USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) HEADER CYTOKINE 20-OCT-00 1G2S TITLE SOLUTION STRUCTURE OF EOTAXIN-3 COMPND MOL_ID: 1; COMPND 2 MOLECULE: EOTAXIN-3; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SMALL INDUCIBLE CYTOKINE A26, MACROPHAGE COMPND 5 INFLAMMATORY PROTEIN 4-ALPHA; 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 ORGAN: LUNG; SOURCE 6 GENE: EOTAXIN-3; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PET28A+ KEYWDS BETA-BETA-BETA-ALPHA HELIX, CYTOKINE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.YE,K.L.MAYER,M.R.MAYER,M.J.STONE REVDAT 2 24-FEB-09 1G2S 1 VERSN REVDAT 1 13-MAR-02 1G2S 0 JRNL AUTH J.YE,K.L.MAYER,M.R.MAYER,M.J.STONE JRNL TITL NMR SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF JRNL TITL 2 THE CC CHEMOKINE EOTAXIN-3. JRNL REF BIOCHEMISTRY V. 40 7820 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11425309 JRNL DOI 10.1021/BI010252S REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROCHECK_NMR PROCHECK V.3 REMARK 3 AUTHORS : LASKOWSKI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 1250 RESTRAINTS, 1157 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 69 DIHEDRAL ANGLE RESTRAINTS, 17 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS. REMARK 4 REMARK 4 1G2S COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-OCT-00. REMARK 100 THE RCSB ID CODE IS RCSB012162. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5 REMARK 210 IONIC STRENGTH : 20 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2 MM EOTAXIN-3,U-15N, 20MM REMARK 210 SODIUM ACETATE (DETEURATED), REMARK 210 90% H2O, 10% D2O; 2 MM EOTAXIN REMARK 210 -3,U-15N, 13C, 20MM SODIUM REMARK 210 ACETATE (DETEURATED), 90% H2O, REMARK 210 10% D2O; 2 MM EOTAXIN-3,U-15N, REMARK 210 13C, 20MM SODIUM ACETATE REMARK 210 (DETEURATED), 100% D2O; 0.5 MM REMARK 210 EOTAXIN-3,10% 13C-LABELED, REMARK 210 20MM SODIUM ACETATE REMARK 210 (DETEURATED), 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA, REMARK 210 15N, 13C SIMULTANEOUSLY EDITED REMARK 210 NOESY, 3D_13C-SEPARATED_NOESY, REMARK 210 13C-EDITED HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR XPLOR98.1, FELIX REMARK 210 FELIX98, VNMR VNMR6.1, REMARK 210 PROCHECK_NMR PROCHECK V.3 REMARK 210 METHOD USED : DISTANCE GEOMETRY-SIMULATED REMARK 210 ANNEALING PROTOCOL IMPLEMENTED REMARK 210 IN XPLOR 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 ILE A 6 39.42 -93.14 REMARK 500 SER A 7 41.24 -95.84 REMARK 500 PHE A 12 -64.05 -160.11 REMARK 500 HIS A 16 74.83 -114.77 REMARK 500 ARG A 25 -61.33 -124.40 REMARK 500 SER A 26 -153.46 -153.54 REMARK 500 GLU A 28 137.86 -177.38 REMARK 500 LYS A 66 141.84 -174.39 REMARK 500 LYS A 69 52.90 -115.89 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 2 0.29 SIDE_CHAIN REMARK 500 ARG A 25 0.25 SIDE_CHAIN REMARK 500 ARG A 37 0.32 SIDE_CHAIN REMARK 500 ARG A 45 0.22 SIDE_CHAIN REMARK 500 ARG A 54 0.27 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1G2T RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF EOTAXIN-3, ENSEMBLE