USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER RECEPTOR 02-JUL-98 1BJ8 TITLE THIRD N-TERMINAL DOMAIN OF GP130, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: GP130; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: THIRD N-TERMINAL DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 KEYWDS RECEPTOR, SIGNAL TRANSDUCER OF IL-6 TYPE CYTOKINES, THIRD N- KEYWDS 2 TERMINAL DOMAIN, TRANSMEMBRANE, GLYCOPROTEIN EXPDTA SOLUTION NMR AUTHOR T.KERNEBECK,S.PFLANZ,G.MULLER-NEWEN,G.KURAPKAT,R.M.SCHEEK, AUTHOR 2 K.DIJKSTRA,P.C.HEINRICH,A.WOLLMER,S.GRZESIEK,J.GROTZINGER REVDAT 2 24-FEB-09 1BJ8 1 VERSN REVDAT 1 13-JAN-99 1BJ8 0 JRNL AUTH T.KERNEBECK,S.PFLANZ,G.MULLER-NEWEN,G.KURAPKAT, JRNL AUTH 2 R.M.SCHEEK,K.DIJKSTRA,P.C.HEINRICH,A.WOLLMER, JRNL AUTH 3 S.GRZESIEK,J.GROTZINGER JRNL TITL THE SIGNAL TRANSDUCER GP130: SOLUTION STRUCTURE OF JRNL TITL 2 THE CARBOXY-TERMINAL DOMAIN OF THE CYTOKINE JRNL TITL 3 RECEPTOR HOMOLOGY REGION. JRNL REF PROTEIN SCI. V. 8 5 1999 JRNL REFN ISSN 0961-8368 JRNL PMID 10210178 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.MULLER-NEWEN,S.PFLANZ,U.HASSIEPEN,J.STAHL, REMARK 1 AUTH 2 A.WOLLMER,P.C.HEINRICH,J.GROTZINGER REMARK 1 TITL THE SIGNAL TRANSDUCER GP130--BACTERIAL EXPRESSION, REMARK 1 TITL 2 REFOLDING AND PROPERTIES OF THE CARBOXY-TERMINAL REMARK 1 TITL 3 DOMAIN OF THE CYTOKINE-BINDING MODULE REMARK 1 REF EUR.J.BIOCHEM. V. 247 425 1997 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DDD REMARK 3 AUTHORS : SCHEEK REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE FINAL 22 STRUCTURES WERE REMARK 3 CALCULATED USING A TOTAL OF 1575 RESTRAINTS. DISTANCE BOUND REMARK 3 DRIVEN DYNAMICS WAS DONE FOR 1000 STEPS AT 1000 KELVIN, REMARK 3 FOLLOWED BY 1000 STEPS OF SIMULATED ANNEALING TO 10 KELVIN. REMARK 3 THE MEAN STRUCTURE WAS ENERGY MINIMIZED USING THE GROMOS REMARK 3 PROGRAMM PACKAGE. REMARK 4 REMARK 4 1BJ8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 200 MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : WATER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : CBCA(CO)NH, CBCANH, C(CO)NH, REMARK 210 HNCA, HBHA(CO)NH, 15N-EDITED REMARK 210 HOHAHA, 13C-EDITED TOCSY, 15N- REMARK 210 EDITED NOESY, 13C-EDITED REMARK 210 NOESY, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY500, INOVA600, DMX600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DDD REMARK 210 METHOD USED : DISTANCE GEOMETRY, RESTRAINED REMARK 210 MOLECULAR DYNAMICS, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 22 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C, 15N-LABELED PROTEIN 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 ARG A 46 NE - CZ - NH1 ANGL. DEV. = 3.9 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 ASP A 2 -103.41 -125.41 REMARK 500 LYS A 3 -169.79 -129.49 REMARK 500 ASN A 7 138.21 3.95 REMARK 500 HIS A 10 -174.33 -68.42 REMARK 500 GLU A 18 -79.17 31.31 REMARK 500 ASN A 30 150.66 -49.08 REMARK 500 SER A 32 -35.57 175.81 REMARK 500 ILE A 33 137.23 -37.20 REMARK 500 LYS A 34 -144.26 -98.31 REMARK 500 SER A 35 38.97 -75.50 REMARK 500 ILE A 37 103.69 49.06 REMARK 500 SER A 54 -152.51 -96.90 REMARK 500 PRO A 58 77.21 -67.81 REMARK 500 GLU A 59 -63.51 -120.28 REMARK 500 THR A 61 43.13 -88.18 REMARK 500 SER A 63 81.72 -164.61 REMARK 500 THR A 64 97.88 36.63 REMARK 500 SER A 66 -14.21 61.12 REMARK 500 ASP A 72 50.03 71.85 REMARK 500 PHE A 76 -11.00 62.31 REMARK 500 GLU A 88 129.67 -28.24 REMARK 500 ASP A 89 -157.07 119.76 REMARK 500 TRP A 94 135.44 -39.78 REMARK 500 TRP A 97 128.23 -5.39 REMARK 500 GLU A 99 177.44 170.19 REMARK 500 TYR A 106 -124.53 33.49 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 TYR A 41 0.11 SIDE_CHAIN REMARK 500 TYR A 79 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1BJ8 A 3 109 UNP P40189 IL6RB_HUMAN 219 325 SEQRES 1 A 109 MET ASP LYS VAL LYS PRO ASN PRO PRO HIS ASN LEU SER SEQRES 2 A 109 VAL ILE ASN SER GLU GLU LEU SER SER ILE LEU LYS LEU SEQRES 3 A 109 THR TRP THR ASN PRO SER ILE LYS SER VAL ILE ILE LEU SEQRES 4 A 109 LYS TYR ASN ILE GLN TYR ARG THR LYS ASP ALA SER THR SEQRES 5 A 109 TRP SER GLN ILE PRO PRO GLU ASP THR ALA SER THR ARG SEQRES 6 A 109 SER SER PHE THR VAL GLN ASP LEU LYS PRO PHE THR GLU SEQRES 7 A 109 TYR VAL PHE ARG ILE ARG CYS MET LYS GLU ASP GLY LYS SEQRES 8 A 109 GLY TYR TRP SER ASP TRP SER GLU GLU ALA SER GLY ILE SEQRES 9 A 109 THR TYR GLU ASP ARG HELIX 1 1 ASP A 60 ALA A 62 5 3 SHEET 1 A 2 LEU A 24 THR A 27 0 SHEET 2 A 2 SER A 67 VAL A 70 -1 N VAL A 70 O LEU A 24 SHEET 1 B 3 LEU A 39 THR A 47 0 SHEET 2 B 3 GLU A 78 LYS A 87 -1 N MET A 86 O LYS A 40 SHEET 3 B 3 GLU A 99 ILE A 104 -1 N GLY A 103 O TYR A 79 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: A 85 CYS SG : rot 23:sc= -1.7! USER MOD Set 1.2: A 95 SER OG : rot -82:sc= 0.216 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 54 SER OG : rot -125:sc= 1.07 USER MOD Set 3.1: A 42 ASN : amide:sc= 0.392 K(o=1.3,f=0.48) USER MOD Set 3.2: A 44 GLN : amide:sc= 0.911 K(o=1.3,f=-0.065) USER MOD Set 4.1: A 10 HIS : no HE2:sc= -0.326 K(o=-1.5,f=-3.5!) USER MOD Set 4.2: A 11 ASN : amide:sc= -1.1 K(o=-1.5,f=-0.32) USER MOD Set 4.3: A 29 THR OG1 : rot -160:sc= -0.0669 USER MOD Set 5.1: A 3 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 5.2: A 5 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.122) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0784 (180deg=-0.24) USER MOD Single : A 7 ASN : amide:sc= -0.0743 X(o=-0.074,f=-0.31) USER MOD Single : A 13 SER OG : rot 170:sc= -0.166 USER MOD Single : A 16 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.66) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -172:sc= 0.271 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0.11 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0541) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 63 SER OG : rot 180:sc= -0.159 USER MOD Single : A 64 THR OG1 : rot 164:sc= 0.537 USER MOD Single : A 66 SER OG : rot -4:sc= 0.247 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0668) USER MOD Single : A 77 THR OG1 : rot -170:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc=0.000309 USER MOD Single : A 86 MET CE :methyl -174:sc= -0.0402 (180deg=-0.113) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 143:sc= 1.21 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 162:sc= 1.43 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.830 32.280 4.300 1.00 12.00 N ATOM 2 CA MET A 1 -3.200 31.710 4.390 1.00 12.00 C ATOM 3 C MET A 1 -3.360 30.530 5.380 1.00 12.00 C ATOM 4 O MET A 1 -4.470 30.180 5.790 1.00 12.00 O ATOM 5 CB MET A 1 -3.670 31.220 3.010 1.00 12.00 C ATOM 6 CG MET A 1 -3.470 32.220 1.860 1.00 12.00 C ATOM 7 SD MET A 1 -4.240 33.860 2.120 1.00 12.00 S ATOM 8 CE MET A 1 -3.500 34.740 0.770 1.00 12.00 C ATOM 0 H1 MET A 1 -1.854 33.153 3.735 1.00 12.00 H new ATOM 0 H2 MET A 1 -1.480 32.496 5.255 1.00 12.00 H new ATOM 0 H3 MET A 1 -1.196 31.591 3.847 1.00 12.00 H new ATOM 0 HA MET A 1 -3.806 32.534 4.767 1.00 12.00 H new ATOM 0 HB2 MET A 1 -3.138 30.300 2.768 1.00 12.00 H new ATOM 0 HB3 MET A 1 -4.729 30.969 3.072 1.00 12.00 H new ATOM 0 HG2 MET A 1 -2.401 32.358 1.700 1.00 12.00 H new ATOM 0 HG3 MET A 1 -3.875 31.786 0.946 1.00 12.00 H new ATOM 0 HE1 MET A 1 -3.856 35.770 0.768 1.00 12.00 H new ATOM 0 HE2 MET A 1 -2.416 34.731 0.881 1.00 12.00 H new ATOM 0 HE3 MET A 1 -3.773 34.260 -0.170 1.00 12.00 H new ATOM 9 N ASP A 2 -2.230 29.940 5.730 1.00 12.00 N ATOM 10 CA ASP A 2 -2.150 28.700 6.540 1.00 12.00 C ATOM 11 C ASP A 2 -1.270 28.830 7.800 1.00 12.00 C ATOM 12 O ASP A 2 -1.670 29.510 8.740 1.00 12.00 O ATOM 13 CB ASP A 2 -1.740 27.550 5.610 1.00 12.00 C ATOM 14 CG ASP A 2 -2.850 27.120 4.640 1.00 12.00 C ATOM 15 OD1 ASP A 2 -3.000 27.810 3.600 1.00 12.00 O ATOM 16 OD2 ASP A 2 -3.400 26.030 4.880 1.00 12.00 O ATOM 0 H ASP A 2 -1.315 30.303 5.462 1.00 12.00 H new ATOM 0 HA ASP A 2 -3.133 28.486 6.960 1.00 12.00 H new ATOM 0 HB2 ASP A 2 -0.864 27.852 5.036 1.00 12.00 H new ATOM 0 HB3 ASP A 2 -1.445 26.692 6.214 1.00 12.00 H new ATOM 17 N LYS A 3 -0.060 28.290 7.770 1.00 12.00 N ATOM 18 CA LYS A 3 0.840 28.180 8.950 1.00 12.00 C ATOM 19 C LYS A 3 2.240 28.730 8.610 1.00 12.00 C ATOM 20 O LYS A 3 2.450 29.320 7.550 1.00 12.00 O ATOM 21 CB LYS A 3 0.980 26.720 9.450 1.00 12.00 C ATOM 22 CG LYS A 3 -0.180 25.740 9.200 1.00 12.00 C ATOM 23 CD LYS A 3 0.000 25.060 7.840 1.00 12.00 C ATOM 24 CE LYS A 3 -1.160 24.130 7.510 1.00 12.00 C ATOM 25 NZ LYS A 3 -0.980 23.600 6.160 1.00 12.00 N ATOM 0 H LYS A 3 0.348 27.904 6.918 1.00 12.00 H new ATOM 0 HA LYS A 3 0.386 28.770 9.746 1.00 12.00 H new ATOM 0 HB2 LYS A 3 1.874 26.298 8.992 1.00 12.00 H new ATOM 0 HB3 LYS A 3 1.158 26.754 10.525 1.00 12.00 H new ATOM 0 HG2 LYS A 3 -0.212 24.990 9.990 1.00 12.00 H new ATOM 0 HG3 LYS A 3 -1.131 26.273 9.228 1.00 12.00 H new ATOM 0 HD2 LYS A 3 0.088 25.820 7.063 1.00 12.00 H new ATOM 0 HD3 LYS A 3 0.931 24.493 7.838 1.00 12.00 H new ATOM 0 HE2 LYS A 3 -1.204 23.314 8.231 1.00 12.00 H new ATOM 0 HE3 LYS A 3 -2.105 24.669 7.579 1.00 12.00 H new ATOM 0 HZ1 LYS A 3 -1.872 23.177 5.831 1.00 12.00 H new ATOM 0 HZ2 LYS A 3 -0.705 24.371 5.518 1.00 12.00 H new ATOM 0 HZ3 LYS A 3 -0.235 22.874 6.168 1.00 12.00 H new ATOM 26 N VAL A 4 3.190 28.490 9.520 1.00 12.00 N ATOM 27 CA VAL A 4 4.630 28.770 9.350 1.00 12.00 C ATOM 28 C VAL A 4 5.420 27.480 9.680 1.00 12.00 C ATOM 29 O VAL A 4 5.160 26.850 10.700 1.00 12.00 O ATOM 30 CB VAL A 4 5.040 29.990 10.210 1.00 12.00 C ATOM 31 CG1 VAL A 4 4.760 29.830 11.720 1.00 12.00 C ATOM 32 CG2 VAL A 4 6.510 30.380 9.980 1.00 12.00 C ATOM 0 H VAL A 4 2.975 28.081 10.429 1.00 12.00 H new ATOM 0 HA VAL A 4 4.863 29.043 8.321 1.00 12.00 H new ATOM 0 HB VAL A 4 4.395 30.798 9.865 1.00 12.00 H new ATOM 0 HG11 VAL A 4 5.078 30.730 12.246 1.00 12.00 H new ATOM 0 HG12 VAL A 4 3.693 29.675 11.878 1.00 12.00 H new ATOM 0 HG13 VAL A 4 5.312 28.972 12.103 1.00 12.00 H new ATOM 0 HG21 VAL A 4 6.760 31.240 10.601 1.00 12.00 H new ATOM 0 HG22 VAL A 4 7.155 29.542 10.245 1.00 12.00 H new ATOM 0 HG23 VAL A 4 6.659 30.635 8.931 1.00 12.00 H new ATOM 33 N LYS A 5 6.260 27.060 8.730 1.00 12.00 N ATOM 34 CA LYS A 5 7.040 25.800 8.840 1.00 12.00 C ATOM 35 C LYS A 5 8.320 25.770 7.970 1.00 12.00 C ATOM 36 O LYS A 5 8.280 26.240 6.830 1.00 12.00 O ATOM 37 CB LYS A 5 6.150 24.570 8.570 1.00 12.00 C ATOM 38 CG LYS A 5 5.400 24.620 7.230 1.00 12.00 C ATOM 39 CD LYS A 5 4.310 23.560 7.190 1.00 12.00 C ATOM 40 CE LYS A 5 3.500 23.700 5.900 1.00 12.00 C ATOM 41 NZ LYS A 5 2.370 22.760 5.930 1.00 12.00 N ATOM 0 H LYS A 5 6.426 27.572 7.864 1.00 12.00 H new ATOM 0 HA LYS A 5 7.390 25.761 9.872 1.00 12.00 H new ATOM 0 HB2 LYS A 5 6.770 23.674 8.594 1.00 12.00 H new ATOM 0 HB3 LYS A 5 5.424 24.476 9.377 1.00 12.00 H new ATOM 0 HG2 LYS A 5 4.961 25.607 7.089 1.00 12.00 H new ATOM 0 HG3 LYS A 5 6.099 24.462 6.409 1.00 12.00 H new ATOM 0 HD2 LYS A 5 4.754 22.566 7.246 1.00 12.00 H new ATOM 0 HD3 LYS A 5 3.655 23.665 8.055 1.00 12.00 H new ATOM 0 HE2 LYS A 5 3.135 24.722 5.796 1.00 12.00 H new ATOM 0 HE3 LYS A 5 4.133 23.498 5.036 1.00 12.00 H new ATOM 0 HZ1 LYS A 5 1.699 22.999 5.172 1.00 12.00 H new ATOM 0 HZ2 LYS A 5 2.721 21.791 5.789 1.00 12.00 H new ATOM 0 HZ3 LYS A 5 1.890 22.824 6.850 1.00 12.00 H new ATOM 42 N PRO A 6 9.450 25.280 8.520 1.00 12.00 N ATOM 43 CA PRO A 6 10.700 25.120 7.750 1.00 12.00 C ATOM 44 C PRO A 6 10.710 23.870 6.860 1.00 12.00 C ATOM 45 O PRO A 6 11.230 22.820 7.230 1.00 12.00 O ATOM 46 CB PRO A 6 11.800 25.110 8.830 1.00 12.00 C ATOM 47 CG PRO A 6 11.100 24.510 10.050 1.00 12.00 C ATOM 48 CD PRO A 6 9.690 25.090 9.960 1.00 12.00 C ATOM 0 HA PRO A 6 10.842 25.923 7.027 1.00 12.00 H new ATOM 0 HB2 PRO A 6 12.657 24.510 8.524 1.00 12.00 H new ATOM 0 HB3 PRO A 6 12.171 26.114 9.034 1.00 12.00 H new ATOM 0 HG2 PRO A 6 11.091 23.421 10.014 1.00 12.00 H new ATOM 0 HG3 PRO A 6 11.594 24.794 10.979 1.00 12.00 H new ATOM 0 HD2 PRO A 6 8.956 24.413 10.397 1.00 12.00 H new ATOM 0 HD3 PRO A 6 9.616 26.033 10.501 1.00 12.00 H new ATOM 49 N ASN A 7 9.990 24.020 5.740 1.00 12.00 N ATOM 50 CA ASN A 7 9.840 23.080 4.590 1.00 12.00 C ATOM 51 C ASN A 7 10.510 21.680 4.650 1.00 12.00 C ATOM 52 O ASN A 7 11.680 21.580 4.990 1.00 12.00 O ATOM 53 CB ASN A 7 10.240 23.830 3.310 1.00 12.00 C ATOM 54 CG ASN A 7 9.340 25.050 3.060 1.00 12.00 C ATOM 55 OD1 ASN A 7 8.170 25.090 3.390 1.00 12.00 O ATOM 56 ND2 ASN A 7 9.930 26.100 2.560 1.00 12.00 N ATOM 0 H ASN A 7 9.446 24.870 5.590 1.00 12.00 H new ATOM 0 HA ASN A 7 8.789 22.793 4.622 1.00 12.00 H new ATOM 0 HB2 ASN A 7 11.278 24.154 3.387 1.00 12.00 H new ATOM 0 HB3 ASN A 7 10.180 23.153 2.458 1.00 12.00 H new ATOM 0 HD21 ASN A 7 9.410 26.969 2.441 1.00 12.00 H new ATOM 0 HD22 ASN A 7 10.912 26.052 2.288 1.00 12.00 H new ATOM 57 N PRO A 8 9.810 20.620 4.200 1.00 12.00 N ATOM 58 CA PRO A 8 10.280 19.220 4.310 1.00 12.00 C ATOM 59 C PRO A 8 11.720 18.970 3.820 1.00 12.00 C ATOM 60 O PRO A 8 12.120 19.540 2.800 1.00 12.00 O ATOM 61 CB PRO A 8 9.300 18.420 3.440 1.00 12.00 C ATOM 62 CG PRO A 8 8.010 