USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1034 hydrogens (0 hets) HEADER HORMONE/GROWTH FACTOR 18-AUG-00 1FMM TITLE SOLUTION STRUCTURE OF NFGF-1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ACIDIC FIBROBLAST GROWTH FACTOR; COMPND 3 CHAIN: S; COMPND 4 SYNONYM: NFGF-1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOTOPHTHALMUS VIRIDESCENS; SOURCE 3 ORGANISM_COMMON: EASTERN NEWT; SOURCE 4 ORGANISM_TAXID: 8316; SOURCE 5 CELL: FIBROBLAST; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21B KEYWDS GROWTH FACTOR, TRIPLE RESONANCE, MITOGEN, WOUND HEALING, KEYWDS 2 HORMONE/GROWTH FACTOR COMPLEX EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR A.I.ARUNKUMAR,S.SRISAILAM,T.K.S.KUMAR,I.M.CHIU,C.YU REVDAT 2 24-FEB-09 1FMM 1 VERSN REVDAT 1 18-AUG-01 1FMM 0 JRNL AUTH A.I.ARUNKUMAR,S.SRISAILAM,T.K.KUMAR,K.M.KATHIR, JRNL AUTH 2 Y.H.CHI,H.M.WANG,G.G.CHANG,I.CHIU,C.YU JRNL TITL STRUCTURE AND STABILITY OF AN ACIDIC FIBROBLAST JRNL TITL 2 GROWTH FACTOR FROM NOTOPHTHALMUS VIRIDESCENS. JRNL REF J.BIOL.CHEM. V. 277 46424 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 12205097 JRNL DOI 10.1074/JBC.M207814200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FMM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-AUG-00. REMARK 100 THE RCSB ID CODE IS RCSB011718. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 0.1 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 10 MM PHOSPHATE AND 100 MM REMARK 210 SODIUM CHLORIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AURELIA 2.7.5, XWINNMR 2.6 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS S 8 CA - CB - SG ANGL. DEV. = 9.6 DEGREES REMARK 500 ARG S 16 NE - CZ - NH2 ANGL. DEV. = -6.7 DEGREES REMARK 500 TYR S 56 CB - CA - C ANGL. DEV. = 12.1 DEGREES REMARK 500 PHE S 77 CB - CG - CD1 ANGL. DEV. = 5.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS S 2 -37.33 -173.36 REMARK 500 PRO S 3 -166.80 -77.79 REMARK 500 LYS S 4 126.16 161.06 REMARK 500 LEU S 6 77.84 -111.96 REMARK 500 ASN S 10 54.48 -95.26 REMARK 500 PHE S 18 -106.89 -80.47 REMARK 500 ARG S 27 2.10 -66.74 REMARK 500 TYR S 33 58.66 -167.54 REMARK 500 GLU S 41 -70.40 -100.56 REMARK 500 VAL S 43 -118.06 107.72 REMARK 500 LEU S 51 172.38 62.89 REMARK 500 THR S 53 8.23 -66.82 REMARK 500 GLN S 55 -147.85 -87.97 REMARK 500 TYR S 56 -157.77 -150.00 REMARK 500 ASP S 62 -54.24 179.65 REMARK 500 GLN S 64 -178.08 -69.57 REMARK 500 PRO S 71 -127.70 -70.91 REMARK 500 SER S 72 145.25 63.58 REMARK 500 CYS S 75 49.17 -94.93 REMARK 500 LEU S 76 -162.00 -114.52 REMARK 500 PHE S 77 -166.17 -169.77 REMARK 500 GLU S 82 -114.27 -39.27 REMARK 500 GLU S 83 -81.87 -79.03 REMARK 500 ASN S 84 94.23 -162.43 REMARK 500 ASN S 85 -53.84 -177.03 REMARK 500 THR S 88 -97.63 -36.03 REMARK 500 TYR S 89 169.59 90.54 REMARK 500 LYS S 90 144.65 63.53 REMARK 500 SER S 91 -145.16 158.03 REMARK 500 LYS S 92 -94.37 -169.81 REMARK 500 VAL S 93 -70.32 -115.45 REMARK 500 ASP S 96 -92.16 39.97 REMARK 500 LYS S 97 -14.56 140.62 REMARK 500 ASP S 98 -5.74 -57.96 REMARK 500 TRP S 99 69.25 -150.74 REMARK 500 LYS S 104 -171.39 173.03 REMARK 500 LYS S 105 -62.89 110.39 REMARK 500 ASN S 106 5.25 167.62 REMARK 500 LYS S 108 -0.17 142.15 REMARK 500 THR S 109 -154.51 63.50 REMARK 500 ARG S 114 83.19 -166.80 REMARK 500 HIS S 116 87.75 164.41 REMARK 500 PHE S 117 111.37 -5.29 REMARK 500 GLN S 119 154.52 -45.90 REMARK 500 ILE S 122 -74.41 -44.12 REMARK 500 VAL S 129 -77.79 -8.64 REMARK 500 SER S 130 -91.63 50.69 REMARK 500 SER S 131 -117.15 -150.26 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 S 16 0.23 SIDE_CHAIN REMARK 500 ARG S 27 0.29 SIDE_CHAIN REMARK 500 TYR S 47 0.08 SIDE_CHAIN REMARK 500 TYR S 66 0.09 SIDE_CHAIN REMARK 500 ARG S 80 0.20 SIDE_CHAIN REMARK 500 PHE S 100 0.08 SIDE_CHAIN REMARK 500 ARG S 114 0.22 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1FMM S 1 132 UNP Q7SIF8 FGF1_NOTVI 1 132 SEQRES 1 S 132 GLN LYS PRO LYS LEU LEU TYR CYS SER ASN GLY GLY TYR SEQRES 2 S 132 PHE LEU ARG ILE PHE PRO ASP GLY LYS VAL ASP GLY THR SEQRES 3 S 132 ARG ASP ARG SER ASP PRO TYR ILE GLN LEU GLN PHE TYR SEQRES 4 S 132 ALA GLU SER VAL GLY GLU VAL TYR ILE LYS SER LEU GLU SEQRES 5 S 132 THR GLY GLN TYR LEU ALA MET ASP SER ASP GLY GLN LEU SEQRES 6 S 132 TYR ALA SER GLN SER PRO SER GLU GLU CYS LEU PHE LEU SEQRES 7 S 132 GLU ARG LEU GLU GLU ASN ASN TYR ASN THR TYR LYS SER SEQRES 8 S 132 LYS VAL HIS ALA ASP LYS ASP TRP PHE VAL GLY ILE LYS SEQRES 9 S 132 LYS ASN GLY LYS THR LYS PRO GLY SER ARG THR HIS PHE SEQRES 10 S 132 GLY GLN LYS ALA ILE LEU PHE LEU PRO LEU PRO VAL SER SEQRES 11 S 132 SER ASP HELIX 1 1 SER S 72 LEU S 76 5 5 SHEET 1 A 4 VAL S 23 THR S 26 0 SHEET 2 A 4 PHE S 14 ILE S 17 -1 O PHE S 14 N THR S 26 SHEET 3 A 4 LEU S 6 CYS S 8 -1 N LEU S 6 O LEU S 15 SHEET 4 A 4 PHE S 124 PRO S 126 -1 O LEU S 125 N TYR S 7 SHEET 1 B 2 LEU S 36 ALA S 40 0 SHEET 2 B 2 VAL S 46 SER S 50 -1 N TYR S 47 O TYR S 39 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: S 1 GLN N :NH3+ -144:sc= -1.64 (180deg=-3.89!) USER MOD Set 1.2: S 130 SER OG : rot -130:sc= 0.577 USER MOD Set 2.1: S 87 ASN : amide:sc= -8.97! C(o=-8.2!,f=-16!) USER MOD Set 2.2: S 89 TYR OH : rot -18:sc= 0.729 USER MOD Set 3.1: S 59 MET CE :methyl -160:sc= 0 (180deg=-0.62) USER MOD Set 3.2: S 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: S 47 TYR OH : rot 0:sc= -1.81 USER MOD Set 4.2: S 66 TYR OH : rot 15:sc= -0.0221 USER MOD Set 4.3: S 68 SER OG : rot 104:sc= 0.891 USER MOD Set 4.4: S 75 CYS SG : rot 179:sc= 0.192! USER MOD Set 5.1: S 37 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.4!) USER MOD Set 5.2: S 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.3: S 56 TYR OH : rot 180:sc= 0 USER MOD Single : S 1 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.46) USER MOD Single : S 2 LYS NZ :NH3+ -173:sc= 0.0726 (180deg=0.0605) USER MOD Single : S 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 7 TYR OH : rot -4:sc= -0.732 USER MOD Single : S 8 CYS SG : rot 46:sc= -3.29! USER MOD Single : S 9 SER OG : rot 180:sc= 0 USER MOD Single : S 10 ASN : amide:sc= -2.64! C(o=-2.6!,f=-3.1!) USER MOD Single : S 13 TYR OH : rot 180:sc= 0 USER MOD Single : S 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 26 THR OG1 : rot -166:sc= 0.103 USER MOD Single : S 30 SER OG : rot 180:sc= 0 USER MOD Single : S 33 TYR OH : rot 180:sc= -0.922 USER MOD Single : S 35 GLN : amide:sc= -2.7 K(o=-2.7,f=-5.1!) USER MOD Single : S 39 TYR OH : rot 38:sc= 0.0515 USER MOD Single : S 42 SER OG : rot 180:sc= 0 USER MOD Single : S 50 SER OG : rot -152:sc= -5.4! USER MOD Single : S 53 THR OG1 : rot -152:sc= -1.83 USER MOD Single : S 55 GLN : amide:sc= -0.536 K(o=-0.54,f=-2) USER MOD Single : S 61 SER OG : rot 62:sc= 0.115 USER MOD Single : S 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 69 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.093) USER MOD Single : S 70 SER OG : rot 180:sc= -0.123 USER MOD Single : S 72 SER OG : rot 180:sc= 0 USER MOD Single : S 84 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.4!) USER MOD Single : S 85 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.48) USER MOD Single : S 86 TYR OH : rot 81:sc= 0.48 USER MOD Single : S 88 THR OG1 : rot -77:sc= -5.16! USER MOD Single : S 90 LYS NZ :NH3+ -149:sc= -4.03! (180deg=-11.4!) USER MOD Single : S 91 SER OG : rot 180:sc= 0 USER MOD Single : S 94 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-5.1!) USER MOD Single : S 97 LYS NZ :NH3+ -112:sc= 1.13 (180deg=0.171) USER MOD Single : S 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 106 ASN : amide:sc= -0.0368 X(o=-0.037,f=-0.092) USER MOD Single : S 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 109 THR OG1 : rot 105:sc= -0.182! USER MOD Single : S 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 113 SER OG : rot 180:sc= 0 USER MOD Single : S 115 THR OG1 : rot -140:sc= 0.0828 USER MOD Single : S 116 HIS : no HD1:sc= -4.53! K(o=-4.5!,f=-1.3) USER MOD Single : S 119 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.3!) USER MOD Single : S 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 131 SER OG : rot 180:sc= 0.0012 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN S 1 5.214 1.825 -17.134 1.00 3.90 N ATOM 2 CA GLN S 1 4.685 0.498 -17.459 1.00 3.46 C ATOM 3 C GLN S 1 4.969 -0.655 -16.438 1.00 2.27 C ATOM 4 O GLN S 1 5.301 -1.768 -16.834 1.00 2.56 O ATOM 5 CB GLN S 1 5.278 0.142 -18.830 1.00 4.04 C ATOM 6 CG GLN S 1 6.824 0.057 -18.855 1.00 5.01 C ATOM 7 CD GLN S 1 7.292 -0.925 -19.936 1.00 5.76 C ATOM 8 OE1 GLN S 1 6.586 -1.253 -20.869 1.00 6.15 O ATOM 9 NE2 GLN S 1 8.468 -1.501 -19.689 1.00 6.32 N ATOM 0 H1 GLN S 1 4.542 2.553 -17.450 1.00 3.90 H new ATOM 0 H2 GLN S 1 5.350 1.902 -16.106 1.00 3.90 H new ATOM 0 H3 GLN S 1 6.126 1.963 -17.615 1.00 3.90 H new ATOM 0 HA GLN S 1 3.598 0.571 -17.437 1.00 3.46 H new ATOM 0 HB2 GLN S 1 4.868 -0.815 -19.152 1.00 4.04 H new ATOM 0 HB3 GLN S 1 4.955 0.888 -19.557 1.00 4.04 H new ATOM 0 HG2 GLN S 1 7.245 1.044 -19.046 1.00 5.01 H new ATOM 0 HG3 GLN S 1 7.192 -0.264 -17.880 1.00 5.01 H new ATOM 0 HE21 GLN S 1 9.029 -1.195 -18.894 1.00 6.32 H new ATOM 0 HE22 GLN S 1 8.807 -2.248 -20.295 1.00 6.32 H new ATOM 20 N LYS S 2 4.907 -0.359 -15.119 1.00 1.50 N ATOM 21 CA LYS S 2 5.574 -1.092 -14.006 1.00 0.89 C ATOM 22 C LYS S 2 5.168 -0.590 -12.576 1.00 0.73 C ATOM 23 O LYS S 2 5.027 -1.414 -11.667 1.00 0.78 O ATOM 24 CB LYS S 2 7.128 -1.113 -14.064 1.00 1.64 C ATOM 25 CG LYS S 2 7.791 -1.797 -15.278 1.00 1.97 C ATOM 26 CD LYS S 2 7.275 -3.219 -15.603 1.00 2.99 C ATOM 27 CE LYS S 2 7.343 -3.591 -17.104 1.00 3.34 C ATOM 28 NZ LYS S 2 6.235 -4.456 -17.529 1.00 4.06 N ATOM 0 H LYS S 2 4.365 0.436 -14.780 1.00 1.50 H new ATOM 0 HA LYS S 2 5.203 -2.104 -14.167 1.00 0.89 H new ATOM 0 HB2 LYS S 2 7.479 -0.082 -14.027 1.00 1.64 H new ATOM 0 HB3 LYS S 2 7.491 -1.606 -13.162 1.00 1.64 H new ATOM 0 HG2 LYS S 2 7.643 -1.166 -16.154 1.00 1.97 H new ATOM 0 HG3 LYS S 2 8.865 -1.850 -15.101 1.00 1.97 H new ATOM 0 HD2 LYS S 2 7.857 -3.944 -15.034 1.00 2.99 H new ATOM 0 HD3 LYS S 2 6.242 -3.305 -15.265 1.00 2.99 H new ATOM 0 HE2 LYS S 2 7.334 -2.678 -17.700 1.00 3.34 H new ATOM 0 HE3 LYS S 2 8.288 -4.094 -17.306 1.00 3.34 H new ATOM 0 HZ1 LYS S 2 6.395 -4.769 -18.508 1.00 4.06 H new ATOM 0 HZ2 LYS S 2 6.183 -5.286 -16.904 1.00 4.06 H new ATOM 0 HZ3 LYS S 2 5.341 -3.927 -17.476 1.00 4.06 H new ATOM 42 N PRO S 3 4.968 0.754 -12.385 1.00 0.60 N ATOM 43 CA PRO S 3 4.441 1.269 -11.121 1.00 0.47 C ATOM 44 C PRO S 3 2.936 1.005 -11.142 1.00 0.42 C ATOM 45 O PRO S 3 2.473 0.251 -11.998 1.00 0.51 O ATOM 46 CB PRO S 3 4.760 2.770 -11.175 1.00 0.46 C ATOM 47 CG PRO S 3 4.828 3.110 -12.658 1.00 0.56 C ATOM 48 CD PRO S 3 5.201 1.814 -13.360 1.00 0.64 C ATOM 0 HA PRO S 3 4.854 0.821 -10.217 1.00 0.47 H new ATOM 0 HB2 PRO S 3 3.990 3.355 -10.672 1.00 0.46 H new ATOM 0 HB3 PRO S 3 5.704 2.990 -10.677 1.00 0.46 H new ATOM 0 HG2 PRO S 3 3.871 3.489 -13.017 1.00 0.56 H new ATOM 0 HG3 PRO S 3 5.570 3.886 -12.848 1.00 0.56 H new ATOM 0 HD2 PRO S 3 4.594 1.664 -14.253 1.00 0.64 H new ATOM 0 HD3 PRO S 3 6.243 1.829 -13.681 1.00 0.64 H new ATOM 56 N LYS S 4 2.211 1.632 -10.214 1.00 0.34 N ATOM 57 CA LYS S 4 0.798 1.373 -10.010 1.00 0.31 C ATOM 58 C LYS S 4 0.458 1.884 -8.628 1.00 0.27 C ATOM 59 O LYS S 4 1.091 1.456 -7.687 1.00 0.26 O ATOM 60 CB LYS S 4 0.483 -0.151 -9.981 1.00 0.35 C ATOM 61 CG LYS S 4 1.486 -1.040 -9.240 1.00 0.56 C ATOM 62 CD LYS S 4 0.963 -2.468 -9.058 1.00 1.13 C ATOM 63 CE LYS S 4 1.868 -3.511 -9.719 1.00 1.47 C ATOM 64 NZ LYS S 4 1.544 -3.802 -11.120 1.00 2.11 N ATOM 0 H LYS S 4 2.596 2.336 -9.584 1.00 0.34 H new ATOM 0 HA LYS S 4 0.240 1.845 -10.818 1.00 0.31 H new ATOM 0 HB2 LYS S 4 -0.497 -0.289 -9.525 1.00 0.35 H new ATOM 0 HB3 LYS S 4 0.408 -0.504 -11.010 1.00 0.35 H new ATOM 0 HG2 LYS S 4 2.425 -1.066 -9.793 1.00 0.56 H new ATOM 0 HG3 LYS S 4 1.703 -0.606 -8.264 1.00 0.56 H new ATOM 0 HD2 LYS S 4 0.878 -2.688 -7.994 1.00 1.13 H new ATOM 0 HD3 LYS S 4 -0.039 -2.541 -9.480 1.00 1.13 H new ATOM 0 HE2 LYS S 4 2.900 -3.165 -9.663 1.00 1.47 H new ATOM 0 HE3 LYS S 4 1.811 -4.437 -9.147 1.00 1.47 H new ATOM 0 HZ1 LYS S 4 2.204 -4.516 -11.488 1.00 2.11 H new ATOM 0 HZ2 LYS S 4 0.571 -4.164 -11.183 1.00 2.11 H new ATOM 0 HZ3 LYS S 4 1.627 -2.932 -11.683 1.00 2.11 H new ATOM 78 N LEU S 5 -0.526 2.728 -8.501 1.00 0.33 N ATOM 79 CA LEU S 5 -0.904 3.252 -7.193 1.00 0.32 C ATOM 80 C LEU S 5 -1.466 2.077 -6.342 1.00 0.31 C ATOM 81 O LEU S 5 -1.662 0.973 -6.858 1.00 0.35 O ATOM 82 CB LEU S 5 -1.882 4.426 -7.397 1.00 0.34 C ATOM 83 CG LEU S 5 -1.881 5.048 -8.817 1.00 0.44 C ATOM 84 CD1 LEU S 5 -2.928 6.135 -8.997 1.00 0.40 C ATOM 85 CD2 LEU S 5 -0.537 5.639 -9.185 1.00 0.85 C ATOM 0 H LEU S 5 -1.088 3.075 -9.278 1.00 0.33 H new ATOM 0 HA LEU S 5 -0.057 3.658 -6.639 1.00 0.32 H new ATOM 0 HB2 LEU S 5 -2.891 4.081 -7.170 1.00 0.34 H new ATOM 0 HB3 LEU S 5 -1.642 5.207 -6.676 1.00 0.34 H new ATOM 0 HG LEU S 5 -2.117 4.212 -9.475 1.00 0.44 H new ATOM 0 HD11 LEU S 5 -2.874 6.528 -10.012 1.00 0.40 H new ATOM 0 HD12 LEU S 5 -3.920 5.718 -8.822 1.00 0.40 H new ATOM 0 HD13 LEU S 5 -2.743 6.940 -8.286 1.00 0.40 H new ATOM 0 HD21 LEU S 5 -0.588 6.062 -10.188 1.00 0.85 H new ATOM 0 HD22 LEU S 5 -0.277 6.423 -8.474 1.00 0.85 H new ATOM 0 HD23 LEU S 5 0.223 4.858 -9.159 1.00 0.85 H new ATOM 97 N LEU S 6 -1.723 2.318 -5.046 1.00 0.32 N ATOM 98 CA LEU S 6 -2.265 1.240 -4.199 1.00 0.36 C ATOM 99 C LEU S 6 -3.705 1.525 -3.768 1.00 0.40 C ATOM 100 O LEU S 6 -4.026 1.936 -2.662 1.00 0.70 O ATOM 101 CB LEU S 6 -1.373 1.045 -2.985 1.00 0.41 C ATOM 102 CG LEU S 6 -0.685 -0.282 -2.893 1.00 0.45 C ATOM 103 CD1 LEU S 6 0.026 -0.722 -4.174 1.00 1.49 C ATOM 104 CD2 LEU S 6 0.157 -0.201 -1.613 1.00 1.28 C ATOM 0 H LEU S 6 -1.573 3.210 -4.576 1.00 0.32 H new ATOM 0 HA LEU S 6 -2.281 0.323 -4.788 1.00 0.36 H new ATOM 0 HB2 LEU S 6 -0.615 1.828 -2.984 1.00 0.41 H new ATOM 0 HB3 LEU S 6 -1.976 1.184 -2.088 1.00 0.41 H new ATOM 0 HG LEU S 6 -1.389 -1.110 -2.811 1.00 0.45 H new ATOM 0 HD11 LEU S 6 0.495 -1.693 -4.015 1.00 1.49 H new ATOM 0 HD12 LEU S 6 -0.699 -0.798 -4.985 1.00 1.49 H new ATOM 0 HD13 LEU S 6 0.789 0.011 -4.437 1.00 1.49 H new ATOM 0 HD21 LEU S 6 0.695 -1.138 -1.472 1.00 1.28 H new ATOM 0 HD22 LEU S 6 0.871 0.618 -1.698 1.00 1.28 H new ATOM 0 HD23 LEU S 6 -0.496 -0.025 -0.758 1.00 1.28 H new ATOM 116 N TYR S 7 -4.604 1.289 -4.706 1.00 0.32 N ATOM 117 CA TYR S 7 -5.969 1.712 -4.439 1.00 0.36 C ATOM 118 C TYR S 7 -6.575 0.882 -3.300 1.00 0.48 C ATOM 119 O TYR S 7 -5.990 -0.117 -2.953 1.00 0.99 O ATOM 120 CB TYR S 7 -6.654 1.436 -5.757 1.00 0.44 C ATOM 121 CG TYR S 7 -7.978 2.094 -5.919 1.00 0.41 C ATOM 122 CD1 TYR S 7 -8.047 3.462 -5.747 1.00 1.29 C ATOM 123 CD2 TYR S 7 -9.130 1.397 -6.267 1.00 1.24 C ATOM 124 CE1 TYR S 7 -9.228 4.139 -5.954 1.00 1.34 C ATOM 125 CE2 TYR S 7 -10.320 2.059 -6.426 1.00 1.22 C ATOM 126 CZ TYR S 7 -10.374 3.418 -6.261 1.00 0.47 C ATOM 127 OH TYR S 7 -11.611 3.996 -6.351 1.00 0.54 O ATOM 0 H TYR S 7 -4.434 0.837 -5.604 1.00 0.32 H new ATOM 0 HA TYR S 7 -6.062 2.750 -4.118 1.00 0.36 H new ATOM 0 HB2 TYR S 7 -6.000 1.762 -6.566 1.00 0.44 H new ATOM 0 HB3 TYR S 7 -6.783 0.359 -5.865 1.00 0.44 H new ATOM 0 HD1 TYR S 7 -7.165 4.007 -5.447 1.00 1.29 H new ATOM 0 HD2 TYR S 7 -9.087 0.328 -6.413 1.00 1.24 H new ATOM 0 HE1 TYR S 7 -9.262 5.216 -5.879 1.00 1.34 H new ATOM 0 HE2 TYR S 7 -11.214 1.510 -6.681 1.00 1.22 H new ATOM 0 HH TYR S 7 -11.548 4.943 -6.106 