USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) HEADER CYTOKINE 25-FEB-00 1EIG TITLE SOLUTION STRUCTURE OF THE HUMAN CHEMOKINE EOTAXIN-2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: EOTAXIN-2; COMPND 3 CHAIN: A; COMPND 4 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_PLASMID: PET28A KEYWDS CHEMOKINE, CHEMOTACTIC CYTOKINE, EOSINOPHIL CHEMOATTRACTANT EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR K.L.MAYER,M.J.STONE REVDAT 3 24-FEB-09 1EIG 1 VERSN REVDAT 2 01-APR-03 1EIG 1 JRNL REVDAT 1 06-DEC-00 1EIG 0 JRNL AUTH K.L.MAYER,M.J.STONE JRNL TITL NMR SOLUTION STRUCTURE AND RECEPTOR PEPTIDE JRNL TITL 2 BINDING OF THE CC CHEMOKINE EOTAXIN-2. JRNL REF BIOCHEMISTRY V. 39 8382 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 10913244 JRNL DOI 10.1021/BI000523J REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 98 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1000 STEPS AT 2000K, COOLED TO 1000K REMARK 3 FOR 3 PS (1000 STEPS AT 3 FS/STEP), SLOW COOLED FROM 1000K TO REMARK 3 100K (6000 STEPS AT 5 FS/STEP), 200 STEPS RESTRAINED ENERGY REMARK 3 MINIMIZATION REMARK 4 REMARK 4 1EIG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAR-00. REMARK 100 THE RCSB ID CODE IS RCSB010606. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.1 REMARK 210 IONIC STRENGTH : 20 MM ACETATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM EOTAXIN-2 U-15N/13C; 20 REMARK 210 MM NAOAC; 1 MM EOTAXIN-2 U- REMARK 210 15N,13C; 20 MM NAOAC; 1 MM REMARK 210 EOTAXIN-2 U-15N,13C; 20 MM REMARK 210 NAOAC; 1 MM EOTAXIN-2 10% 13C; REMARK 210 20 MM NAOAC REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITYINOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR, FELIX 98, X-PLOR 98 REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY/ REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE REMARK 210 NMR SPECTROSCOPY 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: 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 PRO A 4 -90.36 -71.99 REMARK 500 SER A 5 52.52 -165.30 REMARK 500 PRO A 6 -160.84 -72.25 REMARK 500 LYS A 14 -155.50 -168.37 REMARK 500 ARG A 15 -154.52 -85.60 REMARK 500 GLN A 46 102.74 -160.46 REMARK 500 LYS A 66 -70.80 -92.59 REMARK 500 GLN A 67 -71.62 -49.70 REMARK 500 LYS A 68 85.12 -62.81 REMARK 500 LYS A 69 77.95 -66.87 REMARK 500 ALA A 70 -82.65 -54.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 15 0.31 SIDE_CHAIN REMARK 500 ARG A 20 0.30 SIDE_CHAIN REMARK 500 ARG A 29 0.31 SIDE_CHAIN REMARK 500 ARG A 58 0.30 SIDE_CHAIN REMARK 500 ARG A 73 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EIH RELATED DB: PDB REMARK 900 20 STRUCTURES DBREF 1EIG A 1 73 UNP O00175 CCL24_HUMAN 27 99 SEQADV 1EIG SER A 47 UNP O00175 PHE 73 SEE REMARK 999 SEQRES 1 A 73 VAL VAL ILE PRO SER PRO CYS CYS MET PHE PHE VAL SER SEQRES 2 A 73 LYS ARG ILE PRO GLU ASN ARG VAL VAL SER TYR GLN LEU SEQRES 3 A 73 SER SER ARG SER THR CYS LEU LYS ALA GLY VAL ILE PHE SEQRES 4 A 73 THR THR LYS LYS GLY GLN GLN SER CYS GLY ASP PRO LYS SEQRES 5 A 73 GLN GLU TRP VAL GLN ARG TYR MET LYS ASN LEU ASP ALA SEQRES 6 A 73 LYS GLN LYS LYS ALA SER PRO ARG HELIX 1 1 GLN A 53 GLN A 67 1 15 SHEET 1 A 3 VAL A 21 LEU A 26 0 SHEET 2 A 3 VAL A 37 THR A 41 -1 O ILE A 38 N GLN A 25 SHEET 3 A 3 SER A 47 GLY A 49 -1 O SER A 47 N PHE A 39 SSBOND *** CYS A 7 CYS A 32 1555 1555 2.02 SSBOND *** CYS A 8 CYS A 48 1555 1555 2.02 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 1 VAL N :NH3+ 140:sc= -0.0282 (180deg=-1.28) USER MOD Set 1.2: A 67 GLN : amide:sc= 0 K(o=-0.028,f=-0.62) USER MOD Set 2.1: A 41 THR OG1 : rot -179:sc= -1.63 USER MOD Set 2.2: A 45 GLN : amide:sc= 0.234 K(o=-1.4,f=-3.5) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 60 MET CE :methyl -135:sc= -8.02! (180deg=-14.4!) USER MOD Single : A 5 SER OG : rot 150:sc=-0.00835 USER MOD Single : A 9 MET CE :methyl 162:sc= 0 (180deg=-0.427) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.267 K(o=-0.27,f=-2.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.732 K(o=-0.73,f=-3.5!) USER MOD Single : A 27 SER OG : rot -75:sc= -2.43 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -3.09! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.308 K(o=-0.31,f=-3.2!) USER MOD Single : A 57 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 153:sc= -0.0993! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.258 K(o=-0.26,f=-3.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.172) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= -0.279 (180deg=-1.97!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.226 7.851 7.840 1.00 5.47 N ATOM 2 CA VAL A 1 -4.825 8.200 8.213 1.00 5.10 C ATOM 3 C VAL A 1 -4.046 8.655 6.976 1.00 4.59 C ATOM 4 O VAL A 1 -4.510 8.536 5.859 1.00 4.50 O ATOM 5 CB VAL A 1 -4.233 6.909 8.779 1.00 5.47 C ATOM 6 CG1 VAL A 1 -4.200 5.838 7.687 1.00 5.55 C ATOM 7 CG2 VAL A 1 -2.809 7.176 9.273 1.00 6.04 C ATOM 0 H1 VAL A 1 -6.523 7.001 8.361 1.00 5.47 H new ATOM 0 H2 VAL A 1 -6.857 8.642 8.080 1.00 5.47 H new ATOM 0 H3 VAL A 1 -6.277 7.665 6.818 1.00 5.47 H new ATOM 0 HA VAL A 1 -4.780 9.017 8.933 1.00 5.10 H new ATOM 0 HB VAL A 1 -4.848 6.562 9.609 1.00 5.47 H new ATOM 0 HG11 VAL A 1 -3.778 4.918 8.092 1.00 5.55 H new ATOM 0 HG12 VAL A 1 -5.213 5.647 7.334 1.00 5.55 H new ATOM 0 HG13 VAL A 1 -3.585 6.184 6.856 1.00 5.55 H new ATOM 0 HG21 VAL A 1 -2.386 6.256 9.677 1.00 6.04 H new ATOM 0 HG22 VAL A 1 -2.195 7.524 8.442 1.00 6.04 H new ATOM 0 HG23 VAL A 1 -2.831 7.938 10.052 1.00 6.04 H new ATOM 19 N VAL A 2 -2.864 9.176 7.165 1.00 4.37 N ATOM 20 CA VAL A 2 -2.058 9.639 5.998 1.00 3.97 C ATOM 21 C VAL A 2 -0.567 9.520 6.302 1.00 3.51 C ATOM 22 O VAL A 2 -0.042 10.168 7.185 1.00 3.48 O ATOM 23 CB VAL A 2 -2.453 11.103 5.800 1.00 4.33 C ATOM 24 CG1 VAL A 2 -2.195 11.881 7.091 1.00 4.66 C ATOM 25 CG2 VAL A 2 -1.618 11.706 4.667 1.00 4.65 C ATOM 0 H VAL A 2 -2.422 9.301 8.076 1.00 4.37 H new ATOM 0 HA VAL A 2 -2.245 9.043 5.105 1.00 3.97 H new ATOM 0 HB VAL A 2 -3.511 11.163 5.546 1.00 4.33 H new ATOM 0 HG11 VAL A 2 -2.477 12.924 6.949 1.00 4.66 H new ATOM 0 HG12 VAL A 2 -2.787 11.452 7.899 1.00 4.66 H new ATOM 0 HG13 VAL A 2 -1.137 11.822 7.346 1.00 4.66 H new ATOM 0 HG21 VAL A 2 -1.898 12.750 4.524 1.00 4.65 H new ATOM 0 HG22 VAL A 2 -0.560 11.646 4.923 1.00 4.65 H new ATOM 0 HG23 VAL A 2 -1.800 11.152 3.746 1.00 4.65 H new ATOM 35 N ILE A 3 0.115 8.693 5.565 1.00 3.21 N ATOM 36 CA ILE A 3 1.574 8.510 5.782 1.00 2.79 C ATOM 37 C ILE A 3 2.330 9.779 5.365 1.00 2.65 C ATOM 38 O ILE A 3 1.988 10.408 4.383 1.00 2.69 O ATOM 39 CB ILE A 3 1.940 7.333 4.876 1.00 2.43 C ATOM 40 CG1 ILE A 3 3.460 7.173 4.816 1.00 2.09 C ATOM 41 CG2 ILE A 3 1.394 7.585 3.468 1.00 2.31 C ATOM 42 CD1 ILE A 3 3.871 5.977 5.672 1.00 2.14 C ATOM 0 H ILE A 3 -0.281 8.129 4.813 1.00 3.21 H new ATOM 0 HA ILE A 3 1.832 8.324 6.825 1.00 2.79 H new ATOM 0 HB ILE A 3 1.502 6.420 5.280 1.00 2.43 H new ATOM 0 HG12 ILE A 3 3.782 7.026 3.785 1.00 2.09 H new ATOM 0 HG13 ILE A 3 3.948 8.079 5.176 1.00 2.09 H new ATOM 0 HG21 ILE A 3 1.654 6.747 2.821 1.00 2.31 H new ATOM 0 HG22 ILE A 3 0.310 7.687 3.511 1.00 2.31 H new ATOM 0 HG23 ILE A 3 1.829 8.501 3.068 1.00 2.31 H new ATOM 0 HD11 ILE A 3 4.954 5.857 5.634 1.00 2.14 H new ATOM 0 HD12 ILE A 3 3.561 6.144 6.703 1.00 2.14 H new ATOM 0 HD13 ILE A 3 3.392 5.075 5.291 1.00 2.14 H new ATOM 54 N PRO A 4 3.335 10.115 6.132 1.00 2.82 N ATOM 55 CA PRO A 4 4.144 11.324 5.839 1.00 2.85 C ATOM 56 C PRO A 4 5.025 11.097 4.605 1.00 2.35 C ATOM 57 O PRO A 4 4.622 11.362 3.490 1.00 2.75 O ATOM 58 CB PRO A 4 4.988 11.506 7.098 1.00 3.42 C ATOM 59 CG PRO A 4 5.071 10.144 7.711 1.00 3.63 C ATOM 60 CD PRO A 4 3.810 9.411 7.331 1.00 3.32 C ATOM 0 HA PRO A 4 3.538 12.202 5.613 1.00 2.85 H new ATOM 0 HB2 PRO A 4 5.979 11.891 6.856 1.00 3.42 H new ATOM 0 HB3 PRO A 4 4.527 12.219 7.782 1.00 3.42 H new ATOM 0 HG2 PRO A 4 5.950 9.611 7.349 1.00 3.63 H new ATOM 0 HG3 PRO A 4 5.164 10.214 8.795 1.00 3.63 H new ATOM 0 HD2 PRO A 4 4.007 8.359 7.124 1.00 3.32 H new ATOM 0 HD3 PRO A 4 3.072 9.445 8.132 1.00 3.32 H new ATOM 68 N SER A 5 6.224 10.612 4.790 1.00 1.97 N ATOM 69 CA SER A 5 7.117 10.376 3.620 1.00 2.06 C ATOM 70 C SER A 5 8.298 9.485 4.019 1.00 1.68 C ATOM 71 O SER A 5 9.439 9.828 3.782 1.00 1.73 O ATOM 72 CB SER A 5 7.609 11.764 3.212 1.00 2.55 C ATOM 73 OG SER A 5 7.722 11.825 1.797 1.00 3.20 O ATOM 0 H SER A 5 6.622 10.370 5.697 1.00 1.97 H new ATOM 0 HA SER A 5 6.600 9.868 2.805 1.00 2.06 H new ATOM 0 HB2 SER A 5 6.916 12.527 3.566 1.00 2.55 H new ATOM 0 HB3 SER A 5 8.574 11.971 3.675 1.00 2.55 H new ATOM 0 HG SER A 5 7.560 12.743 1.495 1.00 3.20 H new ATOM 79 N PRO A 6 7.983 8.362 4.611 1.00 1.50 N ATOM 80 