OF 20 STRUCTURES DBREF 1G2S A 1 71 UNP Q9Y258 CCL26_HUMAN 24 94 SEQRES 1 A 71 THR ARG GLY SER ASP ILE SER LYS THR CYS CYS PHE GLN SEQRES 2 A 71 TYR SER HIS LYS PRO LEU PRO TRP THR TRP VAL ARG SER SEQRES 3 A 71 TYR GLU PHE THR SER ASN SER CYS SER GLN ARG ALA VAL SEQRES 4 A 71 ILE PHE THR THR LYS ARG GLY LYS LYS VAL CYS THR HIS SEQRES 5 A 71 PRO ARG LYS LYS TRP VAL GLN LYS TYR ILE SER LEU LEU SEQRES 6 A 71 LYS THR PRO LYS GLN LEU HELIX 1 1 PRO A 20 THR A 22 5 3 HELIX 2 2 LYS A 55 LYS A 66 1 12 SHEET 1 A 3 VAL A 24 PHE A 29 0 SHEET 2 A 3 VAL A 39 THR A 43 -1 O ILE A 40 N GLU A 28 SHEET 3 A 3 LYS A 48 THR A 51 -1 O VAL A 49 N PHE A 41 SSBOND *** CYS A 10 CYS A 34 1555 1555 2.02 SSBOND *** CYS A 11 CYS A 50 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 26 SER OG : rot 180:sc= 0.183 USER MOD Set 1.2: A 42 THR OG1 : rot 126:sc= 0.334 USER MOD Set 2.1: A 14 TYR OH : rot 30:sc= -0.217 USER MOD Set 2.2: A 36 GLN : amide:sc= -0.762 X(o=-0.98,f=-1.1) USER MOD Set 3.1: A 7 SER OG : rot 60:sc= -0.0762 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -155:sc= 1.01 (180deg=-0.363) USER MOD Single : A 1 THR N :NH3+ -172:sc= -0.047 (180deg=-0.167) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 4 SER OG : rot -60:sc= 0.233 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -102:sc= -1.27 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 80:sc= 0.708 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00192 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -171:sc= 0.511 USER MOD Single : A 52 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-5.7!) USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0451) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.22) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -169:sc= 0.834 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.915 6.535 9.563 1.00 15.49 N ATOM 2 CA THR A 1 5.655 7.830 9.554 1.00 15.31 C ATOM 3 C THR A 1 6.900 7.733 10.439 1.00 14.39 C ATOM 4 O THR A 1 7.869 8.440 10.245 1.00 14.13 O ATOM 5 CB THR A 1 4.670 8.852 10.124 1.00 15.78 C ATOM 6 OG1 THR A 1 3.420 8.721 9.462 1.00 16.65 O ATOM 7 CG2 THR A 1 5.216 10.266 9.913 1.00 15.98 C ATOM 0 H1 THR A 1 4.151 6.567 8.858 1.00 15.49 H new ATOM 0 H2 THR A 1 5.569 5.760 9.331 1.00 15.49 H new ATOM 0 H3 THR A 1 4.508 6.374 10.507 1.00 15.49 H new ATOM 0 HA THR A 1 5.996 8.105 8.556 1.00 15.31 H new ATOM 0 HB THR A 1 4.538 8.673 11.191 1.00 15.78 H new ATOM 0 HG1 THR A 1 2.787 9.374 9.827 1.00 16.65 H new ATOM 0 HG21 THR A 1 4.512 10.992 10.320 1.00 15.98 H new ATOM 0 HG22 THR A 1 6.175 10.365 10.422 1.00 15.98 H new ATOM 0 HG23 THR A 1 5.350 10.449 8.847 1.00 15.98 H new ATOM 17 N ARG A 2 6.882 6.860 11.409 1.00 14.03 N ATOM 18 CA ARG A 2 8.064 6.716 12.306 1.00 13.27 C ATOM 19 C ARG A 2 8.521 5.256 12.346 1.00 12.59 C ATOM 20 O ARG A 2 8.809 4.714 13.394 1.00 12.79 O ATOM 21 CB ARG A 2 7.574 7.163 13.684 1.00 13.58 C ATOM 22 CG ARG A 2 8.550 8.185 14.270 1.00 13.77 C ATOM 23 CD ARG A 2 8.237 9.572 13.704 1.00 14.31 C ATOM 24 NE ARG A 2 7.299 