19.220 3.550 1.00 12.00 C ATOM 63 CD PRO A 8 8.480 20.670 3.560 1.00 12.00 C ATOM 0 HA PRO A 8 10.304 18.933 5.361 1.00 12.00 H new ATOM 0 HB2 PRO A 8 9.643 18.348 2.408 1.00 12.00 H new ATOM 0 HB3 PRO A 8 9.175 17.401 3.806 1.00 12.00 H new ATOM 0 HG2 PRO A 8 7.344 19.021 2.711 1.00 12.00 H new ATOM 0 HG3 PRO A 8 7.461 18.971 4.458 1.00 12.00 H new ATOM 0 HD2 PRO A 8 8.540 21.075 2.550 1.00 12.00 H new ATOM 0 HD3 PRO A 8 7.794 21.306 4.119 1.00 12.00 H new ATOM 64 N PRO A 9 12.490 18.150 4.550 1.00 12.00 N ATOM 65 CA PRO A 9 13.810 17.660 4.090 1.00 12.00 C ATOM 66 C PRO A 9 13.590 16.470 3.130 1.00 12.00 C ATOM 67 O PRO A 9 14.000 15.340 3.370 1.00 12.00 O ATOM 68 CB PRO A 9 14.540 17.290 5.380 1.00 12.00 C ATOM 69 CG PRO A 9 13.420 16.820 6.300 1.00 12.00 C ATOM 70 CD PRO A 9 12.240 17.730 5.940 1.00 12.00 C ATOM 0 HA PRO A 9 14.399 18.382 3.525 1.00 12.00 H new ATOM 0 HB2 PRO A 9 15.278 16.505 5.213 1.00 12.00 H new ATOM 0 HB3 PRO A 9 15.072 18.144 5.799 1.00 12.00 H new ATOM 0 HG2 PRO A 9 13.180 15.770 6.133 1.00 12.00 H new ATOM 0 HG3 PRO A 9 13.696 16.921 7.350 1.00 12.00 H new ATOM 0 HD2 PRO A 9 11.292 17.199 6.027 1.00 12.00 H new ATOM 0 HD3 PRO A 9 12.187 18.590 6.608 1.00 12.00 H new ATOM 71 N HIS A 10 13.030 16.840 1.990 1.00 12.00 N ATOM 72 CA HIS A 10 12.400 15.960 0.980 1.00 12.00 C ATOM 73 C HIS A 10 13.390 15.040 0.230 1.00 12.00 C ATOM 74 O HIS A 10 14.550 14.940 0.620 1.00 12.00 O ATOM 75 CB HIS A 10 11.580 16.850 0.030 1.00 12.00 C ATOM 76 CG HIS A 10 12.380 18.010 -0.590 1.00 12.00 C ATOM 77 ND1 HIS A 10 12.610 19.200 -0.030 1.00 12.00 N ATOM 78 CD2 HIS A 10 13.050 17.970 -1.730 1.00 12.00 C ATOM 79 CE1 HIS A 10 13.440 19.880 -0.820 1.00 12.00 C ATOM 80 NE2 HIS A 10 13.710 19.110 -1.870 1.00 12.00 N ATOM 0 H HIS A 10 12.993 17.821 1.714 1.00 12.00 H new ATOM 0 HA HIS A 10 11.748 15.254 1.494 1.00 12.00 H new ATOM 0 HB2 HIS A 10 11.176 16.232 -0.772 1.00 12.00 H new ATOM 0 HB3 HIS A 10 10.730 17.260 0.576 1.00 12.00 H new ATOM 0 HD1 HIS A 10 12.218 19.532 0.851 1.00 12.00 H new ATOM 0 HD2 HIS A 10 13.058 17.147 -2.429 1.00 12.00 H new ATOM 0 HE1 HIS A 10 13.823 20.874 -0.641 1.00 12.00 H new ATOM 81 N ASN A 11 12.900 14.310 -0.770 1.00 12.00 N ATOM 82 CA ASN A 11 13.680 13.360 -1.600 1.00 12.00 C ATOM 83 C ASN A 11 14.450 12.300 -0.790 1.00 12.00 C ATOM 84 O ASN A 11 15.620 11.990 -1.030 1.00 12.00 O ATOM 85 CB ASN A 11 14.600 14.110 -2.580 1.00 12.00 C ATOM 86 CG ASN A 11 13.840 14.970 -3.590 1.00 12.00 C ATOM 87 OD1 ASN A 11 12.740 14.670 -4.040 1.00 12.00 O ATOM 88 ND2 ASN A 11 14.360 16.140 -3.870 1.00 12.00 N ATOM 0 H ASN A 11 11.918 14.356 -1.043 1.00 12.00 H new ATOM 0 HA ASN A 11 12.946 12.796 -2.176 1.00 12.00 H new ATOM 0 HB2 ASN A 11 15.281 14.745 -2.013 1.00 12.00 H new ATOM 0 HB3 ASN A 11 15.212 13.386 -3.118 1.00 12.00 H new ATOM 0 HD21 ASN A 11 13.850 16.797 -4.460 1.00 12.00 H new ATOM 0 HD22 ASN A 11 15.275 16.394 -3.498 1.00 12.00 H new ATOM 89 N LEU A 12 13.700 11.670 0.110 1.00 12.00 N ATOM 90 CA LEU A 12 14.210 10.670 1.060 1.00 12.00 C ATOM 91 C LEU A 12 14.370 9.280 0.410 1.00 12.00 C ATOM 92 O LEU A 12 13.390 8.630 0.040 1.00 12.00 O ATOM 93 CB LEU A 12 13.280 10.640 2.280 1.00 12.00 C ATOM 94 CG LEU A 12 13.900 9.860 3.440 1.00 12.00 C ATOM 95 CD1 LEU A 12 15.100 10.590 4.030 1.00 12.00 C ATOM 96 CD2 LEU A 12 12.840 9.620 4.530 1.00 12.00 C ATOM 0 H LEU A 12 12.699 11.840 0.206 1.00 12.00 H new ATOM 0 HA LEU A 12 15.212 10.954 1.381 1.00 12.00 H new ATOM 0 HB2 LEU A 12 13.065 11.660 2.600 1.00 12.00 H new ATOM 0 HB3 LEU A 12 12.329 10.186 2.002 1.00 12.00 H new ATOM 0 HG LEU A 12 14.252 8.903 3.053 1.00 12.00 H new ATOM 0 HD11 LEU A 12 15.514 10.005 4.852 1.00 12.00 H new ATOM 0 HD12 LEU A 12 15.860 10.722 3.260 1.00 12.00 H new ATOM 0 HD13 LEU A 12 14.786 11.566 4.401 1.00 12.00 H new ATOM 0 HD21 LEU A 12 13.286 9.064 5.355 1.00 12.00 H new ATOM 0 HD22 LEU A 12 12.471 10.578 4.896 1.00 12.00 H new ATOM 0 HD23 LEU A 12 12.012 9.048 4.112 1.00 12.00 H new ATOM 97 N SER A 13 15.630 8.910 0.200 1.00 12.00 N ATOM 98 CA SER A 13 16.020 7.620 -0.410 1.00 12.00 C ATOM 99 C SER A 13 16.950 6.800 0.480 1.00 12.00 C ATOM 100 O SER A 13 17.870 7.330 1.100 1.00 12.00 O ATOM 101 CB SER A 13 16.680 7.850 -1.780 1.00 12.00 C ATOM 102 OG SER A 13 16.940 6.590 -2.410 1.00 12.00 O ATOM 0 H SER A 13 16.427 9.497 0.448 1.00 12.00 H new ATOM 0 HA SER A 13 15.102 7.046 -0.534 1.00 12.00 H new ATOM 0 HB2 SER A 13 16.029 8.455 -2.411 1.00 12.00 H new ATOM 0 HB3 SER A 13 17.610 8.405 -1.657 1.00 12.00 H new ATOM 0 HG SER A 13 17.208 6.739 -3.341 1.00 12.00 H new ATOM 103 N VAL A 14 16.810 5.490 0.350 1.00 12.00 N ATOM 104 CA VAL A 14 17.490 4.470 1.180 1.00 12.00 C ATOM 105 C VAL A 14 18.640 3.710 0.470 1.00 12.00 C ATOM 106 O VAL A 14 18.930 2.570 0.810 1.00 12.00 O ATOM 107 CB VAL A 14 16.470 3.440 1.700 1.00 12.00 C ATOM 108 CG1 VAL A 14 15.670 3.980 2.890 1.00 12.00 C ATOM 109 CG2 VAL A 14 15.550 2.890 0.590 1.00 12.00 C ATOM 0 H VAL A 14 16.201 5.078 -0.357 1.00 12.00 H new ATOM 0 HA VAL A 14 17.945 5.033 1.995 1.00 12.00 H new ATOM 0 HB VAL A 14 17.052 2.591 2.058 1.00 12.00 H new ATOM 0 HG11 VAL A 14 14.962 3.223 3.226 1.00 12.00 H new ATOM 0 HG12 VAL A 14 16.351 4.227 3.704 1.00 12.00 H new ATOM 0 HG13 VAL A 14 15.127 4.875 2.587 1.00 12.00 H new ATOM 0 HG21 VAL A 14 14.854 2.169 1.019 1.00 12.00 H new ATOM 0 HG22 VAL A 14 14.991 3.711 0.140 1.00 12.00 H new ATOM 0 HG23 VAL A 14 16.154 2.401 -0.174 1.00 12.00 H new ATOM 110 N ILE A 15 19.310 4.390 -0.450 1.00 12.00 N ATOM 111 CA ILE A 15 20.340 3.790 -1.340 1.00 12.00 C ATOM 112 C ILE A 15 21.390 2.910 -0.610 1.00 12.00 C ATOM 113 O ILE A 15 22.080 3.340 0.310 1.00 12.00 O ATOM 114 CB ILE A 15 21.010 4.830 -2.250 1.00 12.00 C ATOM 115 CG1 ILE A 15 21.560 6.050 -1.470 1.00 12.00 C ATOM 116 CG2 ILE A 15 20.030 5.230 -3.360 1.00 12.00 C ATOM 117 CD1 ILE A 15 22.550 6.900 -2.260 1.00 12.00 C ATOM 0 H ILE A 15 19.165 5.386 -0.615 1.00 12.00 H new ATOM 0 HA ILE A 15 19.779 3.104 -1.975 1.00 12.00 H new ATOM 0 HB ILE A 15 21.890 4.376 -2.705 1.00 12.00 H new ATOM 0 HG12 ILE A 15 20.724 6.678 -1.162 1.00 12.00 H new ATOM 0 HG13 ILE A 15 22.046 5.697 -0.560 1.00 12.00 H new ATOM 0 HG21 ILE A 15 20.499 5.968 -4.010 1.00 12.00 H new ATOM 0 HG22 ILE A 15 19.763 4.349 -3.944 1.00 12.00 H new ATOM 0 HG23 ILE A 15 19.131 5.657 -2.915 1.00 12.00 H new ATOM 0 HD11 ILE A 15 22.887 7.733 -1.643 1.00 12.00 H new ATOM 0 HD12 ILE A 15 23.407 6.290 -2.546 1.00 12.00 H new ATOM 0 HD13 ILE A 15 22.064 7.285 -3.156 1.00 12.00 H new ATOM 118 N ASN A 16 21.390 1.630 -0.980 1.00 12.00 N ATOM 119 CA ASN A 16 22.290 0.630 -0.370 1.00 12.00 C ATOM 120 C ASN A 16 23.670 0.560 -1.040 1.00 12.00 C ATOM 121 O ASN A 16 23.810 0.630 -2.260 1.00 12.00 O ATOM 122 CB ASN A 16 21.640 -0.760 -0.300 1.00 12.00 C ATOM 123 CG ASN A 16 20.860 -1.200 -1.550 1.00 12.00 C ATOM 124 OD1 ASN A 16 21.060 -0.740 -2.670 1.00 12.00 O ATOM 125 ND2 ASN A 16 19.850 -2.020 -1.350 1.00 12.00 N ATOM 0 H ASN A 16 20.777 1.252 -1.702 1.00 12.00 H new ATOM 0 HA ASN A 16 22.460 0.977 0.649 1.00 12.00 H new ATOM 0 HB2 ASN A 16 22.420 -1.495 -0.105 1.00 12.00 H new ATOM 0 HB3 ASN A 16 20.962 -0.780 0.553 1.00 12.00 H new ATOM 0 HD21 ASN A 16 19.236 -2.271 -2.125 1.00 12.00 H new ATOM 0 HD22 ASN A 16 19.681 -2.404 -0.420 1.00 12.00 H new ATOM 126 N SER A 17 24.680 0.440 -0.180 1.00 12.00 N ATOM 127 CA SER A 17 26.090 0.360 -0.610 1.00 12.00 C ATOM 128 C SER A 17 26.430 -1.060 -1.070 1.00 12.00 C ATOM 129 O SER A 17 26.810 -1.920 -0.270 1.00 12.00 O ATOM 130 CB SER A 17 27.010 0.820 0.530 1.00 12.00 C ATOM 131 OG SER A 17 28.370 0.790 0.080 1.00 12.00 O ATOM 0 H SER A 17 24.554 0.395 0.831 1.00 12.00 H new ATOM 0 HA SER A 17 26.245 1.025 -1.460 1.00 12.00 H new ATOM 0 HB2 SER A 17 26.741 1.828 0.846 1.00 12.00 H new ATOM 0 HB3 SER A 17 26.887 0.171 1.397 1.00 12.00 H new ATOM 0 HG SER A 17 28.961 1.084 0.804 1.00 12.00 H new ATOM 132 N GLU A 18 26.120 -1.290 -2.350 1.00 12.00 N ATOM 133 CA GLU A 18 26.200 -2.550 -3.130 1.00 12.00 C ATOM 134 C GLU A 18 25.970 -3.870 -2.340 1.00 12.00 C ATOM 135 O GLU A 18 24.880 -4.420 -2.360 1.00 12.00 O ATOM 136 CB GLU A 18 27.470 -2.580 -3.990 1.00 12.00 C ATOM 137 CG GLU A 18 27.400 -3.640 -5.100 1.00 12.00 C ATOM 138 CD GLU A 18 28.640 -3.730 -6.000 1.00 12.00 C ATOM 139 OE1 GLU A 18 29.530 -2.860 -5.900 1.00 12.00 O ATOM 140 OE2 GLU A 18 28.660 -4.700 -6.790 1.00 12.00 O ATOM 0 H GLU A 18 25.771 -0.529 -2.932 1.00 12.00 H new ATOM 0 HA GLU A 18 25.330 -2.523 -3.787 1.00 12.00 H new ATOM 0 HB2 GLU A 18 27.626 -1.599 -4.438 1.00 12.00 H new ATOM 0 HB3 GLU A 18 28.332 -2.780 -3.354 1.00 12.00 H new ATOM 0 HG2 GLU A 18 27.234 -4.614 -4.640 1.00 12.00 H new ATOM 0 HG3 GLU A 18 26.532 -3.431 -5.725 1.00 12.00 H new ATOM 141 N GLU A 19 27.010 -4.310 -1.630 1.00 12.00 N ATOM 142 CA GLU A 19 27.040 -5.600 -0.910 1.00 12.00 C ATOM 143 C GLU A 19 26.610 -5.570 0.570 1.00 12.00 C ATOM 144 O GLU A 19 26.350 -6.620 1.150 1.00 12.00 O ATOM 145 CB GLU A 19 28.450 -6.180 -1.000 1.00 12.00 C ATOM 146 CG GLU A 19 28.810 -6.630 -2.420 1.00 12.00 C ATOM 147 CD GLU A 19 30.280 -7.050 -2.500 1.00 12.00 C ATOM 148 OE1 GLU A 19 30.590 -8.150 -2.000 1.00 12.00 O ATOM 149 OE2 GLU A 19 31.060 -6.230 -3.040 1.00 12.00 O ATOM 0 H GLU A 19 27.874 -3.776 -1.533 1.00 12.00 H new ATOM 0 HA GLU A 19 26.291 -6.216 -1.407 1.00 12.00 H new ATOM 0 HB2 GLU A 19 29.169 -5.432 -0.666 1.00 12.00 H new ATOM 0 HB3 GLU A 19 28.534 -7.029 -0.321 1.00 12.00 H new ATOM 0 HG2 GLU A 19 28.172 -7.463 -2.715 1.00 12.00 H new ATOM 0 HG3 GLU A 19 28.620 -5.819 -3.123 1.00 12.00 H new ATOM 150 N LEU A 20 26.590 -4.380 1.170 1.00 12.00 N ATOM 151 CA LEU A 20 26.400 -4.220 2.630 1.00 12.00 C ATOM 152 C LEU A 20 24.990 -4.520 3.150 1.00 12.00 C ATOM 153 O LEU A 20 24.190 -3.640 3.450 1.00 12.00 O ATOM 154 CB LEU A 20 26.910 -2.850 3.100 1.00 12.00 C ATOM 155 CG LEU A 20 28.430 -2.730 2.990 1.00 12.00 C ATOM 156 CD1 LEU A 20 28.860 -1.270 3.160 1.00 12.00 C ATOM 157 CD2 LEU A 20 29.150 -3.620 4.010 1.00 12.00 C ATOM 0 H LEU A 20 26.703 -3.498 0.670 1.00 12.00 H new ATOM 0 HA LEU A 20 27.011 -5.002 3.082 1.00 12.00 H new ATOM 0 HB2 LEU A 20 26.442 -2.066 2.505 1.00 12.00 H new ATOM 0 HB3 LEU A 20 26.609 -2.688 4.135 1.00 12.00 H new ATOM 0 HG LEU A 20 28.716 -3.075 1.996 1.00 12.00 H new ATOM 0 HD11 LEU A 20 29.945 -1.198 3.080 1.00 12.00 H new ATOM 0 HD12 LEU A 20 28.398 -0.662 2.383 1.00 12.00 H new ATOM 0 HD13 LEU A 20 28.544 -0.909 4.139 1.00 12.00 H new ATOM 0 HD21 LEU A 20 30.228 -3.504 3.897 1.00 12.00 H new ATOM 0 HD22 LEU A 20 28.857 -3.328 5.018 1.00 12.00 H new ATOM 0 HD23 LEU A 20 28.877 -4.662 3.840 1.00 12.00 H new ATOM 158 N SER A 21 24.810 -5.810 3.460 1.00 12.00 N ATOM 159 CA SER A 21 23.580 -6.380 4.050 1.00 12.00 C ATOM 160 C SER A 21 23.340 -6.040 5.530 1.00 12.00 C ATOM 161 O SER A 21 22.500 -6.640 6.200 1.00 12.00 O ATOM 162 CB SER A 21 23.620 -7.900 3.870 1.00 12.00 C ATOM 163 OG SER A 21 23.800 -8.200 2.490 1.00 12.00 O ATOM 0 H SER A 21 25.534 -6.511 3.305 1.00 12.00 H new ATOM 0 HA SER A 21 22.746 -5.921 3.520 1.00 12.00 H new ATOM 0 HB2 SER A 21 24.433 -8.327 4.457 1.00 12.00 H new ATOM 0 HB3 SER A 21 22.695 -8.347 4.235 1.00 12.00 H new ATOM 0 HG SER A 21 23.694 -9.164 2.348 1.00 12.00 H new ATOM 164 N SER A 22 24.030 -5.000 6.000 1.00 12.00 N ATOM 165 CA SER A 22 23.910 -4.460 7.370 1.00 12.00 C ATOM 166 C SER A 22 23.620 -2.940 7.390 1.00 12.00 C ATOM 167 O SER A 22 23.370 -2.380 8.460 1.00 12.00 O ATOM 168 CB SER A 22 25.190 -4.720 8.160 1.00 12.00 C ATOM 169 OG SER A 22 25.530 -6.100 8.100 1.00 12.00 O ATOM 0 H SER A 22 24.707 -4.492 5.430 1.00 12.00 H new ATOM 0 HA SER A 22 23.065 -4.975 7.828 1.00 12.00 H new ATOM 0 HB2 SER A 22 26.004 -4.119 7.756 1.00 12.00 H new ATOM 0 HB3 SER A 22 25.054 -4.416 9.198 1.00 12.00 H new ATOM 0 HG SER A 22 26.353 -6.256 8.608 1.00 12.00 H new ATOM 170 N ILE A 23 23.670 -2.300 6.210 1.00 12.00 N ATOM 171 CA ILE A 23 23.680 -0.830 6.060 1.00 12.00 C ATOM 172 C ILE A 23 22.770 -0.380 4.890 1.00 12.00 C ATOM 173 O ILE A 23 22.790 -0.960 3.810 1.00 12.00 O ATOM 174 CB ILE A 23 25.140 -0.340 5.840 1.00 12.00 C ATOM 175 CG1 ILE A 23 26.050 -0.720 7.020 1.00 12.00 C ATOM 176 CG2 ILE A 23 25.210 1.190 5.620 1.00 12.00 C ATOM 177 CD1 ILE A 23 27.550 -0.660 6.730 1.00 12.00 C ATOM 0 H ILE A 23 23.705 -2.794 5.318 1.00 12.00 H new ATOM 0 HA ILE A 23 23.285 -0.383 6.972 1.00 12.00 H new ATOM 0 HB ILE A 23 25.494 -0.841 4.939 1.00 12.00 H new ATOM 0 HG12 ILE A 23 25.831 -0.056 7.856 1.00 12.00 H new ATOM 0 HG13 ILE A 23 25.798 -1.731 7.342 1.00 12.00 H new ATOM 0 HG21 ILE A 23 26.247 1.489 5.471 1.00 12.00 H new ATOM 0 HG22 ILE A 23 24.625 1.458 4.740 1.00 12.00 H new ATOM 0 HG23 ILE A 23 24.807 1.702 6.494 1.00 12.00 H new ATOM 0 HD11 ILE A 23 28.105 -0.945 7.624 1.00 12.00 H new ATOM 0 HD12 ILE A 23 27.791 -1.346 5.918 1.00 12.00 H new ATOM 0 HD13 ILE A 23 27.824 0.354 6.441 1.00 12.00 H new ATOM 178 N LEU A 24 22.040 0.700 5.160 1.00 12.00 N ATOM 179 CA LEU A 24 21.370 1.530 4.130 