1.00 0.54 H new ATOM 137 N CYS S 8 -7.757 1.240 -2.780 1.00 0.33 N ATOM 138 CA CYS S 8 -8.395 0.343 -1.810 1.00 0.36 C ATOM 139 C CYS S 8 -9.879 0.322 -1.925 1.00 0.43 C ATOM 140 O CYS S 8 -10.555 1.283 -2.285 1.00 0.72 O ATOM 141 CB CYS S 8 -8.208 0.888 -0.428 1.00 0.43 C ATOM 142 SG CYS S 8 -8.901 0.129 1.051 1.00 1.50 S ATOM 0 H CYS S 8 -8.267 2.096 -2.999 1.00 0.33 H new ATOM 0 HA CYS S 8 -7.951 -0.634 -1.998 1.00 0.36 H new ATOM 0 HB2 CYS S 8 -7.132 0.946 -0.266 1.00 0.43 H new ATOM 0 HB3 CYS S 8 -8.583 1.911 -0.450 1.00 0.43 H new ATOM 0 HG CYS S 8 -8.688 -1.153 1.021 1.00 1.50 H new ATOM 148 N SER S 9 -10.327 -0.813 -1.387 1.00 0.45 N ATOM 149 CA SER S 9 -11.754 -1.012 -1.397 1.00 0.55 C ATOM 150 C SER S 9 -12.467 -0.233 -0.273 1.00 0.51 C ATOM 151 O SER S 9 -13.681 -0.293 -0.132 1.00 0.67 O ATOM 152 CB SER S 9 -11.964 -2.518 -1.456 1.00 0.73 C ATOM 153 OG SER S 9 -11.451 -2.848 -2.715 1.00 1.13 O ATOM 0 H SER S 9 -9.762 -1.553 -0.970 1.00 0.45 H new ATOM 0 HA SER S 9 -12.242 -0.578 -2.270 1.00 0.55 H new ATOM 0 HB2 SER S 9 -11.434 -3.033 -0.655 1.00 0.73 H new ATOM 0 HB3 SER S 9 -13.017 -2.784 -1.365 1.00 0.73 H new ATOM 0 HG SER S 9 -11.536 -3.814 -2.860 1.00 1.13 H new ATOM 159 N ASN S 10 -11.718 0.530 0.549 1.00 0.44 N ATOM 160 CA ASN S 10 -12.404 1.265 1.611 1.00 0.49 C ATOM 161 C ASN S 10 -12.688 2.695 1.111 1.00 0.51 C ATOM 162 O ASN S 10 -12.320 3.634 1.771 1.00 0.80 O ATOM 163 CB ASN S 10 -11.578 1.227 2.938 1.00 0.60 C ATOM 164 CG ASN S 10 -12.113 0.276 3.999 1.00 0.77 C ATOM 165 OD1 ASN S 10 -13.305 0.063 4.109 1.00 1.20 O ATOM 166 ND2 ASN S 10 -11.183 -0.297 4.766 1.00 1.28 N ATOM 0 H ASN S 10 -10.706 0.646 0.501 1.00 0.44 H new ATOM 0 HA ASN S 10 -13.358 0.795 1.848 1.00 0.49 H new ATOM 0 HB2 ASN S 10 -10.552 0.945 2.702 1.00 0.60 H new ATOM 0 HB3 ASN S 10 -11.544 2.233 3.356 1.00 0.60 H new ATOM 0 HD21 ASN S 10 -11.458 -0.956 5.495 1.00 1.28 H new ATOM 0 HD22 ASN S 10 -10.197 -0.076 4.623 1.00 1.28 H new ATOM 173 N GLY S 11 -13.347 2.918 -0.027 1.00 0.43 N ATOM 174 CA GLY S 11 -13.522 4.347 -0.347 1.00 0.49 C ATOM 175 C GLY S 11 -13.134 4.631 -1.760 1.00 0.44 C ATOM 176 O GLY S 11 -13.716 5.492 -2.393 1.00 0.58 O ATOM 0 H GLY S 11 -13.729 2.230 -0.676 1.00 0.43 H new ATOM 0 HA2 GLY S 11 -14.561 4.634 -0.187 1.00 0.49 H new ATOM 0 HA3 GLY S 11 -12.916 4.951 0.328 1.00 0.49 H new ATOM 180 N GLY S 12 -12.112 3.874 -2.162 1.00 0.36 N ATOM 181 CA GLY S 12 -11.647 4.010 -3.518 1.00 0.39 C ATOM 182 C GLY S 12 -10.763 5.243 -3.659 1.00 0.38 C ATOM 183 O GLY S 12 -11.058 6.160 -4.407 1.00 0.51 O ATOM 0 H GLY S 12 -11.617 3.192 -1.587 1.00 0.36 H new ATOM 0 HA2 GLY S 12 -11.088 3.120 -3.808 1.00 0.39 H new ATOM 0 HA3 GLY S 12 -12.498 4.087 -4.194 1.00 0.39 H new ATOM 187 N TYR S 13 -9.666 5.226 -2.878 1.00 0.33 N ATOM 188 CA TYR S 13 -8.643 6.264 -3.028 1.00 0.33 C ATOM 189 C TYR S 13 -7.307 5.532 -3.245 1.00 0.29 C ATOM 190 O TYR S 13 -7.202 4.398 -2.793 1.00 0.35 O ATOM 191 CB TYR S 13 -8.590 7.062 -1.724 1.00 0.38 C ATOM 192 CG TYR S 13 -9.614 8.138 -1.594 1.00 0.48 C ATOM 193 CD1 TYR S 13 -10.910 7.806 -1.234 1.00 1.24 C ATOM 194 CD2 TYR S 13 -9.277 9.470 -1.810 1.00 1.36 C ATOM 195 CE1 TYR S 13 -11.867 8.795 -1.095 1.00 1.26 C ATOM 196 CE2 TYR S 13 -10.232 10.466 -1.672 1.00 1.46 C ATOM 197 CZ TYR S 13 -11.529 10.121 -1.312 1.00 0.75 C ATOM 198 OH TYR S 13 -12.487 11.095 -1.149 1.00 0.91 O ATOM 0 H TYR S 13 -9.473 4.527 -2.161 1.00 0.33 H new ATOM 0 HA TYR S 13 -8.852 6.939 -3.858 1.00 0.33 H new ATOM 0 HB2 TYR S 13 -8.705 6.371 -0.889 1.00 0.38 H new ATOM 0 HB3 TYR S 13 -7.601 7.511 -1.632 1.00 0.38 H new ATOM 0 HD1 TYR S 13 -11.174 6.773 -1.062 1.00 1.24 H new ATOM 0 HD2 TYR S 13 -8.266 9.730 -2.087 1.00 1.36 H new ATOM 0 HE1 TYR S 13 -12.877 8.534 -0.817 1.00 1.26 H new ATOM 0 HE2 TYR S 13 -9.970 11.500 -1.843 1.00 1.46 H new ATOM 0 HH TYR S 13 -12.095 11.974 -1.336 1.00 0.91 H new ATOM 208 N PHE S 14 -6.340 6.224 -3.887 1.00 0.26 N ATOM 209 CA PHE S 14 -5.055 5.627 -4.259 1.00 0.25 C ATOM 210 C PHE S 14 -3.996 5.805 -3.203 1.00 0.25 C ATOM 211 O PHE S 14 -3.737 6.895 -2.732 1.00 0.28 O ATOM 212 CB PHE S 14 -4.461 6.259 -5.517 1.00 0.26 C ATOM 213 CG PHE S 14 -5.227 5.876 -6.741 1.00 0.29 C ATOM 214 CD1 PHE S 14 -5.327 4.532 -7.039 1.00 1.28 C ATOM 215 CD2 PHE S 14 -5.821 6.797 -7.593 1.00 1.17 C ATOM 216 CE1 PHE S 14 -6.014 4.096 -8.150 1.00 1.32 C ATOM 217 CE2 PHE S 14 -6.529 6.362 -8.700 1.00 1.16 C ATOM 218 CZ PHE S 14 -6.615 5.013 -8.993 1.00 0.39 C ATOM 0 H PHE S 14 -6.435 7.203 -4.156 1.00 0.26 H new ATOM 0 HA PHE S 14 -5.296 4.574 -4.407 1.00 0.25 H new ATOM 0 HB2 PHE S 14 -4.459 7.344 -5.413 1.00 0.26 H new ATOM 0 HB3 PHE S 14 -3.422 5.947 -5.625 1.00 0.26 H new ATOM 0 HD1 PHE S 14 -4.858 3.809 -6.389 1.00 1.28 H new ATOM 0 HD2 PHE S 14 -5.731 7.854 -7.392 1.00 1.17 H new ATOM 0 HE1 PHE S 14 -6.083 3.039 -8.363 1.00 1.32 H new ATOM 0 HE2 PHE S 14 -7.018 7.082 -9.340 1.00 1.16 H new ATOM 0 HZ PHE S 14 -7.146 4.679 -9.872 1.00 0.39 H new ATOM 228 N LEU S 15 -3.366 4.675 -2.876 1.00 0.32 N ATOM 229 CA LEU S 15 -2.246 4.857 -1.994 1.00 0.36 C ATOM 230 C LEU S 15 -1.028 5.231 -2.754 1.00 0.34 C ATOM 231 O LEU S 15 -0.611 4.577 -3.709 1.00 0.40 O ATOM 232 CB LEU S 15 -1.869 3.631 -1.220 1.00 0.50 C ATOM 233 CG LEU S 15 -2.517 3.449 0.125 1.00 0.80 C ATOM 234 CD1 LEU S 15 -1.647 2.479 0.888 1.00 1.41 C ATOM 235 CD2 LEU S 15 -2.666 4.738 0.922 1.00 1.41 C ATOM 0 H LEU S 15 -3.589 3.726 -3.177 1.00 0.32 H new ATOM 0 HA LEU S 15 -2.576 5.637 -1.308 1.00 0.36 H new ATOM 0 HB2 LEU S 15 -2.104 2.759 -1.830 1.00 0.50 H new ATOM 0 HB3 LEU S 15 -0.788 3.639 -1.078 1.00 0.50 H new ATOM 0 HG LEU S 15 -3.534 3.086 -0.025 1.00 0.80 H new ATOM 0 HD11 LEU S 15 -2.072 2.309 1.877 1.00 1.41 H new ATOM 0 HD12 LEU S 15 -1.596 1.534 0.348 1.00 1.41 H new ATOM 0 HD13 LEU S 15 -0.644 2.893 0.991 1.00 1.41 H new ATOM 0 HD21 LEU S 15 -3.142 4.521 1.879 1.00 1.41 H new ATOM 0 HD22 LEU S 15 -1.682 5.174 1.096 1.00 1.41 H new ATOM 0 HD23 LEU S 15 -3.281 5.443 0.362 1.00 1.41 H new ATOM 247 N ARG S 16 -0.459 6.180 -2.059 1.00 0.31 N ATOM 248 CA ARG S 16 0.772 6.741 -2.411 1.00 0.34 C ATOM 249 C ARG S 16 1.318 7.327 -1.159 1.00 0.37 C ATOM 250 O ARG S 16 0.749 7.132 -0.102 1.00 0.45 O ATOM 251 CB ARG S 16 0.440 7.809 -3.377 1.00 0.37 C ATOM 252 CG ARG S 16 -0.400 8.926 -2.768 1.00 0.42 C ATOM 253 CD ARG S 16 0.401 10.172 -2.447 1.00 0.98 C ATOM 254 NE ARG S 16 -0.543 11.253 -2.608 1.00 1.13 N ATOM 255 CZ ARG S 16 -0.201 12.540 -2.565 1.00 1.41 C ATOM 256 NH1 ARG S 16 0.805 13.033 -3.299 1.00 2.03 N ATOM 257 NH2 ARG S 16 -0.923 13.253 -1.713 1.00 2.02 N ATOM 0 H ARG S 16 -0.868 6.579 -1.214 1.00 0.31 H new ATOM 0 HA ARG S 16 1.491 6.044 -2.840 1.00 0.34 H new ATOM 0 HB2 ARG S 16 1.363 8.232 -3.774 1.00 0.37 H new ATOM 0 HB3 ARG S 16 -0.099 7.375 -4.219 1.00 0.37 H new ATOM 0 HG2 ARG S 16 -1.202 9.186 -3.459 1.00 0.42 H new ATOM 0 HG3 ARG S 16 -0.871 8.561 -1.856 1.00 0.42 H new ATOM 0 HD2 ARG S 16 0.799 10.139 -1.433 1.00 0.98 H new ATOM 0 HD3 ARG S 16 1.251 10.283 -3.120 1.00 0.98 H new ATOM 0 HE ARG S 16 -1.524 11.019 -2.763 1.00 1.13 H new ATOM 0 HH11 ARG S 16 1.336 12.418 -3.915 1.00 2.03 H new ATOM 0 HH12 ARG S 16 1.040 14.024 -3.242 1.00 2.03 H new ATOM 0 HH21 ARG S 16 -1.659 12.804 -1.168 1.00 2.02 H new ATOM 0 HH22 ARG S 16 -0.743 14.251 -1.602 1.00 2.02 H new ATOM 271 N ILE S 17 2.389 8.077 -1.356 1.00 0.49 N ATOM 272 CA ILE S 17 3.006 8.814 -0.294 1.00 0.61 C ATOM 273 C ILE S 17 3.383 10.189 -0.884 1.00 0.76 C ATOM 274 O ILE S 17 3.970 10.260 -1.955 1.00 1.18 O ATOM 275 CB ILE S 17 4.202 7.968 0.117 1.00 0.76 C ATOM 276 CG1 ILE S 17 5.279 7.935 -0.976 1.00 1.50 C ATOM 277 CG2 ILE S 17 3.847 6.530 0.581 1.00 1.09 C ATOM 278 CD1 ILE S 17 6.591 8.706 -0.680 1.00 2.48 C ATOM 0 H ILE S 17 2.847 8.185 -2.261 1.00 0.49 H new ATOM 0 HA ILE S 17 2.389 8.999 0.585 1.00 0.61 H new ATOM 0 HB ILE S 17 4.605 8.472 0.996 1.00 0.76 H new ATOM 0 HG12 ILE S 17 5.533 6.893 -1.173 1.00 1.50 H new ATOM 0 HG13 ILE S 17 4.847 8.337 -1.893 1.00 1.50 H new ATOM 0 HG21 ILE S 17 4.760 6.000 0.854 1.00 1.09 H new ATOM 0 HG22 ILE S 17 3.184 6.580 1.444 1.00 1.09 H new ATOM 0 HG23 ILE S 17 3.348 5.999 -0.230 1.00 1.09 H new ATOM 0 HD11 ILE S 17 7.270 8.607 -1.527 1.00 2.48 H new ATOM 0 HD12 ILE S 17 6.365 9.760 -0.518 1.00 2.48 H new ATOM 0 HD13 ILE S 17 7.062 8.294 0.213 1.00 2.48 H new ATOM 290 N PHE S 18 2.957 11.273 -0.194 1.00 0.87 N ATOM 291 CA PHE S 18 3.393 12.595 -0.671 1.00 1.08 C ATOM 292 C PHE S 18 4.839 12.883 -0.176 1.00 1.24 C ATOM 293 O PHE S 18 5.760 12.326 -0.743 1.00 1.82 O ATOM 294 CB PHE S 18 2.302 13.655 -0.470 1.00 1.59 C ATOM 295 CG PHE S 18 2.524 15.011 -1.150 1.00 1.94 C ATOM 296 CD1 PHE S 18 3.792 15.542 -1.429 1.00 2.33 C ATOM 297 CD2 PHE S 18 1.423 15.797 -1.488 1.00 2.61 C ATOM 298 CE1 PHE S 18 3.962 16.810 -1.957 1.00 2.86 C ATOM 299 CE2 PHE S 18 1.585 17.056 -2.054 1.00 3.23 C ATOM 300 CZ PHE S 18 2.853 17.572 -2.269 1.00 3.18 C ATOM 0 H PHE S 18 2.358 11.263 0.632 1.00 0.87 H new ATOM 0 HA PHE S 18 3.502 12.626 -1.755 1.00 1.08 H new ATOM 0 HB2 PHE S 18 1.359 13.244 -0.830 1.00 1.59 H new ATOM 0 HB3 PHE S 18 2.187 13.826 0.600 1.00 1.59 H new ATOM 0 HD1 PHE S 18 4.666 14.941 -1.225 1.00 2.33 H new ATOM 0 HD2 PHE S 18 0.427 15.421 -1.307 1.00 2.61 H new ATOM 0 HE1 PHE S 18 4.955 17.201 -2.124 1.00 2.86 H new ATOM 0 HE2 PHE S 18 0.716 17.636 -2.328 1.00 3.23 H new ATOM 0 HZ PHE S 18 2.973 18.564 -2.678 1.00 3.18 H new ATOM 310 N PRO S 19 5.095 13.785 0.822 1.00 1.58 N ATOM 311 CA PRO S 19 6.467 14.255 0.994 1.00 2.28 C ATOM 312 C PRO S 19 7.292 13.307 1.870 1.00 1.83 C ATOM 313 O PRO S 19 8.287 12.735 1.457 1.00 2.47 O ATOM 314 CB PRO S 19 6.304 15.625 1.663 1.00 3.23 C ATOM 315 CG PRO S 19 4.936 15.609 2.352 1.00 3.11 C ATOM 316 CD PRO S 19 4.155 14.464 1.716 1.00 2.06 C ATOM 0 HA PRO S 19 7.006 14.305 0.048 1.00 2.28 H new ATOM 0 HB2 PRO S 19 7.101 15.802 2.385 1.00 3.23 H new ATOM 0 HB3 PRO S 19 6.358 16.426 0.926 1.00 3.23 H new ATOM 0 HG2 PRO S 19 5.043 15.459 3.426 1.00 3.11 H new ATOM 0 HG3 PRO S 19 4.419 16.558 2.213 1.00 3.11 H new ATOM 0 HD2 PRO S 19 3.776 13.781 2.476 1.00 2.06 H new ATOM 0 HD3 PRO S 19 3.293 14.838 1.165 1.00 2.06 H new ATOM 324 N ASP S 20 6.792 13.171 3.104 1.00 1.21 N ATOM 325 CA ASP S 20 7.405 12.390 4.173 1.00 1.04 C ATOM 326 C ASP S 20 7.058 10.908 4.033 1.00 0.89 C ATOM 327 O ASP S 20 6.873 10.185 5.000 1.00 1.07 O ATOM 328 CB ASP S 20 6.765 12.889 5.485 1.00 1.50 C ATOM 329 CG ASP S 20 7.676 13.851 6.215 1.00 1.54 C ATOM 330 OD1 ASP S 20 8.783 13.448 6.540 1.00 1.88 O ATOM 331 OD2 ASP S 20 7.235 14.969 6.473 1.00 2.05 O ATOM 0 H ASP S 20 5.921 13.618 3.390 1.00 1.21 H new ATOM 0 HA ASP S 20 8.489 12.503 4.146 1.00 1.04 H new ATOM 0 HB2 ASP S 20 5.817 13.380 5.265 1.00 1.50 H new ATOM 0 HB3 ASP S 20 6.542 12.038 6.129 1.00 1.50 H new ATOM 336 N GLY S 21 6.793 10.524 2.790 1.00 0.78 N ATOM 337 CA GLY S 21 6.375 9.154 2.642 1.00 0.86 C ATOM 338 C GLY S 21 5.076 8.757 3.394 1.00 0.82 C ATOM 339 O GLY S 21 4.705 7.592 3.494 1.00 1.24 O ATOM 0 H GLY S 21 6.854 11.090 1.944 1.00 0.78 H new ATOM 0 HA2 GLY S 21 6.234 8.950 1.581 1.00 0.86 H new ATOM 0 HA3 GLY S 21 7.183 8.509 2.986 1.00 0.86 H new ATOM 343 N LYS S 22 4.391 9.803 3.904 1.00 0.70 N ATOM 344 CA LYS S 22 3.139 9.608 4.609 1.00 0.76 C ATOM 345 C LYS S 22 2.115 9.140 3.645 1.00 0.59 C ATOM 346 O LYS S 22 1.791 9.840 2.700 1.00 0.72 O ATOM 347 CB LYS S 22 2.622 10.940 5.125 1.00 0.94 C ATOM 348 CG LYS S 22 2.909 11.032 6.604 1.00 1.66 C ATOM 349 CD LYS S 22 3.312 12.438 6.955 1.00 1.71 C ATOM 350 CE LYS S 22 3.448 12.557 8.460 1.00 2.03 C ATOM 351 NZ LYS S 22 3.222 13.932 8.852 1.00 2.53 N ATOM 0 H LYS S 22 4.693 10.775 3.834 1.00 0.70 H new ATOM 0 HA LYS S 22 3.310 8.900 5.420 1.00 0.76 H new ATOM 0 HB2 LYS S 22 3.103 11.762 4.595 1.00 0.94 H new ATOM 0 HB3 LYS S 22 1.551 11.026 4.942 1.00 0.94 H new ATOM 0 HG2 LYS S 22 2.026 10.743 7.174 1.00 1.66 H new ATOM 0 HG3 LYS S 22 3.704 10.337 6.874 1.00 1.66 H new ATOM 0 HD2 LYS S 22 4.256 12.690 6.472 1.00 1.71 H new ATOM 0 HD3 LYS S 22 2.568 13.145 6.588 1.00 1.71 H new ATOM 0 HE2 LYS S 22 2.730 11.903 8.955 1.00 2.03 H new ATOM 0 HE3 LYS S 22 4.441 12.236 8.774 1.00 2.03 H new ATOM 0 HZ1 LYS S 22 3.314 14.018 9.884 1.00 2.53 H new ATOM 0 HZ2 LYS S 22 3.923 14.545 8.389 1.00 2.53 H new ATOM 0 HZ3 LYS S 22 2.266 14.222 8.565 1.00 2.53 H new ATOM 365 N VAL S 23 1.666 7.923 3.919 1.00 0.55 N ATOM 366 CA VAL S 23 0.935 7.281 2.856 1.00 0.47 C ATOM 367 C VAL S 23 -0.480 7.847 2.890 1.00 0.48 C ATOM 368 O VAL S 23 -0.937 8.227 3.974 1.00 0.65 O ATOM 369 CB VAL S 23 0.959 5.786 3.156 1.00 0.56 C ATOM 370 CG1 VAL S 23 0.539 4.863 2.013 1.00 1.08 C ATOM 371 CG2 VAL S 23 2.214 5.284 3.821 1.00 1.22 C ATOM 0 H VAL S 23 1.783 7.404 4.789 1.00 0.55 H new ATOM 0 HA VAL S 23 1.355 7.450 1.865 1.00 0.47 H new ATOM 0 HB VAL S 23 0.161 5.723 3.896 1.00 0.56 H new ATOM 0 HG11 VAL S 23 0.596 3.826 2.343 1.00 1.08 H new ATOM 0 HG12 VAL S 23 -0.484 5.094 1.716 1.00 1.08 H new ATOM 0 HG13 VAL S 23 1.205 5.010 1.163 1.00 1.08 H new ATOM 0 HG21 VAL S 23 2.131 4.211 3.991 1.00 1.22 H new ATOM 0 HG22 VAL S 23 3.071 5.484 3.178 1.00 1.22 H new ATOM 0 HG23 VAL S 23 2.349 5.793 4.775 1.00 1.22 H new ATOM 381 N ASP S 24 -1.206 7.760 1.781 1.00 0.43 N ATOM 382 CA ASP S 24 -2.487 8.424 1.797 1.00 0.48 C ATOM 383 C ASP S 24 -3.265 8.024 0.586 1.00 0.44 C ATOM 384 O ASP S 24 -2.704 7.595 -0.387 1.00 0.54 O ATOM 385 CB ASP S 24 -2.337 9.949 1.885 1.00 0.60 C ATOM 386 CG ASP S 24 -1.461 10.505 0.775 1.00 1.02 C ATOM 387 OD1 ASP S 24 -2.015 10.716 -0.297 1.00 1.46 O ATOM 388 OD2 ASP S 24 -0.279 10.739 1.004 1.00 1.84 O ATOM 0 H ASP S 24 -0.950 7.273 0.922 1.00 0.43 H new ATOM 0 HA ASP S 24 -3.030 8.114 2.690 1.00 0.48 H new ATOM 0 HB2 ASP S 24 -3.322 10.413 1.835 1.00 0.60 H new ATOM 0 HB3 ASP S 24 -1.909 10.215 2.851 1.00 0.60 H new ATOM 393 N GLY S 25 -4.592 8.120 0.731 1.00 0.42 N ATOM 394 CA GLY S 25 -5.465 7.869 -0.385 1.00 0.41 C ATOM 395 C GLY S 25 -5.740 9.114 -1.197 1.00 0.42 C ATOM 396 O GLY S 25 -6.299 10.060 -0.660 1.00 0.64 O ATOM 0 H GLY S 25 -5.064 8.366 1.601 1.00 0.42 H new ATOM 0 HA2 GLY S 25 -5.018 7.111 -1.028 1.00 0.41 H new ATOM 0 HA3 GLY S 25 -6.408 7.462 -0.020 1.00 0.41 H new ATOM 400 N THR S 26 -5.446 8.999 -2.490 1.00 0.29 N ATOM 401 CA THR S 26 -5.616 10.072 -3.439 1.00 0.32 C ATOM 402 C THR S 26 -6.368 9.500 -4.640 1.00 0.28 C ATOM 403 O THR S 26 -5.808 8.815 -5.457 1.00 0.28 O ATOM 404 CB THR S 26 -4.190 10.544 -3.787 1.00 0.44 C ATOM 405 OG1 THR S 26 -4.194 11.803 -4.397 1.00 0.77 O ATOM 406 CG2 THR S 26 -3.336 9.590 -4.624 1.00 0.47 C ATOM 0 H THR S 26 -5.079 8.142 -2.904 1.00 0.29 H new ATOM 0 HA THR S 26 -6.191 10.921 -3.069 1.00 0.32 H new ATOM 0 HB THR S 26 -3.712 10.583 -2.808 1.00 0.44 H new ATOM 0 HG1 THR S 26 -3.318 11.973 -4.802 1.00 0.77 H new ATOM 0 HG21 THR S 26 -2.358 10.037 -4.800 1.00 0.47 H new ATOM 0 HG22 THR S 26 -3.214 8.648 -4.090 1.00 0.47 H new ATOM 0 HG23 THR S 26 -3.827 9.405 -5.579 1.00 0.47 H new ATOM 414 N ARG S 27 -7.656 9.734 -4.805 1.00 0.37 N ATOM 415 CA ARG S 27 -8.269 9.191 -6.023 1.00 0.45 C ATOM 416 C ARG S 27 -7.749 9.855 -7.335 1.00 0.43 C ATOM 417 O ARG S 27 -8.213 9.518 -8.422 1.00 0.48 O ATOM 418 CB ARG S 27 -9.766 9.398 -5.902 1.00 0.57 C ATOM 419 CG ARG S 27 -10.053 10.866 -5.588 1.00 1.20 C ATOM 420 CD ARG S 27 -11.530 11.149 -5.626 1.00 1.36 C ATOM 421 NE ARG S 27 -11.693 12.547 -5.971 1.00 1.87 N