USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) HEADER SIGNALING PROTEIN 25-OCT-05 2ERS TITLE SOLUTION STRUCTURE OF THE INTERLEUKIN-15 RECEPTOR SUSHI TITLE 2 DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-15 RECEPTOR ALPHA CHAIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SUSHI DOMAIN OF THE INTERLEUKIN-15 RECEPTOR; COMPND 5 SYNONYM: IL-15RALPHA, IL-15RA; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: SG13009; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PQE30 KEYWDS SUSHI DOMAIN, SIGNALING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR I.LORENZEN,A.J.DINGLEY,J.GROTZINGER REVDAT 4 09-JUN-09 2ERS 1 REVDAT REVDAT 3 24-FEB-09 2ERS 1 VERSN REVDAT 2 06-JAN-09 2ERS 1 JRNL REVDAT 1 07-FEB-06 2ERS 0 JRNL AUTH I.LORENZEN,A.J.DINGLEY,Y.JACQUES,J.GROTZINGER JRNL TITL THE STRUCTURE OF THE INTERLEUKIN-15 ALPHA RECEPTOR JRNL TITL 2 AND ITS IMPLICATIONS FOR LIGAND BINDING. JRNL REF J.BIOL.CHEM. V. 281 6642 2006 JRNL REFN ISSN 0021-9258 JRNL PMID 16377614 JRNL DOI 10.1074/JBC.M513118200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : GUENTERT REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2ERS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-NOV-05. REMARK 100 THE RCSB ID CODE IS RCSB035014. 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 : 150MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM IL-15 RECEPTOR SUSHI REMARK 210 DOMIAN 15N,13C; 20MM PHOSPHATE REMARK 210 BUFFER; 150MM SODIUM CHLORIDE; REMARK 210 7% D2O; PH = 7.4 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_ REMARK 210 15N-SEPARATED_NOESY; HNCA; REMARK 210 HC(CO)NH; 3D_15N_EDITED TOCSY REMARK 210 A.O. REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 ASP A 96 OD2 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 TYR A 52 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES REMARK 500 ARG A 95 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 38 -141.07 -153.84 REMARK 500 VAL A 39 -79.90 59.17 REMARK 500 GLU A 40 -75.85 103.44 REMARK 500 HIS A 41 48.60 -89.87 REMARK 500 TYR A 49 -166.65 45.92 REMARK 500 SER A 50 148.40 175.69 REMARK 500 CYS A 59 174.35 53.44 REMARK 500 SER A 61 89.91 -66.39 REMARK 500 PHE A 63 151.09 -49.32 REMARK 500 LYS A 66 154.48 -46.58 REMARK 500 SER A 71 66.39 -110.93 REMARK 500 ASN A 78 18.08 -67.90 REMARK 500 LYS A 79 21.67 46.85 REMARK 500 ALA A 80 -61.79 -150.27 REMARK 500 ASN A 82 6.94 49.16 REMARK 500 TRP A 86 67.84 -110.72 REMARK 500 THR A 87 -160.13 29.38 REMARK 500 LEU A 91 118.78 47.80 REMARK 500 ARG A 95 146.18 -38.77 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 HIS A 41 0.09 SIDE_CHAIN REMARK 500 TYR A 57 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 CYS A 59 11.59 REMARK 500 REMARK 500 REMARK: NULL DBREF 2ERS A 31 96 UNP Q13261 I15RA_HUMAN 31 96 SEQRES 1 A 66 ILE THR CYS PRO PRO PRO MET SER VAL GLU HIS ALA ASP SEQRES 2 A 66 ILE TRP VAL LYS SER TYR SER LEU TYR SER ARG GLU ARG SEQRES 3 A 66 TYR ILE CYS ASN SER GLY PHE LYS ARG LYS ALA GLY THR SEQRES 4 A 66 SER SER LEU THR GLU CYS VAL LEU ASN LYS ALA THR ASN SEQRES 5 A 66 VAL ALA HIS TRP THR THR PRO SER LEU LYS CYS ILE ARG SEQRES 6 A 66 ASP SHEET 1 A 3 ARG A 54 ARG A 56 0 SHEET 2 A 3 LEU A 72 LEU A 77 -1 O THR A 73 N GLU A 55 SHEET 3 A 3 ALA A 84 TRP A 86 -1 O HIS A 85 N VAL A 76 SHEET 1 B 2 LYS A 64 ARG A 65 0 SHEET 2 B 2 CYS A 93 ILE A 94 -1 O ILE A 94 N LYS A 64 SSBOND *** CYS A 33 CYS A 75 1555 1555 2.04 SSBOND *** CYS A 59 CYS A 93 1555 1555 2.04 CISPEP 1 ARG A 95 ASP A 96 0 10.85 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 Single : A 32 THR OG1 : rot 120:sc= -1.52! USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -1:sc= 0.917 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 170:sc= -0.206 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -110:sc= 0.249 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 60 ASN : amide:sc= 0.576 K(o=0.58,f=-3.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -88:sc= -2.1! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -104:sc= -2.23! USER MOD Single : A 78 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.44) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -26:sc= 0.135 USER MOD Single : A 82 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.8!) USER MOD Single : A 85 HIS : no HE2:sc= -0.0577 K(o=-0.058,f=-0.98) USER MOD Single : A 87 THR OG1 : rot 171:sc= -0.574 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 31 1.263 -0.780 -18.801 1.00 12.00 N ATOM 2 CA ILE A 31 0.433 -1.330 -17.701 1.00 12.00 C ATOM 3 C ILE A 31 0.733 -0.780 -16.291 1.00 12.00 C ATOM 4 O ILE A 31 1.573 -1.280 -15.541 1.00 12.00 O ATOM 5 CB ILE A 31 0.323 -2.870 -17.671 1.00 12.00 C ATOM 6 CG1 ILE A 31 1.623 -3.660 -17.931 1.00 12.00 C ATOM 7 CG2 ILE A 31 -0.907 -3.330 -18.471 1.00 12.00 C ATOM 8 CD1 ILE A 31 2.163 -3.700 -19.371 1.00 12.00 C ATOM 0 HA ILE A 31 -0.548 -0.942 -17.977 1.00 12.00 H new ATOM 0 HB ILE A 31 0.156 -3.144 -16.629 1.00 12.00 H new ATOM 0 HG12 ILE A 31 2.402 -3.242 -17.293 1.00 12.00 H new ATOM 0 HG13 ILE A 31 1.461 -4.688 -17.605 1.00 12.00 H new ATOM 0 HG21 ILE A 31 -0.974 -4.418 -18.442 1.00 12.00 H new ATOM 0 HG22 ILE A 31 -1.808 -2.900 -18.033 1.00 12.00 H new ATOM 0 HG23 ILE A 31 -0.813 -2.999 -19.505 1.00 12.00 H new ATOM 0 HD11 ILE A 31 3.079 -4.290 -19.400 1.00 12.00 H new ATOM 0 HD12 ILE A 31 1.419 -4.153 -20.026 1.00 12.00 H new ATOM 0 HD13 ILE A 31 2.374 -2.685 -19.709 1.00 12.00 H new ATOM 20 N THR A 32 -0.057 0.230 -15.961 1.00 12.00 N ATOM 21 CA THR A 32 -0.027 0.900 -14.651 1.00 12.00 C ATOM 22 C THR A 32 -1.297 0.550 -13.861 1.00 12.00 C ATOM 23 O THR A 32 -2.297 0.100 -14.421 1.00 12.00 O ATOM 24 CB THR A 32 0.203 2.420 -14.801 1.00 12.00 C ATOM 25 OG1 THR A 32 0.493 2.970 -13.511 1.00 12.00 O ATOM 26 CG2 THR A 32 -0.967 3.180 -15.451 1.00 12.00 C ATOM 0 H THR A 32 -0.751 0.620 -16.599 1.00 12.00 H new ATOM 0 HA THR A 32 0.823 0.534 -14.075 1.00 12.00 H new ATOM 0 HB THR A 32 1.042 2.546 -15.485 1.00 12.00 H new ATOM 0 HG1 THR A 32 1.381 3.384 -13.524 1.00 12.00 H new ATOM 0 HG21 THR A 32 -0.721 4.240 -15.517 1.00 12.00 H new ATOM 0 HG22 THR A 32 -1.146 2.786 -16.451 1.00 12.00 H new ATOM 0 HG23 THR A 32 -1.864 3.053 -14.845 1.00 12.00 H new ATOM 34 N CYS A 33 -1.267 0.910 -12.591 1.00 12.00 N ATOM 35 CA CYS A 33 -2.287 0.520 -11.611 1.00 12.00 C ATOM 36 C CYS A 33 -3.257 1.680 -11.271 1.00 12.00 C ATOM 37 O CYS A 33 -2.947 2.820 -11.591 1.00 12.00 O ATOM 38 CB CYS A 33 -1.537 0.020 -10.381 1.00 12.00 C ATOM 39 SG CYS A 33 -0.757 -1.610 -10.661 1.00 12.00 S ATOM 0 H CYS A 33 -0.526 1.490 -12.197 1.00 12.00 H new ATOM 0 HA CYS A 33 -2.927 -0.262 -12.019 1.00 12.00 H new ATOM 0 HB2 CYS A 33 -0.771 0.745 -10.106 1.00 12.00 H new ATOM 0 HB3 CYS A 33 -2.227 -0.049 -9.540 1.00 12.00 H new ATOM 45 N PRO A 34 -4.447 1.400 -10.721 1.00 12.00 N ATOM 46 CA PRO A 34 -5.307 2.440 -10.121 1.00 12.00 C ATOM 47 C PRO A 34 -4.597 3.110 -8.921 1.00 12.00 C ATOM 48 O PRO A 34 -3.567 2.600 -8.491 1.00 12.00 O ATOM 49 CB PRO A 34 -6.587 1.700 -9.711 1.00 12.00 C ATOM 50 CG PRO A 34 -6.147 0.250 -9.561 1.00 12.00 C ATOM 51 CD PRO A 34 -5.107 0.080 -10.671 1.00 12.00 C ATOM 0 HA PRO A 34 -5.531 3.255 -10.810 1.00 12.00 H new ATOM 0 HB2 PRO A 34 -6.992 2.092 -8.778 1.00 12.00 H new ATOM 0 HB3 PRO A 34 -7.366 1.804 -10.466 1.00 12.00 H new ATOM 0 HG2 PRO A 34 -5.719 0.059 -8.577 1.00 12.00 H new ATOM 0 HG3 PRO A 34 -6.983 -0.439 -9.684 1.00 12.00 H new ATOM 0 HD2 PRO A 34 -4.399 -0.716 -10.440 1.00 12.00 H new ATOM 0 HD3 PRO A 34 -5.573 -0.174 -11.623 1.00 12.00 H new ATOM 59 N PRO A 35 -5.037 4.290 -8.461 1.00 12.00 N ATOM 60 CA PRO A 35 -4.477 4.920 -7.251 1.00 12.00 C ATOM 61 C PRO A 35 -4.697 4.080 -5.971 1.00 12.00 C ATOM 62 O PRO A 35 -5.817 3.620 -5.741 