1.00 12.00 C ATOM 180 C LEU A 24 21.860 2.980 4.280 1.00 12.00 C ATOM 181 O LEU A 24 21.930 3.490 5.400 1.00 12.00 O ATOM 182 CB LEU A 24 19.830 1.560 4.260 1.00 12.00 C ATOM 183 CG LEU A 24 19.030 0.310 3.840 1.00 12.00 C ATOM 184 CD1 LEU A 24 19.330 -0.150 2.410 1.00 12.00 C ATOM 185 CD2 LEU A 24 19.210 -0.850 4.800 1.00 12.00 C ATOM 0 H LEU A 24 21.888 1.038 6.110 1.00 12.00 H new ATOM 0 HA LEU A 24 21.619 1.087 3.166 1.00 12.00 H new ATOM 0 HB2 LEU A 24 19.590 1.772 5.302 1.00 12.00 H new ATOM 0 HB3 LEU A 24 19.464 2.401 3.671 1.00 12.00 H new ATOM 0 HG LEU A 24 17.988 0.629 3.875 1.00 12.00 H new ATOM 0 HD11 LEU A 24 18.734 -1.033 2.179 1.00 12.00 H new ATOM 0 HD12 LEU A 24 19.081 0.649 1.711 1.00 12.00 H new ATOM 0 HD13 LEU A 24 20.389 -0.393 2.321 1.00 12.00 H new ATOM 0 HD21 LEU A 24 18.624 -1.702 4.455 1.00 12.00 H new ATOM 0 HD22 LEU A 24 20.263 -1.127 4.843 1.00 12.00 H new ATOM 0 HD23 LEU A 24 18.872 -0.556 5.794 1.00 12.00 H new ATOM 186 N LYS A 25 22.200 3.630 3.170 1.00 12.00 N ATOM 187 CA LYS A 25 22.520 5.070 3.220 1.00 12.00 C ATOM 188 C LYS A 25 21.250 5.870 2.920 1.00 12.00 C ATOM 189 O LYS A 25 20.730 5.890 1.810 1.00 12.00 O ATOM 190 CB LYS A 25 23.660 5.490 2.280 1.00 12.00 C ATOM 191 CG LYS A 25 24.010 6.960 2.530 1.00 12.00 C ATOM 192 CD LYS A 25 24.960 7.570 1.500 1.00 12.00 C ATOM 193 CE LYS A 25 26.410 7.130 1.690 1.00 12.00 C ATOM 194 NZ LYS A 25 27.250 7.950 0.800 1.00 12.00 N ATOM 0 H LYS A 25 22.263 3.205 2.245 1.00 12.00 H new ATOM 0 HA LYS A 25 22.883 5.284 4.225 1.00 12.00 H new ATOM 0 HB2 LYS A 25 24.535 4.863 2.449 1.00 12.00 H new ATOM 0 HB3 LYS A 25 23.361 5.347 1.242 1.00 12.00 H new ATOM 0 HG2 LYS A 25 23.089 7.542 2.545 1.00 12.00 H new ATOM 0 HG3 LYS A 25 24.460 7.050 3.519 1.00 12.00 H new ATOM 0 HD2 LYS A 25 24.630 7.291 0.499 1.00 12.00 H new ATOM 0 HD3 LYS A 25 24.905 8.657 1.562 1.00 12.00 H new ATOM 0 HE2 LYS A 25 26.715 7.258 2.729 1.00 12.00 H new ATOM 0 HE3 LYS A 25 26.522 6.072 1.453 1.00 12.00 H new ATOM 0 HZ1 LYS A 25 28.246 7.671 0.909 1.00 12.00 H new ATOM 0 HZ2 LYS A 25 26.955 7.804 -0.187 1.00 12.00 H new ATOM 0 HZ3 LYS A 25 27.142 8.954 1.049 1.00 12.00 H new ATOM 195 N LEU A 26 20.770 6.490 3.990 1.00 12.00 N ATOM 196 CA LEU A 26 19.590 7.350 3.930 1.00 12.00 C ATOM 197 C LEU A 26 20.010 8.770 3.510 1.00 12.00 C ATOM 198 O LEU A 26 20.800 9.420 4.180 1.00 12.00 O ATOM 199 CB LEU A 26 18.920 7.350 5.310 1.00 12.00 C ATOM 200 CG LEU A 26 17.540 8.010 5.250 1.00 12.00 C ATOM 201 CD1 LEU A 26 16.530 7.130 4.500 1.00 12.00 C ATOM 202 CD2 LEU A 26 17.040 8.280 6.660 1.00 12.00 C ATOM 0 H LEU A 26 21.183 6.413 4.920 1.00 12.00 H new ATOM 0 HA LEU A 26 18.878 6.981 3.192 1.00 12.00 H new ATOM 0 HB2 LEU A 26 18.822 6.326 5.671 1.00 12.00 H new ATOM 0 HB3 LEU A 26 19.550 7.880 6.024 1.00 12.00 H new ATOM 0 HG LEU A 26 17.637 8.950 4.706 1.00 12.00 H new ATOM 0 HD11 LEU A 26 15.561 7.628 4.476 1.00 12.00 H new ATOM 0 HD12 LEU A 26 16.878 6.964 3.481 1.00 12.00 H new ATOM 0 HD13 LEU A 26 16.433 6.172 5.010 1.00 12.00 H new ATOM 0 HD21 LEU A 26 16.058 8.750 6.614 1.00 12.00 H new ATOM 0 HD22 LEU A 26 16.967 7.340 7.207 1.00 12.00 H new ATOM 0 HD23 LEU A 26 17.736 8.944 7.172 1.00 12.00 H new ATOM 203 N THR A 27 19.650 9.090 2.270 1.00 12.00 N ATOM 204 CA THR A 27 19.910 10.410 1.650 1.00 12.00 C ATOM 205 C THR A 27 18.610 11.210 1.490 1.00 12.00 C ATOM 206 O THR A 27 17.550 10.630 1.250 1.00 12.00 O ATOM 207 CB THR A 27 20.580 10.260 0.280 1.00 12.00 C ATOM 208 OG1 THR A 27 19.840 9.350 -0.540 1.00 12.00 O ATOM 209 CG2 THR A 27 22.040 9.840 0.400 1.00 12.00 C ATOM 0 H THR A 27 19.164 8.441 1.651 1.00 12.00 H new ATOM 0 HA THR A 27 20.583 10.948 2.317 1.00 12.00 H new ATOM 0 HB THR A 27 20.575 11.238 -0.201 1.00 12.00 H new ATOM 0 HG1 THR A 27 20.278 9.265 -1.412 1.00 12.00 H new ATOM 0 HG21 THR A 27 22.475 9.746 -0.595 1.00 12.00 H new ATOM 0 HG22 THR A 27 22.590 10.592 0.966 1.00 12.00 H new ATOM 0 HG23 THR A 27 22.102 8.881 0.915 1.00 12.00 H new ATOM 210 N TRP A 28 18.720 12.510 1.740 1.00 12.00 N ATOM 211 CA TRP A 28 17.610 13.470 1.620 1.00 12.00 C ATOM 212 C TRP A 28 18.090 14.860 1.160 1.00 12.00 C ATOM 213 O TRP A 28 19.280 15.150 1.120 1.00 12.00 O ATOM 214 CB TRP A 28 16.810 13.560 2.940 1.00 12.00 C ATOM 215 CG TRP A 28 17.600 14.070 4.160 1.00 12.00 C ATOM 216 CD1 TRP A 28 17.600 15.330 4.590 1.00 12.00 C ATOM 217 CD2 TRP A 28 18.320 13.310 5.070 1.00 12.00 C ATOM 218 NE1 TRP A 28 18.290 15.410 5.730 1.00 12.00 N ATOM 219 CE2 TRP A 28 18.750 14.210 6.060 1.00 12.00 C ATOM 220 CE3 TRP A 28 18.600 11.930 5.190 1.00 12.00 C ATOM 221 CZ2 TRP A 28 19.490 13.760 7.170 1.00 12.00 C ATOM 222 CZ3 TRP A 28 19.330 11.480 6.310 1.00 12.00 C ATOM 223 CH2 TRP A 28 19.770 12.380 7.290 1.00 12.00 C ATOM 0 H TRP A 28 19.595 12.942 2.037 1.00 12.00 H new ATOM 0 HA TRP A 28 16.943 13.094 0.844 1.00 12.00 H new ATOM 0 HB2 TRP A 28 15.955 14.217 2.782 1.00 12.00 H new ATOM 0 HB3 TRP A 28 16.414 12.572 3.173 1.00 12.00 H new ATOM 0 HD1 TRP A 28 17.117 16.159 4.094 1.00 12.00 H new ATOM 0 HE1 TRP A 28 18.441 16.264 6.266 1.00 12.00 H new ATOM 0 HE3 TRP A 28 18.261 11.233 4.438 1.00 12.00 H new ATOM 0 HZ2 TRP A 28 19.838 14.458 7.917 1.00 12.00 H new ATOM 0 HZ3 TRP A 28 19.553 10.428 6.414 1.00 12.00 H new ATOM 0 HH2 TRP A 28 20.326 12.017 8.142 1.00 12.00 H new ATOM 224 N THR A 29 17.130 15.710 0.850 1.00 12.00 N ATOM 225 CA THR A 29 17.390 17.090 0.380 1.00 12.00 C ATOM 226 C THR A 29 16.770 18.100 1.340 1.00 12.00 C ATOM 227 O THR A 29 15.550 18.290 1.390 1.00 12.00 O ATOM 228 CB THR A 29 16.860 17.280 -1.050 1.00 12.00 C ATOM 229 OG1 THR A 29 17.300 16.190 -1.870 1.00 12.00 O ATOM 230 CG2 THR A 29 17.320 18.600 -1.670 1.00 12.00 C ATOM 0 H THR A 29 16.139 15.478 0.912 1.00 12.00 H new ATOM 0 HA THR A 29 18.467 17.260 0.361 1.00 12.00 H new ATOM 0 HB THR A 29 15.772 17.304 -0.996 1.00 12.00 H new ATOM 0 HG1 THR A 29 17.248 16.449 -2.814 1.00 12.00 H new ATOM 0 HG21 THR A 29 16.919 18.687 -2.680 1.00 12.00 H new ATOM 0 HG22 THR A 29 16.960 19.432 -1.064 1.00 12.00 H new ATOM 0 HG23 THR A 29 18.409 18.624 -1.708 1.00 12.00 H new ATOM 231 N ASN A 30 17.660 18.750 2.080 1.00 12.00 N ATOM 232 CA ASN A 30 17.340 19.860 3.010 1.00 12.00 C ATOM 233 C ASN A 30 16.450 20.950 2.360 1.00 12.00 C ATOM 234 O ASN A 30 16.620 21.180 1.160 1.00 12.00 O ATOM 235 CB ASN A 30 18.660 20.440 3.550 1.00 12.00 C ATOM 236 CG ASN A 30 19.740 20.770 2.510 1.00 12.00 C ATOM 237 OD1 ASN A 30 20.810 20.170 2.500 1.00 12.00 O ATOM 238 ND2 ASN A 30 19.420 21.550 1.500 1.00 12.00 N ATOM 0 H ASN A 30 18.654 18.524 2.059 1.00 12.00 H new ATOM 0 HA ASN A 30 16.748 19.466 3.836 1.00 12.00 H new ATOM 0 HB2 ASN A 30 18.431 21.350 4.104 1.00 12.00 H new ATOM 0 HB3 ASN A 30 19.079 19.729 4.263 1.00 12.00 H new ATOM 0 HD21 ASN A 30 20.060 21.654 0.713 1.00 12.00 H new ATOM 0 HD22 ASN A 30 18.531 22.051 1.504 1.00 12.00 H new ATOM 239 N PRO A 31 15.600 21.670 3.130 1.00 12.00 N ATOM 240 CA PRO A 31 14.610 22.650 2.620 1.00 12.00 C ATOM 241 C PRO A 31 15.030 23.470 1.390 1.00 12.00 C ATOM 242 O PRO A 31 14.370 23.390 0.360 1.00 12.00 O ATOM 243 CB PRO A 31 14.350 23.590 3.800 1.00 12.00 C ATOM 244 CG PRO A 31 14.560 22.720 5.030 1.00 12.00 C ATOM 245 CD PRO A 31 15.600 21.680 4.610 1.00 12.00 C ATOM 0 HA PRO A 31 13.739 22.100 2.265 1.00 12.00 H new ATOM 0 HB2 PRO A 31 15.035 24.438 3.791 1.00 12.00 H new ATOM 0 HB3 PRO A 31 13.339 23.997 3.769 1.00 12.00 H new ATOM 0 HG2 PRO A 31 14.913 23.311 5.875 1.00 12.00 H new ATOM 0 HG3 PRO A 31 13.630 22.244 5.340 1.00 12.00 H new ATOM 0 HD2 PRO A 31 16.586 21.937 4.997 1.00 12.00 H new ATOM 0 HD3 PRO A 31 15.348 20.696 5.006 1.00 12.00 H new ATOM 246 N SER A 32 16.170 24.150 1.520 1.00 12.00 N ATOM 247 CA SER A 32 16.760 25.100 0.540 1.00 12.00 C ATOM 248 C SER A 32 18.030 25.770 1.080 1.00 12.00 C ATOM 249 O SER A 32 18.910 26.170 0.310 1.00 12.00 O ATOM 250 CB SER A 32 15.790 26.210 0.140 1.00 12.00 C ATOM 251 OG SER A 32 15.300 26.890 1.310 1.00 12.00 O ATOM 0 H SER A 32 16.749 24.056 2.355 1.00 12.00 H new ATOM 0 HA SER A 32 16.997 24.490 -0.331 1.00 12.00 H new ATOM 0 HB2 SER A 32 16.290 26.920 -0.519 1.00 12.00 H new ATOM 0 HB3 SER A 32 14.955 25.789 -0.420 1.00 12.00 H new ATOM 0 HG SER A 32 14.681 27.600 1.040 1.00 12.00 H new ATOM 252 N ILE A 33 18.010 26.030 2.390 1.00 12.00 N ATOM 253 CA ILE A 33 19.100 26.610 3.210 1.00 12.00 C ATOM 254 C ILE A 33 20.500 26.130 2.800 1.00 12.00 C ATOM 255 O ILE A 33 20.720 24.950 2.540 1.00 12.00 O ATOM 256 CB ILE A 33 18.800 26.330 4.710 1.00 12.00 C ATOM 257 CG1 ILE A 33 17.420 26.910 5.090 1.00 12.00 C ATOM 258 CG2 ILE A 33 19.880 26.900 5.640 1.00 12.00 C ATOM 259 CD1 ILE A 33 16.810 26.330 6.370 1.00 12.00 C ATOM 0 H ILE A 33 17.182 25.831 2.952 1.00 12.00 H new ATOM 0 HA ILE A 33 19.120 27.686 3.034 1.00 12.00 H new ATOM 0 HB ILE A 33 18.797 25.248 4.841 1.00 12.00 H new ATOM 0 HG12 ILE A 33 17.515 27.990 5.206 1.00 12.00 H new ATOM 0 HG13 ILE A 33 16.729 26.738 4.265 1.00 12.00 H new ATOM 0 HG21 ILE A 33 19.623 26.677 6.676 1.00 12.00 H new ATOM 0 HG22 ILE A 33 20.842 26.448 5.400 1.00 12.00 H new ATOM 0 HG23 ILE A 33 19.943 27.980 5.506 1.00 12.00 H new ATOM 0 HD11 ILE A 33 15.843 26.797 6.556 1.00 12.00 H new ATOM 0 HD12 ILE A 33 16.677 25.254 6.255 1.00 12.00 H new ATOM 0 HD13 ILE A 33 17.475 26.526 7.211 1.00 12.00 H new ATOM 260 N LYS A 34 21.420 27.100 2.770 1.00 12.00 N ATOM 261 CA LYS A 34 22.840 26.890 2.420 1.00 12.00 C ATOM 262 C LYS A 34 23.780 26.760 3.640 1.00 12.00 C ATOM 263 O LYS A 34 23.360 26.330 4.710 1.00 12.00 O ATOM 264 CB LYS A 34 23.260 27.970 1.420 1.00 12.00 C ATOM 265 CG LYS A 34 23.150 27.450 -0.020 1.00 12.00 C ATOM 266 CD LYS A 34 23.780 28.420 -1.030 1.00 12.00 C ATOM 267 CE LYS A 34 22.940 29.680 -1.240 1.00 12.00 C ATOM 268 NZ LYS A 34 23.620 30.550 -2.210 1.00 12.00 N ATOM 0 H LYS A 34 21.201 28.071 2.991 1.00 12.00 H new ATOM 0 HA LYS A 34 22.940 25.915 1.944 1.00 12.00 H new ATOM 0 HB2 LYS A 34 22.630 28.851 1.543 1.00 12.00 H new ATOM 0 HB3 LYS A 34 24.285 28.281 1.622 1.00 12.00 H new ATOM 0 HG2 LYS A 34 23.641 26.480 -0.094 1.00 12.00 H new ATOM 0 HG3 LYS A 34 22.101 27.296 -0.271 1.00 12.00 H new ATOM 0 HD2 LYS A 34 24.774 28.704 -0.684 1.00 12.00 H new ATOM 0 HD3 LYS A 34 23.909 27.911 -1.985 1.00 12.00 H new ATOM 0 HE2 LYS A 34 21.947 29.415 -1.603 1.00 12.00 H new ATOM 0 HE3 LYS A 34 22.804 30.204 -0.294 1.00 12.00 H new ATOM 0 HZ1 LYS A 34 23.056 31.411 -2.360 1.00 12.00 H new ATOM 0 HZ2 LYS A 34 24.558 30.810 -1.845 1.00 12.00 H new ATOM 0 HZ3 LYS A 34 23.728 30.045 -3.113 1.00 12.00 H new ATOM 269 N SER A 35 25.010 27.290 3.510 1.00 12.00 N ATOM 270 CA SER A 35 26.180 27.060 4.380 1.00 12.00 C ATOM 271 C SER A 35 26.200 27.760 5.750 1.00 12.00 C ATOM 272 O SER A 35 27.270 28.090 6.280 1.00 12.00 O ATOM 273 CB SER A 35 27.420 27.450 3.560 1.00 12.00 C ATOM 274 OG SER A 35 27.230 28.770 3.030 1.00 12.00 O ATOM 0 H SER A 35 25.228 27.931 2.747 1.00 12.00 H new ATOM 0 HA SER A 35 26.147 26.008 4.663 1.00 12.00 H new ATOM 0 HB2 SER A 35 28.311 27.420 4.187 1.00 12.00 H new ATOM 0 HB3 SER A 35 27.576 26.737 2.750 1.00 12.00 H new ATOM 0 HG SER A 35 28.017 29.029 2.506 1.00 12.00 H new ATOM 275 N VAL A 36 25.030 27.810 6.380 1.00 12.00 N ATOM 276 CA VAL A 36 24.810 28.390 7.720 1.00 12.00 C ATOM 277 C VAL A 36 23.530 27.770 8.320 1.00 12.00 C ATOM 278 O VAL A 36 22.980 26.840 7.740 1.00 12.00 O ATOM 279 CB VAL A 36 24.870 29.930 7.620 1.00 12.00 C ATOM 280 CG1 VAL A 36 23.530 30.660 7.430 1.00 12.00 C ATOM 281 CG2 VAL A 36 25.640 30.500 8.810 1.00 12.00 C ATOM 0 H VAL A 36 24.175 27.438 5.966 1.00 12.00 H new ATOM 0 HA VAL A 36 25.595 28.142 8.434 1.00 12.00 H new ATOM 0 HB VAL A 36 25.397 30.124 6.686 1.00 12.00 H new ATOM 0 HG11 VAL A 36 23.706 31.734 7.374 1.00 12.00 H new ATOM 0 HG12 VAL A 36 23.059 30.321 6.508 1.00 12.00 H new ATOM 0 HG13 VAL A 36 22.875 30.443 8.273 1.00 12.00 H new ATOM 0 HG21 VAL A 36 25.678 31.587 8.732 1.00 12.00 H new ATOM 0 HG22 VAL A 36 25.138 30.220 9.736 1.00 12.00 H new ATOM 0 HG23 VAL A 36 26.654 30.101 8.812 1.00 12.00 H new ATOM 282 N ILE A 37 23.100 28.280 9.480 1.00 12.00 N ATOM 283 CA ILE A 37 21.880 27.850 10.200 1.00 12.00 C ATOM 284 C ILE A 37 21.710 26.330 10.400 1.00 12.00 C ATOM 285 O ILE A 37 21.450 25.540 9.490 1.00 12.00 O ATOM 286 CB ILE A 37 20.650 28.650 9.690 1.00 12.00 C ATOM 287 CG1 ILE A 37 20.330 29.820 10.640 1.00 12.00 C ATOM 288 CG2 ILE A 37 19.390 27.860 9.280 1.00 12.00 C ATOM 289 CD1 ILE A 37 19.950 29.420 12.070 1.00 12.00 C ATOM 0 H ILE A 37 23.601 29.025 9.964 1.00 12.00 H new ATOM 0 HA ILE A 37 21.999 28.125 11.248 1.00 12.00 H new ATOM 0 HB ILE A 37 20.981 29.031 8.724 1.00 12.00 H new ATOM 0 HG12 ILE A 37 21.198 30.478 10.683 1.00 12.00 H new ATOM 0 HG13 ILE A 37 19.511 30.399 10.213 1.00 12.00 H new ATOM 0 HG21 ILE A 37 18.618 28.554 8.947 1.00 12.00 H new ATOM 0 HG22 ILE A 37 19.638 27.175 8.469 1.00 12.00 H new ATOM 0 HG23 ILE A 37 19.023 27.292 10.135 1.00 12.00 H new ATOM 0 HD11 ILE A 37 19.744 30.316 12.656 1.00 12.00 