CA PRO A 6 9.035 7.410 5.042 1.00 1.37 C ATOM 81 C PRO A 6 9.656 6.715 3.827 1.00 1.21 C ATOM 82 O PRO A 6 9.550 7.185 2.712 1.00 1.88 O ATOM 83 CB PRO A 6 8.282 6.413 5.916 1.00 1.63 C ATOM 84 CG PRO A 6 6.869 6.481 5.444 1.00 1.77 C ATOM 85 CD PRO A 6 6.637 7.878 4.932 1.00 1.71 C ATOM 0 HA PRO A 6 9.859 7.891 5.570 1.00 1.37 H new ATOM 0 HB2 PRO A 6 8.687 5.407 5.807 1.00 1.63 H new ATOM 0 HB3 PRO A 6 8.359 6.675 6.971 1.00 1.63 H new ATOM 0 HG2 PRO A 6 6.691 5.748 4.657 1.00 1.77 H new ATOM 0 HG3 PRO A 6 6.180 6.250 6.257 1.00 1.77 H new ATOM 0 HD2 PRO A 6 5.991 7.880 4.054 1.00 1.71 H new ATOM 0 HD3 PRO A 6 6.155 8.504 5.683 1.00 1.71 H new ATOM 93 N CYS A 7 10.304 5.601 4.031 1.00 0.90 N ATOM 94 CA CYS A 7 10.929 4.884 2.883 1.00 0.77 C ATOM 95 C CYS A 7 10.921 3.373 3.131 1.00 0.72 C ATOM 96 O CYS A 7 10.213 2.878 3.986 1.00 1.01 O ATOM 97 CB CYS A 7 12.363 5.411 2.819 1.00 0.96 C ATOM 98 SG CYS A 7 12.902 5.484 1.093 1.00 1.18 S ATOM 0 H CYS A 7 10.428 5.157 4.941 1.00 0.90 H new ATOM 0 HA CYS A 7 10.391 5.053 1.950 1.00 0.77 H new ATOM 0 HB2 CYS A 7 12.418 6.401 3.271 1.00 0.96 H new ATOM 0 HB3 CYS A 7 13.026 4.762 3.391 1.00 0.96 H new ATOM 103 N CYS A 8 11.702 2.637 2.388 1.00 0.80 N ATOM 104 CA CYS A 8 11.738 1.159 2.579 1.00 0.87 C ATOM 105 C CYS A 8 13.157 0.630 2.360 1.00 0.83 C ATOM 106 O CYS A 8 14.079 1.380 2.110 1.00 1.00 O ATOM 107 CB CYS A 8 10.791 0.603 1.516 1.00 1.15 C ATOM 108 SG CYS A 8 9.090 0.673 2.126 1.00 1.23 S ATOM 0 H CYS A 8 12.317 2.995 1.657 1.00 0.80 H new ATOM 0 HA CYS A 8 11.443 0.865 3.586 1.00 0.87 H new ATOM 0 HB2 CYS A 8 10.882 1.179 0.595 1.00 1.15 H new ATOM 0 HB3 CYS A 8 11.060 -0.426 1.276 1.00 1.15 H new ATOM 113 N MET A 9 13.338 -0.660 2.448 1.00 0.75 N ATOM 114 CA MET A 9 14.696 -1.239 2.242 1.00 0.82 C ATOM 115 C MET A 9 14.683 -2.191 1.043 1.00 0.76 C ATOM 116 O MET A 9 15.646 -2.297 0.310 1.00 1.11 O ATOM 117 CB MET A 9 15.003 -2.002 3.531 1.00 1.02 C ATOM 118 CG MET A 9 16.437 -2.532 3.481 1.00 1.52 C ATOM 119 SD MET A 9 17.220 -2.303 5.097 1.00 2.40 S ATOM 120 CE MET A 9 16.090 -3.349 6.047 1.00 3.03 C ATOM 0 H MET A 9 12.604 -1.338 2.654 1.00 0.75 H new ATOM 0 HA MET A 9 15.446 -0.475 2.035 1.00 0.82 H new ATOM 0 HB2 MET A 9 14.876 -1.347 4.393 1.00 1.02 H new ATOM 0 HB3 MET A 9 14.303 -2.828 3.653 1.00 1.02 H new ATOM 0 HG2 MET A 9 16.437 -3.588 3.211 1.00 1.52 H new ATOM 0 HG3 MET A 9 17.004 -2.007 2.712 1.00 1.52 H new ATOM 0 HE1 MET A 9 16.552 -3.614 6.998 1.00 3.03 H new ATOM 0 HE2 MET A 9 15.163 -2.807 6.233 1.00 3.03 H new ATOM 0 HE3 MET A 9 15.873 -4.256 5.483 1.00 3.03 H new ATOM 130 N PHE A 10 13.596 -2.883 0.837 1.00 0.61 N ATOM 131 CA PHE A 10 13.517 -3.827 -0.315 1.00 0.56 C ATOM 132 C PHE A 10 12.101 -3.831 -0.897 1.00 0.49 C ATOM 133 O PHE A 10 11.183 -3.276 -0.325 1.00 0.65 O ATOM 134 CB PHE A 10 13.864 -5.198 0.270 1.00 0.69 C ATOM 135 CG PHE A 10 12.770 -5.641 1.215 1.00 0.71 C ATOM 136 CD1 PHE A 10 12.708 -5.113 2.510 1.00 0.90 C ATOM 137 CD2 PHE A 10 11.819 -6.578 0.794 1.00 0.74 C ATOM 138 CE1 PHE A 10 11.694 -5.523 3.384 1.00 0.99 C ATOM 139 CE2 PHE A 10 10.805 -6.988 1.669 1.00 0.80 C ATOM 140 CZ PHE A 10 10.743 -6.460 2.964 1.00 0.87 C ATOM 0 H PHE A 10 12.758 -2.836 1.417 1.00 0.61 H new ATOM 0 HA PHE A 10 14.192 -3.549 -1.125 1.00 0.56 H new ATOM 0 HB2 PHE A 10 13.982 -5.927 -0.532 1.00 0.69 H new ATOM 0 HB3 PHE A 10 14.816 -5.148 0.798 1.00 0.69 H new ATOM 0 HD1 PHE A 10 13.442 -4.390 2.835 1.00 0.90 H new ATOM 0 HD2 PHE A 10 11.867 -6.985 -0.205 1.00 0.74 H new ATOM 0 HE1 PHE A 10 11.646 -5.116 4.383 1.00 0.99 H new ATOM 0 HE2 PHE A 10 10.071 -7.711 1.345 1.00 0.80 H new ATOM 0 HZ PHE A 10 9.961 -6.776 3.639 1.00 0.87 H new ATOM 150 N PHE A 11 11.915 -4.455 -2.027 1.00 0.45 N ATOM 151 CA PHE A 11 10.556 -4.495 -2.638 1.00 0.38 C ATOM 152 C PHE A 11 9.903 -5.854 -2.376 1.00 0.37 C ATOM 153 O PHE A 11 10.555 -6.879 -2.394 1.00 0.42 O ATOM 154 CB PHE A 11 10.786 -4.292 -4.137 1.00 0.39 C ATOM 155 CG PHE A 11 10.182 -2.977 -4.570 1.00 0.37 C ATOM 156 CD1 PHE A 11 8.919 -2.596 -4.102 1.00 0.60 C ATOM 157 CD2 PHE A 11 10.887 -2.139 -5.441 1.00 0.67 C ATOM 158 CE1 PHE A 11 8.361 -1.378 -4.505 1.00 0.62 C ATOM 159 CE2 PHE A 11 10.329 -0.920 -5.844 1.00 0.66 C ATOM 160 CZ PHE A 11 9.066 -0.539 -5.376 1.00 0.38 C ATOM 0 H PHE A 11 12.643 -4.938 -2.553 1.00 0.45 H new ATOM 0 HA PHE A 11 9.894 -3.736 -2.222 1.00 0.38 H new ATOM 0 HB2 PHE A 11 11.854 -4.303 -4.356 1.00 0.39 H new ATOM 0 HB3 PHE A 11 10.337 -5.112 -4.698 1.00 0.39 H new ATOM 0 HD1 PHE A 11 8.375 -3.243 -3.429 1.00 0.60 H new ATOM 0 HD2 PHE A 11 11.862 -2.433 -5.802 1.00 0.67 H new ATOM 0 HE1 PHE A 11 7.386 -1.085 -4.144 1.00 0.62 H new ATOM 0 HE2 PHE A 11 10.873 -0.273 -6.516 1.00 0.66 H new ATOM 0 HZ PHE A 11 8.636 0.402 -5.687 1.00 0.38 H new ATOM 170 N VAL A 12 8.621 -5.872 -2.132 1.00 0.34 N ATOM 171 CA VAL A 12 7.929 -7.167 -1.870 1.00 0.34 C ATOM 172 C VAL A 12 8.298 -8.192 -2.944 1.00 0.38 C ATOM 173 O VAL A 12 8.406 -7.870 -4.110 1.00 0.41 O ATOM 174 CB VAL A 12 6.433 -6.849 -1.937 1.00 0.31 C ATOM 175 CG1 VAL A 12 6.007 -6.107 -0.671 1.00 0.33 C ATOM 176 CG2 VAL A 12 6.141 -5.975 -3.163 1.00 0.28 C ATOM 0 H VAL A 12 8.023 -5.046 -2.103 1.00 0.34 H new ATOM 0 HA VAL A 12 8.213 -7.591 -0.907 1.00 0.34 H new ATOM 0 HB VAL A 12 5.874 -7.781 -2.017 1.00 0.31 H new ATOM 0 HG11 VAL A 12 4.942 -5.882 -0.722 1.00 0.33 H new ATOM 0 HG12 VAL A 12 6.205 -6.731 0.200 1.00 0.33 H new ATOM 0 HG13 VAL A 12 6.570 -5.178 -0.587 1.00 0.33 H new ATOM 0 HG21 VAL A 12 5.075 -5.752 -3.205 1.00 0.28 H new ATOM 0 HG22 VAL A 12 6.704 -5.044 -3.089 1.00 0.28 H new ATOM 0 HG23 VAL A 12 6.437 -6.507 -4.068 1.00 0.28 H new ATOM 186 N SER A 13 8.482 -9.427 -2.564 1.00 0.45 N ATOM 187 CA SER A 13 8.830 -10.465 -3.574 1.00 0.51 C ATOM 188 C SER A 13 7.719 -10.548 -4.622 1.00 0.46 C ATOM 189 O SER A 13 7.912 -11.049 -5.712 1.00 0.52 O ATOM 190 CB SER A 13 8.927 -11.771 -2.786 1.00 0.59 C ATOM 191 OG SER A 13 10.001 -11.680 -1.859 1.00 1.47 O ATOM 0 H SER A 13 8.407 -9.760 -1.603 1.00 0.45 H new ATOM 0 HA SER A 13 9.759 -10.246 -4.101 1.00 0.51 H new ATOM 0 HB2 SER A 13 7.992 -11.962 -2.260 1.00 0.59 H new ATOM 0 HB3 SER A 13 9.087 -12.608 -3.465 1.00 0.59 H new ATOM 0 HG SER A 13 10.066 -12.515 -1.350 1.00 1.47 H new ATOM 197 N LYS A 14 6.556 -10.052 -4.296 1.00 0.38 N ATOM 198 CA LYS A 14 5.425 -10.088 -5.264 1.00 0.38 C ATOM 199 C LYS A 14 4.282 -9.202 -4.763 1.00 0.35 C ATOM 200 O LYS A 14 4.490 -8.279 -4.002 1.00 0.42 O ATOM 201 CB LYS A 14 4.992 -11.554 -5.318 1.00 0.44 C ATOM 202 CG LYS A 14 4.497 -11.992 -3.937 1.00 1.12 C ATOM 203 CD LYS A 14 4.100 -13.469 -3.982 1.00 1.43 C ATOM 204 CE LYS A 14 4.372 -14.113 -2.621 1.00 2.19 C ATOM 205 NZ LYS A 14 3.881 -15.513 -2.753 1.00 2.81 N ATOM 0 H LYS A 14 6.341 -9.622 -3.397 1.00 0.38 H new ATOM 0 HA LYS A 14 5.708 -9.716 -6.249 1.00 0.38 H new ATOM 0 HB2 LYS A 14 4.202 -11.684 -6.057 1.00 0.44 H new ATOM 0 HB3 LYS A 14 5.828 -12.180 -5.632 1.00 0.44 H new ATOM 0 HG2 LYS A 14 5.278 -11.837 -3.193 1.00 1.12 H new ATOM 0 HG3 LYS A 14 3.644 -11.384 -3.635 1.00 1.12 H new ATOM 0 HD2 LYS A 14 3.045 -13.565 -4.237 1.00 1.43 H new ATOM 0 HD3 LYS A 14 4.664 -13.985 -4.759 1.00 1.43 H new ATOM 0 HE2 LYS A 14 5.434 -14.088 -2.378 1.00 2.19 H new ATOM 0 HE3 LYS A 14 3.850 -13.585 -1.823 1.00 2.19 H new ATOM 0 HZ1 LYS A 14 4.033 -16.020 -1.858 1.00 2.81 H new ATOM 0 HZ2 LYS A 14 2.866 -15.505 -2.978 1.00 2.81 H new ATOM 0 HZ3 LYS A 14 4.401 -15.993 -3.515 1.00 2.81 H new ATOM 219 N ARG A 15 3.078 -9.473 -5.183 1.00 0.36 N ATOM 220 CA ARG A 15 1.928 -8.642 -4.727 1.00 0.35 C ATOM 221 C ARG A 15 1.396 -9.163 -3.388 1.00 0.36 C ATOM 222 O ARG A 15 2.111 -9.778 -2.622 1.00 0.61 O ATOM 223 CB ARG A 15 0.874 -8.796 -5.823 1.00 0.42 C ATOM 224 CG ARG A 15 0.461 -10.264 -5.928 1.00 1.02 C ATOM 225 CD ARG A 15 1.006 -10.854 -7.230 1.00 1.62 C ATOM 226 NE ARG A 15 -0.156 -11.545 -7.855 1.00 1.71 N ATOM 227 CZ ARG A 15 0.040 -12.556 -8.657 1.00 2.35 C ATOM 228 NH1 ARG A 15 0.477 -12.352 -9.869 1.00 2.71 N ATOM 229 NH2 ARG A 15 -0.201 -13.771 -8.246 1.00 3.04 N ATOM 0 H ARG A 15 2.840 -10.232 -5.821 1.00 0.36 H new ATOM 0 HA ARG A 15 2.205 -7.599 -4.571 1.00 0.35 H new ATOM 0 HB2 ARG A 15 0.005 -8.178 -5.597 1.00 0.42 H new ATOM 0 HB3 ARG A 15 1.272 -8.450 -6.777 1.00 0.42 H new ATOM 0 HG2 ARG A 15 0.844 -10.823 -5.074 1.00 1.02 H new ATOM 0 HG3 ARG A 15 -0.625 -10.350 -5.904 1.00 1.02 H new ATOM 0 HD2 ARG A 15 1.399 -10.075 -7.882 1.00 1.62 H new ATOM 0 HD3 ARG A 15 1.822 -11.550 -7.037 1.00 1.62 H new ATOM 0 HE ARG A 15 -1.105 -11.228 -7.656 1.00 1.71 H new ATOM 0 HH11 ARG A 15 0.666 -11.402 -10.190 1.00 2.71 H new ATOM 0 HH12 ARG A 