1.00 12.00 O ATOM 63 CB PRO A 35 -5.127 6.300 -7.171 1.00 12.00 C ATOM 64 CG PRO A 35 -6.387 6.170 -8.011 1.00 12.00 C ATOM 65 CD PRO A 35 -5.987 5.210 -9.131 1.00 12.00 C ATOM 0 HA PRO A 35 -3.392 4.997 -7.319 1.00 12.00 H new ATOM 0 HB2 PRO A 35 -5.361 6.570 -6.141 1.00 12.00 H new ATOM 0 HB3 PRO A 35 -4.467 7.074 -7.561 1.00 12.00 H new ATOM 0 HG2 PRO A 35 -7.218 5.776 -7.426 1.00 12.00 H new ATOM 0 HG3 PRO A 35 -6.704 7.135 -8.407 1.00 12.00 H new ATOM 0 HD2 PRO A 35 -6.849 4.677 -9.532 1.00 12.00 H new ATOM 0 HD3 PRO A 35 -5.520 5.735 -9.964 1.00 12.00 H new ATOM 73 N PRO A 36 -3.627 3.810 -5.211 1.00 12.00 N ATOM 74 CA PRO A 36 -3.727 3.200 -3.861 1.00 12.00 C ATOM 75 C PRO A 36 -4.327 4.210 -2.871 1.00 12.00 C ATOM 76 O PRO A 36 -3.757 5.260 -2.581 1.00 12.00 O ATOM 77 CB PRO A 36 -2.307 2.770 -3.501 1.00 12.00 C ATOM 78 CG PRO A 36 -1.407 3.670 -4.351 1.00 12.00 C ATOM 79 CD PRO A 36 -2.217 3.880 -5.631 1.00 12.00 C ATOM 0 HA PRO A 36 -4.393 2.337 -3.829 1.00 12.00 H new ATOM 0 HB2 PRO A 36 -2.110 2.903 -2.437 1.00 12.00 H new ATOM 0 HB3 PRO A 36 -2.142 1.717 -3.727 1.00 12.00 H new ATOM 0 HG2 PRO A 36 -1.196 4.615 -3.850 1.00 12.00 H new ATOM 0 HG3 PRO A 36 -0.447 3.197 -4.557 1.00 12.00 H new ATOM 0 HD2 PRO A 36 -1.989 4.843 -6.088 1.00 12.00 H new ATOM 0 HD3 PRO A 36 -1.988 3.114 -6.372 1.00 12.00 H new ATOM 87 N MET A 37 -5.547 3.890 -2.461 1.00 12.00 N ATOM 88 CA MET A 37 -6.377 4.750 -1.591 1.00 12.00 C ATOM 89 C MET A 37 -6.947 3.880 -0.461 1.00 12.00 C ATOM 90 O MET A 37 -7.957 3.190 -0.621 1.00 12.00 O ATOM 91 CB MET A 37 -7.427 5.430 -2.481 1.00 12.00 C ATOM 92 CG MET A 37 -8.377 6.370 -1.741 1.00 12.00 C ATOM 93 SD MET A 37 -9.887 5.530 -1.131 1.00 12.00 S ATOM 94 CE MET A 37 -9.937 6.140 0.539 1.00 12.00 C ATOM 0 H MET A 37 -6.005 3.016 -2.720 1.00 12.00 H new ATOM 0 HA MET A 37 -5.819 5.548 -1.102 1.00 12.00 H new ATOM 0 HB2 MET A 37 -6.914 5.993 -3.260 1.00 12.00 H new ATOM 0 HB3 MET A 37 -8.015 4.660 -2.980 1.00 12.00 H new ATOM 0 HG2 MET A 37 -7.852 6.818 -0.898 1.00 12.00 H new ATOM 0 HG3 MET A 37 -8.665 7.184 -2.406 1.00 12.00 H new ATOM 0 HE1 MET A 37 -10.802 5.722 1.053 1.00 12.00 H new ATOM 0 HE2 MET A 37 -9.027 5.845 1.062 1.00 12.00 H new ATOM 0 HE3 MET A 37 -10.012 7.227 0.527 1.00 12.00 H new ATOM 104 N SER A 38 -6.117 3.730 0.569 1.00 12.00 N ATOM 105 CA SER A 38 -6.357 2.820 1.699 1.00 12.00 C ATOM 106 C SER A 38 -5.627 3.320 2.959 1.00 12.00 C ATOM 107 O SER A 38 -5.547 4.530 3.159 1.00 12.00 O ATOM 108 CB SER A 38 -5.947 1.390 1.289 1.00 12.00 C ATOM 109 OG SER A 38 -6.787 0.920 0.239 1.00 12.00 O ATOM 0 H SER A 38 -5.240 4.245 0.648 1.00 12.00 H new ATOM 0 HA SER A 38 -7.417 2.800 1.952 1.00 12.00 H new ATOM 0 HB2 SER A 38 -4.907 1.381 0.964 1.00 12.00 H new ATOM 0 HB3 SER A 38 -6.018 0.723 2.148 1.00 12.00 H new ATOM 0 HG SER A 38 -7.450 1.607 0.019 1.00 12.00 H new ATOM 115 N VAL A 39 -5.057 2.410 3.749 1.00 12.00 N ATOM 116 CA VAL A 39 -4.267 2.660 4.969 1.00 12.00 C ATOM 117 C VAL A 39 -4.967 3.420 6.119 1.00 12.00 C ATOM 118 O VAL A 39 -5.467 2.770 7.029 1.00 12.00 O ATOM 119 CB VAL A 39 -2.867 3.150 4.519 1.00 12.00 C ATOM 120 CG1 VAL A 39 -2.647 4.660 4.349 1.00 12.00 C ATOM 121 CG2 VAL A 39 -1.817 2.550 5.429 1.00 12.00 C ATOM 0 H VAL A 39 -5.136 1.413 3.547 1.00 12.00 H new ATOM 0 HA VAL A 39 -4.142 1.726 5.516 1.00 12.00 H new ATOM 0 HB VAL A 39 -2.780 2.794 3.492 1.00 12.00 H new ATOM 0 HG11 VAL A 39 -1.621 4.845 4.031 1.00 12.00 H new ATOM 0 HG12 VAL A 39 -3.335 5.045 3.596 1.00 12.00 H new ATOM 0 HG13 VAL A 39 -2.829 5.163 5.299 1.00 12.00 H new ATOM 0 HG21 VAL A 39 -0.829 2.890 5.119 1.00 12.00 H new ATOM 0 HG22 VAL A 39 -2.003 2.864 6.456 1.00 12.00 H new ATOM 0 HG23 VAL A 39 -1.862 1.463 5.369 1.00 12.00 H new ATOM 131 N GLU A 40 -5.047 4.750 6.009 1.00 12.00 N ATOM 132 CA GLU A 40 -5.557 5.780 6.939 1.00 12.00 C ATOM 133 C GLU A 40 -4.427 6.540 7.639 1.00 12.00 C ATOM 134 O GLU A 40 -3.997 7.590 7.149 1.00 12.00 O ATOM 135 CB GLU A 40 -6.657 5.340 7.919 1.00 12.00 C ATOM 136 CG GLU A 40 -7.947 4.970 7.159 1.00 12.00 C ATOM 137 CD GLU A 40 -9.057 4.470 8.079 1.00 12.00 C ATOM 138 OE1 GLU A 40 -10.187 4.980 7.899 1.00 12.00 O ATOM 139 OE2 GLU A 40 -8.787 3.560 8.899 1.00 12.00 O ATOM 0 H GLU A 40 -4.713 5.194 5.154 1.00 12.00 H new ATOM 0 HA GLU A 40 -6.079 6.471 6.278 1.00 12.00 H new ATOM 0 HB2 GLU A 40 -6.313 4.484 8.500 1.00 12.00 H new ATOM 0 HB3 GLU A 40 -6.863 6.143 8.627 1.00 12.00 H new ATOM 0 HG2 GLU A 40 -8.302 5.842 6.611 1.00 12.00 H new ATOM 0 HG3 GLU A 40 -7.720 4.201 6.421 1.00 12.00 H new ATOM 147 N HIS A 41 -3.787 5.910 8.629 1.00 12.00 N ATOM 148 CA HIS A 41 -2.727 6.570 9.419 1.00 12.00 C ATOM 149 C HIS A 41 -1.317 6.390 8.829 1.00 12.00 C ATOM 150 O HIS A 41 -0.327 6.200 9.549 1.00 12.00 O ATOM 151 CB HIS A 41 -2.847 6.120 10.879 1.00 12.00 C ATOM 152 CG HIS A 41 -4.197 6.550 11.459 1.00 12.00 C ATOM 153 ND1 HIS A 41 -4.677 7.790 11.469 1.00 12.00 N ATOM 154 CD2 HIS A 41 -5.217 5.730 11.679 1.00 12.00 C ATOM 155 CE1 HIS A 41 -5.987 7.740 11.659 1.00 12.00 C ATOM 156 NE2 HIS A 41 -6.327 6.460 11.779 1.00 12.00 N ATOM 0 H HIS A 41 -3.979 4.947 8.907 1.00 12.00 H new ATOM 0 HA HIS A 41 -2.879 7.649 9.375 1.00 12.00 H new ATOM 0 HB2 HIS A 41 -2.745 5.037 10.942 1.00 12.00 H new ATOM 0 HB3 HIS A 41 -2.037 6.551 11.467 1.00 12.00 H new ATOM 0 HD2 HIS A 41 -5.157 4.655 11.763 1.00 12.00 H new ATOM 0 HE1 HIS A 41 -6.657 8.585 11.708 1.00 12.00 H new ATOM 0 HE2 HIS A 41 -7.271 6.101 11.922 1.00 12.00 H new ATOM 165 N ALA A 42 -1.217 6.650 7.529 1.00 12.00 N ATOM 166 CA ALA A 42 0.023 6.480 6.749 1.00 12.00 C ATOM 167 C ALA A 42 0.063 7.170 5.379 1.00 12.00 C ATOM 168 O ALA A 42 -0.967 7.410 4.759 1.00 12.00 O ATOM 169 CB ALA A 42 0.333 4.990 6.559 1.00 12.00 C ATOM 0 H ALA A 42 -2.001 6.990 6.972 1.00 12.00 H new ATOM 0 HA ALA A 42 0.780 6.982 7.352 1.00 12.00 H new ATOM 0 HB1 ALA A 42 1.251 4.880 5.982 1.00 12.00 H new ATOM 0 HB2 ALA A 42 0.458 4.517 7.533 1.00 12.00 H new ATOM 0 HB3 ALA A 42 -0.490 4.512 6.027 1.00 12.00 H new ATOM 175 N ASP A 43 1.283 7.520 4.979 1.00 12.00 N ATOM 176 CA ASP A 43 1.583 8.060 3.629 1.00 12.00 C ATOM 177 C ASP A 43 2.323 7.060 2.729 1.00 12.00 C ATOM 178 O ASP A 43 3.013 6.170 3.209 1.00 12.00 O ATOM 179 CB ASP A 43 2.413 9.340 3.749 1.00 12.00 C ATOM 180 CG ASP A 43 1.523 10.580 3.789 1.00 12.00 C ATOM 181 OD1 ASP A 43 1.193 11.060 2.689 1.00 12.00 O ATOM 182 OD2 ASP A 43 1.173 11.000 4.919 1.00 12.00 O ATOM 0 H ASP A 43 2.106 7.441 5.577 1.00 12.00 H new ATOM 0 HA ASP A 43 0.622 8.269 3.160 1.00 12.00 H new ATOM 0 HB2 ASP A 43 3.021 9.298 4.653 1.00 12.00 H new ATOM 0 HB3 ASP A 43 3.100 9.410 2.906 1.00 12.00 H new ATOM 188 N ILE A 44 2.083 7.200 1.429 1.00 12.00 N ATOM 189 CA ILE A 44 2.863 6.500 0.379 1.00 12.00 C ATOM 190 C ILE A 44 3.213 7.450 -0.771 1.00 12.00 C ATOM 191 O ILE A 44 2.473 8.400 -1.041 1.00 12.00 O ATOM 192 CB ILE A 44 2.113 5.240 -0.111 1.00 12.00 C ATOM 193 CG1 ILE A 44 3.103 4.200 -0.641 1.00 12.00 C ATOM 194 CG2 ILE A 44 0.973 5.510 -1.111 1.00 12.00 C ATOM 195 CD1 ILE A 44 2.623 2.790 -0.311 1.00 12.00 C ATOM 0 H ILE A 44 1.345 7.799 1.060 1.00 12.00 H new ATOM 0 HA ILE A 44 3.806 6.166 0.812 1.00 12.00 H new ATOM 0 HB ILE A 44 1.606 4.838 0.766 1.00 12.00 H new ATOM 0 HG12 ILE A 44 3.213 4.310 -1.720 1.00 12.00 H new ATOM 0 HG13 ILE A 44 4.086 4.368 -0.202 1.00 12.00 H new ATOM 0 HG21 ILE A 44 0.508 4.566 -1.396 1.00 12.00 H new ATOM 0 HG22 ILE A 44 0.228 6.156 -0.647 1.00 12.00 H new ATOM 0 HG23 ILE A 44 1.375 5.999 -1.998 1.00 12.00 H new ATOM 0 HD11 ILE A 44 3.338 2.063 -0.695 1.00 12.00 H new ATOM 0 HD12 ILE A 44 2.537 2.679 0.770 1.00 12.00 H new ATOM 0 HD13 ILE A 44 1.650 2.620 -0.772 1.00 12.00 H new ATOM 207 N TRP A 45 4.353 7.170 -1.381 