN REVDAT 1 10-JUL-07 2PEA 0 JRNL AUTH Y.RYABOV,D.FUSHMAN JRNL TITL STRUCTURAL ASSEMBLY OF MULTIDOMAIN PROTEINS AND JRNL TITL 2 PROTEIN COMPLEXES GUIDED BY THE OVERALL ROTATIONAL JRNL TITL 3 DIFFUSION TENSOR. JRNL REF J.AM.CHEM.SOC. V. 129 7894 2007 JRNL REFN ISSN 0002-7863 JRNL PMID 17550252 JRNL DOI 10.1021/JA071185D REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.RYABOV,C.GERAGHTY,A.VARSHNEY,D.FUSHMAN REMARK 1 TITL AN EFFICIENT COMPUTATIONAL METHOD FOR PREDICTING REMARK 1 TITL 2 ROTATIONAL DIFFUSION TENSORS OF GLOBULAR PROTEINS REMARK 1 TITL 3 USING AN ELLIPSOID REPRESENTATION. REMARK 1 REF J.AM.CHEM.SOC. V. 128 15432 2006 REMARK 1 REFN ISSN 0002-7863 REMARK 1 PMID 17132010 REMARK 1 DOI 10.1021/JA062715T REMARK 1 REFERENCE 2 REMARK 1 AUTH Y.RYABOV,D.FUSHMAN REMARK 1 TITL A MODEL OF INTERDOMAIN MOBILITY IN A MULTIDOMAIN REMARK 1 TITL 2 PROTEIN REMARK 1 REF J.AM.CHEM.SOC. V. 129 3315 2007 REMARK 1 REFN ISSN 0002-7863 REMARK 1 PMID 17319663 REMARK 1 DOI 10.1021/JA067667R REMARK 1 REFERENCE 3 REMARK 1 AUTH R.VARADAN,O.WALKER,C.PICKART,D.FUSHMAN REMARK 1 TITL STRUCTURAL PROPERTIES OF POLYUBIQUITIN CHAINS IN REMARK 1 TITL 2 SOLUTION REMARK 1 REF J.MOL.BIOL. V. 324 637 2002 REMARK 1 REFN ISSN 0022-2836 REMARK 1 PMID 12460567 REMARK 1 DOI 10.1016/S0022-2836(02)01198-1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ELM REMARK 3 AUTHORS : Y.RYABOV, D.FUSHMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WAS DETERMINED WITH REMARK 3 PROGRAM ELM USING COMPLETE ROTATIONAL DIFFUSION TENSOR OF DI- REMARK 3 UBIQUITIN AS EXPERIMENTAL RESTRAINT FOR BOTH ORIENTATION AND REMARK 3 POSITIONING OF THE INDIVIDUAL UBIQUITIN DOMAINS WITHIN THE REMARK 3 MOLECULE. UBIQUITIN DOMAINS WHERE ORIENTED BY A RIGID BODY REMARK 3 ROTATION USING EXPERIMENTALLY DERIVED PRINCIPAL AXES FRAME OF REMARK 3 THE DIFFUSION TENSOR (SEE REFERENCE 2). THE RELATIVE DOMAIN REMARK 3 POSITIONS IN DI-UBIQUITIN WERE DETERMINED BY A RIGID BODY REMARK 3 TRANSLATION USING ALL COMPONENTS OF THE EXPERIMENTALLY DERIVED REMARK 3 ROTATIONAL DIFFUSION TENSOR AS RESTRAINTS. FOR EACH UBIQUITIN REMARK 3 DOMAIN THE STRUCTURE OF THE FIRST CONFORMER OF PDB ENTRY 1D3Z REMARK 3 WAS ASSUMED. THE DEPOSITED CONFORMATION REPRESENTS ONE OF THE REMARK 3 TWO EXPERIMENTALLY DETECTABLE CONFORMATIONS OF DI-UBIQUITIN AT REMARK 3 PH 6.8. THE OCCUPATION PROBABILITY OF THIS CONFORMATION IS REMARK 3 APPROXIMATELY 90%. CHAIN A CORRESPONDS TO UBIQUITIN DOMAIN REMARK 3 THAT HAS A FREE C-TERMINUS IN DI-UBIQUITIN. CHAIN B REMARK 3 CORRESPONDS TO UBIQUITIN DOMAIN THAT IN DI-UBIQUITIN IS LINKED REMARK 3 VIA AN ISOPEPTIDE BOND BETWEEN ITS C- TERMINAL GLY76 AND LYS48 REMARK 3 OF CHAIN A. THE ISOPEPTIDE BOND WAS PRESENT IN THE DI- REMARK 3 UBIQUITIN MOLECULE IN THIS STUDY. HOWEVER, BECAUSE THIS REMARK 3 STRUCTURE WAS OBTAINED BY A RIGID BODY ROTATION AND REMARK 3 TRANSLATION AND NO CONSTRAINTS REPRESENTING THE INTERDOMAIN REMARK 3 LINKAGE WERE INCLUDED, THE ISOPEPTIDE LINKAGE IS NOT PRESENT REMARK 3 IN THE STRUCTURE. FLEXIBLE C-TERMINI OF BOTH UBIQUTIN DOMAINS REMARK 3 (RESIDUES 73-76)WERE EXCLUDED FROM THE NMR RATA ANALYSIS AND REMARK 3 THEREFORE ARE NOT PRESENT IN THIS STRUCTURE. REMARK 4 REMARK 4 2PEA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-MAY-07. REMARK 100 THE RCSB ID CODE IS RCSB042281. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.0 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 20MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : DI-UBIQUITIN, 90% WATER/10% REMARK 210 D20 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N T1, 15N T2, HETERONUCLEAR REMARK 210 NOE, HSQC, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ELM REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 LEU A 73 REMARK 465 ARG A 74 REMARK 465 GLY A 75 REMARK 465 GLY A 76 REMARK 465 LEU B 73 REMARK 465 ARG B 74 REMARK 465 GLY B 75 REMARK 465 GLY B 76 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 O LEU A 8 CG HIS B 68 1.06 REMARK 500 O LEU A 8 ND1 HIS B 68 1.21 REMARK 500 O LEU A 8 CD2 HIS B 68 1.73 REMARK 500 CD1 LEU A 8 CG1 ILE B 44 1.78 REMARK 500 O LEU A 8 CE1 HIS B 68 1.88 REMARK 500 NH1 ARG A 42 NH2 ARG B 42 2.04 REMARK 500 CA THR A 9 CE1 HIS B 68 2.14 REMARK 500 O LEU A 8 NE2 HIS B 68 2.16 REMARK 500 O LEU A 8 CB HIS B 68 2.17 REMARK 500 CD1 LEU A 8 CB ILE B 44 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 54 0.15 SIDE_CHAIN REMARK 500 ARG A 72 0.25 SIDE_CHAIN REMARK 500 ARG B 54 0.15 SIDE_CHAIN REMARK 500 ARG B 72 0.25 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D3Z RELATED DB: PDB REMARK 900 UBIQUITIN REMARK 900 RELATED ID: 1AAR RELATED DB: PDB REMARK 900 DI-UBIQUITIN REMARK 900 RELATED ID: 2BGF RELATED DB: PDB REMARK 900 DI-UBIQUITIN REMARK 900 RELATED ID: 2PE9 RELATED DB: PDB REMARK 900 DI-UBIQUITIN DBREF 2PEA A 1 76 UNP P62988 UBIQ_HUMAN 1 76 DBREF 2PEA B 1 76 UNP P62988 UBIQ_HUMAN 1 76 SEQRES 1 A 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 A 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 A 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 A 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 A 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 A 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY SEQRES 1 B 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 B 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 B 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 B 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 B 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 B 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY HELIX 1 1 THR A 22 GLY A 35 1 14 HELIX 2 2 PRO A 37 ASP A 39 5 3 HELIX 3 3 LEU A 56 ASN A 60 5 5 HELIX 4 4 THR B 22 GLY B 35 1 14 HELIX 5 5 PRO B 37 ASP B 39 5 3 HELIX 6 6 LEU B 56 ASN B 60 5 5 SHEET 1 A 5 THR A 12 GLU A 16 0 SHEET 2 A 5 GLN A 2 LYS A 6 -1 N VAL A 5 O ILE A 13 SHEET 3 A 5 THR A 66 LEU A 71 1 O LEU A 67 N PHE A 4 SHEET 4 A 5 GLN A 41 PHE A 45 -1 N ILE A 44 O HIS A 68 SHEET 5 A 5 LYS A 48 GLN A 49 -1 O LYS A 48 N PHE A 45 SHEET 1 B 5 THR B 12 GLU B 16 0 SHEET 2 B 5 GLN B 2 LYS B 6 -1 N VAL B 5 O ILE B 13 SHEET 3 B 5 THR B 66 LEU B 71 1 O LEU B 67 N PHE B 4 SHEET 4 B 5 GLN B 41 PHE B 45 -1 N ILE B 44 O HIS B 68 SHEET 5 B 5 LYS B 48 GLN B 49 -1 O LYS B 48 N PHE B 45 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: B 55 THR OG1 : rot 124:sc= 0.15 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.142 USER MOD Set 2.1: B 22 THR OG1 : rot -146:sc= -2.18! USER MOD Set 2.2: B 25 ASN : amide:sc= -2.55! C(o=-4.7!,f=-10!) USER MOD Set 3.1: B 6 LYS NZ :NH3+ 157:sc= -0.162 (180deg=-0.887) USER MOD Set 3.2: B 12 THR OG1 : rot 180:sc=-0.000109 USER MOD Set 4.1: B 7 THR OG1 : rot 127:sc= 0.465 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.122 USER MOD Set 5.1: A 55 THR OG1 : rot 124:sc= 0.152 USER MOD Set 5.2: A 57 SER OG : rot 180:sc= 0.148 USER MOD Set 6.1: A 22 THR OG1 : rot -144:sc= -2.24! USER MOD Set 6.2: A 25 ASN : amide:sc= -2.46! C(o=-4.7!,f=-11!) USER MOD Set 7.1: A 7 THR OG1 : rot 126:sc= 0.453 USER MOD Set 7.2: A 9 THR OG1 : rot 180:sc= 0.124 USER MOD Set 8.1: A 6 LYS NZ :NH3+ 148:sc= -0.139 (180deg=-0.993) USER MOD Set 8.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0112 (180deg=-0.166) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.76 (180deg=0.067) USER MOD Single : A 2 GLN : amide:sc= -3.96! C(o=-4!,f=-7.8!) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.0679 (180deg=-0.579) USER MOD Single : A 14 THR OG1 : rot -66:sc= 1.57 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= -0.101 (180deg=-1.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1 K(o=-1,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0.00199 (180deg=0.000763) USER MOD Single : A 40 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.2) USER MOD Single : A 41 GLN : amide:sc= -1.86 K(o=-1.9,f=-8.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 72:sc= 1.02 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : B 1 MET CE :methyl -166:sc= -0.0114 (180deg=-0.173) USER MOD Single : B 1 MET N :NH3+ 150:sc= 0.916 (180deg=0.000191) USER MOD Single : B 2 GLN : amide:sc= -4.03! C(o=-4!,f=-7.7!) USER MOD Single : B 11 LYS NZ :NH3+ 158:sc= -0.0897 (180deg=-0.613) USER MOD Single : B 14 THR OG1 : rot -66:sc= 1.57 USER MOD Single : B 20 SER OG : rot 180:sc= 0.00983 USER MOD Single : B 27 LYS NZ :NH3+ -127:sc= -0.114 (180deg=-1.26) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -1.04 K(o=-1,f=-3.1!) USER MOD Single : B 33 LYS NZ :NH3+ 178:sc= 0.00166 (180deg=0.000434) USER MOD Single : B 40 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.4) USER MOD Single : B 41 GLN : amide:sc= -1.79 K(o=-1.8,f=-8.7!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 TYR OH : rot 165:sc= 0 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 63:sc= 0.988 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -44.5! C(o=-44!,f=-48!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.494 2.291 7.456 1.00 9.67 N ATOM 2 CA MET A 1 -21.720 1.062 7.797 1.00 10.38 C ATOM 3 C MET A 1 -20.238 1.403 7.892 1.00 9.62 C ATOM 4 O MET A 1 -19.774 2.364 7.278 1.00 9.62 O ATOM 5 CB MET A 1 -21.946 0.002 6.716 1.00 13.77 C ATOM 6 CG MET A 1 -21.545 0.559 5.351 1.00 16.29 C ATOM 7 SD MET A 1 -21.955 -0.653 4.069 1.00 17.17 S ATOM 8 CE MET A 1 -20.556 -0.318 2.973 1.00 16.11 C ATOM 0 H1 MET A 1 -23.366 2.024 6.956 1.00 9.67 H new ATOM 0 H2 MET A 1 -22.737 2.802 8.329 1.00 9.67 H new ATOM 0 H3 MET A 1 -21.919 2.905 6.845 1.00 9.67 H new ATOM 0 HA MET A 1 -22.057 0.671 8.757 1.00 10.38 H new ATOM 0 HB2 MET A 1 -21.361 -0.890 6.941 1.00 13.77 H new ATOM 0 HB3 MET A 1 -22.994 -0.299 6.702 1.00 13.77 H new ATOM 0 HG2 MET A 1 -22.066 1.498 5.161 1.00 16.29 H new ATOM 0 HG3 MET A 1 -20.477 0.778 5.334 1.00 16.29 H new ATOM 0 HE1 MET A 1 -20.746 -0.761 1.995 1.00 16.11 H new ATOM 0 HE2 MET A 1 -20.428 0.759 2.865 1.00 16.11 H new ATOM 0 HE3 MET A 1 -19.650 -0.750 3.397 1.00 16.11 H new ATOM 20 N GLN A 2 -19.496 0.608 8.658 1.00 9.27 N ATOM 21 CA GLN A 2 -18.060 0.833 8.820 1.00 9.07 C ATOM 22 C GLN A 2 -17.277 -0.038 7.848 1.00 8.72 C ATOM 23 O GLN A 2 -17.614 -1.200 7.611 1.00 8.22 O ATOM 24 CB GLN A 2 -17.617 0.481 10.243 1.00 14.46 C ATOM 25 CG GLN A 2 -18.168 1.500 11.240 1.00 17.01 C ATOM 26 CD GLN A 2 -17.487 2.847 11.041 1.00 20.10 C ATOM 27 OE1 GLN A 2 -16.409 2.917 10.455 1.00 21.89 O ATOM 28 NE2 GLN A 2 -18.045 3.924 11.517 1.00 19.49 N ATOM 0 H GLN A 2 -19.861 -0.193 9.174 1.00 9.27 H new ATOM 0 HA GLN A 2 -17.864 1.887 8.622 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -17.967 -0.518 10.503 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -16.529 0.461 10.297 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -19.245 1.605 11.107 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -18.005 1.148 12.259 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -18.940 3.863 12.003 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -17.587 4.828 11.404 1.00 19.49 H new ATOM 37 N ILE A 3 -16.195 0.539 7.323 1.00 5.87 N ATOM 38 CA ILE A 3 -15.300 -0.158 6.405 1.00 5.07 C ATOM 39 C ILE A 3 -13.863 0.053 6.883 1.00 4.01 C ATOM 40 O ILE A 3 -13.605 0.932 7.709 1.00 4.61 O ATOM 41 CB ILE A 3 -15.490 0.335 4.965 1.00 6.55 C ATOM 42 CG1 ILE A 3 -15.163 1.828 4.851 1.00 4.72 C ATOM 43 CG2 ILE A 3 -16.945 0.106 4.541 1.00 5.58 C ATOM 44 CD1 ILE A 3 -15.074 2.226 3.375 1.00 10.83 C ATOM 0 H ILE A 3 -15.917 1.500 7.523 1.00 5.87 H new ATOM 0 HA ILE A 3 -15.530 -1.223 6.402 1.00 5.07 H new ATOM 0 HB ILE A 3 -14.814 -0.221 4.316 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -15.932 2.418 5.351 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -14.220 2.043 5.353 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -17.085 0.455 3.518 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -17.177 -0.958 4.597 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -17.609 0.658 5.207 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -14.841 3.288 3.298 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -14.289 1.646 2.889 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -16.028 2.027 2.886 1.00 10.83 H new ATOM 56 N PHE A 4 -12.927 -0.746 6.356 1.00 4.55 N ATOM 57 CA PHE A 4 -11.513 -0.621 6.743 1.00 4.68 C ATOM 58 C PHE A 4 -10.622 -0.404 5.523 1.00 5.30 C ATOM 59 O PHE A 4 -10.803 -1.042 4.497 1.00 5.58 O ATOM 60 CB PHE A 4 -11.055 -1.889 7.465 1.00 4.83 C ATOM 61 CG PHE A 4 -11.867 -2.090 8.724 1.00 7.97 C ATOM 62 CD1 PHE A 4 -11.551 -1.366 9.880 1.00 6.69 C ATOM 63 CD2 PHE A 4 -12.928 -3.003 8.740 1.00 8.34 C ATOM 64 CE1 PHE A 4 -12.294 -1.556 11.051 1.00 9.10 C ATOM 65 CE2 PHE A 4 -13.673 -3.192 9.912 1.00 10.61 C ATOM 66 CZ PHE A 4 -13.355 -2.469 11.067 1.00 8.90 C ATOM 0 H PHE A 4 -13.117 -1.477 5.670 1.00 4.55 H new ATOM 0 HA PHE A 4 -11.426 0.242 7.403 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -11.168 -2.752 6.808 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -9.996 -1.813 7.714 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -10.733 -0.660 9.868 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -13.173 -3.562 7.849 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -12.049 -0.998 11.943 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -14.492 -3.896 9.924 1.00 10.61 H new ATOM 0 HZ PHE A 4 -13.928 -2.615 11.971 1.00 8.90 H new ATOM 76 N VAL A 5 -9.626 0.476 5.666 1.00 4.44 N ATOM 77 CA VAL A 5 -8.665 0.735 4.586 1.00 3.87 C ATOM 78 C VAL A 5 -7.259 0.461 5.110 1.00 4.93 C ATOM 79 O VAL A 5 -6.834 1.056 6.096 1.00 6.84 O ATOM 80 CB VAL A 5 -8.750 2.186 4.102 1.00 2.99 C ATOM 81 CG1 VAL A 5 -7.810 2.371 2.901 1.00 5.28 C ATOM 82 CG2 VAL A 5 -10.182 2.507 3.659 1.00 9.13 C ATOM 0 H VAL A 5 -9.463 1.019 6.514 1.00 4.44 H new ATOM 0 HA VAL A 5 -8.899 0.083 3.744 1.00 3.87 H new ATOM 0 HB VAL A 5 -8.462 2.852 4.916 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -7.865 3.402 2.551 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -6.787 2.144 3.201 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -8.110 1.698 2.097 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -10.234 3.540 3.316 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -10.469 1.840 2.846 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -10.862 2.369 4.499 1.00 9.13 H new ATOM 92 N LYS A 6 -6.529 -0.425 4.437 1.00 6.04 N ATOM 93 CA LYS A 6 -5.155 -0.745 4.845 1.00 6.12 C ATOM 94 C LYS A 6 -4.149 0.008 3.975 1.00 6.57 C ATOM 95 O LYS A 6 -4.351 0.169 2.771 1.00 5.76 O ATOM 96 CB LYS A 6 -4.901 -2.262 4.750 1.00 7.45 C ATOM 97 CG LYS A 6 -5.279 -2.934 6.076 1.00 11.12 C ATOM 98 CD LYS A 6 -5.026 -4.432 5.973 1.00 14.54 C ATOM 99 CE LYS A 6 -5.386 -5.106 7.297 1.00 18.84 C ATOM 100 NZ LYS A 6 -6.778 -4.737 7.679 1.00 20.55 N ATOM 0 H LYS A 6 -6.857 -0.932 3.615 1.00 6.04 H new ATOM 0 HA LYS A 6 -5.027 -0.433 5.881 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -5.487 -2.688 3.935 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.852 -2.451 4.521 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -4.693 -2.510 6.891 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -6.328 -2.746 6.306 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -5.620 -4.856 5.164 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -3.980 -4.618 5.731 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -5.298 -6.188 7.202 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -4.689 -4.797 8.076 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -7.216 -5.525 8.197 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -6.759 -3.892 8.285 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -7.332 -4.536 6.822 1.00 20.55 H new ATOM 114 N THR A 7 -3.054 0.463 4.602 1.00 7.41 N ATOM 115 CA THR A 7 -2.008 1.194 3.886 1.00 7.48 C ATOM 116 C THR A 7 -0.809 0.292 3.595 1.00 8.75 C ATOM 117 O THR A 7 -0.661 -0.799 4.148 1.00 8.58 O ATOM 118 CB THR A 7 -1.534 2.396 4.701 1.00 9.61 C ATOM 119 OG1 THR A 7 -0.783 1.954 5.820 1.00 11.78 O ATOM 120 CG2 THR A 7 -2.725 3.232 5.175 1.00 9.17 C ATOM 0 H THR A 7 -2.874 0.337 5.598 1.00 7.41 H new ATOM 0 HA THR A 7 -2.438 1.537 2.945 1.00 7.48 H new ATOM 0 HB THR A 7 -0.904 3.018 4.065 1.00 9.61 H new ATOM 0 HG1 THR A 7 0.090 2.399 5.825 1.00 11.78 H new ATOM 0 HG21 THR A 7 -2.365 4.083 5.753 1.00 9.17 H new ATOM 0 HG22 THR A 7 -3.284 3.591 4.311 1.00 9.17 H new ATOM 0 HG23 THR A 7 -3.375 2.618 5.799 1.00 9.17 H new ATOM 128 N LEU A 8 0.023 0.793 2.719 1.00 9.84 N ATOM 129 CA LEU A 8 1.230 0.069 2.317 1.00 14.15 C ATOM 130 C LEU A 8 2.186 -0.105 3.493 1.00 17.37 C ATOM 131 O LEU A 8 3.073 -0.958 3.450 1.00 17.01 O ATOM 132 CB LEU A 8 1.959 0.827 1.207 1.00 16.63 C ATOM 133 CG LEU A 8 1.041 0.991 -0.003 1.00 18.88 C ATOM 134 CD1 LEU A 8 1.750 1.845 -1.060 1.00 19.31 C ATOM 135 CD2 LEU A 8 0.687 -0.384 -0.602 1.00 18.59 C ATOM 0 H LEU A 8 -0.101 1.697 2.263 1.00 9.84 H new ATOM 0 HA LEU A 8 0.918 -0.912 1.959 1.00 14.15 H new ATOM 0 HB2 LEU A 8 2.274 1.805 1.570 1.00 16.63 H new ATOM 0 HB3 LEU A 8 2.861 0.288 0.919 1.00 16.63 H new ATOM 0 HG LEU A 8 0.120 1.480 0.313 1.00 18.88 H new ATOM 0 HD11 LEU A 8 1.100 1.966 -1.926 1.00 19.31 H new ATOM 0 HD12 LEU A 8 1.982 2.824 -0.641 1.00 19.31 H new ATOM 0 HD13 LEU A 8 2.674 1.353 -1.365 1.00 19.31 H new ATOM 0 HD21 LEU A 8 0.032 -0.248 -1.463 1.00 18.59 H new ATOM 0 HD22 LEU A 8 1.600 -0.890 -0.916 1.00 18.59 H new ATOM 0 HD23 LEU A 8 0.178 -0.988 0.149 1.00 18.59 H new ATOM 147 N THR A 9 2.028 0.715 4.538 1.00 18.33 N ATOM 148 CA THR A 9 2.920 0.632 5.700 1.00 19.24 C ATOM 149 C THR A 9 2.359 -0.273 6.794 1.00 19.48 C ATOM 150 O THR A 9 3.004 -0.487 7.820 1.00 23.14 O ATOM 151 CB THR A 9 3.244 2.023 6.248 1.00 18.97 C ATOM 152 OG1 THR A 9 2.064 2.597 6.792 1.00 20.24 O ATOM 153 CG2 THR A 9 3.772 2.914 5.123 1.00 19.70 C ATOM 0 H THR A 9 1.305 1.431 4.604 1.00 18.33 H new ATOM 0 HA THR A 9 3.849 0.178 5.356 1.00 19.24 H new ATOM 0 HB THR A 9 4.005 1.938 7.024 1.00 18.97 H new ATOM 0 HG1 THR A 9 2.267 3.488 7.146 1.00 20.24 H new ATOM 0 HG21 THR A 9 4.001 3.903 5.519 1.00 19.70 H new ATOM 0 HG22 THR A 9 4.676 2.473 4.704 1.00 19.70 H new ATOM 0 HG23 THR A 9 3.016 3.002 4.343 1.00 19.70 H new ATOM 161 N GLY A 10 1.178 -0.844 6.553 1.00 19.43 N ATOM 162 CA GLY A 10 0.576 -1.774 7.512 1.00 18.74 C