ATOM 422 CZ ARG S 27 -12.791 12.913 -6.635 1.00 2.25 C ATOM 423 NH1 ARG S 27 -12.994 12.425 -7.857 1.00 2.94 N ATOM 424 NH2 ARG S 27 -13.646 13.727 -6.034 1.00 2.60 N ATOM 0 H ARG S 27 -8.266 10.253 -4.173 1.00 0.37 H new ATOM 0 HA ARG S 27 -8.002 8.137 -6.100 1.00 0.45 H new ATOM 0 HB2 ARG S 27 -10.260 9.110 -6.830 1.00 0.57 H new ATOM 0 HB3 ARG S 27 -10.170 8.761 -5.115 1.00 0.57 H new ATOM 0 HG2 ARG S 27 -9.657 11.115 -4.603 1.00 1.20 H new ATOM 0 HG3 ARG S 27 -9.539 11.502 -6.308 1.00 1.20 H new ATOM 0 HD2 ARG S 27 -12.024 10.512 -6.360 1.00 1.36 H new ATOM 0 HD3 ARG S 27 -11.987 10.936 -4.660 1.00 1.36 H new ATOM 0 HE ARG S 27 -10.985 13.235 -5.712 1.00 1.87 H new ATOM 0 HH11 ARG S 27 -12.316 11.784 -8.269 1.00 2.94 H new ATOM 0 HH12 ARG S 27 -13.827 12.692 -8.381 1.00 2.94 H new ATOM 0 HH21 ARG S 27 -13.457 14.057 -5.088 1.00 2.60 H new ATOM 0 HH22 ARG S 27 -14.494 14.023 -6.517 1.00 2.60 H new ATOM 438 N ASP S 28 -6.800 10.782 -7.185 1.00 0.39 N ATOM 439 CA ASP S 28 -6.215 11.554 -8.259 1.00 0.41 C ATOM 440 C ASP S 28 -5.072 10.734 -8.810 1.00 0.39 C ATOM 441 O ASP S 28 -3.922 10.971 -8.531 1.00 0.39 O ATOM 442 CB ASP S 28 -5.709 12.892 -7.685 1.00 0.43 C ATOM 443 CG ASP S 28 -6.921 13.705 -7.214 1.00 0.56 C ATOM 444 OD1 ASP S 28 -7.596 13.267 -6.275 1.00 1.36 O ATOM 445 OD2 ASP S 28 -7.223 14.721 -7.836 1.00 1.05 O ATOM 0 H ASP S 28 -6.410 11.017 -6.272 1.00 0.39 H new ATOM 0 HA ASP S 28 -6.932 11.774 -9.050 1.00 0.41 H new ATOM 0 HB2 ASP S 28 -5.025 12.714 -6.855 1.00 0.43 H new ATOM 0 HB3 ASP S 28 -5.153 13.444 -8.443 1.00 0.43 H new ATOM 450 N ARG S 29 -5.407 9.725 -9.618 1.00 0.43 N ATOM 451 CA ARG S 29 -4.296 8.941 -10.189 1.00 0.47 C ATOM 452 C ARG S 29 -3.261 9.753 -11.009 1.00 0.47 C ATOM 453 O ARG S 29 -2.156 9.293 -11.277 1.00 0.50 O ATOM 454 CB ARG S 29 -4.804 7.875 -11.146 1.00 0.56 C ATOM 455 CG ARG S 29 -5.840 8.438 -12.097 1.00 0.62 C ATOM 456 CD ARG S 29 -6.020 7.505 -13.271 1.00 1.00 C ATOM 457 NE ARG S 29 -6.467 8.330 -14.374 1.00 1.57 N ATOM 458 CZ ARG S 29 -7.376 7.936 -15.269 1.00 1.98 C ATOM 459 NH1 ARG S 29 -7.835 6.684 -15.233 1.00 2.33 N ATOM 460 NH2 ARG S 29 -7.805 8.814 -16.165 1.00 2.70 N ATOM 0 H ARG S 29 -6.352 9.443 -9.879 1.00 0.43 H new ATOM 0 HA ARG S 29 -3.813 8.533 -9.301 1.00 0.47 H new ATOM 0 HB2 ARG S 29 -3.969 7.466 -11.715 1.00 0.56 H new ATOM 0 HB3 ARG S 29 -5.237 7.051 -10.579 1.00 0.56 H new ATOM 0 HG2 ARG S 29 -6.789 8.571 -11.578 1.00 0.62 H new ATOM 0 HG3 ARG S 29 -5.528 9.422 -12.448 1.00 0.62 H new ATOM 0 HD2 ARG S 29 -5.085 7.001 -13.515 1.00 1.00 H new ATOM 0 HD3 ARG S 29 -6.751 6.729 -13.044 1.00 1.00 H new ATOM 0 HE ARG S 29 -6.066 9.263 -14.472 1.00 1.57 H new ATOM 0 HH11 ARG S 29 -7.491 6.035 -14.525 1.00 2.33 H new ATOM 0 HH12 ARG S 29 -8.530 6.376 -15.913 1.00 2.33 H new ATOM 0 HH21 ARG S 29 -7.441 9.767 -16.160 1.00 2.70 H new ATOM 0 HH22 ARG S 29 -8.499 8.537 -16.859 1.00 2.70 H new ATOM 474 N SER S 30 -3.783 10.907 -11.454 1.00 0.48 N ATOM 475 CA SER S 30 -3.067 11.834 -12.299 1.00 0.51 C ATOM 476 C SER S 30 -1.889 12.462 -11.576 1.00 0.53 C ATOM 477 O SER S 30 -0.948 12.918 -12.199 1.00 0.62 O ATOM 478 CB SER S 30 -4.006 13.000 -12.615 1.00 0.52 C ATOM 479 OG SER S 30 -4.998 12.621 -13.536 1.00 1.40 O ATOM 0 H SER S 30 -4.729 11.213 -11.225 1.00 0.48 H new ATOM 0 HA SER S 30 -2.725 11.286 -13.177 1.00 0.51 H new ATOM 0 HB2 SER S 30 -4.475 13.351 -11.696 1.00 0.52 H new ATOM 0 HB3 SER S 30 -3.431 13.834 -13.019 1.00 0.52 H new ATOM 0 HG SER S 30 -5.584 13.385 -13.718 1.00 1.40 H new ATOM 485 N ASP S 31 -2.041 12.542 -10.249 1.00 0.48 N ATOM 486 CA ASP S 31 -1.055 13.183 -9.394 1.00 0.55 C ATOM 487 C ASP S 31 0.357 12.662 -9.820 1.00 0.68 C ATOM 488 O ASP S 31 0.603 11.457 -9.916 1.00 0.76 O ATOM 489 CB ASP S 31 -1.391 12.782 -7.956 1.00 0.49 C ATOM 490 CG ASP S 31 -1.436 13.764 -6.795 1.00 0.90 C ATOM 491 OD1 ASP S 31 -0.612 14.658 -6.742 1.00 1.62 O ATOM 492 OD2 ASP S 31 -2.304 13.602 -5.930 1.00 1.51 O ATOM 0 H ASP S 31 -2.846 12.166 -9.748 1.00 0.48 H new ATOM 0 HA ASP S 31 -1.060 14.270 -9.477 1.00 0.55 H new ATOM 0 HB2 ASP S 31 -2.371 12.306 -7.992 1.00 0.49 H new ATOM 0 HB3 ASP S 31 -0.672 12.011 -7.677 1.00 0.49 H new ATOM 497 N PRO S 32 1.269 13.614 -10.110 1.00 0.93 N ATOM 498 CA PRO S 32 2.546 13.288 -10.733 1.00 1.10 C ATOM 499 C PRO S 32 3.511 12.550 -9.824 1.00 0.86 C ATOM 500 O PRO S 32 4.682 12.397 -10.169 1.00 1.06 O ATOM 501 CB PRO S 32 3.133 14.646 -11.133 1.00 1.53 C ATOM 502 CG PRO S 32 2.410 15.681 -10.261 1.00 1.61 C ATOM 503 CD PRO S 32 1.101 15.029 -9.825 1.00 1.23 C ATOM 0 HA PRO S 32 2.390 12.607 -11.569 1.00 1.10 H new ATOM 0 HB2 PRO S 32 4.209 14.673 -10.963 1.00 1.53 H new ATOM 0 HB3 PRO S 32 2.973 14.846 -12.193 1.00 1.53 H new ATOM 0 HG2 PRO S 32 3.016 15.954 -9.397 1.00 1.61 H new ATOM 0 HG3 PRO S 32 2.221 16.598 -10.820 1.00 1.61 H new ATOM 0 HD2 PRO S 32 0.911 15.198 -8.765 1.00 1.23 H new ATOM 0 HD3 PRO S 32 0.253 15.443 -10.371 1.00 1.23 H new ATOM 511 N TYR S 33 2.959 12.140 -8.668 1.00 0.81 N ATOM 512 CA TYR S 33 3.715 11.573 -7.604 1.00 0.65 C ATOM 513 C TYR S 33 2.734 10.956 -6.617 1.00 0.71 C ATOM 514 O TYR S 33 2.719 11.275 -5.434 1.00 1.40 O ATOM 515 CB TYR S 33 4.576 12.694 -6.968 1.00 0.74 C ATOM 516 CG TYR S 33 6.059 12.604 -7.228 1.00 0.72 C ATOM 517 CD1 TYR S 33 6.637 11.785 -8.207 1.00 1.13 C ATOM 518 CD2 TYR S 33 6.899 13.341 -6.403 1.00 1.66 C ATOM 519 CE1 TYR S 33 8.009 11.754 -8.388 1.00 1.22 C ATOM 520 CE2 TYR S 33 8.270 13.293 -6.564 1.00 1.85 C ATOM 521 CZ TYR S 33 8.820 12.533 -7.573 1.00 1.17 C ATOM 522 OH TYR S 33 10.183 12.588 -7.756 1.00 1.49 O ATOM 0 H TYR S 33 1.960 12.206 -8.472 1.00 0.81 H new ATOM 0 HA TYR S 33 4.393 10.790 -7.944 1.00 0.65 H new ATOM 0 HB2 TYR S 33 4.218 13.655 -7.337 1.00 0.74 H new ATOM 0 HB3 TYR S 33 4.413 12.685 -5.890 1.00 0.74 H new ATOM 0 HD1 TYR S 33 6.004 11.170 -8.829 1.00 1.13 H new ATOM 0 HD2 TYR S 33 6.475 13.959 -5.626 1.00 1.66 H new ATOM 0 HE1 TYR S 33 8.444 11.131 -9.155 1.00 1.22 H new ATOM 0 HE2 TYR S 33 8.911 13.852 -5.898 1.00 1.85 H new ATOM 0 HH TYR S 33 10.579 13.187 -7.089 1.00 1.49 H new ATOM 532 N ILE S 34 1.942 10.008 -7.151 1.00 0.37 N ATOM 533 CA ILE S 34 1.180 9.176 -6.231 1.00 0.40 C ATOM 534 C ILE S 34 1.242 7.705 -6.602 1.00 0.37 C ATOM 535 O ILE S 34 0.389 6.889 -6.269 1.00 0.65 O ATOM 536 CB ILE S 34 -0.240 9.709 -6.125 1.00 0.54 C ATOM 537 CG1 ILE S 34 -0.992 9.757 -7.440 1.00 0.69 C ATOM 538 CG2 ILE S 34 -0.152 11.104 -5.506 1.00 0.61 C ATOM 539 CD1 ILE S 34 -1.681 8.496 -7.842 1.00 1.09 C ATOM 0 H ILE S 34 1.822 9.814 -8.145 1.00 0.37 H new ATOM 0 HA ILE S 34 1.634 9.233 -5.241 1.00 0.40 H new ATOM 0 HB ILE S 34 -0.815 9.020 -5.507 1.00 0.54 H new ATOM 0 HG12 ILE S 34 -1.735 10.552 -7.383 1.00 0.69 H new ATOM 0 HG13 ILE S 34 -0.291 10.032 -8.228 1.00 0.69 H new ATOM 0 HG21 ILE S 34 -1.153 11.524 -5.412 1.00 0.61 H new ATOM 0 HG22 ILE S 34 0.307 11.036 -4.520 1.00 0.61 H new ATOM 0 HG23 ILE S 34 0.453 11.748 -6.144 1.00 0.61 H new ATOM 0 HD11 ILE S 34 -2.186 8.645 -8.797 1.00 1.09 H new ATOM 0 HD12 ILE S 34 -0.947 7.696 -7.941 1.00 1.09 H new ATOM 0 HD13 ILE S 34 -2.414 8.224 -7.083 1.00 1.09 H new ATOM 551 N GLN S 35 2.279 7.367 -7.361 1.00 0.43 N ATOM 552 CA GLN S 35 2.407 5.963 -7.700 1.00 0.43 C ATOM 553 C GLN S 35 2.864 5.179 -6.481 1.00 0.36 C ATOM 554 O GLN S 35 3.177 5.743 -5.441 1.00 0.58 O ATOM 555 CB GLN S 35 3.227 5.826 -8.984 1.00 0.54 C ATOM 556 CG GLN S 35 2.433 6.295 -10.244 1.00 0.73 C ATOM 557 CD GLN S 35 3.274 7.210 -11.148 1.00 1.18 C ATOM 558 OE1 GLN S 35 4.342 7.614 -10.728 1.00 1.64 O ATOM 559 NE2 GLN S 35 2.796 7.465 -12.375 1.00 1.89 N ATOM 0 H GLN S 35 2.993 7.996 -7.729 1.00 0.43 H new ATOM 0 HA GLN S 35 1.452 5.500 -7.951 1.00 0.43 H new ATOM 0 HB2 GLN S 35 4.141 6.413 -8.894 1.00 0.54 H new ATOM 0 HB3 GLN S 35 3.527 4.786 -9.112 1.00 0.54 H new ATOM 0 HG2 GLN S 35 2.108 5.424 -10.812 1.00 0.73 H new ATOM 0 HG3 GLN S 35 1.533 6.824 -9.929 1.00 0.73 H new ATOM 0 HE21 GLN S 35 1.890 7.091 -12.657 1.00 1.89 H new ATOM 0 HE22 GLN S 35 3.339 8.033 -13.026 1.00 1.89 H new ATOM 568 N LEU S 36 2.832 3.868 -6.766 1.00 0.33 N ATOM 569 CA LEU S 36 3.247 2.820 -5.864 1.00 0.38 C ATOM 570 C LEU S 36 3.662 1.624 -6.764 1.00 0.35 C ATOM 571 O LEU S 36 3.797 1.762 -7.992 1.00 0.51 O ATOM 572 CB LEU S 36 2.086 2.542 -4.846 1.00 0.49 C ATOM 573 CG LEU S 36 2.342 2.706 -3.318 1.00 0.70 C ATOM 574 CD1 LEU S 36 2.934 1.452 -2.679 1.00 1.26 C ATOM 575 CD2 LEU S 36 3.188 3.913 -2.935 1.00 1.21 C ATOM 0 H LEU S 36 2.503 3.513 -7.664 1.00 0.33 H new ATOM 0 HA LEU S 36 4.104 3.069 -5.238 1.00 0.38 H new ATOM 0 HB2 LEU S 36 1.258 3.200 -5.110 1.00 0.49 H new ATOM 0 HB3 LEU S 36 1.746 1.520 -5.011 1.00 0.49 H new ATOM 0 HG LEU S 36 1.342 2.878 -2.919 1.00 0.70 H new ATOM 0 HD11 LEU S 36 3.091 1.625 -1.614 1.00 1.26 H new ATOM 0 HD12 LEU S 36 2.247 0.616 -2.813 1.00 1.26 H new ATOM 0 HD13 LEU S 36 3.887 1.218 -3.153 1.00 1.26 H new ATOM 0 HD21 LEU S 36 3.311 3.942 -1.852 1.00 1.21 H new ATOM 0 HD22 LEU S 36 4.166 3.837 -3.410 1.00 1.21 H new ATOM 0 HD23 LEU S 36 2.693 4.825 -3.269 1.00 1.21 H new ATOM 587 N GLN S 37 3.843 0.455 -6.146 1.00 0.30 N ATOM 588 CA GLN S 37 4.235 -0.735 -6.894 1.00 0.34 C ATOM 589 C GLN S 37 4.056 -1.839 -5.915 1.00 0.25 C ATOM 590 O GLN S 37 4.585 -1.615 -4.871 1.00 0.36 O ATOM 591 CB GLN S 37 5.742 -0.695 -7.145 1.00 0.50 C ATOM 592 CG GLN S 37 6.335 -1.769 -8.022 1.00 0.81 C ATOM 593 CD GLN S 37 7.737 -1.405 -8.484 1.00 1.35 C ATOM 594 OE1 GLN S 37 8.738 -1.930 -8.026 1.00 2.07 O ATOM 595 NE2 GLN S 37 7.768 -0.383 -9.343 1.00 1.88 N ATOM 0 H GLN S 37 3.726 0.310 -5.143 1.00 0.30 H new ATOM 0 HA GLN S 37 3.681 -0.827 -7.828 1.00 0.34 H new ATOM 0 HB2 GLN S 37 5.983 0.271 -7.589 1.00 0.50 H new ATOM 0 HB3 GLN S 37 6.244 -0.736 -6.178 1.00 0.50 H new ATOM 0 HG2 GLN S 37 6.365 -2.711 -7.474 1.00 0.81 H new ATOM 0 HG3 GLN S 37 5.695 -1.925 -8.890 1.00 0.81 H new ATOM 0 HE21 GLN S 37 6.897 0.016 -9.693 1.00 1.88 H new ATOM 0 HE22 GLN S 37 8.663 -0.001 -9.649 1.00 1.88 H new ATOM 604 N PHE S 38 3.414 -2.954 -6.274 1.00 0.35 N ATOM 605 CA PHE S 38 3.268 -4.187 -5.493 1.00 0.41 C ATOM 606 C PHE S 38 4.087 -5.265 -6.170 1.00 0.37 C ATOM 607 O PHE S 38 3.724 -5.720 -7.259 1.00 0.55 O ATOM 608 CB PHE S 38 1.777 -4.535 -5.528 1.00 0.65 C ATOM 609 CG PHE S 38 1.520 -6.013 -5.733 1.00 0.43 C ATOM 610 CD1 PHE S 38 2.115 -6.961 -4.905 1.00 1.33 C ATOM 611 CD2 PHE S 38 0.698 -6.449 -6.769 1.00 1.34 C ATOM 612 CE1 PHE S 38 1.857 -8.307 -5.060 1.00 1.64 C ATOM 613 CE2 PHE S 38 0.475 -7.805 -6.957 1.00 1.71 C ATOM 614 CZ PHE S 38 1.037 -8.734 -6.087 1.00 1.50 C ATOM 0 H PHE S 38 2.951 -3.025 -7.180 1.00 0.35 H new ATOM 0 HA PHE S 38 3.610 -4.085 -4.463 1.00 0.41 H new ATOM 0 HB2 PHE S 38 1.313 -4.217 -4.594 1.00 0.65 H new ATOM 0 HB3 PHE S 38 1.297 -3.974 -6.330 1.00 0.65 H new ATOM 0 HD1 PHE S 38 2.791 -6.637 -4.127 1.00 1.33 H new ATOM 0 HD2 PHE S 38 0.233 -5.730 -7.427 1.00 1.34 H new ATOM 0 HE1 PHE S 38 2.294 -9.024 -4.381 1.00 1.64 H new ATOM 0 HE2 PHE S 38 -0.137 -8.141 -7.781 1.00 1.71 H new ATOM 0 HZ PHE S 38 0.833 -9.787 -6.214 1.00 1.50 H new ATOM 624 N TYR S 39 5.227 -5.539 -5.554 1.00 0.37 N ATOM 625 CA TYR S 39 6.057 -6.633 -5.990 1.00 0.41 C ATOM 626 C TYR S 39 6.348 -7.350 -4.682 1.00 0.38 C ATOM 627 O TYR S 39 6.158 -6.751 -3.635 1.00 0.36 O ATOM 628 CB TYR S 39 7.304 -6.067 -6.714 1.00 0.50 C ATOM 629 CG TYR S 39 7.033 -5.577 -8.133 1.00 0.98 C ATOM 630 CD1 TYR S 39 5.961 -4.761 -8.452 1.00 1.89 C ATOM 631 CD2 TYR S 39 7.844 -5.948 -9.193 1.00 1.92 C ATOM 632 CE1 TYR S 39 5.603 -4.427 -9.733 1.00 2.80 C ATOM 633 CE2 TYR S 39 7.533 -5.568 -10.502 1.00 2.85 C ATOM 634 CZ TYR S 39 6.389 -4.832 -10.775 1.00 3.10 C ATOM 635 OH TYR S 39 6.031 -4.473 -12.061 1.00 4.17 O ATOM 0 H TYR S 39 5.590 -5.018 -4.756 1.00 0.37 H new ATOM 0 HA TYR S 39 5.618 -7.316 -6.717 1.00 0.41 H new ATOM 0 HB2 TYR S 39 7.708 -5.242 -6.127 1.00 0.50 H new ATOM 0 HB3 TYR S 39 8.072 -6.839 -6.749 1.00 0.50 H new ATOM 0 HD1 TYR S 39 5.370 -4.362 -7.641 1.00 1.89 H new ATOM 0 HD2 TYR S 39 8.728 -6.539 -9.006 1.00 1.92 H new ATOM 0 HE1 TYR S 39 4.709 -3.850 -9.917 1.00 2.80 H new ATOM 0 HE2 TYR S 39 8.191 -5.851 -11.310 1.00 2.85 H new ATOM 0 HH TYR S 39 5.675 -3.560 -12.059 1.00 4.17 H new ATOM 645 N ALA S 40 6.748 -8.618 -4.778 1.00 0.45 N ATOM 646 CA ALA S 40 7.105 -9.359 -3.577 1.00 0.46 C ATOM 647 C ALA S 40 8.537 -9.784 -3.732 1.00 0.54 C ATOM 648 O ALA S 40 9.041 -9.648 -4.840 1.00 0.68 O ATOM 649 CB ALA S 40 6.161 -10.547 -3.378 1.00 0.51 C ATOM 0 H ALA S 40 6.831 -9.139 -5.651 1.00 0.45 H new ATOM 0 HA ALA S 40 7.003 -8.743 -2.684 1.00 0.46 H new ATOM 0 HB1 ALA S 40 6.443 -11.089 -2.475 1.00 0.51 H new ATOM 0 HB2 ALA S 40 5.137 -10.186 -3.279 1.00 0.51 H new ATOM 0 HB3 ALA S 40 6.229 -11.214 -4.238 1.00 0.51 H new ATOM 655 N GLU S 41 9.146 -10.220 -2.611 1.00 0.64 N ATOM 656 CA GLU S 41 10.550 -10.628 -2.588 1.00 0.74 C ATOM 657 C GLU S 41 10.608 -12.161 -2.633 1.00 0.81 C ATOM 658 O GLU S 41 10.993 -12.740 -3.638 1.00 0.88 O ATOM 659 CB GLU S 41 11.321 -9.996 -1.400 1.00 0.78 C ATOM 660 CG GLU S 41 12.842 -9.866 -1.680 1.00 1.58 C ATOM 661 CD GLU S 41 13.538 -8.661 -0.988 1.00 1.73 C ATOM 662 OE1 GLU S 41 13.054 -7.532 -1.122 1.00 2.10 O ATOM 663 OE2 GLU S 41 14.587 -8.828 -0.362 1.00 2.21 O ATOM 0 H GLU S 41 8.677 -10.296 -1.708 1.00 0.64 H new ATOM 0 HA GLU S 41 11.069 -10.247 -3.468 1.00 0.74 H new ATOM 0 HB2 GLU S 41 10.909 -9.010 -1.187 1.00 0.78 H new ATOM 0 HB3 GLU S 41 11.170 -10.604 -0.508 1.00 0.78 H new ATOM 0 HG2 GLU S 41 13.335 -10.784 -1.359 1.00 1.58 H new ATOM 0 HG3 GLU S 41 12.992 -9.783 -2.756 1.00 1.58 H new ATOM 670 N SER S 42 10.201 -12.806 -1.534 1.00 0.82 N ATOM 671 CA SER S 42 10.171 -14.265 -1.479 1.00 0.90 C ATOM 672 C SER S 42 9.316 -14.574 -0.251 1.00 0.90 C ATOM 673 O SER S 42 9.432 -13.823 0.694 1.00 1.17 O ATOM 674 CB SER S 42 11.615 -14.785 -1.308 1.00 0.99 C ATOM 675 OG SER S 42 11.843 -15.918 -2.113 1.00 1.11 O ATOM 0 H SER S 42 9.891 -12.343 -0.680 1.00 0.82 H new ATOM 0 HA SER S 42 9.766 -14.735 -2.375 1.00 0.90 H new ATOM 0 HB2 SER S 42 12.322 -13.999 -1.572 1.00 0.99 H new ATOM 0 HB3 SER S 42 11.793 -15.036 -0.262 1.00 0.99 H new ATOM 0 HG SER S 42 12.764 -16.228 -1.989 1.00 1.11 H new ATOM 681 N VAL S 43 8.471 -15.625 -0.285 1.00 0.84 N ATOM 682 CA VAL S 43 7.607 -16.039 0.840 1.00 0.84 C ATOM 683 C VAL S 43 6.132 -15.701 0.541 1.00 0.79 C ATOM 684 O VAL S 43 5.527 -16.270 -0.359 1.00 0.86 O ATOM 685 CB VAL S 43 8.139 -15.705 2.281 1.00 0.81 C ATOM 686 CG1 VAL S 43 7.157 -15.916 3.457 1.00 1.19 C ATOM 687 CG2 VAL S 43 9.471 -16.436 2.526 1.00 1.29 C ATOM 0 H VAL S 43 8.368 -16.219 -1.108 1.00 0.84 H new ATOM 0 HA VAL S 43 7.658 -17.126 0.899 1.00 0.84 H new ATOM 0 HB VAL S 43 8.281 -14.624 2.277 1.00 0.81 H new ATOM 0 HG11 VAL S 43 7.648 -15.649 4.393 1.00 1.19 H new ATOM 0 HG12 VAL S 43 6.279 -15.286 3.315 1.00 1.19 H new ATOM 0 HG13 VAL S 43 6.851 -16.962 3.493 1.00 1.19 H new ATOM 0 HG21 VAL S 43 9.836 -16.202 3.526 1.00 1.29 H new ATOM 0 HG22 VAL S 43 9.317 -17.512 2.439 1.00 1.29 H new ATOM 0 HG23 VAL S 43 10.204 -16.113 1.787 1.00 1.29 H new ATOM 697 N GLY S 44 5.566 -14.840 1.379 1.00 0.74 N ATOM 698 CA GLY S 44 4.180 -14.410 1.271 1.00 0.73 C ATOM 699 C GLY S 44 4.106 -12.941 1.634 1.00 0.65 C ATOM 700 O GLY S 44 3.035 -12.365 1.811 1.00 0.94 O ATOM 0 H GLY S 44 6.064 -14.417 2.162 1.00 0.74 H new ATOM 0 HA2 GLY S 44 3.811 -14.569 0.258 1.00 