1.00 12.00 N ATOM 208 CA TRP A 45 4.703 7.770 -2.671 1.00 12.00 C ATOM 209 C TRP A 45 5.163 6.690 -3.661 1.00 12.00 C ATOM 210 O TRP A 45 5.863 5.750 -3.301 1.00 12.00 O ATOM 211 CB TRP A 45 5.793 8.830 -2.531 1.00 12.00 C ATOM 212 CG TRP A 45 5.313 10.140 -3.191 1.00 12.00 C ATOM 213 CD1 TRP A 45 5.293 10.390 -4.491 1.00 12.00 C ATOM 214 CD2 TRP A 45 4.763 11.220 -2.531 1.00 12.00 C ATOM 215 NE1 TRP A 45 4.743 11.600 -4.711 1.00 12.00 N ATOM 216 CE2 TRP A 45 4.423 12.150 -3.541 1.00 12.00 C ATOM 217 CE3 TRP A 45 4.553 11.540 -1.171 1.00 12.00 C ATOM 218 CZ2 TRP A 45 3.873 13.400 -3.211 1.00 12.00 C ATOM 219 CZ3 TRP A 45 4.013 12.790 -0.831 1.00 12.00 C ATOM 220 CH2 TRP A 45 3.673 13.720 -1.841 1.00 12.00 C ATOM 0 H TRP A 45 5.056 6.532 -1.009 1.00 12.00 H new ATOM 0 HA TRP A 45 3.804 8.256 -3.051 1.00 12.00 H new ATOM 0 HB2 TRP A 45 6.019 9.000 -1.478 1.00 12.00 H new ATOM 0 HB3 TRP A 45 6.714 8.487 -3.003 1.00 12.00 H new ATOM 0 HD1 TRP A 45 5.661 9.725 -5.258 1.00 12.00 H new ATOM 0 HE1 TRP A 45 4.595 12.026 -5.626 1.00 12.00 H new ATOM 0 HE3 TRP A 45 4.806 10.828 -0.399 1.00 12.00 H new ATOM 0 HZ2 TRP A 45 3.607 14.105 -3.985 1.00 12.00 H new ATOM 0 HZ3 TRP A 45 3.856 13.043 0.207 1.00 12.00 H new ATOM 0 HH2 TRP A 45 3.259 14.680 -1.569 1.00 12.00 H new ATOM 231 N VAL A 46 4.523 6.770 -4.821 1.00 12.00 N ATOM 232 CA VAL A 46 4.813 5.940 -6.011 1.00 12.00 C ATOM 233 C VAL A 46 4.403 6.720 -7.261 1.00 12.00 C ATOM 234 O VAL A 46 3.223 6.900 -7.551 1.00 12.00 O ATOM 235 CB VAL A 46 4.203 4.530 -5.871 1.00 12.00 C ATOM 236 CG1 VAL A 46 2.723 4.510 -5.451 1.00 12.00 C ATOM 237 CG2 VAL A 46 4.483 3.660 -7.101 1.00 12.00 C ATOM 0 H VAL A 46 3.762 7.431 -4.977 1.00 12.00 H new ATOM 0 HA VAL A 46 5.881 5.745 -6.108 1.00 12.00 H new ATOM 0 HB VAL A 46 4.725 4.077 -5.028 1.00 12.00 H new ATOM 0 HG11 VAL A 46 2.379 3.478 -5.378 1.00 12.00 H new ATOM 0 HG12 VAL A 46 2.613 4.999 -4.483 1.00 12.00 H new ATOM 0 HG13 VAL A 46 2.127 5.039 -6.194 1.00 12.00 H new ATOM 0 HG21 VAL A 46 4.036 2.676 -6.960 1.00 12.00 H new ATOM 0 HG22 VAL A 46 4.053 4.131 -7.985 1.00 12.00 H new ATOM 0 HG23 VAL A 46 5.560 3.554 -7.234 1.00 12.00 H new ATOM 247 N LYS A 47 5.423 7.240 -7.941 1.00 12.00 N ATOM 248 CA LYS A 47 5.253 8.250 -9.001 1.00 12.00 C ATOM 249 C LYS A 47 4.583 7.820 -10.321 1.00 12.00 C ATOM 250 O LYS A 47 4.013 8.660 -11.021 1.00 12.00 O ATOM 251 CB LYS A 47 6.573 9.000 -9.281 1.00 12.00 C ATOM 252 CG LYS A 47 7.723 8.130 -9.801 1.00 12.00 C ATOM 253 CD LYS A 47 8.733 9.030 -10.521 1.00 12.00 C ATOM 254 CE LYS A 47 9.913 8.260 -11.121 1.00 12.00 C ATOM 255 NZ LYS A 47 10.903 7.920 -10.091 1.00 12.00 N ATOM 0 H LYS A 47 6.395 6.977 -7.777 1.00 12.00 H new ATOM 0 HA LYS A 47 4.510 8.914 -8.559 1.00 12.00 H new ATOM 0 HB2 LYS A 47 6.377 9.787 -10.009 1.00 12.00 H new ATOM 0 HB3 LYS A 47 6.896 9.489 -8.362 1.00 12.00 H new ATOM 0 HG2 LYS A 47 8.205 7.607 -8.975 1.00 12.00 H new ATOM 0 HG3 LYS A 47 7.343 7.369 -10.482 1.00 12.00 H new ATOM 0 HD2 LYS A 47 8.222 9.574 -11.315 1.00 12.00 H new ATOM 0 HD3 LYS A 47 9.112 9.772 -9.819 1.00 12.00 H new ATOM 0 HE2 LYS A 47 9.552 7.348 -11.597 1.00 12.00 H new ATOM 0 HE3 LYS A 47 10.385 8.860 -11.899 1.00 12.00 H new ATOM 0 HZ1 LYS A 47 11.691 7.399 -10.526 1.00 12.00 H new ATOM 0 HZ2 LYS A 47 11.264 8.792 -9.655 1.00 12.00 H new ATOM 0 HZ3 LYS A 47 10.456 7.327 -9.362 1.00 12.00 H new ATOM 269 N SER A 48 4.803 6.570 -10.731 1.00 12.00 N ATOM 270 CA SER A 48 4.273 6.040 -12.011 1.00 12.00 C ATOM 271 C SER A 48 3.533 4.690 -11.941 1.00 12.00 C ATOM 272 O SER A 48 2.933 4.260 -12.931 1.00 12.00 O ATOM 273 CB SER A 48 5.443 5.950 -13.001 1.00 12.00 C ATOM 274 OG SER A 48 6.613 5.450 -12.331 1.00 12.00 O ATOM 0 H SER A 48 5.348 5.892 -10.198 1.00 12.00 H new ATOM 0 HA SER A 48 3.499 6.739 -12.330 1.00 12.00 H new ATOM 0 HB2 SER A 48 5.180 5.293 -13.830 1.00 12.00 H new ATOM 0 HB3 SER A 48 5.648 6.933 -13.425 1.00 12.00 H new ATOM 0 HG SER A 48 7.356 5.393 -12.968 1.00 12.00 H new ATOM 280 N TYR A 49 3.353 4.190 -10.711 1.00 12.00 N ATOM 281 CA TYR A 49 2.873 2.820 -10.401 1.00 12.00 C ATOM 282 C TYR A 49 3.593 1.750 -11.251 1.00 12.00 C ATOM 283 O TYR A 49 4.713 2.020 -11.691 1.00 12.00 O ATOM 284 CB TYR A 49 1.333 2.740 -10.521 1.00 12.00 C ATOM 285 CG TYR A 49 0.543 3.820 -9.771 1.00 12.00 C ATOM 286 CD1 TYR A 49 0.993 4.330 -8.531 1.00 12.00 C ATOM 287 CD2 TYR A 49 -0.647 4.290 -10.361 1.00 12.00 C ATOM 288 CE1 TYR A 49 0.253 5.340 -7.881 1.00 12.00 C ATOM 289 CE2 TYR A 49 -1.397 5.290 -9.711 1.00 12.00 C ATOM 290 CZ TYR A 49 -0.937 5.800 -8.481 1.00 12.00 C ATOM 291 OH TYR A 49 -1.707 6.680 -7.791 1.00 12.00 O ATOM 0 H TYR A 49 3.541 4.739 -9.872 1.00 12.00 H new ATOM 0 HA TYR A 49 3.128 2.599 -9.365 1.00 12.00 H new ATOM 0 HB2 TYR A 49 1.068 2.791 -11.577 1.00 12.00 H new ATOM 0 HB3 TYR A 49 1.010 1.764 -10.158 1.00 12.00 H new ATOM 0 HD1 TYR A 49 1.899 3.948 -8.084 1.00 12.00 H new ATOM 0 HD2 TYR A 49 -0.982 3.886 -11.305 1.00 12.00 H new ATOM 0 HE1 TYR A 49 0.591 5.753 -6.942 1.00 12.00 H new ATOM 0 HE2 TYR A 49 -2.312 5.660 -10.150 1.00 12.00 H new ATOM 0 HH TYR A 49 -2.409 7.031 -8.378 1.00 12.00 H new ATOM 301 N SER A 50 3.073 0.520 -11.271 1.00 12.00 N ATOM 302 CA SER A 50 3.523 -0.590 -12.151 1.00 12.00 C ATOM 303 C SER A 50 2.783 -1.890 -11.841 1.00 12.00 C ATOM 304 O SER A 50 2.373 -2.130 -10.701 1.00 12.00 O ATOM 305 CB SER A 50 5.013 -0.910 -12.011 1.00 12.00 C ATOM 306 OG SER A 50 5.593 -1.050 -13.301 1.00 12.00 O ATOM 0 H SER A 50 2.302 0.249 -10.660 1.00 12.00 H new ATOM 0 HA SER A 50 3.311 -0.234 -13.159 1.00 12.00 H new ATOM 0 HB2 SER A 50 5.516 -0.116 -11.459 1.00 12.00 H new ATOM 0 HB3 SER A 50 5.146 -1.829 -11.440 1.00 12.00 H new ATOM 0 HG SER A 50 6.547 -1.253 -13.210 1.00 12.00 H new ATOM 312 N LEU A 51 2.593 -2.700 -12.881 1.00 12.00 N ATOM 313 CA LEU A 51 2.113 -4.100 -12.761 1.00 12.00 C ATOM 314 C LEU A 51 3.133 -4.910 -11.941 1.00 12.00 C ATOM 315 O LEU A 51 4.343 -4.810 -12.171 1.00 12.00 O ATOM 316 CB LEU A 51 2.013 -4.680 -14.181 1.00 12.00 C ATOM 317 CG LEU A 51 0.823 -5.630 -14.431 1.00 12.00 C ATOM 318 CD1 LEU A 51 0.883 -6.920 -13.601 1.00 12.00 C ATOM 319 CD2 LEU A 51 -0.517 -4.910 -14.291 1.00 12.00 C ATOM 0 H LEU A 51 2.766 -2.413 -13.844 1.00 12.00 H new ATOM 0 HA LEU A 51 1.144 -4.141 -12.264 1.00 12.00 H new ATOM 0 HB2 LEU A 51 1.949 -3.853 -14.888 1.00 12.00 H new ATOM 0 HB3 LEU A 51 2.936 -5.217 -14.401 1.00 12.00 H new ATOM 0 HG LEU A 51 0.910 -5.952 -15.469 1.00 12.00 H new ATOM 0 HD11 LEU A 51 0.015 -7.539 -13.828 1.00 12.00 H new ATOM 0 HD12 LEU A 51 1.793 -7.467 -13.845 1.00 12.00 H new ATOM 0 HD13 LEU A 51 0.883 -6.670 -12.540 1.00 12.00 H new ATOM 0 HD21 LEU A 51 -1.329 -5.614 -14.475 1.00 12.00 H new ATOM 0 HD22 LEU A 51 -0.609 -4.505 -13.283 1.00 12.00 H new ATOM 0 HD23 LEU A 51 -0.571 -4.097 -15.015 1.00 12.00 H new ATOM 331 N TYR A 52 2.633 -5.660 -10.961 1.00 12.00 N ATOM 332 CA TYR A 52 3.443 -6.480 -10.021 1.00 12.00 C ATOM 333 C TYR A 52 4.553 -5.700 -9.281 1.00 12.00 C ATOM 334 O TYR A 52 5.673 -6.170 -9.081 1.00 12.00 O ATOM 335 CB TYR A 52 3.993 -7.750 -10.701 1.00 12.00 C ATOM 336 CG TYR A 52 2.953 -8.820 -11.051 1.00 12.00 C ATOM 337 CD1 TYR A 52 1.743 -8.930 -10.331 1.00 12.00 C ATOM 338 CD2 TYR A 52 3.303 -9.750 -12.051 1.00 12.00 C ATOM 339 CE1 TYR A 52 0.863 -9.990 -10.611 1.00 12.00 C ATOM 340 CE2 TYR A 52 2.423 -10.820 -12.341 1.00 12.00 C ATOM 341 CZ TYR A 52 1.213 -10.920 -11.621 1.00 12.00 C ATOM 342 OH TYR A 52 0.333 -11.910 -11.921 1.00 12.00 O ATOM 0 H TYR A 52 1.631 -5.726 -10.782 1.00 12.00 H new ATOM 0 HA TYR A 52 2.746 -6.785 -9.240 1.00 12.00 H new ATOM 0 HB2 TYR A 52 4.507 -7.456 -11.616 1.00 12.00 H new ATOM 0 HB3 TYR A 52 4.740 -8.197 -10.045 1.00 12.00 H new ATOM 0 HD1 