15 0.630 -13.142 -10.496 1.00 2.71 H new ATOM 0 HH21 ARG A 15 -0.542 -13.930 -7.298 1.00 3.04 H new ATOM 0 HH22 ARG A 15 -0.048 -14.561 -8.873 1.00 3.04 H new ATOM 243 N ILE A 16 0.147 -8.917 -3.100 1.00 0.25 N ATOM 244 CA ILE A 16 -0.432 -9.394 -1.809 1.00 0.25 C ATOM 245 C ILE A 16 -1.881 -9.840 -2.025 1.00 0.26 C ATOM 246 O ILE A 16 -2.491 -9.482 -3.010 1.00 0.28 O ATOM 247 CB ILE A 16 -0.386 -8.182 -0.865 1.00 0.22 C ATOM 248 CG1 ILE A 16 0.707 -7.202 -1.316 1.00 0.20 C ATOM 249 CG2 ILE A 16 -0.091 -8.662 0.556 1.00 0.29 C ATOM 250 CD1 ILE A 16 0.910 -6.113 -0.256 1.00 0.22 C ATOM 0 H ILE A 16 -0.499 -8.406 -3.702 1.00 0.25 H new ATOM 0 HA ILE A 16 0.117 -10.243 -1.402 1.00 0.25 H new ATOM 0 HB ILE A 16 -1.348 -7.671 -0.889 1.00 0.22 H new ATOM 0 HG12 ILE A 16 1.641 -7.738 -1.481 1.00 0.20 H new ATOM 0 HG13 ILE A 16 0.429 -6.747 -2.267 1.00 0.20 H new ATOM 0 HG21 ILE A 16 -0.057 -7.806 1.230 1.00 0.29 H new ATOM 0 HG22 ILE A 16 -0.875 -9.347 0.879 1.00 0.29 H new ATOM 0 HG23 ILE A 16 0.870 -9.176 0.574 1.00 0.29 H new ATOM 0 HD11 ILE A 16 1.687 -5.424 -0.586 1.00 0.22 H new ATOM 0 HD12 ILE A 16 -0.022 -5.567 -0.112 1.00 0.22 H new ATOM 0 HD13 ILE A 16 1.210 -6.573 0.686 1.00 0.22 H new ATOM 262 N PRO A 17 -2.393 -10.602 -1.093 1.00 0.28 N ATOM 263 CA PRO A 17 -3.785 -11.076 -1.188 1.00 0.30 C ATOM 264 C PRO A 17 -4.733 -10.028 -0.595 1.00 0.28 C ATOM 265 O PRO A 17 -4.725 -9.773 0.592 1.00 0.28 O ATOM 266 CB PRO A 17 -3.781 -12.352 -0.359 1.00 0.35 C ATOM 267 CG PRO A 17 -2.645 -12.205 0.606 1.00 0.34 C ATOM 268 CD PRO A 17 -1.739 -11.097 0.116 1.00 0.29 C ATOM 0 HA PRO A 17 -4.122 -11.247 -2.210 1.00 0.30 H new ATOM 0 HB2 PRO A 17 -4.727 -12.480 0.167 1.00 0.35 H new ATOM 0 HB3 PRO A 17 -3.646 -13.229 -0.992 1.00 0.35 H new ATOM 0 HG2 PRO A 17 -3.022 -11.973 1.602 1.00 0.34 H new ATOM 0 HG3 PRO A 17 -2.091 -13.140 0.684 1.00 0.34 H new ATOM 0 HD2 PRO A 17 -1.635 -10.309 0.862 1.00 0.29 H new ATOM 0 HD3 PRO A 17 -0.737 -11.468 -0.098 1.00 0.29 H new ATOM 276 N GLU A 18 -5.536 -9.409 -1.419 1.00 0.29 N ATOM 277 CA GLU A 18 -6.478 -8.362 -0.917 1.00 0.29 C ATOM 278 C GLU A 18 -7.174 -8.817 0.371 1.00 0.31 C ATOM 279 O GLU A 18 -7.574 -8.010 1.187 1.00 0.36 O ATOM 280 CB GLU A 18 -7.500 -8.186 -2.040 1.00 0.36 C ATOM 281 CG GLU A 18 -8.095 -6.778 -1.974 1.00 1.12 C ATOM 282 CD GLU A 18 -9.622 -6.870 -1.930 1.00 1.56 C ATOM 283 OE1 GLU A 18 -10.178 -7.555 -2.773 1.00 2.31 O ATOM 284 OE2 GLU A 18 -10.208 -6.255 -1.055 1.00 1.88 O ATOM 0 H GLU A 18 -5.581 -9.583 -2.423 1.00 0.29 H new ATOM 0 HA GLU A 18 -5.960 -7.434 -0.675 1.00 0.29 H new ATOM 0 HB2 GLU A 18 -7.024 -8.346 -3.007 1.00 0.36 H new ATOM 0 HB3 GLU A 18 -8.290 -8.931 -1.947 1.00 0.36 H new ATOM 0 HG2 GLU A 18 -7.726 -6.257 -1.091 1.00 1.12 H new ATOM 0 HG3 GLU A 18 -7.780 -6.198 -2.841 1.00 1.12 H new ATOM 291 N ASN A 19 -7.327 -10.098 0.561 1.00 0.31 N ATOM 292 CA ASN A 19 -8.002 -10.591 1.797 1.00 0.35 C ATOM 293 C ASN A 19 -7.099 -10.397 3.021 1.00 0.33 C ATOM 294 O ASN A 19 -7.500 -10.641 4.141 1.00 0.38 O ATOM 295 CB ASN A 19 -8.249 -12.078 1.545 1.00 0.39 C ATOM 296 CG ASN A 19 -9.705 -12.417 1.868 1.00 1.10 C ATOM 297 OD1 ASN A 19 -10.400 -11.635 2.487 1.00 1.80 O ATOM 298 ND2 ASN A 19 -10.201 -13.557 1.472 1.00 1.72 N ATOM 0 H ASN A 19 -7.015 -10.824 -0.084 1.00 0.31 H new ATOM 0 HA ASN A 19 -8.925 -10.049 2.002 1.00 0.35 H new ATOM 0 HB2 ASN A 19 -8.030 -12.323 0.506 1.00 0.39 H new ATOM 0 HB3 ASN A 19 -7.580 -12.678 2.162 1.00 0.39 H new ATOM 0 HD21 ASN A 19 -11.171 -13.791 1.682 1.00 1.72 H new ATOM 0 HD22 ASN A 19 -9.619 -14.214 0.953 1.00 1.72 H new ATOM 305 N ARG A 20 -5.882 -9.970 2.818 1.00 0.30 N ATOM 306 CA ARG A 20 -4.959 -9.774 3.967 1.00 0.30 C ATOM 307 C ARG A 20 -4.534 -8.308 4.074 1.00 0.26 C ATOM 308 O ARG A 20 -4.317 -7.790 5.151 1.00 0.28 O ATOM 309 CB ARG A 20 -3.757 -10.651 3.635 1.00 0.29 C ATOM 310 CG ARG A 20 -4.149 -12.122 3.762 1.00 0.32 C ATOM 311 CD ARG A 20 -2.959 -12.924 4.293 1.00 0.40 C ATOM 312 NE ARG A 20 -3.438 -14.334 4.343 1.00 0.78 N ATOM 313 CZ ARG A 20 -2.921 -15.168 5.203 1.00 1.32 C ATOM 314 NH1 ARG A 20 -3.225 -15.072 6.469 1.00 2.31 N ATOM 315 NH2 ARG A 20 -2.100 -16.098 4.798 1.00 1.54 N ATOM 0 H ARG A 20 -5.489 -9.749 1.903 1.00 0.30 H new ATOM 0 HA ARG A 20 -5.420 -10.034 4.920 1.00 0.30 H new ATOM 0 HB2 ARG A 20 -3.410 -10.442 2.623 1.00 0.29 H new ATOM 0 HB3 ARG A 20 -2.931 -10.424 4.309 1.00 0.29 H new ATOM 0 HG2 ARG A 20 -5.000 -12.226 4.435 1.00 0.32 H new ATOM 0 HG3 ARG A 20 -4.460 -12.511 2.793 1.00 0.32 H new ATOM 0 HD2 ARG A 20 -2.092 -12.824 3.640 1.00 0.40 H new ATOM 0 HD3 ARG A 20 -2.656 -12.575 5.280 1.00 0.40 H new ATOM 0 HE ARG A 20 -4.170 -14.647 3.705 1.00 0.78 H new ATOM 0 HH11 ARG A 20 -3.867 -14.345 6.786 1.00 2.31 H new ATOM 0 HH12 ARG A 20 -2.821 -15.724 7.141 1.00 2.31 H new ATOM 0 HH21 ARG A 20 -1.862 -16.173 3.809 1.00 1.54 H new ATOM 0 HH22 ARG A 20 -1.696 -16.750 5.471 1.00 1.54 H new ATOM 329 N VAL A 21 -4.405 -7.640 2.963 1.00 0.24 N ATOM 330 CA VAL A 21 -3.982 -6.209 2.998 1.00 0.21 C ATOM 331 C VAL A 21 -5.094 -5.337 3.584 1.00 0.23 C ATOM 332 O VAL A 21 -6.252 -5.705 3.580 1.00 0.27 O ATOM 333 CB VAL A 21 -3.728 -5.826 1.541 1.00 0.21 C ATOM 334 CG1 VAL A 21 -3.115 -4.425 1.488 1.00 0.20 C ATOM 335 CG2 VAL A 21 -2.764 -6.830 0.905 1.00 0.21 C ATOM 0 H VAL A 21 -4.573 -8.021 2.032 1.00 0.24 H new ATOM 0 HA VAL A 21 -3.099 -6.065 3.620 1.00 0.21 H new ATOM 0 HB VAL A 21 -4.670 -5.836 0.992 1.00 0.21 H new ATOM 0 HG11 VAL A 21 -2.932 -4.147 0.450 1.00 0.20 H new ATOM 0 HG12 VAL A 21 -3.803 -3.710 1.939 1.00 0.20 H new ATOM 0 HG13 VAL A 21 -2.173 -4.419 2.037 1.00 0.20 H new ATOM 0 HG21 VAL A 21 -2.585 -6.554 -0.134 1.00 0.21 H new ATOM 0 HG22 VAL A 21 -1.820 -6.824 1.450 1.00 0.21 H new ATOM 0 HG23 VAL A 21 -3.200 -7.828 0.945 1.00 0.21 H new ATOM 345 N VAL A 22 -4.752 -4.182 4.088 1.00 0.23 N ATOM 346 CA VAL A 22 -5.789 -3.291 4.672 1.00 0.26 C ATOM 347 C VAL A 22 -5.680 -1.883 4.087 1.00 0.24 C ATOM 348 O VAL A 22 -6.670 -1.218 3.855 1.00 0.26 O ATOM 349 CB VAL A 22 -5.505 -3.256 6.176 1.00 0.28 C ATOM 350 CG1 VAL A 22 -6.222 -4.416 6.857 1.00 0.32 C ATOM 351 CG2 VAL A 22 -4.000 -3.371 6.438 1.00 0.28 C ATOM 0 H VAL A 22 -3.799 -3.819 4.119 1.00 0.23 H new ATOM 0 HA VAL A 22 -6.794 -3.654 4.454 1.00 0.26 H new ATOM 0 HB VAL A 22 -5.865 -2.309 6.578 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -6.019 -4.391 7.928 1.00 0.32 H new ATOM 0 HG12 VAL A 22 -7.295 -4.330 6.689 1.00 0.32 H new ATOM 0 HG13 VAL A 22 -5.864 -5.359 6.442 1.00 0.32 H new ATOM 0 HG21 VAL A 22 -3.815 -3.345 7.512 1.00 0.28 H new ATOM 0 HG22 VAL A 22 -3.630 -4.311 6.029 1.00 0.28 H new ATOM 0 HG23 VAL A 22 -3.483 -2.539 5.960 1.00 0.28 H new ATOM 361 N SER A 23 -4.485 -1.416 3.858 1.00 0.20 N ATOM 362 CA SER A 23 -4.317 -0.045 3.303 1.00 0.20 C ATOM 363 C SER A 23 -2.837 0.236 3.041 1.00 0.19 C ATOM 364 O SER A 23 -1.968 -0.303 3.698 1.00 0.21 O ATOM 365 CB SER A 23 -4.857 0.876 4.392 1.00 0.23 C ATOM 366 OG SER A 23 -4.602 2.229 4.037 1.00 0.26 O ATOM 0 H SER A 23 -3.618 -1.924 4.031 1.00 0.20 H new ATOM 0 HA SER A 23 -4.836 0.093 2.354 1.00 0.20 H new ATOM 0 HB2 SER A 23 -5.928 0.718 4.519 1.00 0.23 H new ATOM 0 HB3 SER A 23 -4.385 0.644 5.347 1.00 0.23 H new ATOM 0 HG SER A 23 -4.950 2.822 4.735 1.00 0.26 H new ATOM 372 N TYR A 24 -2.538 1.063 2.078 1.00 0.21 N ATOM 373 CA TYR A 24 -1.116 1.357 1.771 1.00 0.23 C ATOM 374 C TYR A 24 -0.702 2.730 2.307 1.00 0.29 C ATOM 375 O TYR A 24 -1.473 3.433 2.929 1.00 0.44 O ATOM 376 CB TYR A 24 -1.045 1.337 0.247 1.00 0.24 C ATOM 377 CG TYR A 24 -1.743 2.556 -0.312 1.00 0.28 C ATOM 378 CD1 TYR A 24 -1.037 3.754 -0.476 1.00 0.72 C ATOM 379 CD2 TYR A 24 -3.096 2.488 -0.664 1.00 0.71 C ATOM 380 CE1 TYR A 24 -1.684 4.884 -0.991 1.00 0.73 C ATOM 381 CE2 TYR A 24 -3.744 3.618 -1.179 1.00 0.77 C ATOM 382 CZ TYR A 24 -3.038 4.816 -1.343 1.00 0.42 C ATOM 383 OH TYR A 24 -3.676 5.930 -1.851 1.00 0.52 O ATOM 0 H TYR A 24 -3.219 1.546 1.492 1.00 0.21 H new ATOM 0 HA TYR A 24 -0.442 0.637 2.235 1.00 0.23 H new ATOM 0 HB2 TYR A 24 -0.005 1.321 -0.078 1.00 0.24 H new ATOM 0 HB3 TYR A 24 -1.513 0.430 -0.137 1.00 0.24 H new ATOM 0 HD1 TYR A 24 0.007 3.807 -0.205 1.00 0.72 H new ATOM 0 HD2 TYR A 24 -3.641 1.564 -0.538 1.00 0.71 H new ATOM 0 HE1 TYR A 24 -1.139 5.808 -1.117 1.00 0.73 H new ATOM 0 HE2 TYR A 24 -4.788 3.565 -1.450 1.00 0.77 H new ATOM 0 HH TYR A 24 -4.612 5.711 -2.044 1.00 0.52 H new ATOM 393 N GLN A 25 0.518 3.109 2.050 1.00 0.34 N ATOM 394 CA GLN A 25 1.021 4.431 2.514 1.00 0.41 C ATOM 395 C GLN A 25 2.060 4.943 1.516 1.00 0.39 C ATOM 396 O GLN A 25 3.229 4.628 1.608 1.00 0.44 O ATOM 397 CB GLN A 25 1.665 4.159 3.873 