0.73 H new ATOM 0 HA3 GLY S 44 3.548 -14.998 1.937 1.00 0.73 H new ATOM 704 N GLU S 45 5.314 -12.381 1.809 1.00 0.48 N ATOM 705 CA GLU S 45 5.553 -11.009 2.149 1.00 0.43 C ATOM 706 C GLU S 45 5.943 -10.297 0.857 1.00 0.42 C ATOM 707 O GLU S 45 6.255 -10.952 -0.122 1.00 0.57 O ATOM 708 CB GLU S 45 6.592 -10.890 3.285 1.00 0.50 C ATOM 709 CG GLU S 45 7.229 -12.239 3.638 1.00 0.96 C ATOM 710 CD GLU S 45 8.488 -12.119 4.473 1.00 1.32 C ATOM 711 OE1 GLU S 45 8.675 -11.079 5.059 1.00 1.61 O ATOM 712 OE2 GLU S 45 9.250 -13.077 4.543 1.00 2.24 O ATOM 0 H GLU S 45 6.177 -12.915 1.708 1.00 0.48 H new ATOM 0 HA GLU S 45 4.664 -10.527 2.555 1.00 0.43 H new ATOM 0 HB2 GLU S 45 7.372 -10.189 2.988 1.00 0.50 H new ATOM 0 HB3 GLU S 45 6.112 -10.475 4.171 1.00 0.50 H new ATOM 0 HG2 GLU S 45 6.501 -12.844 4.179 1.00 0.96 H new ATOM 0 HG3 GLU S 45 7.464 -12.772 2.717 1.00 0.96 H new ATOM 719 N VAL S 46 5.799 -8.959 0.846 1.00 0.38 N ATOM 720 CA VAL S 46 6.042 -8.262 -0.416 1.00 0.38 C ATOM 721 C VAL S 46 6.861 -7.043 -0.153 1.00 0.35 C ATOM 722 O VAL S 46 7.024 -6.656 0.987 1.00 0.48 O ATOM 723 CB VAL S 46 4.774 -7.875 -1.244 1.00 0.56 C ATOM 724 CG1 VAL S 46 3.598 -8.807 -1.056 1.00 0.94 C ATOM 725 CG2 VAL S 46 4.279 -6.394 -1.241 1.00 1.18 C ATOM 0 H VAL S 46 5.534 -8.377 1.641 1.00 0.38 H new ATOM 0 HA VAL S 46 6.568 -8.983 -1.041 1.00 0.38 H new ATOM 0 HB VAL S 46 5.203 -8.003 -2.238 1.00 0.56 H new ATOM 0 HG11 VAL S 46 2.762 -8.465 -1.666 1.00 0.94 H new ATOM 0 HG12 VAL S 46 3.881 -9.815 -1.359 1.00 0.94 H new ATOM 0 HG13 VAL S 46 3.303 -8.813 -0.007 1.00 0.94 H new ATOM 0 HG21 VAL S 46 3.390 -6.306 -1.866 1.00 1.18 H new ATOM 0 HG22 VAL S 46 4.037 -6.093 -0.222 1.00 1.18 H new ATOM 0 HG23 VAL S 46 5.064 -5.747 -1.633 1.00 1.18 H new ATOM 735 N TYR S 47 7.261 -6.413 -1.255 1.00 0.34 N ATOM 736 CA TYR S 47 7.789 -5.075 -1.204 1.00 0.38 C ATOM 737 C TYR S 47 7.109 -4.121 -2.214 1.00 0.32 C ATOM 738 O TYR S 47 7.248 -4.249 -3.429 1.00 0.43 O ATOM 739 CB TYR S 47 9.260 -5.199 -1.560 1.00 0.53 C ATOM 740 CG TYR S 47 10.099 -4.302 -0.725 1.00 0.98 C ATOM 741 CD1 TYR S 47 9.596 -3.146 -0.148 1.00 1.67 C ATOM 742 CD2 TYR S 47 11.423 -4.643 -0.527 1.00 1.70 C ATOM 743 CE1 TYR S 47 10.427 -2.336 0.574 1.00 2.26 C ATOM 744 CE2 TYR S 47 12.272 -3.796 0.152 1.00 2.30 C ATOM 745 CZ TYR S 47 11.767 -2.611 0.651 1.00 2.38 C ATOM 746 OH TYR S 47 12.561 -1.639 1.179 1.00 3.11 O ATOM 0 H TYR S 47 7.225 -6.819 -2.190 1.00 0.34 H new ATOM 0 HA TYR S 47 7.615 -4.652 -0.215 1.00 0.38 H new ATOM 0 HB2 TYR S 47 9.583 -6.231 -1.424 1.00 0.53 H new ATOM 0 HB3 TYR S 47 9.402 -4.956 -2.613 1.00 0.53 H new ATOM 0 HD1 TYR S 47 8.554 -2.887 -0.268 1.00 1.67 H new ATOM 0 HD2 TYR S 47 11.796 -5.582 -0.908 1.00 1.70 H new ATOM 0 HE1 TYR S 47 10.025 -1.474 1.087 1.00 2.26 H new ATOM 0 HE2 TYR S 47 13.312 -4.054 0.291 1.00 2.30 H new ATOM 0 HH TYR S 47 12.011 -0.866 1.427 1.00 3.11 H new ATOM 756 N ILE S 48 6.401 -3.115 -1.636 1.00 0.30 N ATOM 757 CA ILE S 48 5.752 -2.106 -2.493 1.00 0.25 C ATOM 758 C ILE S 48 6.792 -1.013 -2.923 1.00 0.36 C ATOM 759 O ILE S 48 7.959 -1.122 -2.601 1.00 0.62 O ATOM 760 CB ILE S 48 4.393 -1.555 -1.918 1.00 0.43 C ATOM 761 CG1 ILE S 48 4.004 -2.248 -0.638 1.00 0.29 C ATOM 762 CG2 ILE S 48 3.181 -1.775 -2.847 1.00 0.83 C ATOM 763 CD1 ILE S 48 2.578 -1.841 -0.173 1.00 0.37 C ATOM 0 H ILE S 48 6.272 -2.988 -0.632 1.00 0.30 H new ATOM 0 HA ILE S 48 5.425 -2.599 -3.408 1.00 0.25 H new ATOM 0 HB ILE S 48 4.595 -0.492 -1.787 1.00 0.43 H new ATOM 0 HG12 ILE S 48 4.045 -3.328 -0.782 1.00 0.29 H new ATOM 0 HG13 ILE S 48 4.725 -2.003 0.142 1.00 0.29 H new ATOM 0 HG21 ILE S 48 2.285 -1.368 -2.379 1.00 0.83 H new ATOM 0 HG22 ILE S 48 3.355 -1.271 -3.798 1.00 0.83 H new ATOM 0 HG23 ILE S 48 3.046 -2.842 -3.022 1.00 0.83 H new ATOM 0 HD11 ILE S 48 2.335 -2.362 0.753 1.00 0.37 H new ATOM 0 HD12 ILE S 48 2.544 -0.765 -0.004 1.00 0.37 H new ATOM 0 HD13 ILE S 48 1.854 -2.110 -0.942 1.00 0.37 H new ATOM 775 N LYS S 49 6.337 0.050 -3.637 1.00 0.33 N ATOM 776 CA LYS S 49 7.154 1.200 -4.091 1.00 0.53 C ATOM 777 C LYS S 49 6.375 2.412 -3.722 1.00 0.42 C ATOM 778 O LYS S 49 5.171 2.341 -3.760 1.00 0.54 O ATOM 779 CB LYS S 49 7.390 1.267 -5.591 1.00 0.83 C ATOM 780 CG LYS S 49 8.657 1.945 -6.140 1.00 0.98 C ATOM 781 CD LYS S 49 9.589 0.832 -6.686 1.00 1.32 C ATOM 782 CE LYS S 49 10.979 1.186 -7.186 1.00 1.61 C ATOM 783 NZ LYS S 49 11.820 0.064 -7.562 1.00 2.13 N ATOM 0 H LYS S 49 5.360 0.130 -3.920 1.00 0.33 H new ATOM 0 HA LYS S 49 8.137 1.111 -3.629 1.00 0.53 H new ATOM 0 HB2 LYS S 49 7.381 0.244 -5.967 1.00 0.83 H new ATOM 0 HB3 LYS S 49 6.533 1.776 -6.032 1.00 0.83 H new ATOM 0 HG2 LYS S 49 8.401 2.651 -6.930 1.00 0.98 H new ATOM 0 HG3 LYS S 49 9.158 2.512 -5.355 1.00 0.98 H new ATOM 0 HD2 LYS S 49 9.707 0.091 -5.895 1.00 1.32 H new ATOM 0 HD3 LYS S 49 9.064 0.342 -7.506 1.00 1.32 H new ATOM 0 HE2 LYS S 49 10.877 1.845 -8.049 1.00 1.61 H new ATOM 0 HE3 LYS S 49 11.490 1.755 -6.409 1.00 1.61 H new ATOM 0 HZ1 LYS S 49 12.743 0.416 -7.888 1.00 2.13 H new ATOM 0 HZ2 LYS S 49 11.957 -0.558 -6.740 1.00 2.13 H new ATOM 0 HZ3 LYS S 49 11.363 -0.471 -8.328 1.00 2.13 H new ATOM 797 N SER S 50 7.074 3.496 -3.473 1.00 0.48 N ATOM 798 CA SER S 50 6.474 4.774 -3.272 1.00 0.56 C ATOM 799 C SER S 50 6.862 5.545 -4.522 1.00 0.73 C ATOM 800 O SER S 50 8.025 5.546 -4.922 1.00 1.42 O ATOM 801 CB SER S 50 6.954 5.256 -1.914 1.00 0.77 C ATOM 802 OG SER S 50 7.447 6.558 -2.015 1.00 1.82 O ATOM 0 H SER S 50 8.092 3.503 -3.405 1.00 0.48 H new ATOM 0 HA SER S 50 5.389 4.852 -3.196 1.00 0.56 H new ATOM 0 HB2 SER S 50 6.134 5.224 -1.197 1.00 0.77 H new ATOM 0 HB3 SER S 50 7.732 4.592 -1.538 1.00 0.77 H new ATOM 0 HG SER S 50 8.126 6.705 -1.324 1.00 1.82 H new ATOM 808 N LEU S 51 5.837 6.114 -5.164 1.00 0.60 N ATOM 809 CA LEU S 51 6.117 7.009 -6.264 1.00 0.77 C ATOM 810 C LEU S 51 6.835 6.240 -7.413 1.00 0.60 C ATOM 811 O LEU S 51 7.216 5.070 -7.312 1.00 0.69 O ATOM 812 CB LEU S 51 6.892 8.217 -5.688 1.00 1.18 C ATOM 813 CG LEU S 51 6.043 9.081 -4.734 1.00 1.99 C ATOM 814 CD1 LEU S 51 6.779 9.776 -3.584 1.00 2.83 C ATOM 815 CD2 LEU S 51 5.545 10.211 -5.537 1.00 2.55 C ATOM 0 H LEU S 51 4.851 5.973 -4.946 1.00 0.60 H new ATOM 0 HA LEU S 51 5.212 7.400 -6.730 1.00 0.77 H new ATOM 0 HB2 LEU S 51 7.772 7.856 -5.156 1.00 1.18 H new ATOM 0 HB3 LEU S 51 7.249 8.838 -6.510 1.00 1.18 H new ATOM 0 HG LEU S 51 5.319 8.391 -4.302 1.00 1.99 H new ATOM 0 HD11 LEU S 51 6.067 10.350 -2.990 1.00 2.83 H new ATOM 0 HD12 LEU S 51 7.257 9.027 -2.953 1.00 2.83 H new ATOM 0 HD13 LEU S 51 7.537 10.446 -3.989 1.00 2.83 H new ATOM 0 HD21 LEU S 51 4.934 10.861 -4.911 1.00 2.55 H new ATOM 0 HD22 LEU S 51 6.389 10.777 -5.932 1.00 2.55 H new ATOM 0 HD23 LEU S 51 4.943 9.833 -6.363 1.00 2.55 H new ATOM 827 N GLU S 52 6.990 6.946 -8.534 1.00 0.70 N ATOM 828 CA GLU S 52 7.835 6.386 -9.569 1.00 0.97 C ATOM 829 C GLU S 52 9.329 6.471 -9.196 1.00 1.03 C ATOM 830 O GLU S 52 10.159 5.795 -9.791 1.00 1.55 O ATOM 831 CB GLU S 52 7.561 7.097 -10.878 1.00 1.09 C ATOM 832 CG GLU S 52 7.902 8.595 -10.835 1.00 1.55 C ATOM 833 CD GLU S 52 8.101 9.134 -12.255 1.00 1.73 C ATOM 834 OE1 GLU S 52 7.664 8.484 -13.204 1.00 2.28 O ATOM 835 OE2 GLU S 52 8.738 10.176 -12.389 1.00 1.96 O ATOM 0 H GLU S 52 6.567 7.852 -8.736 1.00 0.70 H new ATOM 0 HA GLU S 52 7.597 5.328 -9.676 1.00 0.97 H new ATOM 0 HB2 GLU S 52 8.139 6.622 -11.670 1.00 1.09 H new ATOM 0 HB3 GLU S 52 6.509 6.978 -11.136 1.00 1.09 H new ATOM 0 HG2 GLU S 52 7.101 9.143 -10.339 1.00 1.55 H new ATOM 0 HG3 GLU S 52 8.807 8.753 -10.248 1.00 1.55 H new ATOM 842 N THR S 53 9.599 7.277 -8.138 1.00 0.83 N ATOM 843 CA THR S 53 10.954 7.606 -7.689 1.00 0.96 C ATOM 844 C THR S 53 11.726 6.420 -7.123 1.00 1.08 C ATOM 845 O THR S 53 12.765 6.558 -6.505 1.00 1.43 O ATOM 846 CB THR S 53 10.850 8.583 -6.519 1.00 0.89 C ATOM 847 OG1 THR S 53 10.209 7.975 -5.426 1.00 0.86 O ATOM 848 CG2 THR S 53 10.050 9.819 -6.842 1.00 0.87 C ATOM 0 H THR S 53 8.869 7.715 -7.576 1.00 0.83 H new ATOM 0 HA THR S 53 11.469 7.991 -8.569 1.00 0.96 H new ATOM 0 HB THR S 53 11.878 8.865 -6.293 1.00 0.89 H new ATOM 0 HG1 THR S 53 9.757 8.659 -4.890 1.00 0.86 H new ATOM 0 HG21 THR S 53 10.016 10.469 -5.968 1.00 0.87 H new ATOM 0 HG22 THR S 53 10.519 10.349 -7.671 1.00 0.87 H new ATOM 0 HG23 THR S 53 9.036 9.533 -7.121 1.00 0.87 H new ATOM 856 N GLY S 54 11.099 5.268 -7.296 1.00 0.98 N ATOM 857 CA GLY S 54 11.598 4.048 -6.791 1.00 1.15 C ATOM 858 C GLY S 54 11.857 4.045 -5.300 1.00 0.94 C ATOM 859 O GLY S 54 12.906 3.637 -4.839 1.00 1.16 O ATOM 0 H GLY S 54 10.218 5.178 -7.802 1.00 0.98 H new ATOM 0 HA2 GLY S 54 10.888 3.255 -7.025 1.00 1.15 H new ATOM 0 HA3 GLY S 54 12.527 3.808 -7.309 1.00 1.15 H new ATOM 863 N GLN S 55 10.799 4.475 -4.604 1.00 0.63 N ATOM 864 CA GLN S 55 10.801 4.260 -3.173 1.00 0.55 C ATOM 865 C GLN S 55 10.186 2.858 -2.933 1.00 0.52 C ATOM 866 O GLN S 55 10.293 1.950 -3.744 1.00 0.66 O ATOM 867 CB GLN S 55 9.967 5.364 -2.540 1.00 0.48 C ATOM 868 CG GLN S 55 10.310 6.823 -2.871 1.00 0.89 C ATOM 869 CD GLN S 55 10.583 7.642 -1.602 1.00 1.03 C ATOM 870 OE1 GLN S 55 11.224 7.176 -0.672 1.00 1.96 O ATOM 871 NE2 GLN S 55 10.073 8.876 -1.582 1.00 1.27 N ATOM 0 H GLN S 55 9.980 4.946 -4.989 1.00 0.63 H new ATOM 0 HA GLN S 55 11.798 4.292 -2.733 1.00 0.55 H new ATOM 0 HB2 GLN S 55 8.927 5.196 -2.821 1.00 0.48 H new ATOM 0 HB3 GLN S 55 10.028 5.246 -1.458 1.00 0.48 H new ATOM 0 HG2 GLN S 55 11.186 6.853 -3.519 1.00 0.89 H new ATOM 0 HG3 GLN S 55 9.487 7.274 -3.426 1.00 0.89 H new ATOM 0 HE21 GLN S 55 9.544 9.222 -2.383 1.00 1.27 H new ATOM 0 HE22 GLN S 55 10.212 9.472 -0.766 1.00 1.27 H new ATOM 880 N TYR S 56 9.498 2.741 -1.786 1.00 0.44 N ATOM 881 CA TYR S 56 9.053 1.470 -1.241 1.00 0.54 C ATOM 882 C TYR S 56 7.736 1.709 -0.433 1.00 0.48 C ATOM 883 O TYR S 56 7.073 2.716 -0.667 1.00 0.73 O ATOM 884 CB TYR S 56 10.251 0.707 -0.660 1.00 0.69 C ATOM 885 CG TYR S 56 11.406 0.496 -1.606 1.00 0.87 C ATOM 886 CD1 TYR S 56 12.395 1.471 -1.738 1.00 1.60 C ATOM 887 CD2 TYR S 56 11.473 -0.637 -2.405 1.00 1.72 C ATOM 888 CE1 TYR S 56 13.366 1.377 -2.728 1.00 2.17 C ATOM 889 CE2 TYR S 56 12.464 -0.755 -3.364 1.00 2.14 C ATOM 890 CZ TYR S 56 13.388 0.258 -3.553 1.00 2.12 C ATOM 891 OH TYR S 56 14.300 0.092 -4.576 1.00 2.81 O ATOM 0 H TYR S 56 9.237 3.543 -1.212 1.00 0.44 H new ATOM 0 HA TYR S 56 8.712 0.731 -1.966 1.00 0.54 H new ATOM 0 HB2 TYR S 56 10.614 1.247 0.214 1.00 0.69 H new ATOM 0 HB3 TYR S 56 9.906 -0.267 -0.313 1.00 0.69 H new ATOM 0 HD1 TYR S 56 12.406 2.312 -1.060 1.00 1.60 H new ATOM 0 HD2 TYR S 56 10.750 -1.429 -2.278 1.00 1.72 H new ATOM 0 HE1 TYR S 56 14.095 2.164 -2.855 1.00 2.17 H new ATOM 0 HE2 TYR S 56 12.517 -1.647 -3.971 1.00 2.14 H new ATOM 0 HH TYR S 56 14.136 -0.763 -5.025 1.00 2.81 H new ATOM 901 N LEU S 57 7.380 0.821 0.516 1.00 0.55 N ATOM 902 CA LEU S 57 6.403 1.138 1.573 1.00 0.50 C ATOM 903 C LEU S 57 6.790 0.281 2.816 1.00 0.50 C ATOM 904 O LEU S 57 7.187 -0.851 2.608 1.00 0.61 O ATOM 905 CB LEU S 57 5.011 0.916 0.978 1.00 0.60 C ATOM 906 CG LEU S 57 3.868 1.376 1.894 1.00 0.75 C ATOM 907 CD1 LEU S 57 3.950 2.855 2.167 1.00 1.30 C ATOM 908 CD2 LEU S 57 2.445 1.032 1.407 1.00 1.46 C ATOM 0 H LEU S 57 7.757 -0.125 0.571 1.00 0.55 H new ATOM 0 HA LEU S 57 6.401 2.170 1.923 1.00 0.50 H new ATOM 0 HB2 LEU S 57 4.942 1.449 0.030 1.00 0.60 H new ATOM 0 HB3 LEU S 57 4.884 -0.144 0.758 1.00 0.60 H new ATOM 0 HG LEU S 57 4.022 0.802 2.808 1.00 0.75 H new ATOM 0 HD11 LEU S 57 3.128 3.151 2.818 1.00 1.30 H new ATOM 0 HD12 LEU S 57 4.898 3.083 2.654 1.00 1.30 H new ATOM 0 HD13 LEU S 57 3.884 3.403 1.227 1.00 1.30 H new ATOM 0 HD21 LEU S 57 1.715 1.402 2.127 1.00 1.46 H new ATOM 0 HD22 LEU S 57 2.269 1.500 0.438 1.00 1.46 H new ATOM 0 HD23 LEU S 57 2.345 -0.049 1.311 1.00 1.46 H new ATOM 920 N ALA S 58 6.748 0.847 4.061 1.00 0.43 N ATOM 921 CA ALA S 58 7.076 0.110 5.305 1.00 0.45 C ATOM 922 C ALA S 58 6.215 0.659 6.446 1.00 0.42 C ATOM 923 O ALA S 58 5.899 1.835 6.496 1.00 0.48 O ATOM 924 CB ALA S 58 8.531 0.253 5.792 1.00 0.49 C ATOM 0 H ALA S 58 6.487 1.820 4.221 1.00 0.43 H new ATOM 0 HA ALA S 58 6.899 -0.937 5.060 1.00 0.45 H new ATOM 0 HB1 ALA S 58 8.667 -0.323 6.707 1.00 0.49 H new ATOM 0 HB2 ALA S 58 9.210 -0.119 5.025 1.00 0.49 H new ATOM 0 HB3 ALA S 58 8.747 1.303 5.989 1.00 0.49 H new ATOM 930 N MET S 59 5.885 -0.216 7.384 1.00 0.43 N ATOM 931 CA MET S 59 5.324 0.302 8.616 1.00 0.44 C ATOM 932 C MET S 59 6.391 0.993 9.426 1.00 0.45 C ATOM 933 O MET S 59 7.427 0.426 9.755 1.00 0.65 O ATOM 934 CB MET S 59 4.777 -0.867 9.379 1.00 0.57 C ATOM 935 CG MET S 59 4.156 -0.620 10.755 1.00 0.71 C ATOM 936 SD MET S 59 3.601 -2.193 11.380 1.00 1.61 S ATOM 937 CE MET S 59 4.814 -2.546 12.633 1.00 2.08 C ATOM 0 H MET S 59 5.988 -1.229 7.324 1.00 0.43 H new ATOM 0 HA MET S 59 4.541 1.030 8.405 1.00 0.44 H new ATOM 0 HB2 MET S 59 4.021 -1.344 8.756 1.00 0.57 H new ATOM 0 HB3 MET S 59 5.586 -1.587 9.506 1.00 0.57 H new ATOM 0 HG2 MET S 59 4.886 -0.174 11.431 1.00 0.71 H new ATOM 0 HG3 MET S 59 3.323 0.079 10.680 1.00 0.71 H new ATOM 0 HE1 MET S 59 4.812 -3.614 12.851 1.00 2.08 H new ATOM 0 HE2 MET S 59 5.801 -2.250 12.277 1.00 2.08 H new ATOM 0 HE3 MET S 59 4.573 -1.990 13.539 1.00 2.08 H new ATOM 947 N ASP S 60 6.035 2.257 9.724 1.00 0.43 N ATOM 948 CA ASP S 60 6.784 3.066 10.678 1.00 0.52 C ATOM 949 C ASP S 60 6.984 2.252 11.954 1.00 0.77 C ATOM 950 O ASP S 60 6.080 1.513 12.311 1.00 1.49 O ATOM 951 CB ASP S 60 5.946 4.307 11.054 1.00 0.72 C ATOM 952 CG ASP S 60 6.811 5.546 11.334 1.00 1.31 C ATOM 953 OD1 ASP S 60 7.998 5.526 11.018 1.00 2.08 O ATOM 954 OD2 ASP S 60 6.272 6.512 11.877 1.00 1.80 O ATOM 0 H ASP S 60 5.231 2.732 9.312 1.00 0.43 H new ATOM 0 HA ASP S 60 7.738 3.359 10.240 1.00 0.52 H new ATOM 0 HB2 ASP S 60 5.251 4.530 10.244 1.00 0.72 H new ATOM 0 HB3 ASP S 60 5.346 4.081 11.936 1.00 0.72 H new ATOM 959 N SER S 61 8.158 2.384 12.578 1.00 0.94 N ATOM 960 CA SER S 61 8.545 1.483 13.660 1.00 1.14 C ATOM 961 C SER S 61 7.752 1.777 14.951 1.00 1.01 C ATOM 962 O SER S 61 8.284 2.300 15.921 1.00 1.74 O ATOM 963 CB SER S 61 10.036 1.710 13.908 1.00 1.69 C ATOM 964 OG SER S 61 10.283 3.096 13.978 1.00 2.22 O ATOM 0 H SER S 61 8.849 3.100 12.353 1.00 0.94 H new ATOM 0 HA SER S 61 8.333 0.451 13.382 1.00 1.14 H new ATOM 0 HB2 SER S 61 10.342 1.226 14.835 1.00 1.69 H new ATOM 0 HB3 SER S 61 10.624 1.263 13.106 1.00 1.69 H new ATOM 0 HG SER S 61 9.792 3.478 14.735 1.00 2.22 H new ATOM 970 N ASP S 62 6.473 1.396 14.865 1.00 0.84 N ATOM 971 CA ASP S 62 5.428 1.696 15.831 1.00 1.41 C ATOM 972 C ASP S 62 4.143 1.054 15.287 1.00 1.33 C ATOM 973 O ASP S 62 3.485 0.247 15.932 1.00 1.86 O ATOM 974 CB ASP S 62 5.257 3.228 16.011 1.00 1.86 C ATOM 975 CG ASP S 62 4.727 3.654 17.390 1.00 2.62 C ATOM 976 OD1 ASP S 62 5.235 3.179 18.406 1.00 3.04 O ATOM 977 OD2 ASP S 62 3.839 4.515 17.417 1.00 3.19 O ATOM 0 H ASP S 62 6.129 0.844 14.079 1.00 0.84 H new ATOM 0 HA ASP S 62 5.677 1.300 16.816 1.00 1.41 H new ATOM 0 HB2 ASP S 62 6.220 3.710 15.841 1.00 1.86 H new ATOM 0 HB3 ASP S 62 4.576 3.597 15.244 1.00 1.86 H new ATOM 982 N GLY S 63 3.809 1.406 14.033 1.00 0.80 N ATOM 983 CA GLY S 63 2.491 0.970 13.593 1.00 0.77 C ATOM 984 C GLY S 63 1.868 1.771 12.456 1.00 0.68 C ATOM 985 O GLY S 63 0.897 1.348 11.811 1.00 0.66 O ATOM 0 H GLY S 63 4.374 1.937 13.370 1.00 0.80 H new ATOM 0 HA2 GLY S 63 2.560 -0.072 13.282 1.00 0.77 H new ATOM 0 HA3 GLY S 63 1.815 1.003 14.447 1.00 0.77 H