ATOM 163 C GLY A 10 -0.406 -1.112 8.473 1.00 17.62 C ATOM 164 O GLY A 10 -0.799 -1.703 9.479 1.00 19.74 O ATOM 0 H GLY A 10 0.624 -0.682 5.712 1.00 19.43 H new ATOM 0 HA2 GLY A 10 0.060 -2.563 6.965 1.00 18.74 H new ATOM 0 HA3 GLY A 10 1.368 -2.252 8.088 1.00 18.74 H new ATOM 168 N LYS A 11 -0.804 0.116 8.151 1.00 13.56 N ATOM 169 CA LYS A 11 -1.751 0.832 9.009 1.00 11.91 C ATOM 170 C LYS A 11 -3.180 0.535 8.559 1.00 10.18 C ATOM 171 O LYS A 11 -3.427 0.410 7.364 1.00 9.10 O ATOM 172 CB LYS A 11 -1.524 2.342 8.922 1.00 13.43 C ATOM 173 CG LYS A 11 -2.341 3.059 9.998 1.00 16.69 C ATOM 174 CD LYS A 11 -2.099 4.566 9.895 1.00 17.92 C ATOM 175 CE LYS A 11 -2.910 5.286 10.971 1.00 20.81 C ATOM 176 NZ LYS A 11 -2.449 4.841 12.316 1.00 21.93 N ATOM 0 H LYS A 11 -0.496 0.628 7.324 1.00 13.56 H new ATOM 0 HA LYS A 11 -1.597 0.499 10.035 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -0.465 2.566 9.049 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -1.811 2.704 7.935 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -3.401 2.840 9.872 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -2.056 2.700 10.987 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -1.038 4.784 10.017 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -2.386 4.925 8.907 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -2.790 6.365 10.872 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -3.971 5.070 10.848 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -2.704 5.558 13.025 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -2.904 3.938 12.558 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -1.417 4.717 12.305 1.00 21.93 H new ATOM 190 N THR A 12 -4.126 0.450 9.501 1.00 9.63 N ATOM 191 CA THR A 12 -5.533 0.197 9.135 1.00 9.85 C ATOM 192 C THR A 12 -6.386 1.389 9.577 1.00 11.66 C ATOM 193 O THR A 12 -6.343 1.786 10.741 1.00 12.33 O ATOM 194 CB THR A 12 -6.042 -1.085 9.801 1.00 10.85 C ATOM 195 OG1 THR A 12 -5.248 -2.183 9.371 1.00 10.91 O ATOM 196 CG2 THR A 12 -7.496 -1.321 9.378 1.00 9.63 C ATOM 0 H THR A 12 -3.954 0.549 10.502 1.00 9.63 H new ATOM 0 HA THR A 12 -5.604 0.071 8.055 1.00 9.85 H new ATOM 0 HB THR A 12 -5.980 -0.989 10.885 1.00 10.85 H new ATOM 0 HG1 THR A 12 -5.569 -3.005 9.796 1.00 10.91 H new ATOM 0 HG21 THR A 12 -7.868 -2.232 9.847 1.00 9.63 H new ATOM 0 HG22 THR A 12 -8.108 -0.475 9.692 1.00 9.63 H new ATOM 0 HG23 THR A 12 -7.547 -1.424 8.294 1.00 9.63 H new ATOM 204 N ILE A 13 -7.180 1.944 8.653 1.00 10.42 N ATOM 205 CA ILE A 13 -8.058 3.078 8.976 1.00 11.84 C ATOM 206 C ILE A 13 -9.520 2.636 8.920 1.00 10.55 C ATOM 207 O ILE A 13 -9.918 1.908 8.014 1.00 11.92 O ATOM 208 CB ILE A 13 -7.878 4.245 7.984 1.00 14.86 C ATOM 209 CG1 ILE A 13 -6.399 4.363 7.605 1.00 14.87 C ATOM 210 CG2 ILE A 13 -8.351 5.554 8.625 1.00 17.08 C ATOM 211 CD1 ILE A 13 -6.167 5.622 6.765 1.00 16.46 C ATOM 0 H ILE A 13 -7.234 1.631 7.684 1.00 10.42 H new ATOM 0 HA ILE A 13 -7.788 3.416 9.977 1.00 11.84 H new ATOM 0 HB ILE A 13 -8.471 4.053 7.090 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -5.787 4.400 8.506 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -6.088 3.481 7.045 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -8.221 6.373 7.918 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -9.405 5.469 8.891 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -7.765 5.752 9.522 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.112 5.695 6.502 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -6.765 5.568 5.855 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -6.459 6.501 7.339 1.00 16.46 H new ATOM 223 N THR A 14 -10.323 3.104 9.882 1.00 9.39 N ATOM 224 CA THR A 14 -11.751 2.772 9.913 1.00 9.63 C ATOM 225 C THR A 14 -12.546 3.989 9.457 1.00 11.20 C ATOM 226 O THR A 14 -12.298 5.103 9.921 1.00 11.63 O ATOM 227 CB THR A 14 -12.173 2.377 11.332 1.00 10.38 C ATOM 228 OG1 THR A 14 -11.407 1.260 11.759 1.00 16.30 O ATOM 229 CG2 THR A 14 -13.656 2.007 11.342 1.00 11.66 C ATOM 0 H THR A 14 -10.012 3.708 10.643 1.00 9.39 H new ATOM 0 HA THR A 14 -11.945 1.930 9.248 1.00 9.63 H new ATOM 0 HB THR A 14 -12.004 3.217 12.006 1.00 10.38 H new ATOM 0 HG1 THR A 14 -11.631 0.480 11.209 1.00 16.30 H new ATOM 0 HG21 THR A 14 -13.954 1.726 12.352 1.00 11.66 H new ATOM 0 HG22 THR A 14 -14.247 2.862 11.014 1.00 11.66 H new ATOM 0 HG23 THR A 14 -13.826 1.168 10.667 1.00 11.66 H new ATOM 237 N LEU A 15 -13.493 3.785 8.538 1.00 8.29 N ATOM 238 CA LEU A 15 -14.304 4.895 8.018 1.00 9.03 C ATOM 239 C LEU A 15 -15.788 4.576 8.141 1.00 8.59 C ATOM 240 O LEU A 15 -16.191 3.420 8.024 1.00 7.79 O ATOM 241 CB LEU A 15 -13.972 5.127 6.540 1.00 11.08 C ATOM 242 CG LEU A 15 -12.477 5.432 6.370 1.00 15.79 C ATOM 243 CD1 LEU A 15 -12.133 5.422 4.877 1.00 15.88 C ATOM 244 CD2 LEU A 15 -12.141 6.809 6.961 1.00 15.27 C ATOM 0 H LEU A 15 -13.718 2.873 8.140 1.00 8.29 H new ATOM 0 HA LEU A 15 -14.078 5.788 8.600 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -14.238 4.245 5.958 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -14.565 5.955 6.153 1.00 11.08 H new ATOM 0 HG LEU A 15 -11.896 4.674 6.895 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -11.073 5.638 4.746 1.00 15.88 H new ATOM 0 HD12 LEU A 15 -12.358 4.441 4.458 1.00 15.88 H new ATOM 0 HD13 LEU A 15 -12.724 6.180 4.362 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -11.077 7.010 6.833 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -12.720 7.576 6.448 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -12.386 6.819 8.023 1.00 15.27 H new ATOM 256 N GLU A 16 -16.610 5.616 8.304 1.00 11.04 N ATOM 257 CA GLU A 16 -18.063 5.432 8.354 1.00 11.50 C ATOM 258 C GLU A 16 -18.592 5.819 6.980 1.00 10.13 C ATOM 259 O GLU A 16 -18.357 6.934 6.513 1.00 9.83 O ATOM 260 CB GLU A 16 -18.698 6.307 9.441 1.00 17.22 C ATOM 261 CG GLU A 16 -20.211 6.079 9.467 1.00 23.33 C ATOM 262 CD GLU A 16 -20.850 6.947 10.545 1.00 26.99 C ATOM 263 OE1 GLU A 16 -20.156 7.794 11.085 1.00 28.86 O ATOM 264 OE2 GLU A 16 -22.022 6.750 10.819 1.00 28.90 O ATOM 0 H GLU A 16 -16.300 6.583 8.403 1.00 11.04 H new ATOM 0 HA GLU A 16 -18.312 4.400 8.601 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -18.267 6.066 10.413 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -18.482 7.358 9.248 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -20.640 6.318 8.494 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -20.426 5.028 9.660 1.00 23.33 H new ATOM 271 N VAL A 17 -19.281 4.893 6.316 1.00 8.99 N ATOM 272 CA VAL A 17 -19.804 5.154 4.974 1.00 8.85 C ATOM 273 C VAL A 17 -21.197 4.572 4.786 1.00 8.04 C ATOM 274 O VAL A 17 -21.664 3.751 5.573 1.00 8.99 O ATOM 275 CB VAL A 17 -18.878 4.523 3.934 1.00 9.78 C ATOM 276 CG1 VAL A 17 -17.489 5.159 4.011 1.00 12.05 C ATOM 277 CG2 VAL A 17 -18.773 3.022 4.210 1.00 10.54 C ATOM 0 H VAL A 17 -19.489 3.963 6.680 1.00 8.99 H new ATOM 0 HA VAL A 17 -19.857 6.235 4.849 1.00 8.85 H new ATOM 0 HB VAL A 17 -19.284 4.690 2.936 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -16.838 4.702 3.266 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -17.567 6.229 3.817 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -17.071 5.000 5.005 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -18.114 2.562 3.473 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -18.367 2.863 5.209 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -19.763 2.570 4.144 1.00 10.54 H new ATOM 287 N GLU A 18 -21.824 4.986 3.688 1.00 7.29 N ATOM 288 CA GLU A 18 -23.147 4.494 3.308 1.00 7.08 C ATOM 289 C GLU A 18 -22.998 3.797 1.952 1.00 6.45 C ATOM 290 O GLU A 18 -22.112 4.170 1.184 1.00 5.28 O ATOM 291 CB GLU A 18 -24.133 5.661 3.193 1.00 10.28 C ATOM 292 CG GLU A 18 -24.380 6.270 4.577 1.00 12.65 C ATOM 293 CD GLU A 18 -25.336 5.389 5.373 1.00 14.15 C ATOM 294 OE1 GLU A 18 -26.533 5.504 5.161 1.00 14.33 O ATOM 295 OE2 GLU A 18 -24.859 4.612 6.183 1.00 18.17 O ATOM 0 H GLU A 18 -21.432 5.669 3.039 1.00 7.29 H new ATOM 0 HA GLU A 18 -23.532 3.804 4.059 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -23.736 6.419 2.518 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -25.073 5.314 2.765 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -23.436 6.372 5.112 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -24.797 7.272 4.473 1.00 12.65 H new ATOM 302 N PRO A 19 -23.794 2.804 1.610 1.00 7.24 N ATOM 303 CA PRO A 19 -23.628 2.129 0.300 1.00 7.07 C ATOM 304 C PRO A 19 -23.751 3.091 -0.879 1.00 6.65 C ATOM 305 O PRO A 19 -23.235 2.822 -1.966 1.00 6.37 O ATOM 306 CB PRO A 19 -24.722 1.041 0.253 1.00 7.61 C ATOM 307 CG PRO A 19 -25.126 0.861 1.689 1.00 8.16 C ATOM 308 CD PRO A 19 -24.903 2.216 2.380 1.00 7.49 C ATOM 0 HA PRO A 19 -22.627 1.706 0.210 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -25.566 1.352 -0.362 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -24.342 0.112 -0.173 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -26.170 0.555 1.763 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -24.531 0.081 2.164 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -25.796 2.840 2.342 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -24.644 2.095 3.432 1.00 7.49 H new ATOM 316 N SER A 20 -24.451 4.205 -0.664 1.00 6.80 N ATOM 317 CA SER A 20 -24.654 5.194 -1.720 1.00 6.28 C ATOM 318 C SER A 20 -23.494 6.179 -1.813 1.00 8.45 C ATOM 319 O SER A 20 -23.488 7.042 -2.692 1.00 7.26 O ATOM 320 CB SER A 20 -25.952 5.962 -1.481 1.00 8.57 C ATOM 321 OG SER A 20 -25.979 6.441 -0.143 1.00 11.13 O ATOM 0 H SER A 20 -24.885 4.444 0.228 1.00 6.80 H new ATOM 0 HA SER A 20 -24.711 4.650 -2.663 1.00 6.28 H new ATOM 0 HB2 SER A 20 -26.028 6.796 -2.179 1.00 8.57 H new ATOM 0 HB3 SER A 20 -26.809 5.314 -1.664 1.00 8.57 H new ATOM 0 HG SER A 20 -26.811 6.936 0.011 1.00 11.13 H new ATOM 327 N ASP A 21 -22.498 6.053 -0.938 1.00 7.50 N ATOM 328 CA ASP A 21 -21.351 6.948 -1.000 1.00 7.70 C ATOM 329 C ASP A 21 -20.551 6.597 -2.240 1.00 7.08 C ATOM 330 O ASP A 21 -20.396 5.425 -2.607 1.00 8.11 O ATOM 331 CB ASP A 21 -20.480 6.786 0.252 1.00 11.00 C ATOM 332 CG ASP A 21 -21.111 7.509 1.440 1.00 15.32 C ATOM 333 OD1 ASP A 21 -21.939 8.375 1.214 1.00 18.03 O ATOM 334 OD2 ASP A 21 -20.755 7.183 2.560 1.00 14.36 O ATOM 0 H ASP A 21 -22.463 5.356 -0.195 1.00 7.50 H new ATOM 0 HA ASP A 21 -21.686 7.984 -1.045 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -20.360 5.728 0.485 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -19.484 7.185 0.063 1.00 11.00 H new ATOM 339 N THR A 22 -20.013 7.648 -2.861 1.00 5.37 N ATOM 340 CA THR A 22 -19.187 7.494 -4.042 1.00 6.01 C ATOM 341 C THR A 22 -17.743 7.241 -3.635 1.00 8.01 C ATOM 342 O THR A 22 -17.318 7.611 -2.547 1.00 8.11 O ATOM 343 CB THR A 22 -19.224 8.748 -4.910 1.00 8.92 C ATOM 344 OG1 THR A 22 -18.702 9.846 -4.176 1.00 10.22 O ATOM 345 CG2 THR A 22 -20.651 9.063 -5.362 1.00 9.65 C ATOM 0 H THR A 22 -20.140 8.614 -2.559 1.00 5.37 H new ATOM 0 HA THR A 22 -19.580 6.651 -4.610 1.00 6.01 H new ATOM 0 HB THR A 22 -18.616 8.572 -5.798 1.00 8.92 H new ATOM 0 HG1 THR A 22 -19.193 10.661 -4.412 1.00 10.22 H new ATOM 0 HG21 THR A 22 -20.647 9.962 -5.979 1.00 9.65 H new ATOM 0 HG22 THR A 22 -21.042 8.227 -5.941 1.00 9.65 H new ATOM 0 HG23 THR A 22 -21.282 9.226 -4.488 1.00 9.65 H new ATOM 353 N ILE A 23 -16.993 6.635 -4.534 1.00 8.32 N ATOM 354 CA ILE A 23 -15.581 6.368 -4.289 1.00 9.92 C ATOM 355 C ILE A 23 -14.841 7.695 -4.101 1.00 10.01 C ATOM 356 O ILE A 23 -13.982 7.809 -3.230 1.00 8.71 O ATOM 357 CB ILE A 23 -15.012 5.561 -5.457 1.00 10.78 C ATOM 358 CG1 ILE A 23 -15.666 4.168 -5.513 1.00 11.38 C ATOM 359 CG2 ILE A 23 -13.492 5.433 -5.328 1.00 10.90 C ATOM 360 CD1 ILE A 23 -15.469 3.401 -4.204 1.00 12.30 C ATOM 0 H ILE A 23 -17.333 6.317 -5.441 1.00 8.32 H new ATOM 0 HA ILE A 23 -15.454 5.781 -3.380 1.00 9.92 H new ATOM 0 HB ILE A 23 -15.236 6.087 -6.385 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -16.732 4.274 -5.717 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -15.239 3.598 -6.338 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -13.103 4.856 -6.167 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -13.042 6.426 -5.330 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -13.247 4.926 -4.395 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -15.944 2.423 -4.280 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -14.403 3.273 -4.014 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -15.919 3.960 -3.384 1.00 12.30 H new ATOM 372 N GLU A 24 -15.196 8.705 -4.898 1.00 9.54 N ATOM 373 CA GLU A 24 -14.570 10.022 -4.764 1.00 11.81 C ATOM 374 C GLU A 24 -14.836 10.550 -3.357 1.00 11.14 C ATOM 375 O GLU A 24 -13.971 11.173 -2.747 1.00 10.62 O ATOM 376 CB GLU A 24 -15.136 10.993 -5.805 1.00 19.24 C ATOM 377 CG GLU A 24 -14.462 12.361 -5.663 1.00 27.76 C ATOM 378 CD GLU A 24 -15.000 13.318 -6.723 1.00 32.92 C ATOM 379 OE1 GLU A 24 -15.963 12.960 -7.382 1.00 34.80 O ATOM 380 OE2 GLU A 24 -14.442 14.394 -6.858 1.00 36.51 O ATOM 0 H GLU A 24 -15.902 8.639 -5.631 1.00 9.54 H new ATOM 0 HA GLU A 24 -13.497 9.933 -4.931 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -14.973 10.600 -6.808 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -16.213 11.093 -5.674 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -14.647 12.766 -4.668 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -13.382 12.257 -5.769 1.00 27.76 H new ATOM 387 N ASN A 25 -16.038 10.296 -2.849 1.00 9.43 N ATOM 388 CA ASN A 25 -16.380 10.761 -1.506 1.00 10.96 C ATOM 389 C ASN A 25 -15.514 10.026 -0.485 1.00 9.68 C ATOM 390 O ASN A 25 -15.036 10.622 0.476 1.00 9.33 O ATOM 391 CB ASN A 25 -17.857 10.513 -1.198 1.00 16.78 C ATOM 392 CG ASN A 25 -18.723 11.446 -2.037 1.00 22.31 C ATOM 393 OD1 ASN A 25 -18.286 11.925 -3.083 1.00 25.66 O ATOM 394 ND2 ASN A 25 -19.926 11.741 -1.633 1.00 24.70 N ATOM 0 H ASN A 25 -16.776 9.784 -3.331 1.00 9.43 H new ATOM 0 HA ASN A 25 -16.196 11.834 -1.452 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -18.113 9.475 -1.411 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -18.050 10.678 -0.138 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -20.509 12.371 -2.184 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -20.285 11.342 -0.766 1.00 24.70 H new ATOM 401 N VAL A 26 -15.305 8.729 -0.712 1.00 6.52 N ATOM 402 CA VAL A 26 -14.478 7.932 0.190 1.00 5.53 C ATOM 403 C VAL A 26 -13.045 8.465 0.188 1.00 4.42 C ATOM 404 O VAL A 26 -12.435 8.609 1.248 1.00 3.40 O ATOM 405 CB VAL A 26 -14.499 6.453 -0.204 1.00 3.86 C ATOM 406 CG1 VAL A 26 -13.483 5.678 0.638 1.00 7.25 C ATOM 407 CG2 VAL A 26 -15.901 5.878 0.014 1.00 8.12 C ATOM 0 H VAL A 26 -15.692 8.214 -1.503 1.00 6.52 H new ATOM 0 HA VAL A 26 -14.888 8.015 1.196 1.00 5.53 H new ATOM 0 HB VAL A 26 -14.235 6.360 -1.257 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -13.502 4.626 0.354 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -12.485 6.082 0.467 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -13.737 5.773 1.694 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -15.910 4.825 -0.268 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -16.175 5.975 1.065 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -16.618 6.424 -0.599 1.00 8.12 H new ATOM 417 N LYS A 27 -12.508 8.781 -1.000 1.00 2.64 N ATOM 418 CA LYS A 27 -11.154 9.318 -1.098 1.00 4.14 C ATOM 419 C LYS A 27 -11.073 10.625 -0.313 1.00 5.58 C ATOM 420 O LYS A 27 -10.079 10.902 0.350 1.00 4.11 O ATOM 421 CB LYS A 27 -10.791 9.644 -2.549 1.00 3.97 C ATOM 422 CG LYS A 27 -10.624 8.378 -3.416 1.00 7.45 C ATOM 423 CD LYS A 27 -9.493 8.627 -4.439 1.00 9.02 C ATOM 424 CE LYS A 27 -9.610 7.648 -5.615 1.00 12.90 C ATOM 425 NZ LYS A 27 -9.425 6.254 -5.122 1.00 15.47 N ATOM 0 H LYS A 27 -12.989 8.674 -1.893 1.00 2.64 H new ATOM 0 HA LYS A 27 -10.470 8.566 -0.705 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -11.567 10.276 -2.981 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -9.865 10.218 -2.568 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -10.385 7.519 -2.789 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -11.556 8.147 -3.931 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -9.544 9.652 -4.805 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -8.524 8.509 -3.955 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -10.585 7.750 -6.091 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -8.860 7.880 -6.371 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -8.639 5.806 -5.635 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -9.209 6.271 -4.105 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -10.297 5.711 -5.282 1.00 15.47 H new ATOM 439 N ALA A 28 -12.129 11.428 -0.417 1.00 6.61 N ATOM 440 CA ALA A 28 -12.161 12.713 0.270 1.00 7.74 C ATOM 441 C ALA A 28 -12.092 12.509 1.778 1.00 9.17 C ATOM 442 O ALA A 28 -11.435 13.271 2.486 1.00 11.45 O ATOM 443 CB ALA A 28 -13.418 13.501 -0.110 1.00 7.68 C ATOM 0 H ALA A 28 -12.963 11.214 -0.964 1.00 6.61 H new ATOM 0 HA ALA A 28 -11.291 13.291 -0.042 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -13.421 14.457 0.414 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -13.426 13.677 -1.186 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -14.304 12.931 0.170 1.00 7.68 H new ATOM 449 N LYS A 29 -12.755 11.469 2.262 1.00 8.96 N ATOM 450 CA LYS A 29 -12.736 11.171 3.688 1.00 7.90 C ATOM 451 C LYS A 29 -11.319 10.778 4.116 1.00 6.92 C ATOM 452 O LYS A 29 -10.849 11.192 5.171 1.00 6.87 O ATOM 453 CB LYS A 29 -13.703 10.029 4.002 1.00 10.28 C ATOM 454 CG LYS A 29 -15.145 10.512 3.833 1.00 14.94 C ATOM 455 CD LYS A 29 -16.106 9.359 4.150 1.00 19.69 C ATOM 456 CE LYS A 29 -17.570 9.816 3.987 1.00 22.63 C ATOM 457 NZ LYS A 29 -18.113 10.220 5.316 1.00 24.98 N ATOM 0 H LYS A 29 -13.307 10.824 1.697 1.00 8.96 H new ATOM 0 HA LYS A 29 -13.047 12.060 4.237 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -13.512 9.185 3.339 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -13.545 9.676 5.021 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -15.339 11.355 4.497 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -15.306 10.865 2.814 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -15.905 8.518 3.487 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -15.939 9.008 5.169 