1.00 0.48 C ATOM 398 CG GLN A 25 0.582 4.101 4.951 1.00 0.91 C ATOM 399 CD GLN A 25 1.215 3.715 6.289 1.00 1.83 C ATOM 400 OE1 GLN A 25 2.363 3.321 6.340 1.00 2.51 O ATOM 401 NE2 GLN A 25 0.509 3.810 7.383 1.00 2.50 N ATOM 0 H GLN A 25 1.197 2.551 1.531 1.00 0.34 H new ATOM 0 HA GLN A 25 0.236 5.183 2.591 1.00 0.41 H new ATOM 0 HB2 GLN A 25 2.215 3.218 3.845 1.00 0.48 H new ATOM 0 HB3 GLN A 25 2.385 4.942 4.109 1.00 0.48 H new ATOM 0 HG2 GLN A 25 0.087 5.068 5.036 1.00 0.91 H new ATOM 0 HG3 GLN A 25 -0.182 3.375 4.675 1.00 0.91 H new ATOM 0 HE21 GLN A 25 -0.455 4.141 7.341 1.00 2.50 H new ATOM 0 HE22 GLN A 25 0.921 3.553 8.280 1.00 2.50 H new ATOM 410 N LEU A 26 1.640 5.711 0.551 1.00 0.39 N ATOM 411 CA LEU A 26 2.603 6.221 -0.465 1.00 0.39 C ATOM 412 C LEU A 26 3.748 6.983 0.203 1.00 0.43 C ATOM 413 O LEU A 26 3.547 7.762 1.113 1.00 0.62 O ATOM 414 CB LEU A 26 1.784 7.150 -1.361 1.00 0.44 C ATOM 415 CG LEU A 26 1.186 6.346 -2.518 1.00 0.40 C ATOM 416 CD1 LEU A 26 0.428 7.287 -3.456 1.00 0.47 C ATOM 417 CD2 LEU A 26 2.309 5.651 -3.293 1.00 0.41 C ATOM 0 H LEU A 26 0.673 6.008 0.421 1.00 0.39 H new ATOM 0 HA LEU A 26 3.063 5.410 -1.030 1.00 0.39 H new ATOM 0 HB2 LEU A 26 0.989 7.623 -0.783 1.00 0.44 H new ATOM 0 HB3 LEU A 26 2.416 7.950 -1.748 1.00 0.44 H new ATOM 0 HG LEU A 26 0.500 5.597 -2.122 1.00 0.40 H new ATOM 0 HD11 LEU A 26 0.002 6.714 -4.280 1.00 0.47 H new ATOM 0 HD12 LEU A 26 -0.373 7.782 -2.906 1.00 0.47 H new ATOM 0 HD13 LEU A 26 1.114 8.037 -3.851 1.00 0.47 H new ATOM 0 HD21 LEU A 26 1.882 5.079 -4.117 1.00 0.41 H new ATOM 0 HD22 LEU A 26 2.995 6.400 -3.688 1.00 0.41 H new ATOM 0 HD23 LEU A 26 2.850 4.979 -2.626 1.00 0.41 H new ATOM 429 N SER A 27 4.950 6.760 -0.252 1.00 0.41 N ATOM 430 CA SER A 27 6.121 7.463 0.339 1.00 0.46 C ATOM 431 C SER A 27 7.034 7.991 -0.771 1.00 0.59 C ATOM 432 O SER A 27 8.110 7.476 -1.000 1.00 1.36 O ATOM 433 CB SER A 27 6.842 6.400 1.167 1.00 0.48 C ATOM 434 OG SER A 27 7.159 6.936 2.445 1.00 1.32 O ATOM 0 H SER A 27 5.172 6.117 -1.012 1.00 0.41 H new ATOM 0 HA SER A 27 5.828 8.321 0.944 1.00 0.46 H new ATOM 0 HB2 SER A 27 6.211 5.518 1.276 1.00 0.48 H new ATOM 0 HB3 SER A 27 7.751 6.081 0.658 1.00 0.48 H new ATOM 0 HG SER A 27 7.920 7.548 2.364 1.00 1.32 H new ATOM 440 N SER A 28 6.612 9.012 -1.464 1.00 0.79 N ATOM 441 CA SER A 28 7.455 9.569 -2.561 1.00 0.87 C ATOM 442 C SER A 28 8.458 10.581 -2.001 1.00 1.24 C ATOM 443 O SER A 28 8.121 11.714 -1.721 1.00 2.14 O ATOM 444 CB SER A 28 6.472 10.257 -3.506 1.00 1.41 C ATOM 445 OG SER A 28 5.593 9.285 -4.058 1.00 2.28 O ATOM 0 H SER A 28 5.720 9.485 -1.319 1.00 0.79 H new ATOM 0 HA SER A 28 8.035 8.796 -3.066 1.00 0.87 H new ATOM 0 HB2 SER A 28 5.903 11.015 -2.968 1.00 1.41 H new ATOM 0 HB3 SER A 28 7.013 10.769 -4.302 1.00 1.41 H new ATOM 0 HG SER A 28 4.960 9.723 -4.664 1.00 2.28 H new ATOM 451 N ARG A 29 9.690 10.181 -1.837 1.00 1.24 N ATOM 452 CA ARG A 29 10.714 11.120 -1.298 1.00 1.79 C ATOM 453 C ARG A 29 11.946 11.134 -2.207 1.00 1.28 C ATOM 454 O ARG A 29 12.252 10.162 -2.868 1.00 1.52 O ATOM 455 CB ARG A 29 11.069 10.567 0.082 1.00 2.82 C ATOM 456 CG ARG A 29 11.962 11.567 0.817 1.00 3.78 C ATOM 457 CD ARG A 29 11.109 12.417 1.762 1.00 4.78 C ATOM 458 NE ARG A 29 10.064 13.026 0.893 1.00 5.70 N ATOM 459 CZ ARG A 29 10.108 14.300 0.614 1.00 6.59 C ATOM 460 NH1 ARG A 29 9.739 15.176 1.508 1.00 7.15 N ATOM 461 NH2 ARG A 29 10.521 14.698 -0.558 1.00 7.14 N ATOM 0 H ARG A 29 10.031 9.244 -2.053 1.00 1.24 H new ATOM 0 HA ARG A 29 10.349 12.146 -1.243 1.00 1.79 H new ATOM 0 HB2 ARG A 29 10.161 10.383 0.656 1.00 2.82 H new ATOM 0 HB3 ARG A 29 11.582 9.610 -0.019 1.00 2.82 H new ATOM 0 HG2 ARG A 29 12.731 11.038 1.381 1.00 3.78 H new ATOM 0 HG3 ARG A 29 12.476 12.207 0.100 1.00 3.78 H new ATOM 0 HD2 ARG A 29 10.663 11.807 2.548 1.00 4.78 H new ATOM 0 HD3 ARG A 29 11.709 13.183 2.254 1.00 4.78 H new ATOM 0 HE ARG A 29 9.314 12.447 0.516 1.00 5.70 H new ATOM 0 HH11 ARG A 29 9.416 14.865 2.424 1.00 7.15 H new ATOM 0 HH12 ARG A 29 9.773 16.172 1.291 1.00 7.15 H new ATOM 0 HH21 ARG A 29 10.810 14.013 -1.257 1.00 7.14 H new ATOM 0 HH22 ARG A 29 10.555 15.694 -0.776 1.00 7.14 H new ATOM 475 N SER A 30 12.655 12.229 -2.246 1.00 1.67 N ATOM 476 CA SER A 30 13.866 12.302 -3.114 1.00 2.08 C ATOM 477 C SER A 30 15.098 11.810 -2.350 1.00 1.93 C ATOM 478 O SER A 30 15.974 11.179 -2.907 1.00 2.53 O ATOM 479 CB SER A 30 14.010 13.781 -3.467 1.00 3.00 C ATOM 480 OG SER A 30 13.124 14.098 -4.533 1.00 3.68 O ATOM 0 H SER A 30 12.449 13.075 -1.715 1.00 1.67 H new ATOM 0 HA SER A 30 13.775 11.677 -4.002 1.00 2.08 H new ATOM 0 HB2 SER A 30 13.786 14.398 -2.597 1.00 3.00 H new ATOM 0 HB3 SER A 30 15.038 13.999 -3.756 1.00 3.00 H new ATOM 0 HG SER A 30 13.213 15.047 -4.761 1.00 3.68 H new ATOM 486 N THR A 31 15.172 12.093 -1.079 1.00 1.52 N ATOM 487 CA THR A 31 16.349 11.640 -0.282 1.00 1.52 C ATOM 488 C THR A 31 16.544 10.130 -0.438 1.00 1.34 C ATOM 489 O THR A 31 17.620 9.608 -0.225 1.00 1.57 O ATOM 490 CB THR A 31 16.004 11.989 1.167 1.00 1.80 C ATOM 491 OG1 THR A 31 14.883 11.221 1.583 1.00 2.20 O ATOM 492 CG2 THR A 31 15.672 13.478 1.272 1.00 2.15 C ATOM 0 H THR A 31 14.470 12.618 -0.557 1.00 1.52 H new ATOM 0 HA THR A 31 17.275 12.115 -0.607 1.00 1.52 H new ATOM 0 HB THR A 31 16.857 11.765 1.807 1.00 1.80 H new ATOM 0 HG1 THR A 31 14.662 11.442 2.512 1.00 2.20 H new ATOM 0 HG21 THR A 31 15.427 13.724 2.305 1.00 2.15 H new ATOM 0 HG22 THR A 31 16.533 14.066 0.954 1.00 2.15 H new ATOM 0 HG23 THR A 31 14.820 13.707 0.632 1.00 2.15 H new ATOM 500 N CYS A 32 15.510 9.424 -0.806 1.00 1.19 N ATOM 501 CA CYS A 32 15.636 7.948 -0.974 1.00 1.25 C ATOM 502 C CYS A 32 16.195 7.616 -2.360 1.00 1.33 C ATOM 503 O CYS A 32 16.302 8.470 -3.218 1.00 1.62 O ATOM 504 CB CYS A 32 14.212 7.412 -0.829 1.00 1.30 C ATOM 505 SG CYS A 32 13.790 7.290 0.926 1.00 1.38 S ATOM 0 H CYS A 32 14.583 9.805 -0.998 1.00 1.19 H new ATOM 0 HA CYS A 32 16.316 7.507 -0.245 1.00 1.25 H new ATOM 0 HB2 CYS A 32 13.510 8.072 -1.338 1.00 1.30 H new ATOM 0 HB3 CYS A 32 14.130 6.434 -1.303 1.00 1.30 H new ATOM 510 N LEU A 33 16.553 6.381 -2.585 1.00 1.43 N ATOM 511 CA LEU A 33 17.105 5.994 -3.912 1.00 1.64 C ATOM 512 C LEU A 33 15.978 5.545 -4.846 1.00 1.32 C ATOM 513 O LEU A 33 16.069 5.671 -6.051 1.00 1.83 O ATOM 514 CB LEU A 33 18.056 4.831 -3.622 1.00 2.14 C ATOM 515 CG LEU A 33 19.487 5.243 -3.968 1.00 2.70 C ATOM 516 CD1 LEU A 33 20.256 5.549 -2.682 1.00 3.40 C ATOM 517 CD2 LEU A 33 20.178 4.100 -4.715 1.00 3.25 C ATOM 0 H LEU A 33 16.486 5.623 -1.905 1.00 1.43 H new ATOM 0 HA LEU A 33 17.613 6.823 -4.404 1.00 1.64 H new ATOM 0 HB2 LEU A 33 17.992 4.548 -2.571 1.00 2.14 H new ATOM 0 HB3 LEU A 33 17.767 3.957 -4.205 1.00 2.14 H new ATOM 0 HG LEU A 33 19.467 6.132 -4.599 1.00 2.70 H new ATOM 0 HD11 LEU A 33 21.276 5.843 -2.929 1.00 3.40 H new ATOM 0 HD12 LEU A 33 19.764 6.362 -2.148 1.00 3.40 H new ATOM 0 HD13 LEU A 33 20.277 4.661 -2.051 1.00 3.40 H new ATOM 0 HD21 LEU A 33 21.199 4.392 -4.963 1.00 3.25 H new ATOM 0 HD22 LEU A 33 20.198 3.212 -4.083 1.00 3.25 H new ATOM 0 HD23 LEU A 33 19.631 3.881 -5.632 1.00 3.25 H new ATOM 529 N LYS A 34 14.916 5.022 -4.298 1.00 0.94 N ATOM 530 CA LYS A 34 13.784 4.565 -5.154 1.00 0.96 C ATOM 531 C LYS A 34 12.452 5.050 -4.576 1.00 0.79 C ATOM 532 O LYS A 34 12.396 5.601 -3.494 1.00 1.07 O ATOM 533 CB LYS A 34 13.856 3.038 -5.123 1.00 1.36 C ATOM 534 CG LYS A 34 14.312 2.520 -6.488 1.00 2.12 C ATOM 535 CD LYS A 34 14.238 0.992 -6.506 1.00 2.68 C ATOM 536 CE LYS A 34 15.258 0.442 -7.506 1.00 3.24 C ATOM 537 NZ LYS A 34 16.466 0.133 -6.691 1.00 3.67 N ATOM 0 H LYS A 34 14.783 4.891 -3.295 1.00 0.94 H new ATOM 0 HA LYS A 34 13.851 4.957 -6.169 1.00 0.96 H new ATOM 0 HB2 LYS A 34 14.550 2.712 -4.348 1.00 1.36 H new ATOM 0 HB3 LYS A 34 12.880 2.622 -4.872 1.00 1.36 H new ATOM 0 HG2 LYS A 34 13.682 2.934 -7.275 1.00 2.12 H new ATOM 0 HG3 LYS A 34 15.332 2.848 -6.691 1.00 2.12 H new ATOM 0 HD2 LYS A 34 14.439 0.596 -5.511 1.00 2.68 H new ATOM 0 HD3 LYS A 34 13.234 0.669 -6.780 1.00 2.68 H new ATOM 0 HE2 LYS A 34 14.880 -0.450 -8.006 1.00 3.24 H new ATOM 0 HE3 LYS A 34 15.482 1.172 -8.284 1.00 3.24 H new ATOM 0 HZ1 LYS A 34 17.212 -0.249 -7.307 1.00 3.67 H new ATOM 0 HZ2 LYS A 34 16.807 1.002 -6.233 1.00 3.67 H new ATOM 0 HZ3 LYS A 34 16.224 -0.570 -5.964 1.00 3.67 H new ATOM 551 N ALA A 35 11.378 4.851 -5.290 1.00 0.65 N ATOM 552 CA ALA A 35 10.050 5.301 -4.782 1.00 0.56 C ATOM 553 C ALA A 35 9.020 4.178 -4.928 1.00 0.55 C ATOM 554 O ALA A 35 8.867 3.596 -5.984 1.00 0.92 O ATOM 555 CB ALA A 35 9.671 6.491 -5.663 1.00 0.68 C ATOM 0 H ALA A 35 11.362 4.396 -6.203 1.00 0.65 H new ATOM 0 HA ALA A 35 10.082 5.569 -3.726 1.00 0.56 H new ATOM 0 HB1 ALA A 35 8.702 6.880 -5.351 1.00 0.68 H new ATOM 0 HB2 ALA A 35 10.425 7.272 -5.564 1.00 0.68 H new ATOM 0 HB3 ALA A 35 9.616 6.170 -6.703 1.00 0.68 H new ATOM 561 N GLY A 36 8.310 3.870 -3.877 1.00 0.41 N ATOM 562 CA GLY A 36 7.289 2.787 -3.959 1.00 0.45 C ATOM 563 C GLY A 36 6.197 3.039 -2.920 1.00 0.40 C ATOM 564 O GLY A 36 6.260 3.986 -2.162 1.00 0.44 O ATOM 0 H GLY A 36 8.393 4.321 -2.966 1.00 0.41 H new ATOM 0 HA2 GLY A 36 6.855 2.756 -4.958 1.00 0.45 H new ATOM 0 HA3 GLY A 36 7.756 1.818 -3.784 1.00 0.45 H new ATOM 568 N VAL A 37 5.197 2.201 -2.871 1.00 0.33 N ATOM 569 CA VAL A 37 4.112 2.407 -1.872 1.00 0.30 C ATOM 570 C VAL A 37 4.294 1.428 -0.711 1.00 0.28 C ATOM 571 O VAL A 37 4.928 0.404 -0.852 1.00 0.31 O ATOM 572 CB VAL A 37 2.812 2.111 -2.623 1.00 0.29 C ATOM 573 CG1 VAL A 37 1.630 2.673 -1.833 1.00 0.29 C ATOM 574 CG2 VAL A 37 2.852 2.765 -4.007 1.00 0.34 C ATOM 0 H VAL A 37 5.085 1.388 -3.476 1.00 0.33 H new ATOM 0 HA VAL A 37 4.114 3.414 -1.455 1.00 0.30 H new ATOM 0 HB VAL A 37 2.700 1.033 -2.736 1.00 0.29 H new ATOM 0 HG11 VAL A 37 0.703 2.463 -2.367 1.00 0.29 H new ATOM 0 HG12 VAL A 37 1.596 2.207 -0.848 1.00 0.29 H new ATOM 0 HG13 VAL A 37 1.747 3.751 -1.720 1.00 0.29 H new ATOM 0 HG21 VAL A 37 1.924 2.551 -4.537 1.00 0.34 H new ATOM 0 HG22 VAL A 37 2.967 3.843 -3.897 1.00 0.34 H new ATOM 0 HG23 VAL A 37 3.694 2.367 -4.573 1.00 0.34 H new ATOM 584 N ILE A 38 3.747 1.726 0.435 1.00 0.27 N ATOM 585 CA ILE A 38 3.901 0.793 1.588 1.00 0.27 C ATOM 586 C ILE A 38 2.545 0.190 1.963 1.00 0.23 C ATOM 587 O ILE A 38 1.626 0.892 2.331 1.00 0.25 O ATOM 588 CB ILE A 38 4.449 1.650 2.731 1.00 0.32 C ATOM 589 CG1 ILE A 38 5.919 1.980 2.460 1.00 0.39 C ATOM 590 CG2 ILE A 38 4.340 0.876 4.047 1.00 0.32 C ATOM 591 CD1 ILE A 38 6.013 3.049 1.370 1.00 0.49 C ATOM 0 H ILE A 38 3.204 2.569 0.623 1.00 0.27 H new ATOM 0 HA ILE A 38 4.565 -0.040 1.358 1.00 0.27 H new ATOM 0 HB ILE A 38 3.873 2.573 2.801 1.00 0.32 H new ATOM 0 HG12 ILE A 38 6.397 2.335 3.373 1.00 0.39 H new ATOM 0 HG13 ILE A 38 6.452 1.082 2.149 1.00 0.39 H new ATOM 0 HG21 ILE A 38 4.730 1.486 4.861 1.00 0.32 H new ATOM 0 HG22 ILE A 38 3.295 0.636 4.242 1.00 0.32 H new ATOM 0 HG23 ILE A 38 4.917 -0.046 3.976 1.00 0.32 H new ATOM 0 HD11 ILE A 38 7.060 3.282 1.179 1.00 0.49 H new ATOM 0 HD12 ILE A 38 5.551 2.678 0.455 1.00 0.49 H new ATOM 0 HD13 ILE A 38 5.495 3.950 1.698 1.00 0.49 H new ATOM 603 N PHE A 39 2.412 -1.107 1.876 1.00 0.22 N ATOM 604 CA PHE A 39 1.111 -1.742 2.230 1.00 0.19 C ATOM 605 C PHE A 39 1.206 -2.428 3.592 1.00 0.21 C ATOM 606 O PHE A 39 2.280 -2.666 4.108 1.00 0.33 O ATOM 607 CB PHE A 39 0.849 -2.772 1.132 1.00 0.18 C ATOM 608 CG PHE A 39 0.304 -2.072 -0.086 1.00 0.18 C ATOM 609 CD1 PHE A 39 1.167 -1.365 -0.931 1.00 0.30 C ATOM 610 CD2 PHE A 39 -1.065 -2.126 -0.369 1.00 0.16 C ATOM 611 CE1 PHE A 39 0.660 -0.713 -2.059 1.00 0.35 C ATOM 612 CE2 PHE A 39 -1.571 -1.472 -1.497 1.00 0.19 C ATOM 613 CZ PHE A 39 -0.709 -0.766 -2.342 1.00 0.29 C ATOM 0 H PHE A 39 3.144 -1.751 1.577 1.00 0.22 H new ATOM 0 HA PHE A 39 0.307 -1.009 2.298 1.00 0.19 H new ATOM 0 HB2 PHE A 39 1.771 -3.297 0.882 1.00 0.18 H new ATOM 0 HB3 PHE A 39 0.140 -3.522 1.482 1.00 0.18 H new ATOM 0 HD1 PHE A 39 2.224 -1.323 -0.712 1.00 0.30 H new ATOM 0 HD2 PHE A 39 -1.731 -2.672 0.283 1.00 0.16 H new ATOM 0 HE1 PHE A 39 1.326 -0.168 -2.712 1.00 0.35 H new ATOM 0 HE2 PHE A 39 -2.628 -1.512 -1.716 1.00 0.19 H new ATOM 0 HZ PHE A 39 -1.100 -0.262 -3.213 1.00 0.29 H new ATOM 623 N THR A 40 0.087 -2.750 4.175 1.00 0.20 N ATOM 624 CA THR A 40 0.102 -3.423 5.499 1.00 0.24 C ATOM 625 C THR A 40 -0.988 -4.495 5.551 1.00 0.22 C ATOM 626 O THR A 40 -2.048 -4.346 4.978 1.00 0.21 O ATOM 627 CB THR A 40 -0.183 -2.312 6.513 1.00 0.28 C ATOM 628 OG1 THR A 40 0.985 -1.521 6.685 1.00 0.32 O ATOM 629 CG2 THR A 40 -0.588 -2.926 7.857 1.00 0.33 C ATOM 0 H THR A 40 -0.841 -2.575 3.789 1.00 0.20 H new ATOM 0 HA THR A 40 1.050 -3.921 5.702 1.00 0.24 H new ATOM 0 HB THR A 40 -0.997 -1.688 6.145 1.00 0.28 H new ATOM 0 HG1 THR A 40 0.805 -0.808 7.333 1.00 0.32 H new ATOM 0 HG21 THR A 40 -0.789 -2.131 8.574 1.00 0.33 H new ATOM 0 HG22 THR A 40 -1.485 -3.531 7.725 1.00 0.33 H new ATOM 0 HG23 THR A 40 0.222 -3.554 8.229 1.00 0.33 H new ATOM 637 N THR A 41 -0.733 -5.572 6.236 1.00 0.24 N ATOM 638 CA THR A 41 -1.754 -6.651 6.330 1.00 0.24 C ATOM 639 C THR A 41 -2.681 -6.397 7.522 1.00 0.27 C ATOM 640 O THR A 41 -2.386 -5.601 8.391 1.00 0.39 O ATOM 641 CB THR A 41 -0.959 -7.940 6.538 1.00 0.28 C ATOM 642 OG1 THR A 41 0.346 -7.787 5.997 1.00 0.35 O ATOM 643 CG2 THR A 41 -1.670 -9.099 5.839 1.00 0.31 C ATOM 0 H THR A 41 0.138 -5.753 6.735 1.00 0.24 H new ATOM 0 HA THR A 41 -2.382 -6.701 5.440 1.00 0.24 H new ATOM 0 HB THR A 41 -0.886 -8.151 7.605 1.00 0.28 H new ATOM 0 HG1 THR A 41 0.852 -8.617 6.124 1.00 0.35 H new ATOM 0 HG21 THR A 41 -1.102 -10.017 5.988 1.00 0.31 H new ATOM 0 HG22 THR A 41 -2.669 -9.218 6.258 1.00 0.31 H new ATOM 0 HG23 THR A 41 -1.746 -8.889 4.772 1.00 0.31 H new ATOM 651 N LYS A 42 -3.799 -7.068 7.569 1.00 0.30 N ATOM 652 CA LYS A 42 -4.742 -6.865 8.707 1.00 0.34 C ATOM 653 C LYS A 42 -4.171 -7.489 9.983 1.00 0.39 C ATOM 654 O LYS A 42 -4.541 -7.128 11.082 1.00 0.46 O ATOM 655 CB LYS A 42 -6.027 -7.580 8.288 1.00 0.39 C ATOM 656 CG LYS A 42 -5.723 -9.052 8.003 1.00 1.28 C ATOM 657 CD LYS A 42 -6.483 -9.932 8.997 1.00 1.45 C ATOM 658 CE LYS A 42 -7.034 -11.162 8.273 1.00 2.42 C ATOM 659 NZ LYS A 42 -8.182 -11.616 9.106 1.00 2.66 N ATOM 0 H LYS A 42 -4.101 -7.747 6.870 1.00 0.30 H new ATOM 0 HA LYS A 42 -4.914 -5.810 8.919 1.00 0.34 H new ATOM 0 HB2 LYS A 42 -6.775 -7.498 9.077 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -6.447 -7.106 7.401 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.013 -9.303 6.983 1.00 1.28 H new ATOM 0 HG3 LYS A 42 -4.652 -9.235 8.084 1.00 1.28 H new ATOM 0 HD2 LYS A 42 -5.821 -10.240 9.807 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -7.298 -9.367 9.449 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -7.354 -10.914 7.261 1.00 2.42 H new ATOM 0 HE3 LYS A 42 -6.277 -11.941 8.186 1.00 2.42 H new ATOM 0 HZ1 LYS A 42 -8.613 -12.458 8.674 1.00 2.66 H new ATOM 0 HZ2 LYS A 42 -7.846 -11.851 10.062 1.00 2.66 H new ATOM 0 HZ3 LYS A 42 -8.890 -10.856 9.165 1.00 2.66 H new ATOM 673 N LYS A 43 -3.271 -8.425 9.844 1.00 0.42 N ATOM 674 CA LYS A 43 -2.675 -9.071 11.049 1.00 0.50 C ATOM 675 C LYS A 43 -1.742 -8.093 11.768 1.00 0.51 C ATOM 676 O LYS A 43 -1.431 -8.258 12.931 1.00 0.75 O ATOM 677 CB LYS A 43 -1.887 -10.265 10.509 1.00 0.55 C ATOM 678 CG LYS A 43 -2.172 -11.497 11.369 1.00 0.89 C ATOM 679 CD LYS A 43 -1.025 -12.499 11.222 1.00 1.25 C ATOM 680 CE LYS A 43 -1.534 -13.908 11.533 1.00 1.72 C ATOM 681 NZ LYS A 43 -0.305 -14.723 11.743 1.00 2.35 N ATOM 0 H LYS A 43 -2.923 -8.770 8.949 1.00 0.42 H new ATOM 0 HA LYS A 43 -3.433 -9.375 11.771 1.00 0.50 H new ATOM 0 HB2 LYS A 43 -2.166 -10.459 9.473 1.00 0.55 H new ATOM 0 HB3 LYS A 43 -0.820 -10.043 10.516 1.00 0.55 H new ATOM 0 HG2 LYS A 43 -2.283 -11.206 12.414 1.00 0.89 H new ATOM 0 HG3 LYS A 43 -3.112 -11.957 11.064 1.00 0.89 H new ATOM 0 HD2 LYS A 43 -0.623 -12.461 10.210 1.00 1.25 H new ATOM 0 HD3 LYS A 43 -0.211 -12.238 11.898 1.00 1.25 H new ATOM 0 HE2 LYS A 43 -2.167 -13.912 12.420 1.00 1.72 H new ATOM 0 HE3 LYS A 43 -2.133 -14.302 10.712 1.00 1.72 H new ATOM 0 HZ1 LYS A 43 -0.572 -15.704 11.961 1.00 2.35 H new ATOM 0 HZ2 LYS A 43 0.275 -14.706 10.880 1.00 2.35 H new ATOM 0 HZ3 LYS A 43 0.242 -14.329 12.535 1.00 2.35 H new ATOM 695 N GLY A 44 -1.295 -7.074 11.086 1.00 0.46 N ATOM 696 CA GLY A 44 -0.385 -6.089 11.729 1.00 0.50 C ATOM 697 C GLY A 44 0.977 -6.116 11.033 1.00 0.50 C ATOM 698 O GLY A 44 1.997 -5.839 11.633 1.00 0.69 O ATOM 0 H GLY A 44 -1.522 -6.882 10.110 1.00 0.46 H new ATOM 0 HA2 GLY A 44 -0.815 -5.089 11.670 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -0.268 -6.324 12.787 1.00 0.50 H new ATOM 702 N GLN A 45 1.003 -6.449 9.771 1.00 0.38 N ATOM 703 CA GLN A 45 2.301 -6.493 9.038 1.00 0.39 C ATOM 704 C GLN A 45 2.495 -5.209 8.228 1.00 0.35 C ATOM 705 O GLN A 45 1.674 -4.314 8.261 1.00 0.40 O ATOM 706 CB GLN A 45 2.190 -7.702 8.109 1.00 0.41 C ATOM 707 CG GLN A 45 3.352 -8.661 8.378 1.00 0.71 C ATOM 708 CD GLN A 45 3.504 -9.623 7.198 1.00 1.21 C ATOM 709 OE1 GLN A 45 2.575 -9.828 6.443 1.00 1.87 O ATOM 710 NE2 GLN A 45 4.646 -10.225 7.007 1.00 1.70 N ATOM 0 H GLN A 45 0.182 -6.692 9.216 1.00 0.38 H new ATOM 0 HA GLN A 45 3.154 -6.574 9.712 1.00 0.39 H new ATOM 0 HB2 GLN A 45 1.240 -8.211 8.269 1.00 0.41 H new ATOM 0 HB3 GLN A 45 2.206 -7.377 7.069 1.00 0.41 H new ATOM 0 HG2 GLN A 45 4.275 -8.099 