H new ATOM 0 HD12 ILE A 37 19.061 28.789 12.047 1.00 12.00 H new ATOM 0 HD13 ILE A 37 20.774 28.870 12.525 1.00 12.00 H new ATOM 290 N ILE A 38 21.990 25.950 11.640 1.00 12.00 N ATOM 291 CA ILE A 38 21.880 24.560 12.120 1.00 12.00 C ATOM 292 C ILE A 38 20.430 24.070 12.010 1.00 12.00 C ATOM 293 O ILE A 38 19.480 24.770 12.380 1.00 12.00 O ATOM 294 CB ILE A 38 22.450 24.520 13.550 1.00 12.00 C ATOM 295 CG1 ILE A 38 23.980 24.700 13.490 1.00 12.00 C ATOM 296 CG2 ILE A 38 22.040 23.270 14.340 1.00 12.00 C ATOM 297 CD1 ILE A 38 24.640 25.020 14.830 1.00 12.00 C ATOM 0 H ILE A 38 22.305 26.601 12.359 1.00 12.00 H new ATOM 0 HA ILE A 38 22.458 23.870 11.506 1.00 12.00 H new ATOM 0 HB ILE A 38 22.012 25.348 14.108 1.00 12.00 H new ATOM 0 HG12 ILE A 38 24.424 23.788 13.091 1.00 12.00 H new ATOM 0 HG13 ILE A 38 24.210 25.501 12.787 1.00 12.00 H new ATOM 0 HG21 ILE A 38 22.478 23.310 15.337 1.00 12.00 H new ATOM 0 HG22 ILE A 38 20.954 23.231 14.422 1.00 12.00 H new ATOM 0 HG23 ILE A 38 22.397 22.379 13.823 1.00 12.00 H new ATOM 0 HD11 ILE A 38 25.715 25.129 14.689 1.00 12.00 H new ATOM 0 HD12 ILE A 38 24.230 25.949 15.225 1.00 12.00 H new ATOM 0 HD13 ILE A 38 24.446 24.210 15.533 1.00 12.00 H new ATOM 298 N LEU A 39 20.280 22.960 11.290 1.00 12.00 N ATOM 299 CA LEU A 39 19.030 22.190 11.280 1.00 12.00 C ATOM 300 C LEU A 39 19.140 20.900 12.090 1.00 12.00 C ATOM 301 O LEU A 39 20.110 20.150 11.970 1.00 12.00 O ATOM 302 CB LEU A 39 18.570 21.860 9.850 1.00 12.00 C ATOM 303 CG LEU A 39 17.690 22.960 9.240 1.00 12.00 C ATOM 304 CD1 LEU A 39 18.460 24.250 8.940 1.00 12.00 C ATOM 305 CD2 LEU A 39 17.090 22.440 7.940 1.00 12.00 C ATOM 0 H LEU A 39 21.014 22.568 10.700 1.00 12.00 H new ATOM 0 HA LEU A 39 18.283 22.830 11.750 1.00 12.00 H new ATOM 0 HB2 LEU A 39 19.445 21.708 9.218 1.00 12.00 H new ATOM 0 HB3 LEU A 39 18.016 20.921 9.859 1.00 12.00 H new ATOM 0 HG LEU A 39 16.922 23.203 9.974 1.00 12.00 H new ATOM 0 HD11 LEU A 39 17.782 24.987 8.511 1.00 12.00 H new ATOM 0 HD12 LEU A 39 18.886 24.643 9.863 1.00 12.00 H new ATOM 0 HD13 LEU A 39 19.262 24.039 8.232 1.00 12.00 H new ATOM 0 HD21 LEU A 39 16.462 23.212 7.495 1.00 12.00 H new ATOM 0 HD22 LEU A 39 17.891 22.180 7.248 1.00 12.00 H new ATOM 0 HD23 LEU A 39 16.487 21.555 8.146 1.00 12.00 H new ATOM 306 N LYS A 40 18.080 20.670 12.850 1.00 12.00 N ATOM 307 CA LYS A 40 17.940 19.510 13.750 1.00 12.00 C ATOM 308 C LYS A 40 16.840 18.580 13.220 1.00 12.00 C ATOM 309 O LYS A 40 15.750 19.020 12.870 1.00 12.00 O ATOM 310 CB LYS A 40 17.630 20.080 15.140 1.00 12.00 C ATOM 311 CG LYS A 40 17.680 19.010 16.240 1.00 12.00 C ATOM 312 CD LYS A 40 17.770 19.670 17.620 1.00 12.00 C ATOM 313 CE LYS A 40 17.720 18.630 18.730 1.00 12.00 C ATOM 314 NZ LYS A 40 18.010 19.270 20.020 1.00 12.00 N ATOM 0 H LYS A 40 17.271 21.291 12.867 1.00 12.00 H new ATOM 0 HA LYS A 40 18.844 18.904 13.804 1.00 12.00 H new ATOM 0 HB2 LYS A 40 18.345 20.869 15.373 1.00 12.00 H new ATOM 0 HB3 LYS A 40 16.641 20.539 15.129 1.00 12.00 H new ATOM 0 HG2 LYS A 40 16.790 18.382 16.187 1.00 12.00 H new ATOM 0 HG3 LYS A 40 18.540 18.358 16.084 1.00 12.00 H new ATOM 0 HD2 LYS A 40 18.696 20.241 17.694 1.00 12.00 H new ATOM 0 HD3 LYS A 40 16.949 20.377 17.743 1.00 12.00 H new ATOM 0 HE2 LYS A 40 16.736 18.161 18.758 1.00 12.00 H new ATOM 0 HE3 LYS A 40 18.444 17.839 18.534 1.00 12.00 H new ATOM 0 HZ1 LYS A 40 17.975 18.557 20.777 1.00 12.00 H new ATOM 0 HZ2 LYS A 40 18.958 19.697 19.990 1.00 12.00 H new ATOM 0 HZ3 LYS A 40 17.303 20.009 20.208 1.00 12.00 H new ATOM 315 N TYR A 41 17.220 17.310 13.090 1.00 12.00 N ATOM 316 CA TYR A 41 16.400 16.280 12.420 1.00 12.00 C ATOM 317 C TYR A 41 16.050 15.110 13.350 1.00 12.00 C ATOM 318 O TYR A 41 16.920 14.450 13.900 1.00 12.00 O ATOM 319 CB TYR A 41 17.130 15.680 11.220 1.00 12.00 C ATOM 320 CG TYR A 41 17.640 16.680 10.190 1.00 12.00 C ATOM 321 CD1 TYR A 41 18.910 17.270 10.380 1.00 12.00 C ATOM 322 CD2 TYR A 41 16.900 16.870 9.000 1.00 12.00 C ATOM 323 CE1 TYR A 41 19.460 18.050 9.350 1.00 12.00 C ATOM 324 CE2 TYR A 41 17.460 17.660 7.970 1.00 12.00 C ATOM 325 CZ TYR A 41 18.740 18.230 8.150 1.00 12.00 C ATOM 326 OH TYR A 41 19.380 18.740 7.070 1.00 12.00 O ATOM 0 H TYR A 41 18.108 16.956 13.445 1.00 12.00 H new ATOM 0 HA TYR A 41 15.491 16.797 12.111 1.00 12.00 H new ATOM 0 HB2 TYR A 41 17.977 15.100 11.586 1.00 12.00 H new ATOM 0 HB3 TYR A 41 16.458 14.983 10.720 1.00 12.00 H new ATOM 0 HD1 TYR A 41 19.450 17.123 11.304 1.00 12.00 H new ATOM 0 HD2 TYR A 41 15.925 16.420 8.880 1.00 12.00 H new ATOM 0 HE1 TYR A 41 20.429 18.510 9.476 1.00 12.00 H new ATOM 0 HE2 TYR A 41 16.914 17.826 7.053 1.00 12.00 H new ATOM 0 HH TYR A 41 18.754 18.804 6.319 1.00 12.00 H new ATOM 327 N ASN A 42 14.780 14.730 13.260 1.00 12.00 N ATOM 328 CA ASN A 42 14.270 13.510 13.920 1.00 12.00 C ATOM 329 C ASN A 42 14.110 12.410 12.870 1.00 12.00 C ATOM 330 O ASN A 42 13.220 12.500 12.020 1.00 12.00 O ATOM 331 CB ASN A 42 12.950 13.800 14.640 1.00 12.00 C ATOM 332 CG ASN A 42 12.400 12.560 15.360 1.00 12.00 C ATOM 333 OD1 ASN A 42 13.110 11.820 16.030 1.00 12.00 O ATOM 334 ND2 ASN A 42 11.140 12.270 15.150 1.00 12.00 N ATOM 0 H ASN A 42 14.073 15.245 12.736 1.00 12.00 H new ATOM 0 HA ASN A 42 14.979 13.173 14.676 1.00 12.00 H new ATOM 0 HB2 ASN A 42 13.101 14.602 15.363 1.00 12.00 H new ATOM 0 HB3 ASN A 42 12.215 14.156 13.918 1.00 12.00 H new ATOM 0 HD21 ASN A 42 10.739 11.420 15.546 1.00 12.00 H new ATOM 0 HD22 ASN A 42 10.559 12.894 14.590 1.00 12.00 H new ATOM 335 N ILE A 43 15.070 11.500 12.850 1.00 12.00 N ATOM 336 CA ILE A 43 15.030 10.330 11.950 1.00 12.00 C ATOM 337 C ILE A 43 14.630 9.110 12.790 1.00 12.00 C ATOM 338 O ILE A 43 15.410 8.610 13.590 1.00 12.00 O ATOM 339 CB ILE A 43 16.350 9.960 11.240 1.00 12.00 C ATOM 340 CG1 ILE A 43 17.240 11.160 10.890 1.00 12.00 C ATOM 341 CG2 ILE A 43 15.970 9.160 9.990 1.00 12.00 C ATOM 342 CD1 ILE A 43 18.640 10.730 10.470 1.00 12.00 C ATOM 0 H ILE A 43 15.897 11.539 13.446 1.00 12.00 H new ATOM 0 HA ILE A 43 14.328 10.604 11.162 1.00 12.00 H new ATOM 0 HB ILE A 43 16.963 9.374 11.925 1.00 12.00 H new ATOM 0 HG12 ILE A 43 16.779 11.730 10.084 1.00 12.00 H new ATOM 0 HG13 ILE A 43 17.308 11.824 11.752 1.00 12.00 H new ATOM 0 HG21 ILE A 43 16.874 8.874 9.452 1.00 12.00 H new ATOM 0 HG22 ILE A 43 15.424 8.263 10.284 1.00 12.00 H new ATOM 0 HG23 ILE A 43 15.341 9.772 9.343 1.00 12.00 H new ATOM 0 HD11 ILE A 43 19.235 11.611 10.231 1.00 12.00 H new ATOM 0 HD12 ILE A 43 19.113 10.183 11.286 1.00 12.00 H new ATOM 0 HD13 ILE A 43 18.575 10.088 9.592 1.00 12.00 H new ATOM 343 N GLN A 44 13.400 8.680 12.620 1.00 12.00 N ATOM 344 CA GLN A 44 12.930 7.470 13.310 1.00 12.00 C ATOM 345 C GLN A 44 12.970 6.260 12.380 1.00 12.00 C ATOM 346 O GLN A 44 12.700 6.400 11.190 1.00 12.00 O ATOM 347 CB GLN A 44 11.550 7.720 13.920 1.00 12.00 C ATOM 348 CG GLN A 44 11.700 8.750 15.050 1.00 12.00 C ATOM 349 CD GLN A 44 10.480 8.830 15.960 1.00 12.00 C ATOM 350 OE1 GLN A 44 9.640 9.710 15.850 1.00 12.00 O ATOM 351 NE2 GLN A 44 10.440 7.960 16.940 1.00 12.00 N ATOM 0 H GLN A 44 12.707 9.132 12.023 1.00 12.00 H new ATOM 0 HA GLN A 44 13.604 7.235 14.134 1.00 12.00 H new ATOM 0 HB2 GLN A 44 10.860 8.088 13.160 1.00 12.00 H new ATOM 0 HB3 GLN A 44 11.132 6.791 14.307 1.00 12.00 H new ATOM 0 HG2 GLN A 44 12.575 8.497 15.649 1.00 12.00 H new ATOM 0 HG3 GLN A 44 11.885 9.732 14.615 1.00 12.00 H new ATOM 0 HE21 GLN A 44 11.154 7.235 17.008 1.00 12.00 H new ATOM 0 HE22 GLN A 44 9.694 8.008 17.634 1.00 12.00 H new ATOM 352 N TYR A 45 13.540 5.180 12.900 1.00 12.00 N ATOM 353 CA TYR A 45 13.680 3.910 12.160 1.00 12.00 C ATOM 354 C TYR A 45 12.870 2.790 12.830 1.00 12.00 C ATOM 355 O TYR A 45 12.480 2.940 13.980 1.00 12.00 O ATOM 356 CB TYR A 45 15.160 3.490 12.040 1.00 12.00 C ATOM 357 CG TYR A 45 15.790 2.790 13.250 1.00 12.00 C ATOM 358 CD1 TYR A 45 16.404 3.562 14.262 1.00 12.00 C ATOM 359 CD2 TYR A 45 15.715 1.382 13.346 1.00 12.00 C ATOM 360 CE1 TYR A 45 16.960 2.918 15.382 1.00 12.00 C ATOM 361 CE2 TYR A 45 16.258 0.741 14.470 1.00 12.00 C ATOM 362 CZ TYR A 45 16.875 1.511 15.469 1.00 12.00 C ATOM 363 OH TYR A 45 17.511 0.861 16.483 1.00 12.00 O ATOM 0 H TYR A 45 13.921 5.149 13.845 1.00 12.00 H new ATOM 0 HA TYR A 45 13.287 4.075 11.157 1.00 12.00 H new ATOM 0 HB2 TYR A 45 15.254 2.828 11.180 1.00 12.00 H new ATOM 0 HB3 TYR A 45 15.748 4.382 11.822 1.00 12.00 H new ATOM 0 HD1 TYR A 45 16.446 4.638 14.176 1.00 12.00 H new ATOM 0 HD2 TYR A 45 15.245 0.806 12.563 1.00 12.00 H new ATOM 0 HE1 TYR A 45 17.443 3.489 16.161 1.00 12.00 H new ATOM 0 HE2 TYR A 45 16.202 -0.333 14.566 1.00 12.00 H new ATOM 0 HH TYR A 45 17.354 -0.103 16.403 1.00 12.00 H new ATOM 364 N ARG A 46 12.600 1.740 12.060 1.00 12.00 N ATOM 365 CA ARG A 46 12.090 0.430 12.550 1.00 12.00 C ATOM 366 C ARG A 46 11.990 -0.580 11.400 1.00 12.00 C ATOM 367 O ARG A 46 12.180 -0.230 10.240 1.00 12.00 O ATOM 368 CB ARG A 46 10.730 0.530 13.280 1.00 12.00 C ATOM 369 CG ARG A 46 9.630 1.040 12.360 1.00 12.00 C ATOM 370 CD ARG A 46 8.240 1.040 13.010 1.00 12.00 C ATOM 371 NE ARG A 46 7.150 0.490 12.180 1.00 12.00 N ATOM 372 CZ ARG A 46 7.000 0.410 10.850 1.00 12.00 C ATOM 373 NH1 ARG A 46 7.860 0.890 9.980 1.00 12.00 N ATOM 374 NH2 ARG A 46 6.000 -0.310 10.370 1.00 12.00 N ATOM 0 H ARG A 46 12.728 1.761 11.048 1.00 12.00 H new ATOM 0 HA ARG A 46 12.818 0.084 13.284 1.00 12.00 H new ATOM 0 HB2 ARG A 46 10.453 -0.450 13.669 1.00 12.00 H new ATOM 0 HB3 ARG A 46 10.826 1.197 14.137 1.00 12.00 H new ATOM 0 HG2 ARG A 46 9.874 2.054 12.042 1.00 12.00 H new ATOM 0 HG3 ARG A 46 9.603 0.422 11.462 1.00 12.00 H new ATOM 0 HD2 ARG A 46 8.291 0.468 13.937 1.00 12.00 H new ATOM 0 HD3 ARG A 46 7.985 2.064 13.281 1.00 12.00 H new ATOM 0 HE ARG A 46 6.372 0.102 12.713 1.00 12.00 H new ATOM 0 HH11 ARG A 46 8.706 1.359 10.304 1.00 12.00 H new ATOM 0 HH12 ARG A 46 7.682 0.794 8.980 1.00 12.00 H new ATOM 0 HH21 ARG A 46 5.364 -0.789 11.008 1.00 12.00 H new ATOM 0 HH22 ARG A 46 5.865 -0.387 9.362 1.00 12.00 H new ATOM 375 N THR A 47 11.750 -1.840 11.760 1.00 12.00 N ATOM 376 CA THR A 47 11.430 -2.910 10.790 1.00 12.00 C ATOM 377 C THR A 47 10.020 -2.720 10.190 1.00 12.00 C ATOM 378 O THR A 47 9.090 -2.320 10.890 1.00 12.00 O ATOM 379 CB THR A 47 11.590 -4.320 11.400 1.00 12.00 C ATOM 380 OG1 THR A 47 11.220 -5.310 10.430 1.00 12.00 O ATOM 381 CG2 THR A 47 10.810 -4.540 12.700 1.00 12.00 C ATOM 0 H THR A 47 11.770 -2.157 12.729 1.00 12.00 H new ATOM 0 HA THR A 47 12.155 -2.829 9.980 1.00 12.00 H new ATOM 0 HB THR A 47 12.642 -4.416 11.669 1.00 12.00 H new ATOM 0 HG1 THR A 47 11.324 -6.204 10.819 1.00 12.00 H new ATOM 0 HG21 THR A 47 10.979 -5.555 13.058 1.00 12.00 H new ATOM 0 HG22 THR A 47 11.149 -3.828 13.453 1.00 12.00 H new ATOM 0 HG23 THR A 47 9.746 -4.393 12.515 1.00 12.00 H new ATOM 382 N LYS A 48 9.890 -3.140 8.930 1.00 12.00 N ATOM 383 CA LYS A 48 8.660 -3.120 8.110 1.00 12.00 C ATOM 384 C LYS A 48 7.370 -3.580 8.830 1.00 12.00 C ATOM 385 O LYS A 48 6.300 -3.020 8.590 1.00 12.00 O ATOM 386 CB LYS A 48 8.970 -3.990 6.890 1.00 12.00 C ATOM 387 CG LYS A 48 7.890 -4.110 5.800 1.00 12.00 C ATOM 388 CD LYS A 48 7.470 -2.760 5.200 1.00 12.00 C ATOM 389 CE LYS A 48 6.640 -2.930 3.930 1.00 12.00 C ATOM 390 NZ LYS A 48 5.440 -3.740 4.150 1.00 12.00 N ATOM 0 H LYS A 48 10.682 -3.527 8.418 1.00 12.00 H new ATOM 0 HA LYS A 48 8.424 -2.088 7.849 1.00 12.00 H new ATOM 0 HB2 LYS A 48 9.875 -3.602 6.423 1.00 12.00 H new ATOM 0 HB3 LYS A 48 9.200 -4.994 7.245 1.00 12.00 H new ATOM 0 HG2 LYS A 48 8.261 -4.753 5.002 1.00 12.00 H new ATOM 0 HG3 LYS A 48 7.012 -4.599 6.222 1.00 12.00 H new ATOM 0 HD2 LYS A 48 6.894 -2.200 5.937 1.00 12.00 H new ATOM 0 HD3 LYS A 48 8.359 -2.171 4.975 1.00 12.00 H new ATOM 0 HE2 LYS A 48 6.349 -1.949 3.556 1.00 12.00 H new ATOM 0 HE3 LYS A 48 7.253 -3.396 3.159 1.00 12.00 H new ATOM 0 HZ1 LYS A 48 4.868 -3.756 3.282 1.00 12.00 H new ATOM 0 HZ2 LYS A 48 5.717 -4.711 4.400 1.00 12.00 H new ATOM 0 HZ3 LYS A 48 4.881 -3.329 4.925 1.00 12.00 H new ATOM 391 N ASP A 49 7.510 -4.520 9.750 1.00 12.00 N ATOM 392 CA ASP A 49 6.370 -5.140 10.460 1.00 12.00 C ATOM 393 C ASP A 49 6.200 -4.680 11.930 1.00 12.00 C ATOM 394 O ASP A 49 5.430 -5.270 12.670 1.00 12.00 O ATOM 395 CB ASP A 49 6.550 -6.660 10.340 1.00 12.00 C ATOM 396 CG ASP A 49 5.340 -7.470 10.820 1.00 12.00 C ATOM 397 OD1 ASP A 49 4.350 -7.510 10.070 1.00 12.00 O ATOM 398 OD2 ASP A 49 5.490 -8.130 11.880 1.00 12.00 O ATOM 0 H ASP A 49 8.418 -4.886 10.037 1.00 12.00 H new ATOM 0 HA ASP A 49 5.441 -4.813 9.994 1.00 12.00 H new ATOM 0 HB2 ASP A 49 6.752 -6.911 9.299 1.00 12.00 H new ATOM 0 HB3 ASP A 49 7.426 -6.959 10.916 1.00 12.00 H new ATOM 399 N ALA A 50 6.850 -3.580 12.320 1.00 12.00 N ATOM 400 CA ALA A 50 6.770 -3.090 13.710 1.00 12.00 C ATOM 401 C ALA A 50 5.590 -2.140 13.940 1.00 12.00 C ATOM 402 O ALA A 50 5.180 -1.390 13.060 1.00 12.00 O ATOM 403 CB ALA A 50 8.090 -2.430 14.120 1.00 12.00 C ATOM 0 H ALA A 50 7.433 -3.013 11.705 1.00 12.00 H new ATOM 0 HA ALA A 50 6.594 -3.959 14.344 1.00 12.00 