new ATOM 989 N GLN S 64 2.442 2.966 12.236 1.00 0.68 N ATOM 990 CA GLN S 64 2.021 3.787 11.111 1.00 0.65 C ATOM 991 C GLN S 64 2.467 3.137 9.815 1.00 0.53 C ATOM 992 O GLN S 64 3.022 2.066 9.802 1.00 0.47 O ATOM 993 CB GLN S 64 2.591 5.206 11.238 1.00 0.72 C ATOM 994 CG GLN S 64 1.459 6.201 11.469 1.00 1.39 C ATOM 995 CD GLN S 64 2.004 7.622 11.566 1.00 1.52 C ATOM 996 OE1 GLN S 64 2.176 8.314 10.575 1.00 1.82 O ATOM 997 NE2 GLN S 64 2.215 8.023 12.810 1.00 1.94 N ATOM 0 H GLN S 64 3.181 3.369 12.812 1.00 0.68 H new ATOM 0 HA GLN S 64 0.934 3.864 11.109 1.00 0.65 H new ATOM 0 HB2 GLN S 64 3.300 5.250 12.065 1.00 0.72 H new ATOM 0 HB3 GLN S 64 3.139 5.469 10.334 1.00 0.72 H new ATOM 0 HG2 GLN S 64 0.739 6.137 10.653 1.00 1.39 H new ATOM 0 HG3 GLN S 64 0.926 5.947 12.385 1.00 1.39 H new ATOM 0 HE21 GLN S 64 2.048 7.384 13.587 1.00 1.94 H new ATOM 0 HE22 GLN S 64 2.545 8.971 12.991 1.00 1.94 H new ATOM 1006 N LEU S 65 2.178 3.810 8.708 1.00 0.55 N ATOM 1007 CA LEU S 65 2.658 3.354 7.412 1.00 0.50 C ATOM 1008 C LEU S 65 3.390 4.591 6.809 1.00 0.52 C ATOM 1009 O LEU S 65 2.799 5.672 6.732 1.00 0.66 O ATOM 1010 CB LEU S 65 1.393 2.796 6.711 1.00 0.57 C ATOM 1011 CG LEU S 65 1.552 2.391 5.248 1.00 0.94 C ATOM 1012 CD1 LEU S 65 2.192 1.027 5.027 1.00 1.75 C ATOM 1013 CD2 LEU S 65 0.222 2.558 4.498 1.00 1.17 C ATOM 0 H LEU S 65 1.620 4.664 8.682 1.00 0.55 H new ATOM 0 HA LEU S 65 3.389 2.547 7.356 1.00 0.50 H new ATOM 0 HB2 LEU S 65 1.047 1.927 7.271 1.00 0.57 H new ATOM 0 HB3 LEU S 65 0.607 3.549 6.774 1.00 0.57 H new ATOM 0 HG LEU S 65 2.279 3.080 4.818 1.00 0.94 H new ATOM 0 HD11 LEU S 65 2.263 0.827 3.958 1.00 1.75 H new ATOM 0 HD12 LEU S 65 3.190 1.018 5.465 1.00 1.75 H new ATOM 0 HD13 LEU S 65 1.582 0.258 5.500 1.00 1.75 H new ATOM 0 HD21 LEU S 65 0.352 2.265 3.456 1.00 1.17 H new ATOM 0 HD22 LEU S 65 -0.538 1.927 4.960 1.00 1.17 H new ATOM 0 HD23 LEU S 65 -0.094 3.600 4.545 1.00 1.17 H new ATOM 1025 N TYR S 66 4.669 4.389 6.449 1.00 0.45 N ATOM 1026 CA TYR S 66 5.525 5.392 5.805 1.00 0.47 C ATOM 1027 C TYR S 66 6.047 4.765 4.494 1.00 0.48 C ATOM 1028 O TYR S 66 5.931 3.565 4.289 1.00 0.54 O ATOM 1029 CB TYR S 66 6.653 5.893 6.746 1.00 0.49 C ATOM 1030 CG TYR S 66 8.004 5.246 6.534 1.00 0.44 C ATOM 1031 CD1 TYR S 66 8.226 3.922 6.891 1.00 1.38 C ATOM 1032 CD2 TYR S 66 9.050 5.955 5.945 1.00 1.17 C ATOM 1033 CE1 TYR S 66 9.424 3.301 6.578 1.00 1.41 C ATOM 1034 CE2 TYR S 66 10.257 5.332 5.638 1.00 1.20 C ATOM 1035 CZ TYR S 66 10.412 3.980 5.896 1.00 0.59 C ATOM 1036 OH TYR S 66 11.503 3.276 5.429 1.00 0.72 O ATOM 0 H TYR S 66 5.145 3.500 6.603 1.00 0.45 H new ATOM 0 HA TYR S 66 4.958 6.294 5.574 1.00 0.47 H new ATOM 0 HB2 TYR S 66 6.760 6.970 6.617 1.00 0.49 H new ATOM 0 HB3 TYR S 66 6.345 5.724 7.778 1.00 0.49 H new ATOM 0 HD1 TYR S 66 7.459 3.373 7.417 1.00 1.38 H new ATOM 0 HD2 TYR S 66 8.922 7.004 5.723 1.00 1.17 H new ATOM 0 HE1 TYR S 66 9.586 2.274 6.871 1.00 1.41 H new ATOM 0 HE2 TYR S 66 11.066 5.899 5.202 1.00 1.20 H new ATOM 0 HH TYR S 66 11.307 2.316 5.451 1.00 0.72 H new ATOM 1046 N ALA S 67 6.565 5.603 3.581 1.00 0.49 N ATOM 1047 CA ALA S 67 7.081 5.090 2.313 1.00 0.51 C ATOM 1048 C ALA S 67 8.337 4.325 2.618 1.00 0.69 C ATOM 1049 O ALA S 67 9.137 4.842 3.346 1.00 1.24 O ATOM 1050 CB ALA S 67 7.486 6.251 1.437 1.00 0.56 C ATOM 0 H ALA S 67 6.635 6.614 3.697 1.00 0.49 H new ATOM 0 HA ALA S 67 6.326 4.477 1.821 1.00 0.51 H new ATOM 0 HB1 ALA S 67 7.872 5.875 0.490 1.00 0.56 H new ATOM 0 HB2 ALA S 67 6.619 6.885 1.250 1.00 0.56 H new ATOM 0 HB3 ALA S 67 8.260 6.833 1.938 1.00 0.56 H new ATOM 1056 N SER S 68 8.534 3.106 2.130 1.00 0.62 N ATOM 1057 CA SER S 68 9.794 2.491 2.529 1.00 0.82 C ATOM 1058 C SER S 68 10.843 3.180 1.652 1.00 0.63 C ATOM 1059 O SER S 68 10.560 3.479 0.495 1.00 0.57 O ATOM 1060 CB SER S 68 9.855 0.950 2.456 1.00 1.19 C ATOM 1061 OG SER S 68 11.202 0.588 2.336 1.00 1.84 O ATOM 0 H SER S 68 7.914 2.570 1.523 1.00 0.62 H new ATOM 0 HA SER S 68 9.961 2.642 3.596 1.00 0.82 H new ATOM 0 HB2 SER S 68 9.417 0.506 3.350 1.00 1.19 H new ATOM 0 HB3 SER S 68 9.282 0.583 1.604 1.00 1.19 H new ATOM 0 HG SER S 68 11.530 0.257 3.198 1.00 1.84 H new ATOM 1067 N GLN S 69 12.017 3.326 2.247 1.00 0.78 N ATOM 1068 CA GLN S 69 13.189 3.719 1.499 1.00 0.92 C ATOM 1069 C GLN S 69 14.209 2.575 1.448 1.00 1.06 C ATOM 1070 O GLN S 69 14.767 2.270 0.397 1.00 1.25 O ATOM 1071 CB GLN S 69 13.743 4.983 2.174 1.00 1.16 C ATOM 1072 CG GLN S 69 13.482 6.236 1.328 1.00 1.42 C ATOM 1073 CD GLN S 69 14.782 6.930 0.884 1.00 1.97 C ATOM 1074 OE1 GLN S 69 15.766 6.314 0.482 1.00 2.42 O ATOM 1075 NE2 GLN S 69 14.710 8.261 0.982 1.00 2.71 N ATOM 0 H GLN S 69 12.178 3.177 3.243 1.00 0.78 H new ATOM 0 HA GLN S 69 12.947 3.939 0.459 1.00 0.92 H new ATOM 0 HB2 GLN S 69 13.283 5.103 3.155 1.00 1.16 H new ATOM 0 HB3 GLN S 69 14.815 4.870 2.336 1.00 1.16 H new ATOM 0 HG2 GLN S 69 12.902 5.961 0.447 1.00 1.42 H new ATOM 0 HG3 GLN S 69 12.877 6.938 1.902 1.00 1.42 H new ATOM 0 HE21 GLN S 69 13.857 8.702 1.326 1.00 2.71 H new ATOM 0 HE22 GLN S 69 15.508 8.836 0.713 1.00 2.71 H new ATOM 1084 N SER S 70 14.458 2.009 2.638 1.00 1.05 N ATOM 1085 CA SER S 70 15.485 0.984 2.785 1.00 1.31 C ATOM 1086 C SER S 70 14.804 -0.375 2.691 1.00 0.89 C ATOM 1087 O SER S 70 13.618 -0.460 2.988 1.00 1.45 O ATOM 1088 CB SER S 70 16.149 1.103 4.168 1.00 2.20 C ATOM 1089 OG SER S 70 17.552 1.236 4.062 1.00 2.86 O ATOM 0 H SER S 70 13.965 2.244 3.500 1.00 1.05 H new ATOM 0 HA SER S 70 16.243 1.102 2.010 1.00 1.31 H new ATOM 0 HB2 SER S 70 15.740 1.965 4.696 1.00 2.20 H new ATOM 0 HB3 SER S 70 15.910 0.222 4.764 1.00 2.20 H new ATOM 0 HG SER S 70 17.942 1.311 4.958 1.00 2.86 H new ATOM 1095 N PRO S 71 15.607 -1.427 2.322 1.00 1.14 N ATOM 1096 CA PRO S 71 15.153 -2.810 2.330 1.00 1.73 C ATOM 1097 C PRO S 71 15.030 -3.167 3.812 1.00 1.50 C ATOM 1098 O PRO S 71 14.415 -2.426 4.567 1.00 2.17 O ATOM 1099 CB PRO S 71 16.213 -3.566 1.520 1.00 2.57 C ATOM 1100 CG PRO S 71 17.499 -2.763 1.725 1.00 2.62 C ATOM 1101 CD PRO S 71 17.039 -1.331 2.050 1.00 1.89 C ATOM 0 HA PRO S 71 14.190 -3.043 1.876 1.00 1.73 H new ATOM 0 HB2 PRO S 71 16.325 -4.591 1.873 1.00 2.57 H new ATOM 0 HB3 PRO S 71 15.943 -3.620 0.465 1.00 2.57 H new ATOM 0 HG2 PRO S 71 18.096 -3.178 2.537 1.00 2.62 H new ATOM 0 HG3 PRO S 71 18.121 -2.782 0.830 1.00 2.62 H new ATOM 0 HD2 PRO S 71 17.575 -0.934 2.912 1.00 1.89 H new ATOM 0 HD3 PRO S 71 17.235 -0.658 1.215 1.00 1.89 H new ATOM 1109 N SER S 72 15.662 -4.275 4.208 1.00 1.13 N ATOM 1110 CA SER S 72 15.419 -4.790 5.539 1.00 1.00 C ATOM 1111 C SER S 72 13.931 -5.217 5.679 1.00 0.95 C ATOM 1112 O SER S 72 13.000 -4.635 5.141 1.00 0.96 O ATOM 1113 CB SER S 72 15.906 -3.789 6.620 1.00 1.20 C ATOM 1114 OG SER S 72 14.925 -3.499 7.590 1.00 1.61 O ATOM 0 H SER S 72 16.321 -4.810 3.643 1.00 1.13 H new ATOM 0 HA SER S 72 16.009 -5.691 5.704 1.00 1.00 H new ATOM 0 HB2 SER S 72 16.787 -4.198 7.115 1.00 1.20 H new ATOM 0 HB3 SER S 72 16.214 -2.862 6.136 1.00 1.20 H new ATOM 0 HG SER S 72 15.288 -2.866 8.244 1.00 1.61 H new ATOM 1120 N GLU S 73 13.789 -6.289 6.466 1.00 0.95 N ATOM 1121 CA GLU S 73 12.484 -6.849 6.770 1.00 0.94 C ATOM 1122 C GLU S 73 11.340 -5.873 7.140 1.00 0.95 C ATOM 1123 O GLU S 73 10.177 -6.080 6.808 1.00 1.04 O ATOM 1124 CB GLU S 73 12.611 -7.854 7.895 1.00 1.03 C ATOM 1125 CG GLU S 73 13.515 -7.389 9.044 1.00 1.14 C ATOM 1126 CD GLU S 73 13.486 -8.450 10.158 1.00 1.67 C ATOM 1127 OE1 GLU S 73 13.466 -9.630 9.822 1.00 2.27 O ATOM 1128 OE2 GLU S 73 13.453 -8.104 11.344 1.00 2.08 O ATOM 0 H GLU S 73 14.569 -6.782 6.901 1.00 0.95 H new ATOM 0 HA GLU S 73 12.183 -7.283 5.817 1.00 0.94 H new ATOM 0 HB2 GLU S 73 11.618 -8.069 8.291 1.00 1.03 H new ATOM 0 HB3 GLU S 73 13.003 -8.788 7.492 1.00 1.03 H new ATOM 0 HG2 GLU S 73 14.535 -7.244 8.687 1.00 1.14 H new ATOM 0 HG3 GLU S 73 13.173 -6.428 9.429 1.00 1.14 H new ATOM 1135 N GLU S 74 11.704 -4.838 7.896 1.00 0.95 N ATOM 1136 CA GLU S 74 10.743 -3.802 8.261 1.00 1.02 C ATOM 1137 C GLU S 74 9.950 -3.300 7.037 1.00 0.98 C ATOM 1138 O GLU S 74 8.732 -3.132 7.045 1.00 1.04 O ATOM 1139 CB GLU S 74 11.557 -2.708 8.952 1.00 1.14 C ATOM 1140 CG GLU S 74 12.098 -3.218 10.305 1.00 1.29 C ATOM 1141 CD GLU S 74 12.506 -2.076 11.250 1.00 1.51 C ATOM 1142 OE1 GLU S 74 12.875 -1.007 10.774 1.00 2.13 O ATOM 1143 OE2 GLU S 74 12.460 -2.262 12.463 1.00 1.73 O ATOM 0 H GLU S 74 12.645 -4.696 8.263 1.00 0.95 H new ATOM 0 HA GLU S 74 9.973 -4.179 8.934 1.00 1.02 H new ATOM 0 HB2 GLU S 74 12.386 -2.403 8.313 1.00 1.14 H new ATOM 0 HB3 GLU S 74 10.935 -1.827 9.110 1.00 1.14 H new ATOM 0 HG2 GLU S 74 11.336 -3.830 10.789 1.00 1.29 H new ATOM 0 HG3 GLU S 74 12.959 -3.862 10.128 1.00 1.29 H new ATOM 1150 N CYS S 75 10.758 -3.180 5.981 1.00 0.94 N ATOM 1151 CA CYS S 75 10.298 -2.826 4.667 1.00 0.99 C ATOM 1152 C CYS S 75 10.038 -4.037 3.802 1.00 0.88 C ATOM 1153 O CYS S 75 10.440 -4.101 2.660 1.00 0.94 O ATOM 1154 CB CYS S 75 11.417 -2.035 4.049 1.00 1.09 C ATOM 1155 SG CYS S 75 11.946 -0.667 5.125 1.00 2.22 S ATOM 0 H CYS S 75 11.765 -3.332 6.032 1.00 0.94 H new ATOM 0 HA CYS S 75 9.359 -2.277 4.740 1.00 0.99 H new ATOM 0 HB2 CYS S 75 12.264 -2.693 3.854 1.00 1.09 H new ATOM 0 HB3 CYS S 75 11.094 -1.638 3.087 1.00 1.09 H new ATOM 0 HG CYS S 75 12.930 -0.030 4.564 1.00 2.22 H new ATOM 1161 N LEU S 76 9.305 -4.966 4.369 1.00 0.77 N ATOM 1162 CA LEU S 76 8.653 -5.982 3.534 1.00 0.72 C ATOM 1163 C LEU S 76 7.223 -5.675 3.743 1.00 0.47 C ATOM 1164 O LEU S 76 7.084 -4.586 4.267 1.00 0.51 O ATOM 1165 CB LEU S 76 8.997 -7.294 4.136 1.00 0.93 C ATOM 1166 CG LEU S 76 10.476 -7.553 4.053 1.00 1.01 C ATOM 1167 CD1 LEU S 76 10.726 -8.848 4.807 1.00 1.79 C ATOM 1168 CD2 LEU S 76 10.980 -7.551 2.618 1.00 1.42 C ATOM 0 H LEU S 76 9.140 -5.051 5.372 1.00 0.77 H new ATOM 0 HA LEU S 76 8.929 -5.997 2.480 1.00 0.72 H new ATOM 0 HB2 LEU S 76 8.678 -7.315 5.178 1.00 0.93 H new ATOM 0 HB3 LEU S 76 8.456 -8.088 3.621 1.00 0.93 H new ATOM 0 HG LEU S 76 11.052 -6.751 4.516 1.00 1.01 H new ATOM 0 HD11 LEU S 76 11.789 -9.086 4.779 1.00 1.79 H new ATOM 0 HD12 LEU S 76 10.407 -8.733 5.843 1.00 1.79 H new ATOM 0 HD13 LEU S 76 10.161 -9.655 4.341 1.00 1.79 H new ATOM 0 HD21 LEU S 76 12.053 -7.742 2.609 1.00 1.42 H new ATOM 0 HD22 LEU S 76 10.468 -8.329 2.051 1.00 1.42 H new ATOM 0 HD23 LEU S 76 10.781 -6.580 2.164 1.00 1.42 H new ATOM 1180 N PHE S 77 6.259 -6.609 3.437 1.00 0.36 N ATOM 1181 CA PHE S 77 4.780 -6.526 3.433 1.00 0.27 C ATOM 1182 C PHE S 77 4.140 -7.890 3.263 1.00 0.29 C ATOM 1183 O PHE S 77 4.829 -8.849 3.444 1.00 0.40 O ATOM 1184 CB PHE S 77 4.268 -5.524 2.412 1.00 0.49 C ATOM 1185 CG PHE S 77 4.350 -4.134 2.956 1.00 0.37 C ATOM 1186 CD1 PHE S 77 4.746 -3.782 4.228 1.00 1.31 C ATOM 1187 CD2 PHE S 77 3.964 -3.123 2.166 1.00 0.98 C ATOM 1188 CE1 PHE S 77 4.791 -2.505 4.722 1.00 1.43 C ATOM 1189 CE2 PHE S 77 3.999 -1.814 2.618 1.00 1.04 C ATOM 1190 CZ PHE S 77 4.399 -1.491 3.898 1.00 0.77 C ATOM 0 H PHE S 77 6.552 -7.545 3.156 1.00 0.36 H new ATOM 0 HA PHE S 77 4.480 -6.155 4.413 1.00 0.27 H new ATOM 0 HB2 PHE S 77 4.854 -5.598 1.496 1.00 0.49 H new ATOM 0 HB3 PHE S 77 3.236 -5.758 2.150 1.00 0.49 H new ATOM 0 HD1 PHE S 77 5.046 -4.580 4.891 1.00 1.31 H new ATOM 0 HD2 PHE S 77 3.621 -3.331 1.163 1.00 0.98 H new ATOM 0 HE1 PHE S 77 5.126 -2.308 5.730 1.00 1.43 H new ATOM 0 HE2 PHE S 77 3.704 -1.021 1.947 1.00 1.04 H new ATOM 0 HZ PHE S 77 4.402 -0.466 4.238 1.00 0.77 H new ATOM 1200 N LEU S 78 2.820 -8.010 2.955 1.00 0.33 N ATOM 1201 CA LEU S 78 2.176 -9.330 2.812 1.00 0.39 C ATOM 1202 C LEU S 78 1.675 -9.417 1.383 1.00 0.38 C ATOM 1203 O LEU S 78 1.518 -8.381 0.741 1.00 0.40 O ATOM 1204 CB LEU S 78 0.963 -9.560 3.725 1.00 0.48 C ATOM 1205 CG LEU S 78 -0.369 -9.063 3.125 1.00 0.90 C ATOM 1206 CD1 LEU S 78 -1.430 -10.154 2.990 1.00 1.41 C ATOM 1207 CD2 LEU S 78 -0.578 -7.707 3.693 1.00 1.49 C ATOM 0 H LEU S 78 2.196 -7.218 2.804 1.00 0.33 H new ATOM 0 HA LEU S 78 2.920 -10.078 3.085 1.00 0.39 H new ATOM 0 HB2 LEU S 78 0.879 -10.625 3.941 1.00 0.48 H new ATOM 0 HB3 LEU S 78 1.134 -9.055 4.676 1.00 0.48 H new ATOM 0 HG LEU S 78 -0.413 -8.870 2.053 1.00 0.90 H new ATOM 0 HD11 LEU S 78 -2.337 -9.728 2.561 1.00 1.41 H new ATOM 0 HD12 LEU S 78 -1.058 -10.945 2.339 1.00 1.41 H new ATOM 0 HD13 LEU S 78 -1.653 -10.568 3.973 1.00 1.41 H new ATOM 0 HD21 LEU S 78 -1.509 -7.291 3.309 1.00 1.49 H new ATOM 0 HD22 LEU S 78 -0.631 -7.772 4.780 1.00 1.49 H new ATOM 0 HD23 LEU S 78 0.252 -7.061 3.408 1.00 1.49 H new ATOM 1219 N GLU S 79 1.261 -10.631 1.034 1.00 0.43 N ATOM 1220 CA GLU S 79 0.711 -10.912 -0.265 1.00 0.45 C ATOM 1221 C GLU S 79 -0.527 -11.815 -0.097 1.00 0.43 C ATOM 1222 O GLU S 79 -0.442 -13.012 0.182 1.00 0.69 O ATOM 1223 CB GLU S 79 1.799 -11.606 -1.083 1.00 0.56 C ATOM 1224 CG GLU S 79 1.548 -11.327 -2.564 1.00 0.66 C ATOM 1225 CD GLU S 79 2.398 -12.143 -3.533 1.00 0.99 C ATOM 1226 OE1 GLU S 79 2.491 -13.354 -3.362 1.00 1.42 O ATOM 1227 OE2 GLU S 79 2.859 -11.571 -4.511 1.00 1.77 O ATOM 0 H GLU S 79 1.302 -11.441 1.653 1.00 0.43 H new ATOM 0 HA GLU S 79 0.397 -10.003 -0.778 1.00 0.45 H new ATOM 0 HB2 GLU S 79 2.783 -11.240 -0.791 1.00 0.56 H new ATOM 0 HB3 GLU S 79 1.788 -12.679 -0.893 1.00 0.56 H new ATOM 0 HG2 GLU S 79 0.497 -11.517 -2.780 1.00 0.66 H new ATOM 0 HG3 GLU S 79 1.726 -10.268 -2.753 1.00 0.66 H new ATOM 1234 N ARG S 80 -1.689 -11.158 -0.234 1.00 0.46 N ATOM 1235 CA ARG S 80 -2.905 -11.945 -0.309 1.00 0.44 C ATOM 1236 C ARG S 80 -3.830 -11.263 -1.304 1.00 0.49 C ATOM 1237 O ARG S 80 -4.394 -10.209 -1.038 1.00 0.64 O ATOM 1238 CB ARG S 80 -3.604 -12.095 1.052 1.00 0.49 C ATOM 1239 CG ARG S 80 -2.997 -13.116 1.994 1.00 0.98 C ATOM 1240 CD ARG S 80 -4.133 -13.802 2.719 1.00 1.20 C ATOM 1241 NE ARG S 80 -4.522 -14.959 1.940 1.00 1.94 N ATOM 1242 CZ ARG S 80 -4.238 -16.172 2.414 1.00 2.48 C ATOM 1243 NH1 ARG S 80 -3.086 -16.368 3.059 1.00 2.91 N ATOM 1244 NH2 ARG S 80 -5.151 -17.114 2.283 1.00 3.24 N ATOM 0 H ARG S 80 -1.802 -10.146 -0.291 1.00 0.46 H new ATOM 0 HA ARG S 80 -2.651 -12.956 -0.628 1.00 0.44 H new ATOM 0 HB2 ARG S 80 -3.604 -11.125 1.549 1.00 0.49 H new ATOM 0 HB3 ARG S 80 -4.646 -12.364 0.877 1.00 0.49 H new ATOM 0 HG2 ARG S 80 -2.403 -13.842 1.440 1.00 0.98 H new ATOM 0 HG3 ARG S 80 -2.327 -12.631 2.704 1.00 0.98 H new ATOM 0 HD2 ARG S 80 -3.821 -14.102 3.719 1.00 1.20 H new ATOM 0 HD3 ARG S 80 -4.976 -13.121 2.839 1.00 1.20 H new ATOM 0 HE ARG S 80 -5.003 -14.848 1.047 1.00 1.94 H new ATOM 0 HH11 ARG S 80 -2.434 -15.594 3.185 1.00 2.91 H new ATOM 0 HH12 ARG S 80 -2.858 -17.292 3.426 1.00 2.91 H new ATOM 0 HH21 ARG S 80 -6.040 -16.903 1.831 1.00 3.24 H new ATOM 0 HH22 ARG S 80 -4.968 -18.054 2.634 1.00 3.24 H new ATOM 1258 N LEU S 81 -3.950 -11.908 -2.448 1.00 0.49 N ATOM 1259 CA LEU S 81 -4.958 -11.527 -3.405 1.00 0.55 C ATOM 1260 C LEU S 81 -5.988 -12.646 -3.288 1.00 0.61 C ATOM 1261 O LEU S 81 -5.616 -13.807 -3.355 1.00 0.69 O ATOM 1262 CB LEU S 81 -4.286 -11.527 -4.779 1.00 0.65 C ATOM 1263 CG LEU S 81 -5.150 -11.096 -5.991 1.00 0.62 C ATOM 1264 CD1 LEU S 81 -4.844 -12.040 -7.138 1.00 1.04 C ATOM 1265 CD2 LEU S 81 -6.652 -10.933 -5.697 1.00 1.04 C ATOM 0 H LEU S 81 -3.364 -12.693 -2.732 1.00 0.49 H new ATOM 0 HA LEU S 81 -5.413 -10.548 -3.250 1.00 0.55 H new ATOM 0 HB2 LEU S 81 -3.419 -10.868 -4.731 1.00 0.65 H new ATOM 0 HB3 LEU S 81 -3.912 -12.532 -4.972 1.00 0.65 H new ATOM 0 HG LEU S 81 -4.873 -10.079 -6.269 1.00 0.62 H new ATOM 0 HD11 LEU S 81 -5.439 -11.761 -8.008 1.00 1.04 H