8.524 1.00 0.71 H new ATOM 0 HG3 GLN A 45 3.171 -9.220 9.296 1.00 0.71 H new ATOM 0 HE21 GLN A 45 5.426 -10.052 7.641 1.00 1.70 H new ATOM 0 HE22 GLN A 45 4.759 -10.868 6.223 1.00 1.70 H new ATOM 719 N GLN A 46 3.574 -5.110 7.502 1.00 0.33 N ATOM 720 CA GLN A 46 3.817 -3.883 6.692 1.00 0.32 C ATOM 721 C GLN A 46 4.838 -4.175 5.589 1.00 0.36 C ATOM 722 O GLN A 46 6.025 -4.249 5.834 1.00 0.48 O ATOM 723 CB GLN A 46 4.373 -2.858 7.681 1.00 0.45 C ATOM 724 CG GLN A 46 3.438 -1.649 7.744 1.00 0.97 C ATOM 725 CD GLN A 46 4.087 -0.544 8.580 1.00 1.41 C ATOM 726 OE1 GLN A 46 4.581 -0.796 9.661 1.00 2.03 O ATOM 727 NE2 GLN A 46 4.107 0.677 8.121 1.00 1.93 N ATOM 0 H GLN A 46 4.298 -5.825 7.434 1.00 0.33 H new ATOM 0 HA GLN A 46 2.912 -3.524 6.202 1.00 0.32 H new ATOM 0 HB2 GLN A 46 4.471 -3.307 8.669 1.00 0.45 H new ATOM 0 HB3 GLN A 46 5.370 -2.544 7.373 1.00 0.45 H new ATOM 0 HG2 GLN A 46 3.230 -1.284 6.738 1.00 0.97 H new ATOM 0 HG3 GLN A 46 2.483 -1.937 8.182 1.00 0.97 H new ATOM 0 HE21 GLN A 46 3.692 0.887 7.213 1.00 1.93 H new ATOM 0 HE22 GLN A 46 4.538 1.421 8.670 1.00 1.93 H new ATOM 736 N SER A 47 4.386 -4.343 4.377 1.00 0.34 N ATOM 737 CA SER A 47 5.334 -4.632 3.262 1.00 0.47 C ATOM 738 C SER A 47 5.318 -3.491 2.240 1.00 0.43 C ATOM 739 O SER A 47 4.296 -2.885 1.988 1.00 0.56 O ATOM 740 CB SER A 47 4.819 -5.924 2.630 1.00 0.58 C ATOM 741 OG SER A 47 4.625 -6.898 3.647 1.00 1.56 O ATOM 0 H SER A 47 3.403 -4.293 4.110 1.00 0.34 H new ATOM 0 HA SER A 47 6.362 -4.729 3.611 1.00 0.47 H new ATOM 0 HB2 SER A 47 3.882 -5.738 2.105 1.00 0.58 H new ATOM 0 HB3 SER A 47 5.531 -6.290 1.891 1.00 0.58 H new ATOM 0 HG SER A 47 4.293 -7.728 3.246 1.00 1.56 H new ATOM 747 N CYS A 48 6.444 -3.197 1.649 1.00 0.37 N ATOM 748 CA CYS A 48 6.495 -2.098 0.642 1.00 0.33 C ATOM 749 C CYS A 48 6.031 -2.619 -0.721 1.00 0.30 C ATOM 750 O CYS A 48 6.545 -3.595 -1.229 1.00 0.34 O ATOM 751 CB CYS A 48 7.964 -1.677 0.588 1.00 0.41 C ATOM 752 SG CYS A 48 8.535 -1.264 2.256 1.00 1.43 S ATOM 0 H CYS A 48 7.331 -3.670 1.820 1.00 0.37 H new ATOM 0 HA CYS A 48 5.845 -1.263 0.903 1.00 0.33 H new ATOM 0 HB2 CYS A 48 8.569 -2.483 0.174 1.00 0.41 H new ATOM 0 HB3 CYS A 48 8.083 -0.818 -0.072 1.00 0.41 H new ATOM 757 N GLY A 49 5.059 -1.982 -1.316 1.00 0.27 N ATOM 758 CA GLY A 49 4.562 -2.453 -2.638 1.00 0.27 C ATOM 759 C GLY A 49 5.064 -1.535 -3.748 1.00 0.27 C ATOM 760 O GLY A 49 5.215 -0.343 -3.568 1.00 0.30 O ATOM 0 H GLY A 49 4.589 -1.157 -0.943 1.00 0.27 H new ATOM 0 HA2 GLY A 49 4.900 -3.473 -2.819 1.00 0.27 H new ATOM 0 HA3 GLY A 49 3.472 -2.474 -2.638 1.00 0.27 H new ATOM 764 N ASP A 50 5.311 -2.087 -4.900 1.00 0.27 N ATOM 765 CA ASP A 50 5.792 -1.259 -6.042 1.00 0.30 C ATOM 766 C ASP A 50 4.595 -0.754 -6.855 1.00 0.28 C ATOM 767 O ASP A 50 3.646 -1.481 -7.071 1.00 0.26 O ATOM 768 CB ASP A 50 6.653 -2.203 -6.882 1.00 0.36 C ATOM 769 CG ASP A 50 7.439 -1.394 -7.915 1.00 0.81 C ATOM 770 OD1 ASP A 50 6.808 -0.741 -8.731 1.00 1.39 O ATOM 771 OD2 ASP A 50 8.657 -1.441 -7.874 1.00 1.57 O ATOM 0 H ASP A 50 5.201 -3.081 -5.103 1.00 0.27 H new ATOM 0 HA ASP A 50 6.353 -0.383 -5.716 1.00 0.30 H new ATOM 0 HB2 ASP A 50 7.338 -2.756 -6.239 1.00 0.36 H new ATOM 0 HB3 ASP A 50 6.023 -2.938 -7.383 1.00 0.36 H new ATOM 776 N PRO A 51 4.678 0.477 -7.284 1.00 0.32 N ATOM 777 CA PRO A 51 3.581 1.074 -8.083 1.00 0.34 C ATOM 778 C PRO A 51 3.541 0.440 -9.474 1.00 0.35 C ATOM 779 O PRO A 51 2.516 0.411 -10.125 1.00 0.38 O ATOM 780 CB PRO A 51 3.954 2.552 -8.159 1.00 0.41 C ATOM 781 CG PRO A 51 5.436 2.585 -7.963 1.00 0.43 C ATOM 782 CD PRO A 51 5.784 1.418 -7.076 1.00 0.39 C ATOM 0 HA PRO A 51 2.593 0.918 -7.649 1.00 0.34 H new ATOM 0 HB2 PRO A 51 3.673 2.982 -9.121 1.00 0.41 H new ATOM 0 HB3 PRO A 51 3.441 3.129 -7.390 1.00 0.41 H new ATOM 0 HG2 PRO A 51 5.954 2.512 -8.919 1.00 0.43 H new ATOM 0 HG3 PRO A 51 5.744 3.525 -7.504 1.00 0.43 H new ATOM 0 HD2 PRO A 51 6.742 0.977 -7.353 1.00 0.39 H new ATOM 0 HD3 PRO A 51 5.862 1.719 -6.031 1.00 0.39 H new ATOM 790 N LYS A 52 4.648 -0.079 -9.929 1.00 0.37 N ATOM 791 CA LYS A 52 4.669 -0.723 -11.272 1.00 0.40 C ATOM 792 C LYS A 52 3.733 -1.933 -11.277 1.00 0.37 C ATOM 793 O LYS A 52 3.280 -2.377 -12.314 1.00 0.41 O ATOM 794 CB LYS A 52 6.118 -1.162 -11.481 1.00 0.43 C ATOM 795 CG LYS A 52 7.012 0.073 -11.614 1.00 1.33 C ATOM 796 CD LYS A 52 8.106 -0.198 -12.649 1.00 1.84 C ATOM 797 CE LYS A 52 9.154 0.915 -12.588 1.00 2.67 C ATOM 798 NZ LYS A 52 10.288 0.422 -13.419 1.00 3.37 N ATOM 0 H LYS A 52 5.537 -0.085 -9.430 1.00 0.37 H new ATOM 0 HA LYS A 52 4.334 -0.052 -12.063 1.00 0.40 H new ATOM 0 HB2 LYS A 52 6.448 -1.774 -10.642 1.00 0.43 H new ATOM 0 HB3 LYS A 52 6.197 -1.779 -12.376 1.00 0.43 H new ATOM 0 HG2 LYS A 52 6.417 0.935 -11.915 1.00 1.33 H new ATOM 0 HG3 LYS A 52 7.460 0.316 -10.651 1.00 1.33 H new ATOM 0 HD2 LYS A 52 8.574 -1.163 -12.455 1.00 1.84 H new ATOM 0 HD3 LYS A 52 7.672 -0.249 -13.648 1.00 1.84 H new ATOM 0 HE2 LYS A 52 8.757 1.852 -12.978 1.00 2.67 H new ATOM 0 HE3 LYS A 52 9.470 1.104 -11.562 1.00 2.67 H new ATOM 0 HZ1 LYS A 52 11.048 1.132 -13.426 1.00 3.37 H new ATOM 0 HZ2 LYS A 52 10.649 -0.468 -13.020 1.00 3.37 H new ATOM 0 HZ3 LYS A 52 9.959 0.257 -14.392 1.00 3.37 H new ATOM 812 N GLN A 53 3.436 -2.467 -10.122 1.00 0.34 N ATOM 813 CA GLN A 53 2.525 -3.644 -10.057 1.00 0.34 C ATOM 814 C GLN A 53 1.068 -3.178 -10.102 1.00 0.32 C ATOM 815 O GLN A 53 0.765 -2.034 -9.826 1.00 0.32 O ATOM 816 CB GLN A 53 2.837 -4.317 -8.720 1.00 0.34 C ATOM 817 CG GLN A 53 4.326 -4.664 -8.654 1.00 0.65 C ATOM 818 CD GLN A 53 4.538 -6.097 -9.145 1.00 1.01 C ATOM 819 OE1 GLN A 53 3.597 -6.856 -9.266 1.00 1.77 O ATOM 820 NE2 GLN A 53 5.744 -6.503 -9.435 1.00 1.49 N ATOM 0 H GLN A 53 3.785 -2.138 -9.222 1.00 0.34 H new ATOM 0 HA GLN A 53 2.668 -4.327 -10.894 1.00 0.34 H new ATOM 0 HB2 GLN A 53 2.571 -3.654 -7.897 1.00 0.34 H new ATOM 0 HB3 GLN A 53 2.238 -5.220 -8.608 1.00 0.34 H new ATOM 0 HG2 GLN A 53 4.900 -3.969 -9.268 1.00 0.65 H new ATOM 0 HG3 GLN A 53 4.689 -4.561 -7.632 1.00 0.65 H new ATOM 0 HE21 GLN A 53 6.535 -5.866 -9.334 1.00 1.49 H new ATOM 0 HE22 GLN A 53 5.896 -7.457 -9.763 1.00 1.49 H new ATOM 829 N GLU A 54 0.166 -4.049 -10.458 1.00 0.36 N ATOM 830 CA GLU A 54 -1.268 -3.646 -10.532 1.00 0.38 C ATOM 831 C GLU A 54 -1.982 -3.886 -9.199 1.00 0.35 C ATOM 832 O GLU A 54 -3.085 -3.419 -8.996 1.00 0.39 O ATOM 833 CB GLU A 54 -1.869 -4.527 -11.627 1.00 0.46 C ATOM 834 CG GLU A 54 -2.046 -3.705 -12.905 1.00 1.23 C ATOM 835 CD GLU A 54 -2.464 -4.626 -14.052 1.00 1.66 C ATOM 836 OE1 GLU A 54 -3.518 -5.232 -13.945 1.00 2.21 O ATOM 837 OE2 GLU A 54 -1.724 -4.710 -15.019 1.00 2.22 O ATOM 0 H GLU A 54 0.358 -5.021 -10.701 1.00 0.36 H new ATOM 0 HA GLU A 54 -1.376 -2.583 -10.748 1.00 0.38 H new ATOM 0 HB2 GLU A 54 -1.219 -5.381 -11.819 1.00 0.46 H new ATOM 0 HB3 GLU A 54 -2.830 -4.924 -11.302 1.00 0.46 H new ATOM 0 HG2 GLU A 54 -2.800 -2.933 -12.752 1.00 1.23 H new ATOM 0 HG3 GLU A 54 -1.115 -3.196 -13.154 1.00 1.23 H new ATOM 844 N TRP A 55 -1.380 -4.596 -8.279 1.00 0.31 N ATOM 845 CA TRP A 55 -2.069 -4.822 -6.982 1.00 0.30 C ATOM 846 C TRP A 55 -1.934 -3.573 -6.120 1.00 0.26 C ATOM 847 O TRP A 55 -2.790 -3.275 -5.311 1.00 0.30 O ATOM 848 CB TRP A 55 -1.411 -6.052 -6.357 1.00 0.32 C ATOM 849 CG TRP A 55 0.005 -5.784 -5.966 1.00 0.28 C ATOM 850 CD1 TRP A 55 1.087 -6.051 -6.733 1.00 0.30 C ATOM 851 CD2 TRP A 55 0.514 -5.241 -4.716 1.00 0.24 C ATOM 852 NE1 TRP A 55 2.226 -5.710 -6.027 1.00 0.29 N ATOM 853 CE2 TRP A 55 1.923 -5.207 -4.784 1.00 0.25 C ATOM 854 CE3 TRP A 55 -0.102 -4.779 -3.542 1.00 0.23 C ATOM 855 CZ2 TRP A 55 2.695 -4.741 -3.730 1.00 0.25 C ATOM 856 CZ3 TRP A 55 0.673 -4.303 -2.474 1.00 0.22 C ATOM 857 CH2 TRP A 55 2.071 -4.288 -2.567 1.00 0.23 C ATOM 0 H TRP A 55 -0.457 -5.021 -8.370 1.00 0.31 H new ATOM 0 HA TRP A 55 -3.138 -5.004 -7.093 1.00 0.30 H new ATOM 0 HB2 TRP A 55 -1.978 -6.361 -5.479 1.00 0.32 H new ATOM 0 HB3 TRP A 55 -1.442 -6.880 -7.065 1.00 0.32 H new ATOM 0 HD1 TRP A 55 1.065 -6.462 -7.731 1.00 0.30 H new ATOM 0 HE1 TRP A 55 3.175 -5.818 -6.385 1.00 0.29 H new ATOM 0 HE3 TRP A 55 -1.179 -4.790 -3.461 1.00 0.23 H new ATOM 0 HZ2 TRP A 55 3.772 -4.729 -3.809 1.00 0.25 H new ATOM 0 HZ3 TRP A 55 0.190 -3.947 -1.576 1.00 0.22 H new ATOM 0 HH2 TRP A 55 2.664 -3.927 -1.740 1.00 0.23 H new ATOM 868 N VAL A 56 -0.904 -2.798 -6.328 1.00 0.25 N ATOM 869 CA VAL A 56 -0.791 -1.534 -5.557 1.00 0.25 C ATOM 870 C VAL A 56 -1.808 -0.568 -6.150 1.00 0.30 C ATOM 871 O VAL A 56 -2.630 -0.008 -5.461 1.00 0.39 O ATOM 872 CB VAL A 56 0.634 -1.020 -5.768 1.00 0.27 C ATOM 873 CG1 VAL A 56 0.756 0.386 -5.174 1.00 0.37 C ATOM 874 CG2 VAL A 56 1.619 -1.950 -5.064 1.00 0.29 C ATOM 0 