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -17.626 10.652 3.289 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -18.170 9.009 3.567 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -19.100 10.529 5.208 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -18.072 9.411 5.968 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -17.546 11.003 5.700 1.00 24.98 H new ATOM 471 N ILE A 30 -10.622 10.017 3.256 1.00 4.57 N ATOM 472 CA ILE A 30 -9.237 9.617 3.526 1.00 5.58 C ATOM 473 C ILE A 30 -8.337 10.856 3.545 1.00 7.26 C ATOM 474 O ILE A 30 -7.444 10.958 4.380 1.00 9.46 O ATOM 475 CB ILE A 30 -8.758 8.592 2.492 1.00 5.36 C ATOM 476 CG1 ILE A 30 -9.510 7.275 2.753 1.00 2.94 C ATOM 477 CG2 ILE A 30 -7.240 8.383 2.639 1.00 2.78 C ATOM 478 CD1 ILE A 30 -9.061 6.186 1.775 1.00 2.00 C ATOM 0 H ILE A 30 -10.995 9.669 2.373 1.00 4.57 H new ATOM 0 HA ILE A 30 -9.186 9.139 4.505 1.00 5.58 H new ATOM 0 HB ILE A 30 -8.957 8.940 1.479 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -9.331 6.946 3.777 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -10.583 7.439 2.654 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -6.900 7.654 1.903 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.725 9.330 2.476 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -7.019 8.017 3.642 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -9.607 5.265 1.980 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -9.264 6.508 0.754 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -7.992 6.008 1.894 1.00 2.00 H new ATOM 490 N GLN A 31 -8.574 11.797 2.634 1.00 7.06 N ATOM 491 CA GLN A 31 -7.766 13.019 2.580 1.00 8.67 C ATOM 492 C GLN A 31 -7.894 13.766 3.900 1.00 10.90 C ATOM 493 O GLN A 31 -6.913 14.267 4.451 1.00 9.63 O ATOM 494 CB GLN A 31 -8.288 13.911 1.445 1.00 9.12 C ATOM 495 CG GLN A 31 -7.489 15.218 1.387 1.00 10.76 C ATOM 496 CD GLN A 31 -7.991 16.081 0.234 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.937 15.704 -0.458 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.409 17.223 -0.014 1.00 14.76 N ATOM 0 H GLN A 31 -9.309 11.741 1.929 1.00 7.06 H new ATOM 0 HA GLN A 31 -6.721 12.764 2.404 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -8.208 13.385 0.494 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -9.345 14.129 1.601 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.590 15.758 2.328 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -6.429 15.001 1.256 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.626 17.532 0.562 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.738 17.806 -0.783 1.00 14.76 H new ATOM 507 N ASP A 32 -9.115 13.848 4.376 1.00 10.93 N ATOM 508 CA ASP A 32 -9.377 14.557 5.617 1.00 14.01 C ATOM 509 C ASP A 32 -8.609 13.922 6.776 1.00 14.04 C ATOM 510 O ASP A 32 -8.104 14.622 7.654 1.00 13.39 O ATOM 511 CB ASP A 32 -10.880 14.531 5.917 1.00 18.01 C ATOM 512 CG ASP A 32 -11.185 15.313 7.193 1.00 24.33 C ATOM 513 OD1 ASP A 32 -10.274 15.515 7.979 1.00 26.29 O ATOM 514 OD2 ASP A 32 -12.329 15.702 7.364 1.00 25.17 O ATOM 0 H ASP A 32 -9.937 13.439 3.932 1.00 10.93 H new ATOM 0 HA ASP A 32 -9.043 15.589 5.505 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -11.431 14.960 5.080 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -11.217 13.500 6.026 1.00 18.01 H new ATOM 519 N LYS A 33 -8.566 12.593 6.796 1.00 14.22 N ATOM 520 CA LYS A 33 -7.906 11.865 7.881 1.00 14.00 C ATOM 521 C LYS A 33 -6.378 11.752 7.731 1.00 12.37 C ATOM 522 O LYS A 33 -5.665 11.790 8.734 1.00 12.17 O ATOM 523 CB LYS A 33 -8.470 10.444 7.971 1.00 18.62 C ATOM 524 CG LYS A 33 -10.012 10.466 8.139 1.00 24.00 C ATOM 525 CD LYS A 33 -10.437 9.474 9.230 1.00 27.61 C ATOM 526 CE LYS A 33 -11.963 9.402 9.292 1.00 27.64 C ATOM 527 NZ LYS A 33 -12.371 8.404 10.320 1.00 30.06 N ATOM 0 H LYS A 33 -8.978 11.998 6.077 1.00 14.22 H new ATOM 0 HA LYS A 33 -8.106 12.447 8.781 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -8.207 9.887 7.072 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -8.016 9.922 8.813 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -10.343 11.471 8.401 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -10.492 10.208 7.195 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -10.025 8.487 9.019 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -10.038 9.786 10.195 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -12.374 10.381 9.537 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -12.365 9.122 8.318 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -13.409 8.379 10.387 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -12.018 7.464 10.050 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -11.971 8.672 11.242 1.00 30.06 H new ATOM 541 N GLU A 34 -5.879 11.514 6.511 1.00 10.11 N ATOM 542 CA GLU A 34 -4.430 11.279 6.310 1.00 10.07 C ATOM 543 C GLU A 34 -3.658 12.382 5.566 1.00 9.32 C ATOM 544 O GLU A 34 -2.429 12.423 5.621 1.00 11.61 O ATOM 545 CB GLU A 34 -4.281 9.942 5.572 1.00 14.77 C ATOM 546 CG GLU A 34 -4.780 8.814 6.486 1.00 18.75 C ATOM 547 CD GLU A 34 -3.819 8.608 7.652 1.00 22.28 C ATOM 548 OE1 GLU A 34 -2.680 9.028 7.536 1.00 21.95 O ATOM 549 OE2 GLU A 34 -4.237 8.035 8.645 1.00 25.19 O ATOM 0 H GLU A 34 -6.439 11.478 5.659 1.00 10.11 H new ATOM 0 HA GLU A 34 -3.977 11.274 7.301 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -4.853 9.957 4.644 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -3.239 9.775 5.301 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.773 9.056 6.864 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -4.873 7.890 5.916 1.00 18.75 H new ATOM 556 N GLY A 35 -4.374 13.285 4.905 1.00 7.22 N ATOM 557 CA GLY A 35 -3.723 14.395 4.199 1.00 6.29 C ATOM 558 C GLY A 35 -3.209 14.005 2.807 1.00 6.93 C ATOM 559 O GLY A 35 -2.462 14.753 2.177 1.00 7.41 O ATOM 0 H GLY A 35 -5.392 13.276 4.840 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -4.429 15.219 4.101 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -2.889 14.760 4.799 1.00 6.29 H new ATOM 563 N ILE A 36 -3.612 12.831 2.344 1.00 5.86 N ATOM 564 CA ILE A 36 -3.185 12.343 1.029 1.00 6.07 C ATOM 565 C ILE A 36 -4.134 12.880 -0.059 1.00 6.36 C ATOM 566 O ILE A 36 -5.320 12.547 -0.039 1.00 6.18 O ATOM 567 CB ILE A 36 -3.241 10.809 1.019 1.00 7.47 C ATOM 568 CG1 ILE A 36 -2.479 10.230 2.235 1.00 8.52 C ATOM 569 CG2 ILE A 36 -2.597 10.287 -0.274 1.00 7.36 C ATOM 570 CD1 ILE A 36 -3.023 8.837 2.570 1.00 9.49 C ATOM 0 H ILE A 36 -4.230 12.198 2.851 1.00 5.86 H new ATOM 0 HA ILE A 36 -2.169 12.685 0.831 1.00 6.07 H new ATOM 0 HB ILE A 36 -4.283 10.495 1.073 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -1.413 10.171 2.014 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -2.590 10.891 3.095 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -2.635 9.198 -0.285 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -3.140 10.678 -1.134 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -1.558 10.615 -0.321 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -2.484 8.432 3.427 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -4.084 8.909 2.809 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -2.888 8.178 1.712 1.00 9.49 H new ATOM 582 N PRO A 37 -3.679 13.687 -1.007 1.00 8.65 N ATOM 583 CA PRO A 37 -4.589 14.211 -2.074 1.00 9.18 C ATOM 584 C PRO A 37 -5.251 13.070 -2.890 1.00 9.85 C ATOM 585 O PRO A 37 -4.572 12.119 -3.276 1.00 8.51 O ATOM 586 CB PRO A 37 -3.686 15.088 -2.962 1.00 11.42 C ATOM 587 CG PRO A 37 -2.470 15.377 -2.135 1.00 9.27 C ATOM 588 CD PRO A 37 -2.303 14.196 -1.174 1.00 8.33 C ATOM 0 HA PRO A 37 -5.422 14.772 -1.651 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -3.420 14.570 -3.883 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -4.193 16.009 -3.249 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -1.589 15.489 -2.767 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -2.589 16.310 -1.585 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -1.641 13.434 -1.586 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -1.874 14.511 -0.223 1.00 8.33 H new ATOM 596 N PRO A 38 -6.555 13.138 -3.154 1.00 8.71 N ATOM 597 CA PRO A 38 -7.283 12.072 -3.928 1.00 9.08 C ATOM 598 C PRO A 38 -6.603 11.668 -5.247 1.00 9.28 C ATOM 599 O PRO A 38 -6.739 10.522 -5.673 1.00 6.50 O ATOM 600 CB PRO A 38 -8.656 12.696 -4.219 1.00 10.31 C ATOM 601 CG PRO A 38 -8.877 13.683 -3.126 1.00 10.81 C ATOM 602 CD PRO A 38 -7.492 14.212 -2.736 1.00 12.00 C ATOM 0 HA PRO A 38 -7.318 11.148 -3.350 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -8.669 13.180 -5.195 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -9.439 11.938 -4.229 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -9.523 14.495 -3.460 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -9.369 13.215 -2.273 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.269 15.152 -3.241 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.426 14.402 -1.665 1.00 12.00 H new ATOM 610 N ASP A 39 -5.911 12.581 -5.909 1.00 11.20 N ATOM 611 CA ASP A 39 -5.280 12.243 -7.186 1.00 14.96 C ATOM 612 C ASP A 39 -4.084 11.309 -7.007 1.00 13.99 C ATOM 613 O ASP A 39 -3.622 10.699 -7.971 1.00 13.75 O ATOM 614 CB ASP A 39 -4.865 13.513 -7.936 1.00 24.16 C ATOM 615 CG ASP A 39 -6.100 14.260 -8.433 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.113 13.616 -8.652 1.00 35.55 O ATOM 617 OD2 ASP A 39 -6.016 15.469 -8.582 1.00 34.22 O ATOM 0 H ASP A 39 -5.770 13.542 -5.598 1.00 11.20 H new ATOM 0 HA ASP A 39 -6.021 11.709 -7.781 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -4.281 14.158 -7.279 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -4.225 13.253 -8.779 1.00 24.16 H new ATOM 622 N GLN A 40 -3.575 11.201 -5.779 1.00 11.60 N ATOM 623 CA GLN A 40 -2.418 10.337 -5.509 1.00 10.76 C ATOM 624 C GLN A 40 -2.839 9.000 -4.905 1.00 8.01 C ATOM 625 O GLN A 40 -1.993 8.179 -4.551 1.00 8.96 O ATOM 626 CB GLN A 40 -1.446 11.032 -4.553 1.00 11.14 C ATOM 627 CG GLN A 40 -0.787 12.209 -5.265 1.00 14.85 C ATOM 628 CD GLN A 40 0.241 12.866 -4.350 1.00 16.11 C ATOM 629 OE1 GLN A 40 0.089 12.846 -3.128 1.00 20.52 O ATOM 630 NE2 GLN A 40 1.286 13.447 -4.871 1.00 18.16 N ATOM 0 H GLN A 40 -3.938 11.693 -4.963 1.00 11.60 H new ATOM 0 HA GLN A 40 -1.929 10.147 -6.464 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -1.977 11.380 -3.667 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -0.687 10.327 -4.213 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -0.304 11.866 -6.180 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -1.544 12.937 -5.557 1.00 14.85 H new ATOM 0 HE21 GLN A 40 1.409 13.462 -5.883 1.00 18.16 H new ATOM 0 HE22 GLN A 40 1.980 13.886 -4.266 1.00 18.16 H new ATOM 639 N GLN A 41 -4.143 8.802 -4.751 1.00 6.52 N ATOM 640 CA GLN A 41 -4.662 7.572 -4.140 1.00 3.87 C ATOM 641 C GLN A 41 -5.340 6.624 -5.134 1.00 4.79 C ATOM 642 O GLN A 41 -6.121 7.041 -5.989 1.00 6.34 O ATOM 643 CB GLN A 41 -5.688 7.956 -3.069 1.00 4.20 C ATOM 644 CG GLN A 41 -4.982 8.517 -1.840 1.00 3.20 C ATOM 645 CD GLN A 41 -6.014 8.832 -0.762 1.00 4.89 C ATOM 646 OE1 GLN A 41 -6.660 7.928 -0.237 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.209 10.071 -0.401 1.00 7.13 N ATOM 0 H GLN A 41 -4.860 9.469 -5.037 1.00 6.52 H new ATOM 0 HA GLN A 41 -3.804 7.041 -3.726 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.382 8.696 -3.468 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.279 7.083 -2.791 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -4.256 7.797 -1.464 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -4.429 9.419 -2.104 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -5.672 10.820 -0.838 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.898 10.290 0.318 1.00 7.13 H new ATOM 656 N ARG A 42 -5.072 5.328 -4.943 1.00 5.73 N ATOM 657 CA ARG A 42 -5.684 4.261 -5.739 1.00 6.97 C ATOM 658 C ARG A 42 -6.328 3.260 -4.781 1.00 7.15 C ATOM 659 O ARG A 42 -5.660 2.738 -3.892 1.00 7.33 O ATOM 660 CB ARG A 42 -4.654 3.537 -6.607 1.00 13.23 C ATOM 661 CG ARG A 42 -4.219 4.428 -7.766 1.00 21.27 C ATOM 662 CD ARG A 42 -3.189 3.678 -8.613 1.00 26.14 C ATOM 663 NE ARG A 42 -2.750 4.503 -9.734 1.00 32.26 N ATOM 664 CZ ARG A 42 -2.227 3.954 -10.826 1.00 34.32 C ATOM 665 NH1 ARG A 42 -1.950 2.678 -10.846 1.00 35.30 N ATOM 666 NH2 ARG A 42 -1.989 4.689 -11.878 1.00 36.39 N ATOM 0 H ARG A 42 -4.424 4.990 -4.231 1.00 5.73 H new ATOM 0 HA ARG A 42 -6.424 4.704 -6.405 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -3.788 3.264 -6.004 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.080 2.610 -6.992 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.081 4.700 -8.375 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -3.791 5.356 -7.387 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -2.332 3.406 -7.997 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -3.622 2.750 -8.985 1.00 26.14 H new ATOM 0 HE ARG A 42 -2.846 5.517 -9.679 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -2.135 2.103 -10.024 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -1.549 2.256 -11.684 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -2.204 5.686 -11.863 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -1.588 4.266 -12.715 1.00 36.39 H new ATOM 680 N LEU A 43 -7.625 3.001 -4.942 1.00 4.65 N ATOM 681 CA LEU A 43 -8.342 2.069 -4.061 1.00 3.51 C ATOM 682 C LEU A 43 -8.620 0.753 -4.773 1.00 5.56 C ATOM 683 O LEU A 43 -9.129 0.727 -5.894 1.00 4.19 O ATOM 684 CB LEU A 43 -9.653 2.722 -3.602 1.00 3.74 C ATOM 685 CG LEU A 43 -9.398 3.895 -2.643 1.00 6.32 C ATOM 686 CD1 LEU A 43 -10.725 4.619 -2.399 1.00 9.55 C ATOM 687 CD2 LEU A 43 -8.853 3.379 -1.298 1.00 6.41 C ATOM 0 H LEU A 43 -8.203 3.420 -5.671 1.00 4.65 H new ATOM 0 HA LEU A 43 -7.722 1.849 -3.192 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -10.207 3.076 -4.471 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -10.277 1.977 -3.108 1.00 3.74 H new ATOM 0 HG LEU A 43 -8.665 4.571 -3.084 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -10.563 5.456 -1.720 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -11.116 4.991 -3.346 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -11.442 3.926 -1.957 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -8.677 4.222 -0.629 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -9.579 2.703 -0.847 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -7.916 2.847 -1.465 1.00 6.41 H new ATOM 699 N ILE A 44 -8.270 -0.343 -4.099 1.00 4.58 N ATOM 700 CA ILE A 44 -8.464 -1.689 -4.642 1.00 5.55 C ATOM 701 C ILE A 44 -9.316 -2.532 -3.694 1.00 5.46 C ATOM 702 O ILE A 44 -9.116 -2.526 -2.479 1.00 6.04 O ATOM 703 CB ILE A 44 -7.088 -2.374 -4.849 1.00 6.80 C ATOM 704 CG1 ILE A 44 -6.418 -1.914 -6.176 1.00 10.31 C ATOM 705 CG2 ILE A 44 -7.248 -3.911 -4.887 1.00 7.39 C ATOM 706 CD1 ILE A 44 -5.514 -0.701 -5.948 1.00 13.90 C ATOM 0 H ILE A 44 -7.848 -0.325 -3.171 1.00 4.58 H new ATOM 0 HA ILE A 44 -8.980 -1.606 -5.599 1.00 5.55 H new ATOM 0 HB ILE A 44 -6.456 -2.084 -4.010 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -5.833 -2.733 -6.594 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -7.187 -1.665 -6.908 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -6.272 -4.375 -5.033 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -7.677 -4.256 -3.946 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -7.908 -4.188 -5.709 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -5.060 -0.403 -6.893 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -6.106 0.125 -5.553 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.731 -0.960 -5.235 1.00 13.90 H new ATOM 718 N PHE A 45 -10.237 -3.291 -4.283 1.00 6.75 N ATOM 719 CA PHE A 45 -11.097 -4.190 -3.519 1.00 4.70 C ATOM 720 C PHE A 45 -11.246 -5.495 -4.285 1.00 6.34 C ATOM 721 O PHE A 45 -11.606 -5.499 -5.462 1.00 5.45 O ATOM 722 CB PHE A 45 -12.467 -3.560 -3.273 1.00 5.51 C ATOM 723 CG PHE A 45 -13.349 -4.538 -2.529 1.00 5.98 C ATOM 724 CD1 PHE A 45 -13.182 -4.724 -1.152 1.00 6.86 C ATOM 725 CD2 PHE A 45 -14.335 -5.256 -3.217 1.00 5.87 C ATOM 726 CE1 PHE A 45 -14.000 -5.628 -0.462 1.00 6.68 C ATOM 727 CE2 PHE A 45 -15.153 -6.159 -2.528 1.00 6.64 C ATOM 728 CZ PHE A 45 -14.985 -6.346 -1.151 1.00 6.84 C ATOM 0 H PHE A 45 -10.407 -3.301 -5.289 1.00 6.75 H new ATOM 0 HA PHE A 45 -10.642 -4.381 -2.547 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -12.358 -2.642 -2.696 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -12.929 -3.287 -4.222 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -12.422 -4.170 -0.621 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -14.464 -5.113 -4.280 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -13.871 -5.771 0.601 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -15.914 -6.712 -3.059 1.00 6.64 H new ATOM 0 HZ PHE A 45 -15.615 -7.044 -0.620 1.00 6.84 H new ATOM 738 N ALA A 46 -10.964 -6.599 -3.613 1.00 6.53 N ATOM 739 CA ALA A 46 -11.063 -7.911 -4.229 1.00 7.15 C ATOM 740 C ALA A 46 -10.328 -7.956 -5.570 1.00 9.00 C ATOM 741 O ALA A 46 -10.769 -8.616 -6.511 1.00 11.15 O ATOM 742 CB ALA A 46 -12.535 -8.296 -4.393 1.00 8.99 C ATOM 0 H ALA A 46 -10.664 -6.612 -2.638 1.00 6.53 H new ATOM 0 HA ALA A 46 -10.580 -8.638 -3.575 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -12.604 -9.281 -4.855 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -13.016 -8.320 -3.415 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -13.035 -7.562 -5.025 1.00 8.99 H new ATOM 748 N GLY A 47 -9.169 -7.294 -5.622 1.00 9.35 N ATOM 749 CA GLY A 47 -8.334 -7.314 -6.825 1.00 11.68 C ATOM 750 C GLY A 47 -8.753 -6.322 -7.915 1.00 11.14 C ATOM 751 O GLY A 47 -8.118 -6.283 -8.969 1.00 13.93 O ATOM 0 H GLY A 47 -8.790 -6.742 -4.852 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -7.304 -7.103 -6.538 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -8.349 -8.320 -7.244 1.00 11.68 H new ATOM 755 N LYS A 48 -9.814 -5.535 -7.698 1.00 10.47 N ATOM 756 CA LYS A 48 -10.267 -4.581 -8.727 1.00 8.82 C ATOM 757 C LYS A 48 -10.051 -3.129 -8.291 1.00 7.68 C ATOM 758 O LYS A 48 -10.311 -2.772 -7.143 1.00 6.47 O ATOM 759 CB LYS A 48 -11.761 -4.773 -8.995 1.00 9.74 C ATOM 760 CG LYS A 48 -12.067 -6.253 -9.244 1.00 14.14 C ATOM 761 CD LYS A 48 -13.566 -6.438 -9.515 1.00 16.32 C ATOM 762 CE