TYR A 52 1.495 -8.205 -9.570 1.00 12.00 H new ATOM 0 HD2 TYR A 52 4.233 -9.647 -12.590 1.00 12.00 H new ATOM 0 HE1 TYR A 52 -0.064 -10.094 -10.066 1.00 12.00 H new ATOM 0 HE2 TYR A 52 2.673 -11.547 -13.100 1.00 12.00 H new ATOM 0 HH TYR A 52 0.704 -12.473 -12.632 1.00 12.00 H new ATOM 352 N SER A 53 4.133 -4.560 -8.741 1.00 12.00 N ATOM 353 CA SER A 53 5.023 -3.700 -7.931 1.00 12.00 C ATOM 354 C SER A 53 4.553 -3.670 -6.471 1.00 12.00 C ATOM 355 O SER A 53 3.353 -3.630 -6.191 1.00 12.00 O ATOM 356 CB SER A 53 5.043 -2.280 -8.481 1.00 12.00 C ATOM 357 OG SER A 53 6.123 -1.570 -7.871 1.00 12.00 O ATOM 0 H SER A 53 3.184 -4.201 -8.843 1.00 12.00 H new ATOM 0 HA SER A 53 6.029 -4.117 -7.979 1.00 12.00 H new ATOM 0 HB2 SER A 53 5.164 -2.296 -9.564 1.00 12.00 H new ATOM 0 HB3 SER A 53 4.097 -1.780 -8.273 1.00 12.00 H new ATOM 0 HG SER A 53 5.765 -0.897 -7.255 1.00 12.00 H new ATOM 363 N ARG A 54 5.533 -3.770 -5.581 1.00 12.00 N ATOM 364 CA ARG A 54 5.303 -3.730 -4.121 1.00 12.00 C ATOM 365 C ARG A 54 5.593 -2.320 -3.591 1.00 12.00 C ATOM 366 O ARG A 54 6.563 -1.670 -3.991 1.00 12.00 O ATOM 367 CB ARG A 54 6.253 -4.630 -3.331 1.00 12.00 C ATOM 368 CG ARG A 54 6.283 -6.100 -3.741 1.00 12.00 C ATOM 369 CD ARG A 54 7.073 -6.860 -2.681 1.00 12.00 C ATOM 370 NE ARG A 54 7.493 -8.170 -3.211 1.00 12.00 N ATOM 371 CZ ARG A 54 8.733 -8.670 -3.171 1.00 12.00 C ATOM 372 NH1 ARG A 54 9.743 -8.020 -2.621 1.00 12.00 N ATOM 373 NH2 ARG A 54 8.983 -9.830 -3.751 1.00 12.00 N ATOM 0 H ARG A 54 6.513 -3.881 -5.839 1.00 12.00 H new ATOM 0 HA ARG A 54 4.271 -4.054 -3.987 1.00 12.00 H new ATOM 0 HB2 ARG A 54 7.262 -4.228 -3.423 1.00 12.00 H new ATOM 0 HB3 ARG A 54 5.982 -4.573 -2.277 1.00 12.00 H new ATOM 0 HG2 ARG A 54 5.271 -6.496 -3.821 1.00 12.00 H new ATOM 0 HG3 ARG A 54 6.748 -6.215 -4.720 1.00 12.00 H new ATOM 0 HD2 ARG A 54 7.947 -6.282 -2.382 1.00 12.00 H new ATOM 0 HD3 ARG A 54 6.462 -6.998 -1.789 1.00 12.00 H new ATOM 0 HE ARG A 54 6.774 -8.747 -3.647 1.00 12.00 H new ATOM 0 HH11 ARG A 54 9.592 -7.101 -2.206 1.00 12.00 H new ATOM 0 HH12 ARG A 54 10.674 -8.437 -2.612 1.00 12.00 H new ATOM 0 HH21 ARG A 54 8.234 -10.336 -4.224 1.00 12.00 H new ATOM 0 HH22 ARG A 54 9.925 -10.220 -3.726 1.00 12.00 H new ATOM 387 N GLU A 55 4.703 -1.870 -2.721 1.00 12.00 N ATOM 388 CA GLU A 55 4.953 -0.680 -1.891 1.00 12.00 C ATOM 389 C GLU A 55 4.503 -0.870 -0.441 1.00 12.00 C ATOM 390 O GLU A 55 3.503 -1.530 -0.161 1.00 12.00 O ATOM 391 CB GLU A 55 4.273 0.570 -2.471 1.00 12.00 C ATOM 392 CG GLU A 55 4.993 1.120 -3.701 1.00 12.00 C ATOM 393 CD GLU A 55 4.153 0.930 -4.971 1.00 12.00 C ATOM 394 OE1 GLU A 55 4.713 0.420 -5.961 1.00 12.00 O ATOM 395 OE2 GLU A 55 3.003 1.410 -4.951 1.00 12.00 O ATOM 0 H GLU A 55 3.794 -2.306 -2.564 1.00 12.00 H new ATOM 0 HA GLU A 55 6.034 -0.538 -1.899 1.00 12.00 H new ATOM 0 HB2 GLU A 55 3.244 0.328 -2.736 1.00 12.00 H new ATOM 0 HB3 GLU A 55 4.231 1.344 -1.704 1.00 12.00 H new ATOM 0 HG2 GLU A 55 5.204 2.180 -3.558 1.00 12.00 H new ATOM 0 HG3 GLU A 55 5.953 0.617 -3.819 1.00 12.00 H new ATOM 403 N ARG A 56 5.343 -0.360 0.449 1.00 12.00 N ATOM 404 CA ARG A 56 4.993 -0.240 1.869 1.00 12.00 C ATOM 405 C ARG A 56 4.783 1.230 2.259 1.00 12.00 C ATOM 406 O ARG A 56 5.423 2.140 1.729 1.00 12.00 O ATOM 407 CB ARG A 56 6.013 -0.920 2.799 1.00 12.00 C ATOM 408 CG ARG A 56 7.413 -0.330 2.709 1.00 12.00 C ATOM 409 CD ARG A 56 8.323 -0.900 3.799 1.00 12.00 C ATOM 410 NE ARG A 56 9.683 -0.380 3.579 1.00 12.00 N ATOM 411 CZ ARG A 56 10.673 -1.010 2.959 1.00 12.00 C ATOM 412 NH1 ARG A 56 10.543 -2.250 2.499 1.00 12.00 N ATOM 413 NH2 ARG A 56 11.763 -0.340 2.619 1.00 12.00 N ATOM 0 H ARG A 56 6.276 -0.020 0.218 1.00 12.00 H new ATOM 0 HA ARG A 56 4.052 -0.774 2.003 1.00 12.00 H new ATOM 0 HB2 ARG A 56 5.661 -0.842 3.828 1.00 12.00 H new ATOM 0 HB3 ARG A 56 6.060 -1.982 2.557 1.00 12.00 H new ATOM 0 HG2 ARG A 56 7.838 -0.543 1.728 1.00 12.00 H new ATOM 0 HG3 ARG A 56 7.361 0.754 2.805 1.00 12.00 H new ATOM 0 HD2 ARG A 56 7.961 -0.612 4.786 1.00 12.00 H new ATOM 0 HD3 ARG A 56 8.322 -1.989 3.764 1.00 12.00 H new ATOM 0 HE ARG A 56 9.883 0.554 3.937 1.00 12.00 H new ATOM 0 HH11 ARG A 56 9.661 -2.748 2.618 1.00 12.00 H new ATOM 0 HH12 ARG A 56 11.325 -2.704 2.027 1.00 12.00 H new ATOM 0 HH21 ARG A 56 11.838 0.654 2.834 1.00 12.00 H new ATOM 0 HH22 ARG A 56 12.528 -0.818 2.142 1.00 12.00 H new ATOM 427 N TYR A 57 3.793 1.410 3.109 1.00 12.00 N ATOM 428 CA TYR A 57 3.443 2.730 3.669 1.00 12.00 C ATOM 429 C TYR A 57 4.463 3.220 4.709 1.00 12.00 C ATOM 430 O TYR A 57 4.703 2.550 5.709 1.00 12.00 O ATOM 431 CB TYR A 57 2.033 2.680 4.259 1.00 12.00 C ATOM 432 CG TYR A 57 0.953 2.660 3.169 1.00 12.00 C ATOM 433 CD1 TYR A 57 0.486 3.872 2.612 1.00 12.00 C ATOM 434 CD2 TYR A 57 0.520 1.403 2.708 1.00 12.00 C ATOM 435 CE1 TYR A 57 -0.434 3.805 1.535 1.00 12.00 C ATOM 436 CE2 TYR A 57 -0.409 1.346 1.650 1.00 12.00 C ATOM 437 CZ TYR A 57 -0.856 2.548 1.064 1.00 12.00 C ATOM 438 OH TYR A 57 -1.584 2.463 -0.082 1.00 12.00 O ATOM 0 H TYR A 57 3.197 0.652 3.442 1.00 12.00 H new ATOM 0 HA TYR A 57 3.468 3.455 2.855 1.00 12.00 H new ATOM 0 HB2 TYR A 57 1.933 1.793 4.884 1.00 12.00 H new ATOM 0 HB3 TYR A 57 1.880 3.544 4.905 1.00 12.00 H new ATOM 0 HD1 TYR A 57 0.821 4.824 2.996 1.00 12.00 H new ATOM 0 HD2 TYR A 57 0.894 0.495 3.158 1.00 12.00 H new ATOM 0 HE1 TYR A 57 -0.807 4.711 1.080 1.00 12.00 H new ATOM 0 HE2 TYR A 57 -0.774 0.394 1.293 1.00 12.00 H new ATOM 0 HH TYR A 57 -1.793 1.524 -0.268 1.00 12.00 H new ATOM 448 N ILE A 58 4.793 4.500 4.569 1.00 12.00 N ATOM 449 CA ILE A 58 5.823 5.230 5.349 1.00 12.00 C ATOM 450 C ILE A 58 5.383 5.530 6.799 1.00 12.00 C ATOM 451 O ILE A 58 6.173 6.030 7.599 1.00 12.00 O ATOM 452 CB ILE A 58 6.153 6.520 4.549 1.00 12.00 C ATOM 453 CG1 ILE A 58 6.553 6.260 3.089 1.00 12.00 C ATOM 454 CG2 ILE A 58 7.183 7.450 5.219 1.00 12.00 C ATOM 455 CD1 ILE A 58 7.743 5.320 2.859 1.00 12.00 C ATOM 0 H ILE A 58 4.336 5.097 3.880 1.00 12.00 H new ATOM 0 HA ILE A 58 6.713 4.612 5.467 1.00 12.00 H new ATOM 0 HB ILE A 58 5.199 7.048 4.550 1.00 12.00 H new ATOM 0 HG12 ILE A 58 5.689 5.849 2.567 1.00 12.00 H new ATOM 0 HG13 ILE A 58 6.781 7.218 2.623 1.00 12.00 H new ATOM 0 HG21 ILE A 58 7.349 8.323 4.588 1.00 12.00 H new ATOM 0 HG22 ILE A 58 6.806 7.771 6.190 1.00 12.00 H new ATOM 0 HG23 ILE A 58 8.123 6.915 5.353 1.00 12.00 H new ATOM 0 HD11 ILE A 58 7.925 5.218 1.789 1.00 12.00 H new ATOM 0 HD12 ILE A 58 8.630 5.732 3.340 1.00 12.00 H new ATOM 0 HD13 ILE A 58 7.521 4.341 3.284 1.00 12.00 H new ATOM 467 N CYS A 59 4.233 4.980 7.199 1.00 12.00 N ATOM 468 CA CYS A 59 3.433 5.460 8.339 1.00 12.00 C ATOM 469 C CYS A 59 3.103 6.970 8.239 1.00 12.00 C ATOM 470 O CYS A 59 3.233 7.560 7.169 1.00 12.00 O ATOM 471 CB CYS A 59 4.053 5.100 9.699 1.00 12.00 C ATOM 472 SG CYS A 59 3.763 3.390 10.269 1.00 12.00 S ATOM 0 H CYS A 59 3.820 4.172 6.733 1.00 12.00 H new ATOM 0 HA CYS A 59 2.486 4.924 8.279 1.00 12.00 H new ATOM 0 HB2 CYS A 59 5.129 5.268 9.644 1.00 12.00 H new ATOM 0 HB3 CYS A 59 3.661 5.786 10.450 1.00 12.00 H new ATOM 478 N ASN A 60 2.283 7.440 9.179 1.00 12.00 N ATOM 479 CA ASN A 60 2.113 8.890 9.419 1.00 12.00 C ATOM 480 C ASN A 60 3.423 9.450 9.999 1.00 12.00 C ATOM 481 O ASN A 60 4.313 8.680 10.359 1.00 12.00 O ATOM 482 CB ASN A 60 0.923 9.090 10.369 1.00 12.00 C ATOM 483 CG ASN A 60 0.273 10.460 10.209 1.00 12.00 C ATOM 484 OD1 ASN A 60 0.783 11.490 10.619 1.00 12.00 O ATOM 485 ND2 ASN A 60 -0.847 10.510 9.519 1.00 12.00 N ATOM 0 H ASN A 60 1.723 6.846 9.791 1.00 12.00 H new ATOM 0 HA ASN A 60 1.901 9.428 8.495 1.00 12.00 H new ATOM 0 HB2 ASN A 60 0.180 8.315 10.183 1.00 12.00 H new ATOM 0 HB3 ASN A 60 1.260 8.969 11.399 1.00 12.00 H new ATOM 0 HD21 ASN A 60 -1.288 11.409 9.327 1.00 12.00 H new