H VAL A 56 -0.149 -2.983 -6.988 1.00 0.25 H new ATOM 0 HA VAL A 56 -0.982 -1.655 -4.491 1.00 0.25 H new ATOM 0 HB VAL A 56 0.857 -0.991 -6.834 1.00 0.27 H new ATOM 0 HG11 VAL A 56 1.770 0.757 -5.322 1.00 0.37 H new ATOM 0 HG12 VAL A 56 0.050 1.053 -5.669 1.00 0.37 H new ATOM 0 HG13 VAL A 56 0.535 0.351 -4.107 1.00 0.37 H new ATOM 0 HG21 VAL A 56 2.635 -1.585 -5.214 1.00 0.29 H new ATOM 0 HG22 VAL A 56 1.396 -1.976 -3.997 1.00 0.29 H new ATOM 0 HG23 VAL A 56 1.530 -2.955 -5.478 1.00 0.29 H new ATOM 884 N GLN A 57 -1.777 -0.410 -7.445 1.00 0.29 N ATOM 885 CA GLN A 57 -2.762 0.479 -8.114 1.00 0.35 C ATOM 886 C GLN A 57 -4.168 -0.060 -7.850 1.00 0.36 C ATOM 887 O GLN A 57 -5.077 0.677 -7.523 1.00 0.39 O ATOM 888 CB GLN A 57 -2.417 0.390 -9.603 1.00 0.41 C ATOM 889 CG GLN A 57 -2.398 1.795 -10.208 1.00 0.52 C ATOM 890 CD GLN A 57 -2.871 1.732 -11.661 1.00 1.04 C ATOM 891 OE1 GLN A 57 -3.166 0.669 -12.171 1.00 1.74 O ATOM 892 NE2 GLN A 57 -2.956 2.834 -12.355 1.00 1.65 N ATOM 0 H GLN A 57 -1.108 -0.861 -8.069 1.00 0.29 H new ATOM 0 HA GLN A 57 -2.730 1.508 -7.757 1.00 0.35 H new ATOM 0 HB2 GLN A 57 -1.446 -0.087 -9.734 1.00 0.41 H new ATOM 0 HB3 GLN A 57 -3.149 -0.230 -10.120 1.00 0.41 H new ATOM 0 HG2 GLN A 57 -3.044 2.459 -9.633 1.00 0.52 H new ATOM 0 HG3 GLN A 57 -1.391 2.209 -10.160 1.00 0.52 H new ATOM 0 HE21 GLN A 57 -2.709 3.726 -11.927 1.00 1.65 H new ATOM 0 HE22 GLN A 57 -3.270 2.803 -13.325 1.00 1.65 H new ATOM 901 N ARG A 58 -4.346 -1.350 -7.969 1.00 0.36 N ATOM 902 CA ARG A 58 -5.685 -1.944 -7.702 1.00 0.40 C ATOM 903 C ARG A 58 -6.113 -1.580 -6.282 1.00 0.37 C ATOM 904 O ARG A 58 -7.107 -0.915 -6.072 1.00 0.45 O ATOM 905 CB ARG A 58 -5.486 -3.455 -7.839 1.00 0.44 C ATOM 906 CG ARG A 58 -6.758 -4.183 -7.400 1.00 0.49 C ATOM 907 CD ARG A 58 -6.552 -5.694 -7.524 1.00 0.47 C ATOM 908 NE ARG A 58 -7.351 -6.094 -8.715 1.00 0.86 N ATOM 909 CZ ARG A 58 -7.279 -7.315 -9.169 1.00 1.15 C ATOM 910 NH1 ARG A 58 -7.795 -8.298 -8.483 1.00 1.55 N ATOM 911 NH2 ARG A 58 -6.690 -7.553 -10.309 1.00 1.79 N ATOM 0 H ARG A 58 -3.622 -2.015 -8.239 1.00 0.36 H new ATOM 0 HA ARG A 58 -6.456 -1.583 -8.383 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -5.248 -3.708 -8.872 1.00 0.44 H new ATOM 0 HB3 ARG A 58 -4.642 -3.777 -7.229 1.00 0.44 H new ATOM 0 HG2 ARG A 58 -7.002 -3.922 -6.370 1.00 0.49 H new ATOM 0 HG3 ARG A 58 -7.600 -3.869 -8.016 1.00 0.49 H new ATOM 0 HD2 ARG A 58 -5.498 -5.939 -7.655 1.00 0.47 H new ATOM 0 HD3 ARG A 58 -6.891 -6.214 -6.628 1.00 0.47 H new ATOM 0 HE ARG A 58 -7.955 -5.413 -9.176 1.00 0.86 H new ATOM 0 HH11 ARG A 58 -8.255 -8.112 -7.592 1.00 1.55 H new ATOM 0 HH12 ARG A 58 -7.739 -9.253 -8.838 1.00 1.55 H new ATOM 0 HH21 ARG A 58 -6.286 -6.785 -10.845 1.00 1.79 H new ATOM 0 HH22 ARG A 58 -6.633 -8.507 -10.664 1.00 1.79 H new ATOM 925 N TYR A 59 -5.352 -1.990 -5.302 1.00 0.36 N ATOM 926 CA TYR A 59 -5.701 -1.641 -3.898 1.00 0.34 C ATOM 927 C TYR A 59 -5.836 -0.123 -3.792 1.00 0.32 C ATOM 928 O TYR A 59 -6.828 0.402 -3.327 1.00 0.35 O ATOM 929 CB TYR A 59 -4.513 -2.119 -3.056 1.00 0.34 C ATOM 930 CG TYR A 59 -4.368 -3.628 -3.118 1.00 0.29 C ATOM 931 CD1 TYR A 59 -5.263 -4.411 -3.863 1.00 0.37 C ATOM 932 CD2 TYR A 59 -3.325 -4.245 -2.412 1.00 0.29 C ATOM 933 CE1 TYR A 59 -5.111 -5.802 -3.897 1.00 0.37 C ATOM 934 CE2 TYR A 59 -3.178 -5.636 -2.447 1.00 0.36 C ATOM 935 CZ TYR A 59 -4.072 -6.413 -3.190 1.00 0.34 C ATOM 936 OH TYR A 59 -3.933 -7.782 -3.225 1.00 0.45 O ATOM 0 H TYR A 59 -4.507 -2.550 -5.415 1.00 0.36 H new ATOM 0 HA TYR A 59 -6.636 -2.095 -3.569 1.00 0.34 H new ATOM 0 HB2 TYR A 59 -3.597 -1.648 -3.414 1.00 0.34 H new ATOM 0 HB3 TYR A 59 -4.649 -1.806 -2.021 1.00 0.34 H new ATOM 0 HD1 TYR A 59 -6.068 -3.941 -4.409 1.00 0.37 H new ATOM 0 HD2 TYR A 59 -2.633 -3.645 -1.840 1.00 0.29 H new ATOM 0 HE1 TYR A 59 -5.799 -6.405 -4.471 1.00 0.37 H new ATOM 0 HE2 TYR A 59 -2.375 -6.109 -1.901 1.00 0.36 H new ATOM 0 HH TYR A 59 -2.993 -8.019 -3.079 1.00 0.45 H new ATOM 946 N MET A 60 -4.834 0.574 -4.241 1.00 0.35 N ATOM 947 CA MET A 60 -4.857 2.062 -4.205 1.00 0.40 C ATOM 948 C MET A 60 -6.109 2.581 -4.919 1.00 0.43 C ATOM 949 O MET A 60 -6.642 3.620 -4.584 1.00 0.48 O ATOM 950 CB MET A 60 -3.592 2.469 -4.957 1.00 0.52 C ATOM 951 CG MET A 60 -2.379 2.253 -4.049 1.00 0.88 C ATOM 952 SD MET A 60 -0.955 3.128 -4.730 1.00 0.86 S ATOM 953 CE MET A 60 -1.466 4.772 -4.192 1.00 1.39 C ATOM 0 H MET A 60 -3.986 0.170 -4.638 1.00 0.35 H new ATOM 0 HA MET A 60 -4.884 2.468 -3.194 1.00 0.40 H new ATOM 0 HB2 MET A 60 -3.490 1.879 -5.868 1.00 0.52 H new ATOM 0 HB3 MET A 60 -3.654 3.514 -5.259 1.00 0.52 H new ATOM 0 HG2 MET A 60 -2.595 2.615 -3.044 1.00 0.88 H new ATOM 0 HG3 MET A 60 -2.159 1.189 -3.965 1.00 0.88 H new ATOM 0 HE1 MET A 60 -1.328 5.481 -5.008 1.00 1.39 H new ATOM 0 HE2 MET A 60 -2.517 4.750 -3.904 1.00 1.39 H new ATOM 0 HE3 MET A 60 -0.862 5.079 -3.338 1.00 1.39 H new ATOM 963 N LYS A 61 -6.584 1.858 -5.897 1.00 0.44 N ATOM 964 CA LYS A 61 -7.805 2.301 -6.629 1.00 0.50 C ATOM 965 C LYS A 61 -9.034 2.156 -5.729 1.00 0.46 C ATOM 966 O LYS A 61 -9.805 3.080 -5.563 1.00 0.54 O ATOM 967 CB LYS A 61 -7.908 1.367 -7.835 1.00 0.53 C ATOM 968 CG LYS A 61 -9.024 1.852 -8.763 1.00 0.92 C ATOM 969 CD LYS A 61 -8.679 1.489 -10.209 1.00 1.18 C ATOM 970 CE LYS A 61 -9.458 2.398 -11.163 1.00 1.75 C ATOM 971 NZ LYS A 61 -8.821 2.194 -12.494 1.00 2.20 N ATOM 0 H LYS A 61 -6.179 0.980 -6.221 1.00 0.44 H new ATOM 0 HA LYS A 61 -7.751 3.347 -6.932 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -6.959 1.343 -8.371 1.00 0.53 H new ATOM 0 HB3 LYS A 61 -8.113 0.349 -7.503 1.00 0.53 H new ATOM 0 HG2 LYS A 61 -9.972 1.396 -8.479 1.00 0.92 H new ATOM 0 HG3 LYS A 61 -9.148 2.931 -8.667 1.00 0.92 H new ATOM 0 HD2 LYS A 61 -7.608 1.600 -10.377 1.00 1.18 H new ATOM 0 HD3 LYS A 61 -8.926 0.445 -10.402 1.00 1.18 H new ATOM 0 HE2 LYS A 61 -10.515 2.133 -11.186 1.00 1.75 H new ATOM 0 HE3 LYS A 61 -9.398 3.441 -10.852 1.00 1.75 H new ATOM 0 HZ1 LYS A 61 -9.301 2.785 -13.203 1.00 2.20 H new ATOM 0 HZ2 LYS A 61 -7.817 2.461 -12.443 1.00 2.20 H new ATOM 0 HZ3 LYS A 61 -8.900 1.194 -12.767 1.00 2.20 H new ATOM 985 N ASN A 62 -9.218 1.006 -5.139 1.00 0.40 N ATOM 986 CA ASN A 62 -10.393 0.812 -4.244 1.00 0.44 C ATOM 987 C ASN A 62 -10.171 1.574 -2.937 1.00 0.44 C ATOM 988 O ASN A 62 -11.101 2.032 -2.303 1.00 0.53 O ATOM 989 CB ASN A 62 -10.456 -0.694 -3.986 1.00 0.46 C ATOM 990 CG ASN A 62 -11.916 -1.149 -3.969 1.00 0.97 C ATOM 991 OD1 ASN A 62 -12.817 -0.345 -4.103 1.00 1.66 O ATOM 992 ND2 ASN A 62 -12.190 -2.415 -3.807 1.00 1.49 N ATOM 0 H ASN A 62 -8.607 0.195 -5.238 1.00 0.40 H new ATOM 0 HA ASN A 62 -11.320 1.182 -4.683 1.00 0.44 H new ATOM 0 HB2 ASN A 62 -9.906 -1.229 -4.760 1.00 0.46 H new ATOM 0 HB3 ASN A 62 -9.979 -0.931 -3.035 1.00 0.46 H new ATOM 0 HD21 ASN A 62 -13.160 -2.729 -3.793 1.00 1.49 H new ATOM 0 HD22 ASN A 62 -11.434 -3.090 -3.695 1.00 1.49 H new ATOM 999 N LEU A 63 -8.938 1.715 -2.535 1.00 0.41 N ATOM 1000 CA LEU A 63 -8.635 2.448 -1.275 1.00 0.47 C ATOM 1001 C LEU A 63 -8.962 3.934 -1.439 1.00 0.53 C ATOM 1002 O LEU A 63 -9.297 4.615 -0.490 1.00 0.61 O ATOM 1003 CB LEU A 63 -7.136 2.243 -1.062 1.00 0.48 C ATOM 1004 CG LEU A 63 -6.914 0.974 -0.241 1.00 0.52 C ATOM 1005 CD1 LEU A 63 -5.660 0.254 -0.737 1.00 0.60 C ATOM 1006 CD2 LEU A 63 -6.740 1.344 1.234 1.00 0.62 C ATOM 0 H LEU A 63 -8.123 1.351 -3.029 1.00 0.41 H new ATOM 0 HA LEU A 63 -9.221 2.090 -0.429 1.00 0.47 H new ATOM 0 HB2 LEU A 63 -6.628 2.162 -2.023 1.00 0.48 H new ATOM 0 HB3 LEU A 63 -6.709 3.103 -0.547 1.00 0.48 H new ATOM 0 HG LEU A 63 -7.776 0.316 -0.352 1.00 0.52 H new ATOM 0 HD11 LEU A 63 -5.504 -0.651 -0.150 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -5.784 -0.012 -1.787 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -4.797 0.910 -0.629 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -6.582 0.439 1.820 1.00 0.62 H new ATOM 0 HD22 LEU A 63 -5.879 2.003 1.345 1.00 0.62 H new ATOM 0 HD23 LEU A 63 -7.635 1.854 1.589 1.00 0.62 H new ATOM 1018 N ASP A 64 -8.869 4.441 -2.637 1.00 0.53 N ATOM 1019 CA ASP A 64 -9.177 5.882 -2.863 1.00 0.63 C ATOM 1020 C ASP A 64 -10.671 6.141 -2.647 1.00 0.65 C ATOM 1021 O ASP A 64 -11.066 7.175 -2.148 1.00 0.75 O ATOM 1022 CB ASP A 64 -8.792 6.147 -4.319 1.00 0.70 C ATOM 1023 CG ASP A 64 -7.866 7.363 -4.389 1.00 1.02 C ATOM 1024 OD1 ASP A 64 -7.125 7.573 -3.443 1.00 1.58 O ATOM 1025 OD2 ASP A 64 -7.914 8.062 -5.388 1.00 1.66 O ATOM 0 H ASP A 64 -8.593 3.920 -3.470 1.00 0.53 H new ATOM 0 HA ASP A 64 -8.638 6.533 -2.175 1.00 0.63 H new ATOM 0 HB2 ASP A 64 -8.294 5.273 -4.740 1.00 0.70 H new ATOM 0 HB3 ASP A 64 -9.686 6.323 -4.917 1.00 0.70 H new ATOM 1030 N ALA A 