10.184 14.686 1.00 14.75 N ATOM 25 CZ ARG A 2 7.591 11.327 15.243 1.00 15.42 C ATOM 26 NH1 ARG A 2 8.594 11.410 16.074 1.00 15.92 N ATOM 27 NH2 ARG A 2 6.881 12.388 14.969 1.00 15.71 N ATOM 0 H ARG A 2 6.100 6.240 11.619 1.00 14.03 H new ATOM 0 HA ARG A 2 8.915 7.306 11.966 1.00 13.27 H new ATOM 0 HB2 ARG A 2 6.579 7.601 13.603 1.00 13.58 H new ATOM 0 HB3 ARG A 2 7.491 6.303 14.348 1.00 13.58 H new ATOM 0 HG2 ARG A 2 8.471 8.198 15.357 1.00 13.77 H new ATOM 0 HG3 ARG A 2 9.575 7.905 14.028 1.00 13.77 H new ATOM 0 HD2 ARG A 2 9.143 10.169 13.598 1.00 14.31 H new ATOM 0 HD3 ARG A 2 7.784 9.502 12.715 1.00 14.31 H new ATOM 0 HE ARG A 2 6.428 9.709 14.923 1.00 14.75 H new ATOM 0 HH11 ARG A 2 9.149 10.581 16.288 1.00 15.92 H new ATOM 0 HH12 ARG A 2 8.823 12.303 16.510 1.00 15.92 H new ATOM 0 HH21 ARG A 2 6.097 12.323 14.319 1.00 15.71 H new ATOM 0 HH22 ARG A 2 7.110 13.281 15.405 1.00 15.71 H new ATOM 41 N GLY A 3 8.590 4.614 11.211 1.00 11.96 N ATOM 42 CA GLY A 3 9.027 3.190 11.187 1.00 11.47 C ATOM 43 C GLY A 3 10.231 3.040 10.256 1.00 10.60 C ATOM 44 O GLY A 3 11.352 3.331 10.622 1.00 10.49 O ATOM 0 H GLY A 3 8.363 5.014 10.301 1.00 11.96 H new ATOM 0 HA2 GLY A 3 9.289 2.862 12.193 1.00 11.47 H new ATOM 0 HA3 GLY A 3 8.210 2.554 10.847 1.00 11.47 H new ATOM 48 N SER A 4 10.007 2.586 9.053 1.00 10.16 N ATOM 49 CA SER A 4 11.139 2.415 8.097 1.00 9.46 C ATOM 50 C SER A 4 10.879 3.216 6.818 1.00 8.65 C ATOM 51 O SER A 4 10.326 2.712 5.860 1.00 8.82 O ATOM 52 CB SER A 4 11.178 0.918 7.794 1.00 9.87 C ATOM 53 OG SER A 4 11.773 0.712 6.520 1.00 10.04 O ATOM 0 H SER A 4 9.090 2.326 8.691 1.00 10.16 H new ATOM 0 HA SER A 4 12.083 2.773 8.507 1.00 9.46 H new ATOM 0 HB2 SER A 4 11.747 0.394 8.563 1.00 9.87 H new ATOM 0 HB3 SER A 4 10.169 0.506 7.808 1.00 9.87 H new ATOM 0 HG SER A 4 11.249 1.177 5.835 1.00 10.04 H new ATOM 59 N ASP A 5 11.273 4.460 6.795 1.00 8.00 N ATOM 60 CA ASP A 5 11.050 5.292 5.578 1.00 7.40 C ATOM 61 C ASP A 5 11.876 4.755 4.404 1.00 6.63 C ATOM 62 O ASP A 5 11.629 5.081 3.260 1.00 6.54 O ATOM 63 CB ASP A 5 11.518 6.695 5.967 1.00 7.71 C ATOM 64 CG ASP A 5 10.809 7.732 5.094 1.00 7.83 C ATOM 65 OD1 ASP A 5 9.698 7.460 4.670 1.00 8.12 O ATOM 66 OD2 ASP A 5 11.389 8.781 4.865 1.00 7.86 O ATOM 0 H ASP A 5 11.740 4.937 7.567 1.00 8.00 H new ATOM 0 HA ASP A 5 10.008 5.283 5.259 1.00 7.40 H new ATOM 0 HB2 ASP A 5 11.303 6.882 7.019 1.00 7.71 H new ATOM 0 HB3 ASP A 5 12.598 6.777 5.842 1.00 7.71 H new ATOM 71 N ILE A 6 12.857 3.935 4.675 1.00 6.22 N ATOM 72 CA ILE A 6 13.694 3.383 3.569 1.00 5.66 C ATOM 73 C ILE A 6 13.135 2.034 3.108 1.00 4.72 C ATOM 74 O ILE A 6 13.871 1.112 2.818 1.00 4.57 O ATOM 75 CB ILE A 6 15.090 3.204 4.172 1.00 6.38 C ATOM 76 CG1 ILE A 6 15.554 4.523 4.797 1.00 7.35 C ATOM 77 CG2 ILE A 6 16.073 2.793 3.074 1.00 6.22 C ATOM 78 CD1 ILE A 6 16.816 4.276 5.627 1.00 7.80 C ATOM 0 H ILE A 6 13.115 3.624 5.612 1.00 6.22 H new ATOM 0 HA ILE A 6 13.709 4.039 2.699 1.00 5.66 H new ATOM 0 HB ILE A 6 15.053 2.430 4.939 1.00 6.38 H new ATOM 0 HG12 ILE A 6 