LYS A 48 -14.381 -6.091 -8.261 1.00 20.04 C ATOM 763 NZ LYS A 48 -15.703 -6.776 -8.326 1.00 23.92 N ATOM 0 H LYS A 48 -10.367 -5.535 -6.841 1.00 10.47 H new ATOM 0 HA LYS A 48 -9.680 -4.776 -9.624 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -12.340 -4.412 -8.145 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -12.062 -4.181 -9.860 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -11.488 -6.615 -10.093 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -11.769 -6.845 -8.379 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -13.874 -5.802 -10.345 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -13.764 -7.468 -9.813 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -13.842 -6.401 -7.366 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -14.521 -5.012 -8.191 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -16.257 -6.542 -7.477 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -16.217 -6.459 -9.173 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -15.559 -7.805 -8.373 1.00 23.92 H new ATOM 777 N GLN A 49 -9.607 -2.290 -9.231 1.00 8.89 N ATOM 778 CA GLN A 49 -9.399 -0.870 -8.944 1.00 7.18 C ATOM 779 C GLN A 49 -10.762 -0.185 -8.991 1.00 8.23 C ATOM 780 O GLN A 49 -11.516 -0.354 -9.950 1.00 9.70 O ATOM 781 CB GLN A 49 -8.436 -0.282 -9.980 1.00 11.67 C ATOM 782 CG GLN A 49 -7.956 1.102 -9.532 1.00 15.82 C ATOM 783 CD GLN A 49 -6.817 1.575 -10.431 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.672 1.163 -10.251 1.00 23.23 O ATOM 785 NE2 GLN A 49 -7.065 2.423 -11.392 1.00 20.67 N ATOM 0 H GLN A 49 -9.387 -2.567 -10.188 1.00 8.89 H new ATOM 0 HA GLN A 49 -8.956 -0.720 -7.959 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -7.582 -0.946 -10.111 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -8.933 -0.207 -10.947 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -8.781 1.813 -9.572 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -7.620 1.062 -8.496 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -8.015 2.763 -11.539 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.309 2.745 -11.996 1.00 20.67 H new ATOM 794 N LEU A 50 -11.087 0.571 -7.947 1.00 6.51 N ATOM 795 CA LEU A 50 -12.378 1.255 -7.878 1.00 7.41 C ATOM 796 C LEU A 50 -12.328 2.623 -8.565 1.00 8.27 C ATOM 797 O LEU A 50 -11.365 3.374 -8.407 1.00 8.34 O ATOM 798 CB LEU A 50 -12.781 1.427 -6.412 1.00 7.13 C ATOM 799 CG LEU A 50 -12.675 0.081 -5.685 1.00 7.53 C ATOM 800 CD1 LEU A 50 -12.998 0.280 -4.202 1.00 8.14 C ATOM 801 CD2 LEU A 50 -13.660 -0.925 -6.297 1.00 9.11 C ATOM 0 H LEU A 50 -10.481 0.726 -7.142 1.00 6.51 H new ATOM 0 HA LEU A 50 -13.116 0.646 -8.401 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -12.136 2.162 -5.931 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -13.801 1.807 -6.347 1.00 7.13 H new ATOM 0 HG LEU A 50 -11.662 -0.306 -5.791 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -12.924 -0.675 -3.682 1.00 8.14 H new ATOM 0 HD12 LEU A 50 -12.291 0.986 -3.767 1.00 8.14 H new ATOM 0 HD13 LEU A 50 -14.010 0.671 -4.099 1.00 8.14 H new ATOM 0 HD21 LEU A 50 -13.578 -1.878 -5.775 1.00 9.11 H new ATOM 0 HD22 LEU A 50 -14.677 -0.544 -6.200 1.00 9.11 H new ATOM 0 HD23 LEU A 50 -13.426 -1.068 -7.352 1.00 9.11 H new ATOM 813 N GLU A 51 -13.374 2.932 -9.347 1.00 9.43 N ATOM 814 CA GLU A 51 -13.434 4.211 -10.074 1.00 11.90 C ATOM 815 C GLU A 51 -14.135 5.300 -9.260 1.00 11.49 C ATOM 816 O GLU A 51 -14.990 5.019 -8.422 1.00 9.88 O ATOM 817 CB GLU A 51 -14.137 4.029 -11.421 1.00 16.56 C ATOM 818 CG GLU A 51 -13.245 3.214 -12.357 1.00 26.06 C ATOM 819 CD GLU A 51 -13.935 3.026 -13.705 1.00 29.86 C ATOM 820 OE1 GLU A 51 -15.107 3.351 -13.797 1.00 32.13 O ATOM 821 OE2 GLU A 51 -13.281 2.559 -14.624 1.00 33.44 O ATOM 0 H GLU A 51 -14.180 2.324 -9.492 1.00 9.43 H new ATOM 0 HA GLU A 51 -12.407 4.534 -10.245 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -15.092 3.523 -11.279 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -14.354 5.001 -11.864 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -12.290 3.721 -12.496 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -13.028 2.243 -11.912 1.00 26.06 H new ATOM 828 N ASP A 52 -13.715 6.546 -9.500 1.00 12.71 N ATOM 829 CA ASP A 52 -14.252 7.694 -8.765 1.00 16.56 C ATOM 830 C ASP A 52 -15.720 8.006 -9.099 1.00 15.83 C ATOM 831 O ASP A 52 -16.394 8.689 -8.327 1.00 17.21 O ATOM 832 CB ASP A 52 -13.385 8.923 -9.039 1.00 21.05 C ATOM 833 CG ASP A 52 -12.010 8.723 -8.416 1.00 25.12 C ATOM 834 OD1 ASP A 52 -11.689 7.590 -8.100 1.00 28.37 O ATOM 835 OD2 ASP A 52 -11.300 9.703 -8.265 1.00 25.82 O ATOM 0 H ASP A 52 -13.007 6.784 -10.195 1.00 12.71 H new ATOM 0 HA ASP A 52 -14.227 7.431 -7.707 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -13.290 9.082 -10.113 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -13.857 9.814 -8.626 1.00 21.05 H new ATOM 840 N GLY A 53 -16.218 7.534 -10.240 1.00 15.00 N ATOM 841 CA GLY A 53 -17.612 7.809 -10.635 1.00 11.77 C ATOM 842 C GLY A 53 -18.588 6.699 -10.213 1.00 11.10 C ATOM 843 O GLY A 53 -19.775 6.771 -10.528 1.00 11.25 O ATOM 0 H GLY A 53 -15.692 6.966 -10.904 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -17.930 8.752 -10.191 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -17.659 7.934 -11.717 1.00 11.77 H new ATOM 847 N ARG A 54 -18.101 5.689 -9.502 1.00 8.53 N ATOM 848 CA ARG A 54 -18.975 4.585 -9.047 1.00 9.05 C ATOM 849 C ARG A 54 -19.179 4.626 -7.521 1.00 8.96 C ATOM 850 O ARG A 54 -18.457 5.328 -6.810 1.00 11.60 O ATOM 851 CB ARG A 54 -18.336 3.253 -9.425 1.00 7.97 C ATOM 852 CG ARG A 54 -18.196 3.083 -10.947 1.00 9.62 C ATOM 853 CD ARG A 54 -19.547 3.225 -11.658 1.00 12.20 C ATOM 854 NE ARG A 54 -19.459 2.682 -13.009 1.00 18.23 N ATOM 855 CZ ARG A 54 -18.946 3.395 -14.009 1.00 22.08 C ATOM 856 NH1 ARG A 54 -19.037 4.698 -13.998 1.00 25.50 N ATOM 857 NH2 ARG A 54 -18.351 2.793 -15.001 1.00 23.38 N ATOM 0 H ARG A 54 -17.123 5.600 -9.225 1.00 8.53 H new ATOM 0 HA ARG A 54 -19.946 4.697 -9.529 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -17.352 3.180 -8.962 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -18.938 2.437 -9.025 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -17.500 3.828 -11.334 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -17.770 2.104 -11.167 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -20.320 2.701 -11.096 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -19.838 4.275 -11.697 1.00 12.20 H new ATOM 0 HE ARG A 54 -19.797 1.737 -13.191 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -19.502 5.170 -13.222 1.00 25.50 H new ATOM 0 HH12 ARG A 54 -18.643 5.243 -14.765 1.00 25.50 H new ATOM 0 HH21 ARG A 54 -18.279 1.776 -15.011 1.00 23.38 H new ATOM 0 HH22 ARG A 54 -17.958 3.340 -15.767 1.00 23.38 H new ATOM 871 N THR A 55 -20.177 3.864 -7.019 1.00 9.05 N ATOM 872 CA THR A 55 -20.471 3.812 -5.571 1.00 9.03 C ATOM 873 C THR A 55 -20.044 2.480 -4.948 1.00 8.15 C ATOM 874 O THR A 55 -19.762 1.507 -5.643 1.00 5.91 O ATOM 875 CB THR A 55 -21.969 3.960 -5.288 1.00 11.15 C ATOM 876 OG1 THR A 55 -22.673 2.860 -5.847 1.00 11.95 O ATOM 877 CG2 THR A 55 -22.487 5.265 -5.896 1.00 11.71 C ATOM 0 H THR A 55 -20.788 3.281 -7.591 1.00 9.05 H new ATOM 0 HA THR A 55 -19.910 4.639 -5.136 1.00 9.03 H new ATOM 0 HB THR A 55 -22.128 3.980 -4.210 1.00 11.15 H new ATOM 0 HG1 THR A 55 -23.195 2.415 -5.147 1.00 11.95 H new ATOM 0 HG21 THR A 55 -23.553 5.364 -5.691 1.00 11.71 H new ATOM 0 HG22 THR A 55 -21.953 6.108 -5.457 1.00 11.71 H new ATOM 0 HG23 THR A 55 -22.324 5.254 -6.974 1.00 11.71 H new ATOM 885 N LEU A 56 -20.034 2.463 -3.609 1.00 6.91 N ATOM 886 CA LEU A 56 -19.681 1.250 -2.858 1.00 8.29 C ATOM 887 C LEU A 56 -20.638 0.104 -3.189 1.00 8.05 C ATOM 888 O LEU A 56 -20.203 -1.037 -3.344 1.00 10.17 O ATOM 889 CB LEU A 56 -19.750 1.502 -1.343 1.00 6.60 C ATOM 890 CG LEU A 56 -18.750 2.579 -0.909 1.00 7.73 C ATOM 891 CD1 LEU A 56 -18.993 2.906 0.568 1.00 9.85 C ATOM 892 CD2 LEU A 56 -17.312 2.073 -1.079 1.00 8.64 C ATOM 0 H LEU A 56 -20.264 3.268 -3.027 1.00 6.91 H new ATOM 0 HA LEU A 56 -18.664 0.982 -3.146 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -20.759 1.809 -1.069 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -19.543 0.575 -0.809 1.00 6.60 H new ATOM 0 HG LEU A 56 -18.887 3.467 -1.527 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -18.288 3.672 0.892 1.00 9.85 H new ATOM 0 HD12 LEU A 56 -20.011 3.272 0.697 1.00 9.85 H new ATOM 0 HD13 LEU A 56 -18.853 2.007 1.168 1.00 9.85 H new ATOM 0 HD21 LEU A 56 -16.614 2.849 -0.767 1.00 8.64 H new ATOM 0 HD22 LEU A 56 -17.164 1.184 -0.466 1.00 8.64 H new ATOM 0 HD23 LEU A 56 -17.135 1.825 -2.126 1.00 8.64 H new ATOM 904 N SER A 57 -21.944 0.390 -3.267 1.00 8.92 N ATOM 905 CA SER A 57 -22.903 -0.678 -3.546 1.00 9.00 C ATOM 906 C SER A 57 -22.658 -1.324 -4.907 1.00 9.44 C ATOM 907 O SER A 57 -22.939 -2.507 -5.097 1.00 10.91 O ATOM 908 CB SER A 57 -24.347 -0.179 -3.464 1.00 10.32 C ATOM 909 OG SER A 57 -24.540 0.842 -4.434 1.00 13.59 O ATOM 0 H SER A 57 -22.348 1.319 -3.145 1.00 8.92 H new ATOM 0 HA SER A 57 -22.751 -1.433 -2.774 1.00 9.00 H new ATOM 0 HB2 SER A 57 -25.040 -1.002 -3.640 1.00 10.32 H new ATOM 0 HB3 SER A 57 -24.556 0.206 -2.466 1.00 10.32 H new ATOM 0 HG SER A 57 -25.464 1.166 -4.389 1.00 13.59 H new ATOM 915 N ASP A 58 -22.142 -0.554 -5.847 1.00 9.11 N ATOM 916 CA ASP A 58 -21.879 -1.082 -7.182 1.00 7.91 C ATOM 917 C ASP A 58 -20.853 -2.210 -7.118 1.00 9.12 C ATOM 918 O ASP A 58 -20.863 -3.117 -7.950 1.00 8.61 O ATOM 919 CB ASP A 58 -21.360 0.033 -8.092 1.00 8.41 C ATOM 920 CG ASP A 58 -22.471 1.037 -8.378 1.00 11.50 C ATOM 921 OD1 ASP A 58 -23.625 0.678 -8.212 1.00 10.05 O ATOM 922 OD2 ASP A 58 -22.152 2.152 -8.759 1.00 11.70 O ATOM 0 H ASP A 58 -21.898 0.428 -5.718 1.00 9.11 H new ATOM 0 HA ASP A 58 -22.811 -1.476 -7.588 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -20.517 0.537 -7.618 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -20.993 -0.391 -9.027 1.00 8.41 H new ATOM 927 N TYR A 59 -19.966 -2.145 -6.123 1.00 7.97 N ATOM 928 CA TYR A 59 -18.926 -3.165 -5.949 1.00 8.45 C ATOM 929 C TYR A 59 -19.304 -4.177 -4.871 1.00 10.98 C ATOM 930 O TYR A 59 -18.460 -4.947 -4.411 1.00 12.95 O ATOM 931 CB TYR A 59 -17.599 -2.514 -5.562 1.00 7.94 C ATOM 932 CG TYR A 59 -17.035 -1.783 -6.751 1.00 6.91 C ATOM 933 CD1 TYR A 59 -16.386 -2.501 -7.762 1.00 4.59 C ATOM 934 CD2 TYR A 59 -17.154 -0.396 -6.843 1.00 6.98 C ATOM 935 CE1 TYR A 59 -15.854 -1.827 -8.868 1.00 5.39 C ATOM 936 CE2 TYR A 59 -16.623 0.276 -7.946 1.00 6.52 C ATOM 937 CZ TYR A 59 -15.971 -0.437 -8.959 1.00 6.76 C ATOM 938 OH TYR A 59 -15.448 0.232 -10.047 1.00 7.63 O ATOM 0 H TYR A 59 -19.946 -1.400 -5.427 1.00 7.97 H new ATOM 0 HA TYR A 59 -18.826 -3.684 -6.902 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -17.749 -1.822 -4.733 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -16.895 -3.273 -5.220 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -16.296 -3.575 -7.689 1.00 4.59 H new ATOM 0 HD2 TYR A 59 -17.656 0.157 -6.063 1.00 6.98 H new ATOM 0 HE1 TYR A 59 -15.354 -2.380 -9.649 1.00 5.39 H new ATOM 0 HE2 TYR A 59 -16.716 1.350 -8.018 1.00 6.52 H new ATOM 0 HH TYR A 59 -15.815 1.140 -10.080 1.00 7.63 H new ATOM 948 N ASN A 60 -20.575 -4.176 -4.466 1.00 12.38 N ATOM 949 CA ASN A 60 -21.074 -5.087 -3.442 1.00 13.94 C ATOM 950 C ASN A 60 -20.198 -5.082 -2.193 1.00 14.16 C ATOM 951 O ASN A 60 -19.976 -6.125 -1.579 1.00 14.26 O ATOM 952 CB ASN A 60 -21.185 -6.510 -3.990 1.00 19.23 C ATOM 953 CG ASN A 60 -22.147 -6.538 -5.173 1.00 22.65 C ATOM 954 OD1 ASN A 60 -23.261 -6.025 -5.079 1.00 25.45 O ATOM 955 ND2 ASN A 60 -21.781 -7.110 -6.287 1.00 24.09 N ATOM 0 H ASN A 60 -21.284 -3.544 -4.839 1.00 12.38 H new ATOM 0 HA ASN A 60 -22.065 -4.731 -3.158 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -20.203 -6.867 -4.300 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -21.537 -7.183 -3.208 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -22.419 -7.132 -7.082 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -20.857 -7.535 -6.363 1.00 24.09 H new ATOM 962 N ILE A 61 -19.731 -3.899 -1.799 1.00 11.08 N ATOM 963 CA ILE A 61 -18.915 -3.784 -0.591 1.00 11.78 C ATOM 964 C ILE A 61 -19.866 -3.764 0.601 1.00 13.74 C ATOM 965 O ILE A 61 -20.771 -2.932 0.670 1.00 14.60 O ATOM 966 CB ILE A 61 -18.037 -2.528 -0.677 1.00 11.80 C ATOM 967 CG1 ILE A 61 -17.043 -2.709 -1.827 1.00 11.56 C ATOM 968 CG2 ILE A 61 -17.260 -2.328 0.628 1.00 13.29 C ATOM 969 CD1 ILE A 61 -16.250 -1.421 -2.049 1.00 11.42 C ATOM 0 H ILE A 61 -19.899 -3.020 -2.288 1.00 11.08 H new ATOM 0 HA ILE A 61 -18.233 -4.627 -0.479 1.00 11.78 H new ATOM 0 HB ILE A 61 -18.669 -1.656 -0.846 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -16.362 -3.530 -1.602 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -17.576 -2.978 -2.739 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -16.642 -1.433 0.550 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -17.961 -2.214 1.455 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -16.623 -3.194 0.809 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -15.547 -1.564 -2.870 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -16.935 -0.610 -2.295 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -15.702 -1.170 -1.141 1.00 11.42 H new ATOM 981 N GLN A 62 -19.690 -4.728 1.513 1.00 13.97 N ATOM 982 CA GLN A 62 -20.564 -4.879 2.682 1.00 15.52 C ATOM 983 C GLN A 62 -19.870 -4.454 3.975 1.00 13.94 C ATOM 984 O GLN A 62 -18.665 -4.206 4.003 1.00 12.15 O ATOM 985 CB GLN A 62 -20.986 -6.345 2.774 1.00 19.53 C ATOM 986 CG GLN A 62 -21.942 -6.667 1.624 1.00 26.38 C ATOM 987 CD GLN A 62 -22.335 -8.139 1.664 1.00 30.61 C ATOM 988 OE1 GLN A 62 -23.067 -8.564 2.558 1.00 33.23 O ATOM 989 NE2 GLN A 62 -21.889 -8.947 0.743 1.00 32.71 N ATOM 0 H GLN A 62 -18.943 -5.421 1.462 1.00 13.97 H new ATOM 0 HA GLN A 62 -21.432 -4.231 2.559 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -20.110 -6.992 2.726 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -21.472 -6.537 3.731 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -22.833 -6.043 1.696 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -21.467 -6.435 0.671 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -21.283 -8.592 0.003 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -22.146 -9.934 0.762 1.00 32.71 H new ATOM 998 N LYS A 63 -20.667 -4.350 5.037 1.00 11.73 N ATOM 999 CA LYS A 63 -20.118 -3.920 6.319 1.00 11.97 C ATOM 1000 C LYS A 63 -18.886 -4.739 6.708 1.00 10.41 C ATOM 1001 O LYS A 63 -18.815 -5.946 6.473 1.00 9.59 O ATOM 1002 CB LYS A 63 -21.142 -4.005 7.453 1.00 13.73 C ATOM 1003 CG LYS A 63 -21.693 -5.431 7.524 1.00 16.98 C ATOM 1004 CD LYS A 63 -22.823 -5.494 8.553 1.00 20.19 C ATOM 1005 CE LYS A 63 -23.373 -6.920 8.618 1.00 23.42 C ATOM 1006 NZ LYS A 63 -24.310 -7.038 9.771 1.00 25.97 N ATOM 0 H LYS A 63 -21.667 -4.551 5.037 1.00 11.73 H new ATOM 0 HA LYS A 63 -19.835 -2.876 6.181 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -20.677 -3.734 8.401 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -21.953 -3.297 7.282 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -22.061 -5.738 6.545 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -20.899 -6.125 7.798 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -22.455 -5.190 9.533 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -23.617 -4.798 8.281 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -23.889 -7.165 7.690 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -22.555 -7.632 8.726 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -24.685 -8.007 9.816 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -23.804 -6.821 10.653 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -25.096 -6.368 9.649 1.00 25.97 H new ATOM 1020 N GLU A 64 -17.913 -4.040 7.288 1.00 10.04 N ATOM 1021 CA GLU A 64 -16.646 -4.636 7.714 1.00 10.94 C ATOM 1022 C GLU A 64 -15.794 -5.120 6.546 1.00 9.74 C ATOM 1023 O GLU A 64 -14.899 -5.944 6.732 1.00 9.42 O ATOM 1024 CB GLU A 64 -16.802 -5.785 8.713 1.00 18.31 C ATOM 1025 CG GLU A 64 -17.413 -5.251 10.009 1.00 24.16 C ATOM 1026 CD GLU A 64 -17.357 -6.330 11.086 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -17.147 -7.479 10.737 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -17.525 -5.990 12.246 1.00 32.61 O ATOM 0 H GLU A 64 -17.980 -3.040 7.477 1.00 10.04 H new ATOM 0 HA GLU A 64 -16.137 -3.814 8.217 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -17.438 -6.564 8.292 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -15.832 -6.240 8.915 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -16.871 -4.365 10.340 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -18.446 -4.948 9.838 1.00 24.16 H new ATOM 1035 N SER A 65 -16.009 -4.562 5.365 1.00 6.85 N ATOM 1036 CA SER A 65 -15.192 -4.892 4.207 1.00 6.90 C ATOM 1037 C SER A 65 -13.862 -4.166 4.347 1.00 4.72 C ATOM 1038 O SER A 65 -13.804 -3.074 4.912 1.00 3.91 O ATOM 1039 CB SER A 65 -15.898 -4.459 2.926 1.00 7.28 C ATOM 1040 OG SER A 65 -16.995 -5.326 2.675 1.00 10.56 O ATOM 0 H SER A 65 -16.743 -3.878 5.183 1.00 6.85 H new ATOM 0 HA SER A 65 -15.028 -5.968 4.155 1.00 6.90 H new ATOM 0 HB2 SER A 65 -16.247 -3.431 3.020 1.00 7.28 H new ATOM 0 HB3 SER A 65 -15.202 -4.484 2.088 1.00 7.28 H new ATOM 0 HG SER A 65 -17.710 -5.144 3.320 1.00 10.56 H new ATOM 1046 N THR A 66 -12.787 -4.767 3.823 1.00 4.48 N ATOM 1047 CA THR A 66 -11.457 -4.161 3.885 1.00 3.80 C ATOM 1048 C THR A 66 -11.004 -3.779 2.478 1.00 4.60 C ATOM 1049 O THR A 66 -10.915 -4.625 1.588 1.00 5.33 O ATOM 1050 CB THR A 66 -10.448 -5.144 4.486 1.00 2.85 C ATOM 1051 OG1 THR A 66 -10.857 -5.498 5.799 1.00 2.15 O ATOM 1052 CG2 THR A 66 -9.065 -4.489 4.542 1.00 3.40 C ATOM 0 H THR A 66 -12.815 -5.671 3.352 1.00 4.48 H new ATOM 0 HA THR A 66 -11.508 -3.273 4.515 1.00 3.80 H new ATOM 0 HB THR A 66 -10.400 -6.039 3.866 1.00 2.85 H new ATOM 0 HG1 THR A 66 -10.213 -6.128 6.184 1.00 2.15 H new ATOM 0 HG21 THR A 66 -8.348 -5.189 4.970 1.00 3.40 H new ATOM 0 HG22 THR A 66 -8.750 -4.217 3.534 1.00 3.40 H new ATOM 0 HG23 THR A 66 -9.111 -3.593 5.162 1.00 3.40 H new ATOM 1060 N LEU A 67 -10.669 -2.504 2.307 1.00 4.17 N ATOM 1061 CA LEU A 67 -10.164 -2.000 1.032 1.00 3.85 C