H new ATOM 0 HB1 ALA A 50 8.015 -2.074 15.147 1.00 12.00 H new ATOM 0 HB2 ALA A 50 8.899 -3.157 14.046 1.00 12.00 H new ATOM 0 HB3 ALA A 50 8.297 -1.589 13.459 1.00 12.00 H new ATOM 404 N SER A 51 5.000 -2.260 15.130 1.00 12.00 N ATOM 405 CA SER A 51 3.860 -1.430 15.560 1.00 12.00 C ATOM 406 C SER A 51 4.230 0.050 15.760 1.00 12.00 C ATOM 407 O SER A 51 3.620 0.940 15.180 1.00 12.00 O ATOM 408 CB SER A 51 3.280 -1.980 16.870 1.00 12.00 C ATOM 409 OG SER A 51 3.200 -3.400 16.820 1.00 12.00 O ATOM 0 H SER A 51 5.297 -2.938 15.831 1.00 12.00 H new ATOM 0 HA SER A 51 3.123 -1.477 14.758 1.00 12.00 H new ATOM 0 HB2 SER A 51 3.905 -1.674 17.709 1.00 12.00 H new ATOM 0 HB3 SER A 51 2.289 -1.559 17.041 1.00 12.00 H new ATOM 0 HG SER A 51 2.830 -3.737 17.663 1.00 12.00 H new ATOM 410 N THR A 52 5.240 0.270 16.600 1.00 12.00 N ATOM 411 CA THR A 52 5.740 1.610 16.980 1.00 12.00 C ATOM 412 C THR A 52 7.220 1.800 16.620 1.00 12.00 C ATOM 413 O THR A 52 7.980 0.840 16.520 1.00 12.00 O ATOM 414 CB THR A 52 5.500 1.880 18.470 1.00 12.00 C ATOM 415 OG1 THR A 52 5.910 0.740 19.240 1.00 12.00 O ATOM 416 CG2 THR A 52 4.040 2.250 18.750 1.00 12.00 C ATOM 0 H THR A 52 5.751 -0.489 17.051 1.00 12.00 H new ATOM 0 HA THR A 52 5.174 2.340 16.401 1.00 12.00 H new ATOM 0 HB THR A 52 6.102 2.739 18.768 1.00 12.00 H new ATOM 0 HG1 THR A 52 5.757 0.916 20.192 1.00 12.00 H new ATOM 0 HG21 THR A 52 3.909 2.434 19.816 1.00 12.00 H new ATOM 0 HG22 THR A 52 3.779 3.149 18.192 1.00 12.00 H new ATOM 0 HG23 THR A 52 3.391 1.430 18.441 1.00 12.00 H new ATOM 417 N TRP A 53 7.580 3.070 16.470 1.00 12.00 N ATOM 418 CA TRP A 53 8.880 3.510 15.930 1.00 12.00 C ATOM 419 C TRP A 53 10.000 3.630 16.960 1.00 12.00 C ATOM 420 O TRP A 53 9.780 4.010 18.110 1.00 12.00 O ATOM 421 CB TRP A 53 8.670 4.840 15.200 1.00 12.00 C ATOM 422 CG TRP A 53 7.900 4.680 13.870 1.00 12.00 C ATOM 423 CD1 TRP A 53 6.600 4.400 13.730 1.00 12.00 C ATOM 424 CD2 TRP A 53 8.460 4.650 12.600 1.00 12.00 C ATOM 425 NE1 TRP A 53 6.320 4.170 12.450 1.00 12.00 N ATOM 426 CE2 TRP A 53 7.410 4.320 11.720 1.00 12.00 C ATOM 427 CE3 TRP A 53 9.770 4.850 12.120 1.00 12.00 C ATOM 428 CZ2 TRP A 53 7.650 4.210 10.330 1.00 12.00 C ATOM 429 CZ3 TRP A 53 10.010 4.720 10.730 1.00 12.00 C ATOM 430 CH2 TRP A 53 8.960 4.410 9.850 1.00 12.00 C ATOM 0 H TRP A 53 6.969 3.846 16.723 1.00 12.00 H new ATOM 0 HA TRP A 53 9.223 2.729 15.251 1.00 12.00 H new ATOM 0 HB2 TRP A 53 8.124 5.523 15.850 1.00 12.00 H new ATOM 0 HB3 TRP A 53 9.640 5.296 15.000 1.00 12.00 H new ATOM 0 HD1 TRP A 53 5.883 4.366 14.537 1.00 12.00 H new ATOM 0 HE1 TRP A 53 5.401 3.916 12.087 1.00 12.00 H new ATOM 0 HE3 TRP A 53 10.574 5.097 12.798 1.00 12.00 H new ATOM 0 HZ2 TRP A 53 6.844 3.977 9.649 1.00 12.00 H new ATOM 0 HZ3 TRP A 53 11.009 4.860 10.344 1.00 12.00 H new ATOM 0 HH2 TRP A 53 9.159 4.324 8.792 1.00 12.00 H new ATOM 431 N SER A 54 11.210 3.340 16.480 1.00 12.00 N ATOM 432 CA SER A 54 12.470 3.490 17.230 1.00 12.00 C ATOM 433 C SER A 54 13.120 4.850 16.850 1.00 12.00 C ATOM 434 O SER A 54 12.400 5.770 16.470 1.00 12.00 O ATOM 435 CB SER A 54 13.360 2.270 16.950 1.00 12.00 C ATOM 436 OG SER A 54 14.580 2.300 17.690 1.00 12.00 O ATOM 0 H SER A 54 11.351 2.984 15.534 1.00 12.00 H new ATOM 0 HA SER A 54 12.306 3.514 18.307 1.00 12.00 H new ATOM 0 HB2 SER A 54 12.812 1.361 17.197 1.00 12.00 H new ATOM 0 HB3 SER A 54 13.586 2.227 15.885 1.00 12.00 H new ATOM 0 HG SER A 54 15.338 2.215 17.075 1.00 12.00 H new ATOM 437 N GLN A 55 14.450 4.990 16.930 1.00 12.00 N ATOM 438 CA GLN A 55 15.120 6.310 16.830 1.00 12.00 C ATOM 439 C GLN A 55 16.590 6.340 16.380 1.00 12.00 C ATOM 440 O GLN A 55 17.430 5.570 16.860 1.00 12.00 O ATOM 441 CB GLN A 55 15.010 7.040 18.180 1.00 12.00 C ATOM 442 CG GLN A 55 15.520 6.190 19.360 1.00 12.00 C ATOM 443 CD GLN A 55 15.590 6.930 20.690 1.00 12.00 C ATOM 444 OE1 GLN A 55 14.780 7.770 21.050 1.00 12.00 O ATOM 445 NE2 GLN A 55 16.570 6.560 21.490 1.00 12.00 N ATOM 0 H GLN A 55 15.091 4.208 17.064 1.00 12.00 H new ATOM 0 HA GLN A 55 14.582 6.802 16.020 1.00 12.00 H new ATOM 0 HB2 GLN A 55 15.579 7.968 18.134 1.00 12.00 H new ATOM 0 HB3 GLN A 55 13.970 7.313 18.357 1.00 12.00 H new ATOM 0 HG2 GLN A 55 14.869 5.324 19.475 1.00 12.00 H new ATOM 0 HG3 GLN A 55 16.513 5.812 19.116 1.00 12.00 H new ATOM 0 HE21 GLN A 55 17.242 5.858 21.182 1.00 12.00 H new ATOM 0 HE22 GLN A 55 16.656 6.976 22.417 1.00 12.00 H new ATOM 446 N ILE A 56 16.880 7.280 15.490 1.00 12.00 N ATOM 447 CA ILE A 56 18.240 7.810 15.250 1.00 12.00 C ATOM 448 C ILE A 56 18.190 9.250 15.800 1.00 12.00 C ATOM 449 O ILE A 56 17.650 10.150 15.150 1.00 12.00 O ATOM 450 CB ILE A 56 18.640 7.760 13.750 1.00 12.00 C ATOM 451 CG1 ILE A 56 18.670 6.330 13.180 1.00 12.00 C ATOM 452 CG2 ILE A 56 19.950 8.520 13.460 1.00 12.00 C ATOM 453 CD1 ILE A 56 19.650 5.360 13.840 1.00 12.00 C ATOM 0 H ILE A 56 16.171 7.712 14.897 1.00 12.00 H new ATOM 0 HA ILE A 56 19.006 7.211 15.743 1.00 12.00 H new ATOM 0 HB ILE A 56 17.845 8.285 13.220 1.00 12.00 H new ATOM 0 HG12 ILE A 56 17.667 5.909 13.257 1.00 12.00 H new ATOM 0 HG13 ILE A 56 18.910 6.389 12.118 1.00 12.00 H new ATOM 0 HG21 ILE A 56 20.182 8.453 12.397 1.00 12.00 H new ATOM 0 HG22 ILE A 56 19.833 9.567 13.740 1.00 12.00 H new ATOM 0 HG23 ILE A 56 20.762 8.079 14.037 1.00 12.00 H new ATOM 0 HD11 ILE A 56 19.581 4.387 13.354 1.00 12.00 H new ATOM 0 HD12 ILE A 56 20.665 5.744 13.740 1.00 12.00 H new ATOM 0 HD13 ILE A 56 19.404 5.257 14.897 1.00 12.00 H new ATOM 454 N PRO A 57 18.690 9.450 17.030 1.00 12.00 N ATOM 455 CA PRO A 57 18.620 10.740 17.740 1.00 12.00 C ATOM 456 C PRO A 57 19.350 11.870 17.000 1.00 12.00 C ATOM 457 O PRO A 57 20.360 11.610 16.330 1.00 12.00 O ATOM 458 CB PRO A 57 19.220 10.460 19.120 1.00 12.00 C ATOM 459 CG PRO A 57 20.180 9.300 18.880 1.00 12.00 C ATOM 460 CD PRO A 57 19.460 8.460 17.830 1.00 12.00 C ATOM 0 HA PRO A 57 17.594 11.101 17.810 1.00 12.00 H new ATOM 0 HB2 PRO A 57 19.741 11.333 19.513 1.00 12.00 H new ATOM 0 HB3 PRO A 57 18.449 10.196 19.844 1.00 12.00 H new ATOM 0 HG2 PRO A 57 21.149 9.647 18.522 1.00 12.00 H new ATOM 0 HG3 PRO A 57 20.362 8.733 19.793 1.00 12.00 H new ATOM 0 HD2 PRO A 57 20.166 7.910 17.208 1.00 12.00 H new ATOM 0 HD3 PRO A 57 18.802 7.724 18.292 1.00 12.00 H new ATOM 461 N PRO A 58 18.840 13.110 17.100 1.00 12.00 N ATOM 462 CA PRO A 58 19.510 14.310 16.550 1.00 12.00 C ATOM 463 C PRO A 58 20.820 14.670 17.280 1.00 12.00 C ATOM 464 O PRO A 58 20.840 15.410 18.260 1.00 12.00 O ATOM 465 CB PRO A 58 18.460 15.410 16.610 1.00 12.00 C ATOM 466 CG PRO A 58 17.510 14.970 17.720 1.00 12.00 C ATOM 467 CD PRO A 58 17.490 13.450 17.590 1.00 12.00 C ATOM 0 HA PRO A 58 19.849 14.142 15.528 1.00 12.00 H new ATOM 0 HB2 PRO A 58 18.910 16.377 16.833 1.00 12.00 H new ATOM 0 HB3 PRO A 58 17.938 15.513 15.659 1.00 12.00 H new ATOM 0 HG2 PRO A 58 17.866 15.284 18.701 1.00 12.00 H new ATOM 0 HG3 PRO A 58 16.516 15.397 17.590 1.00 12.00 H new ATOM 0 HD2 PRO A 58 17.282 12.971 18.547 1.00 12.00 H new ATOM 0 HD3 PRO A 58 16.719 13.120 16.894 1.00 12.00 H new ATOM 468 N GLU A 59 21.830 13.890 16.930 1.00 12.00 N ATOM 469 CA GLU A 59 23.230 14.080 17.380 1.00 12.00 C ATOM 470 C GLU A 59 24.140 14.290 16.160 1.00 12.00 C ATOM 471 O GLU A 59 24.660 15.390 15.960 1.00 12.00 O ATOM 472 CB GLU A 59 23.700 12.920 18.260 1.00 12.00 C ATOM 473 CG GLU A 59 22.990 12.910 19.610 1.00 12.00 C ATOM 474 CD GLU A 59 23.530 11.810 20.520 1.00 12.00 C ATOM 475 OE1 GLU A 59 24.520 12.090 21.240 1.00 12.00 O ATOM 476 OE2 GLU A 59 22.960 10.700 20.470 1.00 12.00 O ATOM 0 H GLU A 59 21.714 13.086 16.313 1.00 12.00 H new ATOM 0 HA GLU A 59 23.283 14.973 18.002 1.00 12.00 H new ATOM 0 HB2 GLU A 59 23.517 11.976 17.746 1.00 12.00 H new ATOM 0 HB3 GLU A 59 24.776 12.995 18.416 1.00 12.00 H new ATOM 0 HG2 GLU A 59 23.115 13.878 20.095 1.00 12.00 H new ATOM 0 HG3 GLU A 59 21.920 12.765 19.458 1.00 12.00 H new ATOM 477 N ASP A 60 24.230 13.270 15.310 1.00 12.00 N ATOM 478 CA ASP A 60 24.790 13.410 13.940 1.00 12.00 C ATOM 479 C ASP A 60 23.950 14.440 13.160 1.00 12.00 C ATOM 480 O ASP A 60 24.440 15.490 12.770 1.00 12.00 O ATOM 481 CB ASP A 60 24.770 12.070 13.190 1.00 12.00 C ATOM 482 CG ASP A 60 25.590 10.980 13.870 1.00 12.00 C ATOM 483 OD1 ASP A 60 25.060 10.450 14.880 1.00 12.00 O ATOM 484 OD2 ASP A 60 26.710 10.720 13.410 1.00 12.00 O ATOM 0 H ASP A 60 23.923 12.324 15.535 1.00 12.00 H new ATOM 0 HA ASP A 60 25.826 13.741 14.021 1.00 12.00 H new ATOM 0 HB2 ASP A 60 23.738 11.731 13.095 1.00 12.00 H new ATOM 0 HB3 ASP A 60 25.150 12.222 12.180 1.00 12.00 H new ATOM 485 N THR A 61 22.640 14.230 13.250 1.00 12.00 N ATOM 486 CA THR A 61 21.590 15.050 12.630 1.00 12.00 C ATOM 487 C THR A 61 21.120 16.230 13.490 1.00 12.00 C ATOM 488 O THR A 61 19.940 16.560 13.560 1.00 12.00 O ATOM 489 CB THR A 61 20.430 14.110 12.280 1.00 12.00 C ATOM 490 OG1 THR A 61 20.220 13.170 13.340 1.00 12.00 O ATOM 491 CG2 THR A 61 20.710 13.420 10.950 1.00 12.00 C ATOM 0 H THR A 61 22.258 13.448 13.781 1.00 12.00 H new ATOM 0 HA THR A 61 22.001 15.524 11.739 1.00 12.00 H new ATOM 0 HB THR A 61 19.511 14.685 12.169 1.00 12.00 H new ATOM 0 HG1 THR A 61 19.476 12.576 13.108 1.00 12.00 H new ATOM 0 HG21 THR A 61 19.883 12.753 10.705 1.00 12.00 H new ATOM 0 HG22 THR A 61 20.816 14.170 10.166 1.00 12.00 H new ATOM 0 HG23 THR A 61 21.631 12.843 11.026 1.00 12.00 H new ATOM 492 N ALA A 62 22.110 16.890 14.080 1.00 12.00 N ATOM 493 CA ALA A 62 21.900 18.110 14.880 1.00 12.00 C ATOM 494 C ALA A 62 22.600 19.360 14.290 1.00 12.00 C ATOM 495 O ALA A 62 22.730 20.370 14.980 1.00 12.00 O ATOM 496 CB ALA A 62 22.370 17.850 16.320 1.00 12.00 C ATOM 0 H ALA A 62 23.086 16.601 14.022 1.00 12.00 H new ATOM 0 HA ALA A 62 20.834 18.335 14.864 1.00 12.00 H new ATOM 0 HB1 ALA A 62 22.219 18.747 16.920 1.00 12.00 H new ATOM 0 HB2 ALA A 62 21.797 17.027 16.747 1.00 12.00 H new ATOM 0 HB3 ALA A 62 23.429 17.591 16.316 1.00 12.00 H new ATOM 497 N SER A 63 23.040 19.260 13.030 1.00 12.00 N ATOM 498 CA SER A 63 23.660 20.370 12.280 1.00 12.00 C ATOM 499 C SER A 63 23.700 20.050 10.770 1.00 12.00 C ATOM 500 O SER A 63 24.570 19.310 10.320 1.00 12.00 O ATOM 501 CB SER A 63 25.090 20.640 12.780 1.00 12.00 C ATOM 502 OG SER A 63 25.590 21.850 12.180 1.00 12.00 O ATOM 0 H SER A 63 22.977 18.396 12.491 1.00 12.00 H new ATOM 0 HA SER A 63 23.052 21.260 12.445 1.00 12.00 H new ATOM 0 HB2 SER A 63 25.095 20.731 13.866 1.00 12.00 H new ATOM 0 HB3 SER A 63 25.739 19.801 12.527 1.00 12.00 H new ATOM 0 HG SER A 63 26.500 22.022 12.500 1.00 12.00 H new ATOM 503 N THR A 64 22.550 20.300 10.150 1.00 12.00 N ATOM 504 CA THR A 64 22.300 20.270 8.680 1.00 12.00 C ATOM 505 C THR A 64 23.070 19.160 7.930 1.00 12.00 C ATOM 506 O THR A 64 24.180 19.370 7.440 1.00 12.00 O ATOM 507 CB THR A 64 22.510 21.660 8.070 1.00 12.00 C ATOM 508 OG1 THR A 64 21.810 22.630 8.870 1.00 12.00 O ATOM 509 CG2 THR A 64 21.960 21.750 6.640 1.00 12.00 C ATOM 0 H THR A 64 21.709 20.544 10.674 1.00 12.00 H new ATOM 0 HA THR A 64 21.253 19.998 8.547 1.00 12.00 H new ATOM 0 HB THR A 64 23.583 21.851 8.046 1.00 12.00 H new ATOM 0 HG1 THR A 64 22.140 23.528 8.659 1.00 12.00 H new ATOM 0 HG21 THR A 64 22.130 22.752 6.247 1.00 12.00 H new ATOM 0 HG22 THR A 64 22.468 21.021 6.008 1.00 12.00 H new ATOM 0 HG23 THR A 64 20.890 21.540 6.648 1.00 12.00 H new ATOM 510 N ARG A 65 22.360 18.060 7.690 1.00 12.00 N ATOM 511 CA ARG A 65 22.980 16.790 7.260 1.00 12.00 C ATOM 512 C ARG A 65 22.890 16.410 5.780 1.00 12.00 C ATOM 513 O ARG A 65 23.890 15.960 5.230 1.00 12.00 O ATOM 514 CB ARG A 65 22.470 15.630 8.110 1.00 12.00 C ATOM 515 CG ARG A 65 23.320 15.480 9.360 1.00 12.00 C ATOM 516 CD ARG A 65 24.630 14.750 9.060 1.00 12.00 C ATOM 517 NE ARG A 65 25.620 15.210 10.040 1.00 12.00 N ATOM 518 CZ ARG A 65 26.640 16.030 9.790 1.00 12.00 C ATOM 519 NH1 ARG A 65 26.890 16.500 8.580 1.00 12.00 N ATOM 520 NH2 ARG A 65 27.280 16.590 10.810 1.00 12.00 N ATOM 0 H ARG A 65 21.345 18.014 7.785 1.00 12.00 H new ATOM 0 HA ARG A 65 24.041 16.984 7.415 1.00 12.00 H new ATOM 0 HB2 ARG A 65 21.430 15.803 8.387 1.00 12.00 H new ATOM 0 HB3 ARG A 65 22.496 14.707 7.531 1.00 12.00 H new ATOM 0 HG2 ARG A 65 23.537 16.464 9.774 1.00 12.00 H new ATOM 0 HG3 ARG A 65 22.761 14.931 10.118 1.00 12.00 H new ATOM 0 HD2 ARG A 65 24.493 13.671 9.130 1.00 12.00 H new ATOM 0 HD3 ARG A 65 24.966 14.964 8.045 1.00 12.00 H new ATOM 0 HE ARG A 65 25.519 14.872 10.997 1.00 12.00 H new ATOM 0 HH11 ARG A 65 26.292 16.237 7.797 1.00 12.00 H new ATOM 0 HH12 ARG A 65 27.681 17.126 8.429 1.00 12.00 H new ATOM 0 HH21 ARG A 65 26.989 16.390 11.767 1.00 12.00 H new ATOM 0 HH22 ARG A 65 28.063 17.220 10.637 1.00 12.00 H new ATOM 521 N SER A 66 21.650 16.350 5.280 1.00 12.00 N ATOM 522 CA SER A 66 21.250 15.850 3.940 1.00 12.00 C ATOM 523 C SER A 66 21.570 14.370 3.620 1.00 12.00 C ATOM 524 O SER A 66 20.990 13.800 2.700 1.00 12.00 O ATOM 525 CB SER A 66 21.610 16.790 2.780 1.00 12.00 C ATOM 526 OG SER A 66 23.010 17.010 2.680 1.00 12.00 O ATOM 0 H SER A 66 20.846 16.665 5.823 1.00 12.00 