15.756 5.257 4.017 1.00 7.35 H new ATOM 0 HG13 ILE A 6 14.766 4.937 5.427 1.00 7.35 H new ATOM 0 HG21 ILE A 6 17.066 2.666 3.504 1.00 6.22 H new ATOM 0 HG22 ILE A 6 15.748 1.853 2.628 1.00 6.22 H new ATOM 0 HG23 ILE A 6 16.106 3.567 2.307 1.00 6.22 H new ATOM 0 HD11 ILE A 6 17.148 5.214 6.073 1.00 7.80 H new ATOM 0 HD12 ILE A 6 16.597 3.557 6.416 1.00 7.80 H new ATOM 0 HD13 ILE A 6 17.603 3.881 4.984 1.00 7.80 H new ATOM 90 N SER A 7 11.837 1.910 3.041 1.00 4.34 N ATOM 91 CA SER A 7 11.235 0.621 2.602 1.00 3.59 C ATOM 92 C SER A 7 10.913 0.665 1.106 1.00 2.95 C ATOM 93 O SER A 7 9.882 0.193 0.670 1.00 2.80 O ATOM 94 CB SER A 7 9.954 0.481 3.423 1.00 4.00 C ATOM 95 OG SER A 7 9.707 -0.897 3.676 1.00 4.59 O ATOM 0 H SER A 7 11.169 2.646 3.271 1.00 4.34 H new ATOM 0 HA SER A 7 11.911 -0.221 2.754 1.00 3.59 H new ATOM 0 HB2 SER A 7 10.050 1.024 4.363 1.00 4.00 H new ATOM 0 HB3 SER A 7 9.114 0.920 2.885 1.00 4.00 H new ATOM 0 HG SER A 7 10.460 -1.278 4.173 1.00 4.59 H new ATOM 101 N LYS A 8 11.788 1.224 0.315 1.00 2.90 N ATOM 102 CA LYS A 8 11.528 1.291 -1.151 1.00 2.48 C ATOM 103 C LYS A 8 11.736 -0.087 -1.785 1.00 1.64 C ATOM 104 O LYS A 8 12.602 -0.277 -2.616 1.00 2.29 O ATOM 105 CB LYS A 8 12.549 2.295 -1.690 1.00 3.15 C ATOM 106 CG LYS A 8 11.813 3.482 -2.316 1.00 3.78 C ATOM 107 CD LYS A 8 12.745 4.694 -2.362 1.00 4.59 C ATOM 108 CE LYS A 8 12.750 5.282 -3.776 1.00 5.40 C ATOM 109 NZ LYS A 8 11.582 6.206 -3.814 1.00 6.00 N ATOM 0 H LYS A 8 12.670 1.636 0.620 1.00 2.90 H new ATOM 0 HA LYS A 8 10.506 1.593 -1.378 1.00 2.48 H new ATOM 0 HB2 LYS A 8 13.198 2.639 -0.884 1.00 3.15 H new ATOM 0 HB3 LYS A 8 13.189 1.817 -2.432 1.00 3.15 H new ATOM 0 HG2 LYS A 8 11.480 3.227 -3.322 1.00 3.78 H new ATOM 0 HG3 LYS A 8 10.921 3.718 -1.735 1.00 3.78 H new ATOM 0 HD2 LYS A 8 12.416 5.446 -1.645 1.00 4.59 H new ATOM 0 HD3 LYS A 8 13.755 4.401 -2.075 1.00 4.59 H new ATOM 0 HE2 LYS A 8 13.680 5.813 -3.979 1.00 5.40 H new ATOM 0 HE3 LYS A 8 12.659 4.499 -4.529 1.00 5.40 H new ATOM 0 HZ1 LYS A 8 11.519 6.648 -4.753 1.00 6.00 H new ATOM 0 HZ2 LYS A 8 10.710 5.672 -3.624 1.00 6.00 H new ATOM 0 HZ3 LYS A 8 11.700 6.944 -3.091 1.00 6.00 H new ATOM 123 N THR A 9 10.948 -1.052 -1.395 1.00 0.88 N ATOM 124 CA THR A 9 11.100 -2.420 -1.971 1.00 1.06 C ATOM 125 C THR A 9 10.012 -2.679 -3.017 1.00 0.84 C ATOM 126 O THR A 9 8.920 -2.154 -2.935 1.00 0.93 O ATOM 127 CB THR A 9 10.937 -3.369 -0.783 1.00 1.81 C ATOM 128 OG1 THR A 9 11.049 -4.712 -1.233 1.00 2.52 O ATOM 129 CG2 THR A 9 9.564 -3.156 -0.142 1.00 2.50 C ATOM 0 H THR A 9 10.206 -0.953 -0.703 1.00 0.88 H new ATOM 0 HA THR A 9 12.059 -2.553 -2.472 1.00 1.06 H new ATOM 0 HB THR A 9 11.714 -3.166 -0.046 1.00 1.81 H new ATOM 0 HG1 THR A 9 10.946 -5.321 -0.472 1.00 2.52 H new ATOM 0 HG21 THR A 9 9.449 -3.833 0.705 1.00 2.50 H new ATOM 0 HG22 THR A 9 9.479 -2.126 0.203 1.00 2.50 H new ATOM 0 HG23 THR A 9 8.784 -3.358 -0.877 1.00 2.50 H new ATOM 137 N CYS A 10 10.303 -3.486 -4.001 1.00 0.74 N ATOM 138 CA CYS A 10 9.289 -3.780 -5.052 1.00 0.58 C ATOM 139 C