new ATOM 0 HD12 LEU S 81 -3.785 -11.978 -7.388 1.00 1.04 H new ATOM 0 HD13 LEU S 81 -5.088 -13.061 -6.844 1.00 1.04 H new ATOM 0 HD21 LEU S 81 -7.170 -10.630 -6.607 1.00 1.04 H new ATOM 0 HD22 LEU S 81 -7.059 -11.881 -5.346 1.00 1.04 H new ATOM 0 HD23 LEU S 81 -6.792 -10.172 -4.929 1.00 1.04 H new ATOM 1277 N GLU S 82 -7.246 -12.218 -3.067 1.00 0.64 N ATOM 1278 CA GLU S 82 -8.446 -13.034 -3.179 1.00 0.75 C ATOM 1279 C GLU S 82 -8.429 -14.033 -4.381 1.00 0.77 C ATOM 1280 O GLU S 82 -7.674 -14.996 -4.424 1.00 0.79 O ATOM 1281 CB GLU S 82 -9.649 -12.063 -3.196 1.00 0.80 C ATOM 1282 CG GLU S 82 -9.692 -11.021 -4.346 1.00 1.17 C ATOM 1283 CD GLU S 82 -11.141 -10.706 -4.703 1.00 1.68 C ATOM 1284 OE1 GLU S 82 -11.969 -10.653 -3.793 1.00 2.14 O ATOM 1285 OE2 GLU S 82 -11.428 -10.547 -5.883 1.00 2.24 O ATOM 0 H GLU S 82 -7.450 -11.256 -2.796 1.00 0.64 H new ATOM 0 HA GLU S 82 -8.516 -13.704 -2.322 1.00 0.75 H new ATOM 0 HB2 GLU S 82 -10.563 -12.655 -3.240 1.00 0.80 H new ATOM 0 HB3 GLU S 82 -9.664 -11.524 -2.249 1.00 0.80 H new ATOM 0 HG2 GLU S 82 -9.176 -10.110 -4.043 1.00 1.17 H new ATOM 0 HG3 GLU S 82 -9.168 -11.408 -5.220 1.00 1.17 H new ATOM 1292 N GLU S 83 -9.343 -13.786 -5.335 1.00 0.83 N ATOM 1293 CA GLU S 83 -9.319 -14.483 -6.611 1.00 0.90 C ATOM 1294 C GLU S 83 -8.246 -13.849 -7.519 1.00 0.85 C ATOM 1295 O GLU S 83 -7.124 -14.327 -7.620 1.00 0.92 O ATOM 1296 CB GLU S 83 -10.728 -14.427 -7.218 1.00 0.98 C ATOM 1297 CG GLU S 83 -11.731 -15.270 -6.405 1.00 1.57 C ATOM 1298 CD GLU S 83 -12.400 -16.341 -7.280 1.00 1.95 C ATOM 1299 OE1 GLU S 83 -11.847 -17.436 -7.390 1.00 2.29 O ATOM 1300 OE2 GLU S 83 -13.458 -16.064 -7.837 1.00 2.38 O ATOM 0 H GLU S 83 -10.101 -13.110 -5.238 1.00 0.83 H new ATOM 0 HA GLU S 83 -9.049 -15.532 -6.490 1.00 0.90 H new ATOM 0 HB2 GLU S 83 -11.068 -13.392 -7.255 1.00 0.98 H new ATOM 0 HB3 GLU S 83 -10.697 -14.789 -8.246 1.00 0.98 H new ATOM 0 HG2 GLU S 83 -11.216 -15.748 -5.572 1.00 1.57 H new ATOM 0 HG3 GLU S 83 -12.493 -14.619 -5.977 1.00 1.57 H new ATOM 1307 N ASN S 84 -8.631 -12.735 -8.165 1.00 0.81 N ATOM 1308 CA ASN S 84 -7.700 -12.093 -9.091 1.00 0.81 C ATOM 1309 C ASN S 84 -8.141 -10.668 -9.367 1.00 0.77 C ATOM 1310 O ASN S 84 -8.945 -10.439 -10.262 1.00 0.97 O ATOM 1311 CB ASN S 84 -7.528 -12.899 -10.397 1.00 0.94 C ATOM 1312 CG ASN S 84 -7.014 -12.064 -11.592 1.00 1.72 C ATOM 1313 OD1 ASN S 84 -6.301 -11.077 -11.460 1.00 2.46 O ATOM 1314 ND2 ASN S 84 -7.510 -12.459 -12.765 1.00 2.49 N ATOM 0 H ASN S 84 -9.539 -12.281 -8.067 1.00 0.81 H new ATOM 0 HA ASN S 84 -6.719 -12.067 -8.617 1.00 0.81 H new ATOM 0 HB2 ASN S 84 -6.834 -13.720 -10.216 1.00 0.94 H new ATOM 0 HB3 ASN S 84 -8.486 -13.345 -10.665 1.00 0.94 H new ATOM 0 HD21 ASN S 84 -7.300 -11.930 -13.612 1.00 2.49 H new ATOM 0 HD22 ASN S 84 -8.099 -13.290 -12.816 1.00 2.49 H new ATOM 1321 N ASN S 85 -7.579 -9.723 -8.595 1.00 0.67 N ATOM 1322 CA ASN S 85 -7.957 -8.333 -8.785 1.00 0.65 C ATOM 1323 C ASN S 85 -7.161 -7.357 -7.862 1.00 0.58 C ATOM 1324 O ASN S 85 -6.598 -6.383 -8.348 1.00 0.66 O ATOM 1325 CB ASN S 85 -9.486 -8.201 -8.620 1.00 0.69 C ATOM 1326 CG ASN S 85 -10.074 -6.939 -9.258 1.00 0.80 C ATOM 1327 OD1 ASN S 85 -9.418 -6.109 -9.884 1.00 1.40 O ATOM 1328 ND2 ASN S 85 -11.401 -6.893 -9.118 1.00 1.35 N ATOM 0 H ASN S 85 -6.889 -9.895 -7.864 1.00 0.67 H new ATOM 0 HA ASN S 85 -7.687 -8.032 -9.797 1.00 0.65 H new ATOM 0 HB2 ASN S 85 -9.966 -9.075 -9.060 1.00 0.69 H new ATOM 0 HB3 ASN S 85 -9.728 -8.205 -7.557 1.00 0.69 H new ATOM 0 HD21 ASN S 85 -11.933 -6.135 -9.545 1.00 1.35 H new ATOM 0 HD22 ASN S 85 -11.883 -7.616 -8.584 1.00 1.35 H new ATOM 1335 N TYR S 86 -7.165 -7.599 -6.526 1.00 0.52 N ATOM 1336 CA TYR S 86 -6.628 -6.643 -5.537 1.00 0.47 C ATOM 1337 C TYR S 86 -6.109 -7.398 -4.318 1.00 0.50 C ATOM 1338 O TYR S 86 -6.639 -8.420 -3.918 1.00 0.68 O ATOM 1339 CB TYR S 86 -7.648 -5.603 -4.980 1.00 0.44 C ATOM 1340 CG TYR S 86 -9.040 -6.086 -4.725 1.00 0.50 C ATOM 1341 CD1 TYR S 86 -9.782 -6.665 -5.724 1.00 1.29 C ATOM 1342 CD2 TYR S 86 -9.602 -5.974 -3.474 1.00 1.38 C ATOM 1343 CE1 TYR S 86 -11.002 -7.267 -5.464 1.00 1.40 C ATOM 1344 CE2 TYR S 86 -10.845 -6.524 -3.194 1.00 1.44 C ATOM 1345 CZ TYR S 86 -11.535 -7.195 -4.189 1.00 0.83 C ATOM 1346 OH TYR S 86 -12.747 -7.776 -3.906 1.00 1.04 O ATOM 0 H TYR S 86 -7.537 -8.454 -6.113 1.00 0.52 H new ATOM 0 HA TYR S 86 -5.859 -6.103 -6.090 1.00 0.47 H new ATOM 0 HB2 TYR S 86 -7.251 -5.206 -4.046 1.00 0.44 H new ATOM 0 HB3 TYR S 86 -7.701 -4.771 -5.683 1.00 0.44 H new ATOM 0 HD1 TYR S 86 -9.406 -6.651 -6.736 1.00 1.29 H new ATOM 0 HD2 TYR S 86 -9.067 -5.449 -2.697 1.00 1.38 H new ATOM 0 HE1 TYR S 86 -11.532 -7.787 -6.248 1.00 1.40 H new ATOM 0 HE2 TYR S 86 -11.271 -6.429 -2.206 1.00 1.44 H new ATOM 0 HH TYR S 86 -12.623 -8.737 -3.761 1.00 1.04 H new ATOM 1356 N ASN S 87 -5.040 -6.832 -3.704 1.00 0.45 N ATOM 1357 CA ASN S 87 -4.267 -7.629 -2.763 1.00 0.49 C ATOM 1358 C ASN S 87 -4.115 -6.771 -1.559 1.00 0.44 C ATOM 1359 O ASN S 87 -3.914 -5.582 -1.668 1.00 0.52 O ATOM 1360 CB ASN S 87 -2.845 -7.960 -3.249 1.00 0.57 C ATOM 1361 CG ASN S 87 -2.929 -8.344 -4.700 1.00 1.32 C ATOM 1362 OD1 ASN S 87 -3.982 -8.688 -5.166 1.00 2.11 O ATOM 1363 ND2 ASN S 87 -1.853 -8.264 -5.415 1.00 2.01 N ATOM 0 H ASN S 87 -4.718 -5.874 -3.843 1.00 0.45 H new ATOM 0 HA ASN S 87 -4.783 -8.576 -2.604 1.00 0.49 H new ATOM 0 HB2 ASN S 87 -2.188 -7.100 -3.120 1.00 0.57 H new ATOM 0 HB3 ASN S 87 -2.422 -8.776 -2.663 1.00 0.57 H new ATOM 0 HD21 ASN S 87 -1.882 -8.497 -6.408 1.00 2.01 H new ATOM 0 HD22 ASN S 87 -0.976 -7.968 -4.986 1.00 2.01 H new ATOM 1370 N THR S 88 -4.208 -7.449 -0.445 1.00 0.44 N ATOM 1371 CA THR S 88 -3.954 -6.921 0.873 1.00 0.44 C ATOM 1372 C THR S 88 -2.777 -5.877 0.881 1.00 0.35 C ATOM 1373 O THR S 88 -3.030 -4.735 0.568 1.00 0.40 O ATOM 1374 CB THR S 88 -3.909 -8.110 1.839 1.00 0.62 C ATOM 1375 OG1 THR S 88 -3.732 -9.234 1.066 1.00 1.04 O ATOM 1376 CG2 THR S 88 -5.173 -8.462 2.647 1.00 0.61 C ATOM 0 H THR S 88 -4.476 -8.433 -0.430 1.00 0.44 H new ATOM 0 HA THR S 88 -4.756 -6.283 1.244 1.00 0.44 H new ATOM 0 HB THR S 88 -3.138 -7.822 2.553 1.00 0.62 H new ATOM 0 HG1 THR S 88 -4.582 -9.477 0.642 1.00 1.04 H new ATOM 0 HG21 THR S 88 -4.971 -9.326 3.280 1.00 0.61 H new ATOM 0 HG22 THR S 88 -5.454 -7.613 3.270 1.00 0.61 H new ATOM 0 HG23 THR S 88 -5.989 -8.696 1.963 1.00 0.61 H new ATOM 1384 N TYR S 89 -1.530 -6.258 1.233 1.00 0.41 N ATOM 1385 CA TYR S 89 -0.340 -5.386 1.402 1.00 0.41 C ATOM 1386 C TYR S 89 -0.175 -4.860 2.824 1.00 0.56 C ATOM 1387 O TYR S 89 -1.047 -4.976 3.673 1.00 0.67 O ATOM 1388 CB TYR S 89 -0.305 -4.123 0.545 1.00 0.36 C ATOM 1389 CG TYR S 89 -0.370 -4.428 -0.879 1.00 0.32 C ATOM 1390 CD1 TYR S 89 0.521 -5.301 -1.423 1.00 1.24 C ATOM 1391 CD2 TYR S 89 -1.389 -3.899 -1.635 1.00 1.24 C ATOM 1392 CE1 TYR S 89 0.296 -5.716 -2.702 1.00 1.25 C ATOM 1393 CE2 TYR S 89 -1.551 -4.210 -2.957 1.00 1.24 C ATOM 1394 CZ TYR S 89 -0.725 -5.166 -3.477 1.00 0.35 C ATOM 1395 OH TYR S 89 -0.983 -5.574 -4.753 1.00 0.40 O ATOM 0 H TYR S 89 -1.311 -7.237 1.418 1.00 0.41 H new ATOM 0 HA TYR S 89 0.449 -6.074 1.099 1.00 0.41 H new ATOM 0 HB2 TYR S 89 -1.140 -3.478 0.816 1.00 0.36 H new ATOM 0 HB3 TYR S 89 0.609 -3.567 0.755 1.00 0.36 H new ATOM 0 HD1 TYR S 89 1.375 -5.652 -0.862 1.00 1.24 H new ATOM 0 HD2 TYR S 89 -2.084 -3.216 -1.170 1.00 1.24 H new ATOM 0 HE1 TYR S 89 0.922 -6.488 -3.125 1.00 1.25 H new ATOM 0 HE2 TYR S 89 -2.299 -3.721 -3.563 1.00 1.24 H new ATOM 0 HH TYR S 89 -0.206 -6.055 -5.106 1.00 0.40 H new ATOM 1405 N LYS S 90 1.026 -4.264 2.995 1.00 0.83 N ATOM 1406 CA LYS S 90 1.580 -3.889 4.289 1.00 1.03 C ATOM 1407 C LYS S 90 1.801 -5.138 5.103 1.00 0.46 C ATOM 1408 O LYS S 90 0.952 -5.992 5.090 1.00 1.28 O ATOM 1409 CB LYS S 90 0.781 -2.933 5.110 1.00 2.02 C ATOM 1410 CG LYS S 90 1.072 -2.908 6.553 1.00 2.42 C ATOM 1411 CD LYS S 90 0.576 -1.718 7.375 1.00 3.33 C ATOM 1412 CE LYS S 90 1.773 -1.341 8.207 1.00 3.96 C ATOM 1413 NZ LYS S 90 2.439 -2.550 8.764 1.00 4.70 N ATOM 0 H LYS S 90 1.639 -4.031 2.214 1.00 0.83 H new ATOM 0 HA LYS S 90 2.500 -3.356 4.047 1.00 1.03 H new ATOM 0 HB2 LYS S 90 0.935 -1.930 4.713 1.00 2.02 H new ATOM 0 HB3 LYS S 90 -0.275 -3.169 4.978 1.00 2.02 H new ATOM 0 HG2 LYS S 90 0.652 -3.813 6.992 1.00 2.42 H new ATOM 0 HG3 LYS S 90 2.154 -2.968 6.675 1.00 2.42 H new ATOM 0 HD2 LYS S 90 0.256 -0.895 6.736 1.00 3.33 H new ATOM 0 HD3 LYS S 90 -0.277 -1.988 7.998 1.00 3.33 H new ATOM 0 HE2 LYS S 90 2.481 -0.780 7.598 1.00 3.96 H new ATOM 0 HE3 LYS S 90 1.463 -0.685 9.021 1.00 3.96 H new ATOM 0 HZ1 LYS S 90 2.872 -2.317 9.680 1.00 4.70 H new ATOM 0 HZ2 LYS S 90 1.735 -3.304 8.895 1.00 4.70 H new ATOM 0 HZ3 LYS S 90 3.176 -2.875 8.106 1.00 4.70 H new ATOM 1427 N SER S 91 2.849 -5.144 5.885 1.00 0.63 N ATOM 1428 CA SER S 91 3.276 -6.200 6.757 1.00 1.35 C ATOM 1429 C SER S 91 4.736 -5.878 6.927 1.00 1.35 C ATOM 1430 O SER S 91 5.040 -4.695 7.012 1.00 2.31 O ATOM 1431 CB SER S 91 2.912 -7.611 6.266 1.00 2.43 C ATOM 1432 OG SER S 91 1.916 -8.096 7.135 1.00 2.85 O ATOM 0 H SER S 91 3.476 -4.341 5.929 1.00 0.63 H new ATOM 0 HA SER S 91 2.762 -6.238 7.717 1.00 1.35 H new ATOM 0 HB2 SER S 91 2.549 -7.582 5.239 1.00 2.43 H new ATOM 0 HB3 SER S 91 3.786 -8.262 6.277 1.00 2.43 H new ATOM 0 HG SER S 91 1.651 -8.998 6.858 1.00 2.85 H new ATOM 1438 N LYS S 92 5.538 -6.940 7.035 1.00 0.72 N ATOM 1439 CA LYS S 92 6.965 -6.874 7.192 1.00 0.91 C ATOM 1440 C LYS S 92 7.350 -8.365 6.990 1.00 0.84 C ATOM 1441 O LYS S 92 7.419 -8.807 5.867 1.00 1.15 O ATOM 1442 CB LYS S 92 7.437 -6.184 8.509 1.00 1.53 C ATOM 1443 CG LYS S 92 6.463 -5.157 9.159 1.00 1.88 C ATOM 1444 CD LYS S 92 6.518 -4.907 10.654 1.00 2.16 C ATOM 1445 CE LYS S 92 7.561 -5.746 11.359 1.00 2.28 C ATOM 1446 NZ LYS S 92 7.581 -5.424 12.772 1.00 2.56 N ATOM 0 H LYS S 92 5.184 -7.896 7.013 1.00 0.72 H new ATOM 0 HA LYS S 92 7.479 -6.219 6.489 1.00 0.91 H new ATOM 0 HB2 LYS S 92 7.647 -6.962 9.243 1.00 1.53 H new ATOM 0 HB3 LYS S 92 8.379 -5.675 8.306 1.00 1.53 H new ATOM 0 HG2 LYS S 92 6.622 -4.199 8.663 1.00 1.88 H new ATOM 0 HG3 LYS S 92 5.448 -5.475 8.920 1.00 1.88 H new ATOM 0 HD2 LYS S 92 6.728 -3.852 10.832 1.00 2.16 H new ATOM 0 HD3 LYS S 92 5.540 -5.115 11.087 1.00 2.16 H new ATOM 0 HE2 LYS S 92 7.342 -6.805 11.222 1.00 2.28 H new ATOM 0 HE3 LYS S 92 8.543 -5.564 10.922 1.00 2.28 H new ATOM 0 HZ1 LYS S 92 8.300 -6.004 13.250 1.00 2.56 H new ATOM 0 HZ2 LYS S 92 7.810 -4.417 12.895 1.00 2.56 H new ATOM 0 HZ3 LYS S 92 6.647 -5.619 13.186 1.00 2.56 H new ATOM 1460 N VAL S 93 7.453 -9.066 8.137 1.00 1.11 N ATOM 1461 CA VAL S 93 7.838 -10.478 8.154 1.00 1.49 C ATOM 1462 C VAL S 93 6.655 -11.267 8.682 1.00 1.88 C ATOM 1463 O VAL S 93 5.917 -11.985 8.016 1.00 2.22 O ATOM 1464 CB VAL S 93 9.166 -10.638 8.952 1.00 1.60 C ATOM 1465 CG1 VAL S 93 9.364 -11.956 9.732 1.00 2.12 C ATOM 1466 CG2 VAL S 93 10.343 -10.425 8.001 1.00 1.53 C ATOM 0 H VAL S 93 7.273 -8.671 9.060 1.00 1.11 H new ATOM 0 HA VAL S 93 8.060 -10.877 7.164 1.00 1.49 H new ATOM 0 HB VAL S 93 9.109 -9.880 9.733 1.00 1.60 H new ATOM 0 HG11 VAL S 93 10.327 -11.936 10.241 1.00 2.12 H new ATOM 0 HG12 VAL S 93 8.567 -12.067 10.467 1.00 2.12 H new ATOM 0 HG13 VAL S 93 9.338 -12.797 9.039 1.00 2.12 H new ATOM 0 HG21 VAL S 93 11.278 -10.535 8.550 1.00 1.53 H new ATOM 0 HG22 VAL S 93 10.303 -11.164 7.201 1.00 1.53 H new ATOM 0 HG23 VAL S 93 10.289 -9.424 7.573 1.00 1.53 H new ATOM 1476 N HIS S 94 6.459 -11.044 9.984 1.00 2.01 N ATOM 1477 CA HIS S 94 5.358 -11.735 10.608 1.00 2.54 C ATOM 1478 C HIS S 94 4.041 -11.340 9.937 1.00 2.47 C ATOM 1479 O HIS S 94 3.918 -10.374 9.193 1.00 2.75 O ATOM 1480 CB HIS S 94 5.372 -11.480 12.116 1.00 3.13 C ATOM 1481 CG HIS S 94 6.204 -12.559 12.770 1.00 3.87 C ATOM 1482 ND1 HIS S 94 7.438 -12.930 12.361 1.00 4.54 N ATOM 1483 CD2 HIS S 94 5.840 -13.366 13.857 1.00 4.49 C ATOM 1484 CE1 HIS S 94 7.812 -13.934 13.173 1.00 5.33 C ATOM 1485 NE2 HIS S 94 6.863 -14.217 14.084 1.00 5.35 N ATOM 0 H HIS S 94 7.013 -10.431 10.583 1.00 2.01 H new ATOM 0 HA HIS S 94 5.463 -12.811 10.472 1.00 2.54 H new ATOM 0 HB2 HIS S 94 5.789 -10.496 12.331 1.00 3.13 H new ATOM 0 HB3 HIS S 94 4.357 -11.490 12.513 1.00 3.13 H new ATOM 0 HD2 HIS S 94 4.914 -13.316 14.410 1.00 4.49 H new ATOM 0 HE1 HIS S 94 8.758 -14.450 13.103 1.00 5.33 H new ATOM 0 HE2 HIS S 94 6.908 -14.936 14.806 1.00 5.35 H new ATOM 1493 N ALA S 95 3.095 -12.253 10.201 1.00 2.51 N ATOM 1494 CA ALA S 95 1.773 -12.022 9.666 1.00 2.79 C ATOM 1495 C ALA S 95 1.082 -11.080 10.616 1.00 2.62 C ATOM 1496 O ALA S 95 0.595 -10.040 10.202 1.00 3.03 O ATOM 1497 CB ALA S 95 0.964 -13.317 9.489 1.00 3.28 C ATOM 0 H ALA S 95 3.219 -13.104 10.749 1.00 2.51 H new ATOM 0 HA ALA S 95 1.852 -11.597 8.666 1.00 2.79 H new ATOM 0 HB1 ALA S 95 -0.020 -13.079 9.084 1.00 3.28 H new ATOM 0 HB2 ALA S 95 1.488 -13.982 8.803 1.00 3.28 H new ATOM 0 HB3 ALA S 95 0.849 -13.809 10.455 1.00 3.28 H new ATOM 1503 N ASP S 96 1.007 -11.575 11.880 1.00 2.50 N ATOM 1504 CA ASP S 96 0.226 -10.978 12.958 1.00 2.97 C ATOM 1505 C ASP S 96 -1.103 -10.499 12.350 1.00 2.93 C ATOM 1506 O ASP S 96 -2.034 -11.281 12.184 1.00 3.77 O ATOM 1507 CB ASP S 96 1.093 -9.977 13.759 1.00 3.33 C ATOM 1508 CG ASP S 96 0.305 -8.754 14.188 1.00 4.35 C ATOM 1509 OD1 ASP S 96 -0.771 -8.907 14.772 1.00 5.09 O ATOM 1510 OD2 ASP S 96 0.682 -7.666 13.766 1.00 4.66 O ATOM 0 H ASP S 96 1.504 -12.418 12.168 1.00 2.50 H new ATOM 0 HA ASP S 96 -0.068 -11.676 13.742 1.00 2.97 H new ATOM 0 HB2 ASP S 96 1.498 -10.474 14.640 1.00 3.33 H new ATOM 0 HB3 ASP S 96 1.942 -9.665 13.150 1.00 3.33 H new ATOM 1515 N LYS S 97 -1.087 -9.231 11.938 1.00 2.39 N ATOM 1516 CA LYS S 97 -2.030 -8.560 11.101 1.00 2.92 C ATOM 1517 C LYS S 97 -2.276 -7.128 11.588 1.00 2.54 C ATOM 1518 O LYS S 97 -2.898 -6.313 10.905 1.00 3.36 O ATOM 1519 CB LYS S 97 -3.396 -9.234 10.993 1.00 3.53 C ATOM 1520 CG LYS S 97 -3.984 -9.400 12.408 1.00 3.65 C ATOM 1521 CD LYS S 97 -5.067 -8.416 12.799 1.00 4.62 C ATOM 1522 CE LYS S 97 -4.839 -7.672 14.105 1.00 5.14 C ATOM 1523 NZ LYS S 97 -4.757 -8.539 15.261 1.00 5.83 N ATOM 0 H LYS S 97 -0.333 -8.605 12.220 1.00 2.39 H new ATOM 0 HA LYS S 97 -1.563 -8.588 10.116 1.00 2.92 H new ATOM 0 HB2 LYS S 97 -4.064 -8.634 10.375 1.00 3.53 H new ATOM 0 HB3 LYS S 97 -3.300 -10.206 10.508 1.00 3.53 H new ATOM 0 HG2 LYS S 97 -4.389 -10.408 12.495 1.00 3.65 H new ATOM 0 HG3 LYS S 97 -3.171 -9.320 13.129 1.00 3.65 H new ATOM 0 HD2 LYS S 97 -5.174 -7.684 11.999 1.00 4.62 H new ATOM 0 HD3 LYS S 97 -6.013 -8.953 12.868 1.00 4.62 H new ATOM 0 HE2 LYS S 97 -3.917 -7.095 14.028 1.00 5.14 H new ATOM 0 HE3 LYS S 97 -5.650 -6.959 14.253 1.00 5.14 H new ATOM 0 HZ1 LYS S 97 -5.585 -8.384 15.871 1.00 5.83 H new ATOM 0 HZ2 LYS S 97 -4.737 -9.531 14.950 1.00 5.83 H new ATOM 0 HZ3 LYS S 97 -3.890 -8.326 15.794 1.00 5.83 H new ATOM 1537 N ASP S 98 -1.831 -6.875 12.833 1.00 1.91 N ATOM 1538 CA ASP S 98 -2.099 -5.665 13.618 1.00 2.40 C ATOM 1539 C ASP S 98 -1.646 -4.407 12.939 1.00 1.95 C ATOM 1540 O ASP S 98 -1.965 -3.313 13.360 1.00 2.63 O ATOM 1541 CB ASP S 98 -1.616 -5.797 15.091 1.00 3.57 C ATOM 1542 CG ASP S 98 -2.825 -6.122 15.982 1.00 4.61 C ATOM 1543 OD1 ASP S 98 -3.756 -5.328 15.980 1.00 5.10 O ATOM 1544 OD2 ASP S 98 -2.930 -7.209 16.557 1.00 5.22 O ATOM 0 H ASP S 98 -1.248 -7.542 13.338 1.00 1.91 H new ATOM 0 HA ASP S 98 -3.183 -5.569 13.674 1.00 2.40 H new ATOM 0 HB2 ASP S 98 -0.865 -6.583 15.173 1.00 3.57 H new ATOM 0 HB3 ASP S 98 -1.145 -4.870 15.418 