H new ATOM 0 HA SER A 66 20.164 15.862 4.031 1.00 12.00 H new ATOM 0 HB2 SER A 66 21.243 16.367 1.845 1.00 12.00 H new ATOM 0 HB3 SER A 66 21.103 17.745 2.918 1.00 12.00 H new ATOM 0 HG SER A 66 23.466 16.555 3.419 1.00 12.00 H new ATOM 527 N SER A 67 22.420 13.730 4.420 1.00 12.00 N ATOM 528 CA SER A 67 22.680 12.280 4.340 1.00 12.00 C ATOM 529 C SER A 67 23.080 11.680 5.700 1.00 12.00 C ATOM 530 O SER A 67 23.460 12.400 6.620 1.00 12.00 O ATOM 531 CB SER A 67 23.780 11.970 3.320 1.00 12.00 C ATOM 532 OG SER A 67 25.040 12.490 3.770 1.00 12.00 O ATOM 0 H SER A 67 22.956 14.200 5.150 1.00 12.00 H new ATOM 0 HA SER A 67 21.743 11.823 4.022 1.00 12.00 H new ATOM 0 HB2 SER A 67 23.856 10.893 3.173 1.00 12.00 H new ATOM 0 HB3 SER A 67 23.523 12.406 2.355 1.00 12.00 H new ATOM 0 HG SER A 67 25.734 12.283 3.110 1.00 12.00 H new ATOM 533 N PHE A 68 22.770 10.390 5.840 1.00 12.00 N ATOM 534 CA PHE A 68 23.220 9.550 6.970 1.00 12.00 C ATOM 535 C PHE A 68 23.270 8.060 6.610 1.00 12.00 C ATOM 536 O PHE A 68 22.280 7.440 6.240 1.00 12.00 O ATOM 537 CB PHE A 68 22.350 9.760 8.220 1.00 12.00 C ATOM 538 CG PHE A 68 22.910 9.080 9.470 1.00 12.00 C ATOM 539 CD1 PHE A 68 24.260 9.300 9.870 1.00 12.00 C ATOM 540 CD2 PHE A 68 22.110 8.120 10.140 1.00 12.00 C ATOM 541 CE1 PHE A 68 24.810 8.540 10.920 1.00 12.00 C ATOM 542 CE2 PHE A 68 22.660 7.360 11.190 1.00 12.00 C ATOM 543 CZ PHE A 68 24.000 7.580 11.580 1.00 12.00 C ATOM 0 H PHE A 68 22.192 9.885 5.168 1.00 12.00 H new ATOM 0 HA PHE A 68 24.236 9.873 7.196 1.00 12.00 H new ATOM 0 HB2 PHE A 68 22.252 10.829 8.410 1.00 12.00 H new ATOM 0 HB3 PHE A 68 21.348 9.377 8.025 1.00 12.00 H new ATOM 0 HD1 PHE A 68 24.859 10.047 9.370 1.00 12.00 H new ATOM 0 HD2 PHE A 68 21.081 7.972 9.846 1.00 12.00 H new ATOM 0 HE1 PHE A 68 25.837 8.686 11.220 1.00 12.00 H new ATOM 0 HE2 PHE A 68 22.062 6.615 11.693 1.00 12.00 H new ATOM 0 HZ PHE A 68 24.416 7.007 12.396 1.00 12.00 H new ATOM 544 N THR A 69 24.480 7.520 6.740 1.00 12.00 N ATOM 545 CA THR A 69 24.770 6.090 6.530 1.00 12.00 C ATOM 546 C THR A 69 24.340 5.300 7.780 1.00 12.00 C ATOM 547 O THR A 69 25.070 5.210 8.770 1.00 12.00 O ATOM 548 CB THR A 69 26.270 5.910 6.270 1.00 12.00 C ATOM 549 OG1 THR A 69 26.730 6.960 5.410 1.00 12.00 O ATOM 550 CG2 THR A 69 26.570 4.560 5.610 1.00 12.00 C ATOM 0 H THR A 69 25.303 8.065 6.998 1.00 12.00 H new ATOM 0 HA THR A 69 24.218 5.717 5.668 1.00 12.00 H new ATOM 0 HB THR A 69 26.785 5.944 7.230 1.00 12.00 H new ATOM 0 HG1 THR A 69 27.689 6.849 5.243 1.00 12.00 H new ATOM 0 HG21 THR A 69 27.643 4.468 5.441 1.00 12.00 H new ATOM 0 HG22 THR A 69 26.235 3.754 6.262 1.00 12.00 H new ATOM 0 HG23 THR A 69 26.046 4.497 4.656 1.00 12.00 H new ATOM 551 N VAL A 70 23.130 4.740 7.710 1.00 12.00 N ATOM 552 CA VAL A 70 22.510 4.020 8.840 1.00 12.00 C ATOM 553 C VAL A 70 23.060 2.590 8.890 1.00 12.00 C ATOM 554 O VAL A 70 22.930 1.820 7.930 1.00 12.00 O ATOM 555 CB VAL A 70 20.970 4.010 8.750 1.00 12.00 C ATOM 556 CG1 VAL A 70 20.370 3.490 10.060 1.00 12.00 C ATOM 557 CG2 VAL A 70 20.370 5.390 8.480 1.00 12.00 C ATOM 0 H VAL A 70 22.548 4.769 6.873 1.00 12.00 H new ATOM 0 HA VAL A 70 22.765 4.545 9.760 1.00 12.00 H new ATOM 0 HB VAL A 70 20.726 3.360 7.910 1.00 12.00 H new ATOM 0 HG11 VAL A 70 19.283 3.487 9.986 1.00 12.00 H new ATOM 0 HG12 VAL A 70 20.724 2.476 10.245 1.00 12.00 H new ATOM 0 HG13 VAL A 70 20.676 4.137 10.882 1.00 12.00 H new ATOM 0 HG21 VAL A 70 19.284 5.311 8.429 1.00 12.00 H new ATOM 0 HG22 VAL A 70 20.647 6.071 9.285 1.00 12.00 H new ATOM 0 HG23 VAL A 70 20.751 5.774 7.533 1.00 12.00 H new ATOM 558 N GLN A 71 23.570 2.260 10.070 1.00 12.00 N ATOM 559 CA GLN A 71 24.280 0.990 10.350 1.00 12.00 C ATOM 560 C GLN A 71 23.530 0.170 11.420 1.00 12.00 C ATOM 561 O GLN A 71 22.650 0.690 12.100 1.00 12.00 O ATOM 562 CB GLN A 71 25.690 1.320 10.840 1.00 12.00 C ATOM 563 CG GLN A 71 26.490 2.100 9.790 1.00 12.00 C ATOM 564 CD GLN A 71 27.780 2.720 10.330 1.00 12.00 C ATOM 565 OE1 GLN A 71 28.010 2.900 11.520 1.00 12.00 O ATOM 566 NE2 GLN A 71 28.650 3.120 9.430 1.00 12.00 N ATOM 0 H GLN A 71 23.507 2.871 10.884 1.00 12.00 H new ATOM 0 HA GLN A 71 24.327 0.393 9.440 1.00 12.00 H new ATOM 0 HB2 GLN A 71 25.628 1.905 11.758 1.00 12.00 H new ATOM 0 HB3 GLN A 71 26.215 0.397 11.085 1.00 12.00 H new ATOM 0 HG2 GLN A 71 26.737 1.432 8.965 1.00 12.00 H new ATOM 0 HG3 GLN A 71 25.861 2.891 9.382 1.00 12.00 H new ATOM 0 HE21 GLN A 71 28.462 2.972 8.438 1.00 12.00 H new ATOM 0 HE22 GLN A 71 29.513 3.578 9.723 1.00 12.00 H new ATOM 567 N ASP A 72 23.880 -1.120 11.490 1.00 12.00 N ATOM 568 CA ASP A 72 23.340 -2.130 12.450 1.00 12.00 C ATOM 569 C ASP A 72 21.880 -2.560 12.160 1.00 12.00 C ATOM 570 O ASP A 72 21.050 -2.690 13.050 1.00 12.00 O ATOM 571 CB ASP A 72 23.500 -1.700 13.920 1.00 12.00 C ATOM 572 CG ASP A 72 24.950 -1.440 14.330 1.00 12.00 C ATOM 573 OD1 ASP A 72 25.790 -2.340 14.060 1.00 12.00 O ATOM 574 OD2 ASP A 72 25.210 -0.350 14.870 1.00 12.00 O ATOM 0 H ASP A 72 24.575 -1.520 10.860 1.00 12.00 H new ATOM 0 HA ASP A 72 23.961 -3.011 12.287 1.00 12.00 H new ATOM 0 HB2 ASP A 72 22.916 -0.796 14.090 1.00 12.00 H new ATOM 0 HB3 ASP A 72 23.083 -2.475 14.563 1.00 12.00 H new ATOM 575 N LEU A 73 21.640 -2.920 10.900 1.00 12.00 N ATOM 576 CA LEU A 73 20.310 -3.380 10.450 1.00 12.00 C ATOM 577 C LEU A 73 20.320 -4.890 10.170 1.00 12.00 C ATOM 578 O LEU A 73 21.280 -5.420 9.610 1.00 12.00 O ATOM 579 CB LEU A 73 19.860 -2.640 9.190 1.00 12.00 C ATOM 580 CG LEU A 73 19.580 -1.140 9.420 1.00 12.00 C ATOM 581 CD1 LEU A 73 20.850 -0.310 9.420 1.00 12.00 C ATOM 582 CD2 LEU A 73 18.760 -0.610 8.250 1.00 12.00 C ATOM 0 H LEU A 73 22.346 -2.905 10.164 1.00 12.00 H new ATOM 0 HA LEU A 73 19.608 -3.164 11.255 1.00 12.00 H new ATOM 0 HB2 LEU A 73 20.628 -2.744 8.424 1.00 12.00 H new ATOM 0 HB3 LEU A 73 18.958 -3.114 8.803 1.00 12.00 H new ATOM 0 HG LEU A 73 19.075 -1.059 10.383 1.00 12.00 H new ATOM 0 HD11 LEU A 73 20.600 0.738 9.586 1.00 12.00 H new ATOM 0 HD12 LEU A 73 21.510 -0.655 10.215 1.00 12.00 H new ATOM 0 HD13 LEU A 73 21.354 -0.415 8.459 1.00 12.00 H new ATOM 0 HD21 LEU A 73 18.555 0.450 8.400 1.00 12.00 H new ATOM 0 HD22 LEU A 73 19.319 -0.744 7.324 1.00 12.00 H new ATOM 0 HD23 LEU A 73 17.819 -1.156 8.188 1.00 12.00 H new ATOM 583 N LYS A 74 19.240 -5.550 10.590 1.00 12.00 N ATOM 584 CA LYS A 74 19.010 -6.990 10.340 1.00 12.00 C ATOM 585 C LYS A 74 19.010 -7.280 8.820 1.00 12.00 C ATOM 586 O LYS A 74 18.260 -6.620 8.090 1.00 12.00 O ATOM 587 CB LYS A 74 17.660 -7.390 10.970 1.00 12.00 C ATOM 588 CG LYS A 74 17.310 -8.870 10.780 1.00 12.00 C ATOM 589 CD LYS A 74 15.900 -9.200 11.290 1.00 12.00 C ATOM 590 CE LYS A 74 15.830 -9.390 12.810 1.00 12.00 C ATOM 591 NZ LYS A 74 16.440 -10.670 13.190 1.00 12.00 N ATOM 0 H LYS A 74 18.489 -5.105 11.118 1.00 12.00 H new ATOM 0 HA LYS A 74 19.811 -7.576 10.791 1.00 12.00 H new ATOM 0 HB2 LYS A 74 17.685 -7.165 12.036 1.00 12.00 H new ATOM 0 HB3 LYS A 74 16.870 -6.779 10.534 1.00 12.00 H new ATOM 0 HG2 LYS A 74 17.382 -9.126 9.723 1.00 12.00 H new ATOM 0 HG3 LYS A 74 18.039 -9.485 11.307 1.00 12.00 H new ATOM 0 HD2 LYS A 74 15.220 -8.399 11.000 1.00 12.00 H new ATOM 0 HD3 LYS A 74 15.549 -10.109 10.801 1.00 12.00 H new ATOM 0 HE2 LYS A 74 16.346 -8.570 13.310 1.00 12.00 H new ATOM 0 HE3 LYS A 74 14.791 -9.362 13.140 1.00 12.00 H new ATOM 0 HZ1 LYS A 74 16.210 -10.883 14.182 1.00 12.00 H new ATOM 0 HZ2 LYS A 74 16.071 -11.426 12.578 1.00 12.00 H new ATOM 0 HZ3 LYS A 74 17.472 -10.609 13.080 1.00 12.00 H new ATOM 592 N PRO A 75 19.850 -8.220 8.350 1.00 12.00 N ATOM 593 CA PRO A 75 19.950 -8.590 6.920 1.00 12.00 C ATOM 594 C PRO A 75 18.650 -9.160 6.340 1.00 12.00 C ATOM 595 O PRO A 75 17.800 -9.620 7.090 1.00 12.00 O ATOM 596 CB PRO A 75 21.090 -9.600 6.860 1.00 12.00 C ATOM 597 CG PRO A 75 21.110 -10.220 8.250 1.00 12.00 C ATOM 598 CD PRO A 75 20.770 -9.050 9.160 1.00 12.00 C ATOM 0 HA PRO A 75 20.138 -7.710 6.305 1.00 12.00 H new ATOM 0 HB2 PRO A 75 20.916 -10.352 6.090 1.00 12.00 H new ATOM 0 HB3 PRO A 75 22.039 -9.117 6.625 1.00 12.00 H new ATOM 0 HG2 PRO A 75 20.382 -11.026 8.342 1.00 12.00 H new ATOM 0 HG3 PRO A 75 22.086 -10.644 8.487 1.00 12.00 H new ATOM 0 HD2 PRO A 75 20.296 -9.386 10.082 1.00 12.00 H new ATOM 0 HD3 PRO A 75 21.663 -8.494 9.445 1.00 12.00 H new ATOM 599 N PHE A 76 18.490 -8.930 5.040 1.00 12.00 N ATOM 600 CA PHE A 76 17.350 -9.330 4.170 1.00 12.00 C ATOM 601 C PHE A 76 15.960 -8.740 4.520 1.00 12.00 C ATOM 602 O PHE A 76 15.030 -8.800 3.720 1.00 12.00 O ATOM 603 CB PHE A 76 17.300 -10.850 3.900 1.00 12.00 C ATOM 604 CG PHE A 76 16.630 -11.730 4.950 1.00 12.00 C ATOM 605 CD1 PHE A 76 15.220 -11.910 4.900 1.00 12.00 C ATOM 606 CD2 PHE A 76 17.410 -12.450 5.890 1.00 12.00 C ATOM 607 CE1 PHE A 76 14.590 -12.790 5.800 1.00 12.00 C ATOM 608 CE2 PHE A 76 16.780 -13.330 6.790 1.00 12.00 C ATOM 609 CZ PHE A 76 15.370 -13.500 6.740 1.00 12.00 C ATOM 0 H PHE A 76 19.199 -8.421 4.512 1.00 12.00 H new ATOM 0 HA PHE A 76 17.592 -8.835 3.230 1.00 12.00 H new ATOM 0 HB2 PHE A 76 16.785 -11.006 2.952 1.00 12.00 H new ATOM 0 HB3 PHE A 76 18.323 -11.202 3.769 1.00 12.00 H new ATOM 0 HD1 PHE A 76 14.633 -11.371 4.171 1.00 12.00 H new ATOM 0 HD2 PHE A 76 18.482 -12.324 5.915 1.00 12.00 H new ATOM 0 HE1 PHE A 76 13.518 -12.921 5.772 1.00 12.00 H new ATOM 0 HE2 PHE A 76 17.366 -13.874 7.516 1.00 12.00 H new ATOM 0 HZ PHE A 76 14.889 -14.179 7.428 1.00 12.00 H new ATOM 610 N THR A 77 15.880 -8.120 5.690 1.00 12.00 N ATOM 611 CA THR A 77 14.650 -7.520 6.230 1.00 12.00 C ATOM 612 C THR A 77 14.620 -6.020 5.900 1.00 12.00 C ATOM 613 O THR A 77 15.620 -5.320 5.970 1.00 12.00 O ATOM 614 CB THR A 77 14.600 -7.760 7.750 1.00 12.00 C ATOM 615 OG1 THR A 77 14.670 -9.170 7.970 1.00 12.00 O ATOM 616 CG2 THR A 77 13.340 -7.220 8.430 1.00 12.00 C ATOM 0 H THR A 77 16.683 -8.014 6.310 1.00 12.00 H new ATOM 0 HA THR A 77 13.773 -7.982 5.777 1.00 12.00 H new ATOM 0 HB THR A 77 15.438 -7.220 8.189 1.00 12.00 H new ATOM 0 HG1 THR A 77 14.482 -9.364 8.912 1.00 12.00 H new ATOM 0 HG21 THR A 77 13.385 -7.430 9.499 1.00 12.00 H new ATOM 0 HG22 THR A 77 13.276 -6.143 8.275 1.00 12.00 H new ATOM 0 HG23 THR A 77 12.461 -7.701 8.002 1.00 12.00 H new ATOM 617 N GLU A 78 13.420 -5.570 5.560 1.00 12.00 N ATOM 618 CA GLU A 78 13.180 -4.150 5.250 1.00 12.00 C ATOM 619 C GLU A 78 13.080 -3.300 6.510 1.00 12.00 C ATOM 620 O GLU A 78 12.260 -3.550 7.400 1.00 12.00 O ATOM 621 CB GLU A 78 11.950 -4.020 4.350 1.00 12.00 C ATOM 622 CG GLU A 78 11.770 -2.590 3.820 1.00 12.00 C ATOM 623 CD GLU A 78 10.820 -2.530 2.620 1.00 12.00 C ATOM 624 OE1 GLU A 78 9.770 -3.200 2.660 1.00 12.00 O ATOM 625 OE2 GLU A 78 11.200 -1.820 1.660 1.00 12.00 O ATOM 0 H GLU A 78 12.591 -6.161 5.489 1.00 12.00 H new ATOM 0 HA GLU A 78 14.039 -3.760 4.704 1.00 12.00 H new ATOM 0 HB2 GLU A 78 12.042 -4.709 3.510 1.00 12.00 H new ATOM 0 HB3 GLU A 78 11.061 -4.314 4.908 1.00 12.00 H new ATOM 0 HG2 GLU A 78 11.385 -1.955 4.618 1.00 12.00 H new ATOM 0 HG3 GLU A 78 12.741 -2.187 3.532 1.00 12.00 H new ATOM 626 N TYR A 79 14.010 -2.350 6.580 1.00 12.00 N ATOM 627 CA TYR A 79 14.020 -1.290 7.590 1.00 12.00 C ATOM 628 C TYR A 79 13.640 0.050 6.960 1.00 12.00 C ATOM 629 O TYR A 79 14.100 0.430 5.880 1.00 12.00 O ATOM 630 CB TYR A 79 15.370 -1.200 8.290 1.00 12.00 C ATOM 631 CG TYR A 79 15.510 -2.180 9.460 1.00 12.00 C ATOM 632 CD1 TYR A 79 15.559 -3.556 9.158 1.00 12.00 C ATOM 633 CD2 TYR A 79 15.709 -1.694 10.769 1.00 12.00 C ATOM 634 CE1 TYR A 79 15.855 -4.476 10.185 1.00 12.00 C ATOM 635 CE2 TYR A 79 16.005 -2.614 11.797 1.00 12.00 C ATOM 636 CZ TYR A 79 16.094 -3.985 11.489 1.00 12.00 C ATOM 637 OH TYR A 79 16.525 -4.847 12.448 1.00 12.00 O ATOM 0 H TYR A 79 14.791 -2.293 5.927 1.00 12.00 H new ATOM 0 HA TYR A 79 13.277 -1.539 8.347 1.00 12.00 H new ATOM 0 HB2 TYR A 79 16.161 -1.394 7.566 1.00 12.00 H new ATOM 0 HB3 TYR A 79 15.515 -0.184 8.656 1.00 12.00 H new ATOM 0 HD1 TYR A 79 15.372 -3.902 8.152 1.00 12.00 H new ATOM 0 HD2 TYR A 79 15.636 -0.637 10.981 1.00 12.00 H new ATOM 0 HE1 TYR A 79 15.898 -5.535 9.979 1.00 12.00 H new ATOM 0 HE2 TYR A 79 16.162 -2.270 12.809 1.00 12.00 H new ATOM 0 HH TYR A 79 16.646 -4.364 13.292 1.00 12.00 H new ATOM 638 N VAL A 80 12.720 0.680 7.650 1.00 12.00 N ATOM 639 CA VAL A 80 12.000 1.870 7.190 1.00 12.00 C ATOM 640 C VAL A 80 12.250 3.070 8.110 1.00 12.00 C ATOM 641 O VAL A 80 12.340 2.930 9.330 1.00 12.00 O ATOM 642 CB VAL A 80 10.520 1.500 6.890 1.00 12.00 C ATOM 643 CG1 VAL A 80 9.910 0.450 7.810 1.00 12.00 C ATOM 644 CG2 VAL A 80 9.600 2.710 6.760 1.00 12.00 C ATOM 0 H VAL A 80 12.433 0.377 8.581 1.00 12.00 H new ATOM 0 HA VAL A 80 12.393 2.223 6.237 1.00 12.00 H new ATOM 0 HB VAL A 80 10.591 1.029 5.910 1.00 12.00 H new ATOM 0 HG11 VAL A 80 8.877 0.265 7.516 1.00 12.00 H new ATOM 0 HG12 VAL A 80 10.481 -0.476 7.734 1.00 12.00 H new ATOM 0 HG13 VAL A 80 9.935 0.809 8.839 1.00 12.00 H new ATOM 0 HG21 VAL A 80 8.584 2.374 6.551 1.00 12.00 H new ATOM 0 HG22 VAL A 80 9.610 3.277 7.691 1.00 12.00 H new ATOM 0 HG23 VAL