ATOM 1062 C LEU A 67 -8.669 -1.783 1.183 1.00 3.80 C ATOM 1063 O LEU A 67 -8.163 -1.606 2.292 1.00 5.54 O ATOM 1064 CB LEU A 67 -10.807 -0.662 0.662 1.00 7.18 C ATOM 1065 CG LEU A 67 -12.347 -0.756 0.703 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -12.884 -0.456 2.107 1.00 8.12 C ATOM 1067 CD2 LEU A 67 -12.950 0.251 -0.284 1.00 11.66 C ATOM 0 H LEU A 67 -10.738 -1.797 3.039 1.00 4.17 H new ATOM 0 HA LEU A 67 -10.399 -2.721 0.249 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -10.468 0.111 1.352 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -10.484 -0.363 -0.335 1.00 7.18 H new ATOM 0 HG LEU A 67 -12.630 -1.772 0.429 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -13.971 -0.530 2.104 1.00 8.12 H new ATOM 0 HD12 LEU A 67 -12.473 -1.176 2.815 1.00 8.12 H new ATOM 0 HD13 LEU A 67 -12.590 0.551 2.402 1.00 8.12 H new ATOM 0 HD21 LEU A 67 -14.037 0.183 -0.254 1.00 11.66 H new ATOM 0 HD22 LEU A 67 -12.641 1.260 -0.009 1.00 11.66 H new ATOM 0 HD23 LEU A 67 -12.600 0.027 -1.292 1.00 11.66 H new ATOM 1079 N HIS A 68 -7.964 -1.781 0.055 1.00 2.94 N ATOM 1080 CA HIS A 68 -6.523 -1.565 0.051 1.00 4.17 C ATOM 1081 C HIS A 68 -6.218 -0.230 -0.613 1.00 5.32 C ATOM 1082 O HIS A 68 -6.767 0.086 -1.669 1.00 7.70 O ATOM 1083 CB HIS A 68 -5.828 -2.686 -0.727 1.00 5.57 C ATOM 1084 CG HIS A 68 -5.946 -3.977 0.030 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -7.009 -4.845 -0.157 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -5.146 -4.563 0.980 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -6.825 -5.896 0.660 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -5.703 -5.776 1.377 1.00 16.30 N ATOM 0 H HIS A 68 -8.370 -1.927 -0.869 1.00 2.94 H new ATOM 0 HA HIS A 68 -6.158 -1.562 1.078 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -6.278 -2.790 -1.714 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -4.778 -2.438 -0.880 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -7.790 -4.711 -0.799 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -4.225 -4.147 1.361 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -7.501 -6.735 0.729 1.00 14.75 H new ATOM 1096 N LEU A 69 -5.346 0.558 0.009 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.975 1.867 -0.525 1.00 3.97 C ATOM 1098 C LEU A 69 -3.570 1.784 -1.104 1.00 5.07 C ATOM 1099 O LEU A 69 -2.655 1.273 -0.459 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.995 2.919 0.601 1.00 6.08 C ATOM 1101 CG LEU A 69 -4.611 4.316 0.091 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.753 4.919 -0.727 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -4.325 5.228 1.288 1.00 9.96 C ATOM 0 H LEU A 69 -4.882 0.314 0.884 1.00 5.29 H new ATOM 0 HA LEU A 69 -5.685 2.156 -1.299 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -5.990 2.956 1.045 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.305 2.619 1.390 1.00 6.08 H new ATOM 0 HG LEU A 69 -3.727 4.228 -0.540 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.464 5.909 -1.081 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.967 4.277 -1.581 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.643 5.002 -0.103 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -4.052 6.221 0.932 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.216 5.299 1.912 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -3.504 4.814 1.873 1.00 9.96 H new ATOM 1115 N VAL A 70 -3.394 2.314 -2.326 1.00 4.29 N ATOM 1116 CA VAL A 70 -2.111 2.344 -3.020 1.00 6.26 C ATOM 1117 C VAL A 70 -1.772 3.803 -3.298 1.00 9.22 C ATOM 1118 O VAL A 70 -2.651 4.625 -3.552 1.00 9.36 O ATOM 1119 CB VAL A 70 -2.225 1.532 -4.320 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -1.221 2.010 -5.378 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -1.973 0.059 -4.035 1.00 8.54 C ATOM 0 H VAL A 70 -4.153 2.737 -2.860 1.00 4.29 H new ATOM 0 HA VAL A 70 -1.317 1.900 -2.420 1.00 6.26 H new ATOM 0 HB VAL A 70 -3.233 1.677 -4.708 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -1.333 1.412 -6.282 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -1.409 3.058 -5.611 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -0.207 1.900 -4.993 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -2.056 -0.510 -4.961 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -0.973 -0.065 -3.621 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -2.710 -0.304 -3.319 1.00 8.54 H new ATOM 1131 N LEU A 71 -0.488 4.109 -3.228 1.00 12.71 N ATOM 1132 CA LEU A 71 0.000 5.472 -3.451 1.00 16.06 C ATOM 1133 C LEU A 71 0.767 5.558 -4.764 1.00 18.09 C ATOM 1134 O LEU A 71 1.524 4.654 -5.117 1.00 19.26 O ATOM 1135 CB LEU A 71 0.917 5.890 -2.299 1.00 17.10 C ATOM 1136 CG LEU A 71 0.227 5.612 -0.958 1.00 19.37 C ATOM 1137 CD1 LEU A 71 1.154 6.036 0.185 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -1.085 6.408 -0.873 1.00 19.57 C ATOM 0 H LEU A 71 0.245 3.432 -3.017 1.00 12.71 H new ATOM 0 HA LEU A 71 -0.858 6.142 -3.499 1.00 16.06 H new ATOM 0 HB2 LEU A 71 1.858 5.343 -2.354 1.00 17.10 H new ATOM 0 HB3 LEU A 71 1.159 6.950 -2.381 1.00 17.10 H new ATOM 0 HG LEU A 71 0.007 4.547 -0.879 1.00 19.37 H new ATOM 0 HD11 LEU A 71 0.667 5.840 1.140 1.00 17.51 H new ATOM 0 HD12 LEU A 71 2.084 5.470 0.129 1.00 17.51 H new ATOM 0 HD13 LEU A 71 1.372 7.101 0.101 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -1.571 6.207 0.082 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -0.870 7.474 -0.953 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -1.746 6.109 -1.687 1.00 19.57 H new ATOM 1150 N ARG A 72 0.558 6.659 -5.485 1.00 21.47 N ATOM 1151 CA ARG A 72 1.222 6.884 -6.770 1.00 25.83 C ATOM 1152 C ARG A 72 2.079 8.146 -6.702 1.00 27.74 C ATOM 1153 O ARG A 72 1.610 9.201 -6.275 1.00 30.65 O ATOM 1154 CB ARG A 72 0.165 7.052 -7.864 1.00 28.49 C ATOM 1155 CG ARG A 72 0.845 7.300 -9.211 1.00 31.79 C ATOM 1156 CD ARG A 72 -0.209 7.289 -10.317 1.00 34.05 C ATOM 1157 NE ARG A 72 0.372 7.756 -11.575 1.00 35.08 N ATOM 1158 CZ ARG A 72 -0.297 8.564 -12.397 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -0.792 9.686 -11.949 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -0.460 8.232 -13.648 1.00 35.02 N ATOM 0 H ARG A 72 -0.068 7.412 -5.200 1.00 21.47 H new ATOM 0 HA ARG A 72 1.859 6.029 -6.997 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -0.458 6.159 -7.920 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -0.494 7.886 -7.620 1.00 28.49 H new ATOM 0 HG2 ARG A 72 1.365 8.258 -9.198 1.00 31.79 H new ATOM 0 HG3 ARG A 72 1.595 6.532 -9.400 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -0.604 6.281 -10.443 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -1.047 7.927 -10.037 1.00 34.05 H new ATOM 0 HE ARG A 72 1.313 7.456 -11.830 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -0.667 9.944 -10.970 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -1.304 10.305 -12.578 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -0.075 7.354 -13.997 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -0.972 8.850 -14.277 1.00 35.02 H new TER 1174 ARG A 72 ATOM 1175 N MET B 1 21.680 -7.651 2.567 1.00 9.67 N ATOM 1176 CA MET B 1 20.842 -7.314 3.754 1.00 10.38 C ATOM 1177 C MET B 1 19.460 -7.933 3.595 1.00 9.62 C ATOM 1178 O MET B 1 19.007 -8.180 2.476 1.00 9.62 O ATOM 1179 CB MET B 1 20.724 -5.793 3.878 1.00 13.77 C ATOM 1180 CG MET B 1 20.139 -5.211 2.592 1.00 16.29 C ATOM 1181 SD MET B 1 20.142 -3.403 2.699 1.00 17.17 S ATOM 1182 CE MET B 1 18.610 -3.110 1.784 1.00 16.11 C ATOM 0 H1 MET B 1 22.367 -6.889 2.400 1.00 9.67 H new ATOM 0 H2 MET B 1 22.187 -8.542 2.742 1.00 9.67 H new ATOM 0 H3 MET B 1 21.071 -7.758 1.731 1.00 9.67 H new ATOM 0 HA MET B 1 21.308 -7.712 4.656 1.00 10.38 H new ATOM 0 HB2 MET B 1 20.089 -5.537 4.726 1.00 13.77 H new ATOM 0 HB3 MET B 1 21.704 -5.358 4.071 1.00 13.77 H new ATOM 0 HG2 MET B 1 20.724 -5.537 1.732 1.00 16.29 H new ATOM 0 HG3 MET B 1 19.123 -5.576 2.443 1.00 16.29 H new ATOM 0 HE1 MET B 1 18.544 -2.056 1.513 1.00 16.11 H new ATOM 0 HE2 MET B 1 18.605 -3.718 0.879 1.00 16.11 H new ATOM 0 HE3 MET B 1 17.757 -3.379 2.407 1.00 16.11 H new ATOM 1194 N GLN B 2 18.787 -8.177 4.716 1.00 9.27 N ATOM 1195 CA GLN B 2 17.448 -8.764 4.687 1.00 9.07 C ATOM 1196 C GLN B 2 16.392 -7.671 4.764 1.00 8.72 C ATOM 1197 O GLN B 2 16.532 -6.691 5.499 1.00 8.22 O ATOM 1198 CB GLN B 2 17.247 -9.708 5.876 1.00 14.46 C ATOM 1199 CG GLN B 2 18.101 -10.965 5.709 1.00 17.01 C ATOM 1200 CD GLN B 2 17.565 -11.812 4.563 1.00 20.10 C ATOM 1201 OE1 GLN B 2 16.410 -11.661 4.168 1.00 21.89 O ATOM 1202 NE2 GLN B 2 18.331 -12.714 4.019 1.00 19.49 N ATOM 0 H GLN B 2 19.143 -7.979 5.651 1.00 9.27 H new ATOM 0 HA GLN B 2 17.348 -9.319 3.754 1.00 9.07 H new ATOM 0 HB2 GLN B 2 17.515 -9.199 6.802 1.00 14.46 H new ATOM 0 HB3 GLN B 2 16.195 -9.983 5.956 1.00 14.46 H new ATOM 0 HG2 GLN B 2 19.137 -10.687 5.513 1.00 17.01 H new ATOM 0 HG3 GLN B 2 18.095 -11.543 6.633 1.00 17.01 H new ATOM 0 HE21 GLN B 2 19.288 -12.836 4.349 1.00 19.49 H new ATOM 0 HE22 GLN B 2 17.974 -13.298 3.263 1.00 19.49 H new ATOM 1211 N ILE B 3 15.307 -7.883 4.016 1.00 5.87 N ATOM 1212 CA ILE B 3 14.174 -6.965 3.996 1.00 5.07 C ATOM 1213 C ILE B 3 12.893 -7.779 4.179 1.00 4.01 C ATOM 1214 O ILE B 3 12.908 -9.004 4.033 1.00 4.61 O ATOM 1215 CB ILE B 3 14.142 -6.153 2.694 1.00 6.55 C ATOM 1216 CG1 ILE B 3 13.984 -7.075 1.480 1.00 4.72 C ATOM 1217 CG2 ILE B 3 15.448 -5.365 2.559 1.00 5.58 C ATOM 1218 CD1 ILE B 3 13.662 -6.241 0.236 1.00 10.83 C ATOM 0 H ILE B 3 15.192 -8.695 3.410 1.00 5.87 H new ATOM 0 HA ILE B 3 14.267 -6.245 4.809 1.00 5.07 H new ATOM 0 HB ILE B 3 13.291 -5.473 2.729 1.00 6.55 H new ATOM 0 HG12 ILE B 3 14.900 -7.643 1.321 1.00 4.72 H new ATOM 0 HG13 ILE B 3 13.188 -7.797 1.661 1.00 4.72 H new ATOM 0 HG21 ILE B 3 15.430 -4.786 1.635 1.00 5.58 H new ATOM 0 HG22 ILE B 3 15.555 -4.690 3.408 1.00 5.58 H new ATOM 0 HG23 ILE B 3 16.290 -6.057 2.537 1.00 5.58 H new ATOM 0 HD11 ILE B 3 13.550 -6.900 -0.625 1.00 10.83 H new ATOM 0 HD12 ILE B 3 12.734 -5.693 0.396 1.00 10.83 H new ATOM 0 HD13 ILE B 3 14.472 -5.536 0.051 1.00 10.83 H new ATOM 1230 N PHE B 4 11.782 -7.098 4.487 1.00 4.55 N ATOM 1231 CA PHE B 4 10.496 -7.786 4.677 1.00 4.68 C ATOM 1232 C PHE B 4 9.420 -7.211 3.760 1.00 5.30 C ATOM 1233 O PHE B 4 9.320 -6.004 3.594 1.00 5.58 O ATOM 1234 CB PHE B 4 10.034 -7.637 6.128 1.00 4.83 C ATOM 1235 CG PHE B 4 11.042 -8.268 7.059 1.00 7.97 C ATOM 1236 CD1 PHE B 4 11.045 -9.656 7.246 1.00 6.69 C ATOM 1237 CD2 PHE B 4 11.967 -7.469 7.744 1.00 8.34 C ATOM 1238 CE1 PHE B 4 11.971 -10.244 8.115 1.00 9.10 C ATOM 1239 CE2 PHE B 4 12.894 -8.059 8.612 1.00 10.61 C ATOM 1240 CZ PHE B 4 12.896 -9.445 8.798 1.00 8.90 C ATOM 0 H PHE B 4 11.745 -6.086 4.609 1.00 4.55 H new ATOM 0 HA PHE B 4 10.644 -8.838 4.433 1.00 4.68 H new ATOM 0 HB2 PHE B 4 9.912 -6.582 6.373 1.00 4.83 H new ATOM 0 HB3 PHE B 4 9.061 -8.110 6.259 1.00 4.83 H new ATOM 0 HD1 PHE B 4 10.332 -10.273 6.719 1.00 6.69 H new ATOM 0 HD2 PHE B 4 11.965 -6.398 7.603 1.00 8.34 H new ATOM 0 HE1 PHE B 4 11.972 -11.314 8.259 1.00 9.10 H new ATOM 0 HE2 PHE B 4 13.608 -7.443 9.138 1.00 10.61 H new ATOM 0 HZ PHE B 4 13.611 -9.899 9.468 1.00 8.90 H new ATOM 1250 N VAL B 5 8.585 -8.094 3.201 1.00 4.44 N ATOM 1251 CA VAL B 5 7.473 -7.665 2.343 1.00 3.87 C ATOM 1252 C VAL B 5 6.172 -8.204 2.927 1.00 4.93 C ATOM 1253 O VAL B 5 6.020 -9.409 3.108 1.00 6.84 O ATOM 1254 CB VAL B 5 7.640 -8.191 0.913 1.00 2.99 C ATOM 1255 CG1 VAL B 5 6.516 -7.622 0.034 1.00 5.28 C ATOM 1256 CG2 VAL B 5 8.988 -7.737 0.342 1.00 9.13 C ATOM 0 H VAL B 5 8.656 -9.104 3.326 1.00 4.44 H new ATOM 0 HA VAL B 5 7.459 -6.576 2.305 1.00 3.87 H new ATOM 0 HB VAL B 5 7.598 -9.280 0.926 1.00 2.99 H new ATOM 0 HG11 VAL B 5 6.628 -7.992 -0.985 1.00 5.28 H new ATOM 0 HG12 VAL B 5 5.550 -7.936 0.430 1.00 5.28 H new ATOM 0 HG13 VAL B 5 6.571 -6.533 0.033 1.00 5.28 H new ATOM 0 HG21 VAL B 5 9.099 -8.115 -0.674 1.00 9.13 H new ATOM 0 HG22 VAL B 5 9.030 -6.648 0.331 1.00 9.13 H new ATOM 0 HG23 VAL B 5 9.795 -8.125 0.963 1.00 9.13 H new ATOM 1266 N LYS B 6 5.222 -7.313 3.204 1.00 6.04 N ATOM 1267 CA LYS B 6 3.924 -7.729 3.750 1.00 6.12 C ATOM 1268 C LYS B 6 2.870 -7.777 2.645 1.00 6.57 C ATOM 1269 O LYS B 6 2.854 -6.932 1.749 1.00 5.76 O ATOM 1270 CB LYS B 6 3.474 -6.768 4.867 1.00 7.45 C ATOM 1271 CG LYS B 6 4.015 -7.253 6.218 1.00 11.12 C ATOM 1272 CD LYS B 6 3.565 -6.298 7.315 1.00 14.54 C ATOM 1273 CE LYS B 6 4.089 -6.785 8.666 1.00 18.84 C ATOM 1274 NZ LYS B 6 5.563 -6.986 8.584 1.00 20.55 N ATOM 0 H LYS B 6 5.321 -6.308 3.063 1.00 6.04 H new ATOM 0 HA LYS B 6 4.036 -8.728 4.172 1.00 6.12 H new ATOM 0 HB2 LYS B 6 3.836 -5.761 4.660 1.00 7.45 H new ATOM 0 HB3 LYS B 6 2.386 -6.716 4.898 1.00 7.45 H new ATOM 0 HG2 LYS B 6 3.654 -8.260 6.427 1.00 11.12 H new ATOM 0 HG3 LYS B 6 5.103 -7.304 6.189 1.00 11.12 H new ATOM 0 HD2 LYS B 6 3.935 -5.293 7.111 1.00 14.54 H new ATOM 0 HD3 LYS B 6 2.477 -6.239 7.336 1.00 14.54 H new ATOM 0 HE2 LYS B 6 3.853 -6.058 9.443 1.00 18.84 H new ATOM 0 HE3 LYS B 6 3.599 -7.718 8.943 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 5.974 -6.932 9.538 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 5.764 -7.920 8.173 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 5.981 -6.247 7.984 1.00 20.55 H new ATOM 1288 N THR B 7 1.980 -8.778 2.724 1.00 7.41 N ATOM 1289 CA THR B 7 0.913 -8.936 1.736 1.00 7.48 C ATOM 1290 C THR B 7 -0.421 -8.427 2.281 1.00 8.75 C ATOM 1291 O THR B 7 -0.591 -8.192 3.478 1.00 8.58 O ATOM 1292 CB THR B 7 0.755 -10.403 1.340 1.00 9.61 C ATOM 1293 OG1 THR B 7 0.186 -11.133 2.415 1.00 11.78 O ATOM 1294 CG2 THR B 7 2.109 -11.010 0.963 1.00 9.17 C ATOM 0 H THR B 7 1.981 -9.485 3.460 1.00 7.41 H new ATOM 0 HA THR B 7 1.192 -8.348 0.861 1.00 7.48 H new ATOM 0 HB THR B 7 0.096 -10.458 0.474 1.00 9.61 H new ATOM 0 HG1 THR B 7 -0.599 -11.625 2.097 1.00 11.78 H new ATOM 0 HG21 THR B 7 1.974 -12.055 0.684 1.00 9.17 H new ATOM 0 HG22 THR B 7 2.532 -10.462 0.121 1.00 9.17 H new ATOM 0 HG23 THR B 7 2.786 -10.946 1.815 1.00 9.17 H new ATOM 1302 N LEU B 8 -1.339 -8.273 1.362 1.00 9.84 N ATOM 1303 CA LEU B 8 -2.680 -7.794 1.699 1.00 14.15 C ATOM 1304 C LEU B 8 -3.405 -8.780 2.609 1.00 17.37 C ATOM 1305 O LEU B 8 -4.381 -8.416 3.265 1.00 17.01 O ATOM 1306 CB LEU B 8 -3.510 -7.603 0.430 1.00 16.63 C ATOM 1307 CG LEU B 8 -2.829 -6.593 -0.493 1.00 18.88 C ATOM 1308 CD1 LEU B 8 -3.619 -6.497 -1.803 1.00 19.31 C ATOM 1309 CD2 LEU B 8 -2.768 -5.207 0.177 1.00 18.59 C ATOM 0 H LEU B 8 -1.195 -8.469 0.371 1.00 9.84 H new ATOM 0 HA LEU B 8 -2.566 -6.843 2.219 1.00 14.15 H new ATOM 0 HB2 LEU B 8 -3.627 -8.557 -0.085 1.00 16.63 H new ATOM 0 HB3 LEU B 8 -4.510 -7.255 0.689 1.00 16.63 H new ATOM 0 HG LEU B 8 -1.811 -6.926 -0.696 1.00 18.88 H new ATOM 0 HD11 LEU B 8 -3.138 -5.778 -2.466 1.00 19.31 H new ATOM 0 HD12 LEU B 8 -3.644 -7.474 -2.285 1.00 19.31 H new ATOM 0 HD13 LEU B 8 -4.637 -6.171 -1.591 1.00 19.31 H new ATOM 0 HD21 LEU B 8 -2.280 -4.500 -0.494 1.00 18.59 H new ATOM 0 HD22 LEU B 8 -3.779 -4.863 0.394 1.00 18.59 H new ATOM 0 HD23 LEU B 8 -2.201 -5.276 1.106 1.00 18.59 H new ATOM 1321 N THR B 9 -2.949 -10.038 2.636 1.00 18.33 N ATOM 1322 CA THR B 9 -3.604 -11.057 3.465 1.00 19.24 C ATOM 1323 C THR B 9 -2.958 -11.181 4.843 1.00 19.48 C ATOM 1324 O THR B 9 -3.414 -11.961 5.679 1.00 23.14 O ATOM 1325 CB THR B 9 -3.644 -12.408 2.750 1.00 18.97 C ATOM 1326 OG1 THR B 9 -2.320 -12.906 2.620 1.00 20.24 O ATOM 1327 CG2 THR B 9 -4.266 -12.243 1.363 1.00 19.70 C ATOM 0 H THR B 9 -2.145 -10.371 2.104 1.00 18.33 H new ATOM 0 HA THR B 9 -4.631 -10.727 3.623 1.00 19.24 H new ATOM 0 HB THR B 9 -4.246 -13.108 3.330 1.00 18.97 H new ATOM 0 HG1 THR B 9 -2.340 -13.773 2.164 1.00 20.24 H new ATOM 0 HG21 THR B 9 -4.292 -13.209 0.859 1.00 19.70 H new ATOM 0 HG22 THR B 9 -5.281 -11.859 1.463 1.00 19.70 H new ATOM 0 HG23 THR B 9 -3.669 -11.544 0.777 1.00 19.70 H new ATOM 1335 N GLY B 10 -1.925 -10.377 5.096 1.00 19.43 N ATOM 1336 CA GLY B 10 -1.267 -10.377 6.405 1.00 18.74 C ATOM 1337 C GLY B 10 -0.045 -11.286 6.477 1.00 17.62 C ATOM 1338 O GLY B 10 0.459 -11.580 7.562 1.00 19.74 O ATOM 0 H GLY B 10 -1.528 -9.724 4.421 1.00 19.43 H new ATOM 0 HA2 GLY B 10 -0.966 -9.359 6.650 1.00 18.74 H new ATOM 0 HA3 GLY B 10 -1.986 -10.689 7.163 1.00 18.74 H new ATOM 1342 N LYS B 11 0.430 -11.722 5.314 1.00 13.56 N ATOM 1343 CA LYS B 11 1.606 -12.596 5.280 1.00 11.91 C ATOM 1344 C LYS B 11 2.873 -11.751 5.181 1.00 10.18 C ATOM 1345 O LYS B 11 2.868 -10.725 4.511 1.00 9.10 O ATOM 1346 CB LYS B 11 1.552 -13.527 4.067 1.00 13.43 C ATOM 1347 CG LYS B 11 2.643 -14.593 4.174 1.00 16.69 C ATOM 1348 CD LYS B 11 2.572 -15.512 2.954 1.00 17.92 C ATOM 1349 CE LYS B 11 3.657 -16.584 3.059 1.00 20.81 C ATOM 1350 NZ LYS B 11 3.412 -17.414 4.271 1.00 21.93 N ATOM 0 H LYS B 11 0.033 -11.494 4.402 1.00 13.56 H new ATOM 0 HA LYS B 11 1.614 -13.189 6.194 1.00 11.91 H new ATOM 0 HB2 LYS B 11 0.573 -14.002 4.007 1.00 13.43 H new ATOM 0 HB3 LYS B 11 1.684 -12.951 3.151 1.00 13.43 H new ATOM 0 HG2 LYS B 11 3.624 -14.121 4.232 1.00 16.69 H new ATOM 0 HG3 LYS B 11 2.513 -15.172 5.088 1.00 16.69 H new ATOM 0 HD2 LYS B 11 1.589 -15.979 2.894 1.00 17.92 H new ATOM 0 HD3 LYS B 11 2.706 -14.932 2.041 1.00 17.92 H new ATOM 0 HE2 LYS B 11 3.652 -17.211 2.168 1.00 20.81 H new ATOM 0 HE3 LYS B 11 4.641 -16.118 3.116 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 3.883 -18.335 4.162 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 3.792 -16.927 5.108 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 2.389 -17.561 4.390 1.00 21.93 H new ATOM 1364 N THR B 12 3.966 -12.188 5.819 1.00 9.63 N ATOM 1365 CA THR B 12 5.235 -11.438 5.740 1.00 9.85 C ATOM 1366 C THR B 12 6.296 -12.319 5.078 1.00 11.66 C ATOM 1367 O THR B 12 6.526 -13.447 5.513 1.00 12.33 O ATOM 1368 CB THR B 12 5.701 -11.019 7.138 1.00 10.85 C ATOM 1369 OG1 THR B 12 4.711 -10.192 7.734 1.00 10.91 O ATOM 1370 CG2 THR B 12 7.007 -10.226 7.009 1.00 9.63 C ATOM 0 H THR B 12 4.004 -13.036 6.384 1.00 9.63 H new ATOM 0 HA THR B 12 5.081 -10.537 5.147 1.00 9.85 H new ATOM 0 HB THR B 12 5.861 -11.903 7.756 1.00 10.85 H new ATOM 0 HG1 THR B 12 5.005 -9.923 8.629 1.00 10.91 H new ATOM 0 HG21 THR B 12 7.348 -9.923 7.999 1.00 9.63 H new ATOM 0 HG22 THR B 12 7.767 -10.850 6.539 1.00 9.63 H new ATOM 0 HG23 THR B 12 6.836 -9.340 6.397 1.00 9.63 H new ATOM 1378 N ILE B 13 6.958 -11.796 4.039 1.00 10.42 N ATOM 1379 CA ILE B 13 8.015 -12.547 3.345 1.00 11.84 C ATOM 1380 C ILE B 13 9.374 -11.898 3.608 1.00 10.55 C ATOM 1381 O ILE B 13 9.497 -10.677 3.581 1.00 11.92 O ATOM 1382 CB ILE B 13 7.791 -12.575 1.818 1.00 14.86 C ATOM 1383 CG1 ILE B 13 6.292 -12.701 1.530 1.00 14.87 C ATOM 1384 CG2 ILE B 13 8.535 -13.765 1.203 1.00 17.08 C ATOM 1385 CD1 ILE B 13 6.059 -12.912 0.031 1.00 16.46 C ATOM 0 H ILE B 13 6.784 -10.864 3.662 1.00 10.42 H new ATOM 0 HA ILE B 13 7.987 -13.567 3.729 1.00 11.84 H new ATOM 0 HB ILE B 13 8.173 -11.653 1.380 1.00 14.86 H new ATOM 0 HG12 ILE B 13 5.875 -13.537 2.092 1.00 14.87 H new ATOM 0 HG13 ILE B 13 5.773 -11.802 1.863 1.00 14.87 H new ATOM 0 HG21 ILE B 13 8.372 -13.778 0.125 1.00 17.08 H new ATOM 0 HG22 ILE B 13 9.602 -13.673 1.408 1.00 17.08 H new ATOM 0 HG23 ILE B 13 8.161 -14.692 1.638 1.00 17.08 H new ATOM 0 HD11 ILE B 13 4.990 -13.000 -0.162 1.00 16.46 H new ATOM 0 HD12 ILE B 13 6.459 -12.062 -0.522 1.00 16.46 H new ATOM 0 HD13 ILE B 13 6.562 -13.824 -0.291 1.00 16.46 H new ATOM 1397 N THR B 14 10.398 -12.728 3.835 1.00 9.39 N ATOM 1398 CA THR B 14 11.753 -12.220 4.069 1.00 9.63 C ATOM 1399 C THR B 14 12.589 -12.460 2.818 1.00 11.20 C ATOM 1400 O THR B 14 12.573 -13.558 2.261 1.00 11.63 O ATOM 1401 CB THR B 14 12.389 -12.939 5.264 1.00 10.38 C ATOM 1402 OG1 THR B 14 11.589 -12.733 6.419 1.00 16.30 O ATOM 1403 CG2 THR B 14 13.790 -12.379 5.513 1.00 11.66 C ATOM 0 H THR B 14 10.316 -13.744 3.862 1.00 9.39 H new ATOM 0 HA THR B 14 11.710 -11.153 4.289 1.00 9.63 H new ATOM 0 HB THR B 14 12.457 -14.006 5.050 1.00 10.38 H new ATOM 0 HG1 THR B 14 11.606 -11.784 6.664 1.00 16.30 H new ATOM 0 HG21 THR B 14 14.241 -12.891 6.363 1.00 11.66 H new ATOM 0 HG22 THR B 14 14.406 -12.534 4.627 1.00 11.66 H new ATOM 0 HG23 THR B 14 13.723 -11.312 5.726 1.00 11.66 H new ATOM 1411 N LEU B 15 13.308 -11.431 2.363 1.00 8.29 N ATOM 1412 CA LEU B 15 14.134 -11.552 1.153 1.00 9.03 C ATOM 1413 C LEU B 15 15.563 -11.109 1.434 1.00 8.59 C ATOM 1414 O LEU B 15 15.791 -10.208 2.240 1.00 7.79 O ATOM 1415 CB LEU B 15 13.554 -10.668 0.044 1.00 11.08 C ATOM 1416 CG LEU B 15 12.103 -11.070 -0.256 1.00 15.79 C ATOM 1417 CD1 LEU B 15 11.479 -10.026 -1.188 1.00 15.88 C ATOM 1418 CD2 LEU B 15 12.058 -12.448 -0.932 1.00 15.27 C ATOM 0 H LEU B 15 13.337 -10.513 2.806 1.00 8.29 H new ATOM 0 HA LEU B 15 14.136 -12.596 0.841 1.00 9.03 H new ATOM 0 HB2 LEU B 15 13.593 -9.621 0.346 1.00 11.08 H new ATOM 0 HB3 LEU B 15 14.158 -10.762 -0.858 1.00 11.08 H new ATOM 0 HG LEU B 15 11.545 -11.120 0.679 1.00 15.79 H new ATOM 0 HD11 LEU B 15 10.448 -10.303 -1.407 1.00 15.88 H new ATOM 0 HD12 LEU B 15 11.497 -9.049 -0.704 1.00 15.88 H new ATOM 0 HD13 LEU B 15 12.047 -9.981 -2.117 1.00 15.88 H new ATOM 0 HD21 LEU B 15 11.022 -12.719 -1.138 1.00 15.27 H new ATOM 0 HD22 LEU B 15 12.617 -12.413 -1.867 1.00 15.27 H new ATOM 0 HD23 LEU B 15 12.503 -13.192 -0.271 1.00 15.27 H new ATOM 1430 N GLU B 16 16.522 -11.694 0.713 1.00 11.04 N ATOM 1431 CA GLU B 16 17.924 -11.288 0.844 1.00 11.50 C ATOM 1432 C GLU B 16 18.221 -10.383 -0.344 1.00 10.13 C ATOM 1433 O GLU B 16 18.039 -10.784 -1.494 1.00 9.83 O ATOM 1434 CB GLU B 16 18.858 -12.503 0.842 1.00 17.22 C ATOM 1435 CG GLU B 16 20.308 -12.038 0.991 1.00 23.33 C ATOM 1436 CD GLU B 16 21.244 -13.241 0.989 1.00 26.99 C ATOM 1437 OE1 GLU B 16 20.777 -14.330 0.698 1.00 28.86 O ATOM 1438 OE2 GLU B 16 22.415 -13.057 1.281 1.00 28.90 O ATOM 0 H GLU B 16 16.357 -12.442 0.040 1.00 11.04 H new ATOM 0 HA GLU B 16 18.089 -10.772 1.790 1.00 11.50 H new ATOM 0 HB2 GLU B 16 18.596 -13.177 1.658 1.00 17.22 H new ATOM 0 HB3 GLU B 16 18.739 -13.064 -0.085 1.00 17.22 H new ATOM 0 HG2 GLU B 16 20.568 -11.363 0.175 1.00 23.33 H new ATOM 0 HG3 GLU B 16 20.425 -11.477 1.918 1.00 23.33 H new ATOM 1445 N VAL B 17 18.651 -9.152 -0.071 1.00 8.99 N ATOM 1446 CA VAL B 17 18.933 -8.194 -1.141 1.00 8.85 C ATOM 1447 C VAL B 17 20.182 -7.375 -0.853 1.00 8.04 C ATOM 1448 O VAL B 17 20.688 -7.344 0.268 1.00 8.99 O ATOM 1449 CB VAL B 17 17.754 -7.233 -1.290 1.00 9.78 C ATOM 1450 CG1 VAL B 17 16.494 -8.002 -1.691 1.00 12.05 C ATOM 1451 CG2 VAL B 17 17.522 -6.524 0.047 1.00 10.54 C ATOM 0 H VAL B 17 18.811 -8.796 0.872 1.00 8.99 H new ATOM 0 HA VAL B 17 19.092 -8.764 -2.056 1.00 8.85 H new ATOM 0 HB VAL B 17 17.977 -6.501 -2.066 1.00 9.78 H new ATOM 0 HG11 VAL B 17 15.661 -7.307 -1.794 1.00 12.05 H new ATOM 0 HG12 VAL B 17 16.664 -8.508 -2.641 1.00 12.05 H new ATOM 0 HG13 VAL B 17 16.258 -8.740 -0.924 1.00 12.05 H new ATOM 0 HG21 VAL B 17 16.683 -5.835 -0.047 1.00 10.54 H new ATOM 0 HG22 VAL B 17 17.300 -7.263 0.817 1.00 10.54 H new ATOM 0 HG23 VAL B 17 18.418 -5.968 0.324 1.00 10.54 H new ATOM 1461 N GLU B 18 20.632 -6.671 -1.888 1.00 7.29 N ATOM 1462 CA GLU B 18 21.787 -5.780 -1.789 1.00 7.08 C ATOM 1463 C GLU B 18 21.295 -4.364 -2.109 1.00 6.45 C ATOM 1464 O GLU B 18 20.330 -4.225 -2.859 1.00 5.28 O ATOM 1465 CB GLU B 18 22.867 -6.200 -2.790 1.00 10.28 C ATOM 1466 CG GLU B 18 23.449 -7.558 -2.387 1.00 12.65 C ATOM 1467 CD GLU B 18 24.425 -7.386 -1.229 1.00 14.15 C ATOM 1468 OE1 GLU B 18 25.564 -7.029 -1.487 1.00 14.33 O ATOM 1469 OE2 GLU B 18 24.022 -7.614 -0.101 1.00 18.17 O ATOM 0 H GLU B 18 20.209 -6.701 -2.816 1.00 7.29 H new ATOM 0 HA GLU B 18 22.222 -5.823 -0.791 1.00 7.08 H new ATOM 0 HB2 GLU B 18 22.443 -6.259 -3.793 1.00 10.28 H new ATOM 0 HB3 GLU B 18 23.658 -5.450 -2.822 1.00 10.28 H new ATOM 0 HG2 GLU B 18 22.646 -8.236 -2.098 1.00 12.65 H new ATOM 0 HG3 GLU B 18 23.958 -8.011 -3.238 1.00 12.65 H new ATOM 1476 N PRO B 19 21.882 -3.309 -1.584 1.00 7.24 N ATOM 1477 CA PRO B 19 21.385 -1.946 -1.891 1.00 7.07 C ATOM 1478 C PRO B 19 21.396 -1.638 -3.387 1.00 6.65 C ATOM 1479 O PRO B 19 20.651 -0.774 -3.856 1.00 6.37 O ATOM 1480 CB PRO B 19 22.308 -0.984 -1.114 1.00 7.61 C ATOM 1481 CG PRO B 19 22.957 -1.852 -0.074 1.00 8.16 C ATOM 1482 CD PRO B 19 23.038 -3.265 -0.673 1.00 7.49 C ATOM 0 HA PRO B 19 20.342 -1.842 -1.593 1.00 7.07 H new ATOM 0 HB2 PRO B 19 23.049 -0.527 -1.770 1.00 7.61 H new ATOM 0 HB3 PRO B 19 21.742 -0.172 -0.658 1.00 7.61 H new ATOM 0 HG2 PRO B 19 23.950 -1.480 0.177 1.00 8.16 H new ATOM 0 HG3 PRO B 19 22.375 -1.854 0.848 1.00 8.16 H new ATOM 0 HD2 PRO B 19 23.976 -3.424 -1.204 1.00 7.49 H new ATOM 0 HD3 PRO B 19 22.974 -4.034 0.097 1.00 7.49 H new ATOM 1490 N SER B 20 22.255 -2.336 -4.129 1.00 6.80 N ATOM 1491 CA SER B 20 22.370 -2.119 -5.570 1.00 6.28 C ATOM 1492 C SER B 20 21.344 -2.927 -6.355 1.00 8.45 C ATOM 1493 O SER B 20 21.274 -2.810 -7.579 1.00 7.26 O ATOM 1494 CB SER B 20 23.774 -2.483 -6.047 1.00 8.57 C ATOM 1495 OG SER B 20 24.117 -3.776 -5.567 1.00 11.13 O ATOM 0 H SER B 20 22.878 -3.053 -3.758 1.00 6.80 H new ATOM 0 HA SER B 20 22.177 -1.062 -5.752 1.00 6.28 H new ATOM 0 HB2 SER B 20 23.816 -2.465 -7.136 1.00 8.57 H new ATOM 0 HB3 SER B 20 24.494 -1.747 -5.688 1.00 8.57 H new ATOM 0 HG SER B 20 25.017 -4.011 -5.874 1.00 11.13 H new ATOM 1501 N ASP B 21 20.527 -3.727 -5.672 1.00 7.50 N ATOM 1502 CA ASP B 21 19.508 -4.500 -6.369 1.00 7.70 C ATOM 1503 C ASP B 21 18.447 -3.535 -6.864 1.00 7.08 C ATOM 1504 O ASP B 21 18.082 -2.563 -6.188 1.00 8.11 O ATOM 1505 CB ASP B 21 18.882 -5.531 -5.422 1.00 11.00 C ATOM 1506 CG ASP B 21 19.813 -6.728 -5.243 1.00 15.32 C ATOM 1507 OD1 ASP B 21 20.682 -6.913 -6.078 1.00 18.03 O ATOM 1508 OD2 ASP B 21 19.642 -7.442 -4.269 1.00 14.36 O ATOM 0 H ASP B 21 20.550 -3.854 -4.660 1.00 7.50 H new ATOM 0 HA ASP B 21 19.952 -5.038 -7.207 1.00 7.70 H new ATOM 0 HB2 ASP B 21 18.682 -5.070 -4.454 1.00 11.00 H new ATOM 0 HB3 ASP B 21 17.924 -5.865 -5.820 1.00 11.00 H new ATOM 1513 N THR B 22 17.933 -3.850 -8.053 1.00 5.37 N ATOM 1514 CA THR B 22 16.881 -3.058 -8.662 1.00 6.01 C ATOM 1515 C THR B 22 15.523 -3.530 -8.166 1.00 8.01 C ATOM 1516 O THR B 22 15.365 -4.671 -7.747 1.00 8.11 O ATOM 1517 CB THR B 22 16.904 -3.184 -10.181 1.00 8.92 C ATOM 1518 OG1 THR B 22 16.671 -4.536 -10.547 1.00 10.22 O ATOM 1519 CG2 THR B 22 18.245 -2.720 -10.753 1.00 9.65 C ATOM 0 H THR B 22 18.233 -4.651 -8.609 1.00 5.37 H new ATOM 0 HA THR B 22 17.050 -2.018 -8.384 1.00 6.01 H new ATOM 0 HB THR B 22 16.120 -2.547 -10.591 1.00 8.92 H new ATOM 0 HG1 THR B 22 17.182 -4.749 -11.356 1.00 10.22 H new ATOM 0 HG21 THR B 22 18.232 -2.821 -11.838 1.00 9.65 H new ATOM 0 HG22 THR B 22 18.412 -1.676 -10.488 1.00 9.65 H new ATOM 0 HG23 THR B 22 19.048 -3.332 -10.341 1.00 9.65 H new ATOM 1527 N ILE B 23 14.546 -2.650 -8.249 1.00 8.32 N ATOM 1528 CA ILE B 23 13.186 -2.986 -7.846 1.00 9.92 C ATOM 1529 C ILE B 23 12.663 -4.123 -8.728 1.00 10.01 C ATOM 1530 O ILE B 23 12.009 -5.040 -8.238 1.00 8.71 O ATOM 1531 CB ILE B 23 12.308 -1.738 -7.949 1.00 10.78 C ATOM 1532 CG1 ILE B 23 12.764 -0.678 -6.930 1.00 11.38 C ATOM 1533 CG2 ILE B 23 10.837 -2.098 -7.725 1.00 10.90 C ATOM 1534 CD1 ILE B 23 12.730 -1.222 -5.500 1.00 12.30 C ATOM 0 H ILE B 23 14.663 -1.696 -8.591 1.00 8.32 H new ATOM 0 HA ILE B 23 13.167 -3.328 -6.811 1.00 9.92 H new ATOM 0 HB ILE B 23 12.412 -1.323 -8.951 1.00 10.78 H new ATOM 0 HG12 ILE B 23 13.775 -0.351 -7.172 1.00 11.38 H new ATOM 0 HG13 ILE B 23 12.120 0.198 -7.002 1.00 11.38 H new ATOM 0 HG21 ILE B 23 10.226 -1.198 -7.802 1.00 10.90 H new ATOM 0 HG22 ILE B 23 10.519 -2.817 -8.480 1.00 10.90 H new ATOM 0 HG23 ILE B 23 10.716 -2.535 -6.734 1.00 10.90 H new ATOM 0 HD11 ILE B 23 13.058 -0.447 -4.808 1.00 12.30 H new ATOM 0 HD12 ILE B 23 11.713 -1.525 -5.250 1.00 12.30 H new ATOM 0 HD13 ILE B 23 13.394 -2.083 -5.422 1.00 12.30 H new ATOM 1546 N GLU B 24 12.979 -4.077 -10.024 1.00 9.54 N ATOM 1547 CA GLU B 24 12.556 -5.142 -10.937 1.00 11.81 C ATOM 1548 C GLU B 24 13.151 -6.464 -10.457 1.00 11.14 C ATOM 1549 O GLU B 24 12.503 -7.504 -10.524 1.00 10.62 O ATOM 1550 CB GLU B 24 13.026 -4.844 -12.364 1.00 19.24 C ATOM 1551 CG GLU B 24 12.564 -5.956 -13.309 1.00 27.76 C ATOM 1552 CD GLU B 24 13.001 -5.640 -14.737 1.00 32.92 C ATOM 1553 OE1 GLU B 24 13.768 -4.706 -14.907 1.00 34.80 O ATOM 1554 OE2 GLU B 24 12.564 -6.337 -15.636 1.00 36.51 O ATOM 0 H GLU B 24 13.517 -3.328 -10.460 1.00 9.54 H new ATOM 0 HA GLU B 24 11.468 -5.204 -10.943 1.00 11.81 H new ATOM 0 HB2 GLU B 24 12.627 -3.885 -12.695 1.00 19.24 H new ATOM 0 HB3 GLU B 24 14.113 -4.762 -12.388 1.00 19.24 H new ATOM 0 HG2 GLU B 24 12.984 -6.911 -12.994 1.00 27.76 H new ATOM 0 HG3 GLU B 24 11.479 -6.055 -13.265 1.00 27.76 H new ATOM 1561 N ASN B 25 14.389 -6.412 -9.973 1.00 9.43 N ATOM 1562 CA ASN B 25 15.037 -7.629 -9.487 1.00 10.96 C ATOM 1563 C ASN B 25 14.301 -8.129 -8.246 1.00 9.68 C ATOM 1564 O ASN B 25 14.094 -9.328 -8.081 1.00 9.33 O ATOM 1565 CB ASN B 25 16.505 -7.370 -9.143 1.00 16.78 C ATOM 1566 CG ASN B 25 17.300 -7.130 -10.420 1.00 22.31 C ATOM 1567 OD1 ASN B 25 16.732 -6.746 -11.443 1.00 25.66 O ATOM 1568 ND2 ASN B 25 18.585 -7.344 -10.427 1.00 24.70 N ATOM 0 H ASN B 25 14.953 -5.564 -9.907 1.00 9.43 H new ATOM 0 HA ASN B 25 14.999 -8.382 -10.274 1.00 10.96 H new ATOM 0 HB2 ASN B 25 16.587 -6.505 -8.485 1.00 16.78 H new ATOM 0 HB3 ASN B 25 16.917 -8.222 -8.602 1.00 16.78 H new ATOM 0 HD21 ASN B 25 19.122 -7.194 -11.281 1.00 24.70 H new ATOM 0 HD22 ASN B 25 19.054 -7.662 -9.579 1.00 24.70 H new ATOM 1575 N VAL B 26 13.895 -7.197 -7.384 1.00 6.52 N ATOM 1576 CA VAL B 26 13.167 -7.560 -6.172 1.00 5.53 C ATOM 1577 C VAL B 26 11.836 -8.216 -6.543 1.00 4.42 C ATOM 1578 O VAL B 26 11.464 -9.236 -5.962 1.00 3.40 O ATOM 1579 CB VAL B 26 12.930 -6.337 -5.282 1.00 3.86 C ATOM 1580 CG1 VAL B 26 12.008 -6.712 -4.119 1.00 7.25 C ATOM 1581 CG2 VAL B 26 14.266 -5.823 -4.741 1.00 8.12 C ATOM 0 H VAL B 26 14.056 -6.197 -7.501 1.00 6.52 H new ATOM 0 HA VAL B 26 13.771 -8.270 -5.608 1.00 5.53 H new ATOM 0 HB VAL B 26 12.458 -5.552 -5.872 1.00 3.86 H new ATOM 0 HG11 VAL B 26 11.843 -5.838 -3.489 1.00 7.25 H new ATOM 0 HG12 VAL B 26 11.053 -7.063 -4.510 1.00 7.25 H new ATOM 0 HG13 VAL B 26 12.471 -7.503 -3.528 1.00 7.25 H new ATOM 0 HG21 VAL B 26 14.092 -4.953 -4.108 1.00 8.12 H new ATOM 0 HG22 VAL B 26 14.747 -6.607 -4.156 1.00 8.12 H new ATOM 0 HG23 VAL B 26 14.912 -5.543 -5.573 1.00 8.12 H new ATOM 1591 N LYS B 27 11.122 -7.647 -7.527 1.00 2.64 N ATOM 1592 CA LYS B 27 9.851 -8.216 -7.964 1.00 4.14 C ATOM 1593 C LYS B 27 10.083 -9.637 -8.470 1.00 5.58 C ATOM 1594 O LYS B 27 9.277 -10.531 -8.233 1.00 4.11 O ATOM 1595 CB LYS B 27 9.258 -7.418 -9.127 1.00 3.97 C ATOM 1596 CG LYS B 27 8.773 -6.016 -8.697 1.00 7.45 C ATOM 1597 CD LYS B 27 7.505 -5.663 -9.507 1.00 9.02 C ATOM 1598 CE LYS B 27 7.273 -4.146 -9.503 1.00 12.90 C ATOM 1599 NZ LYS B 27 7.017 -3.686 -8.109 1.00 15.47 N ATOM 0 H LYS B 27 11.404 -6.803 -8.026 1.00 2.64 H new ATOM 0 HA LYS B 27 9.169 -8.195 -7.114 1.00 4.14 H new ATOM 0 HB2 LYS B 27 10.007 -7.315 -9.912 1.00 3.97 H new ATOM 0 HB3 LYS B 27 8.423 -7.972 -9.555 1.00 3.97 H new ATOM 0 HG2 LYS B 27 8.556 -6.002 -7.629 1.00 7.45 H new ATOM 0 HG3 LYS B 27 9.553 -5.275 -8.873 1.00 7.45 H new ATOM 0 HD2 LYS B 27 7.610 -6.019 -10.532 1.00 9.02 H new ATOM 0 HD3 LYS B 27 6.640 -6.171 -9.080 1.00 9.02 H new ATOM 0 HE2 LYS B 27 8.143 -3.633 -9.912 1.00 12.90 H new ATOM 0 HE3 LYS B 27 6.426 -3.895 -10.141 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 6.131 -3.142 -8.080 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 6.937 -4.511 -7.480 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 7.804 -3.084 -7.792 1.00 15.47 H new ATOM 1613 N ALA B 28 11.190 -9.822 -9.187 1.00 6.61 N ATOM 1614 CA ALA B 28 11.511 -11.131 -9.741 1.00 7.74 C ATOM 1615 C ALA B 28 11.709 -12.146 -8.623 1.00 9.17 C ATOM 1616 O ALA B 28 11.299 -13.300 -8.741 1.00 11.45 O ATOM 1617 CB ALA B 28 12.757 -11.055 -10.627 1.00 7.68 C ATOM 0 H ALA B 28 11.870 -9.091 -9.395 1.00 6.61 H new ATOM 0 HA ALA B 28 10.675 -11.456 -10.360 1.00 7.74 H new ATOM 0 HB1 ALA B 28 12.978 -12.043 -11.030 1.00 7.68 H new ATOM 0 HB2 ALA B 28 12.578 -10.360 -11.448 1.00 7.68 H new ATOM 0 HB3 ALA B 28 13.604 -10.707 -10.035 1.00 7.68 H new ATOM 1623 N LYS B 29 12.320 -11.709 -7.532 1.00 8.96 N ATOM 1624 CA LYS B 29 12.540 -12.592 -6.395 1.00 7.90 C ATOM 1625 C LYS B 29 11.195 -12.987 -5.779 1.00 6.92 C ATOM 1626 O LYS B 29 10.991 -14.141 -5.413 1.00 6.87 O ATOM 1627 CB LYS B 29 13.403 -11.894 -5.342 1.00 10.28 C ATOM 1628 CG LYS B 29 14.833 -11.743 -5.865 1.00 14.94 C ATOM 1629 CD LYS B 29 15.689 -11.042 -4.802 1.00 19.69 C ATOM 1630 CE LYS B 29 17.139 -10.875 -5.299 1.00 22.63 C ATOM 1631 NZ LYS B 29 17.972 -11.997 -4.782 1.00 24.98 N ATOM 0 H LYS B 29 12.669 -10.759 -7.409 1.00 8.96 H new ATOM 0 HA LYS B 29 13.058 -13.487 -6.740 1.00 7.90 H new ATOM 0 HB2 LYS B 29 12.986 -10.915 -5.107 1.00 10.28 H new ATOM 0 HB3 LYS B 29 13.403 -12.471 -4.417 1.00 10.28 H new ATOM 0 HG2 LYS B 29 15.252 -12.722 -6.099 1.00 14.94 H new ATOM 0 HG3 LYS B 29 14.836 -11.166 -6.790 1.00 14.94 H new ATOM 0 HD2 LYS B 29 15.263 -10.066 -4.570 1.00 19.69 H new ATOM 0 HD3 LYS B 29 15.679 -11.622 -3.879 1.00 19.69 H new ATOM 0 HE2 LYS B 29 17.162 -10.862 -6.389 1.00 22.63 H new ATOM 0 HE3 LYS B 29 17.544 -9.921 -4.960 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 18.950 -11.886 -5.116 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 17.959 -11.989 -3.742 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 17.589 -12.901 -5.126 1.00 24.98 H new ATOM 1645 N ILE B 30 10.258 -12.027 -5.719 1.00 4.57 N ATOM 1646 CA ILE B 30 8.912 -12.292 -5.198 1.00 5.58 C ATOM 1647 C ILE B 30 8.192 -13.284 -6.116 1.00 7.26 C ATOM 1648 O ILE B 30 7.495 -14.174 -5.638 1.00 9.46 O ATOM 1649 CB ILE B 30 8.121 -10.987 -5.052 1.00 5.36 C ATOM 1650 CG1 ILE B 30 8.742 -10.189 -3.892 1.00 2.94 C ATOM 1651 CG2 ILE B 30 6.646 -11.311 -4.753 1.00 2.78 C ATOM 1652 CD1 ILE B 30 7.984 -8.881 -3.661 1.00 2.00 C ATOM 0 H ILE B 30 10.409 -11.065 -6.024 1.00 4.57 H new ATOM 0 HA ILE B 30 8.992 -12.736 -4.206 1.00 5.58 H new ATOM 0 HB ILE B 30 8.163 -10.402 -5.971 1.00 5.36 H new ATOM 0 HG12 ILE B 30 8.725 -10.789 -2.982 1.00 2.94 H new ATOM 0 HG13 ILE B 30 9.788 -9.974 -4.112 1.00 2.94 H new ATOM 0 HG21 ILE B 30 6.083 -10.383 -4.649 1.00 2.78 H new ATOM 0 HG22 ILE B 30 6.229 -11.898 -5.571 1.00 2.78 H new ATOM 0 HG23 ILE B 30 6.579 -11.881 -3.827 1.00 2.78 H new ATOM 0 HD11 ILE B 30 8.442 -8.336 -2.836 1.00 2.00 H new ATOM 0 HD12 ILE B 30 8.024 -8.273 -4.565 1.00 2.00 H new ATOM 0 HD13 ILE B 30 6.945 -9.101 -3.417 1.00 2.00 H new ATOM 1664 N GLN B 31 8.361 -13.137 -7.428 1.00 7.06 N ATOM 1665 CA GLN B 31 7.714 -14.043 -8.381 1.00 8.67 C ATOM 1666 C GLN B 31 8.185 -15.468 -8.121 1.00 10.90 C ATOM 1667 O GLN B 31 7.397 -16.415 -8.129 1.00 9.63 O ATOM 1668 CB GLN B 31 8.113 -13.634 -9.805 1.00 9.12 C ATOM 1669 CG GLN B 31 7.484 -14.588 -10.828 1.00 10.76 C ATOM 1670 CD GLN B 31 7.855 -14.152 -12.240 1.00 13.78 C ATOM 1671 OE1 GLN B 31 8.597 -13.185 -12.418 1.00 14.48 O ATOM 1672 NE2 GLN B 31 7.381 -14.812 -13.263 1.00 14.76 N ATOM 0 H GLN B 31 8.933 -12.408 -7.855 1.00 7.06 H new ATOM 0 HA GLN B 31 6.631 -13.989 -8.266 1.00 8.67 H new ATOM 0 HB2 GLN B 31 7.788 -12.613 -10.002 1.00 9.12 H new ATOM 0 HB3 GLN B 31 9.198 -13.648 -9.904 1.00 9.12 H new ATOM 0 HG2 GLN B 31 7.830 -15.606 -10.650 1.00 10.76 H new ATOM 0 HG3 GLN B 31 6.400 -14.595 -10.713 1.00 10.76 H new ATOM 0 HE21 GLN B 31 6.767 -15.612 -13.113 1.00 14.76 H new ATOM 0 HE22 GLN B 31 7.625 -14.527 -14.211 1.00 14.76 H new ATOM 1681 N ASP B 32 9.475 -15.598 -7.917 1.00 10.93 N ATOM 1682 CA ASP B 32 10.056 -16.909 -7.683 1.00 14.01 C ATOM 1683 C ASP B 32 9.453 -17.553 -6.434 1.00 14.04 C ATOM 1684 O ASP B 32 9.217 -18.761 -6.400 1.00 13.39 O ATOM 1685 CB ASP B 32 11.573 -16.777 -7.515 1.00 18.01 C ATOM 1686 CG ASP B 32 12.212 -18.150 -7.316 1.00 24.33 C ATOM 1687 OD1 ASP B 32 11.502 -19.069 -6.946 1.00 26.29 O ATOM 1688 OD2 ASP B 32 13.407 -18.261 -7.540 1.00 25.17 O ATOM 0 H ASP B 32 10.140 -14.825 -7.907 1.00 10.93 H new ATOM 0 HA ASP B 32 9.836 -17.545 -8.541 1.00 14.01 H new ATOM 0 HB2 ASP B 32 12.001 -16.294 -8.393 1.00 18.01 H new ATOM 0 HB3 ASP B 32 11.796 -16.139 -6.660 1.00 18.01 H new ATOM 1693 N LYS B 33 9.254 -16.747 -5.395 1.00 14.22 N ATOM 1694 CA LYS B 33 8.730 -17.253 -4.125 1.00 14.00 C ATOM 1695 C LYS B 33 7.200 -17.416 -4.088 1.00 12.37 C ATOM 1696 O LYS B 33 6.704 -18.350 -3.460 1.00 12.17 O ATOM 