1.00 3.57 H new ATOM 1549 N TRP S 99 -0.978 -4.618 11.810 1.00 1.21 N ATOM 1550 CA TRP S 99 -0.394 -3.554 11.060 1.00 1.03 C ATOM 1551 C TRP S 99 -0.391 -3.990 9.615 1.00 0.89 C ATOM 1552 O TRP S 99 0.622 -4.297 9.001 1.00 1.19 O ATOM 1553 CB TRP S 99 1.041 -3.406 11.493 1.00 1.57 C ATOM 1554 CG TRP S 99 1.178 -3.259 12.988 1.00 1.56 C ATOM 1555 CD1 TRP S 99 1.770 -4.157 13.880 1.00 2.19 C ATOM 1556 CD2 TRP S 99 0.681 -2.172 13.776 1.00 1.54 C ATOM 1557 NE1 TRP S 99 1.683 -3.655 15.141 1.00 2.35 N ATOM 1558 CE2 TRP S 99 1.056 -2.411 15.114 1.00 1.74 C ATOM 1559 CE3 TRP S 99 0.043 -1.021 13.418 1.00 2.07 C ATOM 1560 CZ2 TRP S 99 0.689 -1.513 16.082 1.00 1.76 C ATOM 1561 CZ3 TRP S 99 -0.335 -0.108 14.397 1.00 2.35 C ATOM 1562 CH2 TRP S 99 0.025 -0.336 15.725 1.00 1.92 C ATOM 0 H TRP S 99 -0.836 -5.542 11.402 1.00 1.21 H new ATOM 0 HA TRP S 99 -0.938 -2.620 11.204 1.00 1.03 H new ATOM 0 HB2 TRP S 99 1.609 -4.276 11.163 1.00 1.57 H new ATOM 0 HB3 TRP S 99 1.478 -2.535 11.003 1.00 1.57 H new ATOM 0 HD1 TRP S 99 2.224 -5.099 13.611 1.00 2.19 H new ATOM 0 HE1 TRP S 99 2.026 -4.120 15.982 1.00 2.35 H new ATOM 0 HE3 TRP S 99 -0.168 -0.819 12.378 1.00 2.07 H new ATOM 0 HZ2 TRP S 99 0.913 -1.714 17.119 1.00 1.76 H new ATOM 0 HZ3 TRP S 99 -0.903 0.771 14.131 1.00 2.35 H new ATOM 0 HH2 TRP S 99 -0.210 0.399 16.480 1.00 1.92 H new ATOM 1573 N PHE S 100 -1.603 -4.049 9.087 1.00 0.67 N ATOM 1574 CA PHE S 100 -1.758 -4.388 7.680 1.00 0.60 C ATOM 1575 C PHE S 100 -2.187 -3.089 6.958 1.00 0.52 C ATOM 1576 O PHE S 100 -2.491 -2.118 7.636 1.00 0.58 O ATOM 1577 CB PHE S 100 -2.823 -5.415 7.663 1.00 0.79 C ATOM 1578 CG PHE S 100 -2.520 -6.734 7.089 1.00 0.84 C ATOM 1579 CD1 PHE S 100 -2.742 -7.015 5.768 1.00 1.60 C ATOM 1580 CD2 PHE S 100 -2.134 -7.726 7.939 1.00 1.65 C ATOM 1581 CE1 PHE S 100 -2.750 -8.333 5.379 1.00 2.04 C ATOM 1582 CE2 PHE S 100 -2.054 -9.047 7.538 1.00 2.14 C ATOM 1583 CZ PHE S 100 -2.393 -9.353 6.240 1.00 2.05 C ATOM 0 H PHE S 100 -2.471 -3.873 9.593 1.00 0.67 H new ATOM 0 HA PHE S 100 -0.862 -4.769 7.189 1.00 0.60 H new ATOM 0 HB2 PHE S 100 -3.151 -5.569 8.691 1.00 0.79 H new ATOM 0 HB3 PHE S 100 -3.671 -5.003 7.116 1.00 0.79 H new ATOM 0 HD1 PHE S 100 -2.906 -6.224 5.052 1.00 1.60 H new ATOM 0 HD2 PHE S 100 -1.882 -7.473 8.958 1.00 1.65 H new ATOM 0 HE1 PHE S 100 -3.044 -8.579 4.369 1.00 2.04 H new ATOM 0 HE2 PHE S 100 -1.734 -9.817 8.224 1.00 2.14 H new ATOM 0 HZ PHE S 100 -2.380 -10.378 5.899 1.00 2.05 H new ATOM 1593 N VAL S 101 -2.162 -3.054 5.620 1.00 0.47 N ATOM 1594 CA VAL S 101 -2.126 -1.747 4.964 1.00 0.48 C ATOM 1595 C VAL S 101 -3.578 -1.380 4.861 1.00 0.55 C ATOM 1596 O VAL S 101 -4.462 -2.195 4.679 1.00 0.82 O ATOM 1597 CB VAL S 101 -1.405 -1.720 3.572 1.00 0.51 C ATOM 1598 CG1 VAL S 101 -2.195 -2.292 2.434 1.00 1.09 C ATOM 1599 CG2 VAL S 101 -0.423 -0.546 3.272 1.00 1.26 C ATOM 0 H VAL S 101 -2.166 -3.866 5.002 1.00 0.47 H new ATOM 0 HA VAL S 101 -1.528 -1.037 5.535 1.00 0.48 H new ATOM 0 HB VAL S 101 -0.637 -2.481 3.709 1.00 0.51 H new ATOM 0 HG11 VAL S 101 -1.610 -2.227 1.516 1.00 1.09 H new ATOM 0 HG12 VAL S 101 -2.429 -3.336 2.642 1.00 1.09 H new ATOM 0 HG13 VAL S 101 -3.121 -1.729 2.315 1.00 1.09 H new ATOM 0 HG21 VAL S 101 -0.005 -0.668 2.273 1.00 1.26 H new ATOM 0 HG22 VAL S 101 -0.960 0.401 3.328 1.00 1.26 H new ATOM 0 HG23 VAL S 101 0.383 -0.550 4.005 1.00 1.26 H new ATOM 1609 N GLY S 102 -3.887 -0.115 4.938 1.00 0.58 N ATOM 1610 CA GLY S 102 -5.146 0.117 4.292 1.00 0.70 C ATOM 1611 C GLY S 102 -5.175 1.489 3.888 1.00 0.60 C ATOM 1612 O GLY S 102 -4.435 2.263 4.447 1.00 0.63 O ATOM 0 H GLY S 102 -3.381 0.660 5.367 1.00 0.58 H new ATOM 0 HA2 GLY S 102 -5.261 -0.539 3.429 1.00 0.70 H new ATOM 0 HA3 GLY S 102 -5.971 -0.101 4.970 1.00 0.70 H new ATOM 1616 N ILE S 103 -6.091 1.784 2.989 1.00 0.58 N ATOM 1617 CA ILE S 103 -6.254 3.143 2.661 1.00 0.54 C ATOM 1618 C ILE S 103 -7.691 3.369 2.733 1.00 0.55 C ATOM 1619 O ILE S 103 -8.484 2.441 2.715 1.00 0.84 O ATOM 1620 CB ILE S 103 -5.544 3.524 1.357 1.00 0.74 C ATOM 1621 CG1 ILE S 103 -5.642 4.989 0.963 1.00 1.10 C ATOM 1622 CG2 ILE S 103 -6.016 2.827 0.113 1.00 1.19 C ATOM 1623 CD1 ILE S 103 -7.009 5.385 0.425 1.00 0.45 C ATOM 0 H ILE S 103 -6.697 1.122 2.505 1.00 0.58 H new ATOM 0 HA ILE S 103 -5.759 3.826 3.351 1.00 0.54 H new ATOM 0 HB ILE S 103 -4.535 3.223 1.641 1.00 0.74 H new ATOM 0 HG12 ILE S 103 -5.410 5.606 1.831 1.00 1.10 H new ATOM 0 HG13 ILE S 103 -4.887 5.205 0.207 1.00 1.10 H new ATOM 0 HG21 ILE S 103 -5.439 3.179 -0.742 1.00 1.19 H new ATOM 0 HG22 ILE S 103 -5.879 1.751 0.225 1.00 1.19 H new ATOM 0 HG23 ILE S 103 -7.072 3.044 -0.047 1.00 1.19 H new ATOM 0 HD11 ILE S 103 -7.005 6.443 0.165 1.00 0.45 H new ATOM 0 HD12 ILE S 103 -7.236 4.794 -0.462 1.00 0.45 H new ATOM 0 HD13 ILE S 103 -7.767 5.202 1.187 1.00 0.45 H new ATOM 1635 N LYS S 104 -7.974 4.651 2.893 1.00 0.73 N ATOM 1636 CA LYS S 104 -9.286 5.181 2.691 1.00 0.89 C ATOM 1637 C LYS S 104 -9.156 6.618 3.157 1.00 1.01 C ATOM 1638 O LYS S 104 -8.085 7.093 3.506 1.00 1.49 O ATOM 1639 CB LYS S 104 -10.268 4.253 3.437 1.00 1.52 C ATOM 1640 CG LYS S 104 -11.659 4.740 3.830 1.00 2.07 C ATOM 1641 CD LYS S 104 -11.662 5.309 5.181 1.00 2.62 C ATOM 1642 CE LYS S 104 -12.980 6.071 5.381 1.00 3.14 C ATOM 1643 NZ LYS S 104 -13.813 5.354 6.332 1.00 3.32 N ATOM 0 H LYS S 104 -7.284 5.349 3.170 1.00 0.73 H new ATOM 0 HA LYS S 104 -9.686 5.207 1.677 1.00 0.89 H new ATOM 0 HB2 LYS S 104 -10.403 3.366 2.818 1.00 1.52 H new ATOM 0 HB3 LYS S 104 -9.771 3.931 4.352 1.00 1.52 H new ATOM 0 HG2 LYS S 104 -11.999 5.490 3.116 1.00 2.07 H new ATOM 0 HG3 LYS S 104 -12.364 3.911 3.781 1.00 2.07 H new ATOM 0 HD2 LYS S 104 -11.563 4.519 5.926 1.00 2.62 H new ATOM 0 HD3 LYS S 104 -10.812 5.979 5.313 1.00 2.62 H new ATOM 0 HE2 LYS S 104 -12.779 7.079 5.745 1.00 3.14 H new ATOM 0 HE3 LYS S 104 -13.501 6.174 4.429 1.00 3.14 H new ATOM 0 HZ1 LYS S 104 -14.706 5.869 6.468 1.00 3.32 H new ATOM 0 HZ2 LYS S 104 -14.015 4.401 5.967 1.00 3.32 H new ATOM 0 HZ3 LYS S 104 -13.315 5.278 7.242 1.00 3.32 H new ATOM 1657 N LYS S 105 -10.340 7.202 3.206 1.00 1.36 N ATOM 1658 CA LYS S 105 -10.732 8.270 4.094 1.00 2.08 C ATOM 1659 C LYS S 105 -10.888 9.470 3.229 1.00 2.08 C ATOM 1660 O LYS S 105 -11.990 9.993 3.148 1.00 2.92 O ATOM 1661 CB LYS S 105 -9.876 8.557 5.370 1.00 2.84 C ATOM 1662 CG LYS S 105 -10.224 7.816 6.694 1.00 3.11 C ATOM 1663 CD LYS S 105 -10.972 8.647 7.724 1.00 4.06 C ATOM 1664 CE LYS S 105 -12.208 9.360 7.137 1.00 4.58 C ATOM 1665 NZ LYS S 105 -12.388 10.692 7.704 1.00 5.34 N ATOM 0 H LYS S 105 -11.098 6.921 2.585 1.00 1.36 H new ATOM 0 HA LYS S 105 -11.651 7.948 4.584 1.00 2.08 H new ATOM 0 HB2 LYS S 105 -8.838 8.329 5.128 1.00 2.84 H new ATOM 0 HB3 LYS S 105 -9.929 9.628 5.568 1.00 2.84 H new ATOM 0 HG2 LYS S 105 -10.824 6.939 6.453 1.00 3.11 H new ATOM 0 HG3 LYS S 105 -9.299 7.456 7.144 1.00 3.11 H new ATOM 0 HD2 LYS S 105 -11.286 8.002 8.545 1.00 4.06 H new ATOM 0 HD3 LYS S 105 -10.295 9.391 8.144 1.00 4.06 H new ATOM 0 HE2 LYS S 105 -12.103 9.437 6.055 1.00 4.58 H new ATOM 0 HE3 LYS S 105 -13.098 8.761 7.329 1.00 4.58 H new ATOM 0 HZ1 LYS S 105 -13.229 11.137 7.284 1.00 5.34 H new ATOM 0 HZ2 LYS S 105 -12.514 10.617 8.734 1.00 5.34 H new ATOM 0 HZ3 LYS S 105 -11.550 11.273 7.499 1.00 5.34 H new ATOM 1679 N ASN S 106 -9.737 9.811 2.656 1.00 1.75 N ATOM 1680 CA ASN S 106 -9.614 10.884 1.688 1.00 2.33 C ATOM 1681 C ASN S 106 -8.135 11.230 1.449 1.00 2.30 C ATOM 1682 O ASN S 106 -7.843 12.208 0.793 1.00 2.85 O ATOM 1683 CB ASN S 106 -10.420 12.172 1.992 1.00 3.03 C ATOM 1684 CG ASN S 106 -9.694 13.103 2.966 1.00 3.55 C ATOM 1685 OD1 ASN S 106 -9.190 12.673 4.007 1.00 4.06 O ATOM 1686 ND2 ASN S 106 -9.673 14.371 2.543 1.00 3.94 N ATOM 0 H ASN S 106 -8.855 9.340 2.857 1.00 1.75 H new ATOM 0 HA ASN S 106 -10.070 10.480 0.784 1.00 2.33 H new ATOM 0 HB2 ASN S 106 -10.612 12.705 1.061 1.00 3.03 H new ATOM 0 HB3 ASN S 106 -11.389 11.900 2.409 1.00 3.03 H new ATOM 0 HD21 ASN S 106 -9.208 15.087 3.101 1.00 3.94 H new ATOM 0 HD22 ASN S 106 -10.122 14.622 1.663 1.00 3.94 H new ATOM 1693 N GLY S 107 -7.238 10.438 2.064 1.00 2.04 N ATOM 1694 CA GLY S 107 -5.846 10.872 2.095 1.00 2.46 C ATOM 1695 C GLY S 107 -5.338 10.651 3.504 1.00 1.71 C ATOM 1696 O GLY S 107 -5.687 11.408 4.400 1.00 2.05 O ATOM 0 H GLY S 107 -7.441 9.548 2.519 1.00 2.04 H new ATOM 0 HA2 GLY S 107 -5.251 10.306 1.378 1.00 2.46 H new ATOM 0 HA3 GLY S 107 -5.765 11.923 1.817 1.00 2.46 H new ATOM 1700 N LYS S 108 -4.605 9.530 3.720 1.00 1.10 N ATOM 1701 CA LYS S 108 -3.960 9.124 4.996 1.00 1.25 C ATOM 1702 C LYS S 108 -3.998 7.626 5.299 1.00 1.13 C ATOM 1703 O LYS S 108 -3.525 7.153 6.322 1.00 2.05 O ATOM 1704 CB LYS S 108 -4.649 9.699 6.220 1.00 1.60 C ATOM 1705 CG LYS S 108 -6.175 9.408 6.194 1.00 1.91 C ATOM 1706 CD LYS S 108 -6.977 10.354 7.077 1.00 2.75 C ATOM 1707 CE LYS S 108 -6.619 11.860 6.960 1.00 3.12 C ATOM 1708 NZ LYS S 108 -6.457 12.488 8.262 1.00 3.62 N ATOM 0 H LYS S 108 -4.439 8.853 2.976 1.00 1.10 H new ATOM 0 HA LYS S 108 -2.946 9.488 4.834 1.00 1.25 H new ATOM 0 HB2 LYS S 108 -4.210 9.272 7.122 1.00 1.60 H new ATOM 0 HB3 LYS S 108 -4.482 10.775 6.263 1.00 1.60 H new ATOM 0 HG2 LYS S 108 -6.536 9.484 5.168 1.00 1.91 H new ATOM 0 HG3 LYS S 108 -6.349 8.382 6.518 1.00 1.91 H new ATOM 0 HD2 LYS S 108 -8.034 10.232 6.840 1.00 2.75 H new ATOM 0 HD3 LYS S 108 -6.846 10.049 8.115 1.00 2.75 H new ATOM 0 HE2 LYS S 108 -5.697 11.969 6.388 1.00 3.12 H new ATOM 0 HE3 LYS S 108 -7.402 12.376 6.404 1.00 3.12 H new ATOM 0 HZ1 LYS S 108 -6.219 13.492 8.136 1.00 3.62 H new ATOM 0 HZ2 LYS S 108 -7.344 12.407 8.799 1.00 3.62 H new ATOM 0 HZ3 LYS S 108 -5.692 12.014 8.783 1.00 3.62 H new ATOM 1722 N THR S 109 -4.602 6.897 4.387 1.00 0.46 N ATOM 1723 CA THR S 109 -4.638 5.477 4.592 1.00 0.53 C ATOM 1724 C THR S 109 -5.437 5.094 5.860 1.00 0.71 C ATOM 1725 O THR S 109 -6.288 5.812 6.373 1.00 1.64 O ATOM 1726 CB THR S 109 -3.253 4.742 4.437 1.00 0.72 C ATOM 1727 OG1 THR S 109 -2.714 3.970 5.484 1.00 1.49 O ATOM 1728 CG2 THR S 109 -2.109 5.641 4.133 1.00 1.15 C ATOM 0 H THR S 109 -5.052 7.245 3.540 1.00 0.46 H new ATOM 0 HA THR S 109 -5.202 5.076 3.750 1.00 0.53 H new ATOM 0 HB THR S 109 -3.596 4.086 3.637 1.00 0.72 H new ATOM 0 HG1 THR S 109 -2.823 3.018 5.278 1.00 1.49 H new ATOM 0 HG21 THR S 109 -1.197 5.051 4.043 1.00 1.15 H new ATOM 0 HG22 THR S 109 -2.297 6.164 3.195 1.00 1.15 H new ATOM 0 HG23 THR S 109 -1.994 6.368 4.937 1.00 1.15 H new ATOM 1736 N LYS S 110 -5.035 3.929 6.341 1.00 0.61 N ATOM 1737 CA LYS S 110 -5.382 3.293 7.565 1.00 0.61 C ATOM 1738 C LYS S 110 -4.083 3.021 8.315 1.00 0.73 C ATOM 1739 O LYS S 110 -3.507 1.972 8.088 1.00 0.87 O ATOM 1740 CB LYS S 110 -6.035 1.949 7.206 1.00 0.66 C ATOM 1741 CG LYS S 110 -7.229 2.163 6.277 1.00 0.56 C ATOM 1742 CD LYS S 110 -8.320 2.986 6.951 1.00 1.19 C ATOM 1743 CE LYS S 110 -9.620 2.212 7.123 1.00 1.62 C ATOM 1744 NZ LYS S 110 -9.867 1.939 8.537 1.00 2.17 N ATOM 0 H LYS S 110 -4.383 3.355 5.807 1.00 0.61 H new ATOM 0 HA LYS S 110 -6.055 3.901 8.169 1.00 0.61 H new ATOM 0 HB2 LYS S 110 -5.304 1.300 6.724 1.00 0.66 H new ATOM 0 HB3 LYS S 110 -6.360 1.442 8.115 1.00 0.66 H new ATOM 0 HG2 LYS S 110 -6.899 2.668 5.369 1.00 0.56 H new ATOM 0 HG3 LYS S 110 -7.634 1.197 5.975 1.00 0.56 H new ATOM 0 HD2 LYS S 110 -7.968 3.318 7.928 1.00 1.19 H new ATOM 0 HD3 LYS S 110 -8.511 3.882 6.360 1.00 1.19 H new ATOM 0 HE2 LYS S 110 -10.449 2.784 6.706 1.00 1.62 H new ATOM 0 HE3 LYS S 110 -9.569 1.275 6.569 1.00 1.62 H new ATOM 0 HZ1 LYS S 110 -10.757 1.411 8.638 1.00 2.17 H new ATOM 0 HZ2 LYS S 110 -9.084 1.375 8.924 1.00 2.17 H new ATOM 0 HZ3 LYS S 110 -9.937 2.837 9.057 1.00 2.17 H new ATOM 1758 N PRO S 111 -3.706 3.938 9.232 1.00 0.98 N ATOM 1759 CA PRO S 111 -2.530 3.738 10.074 1.00 1.25 C ATOM 1760 C PRO S 111 -2.977 2.620 11.018 1.00 1.13 C ATOM 1761 O PRO S 111 -3.770 2.882 11.926 1.00 1.57 O ATOM 1762 CB PRO S 111 -2.428 5.071 10.844 1.00 1.69 C ATOM 1763 CG PRO S 111 -3.840 5.680 10.832 1.00 1.70 C ATOM 1764 CD PRO S 111 -4.537 5.067 9.627 1.00 1.24 C ATOM 0 HA PRO S 111 -1.589 3.491 9.582 1.00 1.25 H new ATOM 0 HB2 PRO S 111 -2.084 4.906 11.865 1.00 1.69 H new ATOM 0 HB3 PRO S 111 -1.711 5.741 10.370 1.00 1.69 H new ATOM 0 HG2 PRO S 111 -4.374 5.450 11.754 1.00 1.70 H new ATOM 0 HG3 PRO S 111 -3.798 6.766 10.751 1.00 1.70 H new ATOM 0 HD2 PRO S 111 -5.546 4.742 9.880 1.00 1.24 H new ATOM 0 HD3 PRO S 111 -4.629 5.790 8.816 1.00 1.24 H new ATOM 1772 N GLY S 112 -2.582 1.383 10.669 1.00 1.13 N ATOM 1773 CA GLY S 112 -2.794 0.180 11.486 1.00 1.07 C ATOM 1774 C GLY S 112 -4.182 0.007 12.154 1.00 1.08 C ATOM 1775 O GLY S 112 -4.348 -0.756 13.089 1.00 1.37 O ATOM 0 H GLY S 112 -2.097 1.190 9.793 1.00 1.13 H new ATOM 0 HA2 GLY S 112 -2.612 -0.691 10.856 1.00 1.07 H new ATOM 0 HA3 GLY S 112 -2.038 0.169 12.272 1.00 1.07 H new ATOM 1779 N SER S 113 -5.190 0.720 11.601 1.00 1.04 N ATOM 1780 CA SER S 113 -6.382 1.024 12.394 1.00 1.26 C ATOM 1781 C SER S 113 -7.088 -0.197 13.029 1.00 1.30 C ATOM 1782 O SER S 113 -7.382 -0.230 14.215 1.00 1.90 O ATOM 1783 CB SER S 113 -7.360 1.779 11.473 1.00 1.45 C ATOM 1784 OG SER S 113 -8.073 2.848 12.056 1.00 1.86 O ATOM 0 H SER S 113 -5.197 1.079 10.646 1.00 1.04 H new ATOM 0 HA SER S 113 -6.058 1.618 13.248 1.00 1.26 H new ATOM 0 HB2 SER S 113 -6.799 2.166 10.623 1.00 1.45 H new ATOM 0 HB3 SER S 113 -8.081 1.062 11.079 1.00 1.45 H new ATOM 0 HG SER S 113 -8.660 3.255 11.385 1.00 1.86 H new ATOM 1790 N ARG S 114 -7.490 -1.087 12.128 1.00 1.37 N ATOM 1791 CA ARG S 114 -8.103 -2.323 12.565 1.00 1.64 C ATOM 1792 C ARG S 114 -8.099 -3.160 11.327 1.00 1.33 C ATOM 1793 O ARG S 114 -9.029 -3.183 10.521 1.00 1.52 O ATOM 1794 CB ARG S 114 -9.543 -2.186 13.063 1.00 2.23 C ATOM 1795 CG ARG S 114 -10.007 -3.480 13.765 1.00 2.66 C ATOM 1796 CD ARG S 114 -11.509 -3.474 14.077 1.00 2.92 C ATOM 1797 NE ARG S 114 -11.817 -2.178 14.674 1.00 3.41 N ATOM 1798 CZ ARG S 114 -11.592 -1.951 15.991 1.00 3.83 C ATOM 1799 NH1 ARG S 114 -11.957 -2.854 16.898 1.00 3.91 N ATOM 1800 NH2 ARG S 114 -10.998 -0.814 16.342 1.00 4.53 N ATOM 0 H ARG S 114 -7.403 -0.976 11.118 1.00 1.37 H new ATOM 0 HA ARG S 114 -7.558 -2.729 13.417 1.00 1.64 H new ATOM 0 HB2 ARG S 114 -9.615 -1.346 13.754 1.00 2.23 H new ATOM 0 HB3 ARG S 114 -10.203 -1.966 12.224 1.00 2.23 H new ATOM 0 HG2 ARG S 114 -9.774 -4.336 13.132 1.00 2.66 H new ATOM 0 HG3 ARG S 114 -9.447 -3.607 14.692 1.00 2.66 H new ATOM 0 HD2 ARG S 114 -12.092 -3.628 13.169 1.00 2.92 H new ATOM 0 HD3 ARG S 114 -11.764 -4.284 14.761 1.00 2.92 H new ATOM 0 HE ARG S 114 -12.206 -1.435 14.093 1.00 3.41 H new ATOM 0 HH11 ARG S 114 -12.408 -3.720 16.603 1.00 3.91 H new ATOM 0 HH12 ARG S 114 -11.786 -2.680 17.888 1.00 3.91 H new ATOM 0 HH21 ARG S 114 -10.725 -0.140 15.627 1.00 4.53 H new ATOM 0 HH22 ARG S 114 -10.816 -0.616 17.326 1.00 4.53 H new ATOM 1814 N THR S 115 -6.942 -3.744 11.174 1.00 0.99 N ATOM 1815 CA THR S 115 -6.731 -4.636 10.095 1.00 0.85 C ATOM 1816 C THR S 115 -7.086 -6.062 10.539 1.00 0.91 C ATOM 1817 O THR S 115 -7.442 -6.295 11.682 1.00 1.24 O ATOM 1818 CB THR S 115 -5.290 -4.366 9.713 1.00 1.00 C ATOM 1819 OG1 THR S 115 -4.697 -3.281 10.397 1.00 0.93 O ATOM 1820 CG2 THR S 115 -5.317 -3.981 8.267 1.00 1.58 C ATOM 0 H THR S 115 -6.139 -3.611 11.788 1.00 0.99 H new ATOM 0 HA THR S 115 -7.360 -4.503 9.215 1.00 0.85 H new ATOM 0 HB THR S 115 -4.712 -5.258 9.955 1.00 1.00 H new ATOM 0 HG1 THR S 115 -4.137 -2.770 9.776 1.00 