A 80 9.947 3.345 5.945 1.00 12.00 H new ATOM 645 N PHE A 81 12.470 4.200 7.440 1.00 12.00 N ATOM 646 CA PHE A 81 12.900 5.480 8.020 1.00 12.00 C ATOM 647 C PHE A 81 11.880 6.600 7.750 1.00 12.00 C ATOM 648 O PHE A 81 11.300 6.680 6.670 1.00 12.00 O ATOM 649 CB PHE A 81 14.240 5.900 7.410 1.00 12.00 C ATOM 650 CG PHE A 81 15.330 4.830 7.540 1.00 12.00 C ATOM 651 CD1 PHE A 81 16.080 4.740 8.730 1.00 12.00 C ATOM 652 CD2 PHE A 81 15.520 3.910 6.480 1.00 12.00 C ATOM 653 CE1 PHE A 81 17.010 3.680 8.880 1.00 12.00 C ATOM 654 CE2 PHE A 81 16.450 2.860 6.630 1.00 12.00 C ATOM 655 CZ PHE A 81 17.180 2.750 7.830 1.00 12.00 C ATOM 0 H PHE A 81 12.349 4.255 6.429 1.00 12.00 H new ATOM 0 HA PHE A 81 12.989 5.334 9.097 1.00 12.00 H new ATOM 0 HB2 PHE A 81 14.094 6.133 6.355 1.00 12.00 H new ATOM 0 HB3 PHE A 81 14.580 6.815 7.894 1.00 12.00 H new ATOM 0 HD1 PHE A 81 15.948 5.468 9.517 1.00 12.00 H new ATOM 0 HD2 PHE A 81 14.957 4.012 5.564 1.00 12.00 H new ATOM 0 HE1 PHE A 81 17.584 3.584 9.790 1.00 12.00 H new ATOM 0 HE2 PHE A 81 16.601 2.147 5.833 1.00 12.00 H new ATOM 0 HZ PHE A 81 17.883 1.939 7.950 1.00 12.00 H new ATOM 656 N ARG A 82 11.760 7.480 8.740 1.00 12.00 N ATOM 657 CA ARG A 82 10.840 8.640 8.710 1.00 12.00 C ATOM 658 C ARG A 82 11.540 9.870 9.300 1.00 12.00 C ATOM 659 O ARG A 82 12.000 9.840 10.440 1.00 12.00 O ATOM 660 CB ARG A 82 9.630 8.260 9.560 1.00 12.00 C ATOM 661 CG ARG A 82 8.310 8.740 8.970 1.00 12.00 C ATOM 662 CD ARG A 82 7.180 8.310 9.900 1.00 12.00 C ATOM 663 NE ARG A 82 5.880 8.720 9.340 1.00 12.00 N ATOM 664 CZ ARG A 82 4.690 8.460 9.880 1.00 12.00 C ATOM 665 NH1 ARG A 82 4.550 7.800 11.020 1.00 12.00 N ATOM 666 NH2 ARG A 82 3.590 8.840 9.250 1.00 12.00 N ATOM 0 H ARG A 82 12.301 7.417 9.602 1.00 12.00 H new ATOM 0 HA ARG A 82 10.538 8.884 7.691 1.00 12.00 H new ATOM 0 HB2 ARG A 82 9.598 7.176 9.672 1.00 12.00 H new ATOM 0 HB3 ARG A 82 9.749 8.680 10.559 1.00 12.00 H new ATOM 0 HG2 ARG A 82 8.317 9.824 8.858 1.00 12.00 H new ATOM 0 HG3 ARG A 82 8.164 8.318 7.976 1.00 12.00 H new ATOM 0 HD2 ARG A 82 7.202 7.229 10.036 1.00 12.00 H new ATOM 0 HD3 ARG A 82 7.318 8.758 10.884 1.00 12.00 H new ATOM 0 HE ARG A 82 5.892 9.247 8.466 1.00 12.00 H new ATOM 0 HH11 ARG A 82 5.374 7.468 11.522 1.00 12.00 H new ATOM 0 HH12 ARG A 82 3.618 7.624 11.396 1.00 12.00 H new ATOM 0 HH21 ARG A 82 3.657 9.328 8.357 1.00 12.00 H new ATOM 0 HH22 ARG A 82 2.676 8.644 9.657 1.00 12.00 H new ATOM 667 N ILE A 83 11.620 10.940 8.500 1.00 12.00 N ATOM 668 CA ILE A 83 12.350 12.170 8.870 1.00 12.00 C ATOM 669 C ILE A 83 11.560 13.480 8.670 1.00 12.00 C ATOM 670 O ILE A 83 10.720 13.590 7.770 1.00 12.00 O ATOM 671 CB ILE A 83 13.730 12.210 8.160 1.00 12.00 C ATOM 672 CG1 ILE A 83 14.640 13.290 8.770 1.00 12.00 C ATOM 673 CG2 ILE A 83 13.580 12.380 6.640 1.00 12.00 C ATOM 674 CD1 ILE A 83 16.080 13.320 8.230 1.00 12.00 C ATOM 0 H ILE A 83 11.184 10.983 7.579 1.00 12.00 H new ATOM 0 HA ILE A 83 12.501 12.116 9.948 1.00 12.00 H new ATOM 0 HB ILE A 83 14.213 11.247 8.325 1.00 12.00 H new ATOM 0 HG12 ILE A 83 14.185 14.265 8.597 1.00 12.00 H new ATOM 0 HG13 ILE A 83 14.678 13.143 9.849 1.00 12.00 H new ATOM 0 HG21 ILE A 83 14.567 12.404 6.177 1.00 12.00 H new ATOM 0 HG22 ILE A 83 13.009 11.544 6.235 1.00 12.00 H new ATOM 0 HG23 ILE A 83 13.057 13.313 6.428 1.00 12.00 H new ATOM 0 HD11 ILE A 83 16.637 14.116 8.724 1.00 12.00 H new ATOM 0 HD12 ILE A 83 16.563 12.363 8.427 1.00 12.00 H new ATOM 0 HD13 ILE A 83 16.062 13.503 7.156 1.00 12.00 H new ATOM 675 N ARG A 84 11.810 14.410 9.580 1.00 12.00 N ATOM 676 CA ARG A 84 11.490 15.850 9.420 1.00 12.00 C ATOM 677 C ARG A 84 12.500 16.770 10.140 1.00 12.00 C ATOM 678 O ARG A 84 13.200 16.330 11.060 1.00 12.00 O ATOM 679 CB ARG A 84 10.040 16.210 9.750 1.00 12.00 C ATOM 680 CG ARG A 84 9.490 15.680 11.070 1.00 12.00 C ATOM 681 CD ARG A 84 8.050 16.160 11.140 1.00 12.00 C ATOM 682 NE ARG A 84 7.250 15.450 12.160 1.00 12.00 N ATOM 683 CZ ARG A 84 5.950 15.650 12.370 1.00 12.00 C ATOM 684 NH1 ARG A 84 5.260 16.550 11.680 1.00 12.00 N ATOM 685 NH2 ARG A 84 5.300 14.900 13.240 1.00 12.00 N ATOM 0 H ARG A 84 12.250 14.196 10.475 1.00 12.00 H new ATOM 0 HA ARG A 84 11.596 16.039 8.352 1.00 12.00 H new ATOM 0 HB2 ARG A 84 9.951 17.296 9.755 1.00 12.00 H new ATOM 0 HB3 ARG A 84 9.405 15.842 8.944 1.00 12.00 H new ATOM 0 HG2 ARG A 84 9.542 14.592 11.107 1.00 12.00 H new ATOM 0 HG3 ARG A 84 10.069 16.055 11.914 1.00 12.00 H new ATOM 0 HD2 ARG A 84 8.040 17.228 11.358 1.00 12.00 H new ATOM 0 HD3 ARG A 84 7.582 16.029 10.164 1.00 12.00 H new ATOM 0 HE ARG A 84 7.725 14.761 12.742 1.00 12.00 H new ATOM 0 HH11 ARG A 84 5.725 17.111 10.966 1.00 12.00 H new ATOM 0 HH12 ARG A 84 4.265 16.680 11.864 1.00 12.00 H new ATOM 0 HH21 ARG A 84 5.793 14.168 13.751 1.00 12.00 H new ATOM 0 HH22 ARG A 84 4.304 15.053 13.401 1.00 12.00 H new ATOM 686 N CYS A 85 12.570 18.010 9.650 1.00 12.00 N ATOM 687 CA CYS A 85 13.580 19.000 10.090 1.00 12.00 C ATOM 688 C CYS A 85 12.970 20.250 10.730 1.00 12.00 C ATOM 689 O CYS A 85 11.900 20.720 10.320 1.00 12.00 O ATOM 690 CB CYS A 85 14.440 19.460 8.910 1.00 12.00 C ATOM 691 SG CYS A 85 13.570 20.450 7.640 1.00 12.00 S ATOM 0 H CYS A 85 11.933 18.365 8.937 1.00 12.00 H new ATOM 0 HA CYS A 85 14.178 18.482 10.840 1.00 12.00 H new ATOM 0 HB2 CYS A 85 15.272 20.048 9.297 1.00 12.00 H new ATOM 0 HB3 CYS A 85 14.868 18.580 8.430 1.00 12.00 H new ATOM 0 HG CYS A 85 12.511 20.993 8.163 1.00 12.00 H new ATOM 692 N MET A 86 13.700 20.770 11.700 1.00 12.00 N ATOM 693 CA MET A 86 13.470 22.120 12.240 1.00 12.00 C ATOM 694 C MET A 86 14.770 22.930 12.300 1.00 12.00 C ATOM 695 O MET A 86 15.860 22.380 12.430 1.00 12.00 O ATOM 696 CB MET A 86 12.780 22.090 13.620 1.00 12.00 C ATOM 697 CG MET A 86 13.640 21.490 14.740 1.00 12.00 C ATOM 698 SD MET A 86 12.960 21.850 16.400 1.00 12.00 S ATOM 699 CE MET A 86 14.270 21.170 17.390 1.00 12.00 C ATOM 0 H MET A 86 14.474 20.276 12.144 1.00 12.00 H new ATOM 0 HA MET A 86 12.790 22.618 11.549 1.00 12.00 H new ATOM 0 HB2 MET A 86 12.501 23.107 13.896 1.00 12.00 H new ATOM 0 HB3 MET A 86 11.856 21.517 13.540 1.00 12.00 H new ATOM 0 HG2 MET A 86 13.710 20.411 14.604 1.00 12.00 H new ATOM 0 HG3 MET A 86 14.653 21.886 14.670 1.00 12.00 H new ATOM 0 HE1 MET A 86 13.985 21.201 18.442 1.00 12.00 H new ATOM 0 HE2 MET A 86 14.452 20.137 17.093 1.00 12.00 H new ATOM 0 HE3 MET A 86 15.178 21.755 17.243 1.00 12.00 H new ATOM 700 N LYS A 87 14.600 24.240 12.150 1.00 12.00 N ATOM 701 CA LYS A 87 15.690 25.220 12.310 1.00 12.00 C ATOM 702 C LYS A 87 16.050 25.370 13.800 1.00 12.00 C ATOM 703 O LYS A 87 15.190 25.180 14.670 1.00 12.00 O ATOM 704 CB LYS A 87 15.180 26.520 11.690 1.00 12.00 C ATOM 705 CG LYS A 87 16.230 27.630 11.580 1.00 12.00 C ATOM 706 CD LYS A 87 15.700 28.810 10.760 1.00 12.00 C ATOM 707 CE LYS A 87 14.540 29.550 11.440 1.00 12.00 C ATOM 708 NZ LYS A 87 13.920 30.470 10.480 1.00 12.00 N ATOM 0 H LYS A 87 13.702 24.662 11.913 1.00 12.00 H new ATOM 0 HA LYS A 87 16.609 24.909 11.814 1.00 12.00 H new ATOM 0 HB2 LYS A 87 14.793 26.305 10.694 1.00 12.00 H new ATOM 0 HB3 LYS A 87 14.344 26.887 12.285 1.00 12.00 H new ATOM 0 HG2 LYS A 87 16.508 27.972 12.577 1.00 12.00 H new ATOM 0 HG3 LYS A 87 17.133 27.236 11.114 1.00 12.00 H new ATOM 0 HD2 LYS A 87 16.514 29.512 10.579 1.00 12.00 H new ATOM 0 HD3 LYS A 87 15.370 28.448 9.787 1.00 12.00 H new ATOM 0 HE2 LYS A 87 13.802 28.835 11.804 1.00 12.00 H new ATOM 0 HE3 LYS A 87 14.904 30.102 12.306 1.00 12.00 H new ATOM 0 HZ1 LYS A 87 13.134 30.973 10.939 1.00 12.00 H new ATOM 0 HZ2 LYS A 87 14.627 31.159 10.153 1.00 12.00 H new ATOM 0 HZ3 LYS A 87 13.559 29.932 9.667 1.00 12.00 H new ATOM 709 N GLU A 88 17.350 25.560 14.050 1.00 12.00 N ATOM 710 CA GLU A 88 17.980 25.750 15.380 1.00 12.00 C ATOM 711 C GLU A 88 17.050 26.390 16.440 1.00 12.00 C ATOM 712 O GLU A 88 16.410 27.400 16.150 1.00 12.00 O ATOM 713 CB GLU A 88 19.230 26.610 15.200 1.00 12.00 C ATOM 714 CG GLU A 88 20.140 26.650 16.440 1.00 12.00 C ATOM 715 CD GLU A 88 21.310 27.610 16.270 1.00 12.00 C ATOM 716 OE1 GLU A 88 22.050 27.460 15.270 1.00 12.00 O ATOM 717 OE2 GLU A 88 21.470 28.470 17.160 1.00 12.00 O ATOM 0 H GLU A 88 18.036 25.588 13.296 1.00 12.00 H new ATOM 0 HA GLU A 88 18.222 24.759 15.765 1.00 12.00 H new ATOM 0 HB2 GLU A 88 19.802 26.230 14.353 1.00 12.00 H new ATOM 0 HB3 GLU A 88 18.927 27.627 14.950 1.00 12.00 H new ATOM 0 HG2 GLU A 88 19.553 26.947 17.309 1.00 12.00 H new ATOM 0 HG3 GLU A 88 20.521 25.649 16.640 1.00 12.00 H new ATOM 718 N ASP A 89 17.020 25.710 17.590 1.00 12.00 N ATOM 719 CA ASP A 89 16.280 25.960 18.850 1.00 12.00 C ATOM 720 C ASP A 89 15.340 24.770 19.160 1.00 12.00 C ATOM 721 O ASP A 89 15.720 23.640 18.880 1.00 12.00 O ATOM 722 CB ASP A 89 15.570 27.330 18.960 1.00 12.00 C ATOM 723 CG ASP A 89 16.540 28.470 19.290 1.00 12.00 C ATOM 724 OD1 ASP A 89 17.340 28.850 18.420 1.00 12.00 O ATOM 725 OD2 ASP A 89 16.440 28.920 20.450 1.00 12.00 O ATOM 0 H ASP A 89 17.582 24.863 17.680 1.00 12.00 H new ATOM 0 HA ASP A 89 17.041 26.030 19.627 1.00 12.00 H new ATOM 0 HB2 ASP A 89 15.063 27.549 18.020 1.00 12.00 H new ATOM 0 HB3 ASP A 89 14.802 27.276 19.731 1.00 12.00 H new ATOM 726 N GLY A 90 14.300 25.020 19.950 1.00 12.00 N ATOM 727 CA GLY A 90 13.200 24.050 20.200 1.00 12.00 C ATOM 728 C GLY A 90 11.820 24.550 19.720 1.00 12.00 C ATOM 729 O GLY A 90 10.870 23.790 19.680 1.00 12.00 O ATOM 0 H GLY A 90 14.181 25.904 20.446 1.00 12.00 H new ATOM 0 HA2 GLY A 90 13.433 23.111 19.698 1.00 12.00 H new ATOM 0 HA3 GLY A 90 13.150 23.837 21.268 1.00 12.00 H new ATOM 730 N LYS A 91 11.810 25.780 19.200 1.00 12.00 N ATOM 731 CA LYS A 91 10.620 26.520 18.730 1.00 12.00 C ATOM 732 C LYS A 91 9.980 25.930 17.450 1.00 12.00 C ATOM 733 O LYS A 91 8.840 26.260 17.120 1.00 12.00 O ATOM 734 CB LYS A 91 11.100 27.950 18.490 1.00 12.00 C ATOM 735 CG LYS A 91 9.990 29.000 18.440 1.00 12.00 C ATOM 736 CD LYS A 91 10.620 30.380 18.290 1.00 12.00 C ATOM 737 CE LYS A 91 9.570 31.490 18.360 1.00 12.00 C ATOM 738 NZ LYS A 91 10.260 32.780 18.340 1.00 12.00 N ATOM 0 H LYS A 91 12.669 26.319 19.087 1.00 12.00 H new ATOM 0 HA LYS A 91 9.828 26.459 19.477 1.00 12.00 H new ATOM 0 HB2 LYS A 91 11.801 28.220 19.280 1.00 12.00 H new ATOM 0 HB3 LYS A 91 11.652 27.980 17.550 1.00 12.00 H new ATOM 0 HG2 LYS A 91 9.319 28.799 17.605 1.00 12.00 H new ATOM 0 HG3 LYS A 91 9.389 28.957 19.349 1.00 12.00 H new ATOM 0 HD2 LYS A 91 11.361 30.529 19.075 1.00 12.00 H new ATOM 0 HD3 LYS A 91 11.148 30.438 17.338 1.00 12.00 H new ATOM 0 HE2 LYS A 91 8.882 31.415 17.518 1.00 12.00 H new ATOM 0 HE3 LYS A 91 8.975 31.392 19.268 1.00 12.00 H new ATOM 0 HZ1 LYS A 91 9.561 33.548 18.387 1.00 12.00 H new ATOM 0 HZ2 LYS A 91 10.900 32.844 19.157 1.00 12.00 H new ATOM 0 HZ3 LYS A 91 10.810 32.866 17.462 1.00 12.00 H new ATOM 739 N GLY A 92 10.740 25.060 16.780 1.00 12.00 N ATOM 740 CA GLY A 92 10.430 24.470 15.460 1.00 12.00 C ATOM 741 C GLY A 92 9.000 23.940 15.290 1.00 12.00 C ATOM 742 O GLY A 92 8.620 22.900 15.820 1.00 12.00 O ATOM 0 H GLY A 92 11.629 24.728 17.153 1.00 12.00 H new ATOM 0 HA2 GLY A 92 10.613 25.223 14.693 1.00 12.00 H new ATOM 0 HA3 GLY A 92 11.126 23.652 15.275 1.00 12.00 H new ATOM 743 N TYR A 93 8.220 24.760 14.590 1.00 12.00 N ATOM 744 CA TYR A 93 6.870 24.410 14.120 1.00 12.00 C ATOM 745 C TYR A 93 7.050 23.500 12.900 1.00 12.00 C ATOM 746 O TYR A 93 7.390 23.960 11.810 1.00 12.00 O ATOM 747 CB TYR A 93 6.090 25.680 13.740 1.00 12.00 C ATOM 748 CG TYR A 93 6.010 26.700 14.880 1.00 12.00 C ATOM 749 CD1 TYR A 93 5.140 26.440 15.970 1.00 12.00 C ATOM 750 CD2 TYR A 93 6.860 27.830 14.850 1.00 12.00 C ATOM 751 CE1 TYR A 93 5.150 27.320 17.070 1.00 12.00 C ATOM 752 CE2 TYR A 93 6.860 28.710 15.950 1.00 12.00 C ATOM 753 CZ TYR A 93 6.010 28.440 17.050 1.00 12.00 C ATOM 754 OH TYR A 93 6.000 29.300 18.100 1.00 12.00 O ATOM 0 H TYR A 93 8.507 25.703 14.326 1.00 12.00 H new ATOM 0 HA TYR A 93 6.301 23.904 14.900 1.00 12.00 H new ATOM 0 HB2 TYR A 93 6.565 26.146 12.876 1.00 12.00 H new ATOM 0 HB3 TYR A 93 5.080 25.402 13.438 1.00 12.00 H new ATOM 0 HD1 TYR A 93 4.482 25.583 15.957 1.00 12.00 H new ATOM 0 HD2 TYR A 93 7.498 28.015 13.998 1.00 12.00 H new ATOM 0 HE1 TYR A 93 4.507 27.140 17.919 1.00 12.00 H new ATOM 0 HE2 TYR A 93 7.500 29.580 15.954 1.00 12.00 H new ATOM 0 HH TYR A 93 6.646 30.019 17.940 1.00 12.00 H new ATOM 755 N TRP A 94 7.100 22.210 13.210 1.00 12.00 N ATOM 756 CA TRP A 94 7.500 21.130 12.270 1.00 12.00 C ATOM 757 C TRP A 94 7.000 21.250 10.830 1.00 12.00 C ATOM 758 O TRP A 94 5.830 21.520 10.560 1.00 12.00 O ATOM 759 CB TRP A 94 7.100 19.750 12.810 1.00 12.00 C ATOM 760 CG TRP A 94 7.990 19.270 13.960 1.00 12.00 C ATOM 761 CD1 TRP A 94 7.540 18.940 15.170 1.00 12.00 C ATOM 762 CD2 TRP A 94 9.300 18.830 13.880 1.00 12.00 C ATOM 763 NE1 TRP A 94 8.480 18.290 15.850 1.00 12.00 N ATOM 764 CE2 TRP A 94 9.580 18.200 15.110 1.00 12.00 C ATOM 765 CE3 TRP A 94 10.310 18.910 12.880 1.00 12.00 C ATOM 766 CZ2 TRP A 94 10.840 17.630 15.370 1.00 12.00 C ATOM 767 CZ3 TRP A 