65 -11.504 5.207 -3.018 1.00 0.65 N ATOM 1031 CA ALA A 65 -12.971 5.399 -2.833 1.00 0.77 C ATOM 1032 C ALA A 65 -13.333 5.302 -1.348 1.00 0.89 C ATOM 1033 O ALA A 65 -14.364 5.781 -0.918 1.00 1.11 O ATOM 1034 CB ALA A 65 -13.621 4.260 -3.618 1.00 0.95 C ATOM 0 H ALA A 65 -11.232 4.320 -3.441 1.00 0.65 H new ATOM 0 HA ALA A 65 -13.307 6.376 -3.179 1.00 0.77 H new ATOM 0 HB1 ALA A 65 -14.705 4.331 -3.532 1.00 0.95 H new ATOM 0 HB2 ALA A 65 -13.335 4.332 -4.667 1.00 0.95 H new ATOM 0 HB3 ALA A 65 -13.287 3.304 -3.216 1.00 0.95 H new ATOM 1040 N LYS A 66 -12.493 4.687 -0.562 1.00 0.93 N ATOM 1041 CA LYS A 66 -12.789 4.560 0.894 1.00 1.18 C ATOM 1042 C LYS A 66 -12.162 5.721 1.667 1.00 1.32 C ATOM 1043 O LYS A 66 -12.845 6.598 2.157 1.00 1.58 O ATOM 1044 CB LYS A 66 -12.156 3.233 1.314 1.00 1.41 C ATOM 1045 CG LYS A 66 -12.340 3.033 2.819 1.00 1.99 C ATOM 1046 CD LYS A 66 -12.574 1.550 3.113 1.00 2.28 C ATOM 1047 CE LYS A 66 -12.560 1.321 4.626 1.00 3.02 C ATOM 1048 NZ LYS A 66 -12.362 -0.146 4.791 1.00 3.49 N ATOM 0 H LYS A 66 -11.614 4.267 -0.864 1.00 0.93 H new ATOM 0 HA LYS A 66 -13.859 4.585 1.099 1.00 1.18 H new ATOM 0 HB2 LYS A 66 -12.616 2.410 0.768 1.00 1.41 H new ATOM 0 HB3 LYS A 66 -11.095 3.228 1.063 1.00 1.41 H new ATOM 0 HG2 LYS A 66 -11.458 3.386 3.354 1.00 1.99 H new ATOM 0 HG3 LYS A 66 -13.185 3.623 3.174 1.00 1.99 H new ATOM 0 HD2 LYS A 66 -13.529 1.232 2.695 1.00 2.28 H new ATOM 0 HD3 LYS A 66 -11.801 0.947 2.636 1.00 2.28 H new ATOM 0 HE2 LYS A 66 -11.758 1.884 5.103 1.00 3.02 H new ATOM 0 HE3 LYS A 66 -13.494 1.647 5.083 1.00 3.02 H new ATOM 0 HZ1 LYS A 66 -12.341 -0.382 5.804 1.00 3.49 H new ATOM 0 HZ2 LYS A 66 -13.144 -0.656 4.333 1.00 3.49 H new ATOM 0 HZ3 LYS A 66 -11.462 -0.426 4.352 1.00 3.49 H new ATOM 1062 N GLN A 67 -10.864 5.731 1.778 1.00 1.48 N ATOM 1063 CA GLN A 67 -10.183 6.832 2.519 1.00 1.91 C ATOM 1064 C GLN A 67 -10.689 8.194 2.033 1.00 2.26 C ATOM 1065 O GLN A 67 -11.409 8.883 2.729 1.00 2.94 O ATOM 1066 CB GLN A 67 -8.697 6.665 2.198 1.00 2.43 C ATOM 1067 CG GLN A 67 -7.896 7.766 2.896 1.00 2.90 C ATOM 1068 CD GLN A 67 -7.639 7.368 4.350 1.00 3.53 C ATOM 1069 OE1 GLN A 67 -6.681 6.681 4.643 1.00 4.11 O ATOM 1070 NE2 GLN A 67 -8.460 7.772 5.280 1.00 3.89 N ATOM 0 H GLN A 67 -10.242 5.023 1.387 1.00 1.48 H new ATOM 0 HA GLN A 67 -10.376 6.788 3.591 1.00 1.91 H new ATOM 0 HB2 GLN A 67 -8.351 5.685 2.527 1.00 2.43 H new ATOM 0 HB3 GLN A 67 -8.539 6.714 1.121 1.00 2.43 H new ATOM 0 HG2 GLN A 67 -6.950 7.925 2.379 1.00 2.90 H new ATOM 0 HG3 GLN A 67 -8.443 8.708 2.857 1.00 2.90 H new ATOM 0 HE21 GLN A 67 -9.265 8.349 5.035 1.00 3.89 H new ATOM 0 HE22 GLN A 67 -8.297 7.511 6.253 1.00 3.89 H new ATOM 1079 N LYS A 68 -10.320 8.587 0.845 1.00 2.25 N ATOM 1080 CA LYS A 68 -10.782 9.904 0.318 1.00 2.91 C ATOM 1081 C LYS A 68 -12.307 9.912 0.182 1.00 3.50 C ATOM 1082 O LYS A 68 -12.847 9.641 -0.872 1.00 3.82 O ATOM 1083 CB LYS A 68 -10.119 10.037 -1.054 1.00 3.29 C ATOM 1084 CG LYS A 68 -10.616 11.310 -1.741 1.00 3.94 C ATOM 1085 CD LYS A 68 -11.580 10.940 -2.870 1.00 4.67 C ATOM 1086 CE LYS A 68 -11.125 11.607 -4.171 1.00 5.29 C ATOM 1087 NZ LYS A 68 -11.884 10.910 -5.246 1.00 5.98 N ATOM 0 H LYS A 68 -9.719 8.054 0.216 1.00 2.25 H new ATOM 0 HA LYS A 68 -10.518 10.730 0.979 1.00 2.91 H new ATOM 0 HB2 LYS A 68 -9.035 10.070 -0.944 1.00 3.29 H new ATOM 0 HB3 LYS A 68 -10.351 9.166 -1.667 1.00 3.29 H new ATOM 0 HG2 LYS A 68 -11.117 11.954 -1.018 1.00 3.94 H new ATOM 0 HG3 LYS A 68 -9.772 11.874 -2.139 1.00 3.94 H new ATOM 0 HD2 LYS A 68 -11.611 9.858 -2.996 1.00 4.67 H new ATOM 0 HD3 LYS A 68 -12.591 11.261 -2.619 1.00 4.67 H new ATOM 0 HE2 LYS A 68 -11.342 12.675 -4.164 1.00 5.29 H new ATOM 0 HE3 LYS A 68 -10.050 11.501 -4.314 1.00 5.29 H new ATOM 0 HZ1 LYS A 68 -11.218 10.461 -5.906 1.00 5.98 H new ATOM 0 HZ2 LYS A 68 -12.496 10.183 -4.823 1.00 5.98 H new ATOM 0 HZ3 LYS A 68 -12.469 11.599 -5.760 1.00 5.98 H new ATOM 1101 N LYS A 69 -13.005 10.221 1.240 1.00 4.17 N ATOM 1102 CA LYS A 69 -14.495 10.246 1.168 1.00 5.16 C ATOM 1103 C LYS A 69 -14.961 11.380 0.252 1.00 5.82 C ATOM 1104 O LYS A 69 -15.388 12.422 0.707 1.00 5.97 O ATOM 1105 CB LYS A 69 -14.958 10.491 2.605 1.00 5.80 C ATOM 1106 CG LYS A 69 -14.810 9.203 3.418 1.00 6.41 C ATOM 1107 CD LYS A 69 -15.887 8.201 2.995 1.00 7.05 C ATOM 1108 CE LYS A 69 -17.264 8.712 3.427 1.00 7.94 C ATOM 1109 NZ LYS A 69 -17.148 8.939 4.895 1.00 8.44 N ATOM 0 H LYS A 69 -12.610 10.457 2.150 1.00 4.17 H new ATOM 0 HA LYS A 69 -14.904 9.321 0.761 1.00 5.16 H new ATOM 0 HB2 LYS A 69 -14.368 11.288 3.057 1.00 5.80 H new ATOM 0 HB3 LYS A 69 -15.997 10.820 2.612 1.00 5.80 H new ATOM 0 HG2 LYS A 69 -13.820 8.775 3.262 1.00 6.41 H new ATOM 0 HG3 LYS A 69 -14.900 9.421 4.482 1.00 6.41 H new ATOM 0 HD2 LYS A 69 -15.863 8.061 1.914 1.00 7.05 H new ATOM 0 HD3 LYS A 69 -15.691 7.229 3.447 1.00 7.05 H new ATOM 0 HE2 LYS A 69 -17.525 9.632 2.905 1.00 7.94 H new ATOM 0 HE3 LYS A 69 -18.044 7.985 3.200 1.00 7.94 H new ATOM 0 HZ1 LYS A 69 -18.074 8.790 5.344 1.00 8.44 H new ATOM 0 HZ2 LYS A 69 -16.458 8.272 5.296 1.00 8.44 H new ATOM 0 HZ3 LYS A 69 -16.831 9.914 5.072 1.00 8.44 H new ATOM 1123 N ALA A 70 -14.883 11.184 -1.036 1.00 6.55 N ATOM 1124 CA ALA A 70 -15.323 12.251 -1.980 1.00 7.46 C ATOM 1125 C ALA A 70 -16.764 12.666 -1.674 1.00 7.96 C ATOM 1126 O ALA A 70 -17.009 13.645 -0.997 1.00 8.30 O ATOM 1127 CB ALA A 70 -15.228 11.616 -3.367 1.00 7.84 C ATOM 0 H ALA A 70 -14.534 10.332 -1.475 1.00 6.55 H new ATOM 0 HA ALA A 70 -14.712 13.150 -1.902 1.00 7.46 H new ATOM 0 HB1 ALA A 70 -15.536 12.340 -4.121 1.00 7.84 H new ATOM 0 HB2 ALA A 70 -14.199 11.310 -3.557 1.00 7.84 H new ATOM 0 HB3 ALA A 70 -15.880 10.744 -3.413 1.00 7.84 H new ATOM 1133 N SER A 71 -17.719 11.930 -2.169 1.00 8.29 N ATOM 1134 CA SER A 71 -19.144 12.281 -1.907 1.00 9.07 C ATOM 1135 C SER A 71 -20.044 11.068 -2.162 1.00 9.78 C ATOM 1136 O SER A 71 -19.650 10.133 -2.831 1.00 10.10 O ATOM 1137 CB SER A 71 -19.464 13.402 -2.895 1.00 9.33 C ATOM 1138 OG SER A 71 -19.569 12.858 -4.204 1.00 9.51 O ATOM 0 H SER A 71 -17.575 11.100 -2.744 1.00 8.29 H new ATOM 0 HA SER A 71 -19.310 12.588 -0.874 1.00 9.07 H new ATOM 0 HB2 SER A 71 -20.397 13.893 -2.617 1.00 9.33 H new ATOM 0 HB3 SER A 71 -18.683 14.162 -2.866 1.00 9.33 H new ATOM 0 HG SER A 71 -19.776 13.574 -4.840 1.00 9.51 H new ATOM 1144 N PRO A 72 -21.231 11.125 -1.618 1.00 10.23 N ATOM 1145 CA PRO A 72 -22.201 10.017 -1.788 1.00 11.13 C ATOM 1146 C PRO A 72 -22.747 9.995 -3.219 1.00 11.94 C ATOM 1147 O PRO A 72 -23.153 8.967 -3.723 1.00 12.41 O ATOM 1148 CB PRO A 72 -23.304 10.346 -0.791 1.00 11.51 C ATOM 1149 CG PRO A 72 -23.218 11.823 -0.598 1.00 11.12 C ATOM 1150 CD PRO A 72 -21.778 12.214 -0.802 1.00 10.17 C ATOM 0 HA PRO A 72 -21.760 9.035 -1.617 1.00 11.13 H new ATOM 0 HB2 PRO A 72 -24.282 10.054 -1.173 1.00 11.51 H new ATOM 0 HB3 PRO A 72 -23.158 9.815 0.150 1.00 11.51 H new ATOM 0 HG2 PRO A 72 -23.862 12.342 -1.308 1.00 11.12 H new ATOM 0 HG3 PRO A 72 -23.555 12.101 0.401 1.00 11.12 H new ATOM 0 HD2 PRO A 72 -21.693 13.175 -1.309 1.00 10.17 H new ATOM 0 HD3 PRO A 72 -21.250 12.306 0.147 1.00 10.17 H new ATOM 1158 N ARG A 73 -22.758 11.123 -3.875 1.00 12.27 N ATOM 1159 CA ARG A 73 -23.277 11.167 -5.272 1.00 13.19 C ATOM 1160 C ARG A 73 -22.279 10.504 -6.227 1.00 13.52 C ATOM 1161 O ARG A 73 -22.720 9.943 -7.216 1.00 13.78 O ATOM 1162 CB ARG A 73 -23.422 12.656 -5.592 1.00 13.52 C ATOM 1163 CG ARG A 73 -23.809 12.829 -7.062 1.00 14.25 C ATOM 1164 CD ARG A 73 -22.775 13.713 -7.762 1.00 14.79 C ATOM 1165 NE ARG A 73 -21.489 12.973 -7.638 1.00 15.36 N ATOM 1166 CZ ARG A 73 -20.739 12.787 -8.690 1.00 15.79 C ATOM 1167 NH1 ARG A 73 -20.042 13.777 -9.177 1.00 16.28 N ATOM 1168 NH2 ARG A 73 -20.686 11.612 -9.254 1.00 15.86 N ATOM 1169 OXT ARG A 73 -21.093 10.570 -5.952 1.00 13.65 O ATOM 0 H ARG A 73 -22.431 12.015 -3.505 1.00 12.27 H new ATOM 0 HA ARG A 73 -24.221 10.634 -5.381 1.00 13.19 H new ATOM 0 HB2 ARG A 73 -24.181 13.104 -4.950 1.00 13.52 H new ATOM 0 HB3 ARG A 73 -22.485 13.175 -5.388 1.00 13.52 H new ATOM 0 HG2 ARG A 73 -23.863 11.857 -7.552 1.00 14.25 H new ATOM 0 HG3 ARG A 73 -24.799 13.279 -7.138 1.00 14.25 H new ATOM 0 HD2 ARG A 73 -23.038 13.876 -8.807 1.00 14.79 H new ATOM 0 HD3 ARG A 73 -22.712 14.695 -7.293 1.00 14.79 H new ATOM 0 HE ARG A 73 -21.194 12.611 -6.731 1.00 15.36 H new ATOM 0 HH11 ARG A 73 -20.083 14.696 -8.736 1.00 16.28 H new ATOM 0 HH12 ARG A 73 -19.456 13.632 -9.999 1.00 16.28 H new ATOM 0 HH21 ARG A 73 -21.231 10.838 -8.873 1.00 15.86 H new ATOM 0 HH22 ARG A 73 -20.100 11.467 -10.076 1.00 15.86 H new TER 1183 ARG A 73 CONECT 98 505 CONECT 108 752 CONECT 505 98 CONECT 752 108 END