ATOM 0 HD22 ASN A 60 -1.274 9.649 9.176 1.00 12.00 H new ATOM 492 N SER A 61 3.483 10.770 10.219 1.00 12.00 N ATOM 493 CA SER A 61 4.733 11.480 10.579 1.00 12.00 C ATOM 494 C SER A 61 5.273 11.080 11.959 1.00 12.00 C ATOM 495 O SER A 61 4.733 11.480 12.999 1.00 12.00 O ATOM 496 CB SER A 61 4.493 12.990 10.509 1.00 12.00 C ATOM 497 OG SER A 61 5.733 13.680 10.609 1.00 12.00 O ATOM 0 H SER A 61 2.670 11.382 10.154 1.00 12.00 H new ATOM 0 HA SER A 61 5.498 11.189 9.859 1.00 12.00 H new ATOM 0 HB2 SER A 61 3.999 13.246 9.572 1.00 12.00 H new ATOM 0 HB3 SER A 61 3.828 13.300 11.315 1.00 12.00 H new ATOM 0 HG SER A 61 5.575 14.646 10.562 1.00 12.00 H new ATOM 503 N GLY A 62 6.113 10.050 11.929 1.00 12.00 N ATOM 504 CA GLY A 62 6.763 9.470 13.119 1.00 12.00 C ATOM 505 C GLY A 62 6.213 8.090 13.539 1.00 12.00 C ATOM 506 O GLY A 62 6.953 7.300 14.129 1.00 12.00 O ATOM 0 H GLY A 62 6.372 9.579 11.062 1.00 12.00 H new ATOM 0 HA2 GLY A 62 7.832 9.378 12.925 1.00 12.00 H new ATOM 0 HA3 GLY A 62 6.649 10.162 13.953 1.00 12.00 H new ATOM 510 N PHE A 63 4.943 7.820 13.229 1.00 12.00 N ATOM 511 CA PHE A 63 4.223 6.590 13.609 1.00 12.00 C ATOM 512 C PHE A 63 4.973 5.280 13.299 1.00 12.00 C ATOM 513 O PHE A 63 5.683 5.170 12.299 1.00 12.00 O ATOM 514 CB PHE A 63 2.853 6.550 12.899 1.00 12.00 C ATOM 515 CG PHE A 63 1.693 7.300 13.559 1.00 12.00 C ATOM 516 CD1 PHE A 63 1.883 8.330 14.519 1.00 12.00 C ATOM 517 CD2 PHE A 63 0.383 6.900 13.199 1.00 12.00 C ATOM 518 CE1 PHE A 63 0.763 8.940 15.129 1.00 12.00 C ATOM 519 CE2 PHE A 63 -0.737 7.510 13.799 1.00 12.00 C ATOM 520 CZ PHE A 63 -0.537 8.520 14.769 1.00 12.00 C ATOM 0 H PHE A 63 4.365 8.466 12.691 1.00 12.00 H new ATOM 0 HA PHE A 63 4.120 6.640 14.693 1.00 12.00 H new ATOM 0 HB2 PHE A 63 2.983 6.950 11.893 1.00 12.00 H new ATOM 0 HB3 PHE A 63 2.560 5.506 12.791 1.00 12.00 H new ATOM 0 HD1 PHE A 63 2.881 8.646 14.782 1.00 12.00 H new ATOM 0 HD2 PHE A 63 0.242 6.124 12.461 1.00 12.00 H new ATOM 0 HE1 PHE A 63 0.900 9.720 15.863 1.00 12.00 H new ATOM 0 HE2 PHE A 63 -1.737 7.210 13.521 1.00 12.00 H new ATOM 0 HZ PHE A 63 -1.393 8.978 15.243 1.00 12.00 H new ATOM 530 N LYS A 64 4.693 4.260 14.109 1.00 12.00 N ATOM 531 CA LYS A 64 5.303 2.920 13.979 1.00 12.00 C ATOM 532 C LYS A 64 4.203 1.900 13.669 1.00 12.00 C ATOM 533 O LYS A 64 3.033 2.090 14.019 1.00 12.00 O ATOM 534 CB LYS A 64 5.913 2.570 15.339 1.00 12.00 C ATOM 535 CG LYS A 64 7.043 1.530 15.299 1.00 12.00 C ATOM 536 CD LYS A 64 8.313 2.100 14.669 1.00 12.00 C ATOM 537 CE LYS A 64 9.583 1.480 15.269 1.00 12.00 C ATOM 538 NZ LYS A 64 9.733 0.060 14.899 1.00 12.00 N ATOM 0 H LYS A 64 4.032 4.332 14.883 1.00 12.00 H new ATOM 0 HA LYS A 64 6.052 2.908 13.187 1.00 12.00 H new ATOM 0 HB2 LYS A 64 6.297 3.483 15.793 1.00 12.00 H new ATOM 0 HB3 LYS A 64 5.121 2.199 15.990 1.00 12.00 H new ATOM 0 HG2 LYS A 64 7.260 1.189 16.311 1.00 12.00 H new ATOM 0 HG3 LYS A 64 6.715 0.658 14.733 1.00 12.00 H new ATOM 0 HD2 LYS A 64 8.296 1.921 13.594 1.00 12.00 H new ATOM 0 HD3 LYS A 64 8.335 3.180 14.812 1.00 12.00 H new ATOM 0 HE2 LYS A 64 10.455 2.038 14.927 1.00 12.00 H new ATOM 0 HE3 LYS A 64 9.552 1.570 16.355 1.00 12.00 H new ATOM 0 HZ1 LYS A 64 10.603 -0.320 15.325 1.00 12.00 H new ATOM 0 HZ2 LYS A 64 8.914 -0.478 15.247 1.00 12.00 H new ATOM 0 HZ3 LYS A 64 9.788 -0.025 13.864 1.00 12.00 H new ATOM 552 N ARG A 65 4.553 0.840 12.969 1.00 12.00 N ATOM 553 CA ARG A 65 3.663 -0.340 12.909 1.00 12.00 C ATOM 554 C ARG A 65 3.543 -1.000 14.289 1.00 12.00 C ATOM 555 O ARG A 65 4.533 -1.280 14.959 1.00 12.00 O ATOM 556 CB ARG A 65 4.173 -1.400 11.929 1.00 12.00 C ATOM 557 CG ARG A 65 4.093 -0.970 10.459 1.00 12.00 C ATOM 558 CD ARG A 65 4.533 -2.110 9.529 1.00 12.00 C ATOM 559 NE ARG A 65 5.923 -2.490 9.829 1.00 12.00 N ATOM 560 CZ ARG A 65 6.893 -2.770 8.959 1.00 12.00 C ATOM 561 NH1 ARG A 65 6.673 -2.830 7.649 1.00 12.00 N ATOM 562 NH2 ARG A 65 8.143 -2.840 9.379 1.00 12.00 N ATOM 0 H ARG A 65 5.421 0.754 12.440 1.00 12.00 H new ATOM 0 HA ARG A 65 2.694 0.027 12.570 1.00 12.00 H new ATOM 0 HB2 ARG A 65 5.208 -1.639 12.173 1.00 12.00 H new ATOM 0 HB3 ARG A 65 3.595 -2.314 12.063 1.00 12.00 H new ATOM 0 HG2 ARG A 65 3.072 -0.672 10.218 1.00 12.00 H new ATOM 0 HG3 ARG A 65 4.726 -0.098 10.296 1.00 12.00 H new ATOM 0 HD2 ARG A 65 3.876 -2.970 9.657 1.00 12.00 H new ATOM 0 HD3 ARG A 65 4.449 -1.796 8.489 1.00 12.00 H new ATOM 0 HE ARG A 65 6.173 -2.545 10.816 1.00 12.00 H new ATOM 0 HH11 ARG A 65 5.737 -2.659 7.281 1.00 12.00 H new ATOM 0 HH12 ARG A 65 7.440 -3.047 7.012 1.00 12.00 H new ATOM 0 HH21 ARG A 65 8.360 -2.680 10.363 1.00 12.00 H new ATOM 0 HH22 ARG A 65 8.891 -3.054 8.720 1.00 12.00 H new ATOM 576 N LYS A 66 2.293 -1.080 14.759 1.00 12.00 N ATOM 577 CA LYS A 66 1.883 -1.960 15.879 1.00 12.00 C ATOM 578 C LYS A 66 2.463 -3.380 15.689 1.00 12.00 C ATOM 579 O LYS A 66 2.723 -3.810 14.559 1.00 12.00 O ATOM 580 CB LYS A 66 0.343 -1.960 15.839 1.00 12.00 C ATOM 581 CG LYS A 66 -0.407 -2.990 16.679 1.00 12.00 C ATOM 582 CD LYS A 66 -0.467 -2.640 18.169 1.00 12.00 C ATOM 583 CE LYS A 66 -1.227 -3.740 18.919 1.00 12.00 C ATOM 584 NZ LYS A 66 -1.587 -3.260 20.259 1.00 12.00 N ATOM 0 H LYS A 66 1.523 -0.533 14.374 1.00 12.00 H new ATOM 0 HA LYS A 66 2.254 -1.613 16.844 1.00 12.00 H new ATOM 0 HB2 LYS A 66 0.003 -0.971 16.146 1.00 12.00 H new ATOM 0 HB3 LYS A 66 0.038 -2.093 14.801 1.00 12.00 H new ATOM 0 HG2 LYS A 66 -1.423 -3.088 16.296 1.00 12.00 H new ATOM 0 HG3 LYS A 66 0.073 -3.961 16.562 1.00 12.00 H new ATOM 0 HD2 LYS A 66 0.541 -2.540 18.571 1.00 12.00 H new ATOM 0 HD3 LYS A 66 -0.963 -1.680 18.309 1.00 12.00 H new ATOM 0 HE2 LYS A 66 -2.125 -4.017 18.367 1.00 12.00 H new ATOM 0 HE3 LYS A 66 -0.610 -4.636 18.995 1.00 12.00 H new ATOM 0 HZ1 LYS A 66 -2.103 -4.006 20.768 1.00 12.00 H new ATOM 0 HZ2 LYS A 66 -0.723 -3.016 20.784 1.00 12.00 H new ATOM 0 HZ3 LYS A 66 -2.191 -2.417 20.175 1.00 12.00 H new ATOM 598 N ALA A 67 2.643 -4.110 16.779 1.00 12.00 N ATOM 599 CA ALA A 67 3.183 -5.490 16.749 1.00 12.00 C ATOM 600 C ALA A 67 2.283 -6.440 15.919 1.00 12.00 C ATOM 601 O ALA A 67 1.123 -6.640 16.249 1.00 12.00 O ATOM 602 CB ALA A 67 3.343 -6.010 18.179 1.00 12.00 C ATOM 0 H ALA A 67 2.423 -3.776 17.717 1.00 12.00 H new ATOM 0 HA ALA A 67 4.158 -5.465 16.263 1.00 12.00 H new ATOM 0 HB1 ALA A 67 3.740 -7.025 18.155 1.00 12.00 H new ATOM 0 HB2 ALA A 67 4.030 -5.364 18.726 1.00 12.00 H new ATOM 0 HB3 ALA A 67 2.373 -6.012 18.676 1.00 12.00 H new ATOM 608 N GLY A 68 2.763 -6.710 14.709 1.00 12.00 N ATOM 609 CA GLY A 68 2.143 -7.700 13.799 1.00 12.00 C ATOM 610 C GLY A 68 1.553 -7.140 12.489 1.00 12.00 C ATOM 611 O GLY A 68 1.473 -7.870 11.499 1.00 12.00 O ATOM 0 H GLY A 68 3.590 -6.256 14.321 1.00 12.00 H new ATOM 0 HA2 GLY A 68 2.893 -8.449 13.545 1.00 12.00 H new ATOM 0 HA3 GLY A 68 1.349 -8.214 14.341 1.00 12.00 H new ATOM 615 N THR A 69 1.133 -5.880 12.489 1.00 12.00 N ATOM 616 CA THR A 69 0.533 -5.220 11.299 1.00 12.00 C ATOM 617 C THR A 69 1.453 -5.190 10.069 1.00 12.00 C ATOM 618 O THR A 69 2.573 -4.680 10.129 1.00 12.00 O ATOM 619 CB THR A 69 -0.047 -3.820 11.579 1.00 12.00 C ATOM 620 OG1 THR A 69 -0.247 -3.100 10.359 1.00 12.00 O ATOM 621 CG2 THR A 69 0.843 -2.930 12.429 1.00 12.00 C ATOM 0 H THR A 69 1.192 -5.273 13.307 1.00 12.00 H new ATOM 0 HA THR A 69 -0.307 -5.870 11.056 1.00 12.00 H new ATOM 0 HB THR A 69 -0.974 -4.024 12.114 1.00 12.00 H new ATOM 0 HG1 THR A 69 0.573 -2.617 10.126 1.00 12.00 H new ATOM 0 HG21 THR A 69 0.358 -1.965 12.576 1.00 12.00 H new ATOM 0 HG22 THR A 69 1.012 -3.403 13.396 1.00 12.00 H new ATOM 0 HG23 THR A 69 1.798 -2.783 11.925 1.00 12.00 H new ATOM 629 N SER A 70 0.793 -5.400 8.939 1.00 12.00 N ATOM 630 CA SER A 70 1.433 -5.460 7.609 1.00 12.00 C ATOM 631 C SER A 70 0.753 -4.490 6.629 1.00 12.00 C ATOM 632 O SER A 70 -0.477 -4.460 6.519 1.00 12.00 O ATOM 633 CB SER A 70 1.333 -6.890 7.069 1.00 12.00 C ATOM 634 OG SER A 70 1.953 -6.990 5.789 1.00 12.00 O ATOM 0 H SER A 70 -0.217 -5.537 8.907 1.00 12.00 H new ATOM 0 HA SER A 70 2.479 -5.169 7.709 1.00 12.00 H new ATOM 0 HB2 SER A 70 1.810 -7.581 7.764 1.00 12.00 H new ATOM 0 HB3 SER A 70 0.286 -7.184 6.995 1.00 12.00 H new ATOM 0 HG SER A 70 1.880 -7.911 5.461 1.00 12.00 H new ATOM 640 N SER A 71 1.553 -3.540 6.169 1.00 12.00 N ATOM 641 CA SER A 71 1.173 -2.600 5.089 1.00 12.00 C ATOM 642 C SER A 71 1.953 -2.840 3.789 1.00 12.00 C ATOM 643 O SER A 71 2.693 -1.980 3.289 1.00 12.00 O ATOM 644 CB SER A 71 1.323 -1.150 5.539 1.00 12.00 C ATOM 645 OG SER A 71 2.563 -0.960 6.229 1.00 12.00 O ATOM 0 H SER A 71 2.495 -3.387 6.528 1.00 12.00 H new ATOM 0 HA SER A 71 0.122 -2.794 4.873 1.00 12.00 H new ATOM 0 HB2 SER A 71 1.278 -0.489 4.674 1.00 12.00 H new ATOM 0 HB3 SER A 71 0.493 -0.879 6.191 1.00 12.00 H new ATOM 0 HG SER A 71 2.642 -0.024 6.508 1.00 12.00 H new ATOM 651 N LEU A 72 1.683 -4.000 3.199 1.00 12.00 N ATOM 652 CA LEU A 72 2.263 -4.350 1.899 1.00 12.00 C ATOM 653 C LEU A 72 1.173 -4.290 0.829 1.00 12.00 C ATOM 654 O LEU A 72 0.293 -5.160 0.719 1.00 12.00 O ATOM 655 CB LEU A 72 2.983 -5.710 1.969 1.00 12.00 C ATOM 656 CG LEU A 72 4.093 -5.920 0.919 1.00 12.00 C ATOM 657 CD1 LEU A 72 3.533 -6.190 -0.481 1.00 12.00 C ATOM 658 CD2 LEU A 72 5.133 -4.790 0.909 1.00 12.00 C ATOM 0 H LEU A 72 1.070 -4.713 3.595 1.00 12.00 H new ATOM 0 HA LEU A 72 3.030 -3.627 1.621 1.00 12.00 H new ATOM 0 HB2 LEU A 72 3.418 -5.822 2.962 1.00 12.00 H new ATOM 0 HB3 LEU A 72 2.242 -6.502 1.855 1.00 12.00 H new ATOM 0 HG LEU A 72 4.622 -6.821 1.229 1.00 12.00 H new ATOM 0 HD11 LEU A 72 4.356 -6.330 -1.181 1.00 12.00 H new ATOM 0 HD12 LEU A 72 2.917 -7.089 -0.459 1.00 12.00 H new ATOM 0 HD13 LEU A 72 2.926 -5.343 -0.800 1.00 12.00 H new ATOM 0 HD21 LEU A 72 5.887 -4.996 0.149 1.00 12.00 H new ATOM 0 HD22 LEU A 72 4.640 -3.844 0.684 1.00 12.00 H new ATOM 0 HD23 LEU A 72 5.611 -4.727 1.887 1.00 12.00 H new ATOM 670 N THR A 73 1.173 -3.140 0.169 1.00 12.00 N ATOM 671 CA THR A 73 0.273 -2.880 -0.961 1.00 12.00 C ATOM 672 C THR A 73 0.983 -3.250 -2.261 1.00 12.00 C ATOM 673 O THR A 73 2.033 -2.710 -2.601 1.00 12.00 O ATOM 674 CB THR A 73 -0.317 -1.460 -0.951 1.00 12.00 C ATOM 675 OG1 THR A 73 -1.227 -1.370 -2.041 1.00 12.00 O ATOM 676 CG2 THR A 73 0.713 -0.320 -1.061 1.00 12.00 C ATOM 0 H THR A 73 1.791 -2.361 0.395 1.00 12.00 H new ATOM 0 HA THR A 73 -0.606 -3.518 -0.866 1.00 12.00 H new ATOM 0 HB THR A 73 -0.792 -1.322 0.020 1.00 12.00 H new ATOM 0 HG1 THR A 73 -0.815 -0.860 -2.770 1.00 12.00 H new ATOM 0 HG21 THR A 73 0.197 0.640 -1.045 1.00 12.00 H new ATOM 0 HG22 THR A 73 1.406 -0.373 -0.221 1.00 12.00 H new ATOM 0 HG23 THR A 73 1.267 -0.419 -1.995 1.00 12.00 H new ATOM 684 N GLU A 74 0.573 -4.410 -2.761 1.00 12.00 N ATOM 685 CA GLU A 74 1.183 -5.020 -3.951 1.00 12.00 C ATOM 686 C GLU A 74 0.173 -5.020 -5.091 1.00 12.00 C ATOM 687 O GLU A 74 -0.987 -5.410 -4.911 1.00 12.00 O ATOM 688 CB GLU A 74 1.663 -6.440 -3.651 1.00 12.00 C ATOM 689 CG GLU A 74 2.543 -7.010 -4.771 1.00 12.00 C ATOM 690 CD GLU A 74 3.023 -8.430 -4.471 1.00 12.00 C ATOM 691 OE1 GLU A 74 2.223 -9.360 -4.681 1.00 12.00 O ATOM 692 OE2 GLU A 74 4.193 -8.560 -4.041 1.00 12.00 O ATOM 0 H GLU A 74 -0.188 -4.957 -2.359 1.00 12.00 H new ATOM 0 HA GLU A 74 2.054 -4.434 -4.244 1.00 12.00 H new ATOM 0 HB2 GLU A 74 2.224 -6.441 -2.716 1.00 12.00 H new ATOM 0 HB3 GLU A 74 0.800 -7.089 -3.505 1.00 12.00 H new ATOM 0 HG2 GLU A 74 1.982 -7.009 -5.706 1.00 12.00 H new ATOM 0 HG3 GLU A 74 3.406 -6.361 -4.917 1.00 12.00 H new ATOM 700 N CYS A 75 0.663 -4.590 -6.251 1.00 12.00 N ATOM 701 CA CYS A 75 -0.137 -4.590 -7.481 1.00 12.00 C ATOM 702 C CYS A 75 -0.317 -5.980 -8.101 1.00 12.00 C ATOM 703 O CYS A 75 0.293 -6.360 -9.101 1.00 12.00 O ATOM 704 CB CYS A 75 0.353 -3.530 -8.471 1.00 12.00 C ATOM 705 SG CYS A 75 -1.127 -2.550 -8.891 1.00 12.00 S ATOM 0 H CYS A 75 1.612 -4.236 -6.369 1.00 12.00 H new ATOM 0 HA CYS A 75 -1.148 -4.300 -7.193 1.00 12.00 H new ATOM 0 HB2 CYS A 75 1.127 -2.904 -8.027 1.00 12.00 H new ATOM 0 HB3 CYS A 75 0.786 -3.990 -9.359 1.00 12.00 H new ATOM 711 N VAL A 76 -1.217 -6.700 -7.441 1.00 12.00 N ATOM 712 CA VAL A 76 -1.617 -8.090 -7.761 1.00 12.00 C ATOM 713 C VAL A 76 -2.707 -8.140 -8.841 1.00 12.00 C ATOM 714 O VAL A 76 -3.737 -7.470 -8.751 1.00 12.00 O ATOM 715 CB VAL A 76 -2.087 -8.850 -6.491 1.00 12.00 C ATOM 716 CG1 VAL A 76 -0.887 -9.180 -5.591 1.00 12.00 C ATOM 717 CG2 VAL A 76 -3.187 -8.130 -5.701 1.00 12.00 C ATOM 0 H VAL A 76 -1.716 -6.328 -6.633 1.00 12.00 H new ATOM 0 HA VAL A 76 -0.731 -8.587 -8.155 1.00 12.00 H new ATOM 0 HB VAL A 76 -2.543 -9.775 -6.843 1.00 12.00 H new ATOM 0 HG11 VAL A 76 -1.232 -9.713 -4.705 1.00 12.00 H new ATOM 0 HG12 VAL A 76 -0.182 -9.806 -6.139 1.00 12.00 H new ATOM 0 HG13 VAL A 76 -0.393 -8.256 -5.290 1.00 12.00 H new ATOM 0 HG21 VAL A 76 -3.459 -8.726 -4.830 1.00 12.00 H new ATOM 0 HG22 VAL A 76 -2.822 -7.156 -5.375 1.00 12.00 H new ATOM 0 HG23 VAL A 76 -4.063 -7.996 -6.336 1.00 12.00 H new ATOM 727 N LEU A 77 -2.447 -8.960 -9.861 1.00 12.00 N ATOM 728 CA LEU A 77 -3.377 -9.140 -10.991 1.00 12.00 C ATOM 729 C LEU A 77 -4.557 -10.010 -10.541 1.00 12.00 C ATOM 730 O LEU A 77 -4.447 -11.220 -10.381 1.00 12.00 O ATOM 731 CB LEU A 77 -2.627 -9.790 -12.171 1.00 12.00 C ATOM 732 CG LEU A 77 -3.127 -9.370 -13.581 1.00 12.00 C ATOM 733 CD1 LEU A 77 -4.577 -9.790 -13.861 1.00 12.00 C ATOM 734 CD2 LEU A 77 -2.917 -7.880 -13.841 1.00 12.00 C ATOM 0 H LEU A 77 -1.595 -9.516 -9.933 1.00 12.00 H new ATOM 0 HA LEU A 77 -3.764 -8.175 -11.319 1.00 12.00 H new ATOM 0 HB2 LEU A 77 -1.569 -9.543 -12.089 1.00 12.00 H new ATOM 0 HB3 LEU A 77 -2.709 -10.873 -12.081 1.00 12.00 H new ATOM 0 HG LEU A 77 -2.508 -9.921 -14.289 1.00 12.00 H new ATOM 0 HD11 LEU A 77 -4.863 -9.466 -14.862 1.00 12.00 H new ATOM 0 HD12 LEU A 77 -4.661 -10.875 -13.793 1.00 12.00 H new ATOM 0 HD13 LEU A 77 -5.238 -9.328 -13.128 1.00 12.00 H new ATOM 0 HD21 LEU A 77 -3.280 -7.630 -14.838 1.00 12.00 H new ATOM 0 HD22 LEU A 77 -3.466 -7.300 -13.099 1.00 12.00 H new ATOM 0 HD23 LEU A 77 -1.855 -7.645 -13.772 1.00 12.00 H new ATOM 746 N ASN A 78 -5.707 -9.340 -10.371 1.00 12.00 N ATOM 747 CA ASN A 78 -6.957 -9.970 -9.891 1.00 12.00 C ATOM 748 C ASN A 78 -7.637 -10.990 -10.841 1.00 12.00 C ATOM 749 O ASN A 78 -8.827 -11.250 -10.711 1.00 12.00 O ATOM 750 CB ASN A 78 -7.907 -8.830 -9.491 1.00 12.00 C ATOM 751 CG ASN A 78 -9.047 -9.290 -8.581 1.00 12.00 C ATOM 752 OD1 ASN A 78 -8.857 -9.820 -7.491 1.00 12.00 O ATOM 753 ND2 ASN A 78 -10.277 -9.040 -8.981 1.00 12.00 N ATOM 0 H ASN A 78 -5.802 -8.342 -10.562 1.00 12.00 H new ATOM 0 HA ASN A 78 -6.693 -10.606 -9.046 1.00 12.00 H new ATOM 0 HB2 ASN A 78 -7.337 -8.051 -8.984 1.00 12.00 H new ATOM 0 HB3 ASN A 78 -8.327 -8.382 -10.392 1.00 12.00 H new ATOM 0 HD21 ASN A 78 -11.067 -9.287 -8.385 1.00 12.00 H new ATOM 0 HD22 ASN A 78 -10.439 -8.599 -9.887 1.00 12.00 H new ATOM 760 N LYS A 79 -6.897 -11.510 -11.831 1.00 12.00 N ATOM 761 CA LYS A 79 -7.307 -12.590 -12.761 1.00 12.00 C ATOM 762 C LYS A 79 -8.707 -12.500 -13.431 1.00 12.00 C ATOM 763 O LYS A 79 -9.217 -13.490 -13.951 1.00 12.00 O ATOM 764 CB LYS A 79 -7.147 -13.940 -12.041 1.00 12.00 C ATOM 765 CG LYS A 79 -5.777 -14.610 -12.211 1.00 12.00 C ATOM 766 CD LYS A 79 -5.657 -15.290 -13.581 1.00 12.00 C ATOM 767 CE LYS A 79 -4.407 -16.160 -13.721 1.00 12.00 C ATOM 768 NZ LYS A 79 -4.527 -17.430 -12.971 1.00 12.00 N ATOM 0 H LYS A 79 -5.951 -11.178 -12.020 1.00 12.00 H new ATOM 0 HA LYS A 79 -6.639 -12.473 -13.614 1.00 12.00 H new ATOM 0 HB2 LYS A 79 -7.332 -13.791 -10.977 1.00 12.00 H new ATOM 0 HB3 LYS A 79 -7.915 -14.622 -12.405 1.00 12.00 H new ATOM 0 HG2 LYS A 79 -4.989 -13.865 -12.102 1.00 12.00 H new ATOM 0 HG3 LYS A 79 -5.630 -15.348 -11.422 1.00 12.00 H new ATOM 0 HD2 LYS A 79 -6.540 -15.906 -13.751 1.00 12.00 H new ATOM 0 HD3 LYS A 79 -5.647 -14.526 -14.358 1.00 12.00 H new ATOM 0 HE2 LYS A 79 -4.233 -16.377 -14.775 1.00 12.00 H new ATOM 0 HE3 LYS A 79 -3.539 -15.608 -13.361 1.00 12.00 H new ATOM 0 HZ1 LYS A 79 -3.658 -17.989 -13.093 1.00 12.00 H new ATOM 0 HZ2 LYS A 79 -4.668 -17.225 -11.961 1.00 12.00 H new ATOM 0 HZ3 LYS A 79 -5.340 -17.970 -13.331 1.00 12.00 H new ATOM 782 N ALA A 80 -9.257 -11.290 -13.491 1.00 12.00 N ATOM 783 CA ALA A 80 -10.597 -11.020 -14.051 1.00 12.00 C ATOM 784 C ALA A 80 -10.697 -9.610 -14.661 1.00 12.00 C ATOM 785 O ALA A 80 -10.757 -9.460 -15.871 1.00 12.00 O ATOM 786 CB ALA A 80 -11.677 -11.230 -12.971 1.00 12.00 C ATOM 0 H ALA A 80 -8.786 -10.452 -13.150 1.00 12.00 H new ATOM 0 HA ALA A 80 -10.765 -11.728 -14.862 1.00 12.00 H new ATOM 0 HB1 ALA A 80 -12.660 -11.028 -13.396 1.00 12.00 H new ATOM 0 HB2 ALA A 80 -11.640 -12.260 -12.615 1.00 12.00 H new ATOM 0 HB3 ALA A 80 -11.495 -10.551 -12.138 1.00 12.00 H new ATOM 792 N THR A 81 -10.507 -8.600 -13.811 1.00 12.00 N ATOM 793 CA THR A 81 -10.487 -7.170 -14.201 1.00 12.00 C ATOM 794 C THR A 81 -9.307 -6.740 -15.111 1.00 12.00 C ATOM 795 O THR A 81 -9.257 -5.620 -15.611 1.00 12.00 O ATOM 796 CB THR A 81 -10.577 -6.290 -12.931 1.00 12.00 C ATOM 797 OG1 THR A 81 -10.787 -4.930 -13.281 1.00 12.00 O ATOM 798 CG2 THR A 81 -9.367 -6.430 -11.991 1.00 12.00 C ATOM 0 H THR A 81 -10.359 -8.744 -12.812 1.00 12.00 H new ATOM 0 HA THR A 81 -11.363 -7.019 -14.832 1.00 12.00 H new ATOM 0 HB THR A 81 -11.436 -6.658 -12.369 1.00 12.00 H new ATOM 0 HG1 THR A 81 -10.423 -4.763 -14.176 1.00 12.00 H new ATOM 0 HG21 THR A 81 -9.503 -5.783 -11.124 1.00 12.00 H new ATOM 0 HG22 THR A 81 -9.280 -7.465 -11.661 1.00 12.00 H new ATOM 0 HG23 THR A 81 -8.459 -6.141 -12.521 1.00 12.00 H new ATOM 806 N ASN A 82 -8.387 -7.680 -15.361 1.00 12.00 N ATOM 807 CA ASN A 82 -7.077 -7.450 -16.041 1.00 12.00 C ATOM 808 C ASN A 82 -6.177 -6.290 -15.561 1.00 12.00 C ATOM 809 O ASN A 82 -5.077 -6.090 -16.081 1.00 12.00 O ATOM 810 CB ASN A 82 -7.237 -7.410 -17.561 1.00 12.00 C ATOM 811 CG ASN A 82 -7.127 -8.810 -18.181 1.00 12.00 C ATOM 812 OD1 ASN A 82 -6.627 -9.760 -17.601 1.00 12.00 O ATOM 813 ND2 ASN A 82 -7.587 -8.940 -19.401 1.00 12.00 N ATOM 0 H ASN A 82 -8.524 -8.655 -15.094 1.00 12.00 H new ATOM 0 HA ASN A 82 -6.515 -8.327 -15.720 1.00 12.00 H new ATOM 0 HB2 ASN A 82 -8.204 -6.975 -17.814 1.00 12.00 H new ATOM 0 HB3 ASN A 82 -6.474 -6.761 -17.990 1.00 12.00 H new ATOM 0 HD21 ASN A 82 -7.529 -9.842 -19.875 1.00 12.00 H new ATOM 0 HD22 ASN A 82 -8.003 -8.140 -19.877 1.00 12.00 H new ATOM 820 N VAL A 83 -6.577 -5.660 -14.471 1.00 12.00 N ATOM 821 CA VAL A 83 -5.827 -4.550 -13.861 1.00 12.00 C ATOM 822 C VAL A 83 -5.447 -4.910 -12.421 1.00 12.00 C ATOM 823 O VAL A 83 -6.257 -5.430 -11.651 1.00 12.00 O ATOM 824 CB VAL A 83 -6.577 -3.210 -14.021 1.00 12.00 C ATOM 825 CG1 VAL A 83 -7.877 -3.120 -13.211 1.00 12.00 C ATOM 826 CG2 VAL A 83 -5.657 -2.030 -13.701 1.00 12.00 C ATOM 0 H VAL A 83 -7.435 -5.897 -13.973 1.00 12.00 H new ATOM 0 HA VAL A 83 -4.887 -4.398 -14.392 1.00 12.00 H new ATOM 0 HB VAL A 83 -6.876 -3.163 -15.068 1.00 12.00 H new ATOM 0 HG11 VAL A 83 -8.343 -2.149 -13.378 1.00 12.00 H new ATOM 0 HG12 VAL A 83 -8.559 -3.909 -13.528 1.00 12.00 H new ATOM 0 HG13 VAL A 83 -7.654 -3.238 -12.151 1.00 12.00 H new ATOM 0 HG21 VAL A 83 -6.207 -1.097 -13.821 1.00 12.00 H new ATOM 0 HG22 VAL A 83 -5.303 -2.113 -12.674 1.00 12.00 H new ATOM 0 HG23 VAL A 83 -4.805 -2.038 -14.381 1.00 12.00 H new ATOM 836 N ALA A 84 -4.137 -4.890 -12.221 1.00 12.00 N ATOM 837 CA ALA A 84 -3.547 -5.090 -10.891 1.00 12.00 C ATOM 838 C ALA A 84 -3.897 -3.920 -9.961 1.00 12.00 C ATOM 839 O ALA A 84 -3.747 -2.760 -10.321 1.00 12.00 O ATOM 840 CB ALA A 84 -2.027 -5.230 -11.041 1.00 12.00 C ATOM 0 H ALA A 84 -3.454 -4.737 -12.963 1.00 12.00 H new ATOM 0 HA ALA A 84 -3.953 -5.997 -10.444 1.00 12.00 H new ATOM 0 HB1 ALA A 84 -1.577 -5.379 -10.060 1.00 12.00 H new ATOM 0 HB2 ALA A 84 -1.801 -6.086 -11.677 1.00 12.00 H new ATOM 0 HB3 ALA A 84 -1.621 -4.325 -11.493 1.00 12.00 H new ATOM 846 N HIS A 85 -4.607 -4.280 -8.891 1.00 12.00 N ATOM 847 CA HIS A 85 -4.917 -3.340 -7.811 1.00 12.00 C ATOM 848 C HIS A 85 -4.107 -3.640 -6.531 1.00 12.00 C ATOM 849 O HIS A 85 -3.297 -4.560 -6.501 1.00 12.00 O ATOM 850 CB HIS A 85 -6.437 -3.140 -7.591 1.00 12.00 C ATOM 851 CG HIS A 85 -7.267 -4.410 -7.371 1.00 12.00 C ATOM 852 ND1 HIS A 85 -8.017 -4.670 -6.301 1.00 12.00 N ATOM 853 CD2 HIS A 85 -7.637 -5.250 -8.331 1.00 12.00 C ATOM 854 CE1 HIS A 85 -8.847 -5.670 -6.601 1.00 12.00 C ATOM 855 NE2 HIS A 85 -8.607 -6.020 -7.861 1.00 12.00 N ATOM 0 H HIS A 85 -4.980 -5.219 -8.748 1.00 12.00 H new ATOM 0 HA HIS A 85 -4.576 -2.357 -8.136 1.00 12.00 H new ATOM 0 HB2 HIS A 85 -6.574 -2.488 -6.728 1.00 12.00 H new ATOM 0 HB3 HIS A 85 -6.841 -2.613 -8.456 1.00 12.00 H new ATOM 0 HD1 HIS A 85 -7.965 -4.186 -5.404 1.00 12.00 H new ATOM 0 HD2 HIS A 85 -7.218 -5.297 -9.325 1.00 12.00 H new ATOM 0 HE1 HIS A 85 -9.579 -6.114 -5.942 1.00 12.00 H new ATOM 864 N TRP A 86 -4.447 -2.940 -5.451 1.00 12.00 N ATOM 865 CA TRP A 86 -3.517 -2.750 -4.331 1.00 12.00 C ATOM 866 C TRP A 86 -3.887 -3.480 -3.031 1.00 12.00 C ATOM 867 O TRP A 86 -4.097 -2.870 -1.981 1.00 12.00 O ATOM 868 CB TRP A 86 -3.357 -1.240 -4.141 1.00 12.00 C ATOM 869 CG TRP A 86 -2.617 -0.600 -5.331 1.00 12.00 C ATOM 870 CD1 TRP A 86 -3.197 0.140 -6.271 1.00 12.00 C ATOM 871 CD2 TRP A 86 -1.247 -0.590 -5.561 1.00 12.00 C ATOM 872 NE1 TRP A 86 -2.257 0.650 -7.071 1.00 12.00 N ATOM 873 CE2 TRP A 86 -1.057 0.230 -6.691 1.00 12.00 C ATOM 874 CE3 TRP A 86 -0.157 -1.280 -4.991 1.00 12.00 C ATOM 875 CZ2 TRP A 86 0.223 0.390 -7.261 1.00 12.00 C ATOM 876 CZ3 TRP A 86 1.123 -1.140 -5.571 1.00 12.00 C ATOM 877 CH2 TRP A 86 1.303 -0.310 -6.701 1.00 12.00 C ATOM 0 H TRP A 86 -5.356 -2.495 -5.324 1.00 12.00 H new ATOM 0 HA TRP A 86 -2.568 -3.221 -4.587 1.00 12.00 H new ATOM 0 HB2 TRP A 86 -4.339 -0.779 -4.031 1.00 12.00 H new ATOM 0 HB3 TRP A 86 -2.807 -1.044 -3.220 1.00 12.00 H new ATOM 0 HD1 TRP A 86 -4.260 0.303 -6.372 1.00 12.00 H new ATOM 0 HE1 TRP A 86 -2.436 1.272 -7.859 1.00 12.00 H new ATOM 0 HE3 TRP A 86 -0.299 -1.907 -4.123 1.00 12.00 H new ATOM 0 HZ2 TRP A 86 0.369 1.039 -8.112 1.00 12.00 H new ATOM 0 HZ3 TRP A 86 1.966 -1.668 -5.150 1.00 12.00 H new ATOM 0 HH2 TRP A 86 2.285 -0.213 -7.140 1.00 12.00 H new ATOM 888 N THR A 87 -3.797 -4.810 -3.131 1.00 12.00 N ATOM 889 CA THR A 87 -4.167 -5.790 -2.071 1.00 12.00 C ATOM 890 C THR A 87 -5.297 -5.320 -1.111 1.00 12.00 C ATOM 891 O THR A 87 -6.237 -4.660 -1.561 1.00 12.00 O ATOM 892 CB THR A 87 -2.917 -6.280 -1.321 1.00 12.00 C ATOM 893 OG1 THR A 87 -2.047 -5.190 -0.971 1.00 12.00 O ATOM 894 CG2 THR A 87 -2.157 -7.340 -2.111 1.00 12.00 C ATOM 0 H THR A 87 -3.454 -5.263 -3.978 1.00 12.00 H new ATOM 0 HA THR A 87 -4.610 -6.639 -2.592 1.00 12.00 H new ATOM 0 HB THR A 87 -3.269 -6.742 -0.398 1.00 12.00 H new ATOM 0 HG1 THR A 87 -1.341 -5.514 -0.373 1.00 12.00 H new ATOM 0 HG21 THR A 87 -1.282 -7.658 -1.545 1.00 12.00 H new ATOM 0 HG22 THR A 87 -2.806 -8.198 -2.287 1.00 12.00 H new ATOM 0 HG23 THR A 87 -1.839 -6.923 -3.067 1.00 12.00 H new ATOM 902 N THR A 88 -5.377 -5.950 0.059 1.00 12.00 N ATOM 903 CA THR A 88 -6.107 -5.390 1.219 1.00 12.00 C ATOM 904 C THR A 88 -5.157 -5.410 2.439 1.00 12.00 C ATOM 905 O THR A 88 -5.057 -6.450 3.099 1.00 12.00 O ATOM 906 CB THR A 88 -7.397 -6.190 1.529 1.00 12.00 C ATOM 907 OG1 THR A 88 -8.207 -6.290 0.349 1.00 12.00 O ATOM 908 