94 11.570 18.340 13.140 1.00 12.00 C ATOM 768 CH2 TRP A 94 11.840 17.700 14.370 1.00 12.00 C ATOM 0 H TRP A 94 6.861 21.861 14.138 1.00 12.00 H new ATOM 0 HA TRP A 94 8.582 21.249 12.216 1.00 12.00 H new ATOM 0 HB2 TRP A 94 6.065 19.787 13.151 1.00 12.00 H new ATOM 0 HB3 TRP A 94 7.143 19.023 11.999 1.00 12.00 H new ATOM 0 HD1 TRP A 94 6.553 19.168 15.545 1.00 12.00 H new ATOM 0 HE1 TRP A 94 8.373 17.918 16.794 1.00 12.00 H new ATOM 0 HE3 TRP A 94 10.113 19.400 11.938 1.00 12.00 H new ATOM 0 HZ2 TRP A 94 11.041 17.148 16.315 1.00 12.00 H new ATOM 0 HZ3 TRP A 94 12.343 18.393 12.387 1.00 12.00 H new ATOM 0 HH2 TRP A 94 12.811 17.263 14.548 1.00 12.00 H new ATOM 769 N SER A 95 7.940 20.990 9.930 1.00 12.00 N ATOM 770 CA SER A 95 7.620 20.760 8.510 1.00 12.00 C ATOM 771 C SER A 95 6.980 19.370 8.370 1.00 12.00 C ATOM 772 O SER A 95 7.440 18.400 8.970 1.00 12.00 O ATOM 773 CB SER A 95 8.870 20.840 7.640 1.00 12.00 C ATOM 774 OG SER A 95 9.940 19.990 8.060 1.00 12.00 O ATOM 0 H SER A 95 8.934 20.931 10.150 1.00 12.00 H new ATOM 0 HA SER A 95 6.930 21.534 8.174 1.00 12.00 H new ATOM 0 HB2 SER A 95 8.601 20.585 6.615 1.00 12.00 H new ATOM 0 HB3 SER A 95 9.224 21.871 7.629 1.00 12.00 H new ATOM 0 HG SER A 95 10.443 20.428 8.778 1.00 12.00 H new ATOM 775 N ASP A 96 5.830 19.360 7.710 1.00 12.00 N ATOM 776 CA ASP A 96 5.060 18.120 7.470 1.00 12.00 C ATOM 777 C ASP A 96 5.960 17.080 6.780 1.00 12.00 C ATOM 778 O ASP A 96 6.530 17.400 5.740 1.00 12.00 O ATOM 779 CB ASP A 96 3.840 18.440 6.600 1.00 12.00 C ATOM 780 CG ASP A 96 2.870 17.260 6.500 1.00 12.00 C ATOM 781 OD1 ASP A 96 2.550 16.690 7.560 1.00 12.00 O ATOM 782 OD2 ASP A 96 2.420 16.990 5.360 1.00 12.00 O ATOM 0 H ASP A 96 5.396 20.198 7.323 1.00 12.00 H new ATOM 0 HA ASP A 96 4.716 17.708 8.419 1.00 12.00 H new ATOM 0 HB2 ASP A 96 3.318 19.302 7.014 1.00 12.00 H new ATOM 0 HB3 ASP A 96 4.173 18.719 5.600 1.00 12.00 H new ATOM 783 N TRP A 97 6.260 16.020 7.540 1.00 12.00 N ATOM 784 CA TRP A 97 7.160 14.890 7.180 1.00 12.00 C ATOM 785 C TRP A 97 7.710 14.880 5.750 1.00 12.00 C ATOM 786 O TRP A 97 6.940 14.850 4.780 1.00 12.00 O ATOM 787 CB TRP A 97 6.470 13.550 7.430 1.00 12.00 C ATOM 788 CG TRP A 97 6.170 13.270 8.910 1.00 12.00 C ATOM 789 CD1 TRP A 97 4.980 13.380 9.480 1.00 12.00 C ATOM 790 CD2 TRP A 97 7.030 12.680 9.830 1.00 12.00 C ATOM 791 NE1 TRP A 97 5.020 12.880 10.720 1.00 12.00 N ATOM 792 CE2 TRP A 97 6.250 12.450 10.980 1.00 12.00 C ATOM 793 CE3 TRP A 97 8.410 12.380 9.830 1.00 12.00 C ATOM 794 CZ2 TRP A 97 6.830 11.910 12.150 1.00 12.00 C ATOM 795 CZ3 TRP A 97 8.990 11.850 11.000 1.00 12.00 C ATOM 796 CH2 TRP A 97 8.210 11.620 12.150 1.00 12.00 C ATOM 0 H TRP A 97 5.866 15.911 8.475 1.00 12.00 H new ATOM 0 HA TRP A 97 8.020 15.044 7.831 1.00 12.00 H new ATOM 0 HB2 TRP A 97 5.536 13.523 6.869 1.00 12.00 H new ATOM 0 HB3 TRP A 97 7.099 12.750 7.040 1.00 12.00 H new ATOM 0 HD1 TRP A 97 4.106 13.810 9.013 1.00 12.00 H new ATOM 0 HE1 TRP A 97 4.231 12.836 11.364 1.00 12.00 H new ATOM 0 HE3 TRP A 97 9.010 12.554 8.949 1.00 12.00 H new ATOM 0 HZ2 TRP A 97 6.228 11.723 13.027 1.00 12.00 H new ATOM 0 HZ3 TRP A 97 10.045 11.618 11.015 1.00 12.00 H new ATOM 0 HH2 TRP A 97 8.673 11.218 13.039 1.00 12.00 H new ATOM 797 N SER A 98 9.040 14.750 5.660 1.00 12.00 N ATOM 798 CA SER A 98 9.770 14.610 4.380 1.00 12.00 C ATOM 799 C SER A 98 9.120 13.560 3.470 1.00 12.00 C ATOM 800 O SER A 98 8.660 13.890 2.370 1.00 12.00 O ATOM 801 CB SER A 98 11.230 14.230 4.670 1.00 12.00 C ATOM 802 OG SER A 98 11.890 13.700 3.510 1.00 12.00 O ATOM 0 H SER A 98 9.651 14.738 6.477 1.00 12.00 H new ATOM 0 HA SER A 98 9.732 15.565 3.855 1.00 12.00 H new ATOM 0 HB2 SER A 98 11.769 15.108 5.024 1.00 12.00 H new ATOM 0 HB3 SER A 98 11.260 13.493 5.472 1.00 12.00 H new ATOM 0 HG SER A 98 12.820 14.009 3.493 1.00 12.00 H new ATOM 803 N GLU A 99 9.100 12.340 4.010 1.00 12.00 N ATOM 804 CA GLU A 99 8.380 11.140 3.550 1.00 12.00 C ATOM 805 C GLU A 99 8.880 9.940 4.370 1.00 12.00 C ATOM 806 O GLU A 99 9.670 10.090 5.310 1.00 12.00 O ATOM 807 CB GLU A 99 8.600 10.860 2.050 1.00 12.00 C ATOM 808 CG GLU A 99 7.290 10.400 1.420 1.00 12.00 C ATOM 809 CD GLU A 99 7.480 9.970 -0.040 1.00 12.00 C ATOM 810 OE1 GLU A 99 7.620 10.880 -0.890 1.00 12.00 O ATOM 811 OE2 GLU A 99 7.420 8.750 -0.270 1.00 12.00 O ATOM 0 H GLU A 99 9.634 12.144 4.857 1.00 12.00 H new ATOM 0 HA GLU A 99 7.312 11.305 3.692 1.00 12.00 H new ATOM 0 HB2 GLU A 99 8.960 11.759 1.550 1.00 12.00 H new ATOM 0 HB3 GLU A 99 9.366 10.095 1.921 1.00 12.00 H new ATOM 0 HG2 GLU A 99 6.883 9.567 1.994 1.00 12.00 H new ATOM 0 HG3 GLU A 99 6.560 11.208 1.469 1.00 12.00 H new ATOM 812 N GLU A 100 8.270 8.800 4.090 1.00 12.00 N ATOM 813 CA GLU A 100 8.740 7.480 4.530 1.00 12.00 C ATOM 814 C GLU A 100 9.660 6.910 3.430 1.00 12.00 C ATOM 815 O GLU A 100 9.320 6.960 2.250 1.00 12.00 O ATOM 816 CB GLU A 100 7.500 6.590 4.680 1.00 12.00 C ATOM 817 CG GLU A 100 7.870 5.230 5.270 1.00 12.00 C ATOM 818 CD GLU A 100 6.720 4.220 5.190 1.00 12.00 C ATOM 819 OE1 GLU A 100 5.890 4.240 6.120 1.00 12.00 O ATOM 820 OE2 GLU A 100 6.730 3.430 4.220 1.00 12.00 O ATOM 0 H GLU A 100 7.413 8.757 3.538 1.00 12.00 H new ATOM 0 HA GLU A 100 9.288 7.532 5.471 1.00 12.00 H new ATOM 0 HB2 GLU A 100 6.770 7.083 5.322 1.00 12.00 H new ATOM 0 HB3 GLU A 100 7.027 6.452 3.708 1.00 12.00 H new ATOM 0 HG2 GLU A 100 8.736 4.832 4.741 1.00 12.00 H new ATOM 0 HG3 GLU A 100 8.164 5.358 6.312 1.00 12.00 H new ATOM 821 N ALA A 101 10.820 6.410 3.850 1.00 12.00 N ATOM 822 CA ALA A 101 11.730 5.660 2.970 1.00 12.00 C ATOM 823 C ALA A 101 11.990 4.260 3.540 1.00 12.00 C ATOM 824 O ALA A 101 12.380 4.110 4.690 1.00 12.00 O ATOM 825 CB ALA A 101 13.050 6.390 2.780 1.00 12.00 C ATOM 0 H ALA A 101 11.160 6.510 4.806 1.00 12.00 H new ATOM 0 HA ALA A 101 11.247 5.571 1.997 1.00 12.00 H new ATOM 0 HB1 ALA A 101 13.697 5.807 2.125 1.00 12.00 H new ATOM 0 HB2 ALA A 101 12.865 7.366 2.332 1.00 12.00 H new ATOM 0 HB3 ALA A 101 13.536 6.521 3.747 1.00 12.00 H new ATOM 826 N SER A 102 11.820 3.270 2.670 1.00 12.00 N ATOM 827 CA SER A 102 11.850 1.840 3.060 1.00 12.00 C ATOM 828 C SER A 102 12.960 1.070 2.320 1.00 12.00 C ATOM 829 O SER A 102 12.920 0.950 1.100 1.00 12.00 O ATOM 830 CB SER A 102 10.480 1.210 2.780 1.00 12.00 C ATOM 831 OG SER A 102 9.470 1.920 3.510 1.00 12.00 O ATOM 0 H SER A 102 11.657 3.422 1.675 1.00 12.00 H new ATOM 0 HA SER A 102 12.072 1.778 4.125 1.00 12.00 H new ATOM 0 HB2 SER A 102 10.264 1.244 1.712 1.00 12.00 H new ATOM 0 HB3 SER A 102 10.484 0.160 3.072 1.00 12.00 H new ATOM 0 HG SER A 102 8.594 1.519 3.330 1.00 12.00 H new ATOM 832 N GLY A 103 13.940 0.610 3.090 1.00 12.00 N ATOM 833 CA GLY A 103 15.150 -0.050 2.550 1.00 12.00 C ATOM 834 C GLY A 103 15.390 -1.470 3.070 1.00 12.00 C ATOM 835 O GLY A 103 15.420 -1.730 4.270 1.00 12.00 O ATOM 0 H GLY A 103 13.930 0.678 4.108 1.00 12.00 H new ATOM 0 HA2 GLY A 103 15.075 -0.084 1.463 1.00 12.00 H new ATOM 0 HA3 GLY A 103 16.019 0.562 2.790 1.00 12.00 H new ATOM 836 N ILE A 104 15.710 -2.320 2.110 1.00 12.00 N ATOM 837 CA ILE A 104 16.010 -3.750 2.360 1.00 12.00 C ATOM 838 C ILE A 104 17.540 -3.910 2.410 1.00 12.00 C ATOM 839 O ILE A 104 18.260 -3.540 1.480 1.00 12.00 O ATOM 840 CB ILE A 104 15.390 -4.660 1.280 1.00 12.00 C ATOM 841 CG1 ILE A 104 13.900 -4.360 1.090 1.00 12.00 C ATOM 842 CG2 ILE A 104 15.580 -6.130 1.680 1.00 12.00 C ATOM 843 CD1 ILE A 104 13.290 -4.920 -0.200 1.00 12.00 C ATOM 0 H ILE A 104 15.774 -2.054 1.127 1.00 12.00 H new ATOM 0 HA ILE A 104 15.568 -4.057 3.308 1.00 12.00 H new ATOM 0 HB ILE A 104 15.895 -4.466 0.334 1.00 12.00 H new ATOM 0 HG12 ILE A 104 13.351 -4.765 1.940 1.00 12.00 H new ATOM 0 HG13 ILE A 104 13.757 -3.280 1.104 1.00 12.00 H new ATOM 0 HG21 ILE A 104 15.142 -6.774 0.917 1.00 12.00 H new ATOM 0 HG22 ILE A 104 16.644 -6.348 1.771 1.00 12.00 H new ATOM 0 HG23 ILE A 104 15.089 -6.313 2.636 1.00 12.00 H new ATOM 0 HD11 ILE A 104 12.233 -4.658 -0.247 1.00 12.00 H new ATOM 0 HD12 ILE A 104 13.807 -4.496 -1.061 1.00 12.00 H new ATOM 0 HD13 ILE A 104 13.395 -6.005 -0.211 1.00 12.00 H new ATOM 844 N THR A 105 17.990 -4.470 3.530 1.00 12.00 N ATOM 845 CA THR A 105 19.410 -4.800 3.790 1.00 12.00 C ATOM 846 C THR A 105 19.880 -6.050 3.030 1.00 12.00 C ATOM 847 O THR A 105 20.150 -7.110 3.600 1.00 12.00 O ATOM 848 CB THR A 105 19.660 -4.980 5.290 1.00 12.00 C ATOM 849 OG1 THR A 105 18.420 -5.010 6.000 1.00 12.00 O ATOM 850 CG2 THR A 105 20.560 -3.870 5.810 1.00 12.00 C ATOM 0 H THR A 105 17.374 -4.717 4.305 1.00 12.00 H new ATOM 0 HA THR A 105 19.993 -3.956 3.421 1.00 12.00 H new ATOM 0 HB THR A 105 20.166 -5.932 5.452 1.00 12.00 H new ATOM 0 HG1 THR A 105 18.561 -5.400 6.888 1.00 12.00 H new ATOM 0 HG21 THR A 105 20.730 -4.010 6.878 1.00 12.00 H new ATOM 0 HG22 THR A 105 21.514 -3.899 5.284 1.00 12.00 H new ATOM 0 HG23 THR A 105 20.082 -2.905 5.642 1.00 12.00 H new ATOM 851 N TYR A 106 19.900 -5.870 1.710 1.00 12.00 N ATOM 852 CA TYR A 106 20.330 -6.830 0.670 1.00 12.00 C ATOM 853 C TYR A 106 20.020 -8.310 1.030 1.00 12.00 C ATOM 854 O TYR A 106 18.860 -8.620 1.290 1.00 12.00 O ATOM 855 CB TYR A 106 21.810 -6.530 0.350 1.00 12.00 C ATOM 856 CG TYR A 106 22.150 -6.800 -1.120 1.00 12.00 C ATOM 857 CD1 TYR A 106 21.680 -5.890 -2.090 1.00 12.00 C ATOM 858 CD2 TYR A 106 22.990 -7.880 -1.450 1.00 12.00 C ATOM 859 CE1 TYR A 106 22.060 -6.070 -3.440 1.00 12.00 C ATOM 860 CE2 TYR A 106 23.380 -8.060 -2.790 1.00 12.00 C ATOM 861 CZ TYR A 106 22.910 -7.160 -3.770 1.00 12.00 C ATOM 862 OH TYR A 106 23.260 -7.330 -5.070 1.00 12.00 O ATOM 0 H TYR A 106 19.595 -4.987 1.300 1.00 12.00 H new ATOM 0 HA TYR A 106 19.744 -6.694 -0.239 1.00 12.00 H new ATOM 0 HB2 TYR A 106 22.027 -5.488 0.586 1.00 12.00 H new ATOM 0 HB3 TYR A 106 22.449 -7.141 0.987 1.00 12.00 H new ATOM 0 HD1 TYR A 106 21.040 -5.068 -1.806 1.00 12.00 H new ATOM 0 HD2 TYR A 106 23.331 -8.562 -0.685 1.00 12.00 H new ATOM 0 HE1 TYR A 106 21.711 -5.392 -4.205 1.00 12.00 H new ATOM 0 HE2 TYR A 106 24.031 -8.877 -3.065 1.00 12.00 H new ATOM 0 HH TYR A 106 23.844 -8.112 -5.152 1.00 12.00 H new ATOM 863 N GLU A 107 21.020 -9.190 1.030 1.00 12.00 N ATOM 864 CA GLU A 107 20.890 -10.600 1.480 1.00 12.00 C ATOM 865 C GLU A 107 22.140 -11.020 2.260 1.00 12.00 C ATOM 866 O GLU A 107 23.260 -10.710 1.870 1.00 12.00 O ATOM 867 CB GLU A 107 20.700 -11.550 0.290 1.00 12.00 C ATOM 868 CG GLU A 107 19.300 -11.450 -0.320 1.00 12.00 C ATOM 869 CD GLU A 107 19.080 -12.460 -1.450 1.00 12.00 C ATOM 870 OE1 GLU A 107 19.250 -13.670 -1.180 1.00 12.00 O ATOM 871 OE2 GLU A 107 18.750 -12.000 -2.560 1.00 12.00 O ATOM 0 H GLU A 107 21.961 -8.953 0.716 1.00 12.00 H new ATOM 0 HA GLU A 107 20.011 -10.663 2.122 1.00 12.00 H new ATOM 0 HB2 GLU A 107 21.443 -11.323 -0.474 1.00 12.00 H new ATOM 0 HB3 GLU A 107 20.879 -12.575 0.615 1.00 12.00 H new ATOM 0 HG2 GLU A 107 18.555 -11.613 0.459 1.00 12.00 H new ATOM 0 HG3 GLU A 107 19.145 -10.441 -0.703 1.00 12.00 H new ATOM 872 N ASP A 108 21.910 -11.730 3.370 1.00 12.00 N ATOM 873 CA ASP A 108 23.000 -12.210 4.250 1.00 12.00 C ATOM 874 C ASP A 108 23.960 -13.200 3.570 1.00 12.00 C ATOM 875 O ASP A 108 25.180 -13.040 3.660 1.00 12.00 O ATOM 876 CB ASP A 108 22.460 -12.800 5.570 1.00 12.00 C ATOM 877 CG ASP A 108 21.600 -14.070 5.450 1.00 12.00 C ATOM 878 OD1 ASP A 108 20.790 -14.130 4.490 1.00 12.00 O ATOM 879 OD2 ASP A 108 21.800 -14.970 6.290 1.00 12.00 O ATOM 0 H ASP A 108 20.976 -11.990 3.688 1.00 12.00 H new ATOM 0 HA ASP A 108 23.585 -11.320 4.480 1.00 12.00 H new ATOM 0 HB2 ASP A 108 23.308 -13.022 6.217 1.00 12.00 H new ATOM 0 HB3 ASP A 108 21.869 -12.033 6.071 1.00 12.00 H new ATOM 880 N ARG A 109 23.390 -14.190 2.900 1.00 12.00 N ATOM 881 CA ARG A 109 24.140 -15.200 2.120 1.00 12.00 C ATOM 882 C ARG A 109 24.380 -14.780 0.650 1.00 12.00 C ATOM 883 O ARG A 109 23.530 -14.020 0.130 1.00 12.00 O ATOM 884 CB ARG A 109 23.460 -16.570 2.190 1.00 12.00 C ATOM 885 CG ARG A 109 22.010 -16.590 1.690 1.00 12.00 C ATOM 886 CD ARG A 109 21.500 -18.020 1.460 1.00 12.00 C ATOM 887 NE ARG A 109 21.280 -18.760 2.720 1.00 12.00 N ATOM 888 CZ ARG A 109 22.060 -19.720 3.220 1.00 12.00 C ATOM 889 NH1 ARG A 109 23.210 -20.070 2.670 1.00 12.00 N ATOM 890 NH2 ARG A 109 21.580 -20.510 4.170 1.00 12.00 N ATOM 0 H ARG A 109 22.380 -14.329 2.874 1.00 12.00 H new ATOM 0 HA ARG A 109 25.123 -15.273 2.586 1.00 12.00 H new ATOM 0 HB2 ARG A 109 24.042 -17.280 1.603 1.00 12.00 H new ATOM 0 HB3 ARG A 109 23.479 -16.918 3.223 1.00 12.00 H new ATOM 0 HG2 ARG A 109 21.369 -16.089 2.416 1.00 12.00 H new ATOM 0 HG3 ARG A 109 21.940 -16.026 0.760 1.00 12.00 H new ATOM 0 HD2 ARG A 109 20.566 -17.982 0.899 1.00 12.00 H new ATOM 0 HD3 ARG A 109 22.219 -18.563 0.846 1.00 12.00 H new ATOM 0 HE ARG A 109 20.451 -18.513 3.260 1.00 12.00 H new ATOM 0 HH11 ARG A 109 23.536 -19.599 1.826 1.00 12.00 H new ATOM 0 HH12 ARG A 109 23.772 -20.811 3.090 1.00 12.00 H new ATOM 0 HH21 ARG A 109 20.627 -20.379 4.509 1.00 12.00 H new ATOM 0 HH22 ARG A 109 22.164 -21.249 4.562 1.00 12.00 H new TER 891 ARG A 109 END