1697 CB LYS B 33 9.123 -16.305 -2.987 1.00 18.62 C ATOM 1698 CG LYS B 33 10.660 -16.094 -2.942 1.00 24.00 C ATOM 1699 CD LYS B 33 11.162 -16.194 -1.496 1.00 27.61 C ATOM 1700 CE LYS B 33 12.651 -15.850 -1.445 1.00 27.64 C ATOM 1701 NZ LYS B 33 13.124 -15.902 -0.033 1.00 30.06 N ATOM 0 H LYS B 33 9.446 -15.745 -5.404 1.00 14.22 H new ATOM 0 HA LYS B 33 9.168 -18.244 -4.009 1.00 14.00 H new ATOM 0 HB2 LYS B 33 8.625 -15.345 -3.121 1.00 18.62 H new ATOM 0 HB3 LYS B 33 8.781 -16.712 -2.036 1.00 18.62 H new ATOM 0 HG2 LYS B 33 11.156 -16.842 -3.560 1.00 24.00 H new ATOM 0 HG3 LYS B 33 10.914 -15.118 -3.357 1.00 24.00 H new ATOM 0 HD2 LYS B 33 10.599 -15.513 -0.857 1.00 27.61 H new ATOM 0 HD3 LYS B 33 10.998 -17.201 -1.112 1.00 27.61 H new ATOM 0 HE2 LYS B 33 13.219 -16.552 -2.056 1.00 27.64 H new ATOM 0 HE3 LYS B 33 12.820 -14.857 -1.860 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 14.144 -15.701 -0.001 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 12.614 -15.192 0.530 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 12.945 -16.849 0.358 1.00 30.06 H new ATOM 1715 N GLU B 34 6.450 -16.468 -4.666 1.00 10.11 N ATOM 1716 CA GLU B 34 4.972 -16.500 -4.571 1.00 10.07 C ATOM 1717 C GLU B 34 4.212 -16.806 -5.872 1.00 9.32 C ATOM 1718 O GLU B 34 3.031 -17.152 -5.834 1.00 11.61 O ATOM 1719 CB GLU B 34 4.521 -15.146 -4.005 1.00 14.77 C ATOM 1720 CG GLU B 34 5.045 -15.012 -2.567 1.00 18.75 C ATOM 1721 CD GLU B 34 4.309 -15.972 -1.639 1.00 22.28 C ATOM 1722 OE1 GLU B 34 3.229 -16.406 -2.004 1.00 21.95 O ATOM 1723 OE2 GLU B 34 4.838 -16.262 -0.578 1.00 25.19 O ATOM 0 H GLU B 34 6.826 -15.682 -5.196 1.00 10.11 H new ATOM 0 HA GLU B 34 4.722 -17.341 -3.924 1.00 10.07 H new ATOM 0 HB2 GLU B 34 4.902 -14.333 -4.623 1.00 14.77 H new ATOM 0 HB3 GLU B 34 3.433 -15.074 -4.019 1.00 14.77 H new ATOM 0 HG2 GLU B 34 6.114 -15.221 -2.542 1.00 18.75 H new ATOM 0 HG3 GLU B 34 4.913 -13.987 -2.219 1.00 18.75 H new ATOM 1730 N GLY B 35 4.892 -16.715 -7.010 1.00 7.22 N ATOM 1731 CA GLY B 35 4.258 -17.029 -8.296 1.00 6.29 C ATOM 1732 C GLY B 35 3.442 -15.861 -8.865 1.00 6.93 C ATOM 1733 O GLY B 35 2.685 -16.027 -9.821 1.00 7.41 O ATOM 0 H GLY B 35 5.869 -16.431 -7.074 1.00 7.22 H new ATOM 0 HA2 GLY B 35 5.028 -17.311 -9.015 1.00 6.29 H new ATOM 0 HA3 GLY B 35 3.606 -17.894 -8.172 1.00 6.29 H new ATOM 1737 N ILE B 36 3.602 -14.691 -8.266 1.00 5.86 N ATOM 1738 CA ILE B 36 2.872 -13.500 -8.714 1.00 6.07 C ATOM 1739 C ILE B 36 3.652 -12.807 -9.848 1.00 6.36 C ATOM 1740 O ILE B 36 4.770 -12.345 -9.612 1.00 6.18 O ATOM 1741 CB ILE B 36 2.737 -12.521 -7.538 1.00 7.47 C ATOM 1742 CG1 ILE B 36 2.159 -13.241 -6.297 1.00 8.52 C ATOM 1743 CG2 ILE B 36 1.797 -11.374 -7.939 1.00 7.36 C ATOM 1744 CD1 ILE B 36 2.583 -12.498 -5.025 1.00 9.49 C ATOM 0 H ILE B 36 4.225 -14.534 -7.473 1.00 5.86 H new ATOM 0 HA ILE B 36 1.887 -13.796 -9.074 1.00 6.07 H new ATOM 0 HB ILE B 36 3.724 -12.129 -7.291 1.00 7.47 H new ATOM 0 HG12 ILE B 36 1.072 -13.281 -6.361 1.00 8.52 H new ATOM 0 HG13 ILE B 36 2.514 -14.271 -6.264 1.00 8.52 H new ATOM 0 HG21 ILE B 36 1.698 -10.677 -7.107 1.00 7.36 H new ATOM 0 HG22 ILE B 36 2.208 -10.852 -8.803 1.00 7.36 H new ATOM 0 HG23 ILE B 36 0.817 -11.778 -8.192 1.00 7.36 H new ATOM 0 HD11 ILE B 36 2.174 -13.008 -4.153 1.00 9.49 H new ATOM 0 HD12 ILE B 36 3.671 -12.481 -4.959 1.00 9.49 H new ATOM 0 HD13 ILE B 36 2.206 -11.476 -5.058 1.00 9.49 H new ATOM 1756 N PRO B 37 3.126 -12.705 -11.059 1.00 8.65 N ATOM 1757 CA PRO B 37 3.870 -12.029 -12.168 1.00 9.18 C ATOM 1758 C PRO B 37 4.217 -10.557 -11.826 1.00 9.85 C ATOM 1759 O PRO B 37 3.366 -9.828 -11.319 1.00 8.51 O ATOM 1760 CB PRO B 37 2.927 -12.119 -13.383 1.00 11.42 C ATOM 1761 CG PRO B 37 1.937 -13.192 -13.045 1.00 9.27 C ATOM 1762 CD PRO B 37 1.816 -13.210 -11.518 1.00 8.33 C ATOM 0 HA PRO B 37 4.832 -12.506 -12.356 1.00 9.18 H new ATOM 0 HB2 PRO B 37 2.427 -11.167 -13.563 1.00 11.42 H new ATOM 0 HB3 PRO B 37 3.479 -12.366 -14.290 1.00 11.42 H new ATOM 0 HG2 PRO B 37 0.971 -12.988 -13.508 1.00 9.27 H new ATOM 0 HG3 PRO B 37 2.272 -14.160 -13.419 1.00 9.27 H new ATOM 0 HD2 PRO B 37 0.999 -12.576 -11.173 1.00 8.33 H new ATOM 0 HD3 PRO B 37 1.620 -14.215 -11.143 1.00 8.33 H new ATOM 1770 N PRO B 38 5.445 -10.107 -12.084 1.00 8.71 N ATOM 1771 CA PRO B 38 5.874 -8.698 -11.775 1.00 9.08 C ATOM 1772 C PRO B 38 4.909 -7.614 -12.283 1.00 9.28 C ATOM 1773 O PRO B 38 4.819 -6.548 -11.674 1.00 6.50 O ATOM 1774 CB PRO B 38 7.231 -8.559 -12.481 1.00 10.31 C ATOM 1775 CG PRO B 38 7.777 -9.943 -12.554 1.00 10.81 C ATOM 1776 CD PRO B 38 6.569 -10.878 -12.674 1.00 12.00 C ATOM 0 HA PRO B 38 5.906 -8.545 -10.696 1.00 9.08 H new ATOM 0 HB2 PRO B 38 7.115 -8.128 -13.476 1.00 10.31 H new ATOM 0 HB3 PRO B 38 7.899 -7.901 -11.925 1.00 10.31 H new ATOM 0 HG2 PRO B 38 8.441 -10.054 -13.411 1.00 10.81 H new ATOM 0 HG3 PRO B 38 8.363 -10.177 -11.665 1.00 10.81 H new ATOM 0 HD2 PRO B 38 6.370 -11.138 -13.714 1.00 12.00 H new ATOM 0 HD3 PRO B 38 6.735 -11.812 -12.138 1.00 12.00 H new ATOM 1784 N ASP B 39 4.219 -7.846 -13.388 1.00 11.20 N ATOM 1785 CA ASP B 39 3.317 -6.823 -13.921 1.00 14.96 C ATOM 1786 C ASP B 39 2.073 -6.644 -13.052 1.00 13.99 C ATOM 1787 O ASP B 39 1.363 -5.648 -13.181 1.00 13.75 O ATOM 1788 CB ASP B 39 2.924 -7.150 -15.366 1.00 24.16 C ATOM 1789 CG ASP B 39 4.122 -6.966 -16.293 1.00 31.06 C ATOM 1790 OD1 ASP B 39 4.987 -6.170 -15.965 1.00 35.55 O ATOM 1791 OD2 ASP B 39 4.159 -7.628 -17.318 1.00 34.22 O ATOM 0 H ASP B 39 4.259 -8.711 -13.927 1.00 11.20 H new ATOM 0 HA ASP B 39 3.858 -5.877 -13.909 1.00 14.96 H new ATOM 0 HB2 ASP B 39 2.561 -8.176 -15.428 1.00 24.16 H new ATOM 0 HB3 ASP B 39 2.107 -6.503 -15.684 1.00 24.16 H new ATOM 1796 N GLN B 40 1.801 -7.610 -12.174 1.00 11.60 N ATOM 1797 CA GLN B 40 0.620 -7.534 -11.302 1.00 10.76 C ATOM 1798 C GLN B 40 0.983 -7.055 -9.899 1.00 8.01 C ATOM 1799 O GLN B 40 0.128 -6.998 -9.016 1.00 8.96 O ATOM 1800 CB GLN B 40 -0.056 -8.902 -11.202 1.00 11.14 C ATOM 1801 CG GLN B 40 -0.691 -9.254 -12.543 1.00 14.85 C ATOM 1802 CD GLN B 40 -1.435 -10.581 -12.438 1.00 16.11 C ATOM 1803 OE1 GLN B 40 -1.054 -11.448 -11.651 1.00 20.52 O ATOM 1804 NE2 GLN B 40 -2.482 -10.792 -13.188 1.00 18.16 N ATOM 0 H GLN B 40 2.372 -8.446 -12.045 1.00 11.60 H new ATOM 0 HA GLN B 40 -0.064 -6.812 -11.749 1.00 10.76 H new ATOM 0 HB2 GLN B 40 0.675 -9.661 -10.923 1.00 11.14 H new ATOM 0 HB3 GLN B 40 -0.815 -8.888 -10.420 1.00 11.14 H new ATOM 0 HG2 GLN B 40 -1.379 -8.465 -12.846 1.00 14.85 H new ATOM 0 HG3 GLN B 40 0.078 -9.319 -13.313 1.00 14.85 H new ATOM 0 HE21 GLN B 40 -2.796 -10.073 -13.839 1.00 18.16 H new ATOM 0 HE22 GLN B 40 -2.986 -11.676 -13.123 1.00 18.16 H new ATOM 1813 N GLN B 41 2.258 -6.751 -9.686 1.00 6.52 N ATOM 1814 CA GLN B 41 2.731 -6.322 -8.364 1.00 3.87 C ATOM 1815 C GLN B 41 3.083 -4.833 -8.284 1.00 4.79 C ATOM 1816 O GLN B 41 3.730 -4.277 -9.172 1.00 6.34 O ATOM 1817 CB GLN B 41 3.983 -7.129 -8.008 1.00 4.20 C ATOM 1818 CG GLN B 41 3.601 -8.558 -7.639 1.00 3.20 C ATOM 1819 CD GLN B 41 4.852 -9.327 -7.227 1.00 4.89 C ATOM 1820 OE1 GLN B 41 5.471 -9.008 -6.214 1.00 5.21 O ATOM 1821 NE2 GLN B 41 5.263 -10.327 -7.959 1.00 7.13 N ATOM 0 H GLN B 41 2.983 -6.791 -10.403 1.00 6.52 H new ATOM 0 HA GLN B 41 1.911 -6.495 -7.667 1.00 3.87 H new ATOM 0 HB2 GLN B 41 4.672 -7.136 -8.852 1.00 4.20 H new ATOM 0 HB3 GLN B 41 4.504 -6.657 -7.175 1.00 4.20 H new ATOM 0 HG2 GLN B 41 2.878 -8.554 -6.823 1.00 3.20 H new ATOM 0 HG3 GLN B 41 3.122 -9.048 -8.486 1.00 3.20 H new ATOM 0 HE21 GLN B 41 4.748 -10.590 -8.799 1.00 7.13 H new ATOM 0 HE22 GLN B 41 6.099 -10.845 -7.691 1.00 7.13 H new ATOM 1830 N ARG B 42 2.701 -4.227 -7.155 1.00 5.73 N ATOM 1831 CA ARG B 42 3.013 -2.827 -6.857 1.00 6.97 C ATOM 1832 C ARG B 42 3.702 -2.772 -5.494 1.00 7.15 C ATOM 1833 O ARG B 42 3.159 -3.261 -4.506 1.00 7.33 O ATOM 1834 CB ARG B 42 1.754 -1.959 -6.820 1.00 13.23 C ATOM 1835 CG ARG B 42 1.216 -1.748 -8.232 1.00 21.27 C ATOM 1836 CD ARG B 42 -0.041 -0.879 -8.162 1.00 26.14 C ATOM 1837 NE ARG B 42 -0.584 -0.656 -9.499 1.00 32.26 N ATOM 1838 CZ ARG B 42 -1.371 0.384 -9.754 1.00 34.32 C ATOM 1839 NH1 ARG B 42 -1.800 1.133 -8.775 1.00 35.30 N ATOM 1840 NH2 ARG B 42 -1.715 0.658 -10.984 1.00 36.39 N ATOM 0 H ARG B 42 2.167 -4.694 -6.422 1.00 5.73 H new ATOM 0 HA ARG B 42 3.659 -2.438 -7.644 1.00 6.97 H new ATOM 0 HB2 ARG B 42 0.994 -2.435 -6.201 1.00 13.23 H new ATOM 0 HB3 ARG B 42 1.981 -0.996 -6.362 1.00 13.23 H new ATOM 0 HG2 ARG B 42 1.971 -1.268 -8.855 1.00 21.27 H new ATOM 0 HG3 ARG B 42 0.985 -2.708 -8.694 1.00 21.27 H new ATOM 0 HD2 ARG B 42 -0.790 -1.363 -7.535 1.00 26.14 H new ATOM 0 HD3 ARG B 42 0.196 0.077 -7.695 1.00 26.14 H new ATOM 0 HE ARG B 42 -0.356 -1.309 -10.249 1.00 32.26 H new ATOM 0 HH11 ARG B 42 -1.531 0.920 -7.814 1.00 35.30 H new ATOM 0 HH12 ARG B 42 -2.404 1.931 -8.971 1.00 35.30 H new ATOM 0 HH21 ARG B 42 -1.380 0.073 -11.750 1.00 36.39 H new ATOM 0 HH22 ARG B 42 -2.319 1.456 -11.179 1.00 36.39 H new ATOM 1854 N LEU B 43 4.902 -2.196 -5.434 1.00 4.65 N ATOM 1855 CA LEU B 43 5.656 -2.110 -4.176 1.00 3.51 C ATOM 1856 C LEU B 43 5.628 -0.692 -3.622 1.00 5.56 C ATOM 1857 O LEU B 43 5.904 0.276 -4.329 1.00 4.19 O ATOM 1858 CB LEU B 43 7.101 -2.564 -4.426 1.00 3.74 C ATOM 1859 CG LEU B 43 7.181 -4.071 -4.713 1.00 6.32 C ATOM 1860 CD1 LEU B 43 8.608 -4.405 -5.155 1.00 9.55 C ATOM 1861 CD2 LEU B 43 6.846 -4.877 -3.444 1.00 6.41 C ATOM 0 H LEU B 43 5.375 -1.782 -6.237 1.00 4.65 H new ATOM 0 HA LEU B 43 5.193 -2.762 -3.435 1.00 3.51 H new ATOM 0 HB2 LEU B 43 7.516 -2.011 -5.268 1.00 3.74 H new ATOM 0 HB3 LEU B 43 7.713 -2.326 -3.556 1.00 3.74 H new ATOM 0 HG LEU B 43 6.465 -4.330 -5.493 1.00 6.32 H new ATOM 0 HD11 LEU B 43 8.684 -5.472 -5.363 1.00 9.55 H new ATOM 0 HD12 LEU B 43 8.851 -3.841 -6.056 1.00 9.55 H new ATOM 0 HD13 LEU B 43 9.306 -4.140 -4.361 1.00 9.55 H new ATOM 0 HD21 LEU B 43 6.907 -5.943 -3.663 1.00 6.41 H new ATOM 0 HD22 LEU B 43 7.557 -4.627 -2.656 1.00 6.41 H new ATOM 0 HD23 LEU B 43 5.837 -4.632 -3.113 1.00 6.41 H new ATOM 1873 N ILE B 44 5.283 -0.591 -2.338 1.00 4.58 N ATOM 1874 CA ILE B 44 5.202 0.700 -1.651 1.00 5.55 C ATOM 1875 C ILE B 44 6.112 0.711 -0.423 1.00 5.46 C ATOM 1876 O ILE B 44 6.151 -0.246 0.351 1.00 6.04 O ATOM 1877 CB ILE B 44 3.740 0.971 -1.214 1.00 6.80 C ATOM 1878 CG1 ILE B 44 2.888 1.524 -2.393 1.00 10.31 C ATOM 1879 CG2 ILE B 44 3.700 1.995 -0.058 1.00 7.39 C ATOM 1880 CD1 ILE B 44 2.200 0.391 -3.158 1.00 13.90 C ATOM 0 H ILE B 44 5.054 -1.392 -1.749 1.00 4.58 H new ATOM 0 HA ILE B 44 5.529 1.480 -2.339 1.00 5.55 H new ATOM 0 HB ILE B 44 3.322 0.019 -0.885 1.00 6.80 H new ATOM 0 HG12 ILE B 44 2.138 2.216 -2.010 1.00 10.31 H new ATOM 0 HG13 ILE B 44 3.526 2.090 -3.072 1.00 10.31 H new ATOM 0 HG21 ILE B 44 2.665 2.173 0.235 1.00 7.39 H new ATOM 0 HG22 ILE B 44 4.257 1.604 0.794 1.00 7.39 H new ATOM 0 HG23 ILE B 44 4.150 2.932 -0.386 1.00 7.39 H new ATOM 0 HD11 ILE B 44 1.612 0.808 -3.976 1.00 13.90 H new ATOM 0 HD12 ILE B 44 2.953 -0.286 -3.561 1.00 13.90 H new ATOM 0 HD13 ILE B 44 1.544 -0.158 -2.483 1.00 13.90 H new ATOM 1892 N PHE B 45 6.803 1.833 -0.238 1.00 6.75 N ATOM 1893 CA PHE B 45 7.676 2.019 0.916 1.00 4.70 C ATOM 1894 C PHE B 45 7.515 3.440 1.432 1.00 6.34 C ATOM 1895 O PHE B 45 7.638 4.404 0.676 1.00 5.45 O ATOM 1896 CB PHE B 45 9.135 1.752 0.548 1.00 5.51 C ATOM 1897 CG PHE B 45 10.017 2.007 1.749 1.00 5.98 C ATOM 1898 CD1 PHE B 45 10.097 1.055 2.773 1.00 6.86 C ATOM 1899 CD2 PHE B 45 10.757 3.192 1.836 1.00 5.87 C ATOM 1900 CE1 PHE B 45 10.916 1.290 3.885 1.00 6.68 C ATOM 1901 CE2 PHE B 45 11.575 3.426 2.947 1.00 6.64 C ATOM 1902 CZ PHE B 45 11.655 2.476 3.972 1.00 6.84 C ATOM 0 H PHE B 45 6.774 2.629 -0.875 1.00 6.75 H new ATOM 0 HA PHE B 45 7.395 1.309 1.694 1.00 4.70 H new ATOM 0 HB2 PHE B 45 9.253 0.722 0.210 1.00 5.51 H new ATOM 0 HB3 PHE B 45 9.435 2.395 -0.279 1.00 5.51 H new ATOM 0 HD1 PHE B 45 9.527 0.140 2.705 1.00 6.86 H new ATOM 0 HD2 PHE B 45 10.697 3.926 1.046 1.00 5.87 H new ATOM 0 HE1 PHE B 45 10.977 0.556 4.675 1.00 6.68 H new ATOM 0 HE2 PHE B 45 12.145 4.341 3.014 1.00 6.64 H new ATOM 0 HZ PHE B 45 12.286 2.658 4.829 1.00 6.84 H new ATOM 1912 N ALA B 46 7.235 3.564 2.718 1.00 6.53 N ATOM 1913 CA ALA B 46 7.052 4.867 3.335 1.00 7.15 C ATOM 1914 C ALA B 46 6.072 5.730 2.538 1.00 9.00 C ATOM 1915 O ALA B 46 6.239 6.945 2.437 1.00 11.15 O ATOM 1916 CB ALA B 46 8.406 5.562 3.486 1.00 8.99 C ATOM 0 H ALA B 46 7.129 2.776 3.357 1.00 6.53 H new ATOM 0 HA ALA B 46 6.619 4.724 4.325 1.00 7.15 H new ATOM 0 HB1 ALA B 46 8.264 6.539 3.949 1.00 8.99 H new ATOM 0 HB2 ALA B 46 9.059 4.955 4.113 1.00 8.99 H new ATOM 0 HB3 ALA B 46 8.861 5.689 2.504 1.00 8.99 H new ATOM 1922 N GLY B 47 5.014 5.093 2.029 1.00 9.35 N ATOM 1923 CA GLY B 47 3.968 5.816 1.303 1.00 11.68 C ATOM 1924 C GLY B 47 4.286 6.106 -0.167 1.00 11.14 C ATOM 1925 O GLY B 47 3.470 6.724 -0.849 1.00 13.93 O ATOM 0 H GLY B 47 4.860 4.088 2.105 1.00 9.35 H new ATOM 0 HA2 GLY B 47 3.045 5.238 1.353 1.00 11.68 H new ATOM 0 HA3 GLY B 47 3.780 6.761 1.812 1.00 11.68 H new ATOM 1929 N LYS B 48 5.458 5.692 -0.667 1.00 10.47 N ATOM 1930 CA LYS B 48 5.818 5.968 -2.071 1.00 8.82 C ATOM 1931 C LYS B 48 5.868 4.685 -2.907 1.00 7.68 C ATOM 1932 O LYS B 48 6.386 3.664 -2.459 1.00 6.47 O ATOM 1933 CB LYS B 48 7.197 6.625 -2.136 1.00 9.74 C ATOM 1934 CG LYS B 48 7.265 7.806 -1.162 1.00 14.14 C ATOM 1935 CD LYS B 48 8.650 8.463 -1.235 1.00 16.32 C ATOM 1936 CE LYS B 48 9.728 7.494 -0.729 1.00 20.04 C ATOM 1937 NZ LYS B 48 10.919 8.269 -0.280 1.00 23.92 N ATOM 0 H LYS B 48 6.161 5.176 -0.138 1.00 10.47 H new ATOM 0 HA LYS B 48 5.051 6.629 -2.475 1.00 8.82 H new ATOM 0 HB2 LYS B 48 7.968 5.895 -1.889 1.00 9.74 H new ATOM 0 HB3 LYS B 48 7.397 6.969 -3.151 1.00 9.74 H new ATOM 0 HG2 LYS B 48 6.493 8.536 -1.407 1.00 14.14 H new ATOM 0 HG3 LYS B 48 7.069 7.463 -0.146 1.00 14.14 H new ATOM 0 HD2 LYS B 48 8.868 8.755 -2.262 1.00 16.32 H new ATOM 0 HD3 LYS B 48 8.660 9.374 -0.636 1.00 16.32 H new ATOM 0 HE2 LYS B 48 9.338 6.896 0.095 1.00 20.04 H new ATOM 0 HE3 LYS B 48 10.009 6.800 -1.521 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 11.650 7.614 0.063 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 11.295 8.821 -1.077 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 10.644 8.914 0.488 1.00 23.92 H new ATOM 1951 N GLN B 49 5.357 4.763 -4.139 1.00 8.89 N ATOM 1952 CA GLN B 49 5.384 3.615 -5.045 1.00 7.18 C ATOM 1953 C GLN B 49 6.787 3.530 -5.643 1.00 8.23 C ATOM 1954 O GLN B 49 7.315 4.524 -6.144 1.00 9.70 O ATOM 1955 CB GLN B 49 4.319 3.804 -6.129 1.00 11.67 C ATOM 1956 CG GLN B 49 4.108 2.496 -6.898 1.00 15.82 C ATOM 1957 CD GLN B 49 2.883 2.614 -7.802 1.00 20.21 C ATOM 1958 OE1 GLN B 49 1.752 2.478 -7.336 1.00 23.23 O ATOM 1959 NE2 GLN B 49 3.043 2.858 -9.074 1.00 20.67 N ATOM 0 H GLN B 49 4.924 5.601 -4.528 1.00 8.89 H new ATOM 0 HA GLN B 49 5.161 2.685 -4.522 1.00 7.18 H new ATOM 0 HB2 GLN B 49 3.381 4.123 -5.675 1.00 11.67 H new ATOM 0 HB3 GLN B 49 4.625 4.593 -6.816 1.00 11.67 H new ATOM 0 HG2 GLN B 49 4.991 2.269 -7.496 1.00 15.82 H new ATOM 0 HG3 GLN B 49 3.976 1.670 -6.199 1.00 15.82 H new ATOM 0 HE21 GLN B 49 3.981 2.970 -9.458 1.00 20.67 H new ATOM 0 HE22 GLN B 49 2.230 2.936 -9.684 1.00 20.67 H new ATOM 1968 N LEU B 50 7.396 2.352 -5.572 1.00 6.51 N ATOM 1969 CA LEU B 50 8.750 2.165 -6.092 1.00 7.41 C ATOM 1970 C LEU B 50 8.736 1.812 -7.583 1.00 8.27 C ATOM 1971 O LEU B 50 7.921 1.007 -8.034 1.00 8.34 O ATOM 1972 CB LEU B 50 9.446 1.053 -5.304 1.00 7.13 C ATOM 1973 CG LEU B 50 9.319 1.327 -3.801 1.00 7.53 C ATOM 1974 CD1 LEU B 50 9.943 0.167 -3.020 1.00 8.14 C ATOM 1975 CD2 LEU B 50 10.036 2.636 -3.443 1.00 9.11 C ATOM 0 H LEU B 50 6.979 1.516 -5.163 1.00 6.51 H new ATOM 0 HA LEU B 50 9.293 3.103 -5.976 1.00 7.41 H new ATOM 0 HB2 LEU B 50 9.000 0.088 -5.546 1.00 7.13 H new ATOM 0 HB3 LEU B 50 10.498 0.998 -5.586 1.00 7.13 H new ATOM 0 HG LEU B 50 8.265 1.419 -3.540 1.00 7.53 H new ATOM 0 HD11 LEU B 50 9.854 0.359 -1.951 1.00 8.14 H new ATOM 0 HD12 LEU B 50 9.424 -0.759 -3.267 1.00 8.14 H new ATOM 0 HD13 LEU B 50 10.996 0.074 -3.286 1.00 8.14 H new ATOM 0 HD21 LEU B 50 9.940 2.822 -2.373 1.00 9.11 H new ATOM 0 HD22 LEU B 50 11.091 2.556 -3.705 1.00 9.11 H new ATOM 0 HD23 LEU B 50 9.586 3.460 -3.997 1.00 9.11 H new ATOM 1987 N GLU B 51 9.642 2.441 -8.348 1.00 9.43 N ATOM 1988 CA GLU B 51 9.717 2.199 -9.799 1.00 11.90 C ATOM 1989 C GLU B 51 10.689 1.069 -10.142 1.00 11.49 C ATOM 1990 O GLU B 51 11.649 0.812 -9.417 1.00 9.88 O ATOM 1991 CB GLU B 51 10.120 3.478 -10.535 1.00 16.56 C ATOM 1992 CG GLU B 51 8.971 4.485 -10.476 1.00 26.06 C ATOM 1993 CD GLU B 51 9.361 5.766 -11.208 1.00 29.86 C ATOM 1994 OE1 GLU B 51 10.523 5.897 -11.552 1.00 32.13 O ATOM 1995 OE2 GLU B 51 8.489 6.596 -11.414 1.00 33.44 O ATOM 0 H GLU B 51 10.324 3.112 -7.994 1.00 9.43 H new ATOM 0 HA GLU B 51 8.724 1.893 -10.127 1.00 11.90 H new ATOM 0 HB2 GLU B 51 11.015 3.904 -10.082 1.00 16.56 H new ATOM 0 HB3 GLU B 51 10.366 3.251 -11.572 1.00 16.56 H new ATOM 0 HG2 GLU B 51 8.077 4.056 -10.928 1.00 26.06 H new ATOM 0 HG3 GLU B 51 8.727 4.710 -9.438 1.00 26.06 H new ATOM 2002 N ASP B 52 10.387 0.374 -11.243 1.00 12.71 N ATOM 2003 CA ASP B 52 11.192 -0.771 -11.676 1.00 16.56 C ATOM 2004 C ASP B 52 12.595 -0.383 -12.172 1.00 15.83 C ATOM 2005 O ASP B 52 13.483 -1.234 -12.228 1.00 17.21 O ATOM 2006 CB ASP B 52 10.445 -1.530 -12.773 1.00 21.05 C ATOM 2007 CG ASP B 52 9.202 -2.181 -12.183 1.00 25.12 C ATOM 2008 OD1 ASP B 52 8.812 -1.783 -11.099 1.00 28.37 O ATOM 2009 OD2 ASP B 52 8.659 -3.068 -12.822 1.00 25.82 O ATOM 0 H ASP B 52 9.593 0.584 -11.849 1.00 12.71 H new ATOM 0 HA ASP B 52 11.340 -1.403 -10.800 1.00 16.56 H new ATOM 0 HB2 ASP B 52 10.165 -0.848 -13.576 1.00 21.05 H new ATOM 0 HB3 ASP B 52 11.093 -2.289 -13.211 1.00 21.05 H new ATOM 2014 N GLY B 53 12.802 0.877 -12.548 1.00 15.00 N ATOM 2015 CA GLY B 53 14.116 1.317 -13.051 1.00 11.77 C ATOM 2016 C GLY B 53 15.012 1.915 -11.955 1.00 11.10 C ATOM 2017 O GLY B 53 16.116 2.374 -12.246 1.00 11.25 O ATOM 0 H GLY B 53 12.092 1.608 -12.518 1.00 15.00 H new ATOM 0 HA2 GLY B 53 14.627 0.469 -13.506 1.00 11.77 H new ATOM 0 HA3 GLY B 53 13.968 2.059 -13.836 1.00 11.77 H new ATOM 2021 N ARG B 54 14.552 1.905 -10.710 1.00 8.53 N ATOM 2022 CA ARG B 54 