CG2 THR A 88 -8.227 -5.550 2.639 1.00 12.00 C ATOM 0 H THR A 88 -4.945 -6.856 0.240 1.00 12.00 H new ATOM 0 HA THR A 88 -6.416 -4.370 0.988 1.00 12.00 H new ATOM 0 HB THR A 88 -7.083 -7.178 1.866 1.00 12.00 H new ATOM 0 HG1 THR A 88 -9.020 -6.798 0.552 1.00 12.00 H new ATOM 0 HG21 THR A 88 -9.120 -6.149 2.817 1.00 12.00 H new ATOM 0 HG22 THR A 88 -7.635 -5.500 3.553 1.00 12.00 H new ATOM 0 HG23 THR A 88 -8.520 -4.543 2.340 1.00 12.00 H new ATOM 916 N PRO A 89 -4.357 -4.360 2.639 1.00 12.00 N ATOM 917 CA PRO A 89 -3.547 -4.230 3.869 1.00 12.00 C ATOM 918 C PRO A 89 -4.337 -3.490 4.959 1.00 12.00 C ATOM 919 O PRO A 89 -4.947 -2.460 4.699 1.00 12.00 O ATOM 920 CB PRO A 89 -2.307 -3.460 3.429 1.00 12.00 C ATOM 921 CG PRO A 89 -2.797 -2.580 2.279 1.00 12.00 C ATOM 922 CD PRO A 89 -3.877 -3.420 1.599 1.00 12.00 C ATOM 0 HA PRO A 89 -3.281 -5.191 4.309 1.00 12.00 H new ATOM 0 HB2 PRO A 89 -1.901 -2.860 4.244 1.00 12.00 H new ATOM 0 HB3 PRO A 89 -1.515 -4.134 3.104 1.00 12.00 H new ATOM 0 HG2 PRO A 89 -3.199 -1.635 2.644 1.00 12.00 H new ATOM 0 HG3 PRO A 89 -1.988 -2.338 1.590 1.00 12.00 H new ATOM 0 HD2 PRO A 89 -4.689 -2.793 1.231 1.00 12.00 H new ATOM 0 HD3 PRO A 89 -3.475 -3.957 0.740 1.00 12.00 H new ATOM 930 N SER A 90 -4.417 -4.120 6.139 1.00 12.00 N ATOM 931 CA SER A 90 -5.057 -3.510 7.319 1.00 12.00 C ATOM 932 C SER A 90 -4.337 -2.230 7.789 1.00 12.00 C ATOM 933 O SER A 90 -4.887 -1.140 7.699 1.00 12.00 O ATOM 934 CB SER A 90 -5.117 -4.490 8.499 1.00 12.00 C ATOM 935 OG SER A 90 -5.847 -5.660 8.139 1.00 12.00 O ATOM 0 H SER A 90 -4.046 -5.055 6.305 1.00 12.00 H new ATOM 0 HA SER A 90 -6.066 -3.250 6.999 1.00 12.00 H new ATOM 0 HB2 SER A 90 -4.107 -4.764 8.804 1.00 12.00 H new ATOM 0 HB3 SER A 90 -5.589 -4.009 9.356 1.00 12.00 H new ATOM 0 HG SER A 90 -5.875 -6.276 8.901 1.00 12.00 H new ATOM 941 N LEU A 91 -3.057 -2.400 8.089 1.00 12.00 N ATOM 942 CA LEU A 91 -2.177 -1.400 8.709 1.00 12.00 C ATOM 943 C LEU A 91 -2.727 -0.670 9.949 1.00 12.00 C ATOM 944 O LEU A 91 -3.627 0.160 9.899 1.00 12.00 O ATOM 945 CB LEU A 91 -1.617 -0.430 7.649 1.00 12.00 C ATOM 946 CG LEU A 91 -0.547 0.570 8.149 1.00 12.00 C ATOM 947 CD1 LEU A 91 -1.197 1.830 8.739 1.00 12.00 C ATOM 948 CD2 LEU A 91 0.553 -0.060 9.009 1.00 12.00 C ATOM 0 H LEU A 91 -2.574 -3.278 7.901 1.00 12.00 H new ATOM 0 HA LEU A 91 -1.358 -1.983 9.130 1.00 12.00 H new ATOM 0 HB2 LEU A 91 -1.187 -1.017 6.838 1.00 12.00 H new ATOM 0 HB3 LEU A 91 -2.447 0.136 7.227 1.00 12.00 H new ATOM 0 HG LEU A 91 0.011 0.903 7.274 1.00 12.00 H new ATOM 0 HD11 LEU A 91 -0.420 2.514 9.082 1.00 12.00 H new ATOM 0 HD12 LEU A 91 -1.800 2.320 7.975 1.00 12.00 H new ATOM 0 HD13 LEU A 91 -1.832 1.552 9.580 1.00 12.00 H new ATOM 0 HD21 LEU A 91 1.260 0.710 9.317 1.00 12.00 H new ATOM 0 HD22 LEU A 91 0.107 -0.517 9.892 1.00 12.00 H new ATOM 0 HD23 LEU A 91 1.075 -0.822 8.431 1.00 12.00 H new ATOM 960 N LYS A 92 -1.987 -0.880 11.039 1.00 12.00 N ATOM 961 CA LYS A 92 -2.137 -0.090 12.269 1.00 12.00 C ATOM 962 C LYS A 92 -0.837 0.640 12.649 1.00 12.00 C ATOM 963 O LYS A 92 0.023 0.130 13.369 1.00 12.00 O ATOM 964 CB LYS A 92 -2.717 -0.940 13.409 1.00 12.00 C ATOM 965 CG LYS A 92 -4.197 -1.180 13.139 1.00 12.00 C ATOM 966 CD LYS A 92 -4.867 -2.070 14.189 1.00 12.00 C ATOM 967 CE LYS A 92 -6.357 -2.170 13.869 1.00 12.00 C ATOM 968 NZ LYS A 92 -7.037 -3.030 14.849 1.00 12.00 N ATOM 0 H LYS A 92 -1.267 -1.600 11.097 1.00 12.00 H new ATOM 0 HA LYS A 92 -2.865 0.698 12.074 1.00 12.00 H new ATOM 0 HB2 LYS A 92 -2.187 -1.890 13.478 1.00 12.00 H new ATOM 0 HB3 LYS A 92 -2.585 -0.431 14.364 1.00 12.00 H new ATOM 0 HG2 LYS A 92 -4.713 -0.221 13.103 1.00 12.00 H new ATOM 0 HG3 LYS A 92 -4.310 -1.640 12.157 1.00 12.00 H new ATOM 0 HD2 LYS A 92 -4.413 -3.061 14.189 1.00 12.00 H new ATOM 0 HD3 LYS A 92 -4.722 -1.653 15.186 1.00 12.00 H new ATOM 0 HE2 LYS A 92 -6.804 -1.176 13.876 1.00 12.00 H new ATOM 0 HE3 LYS A 92 -6.493 -2.573 12.866 1.00 12.00 H new ATOM 0 HZ1 LYS A 92 -8.049 -3.087 14.617 1.00 12.00 H new ATOM 0 HZ2 LYS A 92 -6.621 -3.983 14.822 1.00 12.00 H new ATOM 0 HZ3 LYS A 92 -6.922 -2.629 15.802 1.00 12.00 H new ATOM 982 N CYS A 93 -0.627 1.750 11.939 1.00 12.00 N ATOM 983 CA CYS A 93 0.423 2.730 12.279 1.00 12.00 C ATOM 984 C CYS A 93 -0.047 3.560 13.469 1.00 12.00 C ATOM 985 O CYS A 93 -1.097 4.210 13.429 1.00 12.00 O ATOM 986 CB CYS A 93 0.783 3.690 11.149 1.00 12.00 C ATOM 987 SG CYS A 93 1.813 3.030 9.789 1.00 12.00 S ATOM 0 H CYS A 93 -1.173 2.000 11.115 1.00 12.00 H new ATOM 0 HA CYS A 93 1.318 2.148 12.497 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -0.144 4.068 10.718 1.00 12.00 H new ATOM 0 HB3 CYS A 93 1.303 4.544 11.584 1.00 12.00 H new ATOM 993 N ILE A 94 0.613 3.280 14.579 1.00 12.00 N ATOM 994 CA ILE A 94 0.493 4.010 15.849 1.00 12.00 C ATOM 995 C ILE A 94 1.893 4.270 16.409 1.00 12.00 C ATOM 996 O ILE A 94 2.793 3.440 16.289 1.00 12.00 O ATOM 997 CB ILE A 94 -0.397 3.290 16.879 1.00 12.00 C ATOM 998 CG1 ILE A 94 -0.017 1.810 17.079 1.00 12.00 C ATOM 999 CG2 ILE A 94 -1.877 3.500 16.519 1.00 12.00 C ATOM 1000 CD1 ILE A 94 -0.557 1.210 18.379 1.00 12.00 C ATOM 0 H ILE A 94 1.277 2.508 14.632 1.00 12.00 H new ATOM 0 HA ILE A 94 -0.006 4.957 15.645 1.00 12.00 H new ATOM 0 HB ILE A 94 -0.223 3.740 17.856 1.00 12.00 H new ATOM 0 HG12 ILE A 94 -0.394 1.230 16.237 1.00 12.00 H new ATOM 0 HG13 ILE A 94 1.069 1.718 17.069 1.00 12.00 H new ATOM 0 HG21 ILE A 94 -2.505 2.990 17.249 1.00 12.00 H new ATOM 0 HG22 ILE A 94 -2.105 4.566 16.526 1.00 12.00 H new ATOM 0 HG23 ILE A 94 -2.071 3.094 15.526 1.00 12.00 H new ATOM 0 HD11 ILE A 94 -0.251 0.166 18.453 1.00 12.00 H new ATOM 0 HD12 ILE A 94 -0.160 1.766 19.229 1.00 12.00 H new ATOM 0 HD13 ILE A 94 -1.645 1.270 18.383 1.00 12.00 H new ATOM 1012 N ARG A 95 2.103 5.510 16.829 1.00 12.00 N ATOM 1013 CA ARG A 95 3.343 5.960 17.509 1.00 12.00 C ATOM 1014 C ARG A 95 3.903 4.900 18.499 1.00 12.00 C ATOM 1015 O ARG A 95 3.143 4.190 19.139 1.00 12.00 O ATOM 1016 CB ARG A 95 3.013 7.310 18.159 1.00 12.00 C ATOM 1017 CG ARG A 95 1.883 7.260 19.199 1.00 12.00 C ATOM 1018 CD ARG A 95 2.453 7.310 20.619 1.00 12.00 C ATOM 1019 NE ARG A 95 2.123 8.610 21.239 1.00 12.00 N ATOM 1020 CZ ARG A 95 2.663 9.800 20.989 1.00 12.00 C ATOM 1021 NH1 ARG A 95 3.643 9.990 20.119 1.00 12.00 N ATOM 1022 NH2 ARG A 95 2.253 10.850 21.689 1.00 12.00 N ATOM 0 H ARG A 95 1.416 6.254 16.712 1.00 12.00 H new ATOM 0 HA ARG A 95 4.159 6.084 16.797 1.00 12.00 H new ATOM 0 HB2 ARG A 95 3.912 7.698 18.637 1.00 12.00 H new ATOM 0 HB3 ARG A 95 2.738 8.017 17.377 1.00 12.00 H new ATOM 0 HG2 ARG A 95 1.203 8.098 19.045 1.00 12.00 H new ATOM 0 HG3 ARG A 95 1.301 6.348 19.067 1.00 12.00 H new ATOM 0 HD2 ARG A 95 2.042 6.496 21.216 1.00 12.00 H new ATOM 0 HD3 ARG A 95 3.534 7.172 20.593 1.00 12.00 H new ATOM 0 HE ARG A 95 1.389 8.593 21.947 1.00 12.00 H new ATOM 0 HH11 ARG A 95 4.023 9.199 19.599 1.00 12.00 H new ATOM 0 HH12 ARG A 95 4.017 10.927 19.969 1.00 12.00 H new ATOM 0 HH21 ARG A 95 1.535 10.737 22.405 1.00 12.00 H new ATOM 0 HH22 ARG A 95 2.656 11.770 21.511 1.00 12.00 H new ATOM 1036 N ASP A 96 5.213 4.770 18.679 1.00 12.00 N ATOM 1037 CA ASP A 96 6.293 5.670 18.209 1.00 12.00 C ATOM 1038 C ASP A 96 7.343 5.050 17.259 1.00 12.00 C ATOM 1039 O ASP A 96 7.313 5.420 16.079 1.00 12.00 O ATOM 1040 CB ASP A 96 6.963 6.380 19.409 1.00 12.00 C ATOM 1041 CG ASP A 96 7.203 5.470 20.629 1.00 12.00 C ATOM 1042 OD1 ASP A 96 7.983 4.510 20.489 1.00 12.00 O ATOM 0 H ASP A 96 5.590 3.976 19.196 1.00 12.00 H new ATOM 0 HA ASP A 96 5.785 6.397 17.576 1.00 12.00 H new ATOM 0 HB2 ASP A 96 7.918 6.793 19.085 1.00 12.00 H new ATOM 0 HB3 ASP A 96 6.339 7.220 19.714 1.00 12.00 H new TER 1047 ASP A 96 CONECT 39 705 CONECT 472 987 CONECT 705 39 CONECT 987 472 END