CYS A 10 8.287 -4.820 -4.541 1.00 0.50 C ATOM 140 O CYS A 10 8.359 -5.262 -3.412 1.00 0.67 O ATOM 141 CB CYS A 10 10.091 -4.342 -6.227 1.00 0.72 C ATOM 142 SG CYS A 10 11.351 -3.144 -6.735 1.00 0.97 S ATOM 0 H CYS A 10 11.201 -3.955 -4.122 1.00 0.74 H new ATOM 0 HA CYS A 10 8.716 -2.897 -5.334 1.00 0.58 H new ATOM 0 HB2 CYS A 10 10.563 -5.282 -5.941 1.00 0.72 H new ATOM 0 HB3 CYS A 10 9.426 -4.561 -7.062 1.00 0.72 H new ATOM 147 N CYS A 11 7.355 -5.217 -5.364 1.00 0.39 N ATOM 148 CA CYS A 11 6.353 -6.231 -4.925 1.00 0.38 C ATOM 149 C CYS A 11 6.217 -7.330 -5.981 1.00 0.48 C ATOM 150 O CYS A 11 6.908 -7.333 -6.980 1.00 0.84 O ATOM 151 CB CYS A 11 5.040 -5.459 -4.784 1.00 0.43 C ATOM 152 SG CYS A 11 5.002 -4.619 -3.181 1.00 0.51 S ATOM 0 H CYS A 11 7.244 -4.883 -6.321 1.00 0.39 H new ATOM 0 HA CYS A 11 6.641 -6.718 -3.993 1.00 0.38 H new ATOM 0 HB2 CYS A 11 4.945 -4.731 -5.590 1.00 0.43 H new ATOM 0 HB3 CYS A 11 4.194 -6.141 -4.869 1.00 0.43 H new ATOM 157 N PHE A 12 5.329 -8.262 -5.770 1.00 0.52 N ATOM 158 CA PHE A 12 5.146 -9.358 -6.762 1.00 0.60 C ATOM 159 C PHE A 12 3.778 -10.017 -6.571 1.00 0.75 C ATOM 160 O PHE A 12 2.925 -9.963 -7.435 1.00 1.37 O ATOM 161 CB PHE A 12 6.269 -10.353 -6.469 1.00 0.67 C ATOM 162 CG PHE A 12 7.191 -10.438 -7.662 1.00 1.32 C ATOM 163 CD1 PHE A 12 6.665 -10.683 -8.937 1.00 2.29 C ATOM 164 CD2 PHE A 12 8.570 -10.270 -7.494 1.00 1.55 C ATOM 165 CE1 PHE A 12 7.520 -10.762 -10.043 1.00 3.37 C ATOM 166 CE2 PHE A 12 9.425 -10.348 -8.600 1.00 2.59 C ATOM 167 CZ PHE A 12 8.900 -10.594 -9.875 1.00 3.48 C ATOM 0 H PHE A 12 4.721 -8.312 -4.952 1.00 0.52 H new ATOM 0 HA PHE A 12 5.184 -8.996 -7.790 1.00 0.60 H new ATOM 0 HB2 PHE A 12 6.827 -10.039 -5.587 1.00 0.67 H new ATOM 0 HB3 PHE A 12 5.851 -11.335 -6.249 1.00 0.67 H new ATOM 0 HD1 PHE A 12 5.600 -10.811 -9.067 1.00 2.29 H new ATOM 0 HD2 PHE A 12 8.975 -10.080 -6.511 1.00 1.55 H new ATOM 0 HE1 PHE A 12 7.115 -10.953 -11.026 1.00 3.37 H new ATOM 0 HE2 PHE A 12 10.489 -10.218 -8.470 1.00 2.59 H new ATOM 0 HZ PHE A 12 9.559 -10.654 -10.728 1.00 3.48 H new ATOM 177 N GLN A 13 3.560 -10.636 -5.443 1.00 0.58 N ATOM 178 CA GLN A 13 2.246 -11.294 -5.195 1.00 0.66 C ATOM 179 C GLN A 13 1.193 -10.242 -4.838 1.00 0.58 C ATOM 180 O GLN A 13 1.485 -9.249 -4.202 1.00 0.87 O ATOM 181 CB GLN A 13 2.490 -12.232 -4.013 1.00 0.82 C ATOM 182 CG GLN A 13 2.932 -13.602 -4.531 1.00 1.64 C ATOM 183 CD GLN A 13 2.973 -14.597 -3.371 1.00 2.19 C ATOM 184 OE1 GLN A 13 2.417 -14.347 -2.320 1.00 2.65 O ATOM 185 NE2 GLN A 13 3.614 -15.725 -3.517 1.00 2.89 N ATOM 0 H GLN A 13 4.235 -10.714 -4.682 1.00 0.58 H new ATOM 0 HA GLN A 13 1.878 -11.830 -6.070 1.00 0.66 H new ATOM 0 HB2 GLN A 13 3.254 -11.816 -3.357 1.00 0.82 H new ATOM 0 HB3 GLN A 13 1.581 -12.332 -3.420 1.00 0.82 H new ATOM 0 HG2 GLN A 13 2.243 -13.952 -5.300 1.00 1.64 H new ATOM 0 HG3 GLN A 13 3.916 -13.527 -4.995 1.00 1.64 H new ATOM 0 HE21 GLN A 13 4.081 -15.936 -4.399 1.00 2.89 H new ATOM 0 HE22 GLN A 13 3.648 -16.396 -2.749 1.00 2.89 H new ATOM 194 N TYR A 14 -0.030 -10.451 -5.241 1.00 0.41 N ATOM 195 CA TYR A 14 -1.096 -9.462 -4.925 1.00 0.38 C ATOM 196 C TYR A 14 -2.298 -10.163 -4.287 1.00 0.41 C ATOM 197 O TYR A 14 -2.910 -11.029 -4.879 1.00 0.59 O ATOM 198 CB TYR A 14 -1.480 -8.848 -6.272 1.00 0.47 C ATOM 199 CG TYR A 14 -0.252 -8.256 -6.923 1.00 0.46 C ATOM 200 CD1 TYR A 14 0.564 -7.375 -6.204 1.00 0.43 C ATOM 201 CD2 TYR A 14 0.071 -8.590 -8.243 1.00 0.67 C ATOM 202 CE1 TYR A 14 1.704 -6.827 -6.806 1.00 0.49 C ATOM 203 CE2 TYR A 14 1.211 -8.042 -8.845 1.00 0.71 C ATOM 204 CZ TYR A 14 2.027 -7.161 -8.126 1.00 0.57 C ATOM 205 OH TYR A 14 3.150 -6.621 -8.719 1.00 0.67 O ATOM 0 H TYR A 14 -0.336 -11.264 -5.775 1.00 0.41 H new ATOM 0 HA TYR A 14 -0.760 -8.706 -4.216 1.00 0.38 H new ATOM 0 HB2 TYR A 14 -1.917 -9.608 -6.919 1.00 0.47 H new ATOM 0 HB3 TYR A 14 -2.237 -8.077 -6.130 1.00 0.47 H new ATOM 0 HD1 TYR A 14 0.315 -7.118 -5.185 1.00 0.43 H new ATOM 0 HD2 TYR A 14 -0.559 -9.270 -8.798 1.00 0.67 H new ATOM 0 HE1 TYR A 14 2.334 -6.147 -6.251 1.00 0.49 H new ATOM 0 HE2 TYR A 14 1.460 -8.299 -9.864 1.00 0.71 H new ATOM 0 HH TYR A 14 3.830 -6.447 -8.035 1.00 0.67 H new ATOM 215 N SER A 15 -2.640 -9.795 -3.082 1.00 0.36 N ATOM 216 CA SER A 15 -3.800 -10.440 -2.405 1.00 0.44 C ATOM 217 C SER A 15 -5.114 -9.855 -2.929 1.00 0.51 C ATOM 218 O SER A 15 -5.224 -8.669 -3.171 1.00 1.29 O ATOM 219 CB SER A 15 -3.622 -10.114 -0.923 1.00 0.52 C ATOM 220 OG SER A 15 -3.361 -11.314 -0.207 1.00 1.59 O ATOM 0 H SER A 15 -2.165 -9.075 -2.537 1.00 0.36 H new ATOM 0 HA SER A 15 -3.838 -11.514 -2.586 1.00 0.44 H new ATOM 0 HB2 SER A 15 -2.800 -9.411 -0.790 1.00 0.52 H new ATOM 0 HB3 SER A 15 -4.519 -9.633 -0.534 1.00 0.52 H new ATOM 0 HG SER A 15 -3.244 -11.109 0.744 1.00 1.59 H new ATOM 226 N HIS A 16 -6.111 -10.677 -3.105 1.00 0.67 N ATOM 227 CA HIS A 16 -7.418 -10.169 -3.611 1.00 0.65 C ATOM 228 C HIS A 16 -8.498 -10.334 -2.539 1.00 0.59 C ATOM 229 O HIS A 16 -9.342 -11.204 -2.623 1.00 0.71 O ATOM 230 CB HIS A 16 -7.734 -11.035 -4.831 1.00 0.84 C ATOM 231 CG HIS A 16 -8.485 -10.216 -5.845 1.00 1.46 C ATOM 232 ND1 HIS A 16 -9.868 -10.240 -5.937 1.00 2.41 N ATOM 233 CD2 HIS A 16 -8.060 -9.345 -6.817 1.00 2.35 C ATOM 234 CE1 HIS A 16 -10.222 -9.406 -6.931 1.00 3.26 C ATOM 235 NE2 HIS A 16 -9.158 -8.834 -7.502 1.00 3.30 N ATOM 0 H HIS A 16 -6.078 -11.680 -2.920 1.00 0.67 H new ATOM 0 HA HIS A 16 -7.381 -9.109 -3.864 1.00 0.65 H new ATOM 0 HB2 HIS A 16 -6.812 -11.418 -5.268 1.00 0.84 H new ATOM 0 HB3 HIS A 16 -8.328 -11.899 -4.533 1.00 0.84 H new ATOM 0 HD1 HIS A 16 -10.502 -10.790 -5.357 1.00 2.41 H new ATOM 0 HD2 HIS A 16 -7.029 -9.094 -7.019 1.00 2.35 H new ATOM 0 HE1 HIS A 16 -11.243 -9.221 -7.231 1.00 3.26 H new ATOM 243 N LYS A 17 -8.478 -9.505 -1.531 1.00 0.59 N ATOM 244 CA LYS A 17 -9.503 -9.616 -0.454 1.00 0.57 C ATOM 245 C LYS A 17 -9.444 -8.387 0.463 1.00 0.50 C ATOM 246 O LYS A 17 -8.390 -7.816 0.660 1.00 0.49 O ATOM 247 CB LYS A 17 -9.129 -10.881 0.319 1.00 0.63 C ATOM 248 CG LYS A 17 -10.016 -12.041 -0.138 1.00 1.43 C ATOM 249 CD LYS A 17 -10.837 -12.553 1.048 1.00 1.90 C ATOM 250 CE LYS A 17 -11.970 -13.447 0.539 1.00 2.29 C ATOM 251 NZ LYS A 17 -13.206 -12.888 1.155 1.00 3.07 N ATOM 0 H LYS A 17 -7.797 -8.756 -1.407 1.00 0.59 H new ATOM 0 HA LYS A 17 -10.517 -9.666 -0.852 1.00 0.57 H new ATOM 0 HB2 LYS A 17 -8.080 -11.124 0.153 1.00 0.63 H new ATOM 0 HB3 LYS A 17 -9.252 -10.715 1.389 1.00 0.63 H new ATOM 0 HG2 LYS A 17 -10.679 -11.712 -0.938 1.00 1.43 H new ATOM 0 HG3 LYS A 17 -9.402 -12.845 -0.543 1.00 1.43 H new ATOM 0 HD2 LYS A 17 -10.198 -13.112 1.732 1.00 1.90 H new ATOM 0 HD3 LYS A 17 -11.247 -11.713 1.609 1.00 1.90 H new ATOM 0 HE2 LYS A 17 -12.028 -13.430 -0.549 1.00 2.29 H new ATOM 0 HE3 LYS A 17 -11.817 -14.485 0.833 1.00 2.29 H new ATOM 0 HZ1 LYS A 17 -14.028 -13.448 0.853 1.00 3.07 H new ATOM 0 HZ2 LYS A 17 -13.124 -12.924 2.191 1.00 3.07 H new ATOM 0 HZ3 LYS A 17 -13.329 -11.901 0.851 1.00 3.07 H new ATOM 265 N PRO A 18 -10.584 -8.017 0.997 1.00 0.53 N ATOM 266 CA PRO A 18 -10.648 -6.843 1.900 1.00 0.52 C ATOM 267 C PRO A 18 -10.031 -7.180 3.260 1.00 0.48 C ATOM 268 O PRO A 18 -10.580 -7.942 4.031 1.00 0.51 O ATOM 269 CB PRO A 18 -12.144 -6.574 2.036 1.00 0.62 C ATOM 270 CG PRO A 18 -12.803 -7.886 1.754 1.00 0.67 C ATOM 271 CD PRO A 18 -11.900 -8.645 0.816 1.00 0.62 C ATOM 0 HA PRO A 18 -10.098 -5.982 1.521 1.00 0.52 H new ATOM 0 HB2 PRO A 18 -12.391 -6.216 3.035 1.00 0.62 H new ATOM 0 HB3 PRO A 18 -12.472 -5.809 1.333 1.00 0.62 H new ATOM 0 HG2 PRO A 18 -12.957 -8.445 2.677 1.00 0.67 H new ATOM 0 HG3 PRO A 18 -13.785 -7.735 1.305 1.00 0.67 H new ATOM 0 HD2 PRO A 18 -11.872 -9.707 1.062 1.00 0.62 H new ATOM 0 HD3 PRO A 18 -12.241 -8.566 -0.216 1.00 0.62 H new ATOM 279 N LEU A 19 -8.895 -6.616 3.560 1.00 0.43 N ATOM 280 CA LEU A 19 -8.244 -6.900 4.870 1.00 0.41 C ATOM 281 C LEU A 19 -9.053 -6.263 6.006 1.00 0.39 C ATOM 282 O LEU A 19 -9.674 -5.236 5.816 1.00 0.39 O ATOM 283 CB LEU A 19 -6.862 -6.253 4.769 1.00 0.40 C ATOM 284 CG LEU A 19 -5.812 -7.176 5.388 1.00 0.55 C ATOM 285 CD1 LEU A 19 -4.602 -7.269 4.457 1.00 0.94 C ATOM 286 CD2 LEU A 19 -5.371 -6.610 6.740 1.00 0.99 C ATOM 0 H LEU A 19 -8.388 -5.970 2.955 1.00 0.43 H new ATOM 0 HA LEU A 19 -8.181 -7.967 5.082 1.00 0.41 H new ATOM 0 HB2 LEU A 19 -6.617 -6.057 3.725 1.00 0.40 H new ATOM 0 HB3 LEU A 19 -6.862 -5.291 5.282 1.00 0.40 H new ATOM 0 HG LEU A 19 -6.239 -8.169 5.530 1.00 0.55 H new ATOM 0 HD11 LEU A 19 -3.853 -7.927 4.898 1.00 0.94 H new ATOM 0 HD12 LEU A 19 -4.915 -7.670 3.493 1.00 0.94 H new ATOM 0 HD13 LEU A 19 -4.175 -6.276 4.316 1.00 0.94 H new ATOM 0 HD21 LEU A 19 -4.622 -7.267 7.183 1.00 0.99 H new ATOM 0 HD22 LEU A 19 -4.944 -5.617 6.597 1.00 0.99 H new ATOM 0 HD23 LEU A 19 -6.232 -6.542 7.404 1.00 0.99 H new ATOM 298 N PRO A 20 -9.019 -6.888 7.157 1.00 0.39 N ATOM 299 CA PRO A 20 -9.762 -6.355 8.326 1.00 0.40 C ATOM 300 C PRO A 20 -9.117 -5.053 8.809 1.00 0.34 C ATOM 301 O PRO A 20 -8.030 -5.052 9.351 1.00 0.33 O ATOM 302 CB PRO A 20 -9.630 -7.461 9.371 1.00 0.46 C ATOM 303 CG PRO A 20 -8.394 -8.206 8.984 1.00 0.45 C ATOM 304 