15.355 2.452 -9.594 1.00 9.05 C ATOM 2023 C ARG B 54 15.853 1.332 -8.662 1.00 8.96 C ATOM 2024 O ARG B 54 15.373 0.199 -8.731 1.00 11.60 O ATOM 2025 CB ARG B 54 14.497 3.422 -8.789 1.00 7.97 C ATOM 2026 CG ARG B 54 14.047 4.634 -9.622 1.00 9.62 C ATOM 2027 CD ARG B 54 15.243 5.382 -10.222 1.00 12.20 C ATOM 2028 NE ARG B 54 14.830 6.712 -10.661 1.00 18.23 N ATOM 2029 CZ ARG B 54 14.225 6.896 -11.831 1.00 22.08 C ATOM 2030 NH1 ARG B 54 14.475 6.095 -12.832 1.00 25.50 N ATOM 2031 NH2 ARG B 54 13.381 7.880 -11.981 1.00 23.38 N ATOM 0 H ARG B 54 13.642 1.533 -10.437 1.00 8.53 H new ATOM 0 HA ARG B 54 16.222 2.963 -10.014 1.00 9.05 H new ATOM 0 HB2 ARG B 54 13.619 2.899 -8.410 1.00 7.97 H new ATOM 0 HB3 ARG B 54 15.060 3.769 -7.923 1.00 7.97 H new ATOM 0 HG2 ARG B 54 13.387 4.301 -10.423 1.00 9.62 H new ATOM 0 HG3 ARG B 54 13.470 5.313 -8.995 1.00 9.62 H new ATOM 0 HD2 ARG B 54 16.039 5.465 -9.482 1.00 12.20 H new ATOM 0 HD3 ARG B 54 15.648 4.821 -11.064 1.00 12.20 H new ATOM 0 HE ARG B 54 15.009 7.515 -10.059 1.00 18.23 H new ATOM 0 HH11 ARG B 54 15.136 5.326 -12.717 1.00 25.50 H new ATOM 0 HH12 ARG B 54 14.010 6.238 -13.728 1.00 25.50 H new ATOM 0 HH21 ARG B 54 13.186 8.508 -11.201 1.00 23.38 H new ATOM 0 HH22 ARG B 54 12.917 8.021 -12.878 1.00 23.38 H new ATOM 2045 N THR B 55 16.828 1.659 -7.784 1.00 9.05 N ATOM 2046 CA THR B 55 17.387 0.676 -6.831 1.00 9.03 C ATOM 2047 C THR B 55 16.928 0.945 -5.396 1.00 8.15 C ATOM 2048 O THR B 55 16.401 2.009 -5.078 1.00 5.91 O ATOM 2049 CB THR B 55 18.918 0.711 -6.809 1.00 11.15 C ATOM 2050 OG1 THR B 55 19.361 1.975 -6.336 1.00 11.95 O ATOM 2051 CG2 THR B 55 19.465 0.468 -8.217 1.00 11.71 C ATOM 0 H THR B 55 17.241 2.589 -7.716 1.00 9.05 H new ATOM 0 HA THR B 55 17.026 -0.293 -7.176 1.00 9.03 H new ATOM 0 HB THR B 55 19.283 -0.072 -6.144 1.00 11.15 H new ATOM 0 HG1 THR B 55 19.950 1.847 -5.563 1.00 11.95 H new ATOM 0 HG21 THR B 55 20.554 0.494 -8.194 1.00 11.71 H new ATOM 0 HG22 THR B 55 19.133 -0.507 -8.573 1.00 11.71 H new ATOM 0 HG23 THR B 55 19.098 1.244 -8.889 1.00 11.71 H new ATOM 2059 N LEU B 56 17.175 -0.047 -4.531 1.00 6.91 N ATOM 2060 CA LEU B 56 16.827 0.070 -3.107 1.00 8.29 C ATOM 2061 C LEU B 56 17.554 1.249 -2.462 1.00 8.05 C ATOM 2062 O LEU B 56 16.962 1.980 -1.668 1.00 10.17 O ATOM 2063 CB LEU B 56 17.217 -1.204 -2.340 1.00 6.60 C ATOM 2064 CG LEU B 56 16.459 -2.427 -2.866 1.00 7.73 C ATOM 2065 CD1 LEU B 56 17.020 -3.681 -2.186 1.00 9.85 C ATOM 2066 CD2 LEU B 56 14.964 -2.310 -2.543 1.00 8.64 C ATOM 0 H LEU B 56 17.611 -0.933 -4.788 1.00 6.91 H new ATOM 0 HA LEU B 56 15.749 0.222 -3.054 1.00 8.29 H new ATOM 0 HB2 LEU B 56 18.290 -1.372 -2.432 1.00 6.60 H new ATOM 0 HB3 LEU B 56 17.005 -1.071 -1.279 1.00 6.60 H new ATOM 0 HG LEU B 56 16.582 -2.488 -3.947 1.00 7.73 H new ATOM 0 HD11 LEU B 56 16.490 -4.561 -2.551 1.00 9.85 H new ATOM 0 HD12 LEU B 56 18.081 -3.776 -2.416 1.00 9.85 H new ATOM 0 HD13 LEU B 56 16.888 -3.599 -1.107 1.00 9.85 H new ATOM 0 HD21 LEU B 56 14.440 -3.187 -2.923 1.00 8.64 H new ATOM 0 HD22 LEU B 56 14.829 -2.247 -1.463 1.00 8.64 H new ATOM 0 HD23 LEU B 56 14.559 -1.413 -3.012 1.00 8.64 H new ATOM 2078 N SER B 57 18.846 1.425 -2.770 1.00 8.92 N ATOM 2079 CA SER B 57 19.596 2.518 -2.151 1.00 9.00 C ATOM 2080 C SER B 57 19.015 3.883 -2.511 1.00 9.44 C ATOM 2081 O SER B 57 19.108 4.827 -1.728 1.00 10.91 O ATOM 2082 CB SER B 57 21.078 2.472 -2.526 1.00 10.32 C ATOM 2083 OG SER B 57 21.204 2.603 -3.936 1.00 13.59 O ATOM 0 H SER B 57 19.376 0.846 -3.421 1.00 8.92 H new ATOM 0 HA SER B 57 19.506 2.379 -1.074 1.00 9.00 H new ATOM 0 HB2 SER B 57 21.618 3.274 -2.024 1.00 10.32 H new ATOM 0 HB3 SER B 57 21.521 1.533 -2.194 1.00 10.32 H new ATOM 0 HG SER B 57 22.152 2.576 -4.184 1.00 13.59 H new ATOM 2089 N ASP B 58 18.427 3.987 -3.688 1.00 9.11 N ATOM 2090 CA ASP B 58 17.849 5.256 -4.122 1.00 7.91 C ATOM 2091 C ASP B 58 16.724 5.680 -3.182 1.00 9.12 C ATOM 2092 O ASP B 58 16.463 6.871 -3.012 1.00 8.61 O ATOM 2093 CB ASP B 58 17.305 5.122 -5.546 1.00 8.41 C ATOM 2094 CG ASP B 58 18.454 4.960 -6.534 1.00 11.50 C ATOM 2095 OD1 ASP B 58 19.566 5.321 -6.185 1.00 10.05 O ATOM 2096 OD2 ASP B 58 18.206 4.476 -7.627 1.00 11.70 O ATOM 0 H ASP B 58 18.335 3.222 -4.357 1.00 9.11 H new ATOM 0 HA ASP B 58 18.630 6.016 -4.102 1.00 7.91 H new ATOM 0 HB2 ASP B 58 16.637 4.263 -5.609 1.00 8.41 H new ATOM 0 HB3 ASP B 58 16.716 6.003 -5.803 1.00 8.41 H new ATOM 2101 N TYR B 59 16.060 4.695 -2.573 1.00 7.97 N ATOM 2102 CA TYR B 59 14.956 4.967 -1.646 1.00 8.45 C ATOM 2103 C TYR B 59 15.408 4.879 -0.191 1.00 10.98 C ATOM 2104 O TYR B 59 14.581 4.825 0.720 1.00 12.95 O ATOM 2105 CB TYR B 59 13.819 3.971 -1.864 1.00 7.94 C ATOM 2106 CG TYR B 59 13.130 4.275 -3.167 1.00 6.91 C ATOM 2107 CD1 TYR B 59 12.215 5.332 -3.238 1.00 4.59 C ATOM 2108 CD2 TYR B 59 13.398 3.504 -4.299 1.00 6.98 C ATOM 2109 CE1 TYR B 59 11.566 5.617 -4.445 1.00 5.39 C ATOM 2110 CE2 TYR B 59 12.750 3.789 -5.503 1.00 6.52 C ATOM 2111 CZ TYR B 59 11.833 4.843 -5.579 1.00 6.76 C ATOM 2112 OH TYR B 59 11.196 5.120 -6.771 1.00 7.63 O ATOM 0 H TYR B 59 16.266 3.705 -2.704 1.00 7.97 H new ATOM 0 HA TYR B 59 14.611 5.981 -1.848 1.00 8.45 H new ATOM 0 HB2 TYR B 59 14.210 2.953 -1.875 1.00 7.94 H new ATOM 0 HB3 TYR B 59 13.107 4.030 -1.041 1.00 7.94 H new ATOM 0 HD1 TYR B 59 12.010 5.928 -2.361 1.00 4.59 H new ATOM 0 HD2 TYR B 59 14.105 2.689 -4.244 1.00 6.98 H new ATOM 0 HE1 TYR B 59 10.861 6.433 -4.501 1.00 5.39 H new ATOM 0 HE2 TYR B 59 12.958 3.193 -6.379 1.00 6.52 H new ATOM 0 HH TYR B 59 11.658 4.661 -7.503 1.00 7.63 H new ATOM 2122 N ASN B 60 16.724 4.864 0.029 1.00 12.38 N ATOM 2123 CA ASN B 60 17.296 4.781 1.368 1.00 13.94 C ATOM 2124 C ASN B 60 16.683 3.646 2.183 1.00 14.16 C ATOM 2125 O ASN B 60 16.458 3.788 3.385 1.00 14.26 O ATOM 2126 CB ASN B 60 17.124 6.104 2.114 1.00 19.23 C ATOM 2127 CG ASN B 60 17.829 7.223 1.355 1.00 22.65 C ATOM 2128 OD1 ASN B 60 18.995 7.085 0.987 1.00 25.45 O ATOM 2129 ND2 ASN B 60 17.188 8.331 1.099 1.00 24.09 N ATOM 0 H ASN B 60 17.419 4.909 -0.716 1.00 12.38 H new ATOM 0 HA ASN B 60 18.359 4.572 1.246 1.00 13.94 H new ATOM 0 HB2 ASN B 60 16.064 6.336 2.221 1.00 19.23 H new ATOM 0 HB3 ASN B 60 17.535 6.020 3.120 1.00 19.23 H new ATOM 0 HD21 ASN B 60 17.654 9.084 0.593 1.00 24.09 H new ATOM 0 HD22 ASN B 60 16.221 8.443 1.405 1.00 24.09 H new ATOM 2136 N ILE B 61 16.450 2.507 1.536 1.00 11.08 N ATOM 2137 CA ILE B 61 15.902 1.347 2.239 1.00 11.78 C ATOM 2138 C ILE B 61 17.060 0.659 2.953 1.00 13.74 C ATOM 2139 O ILE B 61 18.056 0.293 2.330 1.00 14.60 O ATOM 2140 CB ILE B 61 15.184 0.428 1.240 1.00 11.80 C ATOM 2141 CG1 ILE B 61 13.973 1.176 0.678 1.00 11.56 C ATOM 2142 CG2 ILE B 61 14.704 -0.848 1.939 1.00 13.29 C ATOM 2143 CD1 ILE B 61 13.315 0.358 -0.434 1.00 11.42 C ATOM 0 H ILE B 61 16.628 2.361 0.542 1.00 11.08 H new ATOM 0 HA ILE B 61 15.156 1.634 2.980 1.00 11.78 H new ATOM 0 HB ILE B 61 15.872 0.153 0.441 1.00 11.80 H new ATOM 0 HG12 ILE B 61 13.253 1.366 1.474 1.00 11.56 H new ATOM 0 HG13 ILE B 61 14.284 2.146 0.290 1.00 11.56 H new ATOM 0 HG21 ILE B 61 14.197 -1.489 1.218 1.00 13.29 H new ATOM 0 HG22 ILE B 61 15.560 -1.378 2.357 1.00 13.29 H new ATOM 0 HG23 ILE B 61 14.013 -0.586 2.740 1.00 13.29 H new ATOM 0 HD11 ILE B 61 12.455 0.901 -0.825 1.00 11.42 H new ATOM 0 HD12 ILE B 61 14.034 0.190 -1.236 1.00 11.42 H new ATOM 0 HD13 ILE B 61 12.987 -0.602 -0.034 1.00 11.42 H new ATOM 2155 N GLN B 62 16.947 0.540 4.282 1.00 13.97 N ATOM 2156 CA GLN B 62 18.004 -0.042 5.116 1.00 15.52 C ATOM 2157 C GLN B 62 17.629 -1.431 5.632 1.00 13.94 C ATOM 2158 O GLN B 62 16.492 -1.879 5.493 1.00 12.15 O ATOM 2159 CB GLN B 62 18.253 0.900 6.294 1.00 19.53 C ATOM 2160 CG GLN B 62 18.924 2.178 5.783 1.00 26.38 C ATOM 2161 CD GLN B 62 19.134 3.157 6.933 1.00 30.61 C ATOM 2162 OE1 GLN B 62 19.967 2.919 7.808 1.00 33.23 O ATOM 2163 NE2 GLN B 62 18.423 4.249 6.982 1.00 32.71 N ATOM 0 H GLN B 62 16.126 0.842 4.806 1.00 13.97 H new ATOM 0 HA GLN B 62 18.904 -0.159 4.512 1.00 15.52 H new ATOM 0 HB2 GLN B 62 17.312 1.142 6.787 1.00 19.53 H new ATOM 0 HB3 GLN B 62 18.886 0.414 7.036 1.00 19.53 H new ATOM 0 HG2 GLN B 62 19.882 1.936 5.322 1.00 26.38 H new ATOM 0 HG3 GLN B 62 18.307 2.638 5.012 1.00 26.38 H new ATOM 0 HE21 GLN B 62 17.734 4.442 6.255 1.00 32.71 H new ATOM 0 HE22 GLN B 62 18.556 4.910 7.747 1.00 32.71 H new ATOM 2172 N LYS B 63 18.623 -2.109 6.203 1.00 11.73 N ATOM 2173 CA LYS B 63 18.388 -3.460 6.703 1.00 11.97 C ATOM 2174 C LYS B 63 17.163 -3.518 7.617 1.00 10.41 C ATOM 2175 O LYS B 63 16.901 -2.604 8.400 1.00 9.59 O ATOM 2176 CB LYS B 63 19.594 -4.022 7.460 1.00 13.73 C ATOM 2177 CG LYS B 63 19.969 -3.060 8.589 1.00 16.98 C ATOM 2178 CD LYS B 63 21.260 -3.533 9.259 1.00 20.19 C ATOM 2179 CE LYS B 63 21.633 -2.567 10.385 1.00 23.42 C ATOM 2180 NZ LYS B 63 22.753 -3.143 11.181 1.00 25.97 N ATOM 0 H LYS B 63 19.572 -1.757 6.328 1.00 11.73 H new ATOM 0 HA LYS B 63 18.214 -4.074 5.819 1.00 11.97 H new ATOM 0 HB2 LYS B 63 19.358 -5.005 7.867 1.00 13.73 H new ATOM 0 HB3 LYS B 63 20.437 -4.152 6.781 1.00 13.73 H new ATOM 0 HG2 LYS B 63 20.101 -2.053 8.193 1.00 16.98 H new ATOM 0 HG3 LYS B 63 19.164 -3.012 9.322 1.00 16.98 H new ATOM 0 HD2 LYS B 63 21.128 -4.539 9.657 1.00 20.19 H new ATOM 0 HD3 LYS B 63 22.066 -3.583 8.526 1.00 20.19 H new ATOM 0 HE2 LYS B 63 21.926 -1.603 9.970 1.00 23.42 H new ATOM 0 HE3 LYS B 63 20.770 -2.389 11.027 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 23.008 -2.487 11.947 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 22.457 -4.053 11.588 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 23.577 -3.291 10.564 1.00 25.97 H new ATOM 2194 N GLU B 64 16.413 -4.608 7.475 1.00 10.04 N ATOM 2195 CA GLU B 64 15.189 -4.841 8.243 1.00 10.94 C ATOM 2196 C GLU B 64 14.075 -3.859 7.898 1.00 9.74 C ATOM 2197 O GLU B 64 13.139 -3.686 8.678 1.00 9.42 O ATOM 2198 CB GLU B 64 15.393 -4.834 9.759 1.00 18.31 C ATOM 2199 CG GLU B 64 16.303 -5.998 10.154 1.00 24.16 C ATOM 2200 CD GLU B 64 16.324 -6.142 11.673 1.00 29.00 C ATOM 2201 OE1 GLU B 64 15.911 -5.211 12.343 1.00 31.72 O ATOM 2202 OE2 GLU B 64 16.752 -7.183 12.144 1.00 32.61 O ATOM 0 H GLU B 64 16.637 -5.359 6.822 1.00 10.04 H new ATOM 0 HA GLU B 64 14.892 -5.846 7.944 1.00 10.94 H new ATOM 0 HB2 GLU B 64 15.836 -3.889 10.073 1.00 18.31 H new ATOM 0 HB3 GLU B 64 14.432 -4.920 10.267 1.00 18.31 H new ATOM 0 HG2 GLU B 64 15.948 -6.921 9.696 1.00 24.16 H new ATOM 0 HG3 GLU B 64 17.313 -5.825 9.781 1.00 24.16 H new ATOM 2209 N SER B 65 14.126 -3.276 6.710 1.00 6.85 N ATOM 2210 CA SER B 65 13.066 -2.389 6.252 1.00 6.90 C ATOM 2211 C SER B 65 11.887 -3.249 5.819 1.00 4.72 C ATOM 2212 O SER B 65 12.073 -4.366 5.339 1.00 3.91 O ATOM 2213 CB SER B 65 13.560 -1.543 5.084 1.00 7.28 C ATOM 2214 OG SER B 65 14.474 -0.565 5.560 1.00 10.56 O ATOM 0 H SER B 65 14.890 -3.401 6.045 1.00 6.85 H new ATOM 0 HA SER B 65 12.764 -1.715 7.053 1.00 6.90 H new ATOM 0 HB2 SER B 65 14.044 -2.177 4.341 1.00 7.28 H new ATOM 0 HB3 SER B 65 12.718 -1.059 4.590 1.00 7.28 H new ATOM 0 HG SER B 65 15.259 -1.010 5.942 1.00 10.56 H new ATOM 2220 N THR B 66 10.666 -2.725 5.981 1.00 4.48 N ATOM 2221 CA THR B 66 9.458 -3.451 5.592 1.00 3.80 C ATOM 2222 C THR B 66 8.792 -2.741 4.415 1.00 4.60 C ATOM 2223 O THR B 66 8.431 -1.567 4.504 1.00 5.33 O ATOM 2224 CB THR B 66 8.470 -3.515 6.760 1.00 2.85 C ATOM 2225 OG1 THR B 66 9.079 -4.182 7.857 1.00 2.15 O ATOM 2226 CG2 THR B 66 7.215 -4.279 6.331 1.00 3.40 C ATOM 0 H THR B 66 10.492 -1.802 6.379 1.00 4.48 H new ATOM 0 HA THR B 66 9.739 -4.465 5.307 1.00 3.80 H new ATOM 0 HB THR B 66 8.193 -2.503 7.056 1.00 2.85 H new ATOM 0 HG1 THR B 66 8.449 -4.222 8.606 1.00 2.15 H new ATOM 0 HG21 THR B 66 6.513 -4.323 7.164 1.00 3.40 H new ATOM 0 HG22 THR B 66 6.748 -3.768 5.490 1.00 3.40 H new ATOM 0 HG23 THR B 66 7.489 -5.291 6.033 1.00 3.40 H new ATOM 2234 N LEU B 67 8.589 -3.485 3.333 1.00 4.17 N ATOM 2235 CA LEU B 67 7.913 -2.962 2.148 1.00 3.85 C ATOM 2236 C LEU B 67 6.514 -3.549 2.120 1.00 3.80 C ATOM 2237 O LEU B 67 6.256 -4.602 2.703 1.00 5.54 O ATOM 2238 CB LEU B 67 8.632 -3.375 0.862 1.00 7.18 C ATOM 2239 CG LEU B 67 10.127 -2.998 0.916 1.00 9.67 C ATOM 2240 CD1 LEU B 67 10.957 -4.114 1.562 1.00 8.12 C ATOM 2241 CD2 LEU B 67 10.648 -2.754 -0.505 1.00 11.66 C ATOM 0 H LEU B 67 8.884 -4.458 3.251 1.00 4.17 H new ATOM 0 HA LEU B 67 7.902 -1.873 2.199 1.00 3.85 H new ATOM 0 HB2 LEU B 67 8.530 -4.450 0.714 1.00 7.18 H new ATOM 0 HB3 LEU B 67 8.162 -2.889 0.007 1.00 7.18 H new ATOM 0 HG LEU B 67 10.225 -2.094 1.517 1.00 9.67 H new ATOM 0 HD11 LEU B 67 12.006 -3.820 1.586 1.00 8.12 H new ATOM 0 HD12 LEU B 67 10.605 -4.287 2.579 1.00 8.12 H new ATOM 0 HD13 LEU B 67 10.850 -5.030 0.981 1.00 8.12 H new ATOM 0 HD21 LEU B 67 11.704 -2.488 -0.465 1.00 11.66 H new ATOM 0 HD22 LEU B 67 10.525 -3.660 -1.098 1.00 11.66 H new ATOM 0 HD23 LEU B 67 10.086 -1.940 -0.964 1.00 11.66 H new ATOM 2253 N HIS B 68 5.610 -2.866 1.422 1.00 2.94 N ATOM 2254 CA HIS B 68 4.232 -3.324 1.294 1.00 4.17 C ATOM 2255 C HIS B 68 3.971 -3.731 -0.149 1.00 5.32 C ATOM 2256 O HIS B 68 4.341 -3.015 -1.080 1.00 7.70 O ATOM 2257 CB HIS B 68 3.269 -2.200 1.684 1.00 5.57 C ATOM 2258 CG HIS B 68 3.371 -1.933 3.158 1.00 9.95 C ATOM 2259 ND1 HIS B 68 4.264 -1.010 3.677 1.00 13.74 N ATOM 2260 CD2 HIS B 68 2.704 -2.457 4.237 1.00 12.79 C ATOM 2261 CE1 HIS B 68 4.114 -1.006 5.013 1.00 14.75 C ATOM 2262 NE2 HIS B 68 3.174 -1.870 5.409 1.00 16.30 N ATOM 0 H HIS B 68 5.809 -1.992 0.936 1.00 2.94 H new ATOM 0 HA HIS B 68 4.074 -4.176 1.955 1.00 4.17 H new ATOM 0 HB2 HIS B 68 3.505 -1.295 1.124 1.00 5.57 H new ATOM 0 HB3 HIS B 68 2.247 -2.478 1.425 1.00 5.57 H new ATOM 0 HD1 HIS B 68 4.917 -0.437 3.142 1.00 13.74 H new ATOM 0 HD2 HIS B 68 1.932 -3.210 4.185 1.00 12.79 H new ATOM 0 HE1 HIS B 68 4.684 -0.381 5.685 1.00 14.75 H new ATOM 2270 N LEU B 69 3.338 -4.886 -0.335 1.00 5.29 N ATOM 2271 CA LEU B 69 3.035 -5.389 -1.674 1.00 3.97 C ATOM 2272 C LEU B 69 1.544 -5.222 -1.938 1.00 5.07 C ATOM 2273 O LEU B 69 0.715 -5.592 -1.107 1.00 4.34 O ATOM 2274 CB LEU B 69 3.399 -6.883 -1.770 1.00 6.08 C ATOM 2275 CG LEU B 69 3.098 -7.461 -3.160 1.00 7.37 C ATOM 2276 CD1 LEU B 69 4.126 -6.967 -4.179 1.00 6.87 C ATOM 2277 CD2 LEU B 69 3.161 -8.990 -3.094 1.00 9.96 C ATOM 0 H LEU B 69 3.025 -5.492 0.423 1.00 5.29 H new ATOM 0 HA LEU B 69 3.614 -4.831 -2.410 1.00 3.97 H new ATOM 0 HB2 LEU B 69 4.458 -7.013 -1.545 1.00 6.08 H new ATOM 0 HB3 LEU B 69 2.842 -7.441 -1.017 1.00 6.08 H new ATOM 0 HG LEU B 69 2.105 -7.135 -3.468 1.00 7.37 H new ATOM 0 HD11 LEU B 69 3.898 -7.386 -5.159 1.00 6.87 H new ATOM 0 HD12 LEU B 69 4.091 -5.879 -4.233 1.00 6.87 H new ATOM 0 HD13 LEU B 69 5.123 -7.283 -3.872 1.00 6.87 H new ATOM 0 HD21 LEU B 69 2.948 -9.406 -4.079 1.00 9.96 H new ATOM 0 HD22 LEU B 69 4.157 -9.300 -2.777 1.00 9.96 H new ATOM 0 HD23 LEU B 69 2.423 -9.354 -2.379 1.00 9.96 H new ATOM 2289 N VAL B 70 1.202 -4.680 -3.119 1.00 4.29 N ATOM 2290 CA VAL B 70 -0.176 -4.470 -3.546 1.00 6.26 C ATOM 2291 C VAL B 70 -0.381 -5.251 -4.838 1.00 9.22 C ATOM 2292 O VAL B 70 0.525 -5.375 -5.659 1.00 9.36 O ATOM 2293 CB VAL B 70 -0.416 -2.966 -3.749 1.00 8.69 C ATOM 2294 CG1 VAL B 70 -1.539 -2.701 -4.762 1.00 9.76 C ATOM 2295 CG2 VAL B 70 -0.786 -2.315 -2.425 1.00 8.54 C ATOM 0 H VAL B 70 1.890 -4.374 -3.807 1.00 4.29 H new ATOM 0 HA VAL B 70 -0.888 -4.820 -2.799 1.00 6.26 H new ATOM 0 HB VAL B 70 0.509 -2.539 -4.136 1.00 8.69 H new ATOM 0 HG11 VAL B 70 -1.678 -1.626 -4.878 1.00 9.76 H new ATOM 0 HG12 VAL B 70 -1.272 -3.138 -5.724 1.00 9.76 H new ATOM 0 HG13 VAL B 70 -2.465 -3.150 -4.404 1.00 9.76 H new ATOM 0 HG21 VAL B 70 -0.954 -1.249 -2.578 1.00 8.54 H new ATOM 0 HG22 VAL B 70 -1.695 -2.774 -2.035 1.00 8.54 H new ATOM 0 HG23 VAL B 70 0.026 -2.455 -1.711 1.00 8.54 H new ATOM 2305 N LEU B 71 -1.581 -5.785 -4.992 1.00 12.71 N ATOM 2306 CA LEU B 71 -1.933 -6.580 -6.172 1.00 16.06 C ATOM 2307 C LEU B 71 -2.922 -5.826 -7.051 1.00 18.09 C ATOM 2308 O LEU B 71 -3.837 -5.169 -6.555 1.00 19.26 O ATOM 2309 CB LEU B 71 -2.552 -7.910 -5.735 1.00 17.10 C ATOM 2310 CG LEU B 71 -1.656 -8.582 -4.687 1.00 19.37 C ATOM 2311 CD1 LEU B 71 -2.286 -9.911 -4.260 1.00 17.51 C ATOM 2312 CD2 LEU B 71 -0.264 -8.846 -5.285 1.00 19.57 C ATOM 0 H LEU B 71 -2.337 -5.685 -4.314 1.00 12.71 H new ATOM 0 HA LEU B 71 -1.025 -6.768 -6.745 1.00 16.06 H new ATOM 0 HB2 LEU B 71 -3.546 -7.740 -5.321 1.00 17.10 H new ATOM 0 HB3 LEU B 71 -2.673 -8.566 -6.597 1.00 17.10 H new ATOM 0 HG LEU B 71 -1.557 -7.926 -3.822 1.00 19.37 H new ATOM 0 HD11 LEU B 71 -1.652 -10.392 -3.515 1.00 17.51 H new ATOM 0 HD12 LEU B 71 -3.271 -9.726 -3.833 1.00 17.51 H new ATOM 0 HD13 LEU B 71 -2.384 -10.563 -5.128 1.00 17.51 H new ATOM 0 HD21 LEU B 71 0.369 -9.323 -4.537 1.00 19.57 H new ATOM 0 HD22 LEU B 71 -0.358 -9.501 -6.151 1.00 19.57 H new ATOM 0 HD23 LEU B 71 0.186 -7.901 -5.591 1.00 19.57 H new ATOM 2324 N ARG B 72 -2.722 -5.928 -8.364 1.00 21.47 N ATOM 2325 CA ARG B 72 -3.589 -5.258 -9.336 1.00 25.83 C ATOM 2326 C ARG B 72 -4.256 -6.292 -10.241 1.00 27.74 C ATOM 2327 O ARG B 72 -3.588 -7.164 -10.797 1.00 30.65 O ATOM 2328 CB ARG B 72 -2.750 -4.306 -10.191 1.00 28.49 C ATOM 2329 CG ARG B 72 -3.642 -3.609 -11.219 1.00 31.79 C ATOM 2330 CD ARG B 72 -2.829 -2.536 -11.945 1.00 34.05 C ATOM 2331 NE ARG B 72 -3.581 -2.019 -13.088 1.00 35.08 N ATOM 2332 CZ ARG B 72 -2.988 -1.759 -14.253 1.00 34.67 C ATOM 2333 NH1 ARG B 72 -2.283 -2.682 -14.848 1.00 34.97 N ATOM 2334 NH2 ARG B 72 -3.111 -0.580 -14.797 1.00 35.02 N ATOM 0 H ARG B 72 -1.965 -6.470 -8.782 1.00 21.47 H new ATOM 0 HA ARG B 72 -4.358 -4.698 -8.803 1.00 25.83 H new ATOM 0 HB2 ARG B 72 -2.264 -3.565 -9.556 1.00 28.49 H new ATOM 0 HB3 ARG B 72 -1.959 -4.859 -10.698 1.00 28.49 H new ATOM 0 HG2 ARG B 72 -4.029 -4.335 -11.934 1.00 31.79 H new ATOM 0 HG3 ARG B 72 -4.503 -3.158 -10.725 1.00 31.79 H new ATOM 0 HD2 ARG B 72 -2.592 -1.723 -11.259 1.00 34.05 H new ATOM 0 HD3 ARG B 72 -1.881 -2.954 -12.283 1.00 34.05 H new ATOM 0 HE ARG B 72 -4.583 -1.854 -12.991 1.00 35.08 H new ATOM 0 HH11 ARG B 72 -2.185 -3.603 -14.422 1.00 34.97 H new ATOM 0 HH12 ARG B 72 -1.830 -2.482 -15.740 1.00 34.97 H new ATOM 0 HH21 ARG B 72 -3.661 0.142 -14.331 1.00 35.02 H new ATOM 0 HH22 ARG B 72 -2.658 -0.380 -15.689 1.00 35.02 H new TER 2348 ARG B 72 END