0.93 H new ATOM 0 HG21 THR S 115 -4.303 -3.772 7.927 1.00 1.58 H new ATOM 0 HG22 THR S 115 -5.735 -4.799 7.680 1.00 1.58 H new ATOM 0 HG23 THR S 115 -5.933 -3.091 8.139 1.00 1.58 H new ATOM 1828 N HIS S 116 -7.039 -6.960 9.526 1.00 0.86 N ATOM 1829 CA HIS S 116 -7.656 -8.292 9.606 1.00 1.11 C ATOM 1830 C HIS S 116 -7.723 -8.811 8.164 1.00 1.08 C ATOM 1831 O HIS S 116 -8.716 -8.515 7.521 1.00 1.48 O ATOM 1832 CB HIS S 116 -9.141 -8.231 10.162 1.00 1.36 C ATOM 1833 CG HIS S 116 -9.328 -8.907 11.507 1.00 1.73 C ATOM 1834 ND1 HIS S 116 -10.450 -9.468 12.024 1.00 2.25 N ATOM 1835 CD2 HIS S 116 -8.345 -9.042 12.462 1.00 2.23 C ATOM 1836 CE1 HIS S 116 -10.116 -9.926 13.254 1.00 2.65 C ATOM 1837 NE2 HIS S 116 -8.832 -9.676 13.544 1.00 2.63 N ATOM 0 H HIS S 116 -6.573 -6.776 8.637 1.00 0.86 H new ATOM 0 HA HIS S 116 -7.073 -8.923 10.277 1.00 1.11 H new ATOM 0 HB2 HIS S 116 -9.443 -7.187 10.247 1.00 1.36 H new ATOM 0 HB3 HIS S 116 -9.808 -8.698 9.437 1.00 1.36 H new ATOM 0 HD2 HIS S 116 -7.329 -8.690 12.357 1.00 2.23 H new ATOM 0 HE1 HIS S 116 -10.801 -10.431 13.919 1.00 2.65 H new ATOM 0 HE2 HIS S 116 -8.332 -9.915 14.400 1.00 2.63 H new ATOM 1845 N PHE S 117 -6.640 -9.486 7.673 1.00 0.91 N ATOM 1846 CA PHE S 117 -6.634 -10.312 6.430 1.00 0.95 C ATOM 1847 C PHE S 117 -8.078 -10.451 5.771 1.00 0.85 C ATOM 1848 O PHE S 117 -8.994 -11.031 6.339 1.00 1.01 O ATOM 1849 CB PHE S 117 -5.857 -11.619 6.694 1.00 1.25 C ATOM 1850 CG PHE S 117 -6.403 -12.338 7.887 1.00 1.81 C ATOM 1851 CD1 PHE S 117 -7.568 -13.076 7.749 1.00 2.56 C ATOM 1852 CD2 PHE S 117 -5.795 -12.238 9.136 1.00 2.62 C ATOM 1853 CE1 PHE S 117 -8.172 -13.653 8.850 1.00 3.57 C ATOM 1854 CE2 PHE S 117 -6.391 -12.827 10.242 1.00 3.64 C ATOM 1855 CZ PHE S 117 -7.588 -13.517 10.100 1.00 3.97 C ATOM 0 H PHE S 117 -5.733 -9.469 8.140 1.00 0.91 H new ATOM 0 HA PHE S 117 -6.088 -9.801 5.637 1.00 0.95 H new ATOM 0 HB2 PHE S 117 -5.916 -12.265 5.818 1.00 1.25 H new ATOM 0 HB3 PHE S 117 -4.802 -11.393 6.853 1.00 1.25 H new ATOM 0 HD1 PHE S 117 -8.008 -13.201 6.771 1.00 2.56 H new ATOM 0 HD2 PHE S 117 -4.863 -11.704 9.243 1.00 2.62 H new ATOM 0 HE1 PHE S 117 -9.093 -14.206 8.737 1.00 3.57 H new ATOM 0 HE2 PHE S 117 -5.924 -12.749 11.213 1.00 3.64 H new ATOM 0 HZ PHE S 117 -8.066 -13.949 10.967 1.00 3.97 H new ATOM 1865 N GLY S 118 -8.289 -9.833 4.580 1.00 0.83 N ATOM 1866 CA GLY S 118 -9.650 -9.825 3.998 1.00 0.96 C ATOM 1867 C GLY S 118 -10.393 -8.464 4.084 1.00 0.90 C ATOM 1868 O GLY S 118 -11.148 -8.082 3.202 1.00 1.19 O ATOM 0 H GLY S 118 -7.573 -9.358 4.030 1.00 0.83 H new ATOM 0 HA2 GLY S 118 -9.583 -10.119 2.951 1.00 0.96 H new ATOM 0 HA3 GLY S 118 -10.250 -10.582 4.504 1.00 0.96 H new ATOM 1872 N GLN S 119 -10.146 -7.731 5.192 1.00 0.70 N ATOM 1873 CA GLN S 119 -10.603 -6.344 5.325 1.00 0.65 C ATOM 1874 C GLN S 119 -10.314 -5.524 4.068 1.00 0.60 C ATOM 1875 O GLN S 119 -9.387 -5.725 3.305 1.00 0.60 O ATOM 1876 CB GLN S 119 -9.951 -5.600 6.522 1.00 0.69 C ATOM 1877 CG GLN S 119 -10.700 -5.819 7.839 1.00 1.00 C ATOM 1878 CD GLN S 119 -11.701 -4.691 8.129 1.00 1.13 C ATOM 1879 OE1 GLN S 119 -11.568 -3.542 7.707 1.00 1.72 O ATOM 1880 NE2 GLN S 119 -12.748 -5.091 8.862 1.00 1.62 N ATOM 0 H GLN S 119 -9.634 -8.082 6.001 1.00 0.70 H new ATOM 0 HA GLN S 119 -11.677 -6.425 5.491 1.00 0.65 H new ATOM 0 HB2 GLN S 119 -8.921 -5.937 6.635 1.00 0.69 H new ATOM 0 HB3 GLN S 119 -9.915 -4.533 6.304 1.00 0.69 H new ATOM 0 HG2 GLN S 119 -11.229 -6.771 7.801 1.00 1.00 H new ATOM 0 HG3 GLN S 119 -9.983 -5.885 8.657 1.00 1.00 H new ATOM 0 HE21 GLN S 119 -12.805 -6.057 9.185 1.00 1.62 H new ATOM 0 HE22 GLN S 119 -13.488 -4.430 9.097 1.00 1.62 H new ATOM 1889 N LYS S 120 -11.153 -4.498 3.939 1.00 0.62 N ATOM 1890 CA LYS S 120 -10.919 -3.609 2.820 1.00 0.65 C ATOM 1891 C LYS S 120 -9.636 -2.855 2.952 1.00 0.62 C ATOM 1892 O LYS S 120 -9.017 -2.585 1.951 1.00 0.66 O ATOM 1893 CB LYS S 120 -12.031 -2.580 2.727 1.00 0.75 C ATOM 1894 CG LYS S 120 -13.005 -2.984 1.648 1.00 0.79 C ATOM 1895 CD LYS S 120 -14.451 -2.580 1.890 1.00 0.97 C ATOM 1896 CE LYS S 120 -15.369 -3.791 1.711 1.00 1.24 C ATOM 1897 NZ LYS S 120 -16.723 -3.405 1.323 1.00 1.54 N ATOM 0 H LYS S 120 -11.941 -4.276 4.547 1.00 0.62 H new ATOM 0 HA LYS S 120 -10.880 -4.240 1.932 1.00 0.65 H new ATOM 0 HB2 LYS S 120 -12.546 -2.499 3.684 1.00 0.75 H new ATOM 0 HB3 LYS S 120 -11.614 -1.598 2.505 1.00 0.75 H new ATOM 0 HG2 LYS S 120 -12.677 -2.548 0.704 1.00 0.79 H new ATOM 0 HG3 LYS S 120 -12.963 -4.067 1.531 1.00 0.79 H new ATOM 0 HD2 LYS S 120 -14.561 -2.176 2.896 1.00 0.97 H new ATOM 0 HD3 LYS S 120 -14.738 -1.790 1.196 1.00 0.97 H new ATOM 0 HE2 LYS S 120 -14.951 -4.453 0.953 1.00 1.24 H new ATOM 0 HE3 LYS S 120 -15.407 -4.357 2.642 1.00 1.24 H new ATOM 0 HZ1 LYS S 120 -17.309 -4.257 1.213 1.00 1.54 H new ATOM 0 HZ2 LYS S 120 -17.134 -2.795 2.058 1.00 1.54 H new ATOM 0 HZ3 LYS S 120 -16.692 -2.888 0.421 1.00 1.54 H new ATOM 1911 N ALA S 121 -9.302 -2.486 4.219 1.00 0.59 N ATOM 1912 CA ALA S 121 -8.085 -1.716 4.450 1.00 0.61 C ATOM 1913 C ALA S 121 -6.993 -2.351 3.634 1.00 0.64 C ATOM 1914 O ALA S 121 -6.541 -1.793 2.665 1.00 1.06 O ATOM 1915 CB ALA S 121 -7.739 -1.676 5.953 1.00 0.62 C ATOM 0 H ALA S 121 -9.844 -2.706 5.054 1.00 0.59 H new ATOM 0 HA ALA S 121 -8.215 -0.678 4.143 1.00 0.61 H new ATOM 0 HB1 ALA S 121 -6.828 -1.096 6.101 1.00 0.62 H new ATOM 0 HB2 ALA S 121 -8.558 -1.212 6.503 1.00 0.62 H new ATOM 0 HB3 ALA S 121 -7.587 -2.692 6.318 1.00 0.62 H new ATOM 1921 N ILE S 122 -6.685 -3.554 4.076 1.00 0.61 N ATOM 1922 CA ILE S 122 -5.703 -4.382 3.408 1.00 0.65 C ATOM 1923 C ILE S 122 -5.899 -4.347 1.930 1.00 0.61 C ATOM 1924 O ILE S 122 -5.174 -3.696 1.217 1.00 0.81 O ATOM 1925 CB ILE S 122 -5.681 -5.695 4.160 1.00 0.77 C ATOM 1926 CG1 ILE S 122 -7.032 -6.351 4.430 1.00 1.01 C ATOM 1927 CG2 ILE S 122 -5.207 -5.281 5.507 1.00 1.05 C ATOM 1928 CD1 ILE S 122 -6.935 -7.365 5.531 1.00 1.14 C ATOM 0 H ILE S 122 -7.105 -3.982 4.901 1.00 0.61 H new ATOM 0 HA ILE S 122 -4.673 -4.029 3.450 1.00 0.65 H new ATOM 0 HB ILE S 122 -5.101 -6.409 3.575 1.00 0.77 H new ATOM 0 HG12 ILE S 122 -7.762 -5.588 4.699 1.00 1.01 H new ATOM 0 HG13 ILE S 122 -7.394 -6.832 3.521 1.00 1.01 H new ATOM 0 HG21 ILE S 122 -5.147 -6.155 6.156 1.00 1.05 H new ATOM 0 HG22 ILE S 122 -4.221 -4.824 5.421 1.00 1.05 H new ATOM 0 HG23 ILE S 122 -5.905 -4.560 5.933 1.00 1.05 H new ATOM 0 HD11 ILE S 122 -7.914 -7.814 5.699 1.00 1.14 H new ATOM 0 HD12 ILE S 122 -6.223 -8.141 5.249 1.00 1.14 H new ATOM 0 HD13 ILE S 122 -6.597 -6.878 6.446 1.00 1.14 H new ATOM 1940 N LEU S 123 -6.939 -5.045 1.518 1.00 0.46 N ATOM 1941 CA LEU S 123 -7.170 -5.190 0.089 1.00 0.43 C ATOM 1942 C LEU S 123 -7.057 -3.873 -0.708 1.00 0.41 C ATOM 1943 O LEU S 123 -7.747 -2.885 -0.424 1.00 0.59 O ATOM 1944 CB LEU S 123 -8.577 -5.741 0.024 1.00 0.52 C ATOM 1945 CG LEU S 123 -8.548 -7.271 0.098 1.00 0.57 C ATOM 1946 CD1 LEU S 123 -9.857 -7.798 0.673 1.00 1.46 C ATOM 1947 CD2 LEU S 123 -8.226 -7.921 -1.256 1.00 1.50 C ATOM 0 H LEU S 123 -7.617 -5.507 2.124 1.00 0.46 H new ATOM 0 HA LEU S 123 -6.414 -5.827 -0.369 1.00 0.43 H new ATOM 0 HB2 LEU S 123 -9.171 -5.341 0.846 1.00 0.52 H new ATOM 0 HB3 LEU S 123 -9.058 -5.423 -0.901 1.00 0.52 H new ATOM 0 HG LEU S 123 -7.736 -7.550 0.769 1.00 0.57 H new ATOM 0 HD11 LEU S 123 -9.822 -8.886 0.720 1.00 1.46 H new ATOM 0 HD12 LEU S 123 -10.002 -7.396 1.676 1.00 1.46 H new ATOM 0 HD13 LEU S 123 -10.685 -7.489 0.035 1.00 1.46 H new ATOM 0 HD21 LEU S 123 -8.218 -9.005 -1.146 1.00 1.50 H new ATOM 0 HD22 LEU S 123 -8.983 -7.636 -1.986 1.00 1.50 H new ATOM 0 HD23 LEU S 123 -7.247 -7.584 -1.598 1.00 1.50 H new ATOM 1959 N PHE S 124 -6.151 -3.940 -1.694 1.00 0.29 N ATOM 1960 CA PHE S 124 -5.794 -2.804 -2.511 1.00 0.30 C ATOM 1961 C PHE S 124 -5.759 -3.172 -3.971 1.00 0.31 C ATOM 1962 O PHE S 124 -5.322 -4.235 -4.369 1.00 0.34 O ATOM 1963 CB PHE S 124 -4.374 -2.322 -2.210 1.00 0.34 C ATOM 1964 CG PHE S 124 -4.210 -1.454 -1.006 1.00 0.30 C ATOM 1965 CD1 PHE S 124 -5.283 -0.999 -0.280 1.00 1.27 C ATOM 1966 CD2 PHE S 124 -2.956 -1.073 -0.586 1.00 1.26 C ATOM 1967 CE1 PHE S 124 -5.100 -0.215 0.822 1.00 1.39 C ATOM 1968 CE2 PHE S 124 -2.777 -0.270 0.497 1.00 1.33 C ATOM 1969 CZ PHE S 124 -3.846 0.176 1.216 1.00 0.77 C ATOM 0 H PHE S 124 -5.651 -4.795 -1.937 1.00 0.29 H new ATOM 0 HA PHE S 124 -6.543 -2.043 -2.291 1.00 0.30 H new ATOM 0 HB2 PHE S 124 -3.734 -3.196 -2.091 1.00 0.34 H new ATOM 0 HB3 PHE S 124 -4.007 -1.775 -3.078 1.00 0.34 H new ATOM 0 HD1 PHE S 124 -6.284 -1.265 -0.585 1.00 1.27 H new ATOM 0 HD2 PHE S 124 -2.091 -1.421 -1.131 1.00 1.26 H new ATOM 0 HE1 PHE S 124 -5.959 0.103 1.394 1.00 1.39 H new ATOM 0 HE2 PHE S 124 -1.778 0.017 0.790 1.00 1.33 H new ATOM 0 HZ PHE S 124 -3.709 0.820 2.072 1.00 0.77 H new ATOM 1979 N LEU S 125 -6.243 -2.193 -4.741 1.00 0.34 N ATOM 1980 CA LEU S 125 -6.463 -2.311 -6.173 1.00 0.35 C ATOM 1981 C LEU S 125 -5.229 -1.763 -6.966 1.00 0.33 C ATOM 1982 O LEU S 125 -4.974 -0.561 -7.047 1.00 0.33 O ATOM 1983 CB LEU S 125 -7.781 -1.578 -6.453 1.00 0.37 C ATOM 1984 CG LEU S 125 -9.039 -2.416 -6.746 1.00 1.28 C ATOM 1985 CD1 LEU S 125 -10.086 -2.310 -5.607 1.00 1.95 C ATOM 1986 CD2 LEU S 125 -9.644 -2.043 -8.114 1.00 1.98 C ATOM 0 H LEU S 125 -6.497 -1.277 -4.370 1.00 0.34 H new ATOM 0 HA LEU S 125 -6.554 -3.344 -6.509 1.00 0.35 H new ATOM 0 HB2 LEU S 125 -7.997 -0.945 -5.593 1.00 0.37 H new ATOM 0 HB3 LEU S 125 -7.618 -0.916 -7.303 1.00 0.37 H new ATOM 0 HG LEU S 125 -8.733 -3.461 -6.792 1.00 1.28 H new ATOM 0 HD11 LEU S 125 -10.957 -2.917 -5.856 1.00 1.95 H new ATOM 0 HD12 LEU S 125 -9.648 -2.669 -4.676 1.00 1.95 H new ATOM 0 HD13 LEU S 125 -10.390 -1.270 -5.488 1.00 1.95 H new ATOM 0 HD21 LEU S 125 -10.531 -2.649 -8.297 1.00 1.98 H new ATOM 0 HD22 LEU S 125 -9.919 -0.988 -8.115 1.00 1.98 H new ATOM 0 HD23 LEU S 125 -8.910 -2.228 -8.899 1.00 1.98 H new ATOM 1998 N PRO S 126 -4.422 -2.677 -7.541 1.00 0.35 N ATOM 1999 CA PRO S 126 -3.243 -2.321 -8.309 1.00 0.35 C ATOM 2000 C PRO S 126 -3.660 -1.906 -9.725 1.00 0.32 C ATOM 2001 O PRO S 126 -4.550 -2.482 -10.327 1.00 0.38 O ATOM 2002 CB PRO S 126 -2.446 -3.626 -8.376 1.00 0.41 C ATOM 2003 CG PRO S 126 -3.488 -4.738 -8.238 1.00 0.45 C ATOM 2004 CD PRO S 126 -4.639 -4.111 -7.477 1.00 0.41 C ATOM 0 HA PRO S 126 -2.681 -1.496 -7.872 1.00 0.35 H new ATOM 0 HB2 PRO S 126 -1.904 -3.709 -9.318 1.00 0.41 H new ATOM 0 HB3 PRO S 126 -1.706 -3.678 -7.577 1.00 0.41 H new ATOM 0 HG2 PRO S 126 -3.811 -5.098 -9.215 1.00 0.45 H new ATOM 0 HG3 PRO S 126 -3.081 -5.595 -7.701 1.00 0.45 H new ATOM 0 HD2 PRO S 126 -5.596 -4.382 -7.923 1.00 0.41 H new ATOM 0 HD3 PRO S 126 -4.659 -4.458 -6.444 1.00 0.41 H new ATOM 2012 N LEU S 127 -2.965 -0.886 -10.246 1.00 0.34 N ATOM 2013 CA LEU S 127 -3.414 -0.316 -11.502 1.00 0.36 C ATOM 2014 C LEU S 127 -2.227 0.089 -12.341 1.00 0.41 C ATOM 2015 O LEU S 127 -1.262 0.629 -11.823 1.00 0.41 O ATOM 2016 CB LEU S 127 -4.237 0.931 -11.262 1.00 0.41 C ATOM 2017 CG LEU S 127 -3.586 1.990 -10.374 1.00 0.41 C ATOM 2018 CD1 LEU S 127 -4.384 3.238 -10.636 1.00 0.48 C ATOM 2019 CD2 LEU S 127 -3.662 1.627 -8.894 1.00 0.49 C ATOM 0 H LEU S 127 -2.133 -0.463 -9.836 1.00 0.34 H new ATOM 0 HA LEU S 127 -4.012 -1.073 -12.009 1.00 0.36 H new ATOM 0 HB2 LEU S 127 -4.468 1.383 -12.226 1.00 0.41 H new ATOM 0 HB3 LEU S 127 -5.185 0.638 -10.812 1.00 0.41 H new ATOM 0 HG LEU S 127 -2.525 2.097 -10.600 1.00 0.41 H new ATOM 0 HD11 LEU S 127 -3.986 4.057 -10.037 1.00 0.48 H new ATOM 0 HD12 LEU S 127 -4.319 3.496 -11.693 1.00 0.48 H new ATOM 0 HD13 LEU S 127 -5.426 3.066 -10.368 1.00 0.48 H new ATOM 0 HD21 LEU S 127 -3.186 2.409 -8.303 1.00 0.49 H new ATOM 0 HD22 LEU S 127 -4.706 1.531 -8.596 1.00 0.49 H new ATOM 0 HD23 LEU S 127 -3.148 0.681 -8.725 1.00 0.49 H new ATOM 2031 N PRO S 128 -2.319 -0.131 -13.660 1.00 0.49 N ATOM 2032 CA PRO S 128 -1.178 0.102 -14.510 1.00 0.58 C ATOM 2033 C PRO S 128 -0.844 1.567 -14.749 1.00 0.68 C ATOM 2034 O PRO S 128 -0.030 1.780 -15.624 1.00 1.15 O ATOM 2035 CB PRO S 128 -1.560 -0.559 -15.836 1.00 0.68 C ATOM 2036 CG PRO S 128 -3.091 -0.552 -15.849 1.00 0.66 C ATOM 2037 CD PRO S 128 -3.519 -0.535 -14.381 1.00 0.52 C ATOM 0 HA PRO S 128 -0.282 -0.301 -14.037 1.00 0.58 H new ATOM 0 HB2 PRO S 128 -1.155 -0.007 -16.684 1.00 0.68 H new ATOM 0 HB3 PRO S 128 -1.168 -1.574 -15.899 1.00 0.68 H new ATOM 0 HG2 PRO S 128 -3.474 0.321 -16.378 1.00 0.66 H new ATOM 0 HG3 PRO S 128 -3.482 -1.432 -16.360 1.00 0.66 H new ATOM 0 HD2 PRO S 128 -4.338 0.165 -14.214 1.00 0.52 H new ATOM 0 HD3 PRO S 128 -3.866 -1.516 -14.057 1.00 0.52 H new ATOM 2045 N VAL S 129 -1.468 2.543 -14.010 1.00 0.56 N ATOM 2046 CA VAL S 129 -1.232 3.998 -14.161 1.00 0.60 C ATOM 2047 C VAL S 129 -0.058 4.262 -15.090 1.00 0.67 C ATOM 2048 O VAL S 129 -0.244 4.473 -16.261 1.00 0.86 O ATOM 2049 CB VAL S 129 -1.141 4.759 -12.804 1.00 0.69 C ATOM 2050 CG1 VAL S 129 -0.153 5.953 -12.788 1.00 0.68 C ATOM 2051 CG2 VAL S 129 -2.516 5.321 -12.441 1.00 0.98 C ATOM 0 H VAL S 129 -2.155 2.325 -13.288 1.00 0.56 H new ATOM 0 HA VAL S 129 -2.117 4.420 -14.638 1.00 0.60 H new ATOM 0 HB VAL S 129 -0.776 4.018 -12.093 1.00 0.69 H new ATOM 0 HG11 VAL S 129 -0.160 6.418 -11.802 1.00 0.68 H new ATOM 0 HG12 VAL S 129 0.852 5.597 -13.014 1.00 0.68 H new ATOM 0 HG13 VAL S 129 -0.455 6.685 -13.537 1.00 0.68 H new ATOM 0 HG21 VAL S 129 -2.453 5.853 -11.492 1.00 0.98 H new ATOM 0 HG22 VAL S 129 -2.846 6.008 -13.221 1.00 0.98 H new ATOM 0 HG23 VAL S 129 -3.231 4.503 -12.351 1.00 0.98 H new ATOM 2061 N SER S 130 1.142 4.081 -14.530 1.00 0.74 N ATOM 2062 CA SER S 130 2.341 4.280 -15.321 1.00 1.01 C ATOM 2063 C SER S 130 2.349 5.618 -16.056 1.00 1.74 C ATOM 2064 O SER S 130 2.867 6.582 -15.529 1.00 2.54 O ATOM 2065 CB SER S 130 2.683 3.025 -16.151 1.00 1.44 C ATOM 2066 OG SER S 130 2.996 3.116 -17.528 1.00 2.05 O ATOM 0 H SER S 130 1.299 3.805 -13.561 1.00 0.74 H new ATOM 0 HA SER S 130 3.192 4.385 -14.649 1.00 1.01 H new ATOM 0 HB2 SER S 130 3.531 2.543 -15.664 1.00 1.44 H new ATOM 0 HB3 SER S 130 1.836 2.345 -16.062 1.00 1.44 H new ATOM 0 HG SER S 130 2.459 2.467 -18.029 1.00 2.05 H new ATOM 2072 N SER S 131 1.835 5.539 -17.282 1.00 2.31 N ATOM 2073 CA SER S 131 1.685 6.609 -18.233 1.00 3.41 C ATOM 2074 C SER S 131 0.444 6.178 -19.037 1.00 3.75 C ATOM 2075 O SER S 131 -0.608 5.984 -18.445 1.00 4.42 O ATOM 2076 CB SER S 131 2.992 6.732 -19.024 1.00 4.24 C ATOM 2077 OG SER S 131 2.962 7.792 -19.937 1.00 5.18 O ATOM 0 H SER S 131 1.490 4.653 -17.652 1.00 2.31 H new ATOM 0 HA SER S 131 1.524 7.610 -17.832 1.00 3.41 H new ATOM 0 HB2 SER S 131 3.821 6.875 -18.331 1.00 4.24 H new ATOM 0 HB3 SER S 131 3.180 5.801 -19.558 1.00 4.24 H new ATOM 0 HG SER S 131 3.815 7.834 -20.417 1.00 5.18 H new ATOM 2083 N ASP S 132 0.671 5.950 -20.333 1.00 3.85 N ATOM 2084 CA ASP S 132 -0.361 5.515 -21.252 1.00 4.68 C ATOM 2085 C ASP S 132 -0.160 3.972 -21.398 1.00 4.93 C ATOM 2086 O ASP S 132 0.915 3.547 -21.825 1.00 5.43 O ATOM 2087 CB ASP S 132 -0.150 6.360 -22.537 1.00 5.26 C ATOM 2088 CG ASP S 132 -1.090 7.584 -22.679 1.00 6.15 C ATOM 2089 OD1 ASP S 132 -2.071 7.740 -21.941 1.00 6.50 O ATOM 2090 OD2 ASP S 132 -0.820 8.401 -23.555 1.00 6.73 O ATOM 2091 OXT ASP S 132 -1.036 3.187 -21.016 1.00 5.01 O ATOM 0 H ASP S 132 1.586 6.066 -20.769 1.00 3.85 H new ATOM 0 HA ASP S 132 -1.397 5.666 -20.948 1.00 4.68 H new ATOM 0 HB2 ASP S 132 0.882 6.709 -22.558 1.00 5.26 H new ATOM 0 HB3 ASP S 132 -0.286 5.714 -23.405 1.00 5.26 H new TER 2096 ASP S 132 END