CD PRO A 20 -8.299 -8.127 7.483 1.00 0.42 C ATOM 0 HA PRO A 20 -10.802 -6.115 8.107 1.00 0.40 H new ATOM 0 HB2 PRO A 20 -9.544 -7.048 10.376 1.00 0.46 H new ATOM 0 HB3 PRO A 20 -10.503 -8.114 9.368 1.00 0.46 H new ATOM 0 HG2 PRO A 20 -7.513 -7.766 9.452 1.00 0.45 H new ATOM 0 HG3 PRO A 20 -8.446 -9.243 9.315 1.00 0.45 H new ATOM 0 HD2 PRO A 20 -7.262 -8.088 7.148 1.00 0.42 H new ATOM 0 HD3 PRO A 20 -8.756 -8.994 7.006 1.00 0.42 H new ATOM 312 N TRP A 21 -9.779 -3.944 8.608 1.00 0.34 N ATOM 313 CA TRP A 21 -9.210 -2.633 9.044 1.00 0.32 C ATOM 314 C TRP A 21 -8.677 -2.720 10.477 1.00 0.34 C ATOM 315 O TRP A 21 -7.779 -1.997 10.860 1.00 0.35 O ATOM 316 CB TRP A 21 -10.378 -1.652 8.960 1.00 0.36 C ATOM 317 CG TRP A 21 -10.725 -1.426 7.524 1.00 0.40 C ATOM 318 CD1 TRP A 21 -11.723 -2.052 6.858 1.00 0.47 C ATOM 319 CD2 TRP A 21 -10.093 -0.529 6.565 1.00 0.43 C ATOM 320 NE1 TRP A 21 -11.744 -1.596 5.553 1.00 0.52 N ATOM 321 CE2 TRP A 21 -10.758 -0.656 5.323 1.00 0.50 C ATOM 322 CE3 TRP A 21 -9.018 0.373 6.653 1.00 0.45 C ATOM 323 CZ2 TRP A 21 -10.371 0.086 4.207 1.00 0.57 C ATOM 324 CZ3 TRP A 21 -8.625 1.122 5.531 1.00 0.55 C ATOM 325 CH2 TRP A 21 -9.300 0.978 4.311 1.00 0.60 C ATOM 0 H TRP A 21 -10.693 -3.889 8.159 1.00 0.34 H new ATOM 0 HA TRP A 21 -8.369 -2.325 8.423 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -11.240 -2.047 9.497 1.00 0.36 H new ATOM 0 HB3 TRP A 21 -10.111 -0.708 9.435 1.00 0.36 H new ATOM 0 HD1 TRP A 21 -12.393 -2.788 7.277 1.00 0.47 H new ATOM 0 HE1 TRP A 21 -12.407 -1.915 4.846 1.00 0.52 H new ATOM 0 HE3 TRP A 21 -8.491 0.491 7.588 1.00 0.45 H new ATOM 0 HZ2 TRP A 21 -10.895 -0.028 3.270 1.00 0.57 H new ATOM 0 HZ3 TRP A 21 -7.798 1.812 5.609 1.00 0.55 H new ATOM 0 HH2 TRP A 21 -8.993 1.556 3.452 1.00 0.60 H new ATOM 336 N THR A 22 -9.215 -3.605 11.268 1.00 0.39 N ATOM 337 CA THR A 22 -8.726 -3.738 12.668 1.00 0.43 C ATOM 338 C THR A 22 -7.219 -4.005 12.665 1.00 0.39 C ATOM 339 O THR A 22 -6.497 -3.565 13.538 1.00 0.46 O ATOM 340 CB THR A 22 -9.482 -4.937 13.241 1.00 0.51 C ATOM 341 OG1 THR A 22 -9.589 -5.946 12.247 1.00 0.82 O ATOM 342 CG2 THR A 22 -10.880 -4.501 13.681 1.00 0.70 C ATOM 0 H THR A 22 -9.969 -4.240 11.007 1.00 0.39 H new ATOM 0 HA THR A 22 -8.894 -2.836 13.257 1.00 0.43 H new ATOM 0 HB THR A 22 -8.940 -5.330 14.102 1.00 0.51 H new ATOM 0 HG1 THR A 22 -10.491 -5.933 11.863 1.00 0.82 H new ATOM 0 HG21 THR A 22 -11.417 -5.358 14.089 1.00 0.70 H new ATOM 0 HG22 THR A 22 -10.796 -3.728 14.445 1.00 0.70 H new ATOM 0 HG23 THR A 22 -11.425 -4.106 12.823 1.00 0.70 H new ATOM 350 N TRP A 23 -6.742 -4.722 11.684 1.00 0.33 N ATOM 351 CA TRP A 23 -5.287 -5.020 11.613 1.00 0.34 C ATOM 352 C TRP A 23 -4.621 -4.197 10.504 1.00 0.30 C ATOM 353 O TRP A 23 -3.460 -4.383 10.199 1.00 0.39 O ATOM 354 CB TRP A 23 -5.206 -6.517 11.292 1.00 0.38 C ATOM 355 CG TRP A 23 -5.271 -7.332 12.553 1.00 0.68 C ATOM 356 CD1 TRP A 23 -5.512 -6.848 13.798 1.00 0.78 C ATOM 357 CD2 TRP A 23 -5.098 -8.771 12.706 1.00 1.16 C ATOM 358 NE1 TRP A 23 -5.494 -7.897 14.698 1.00 1.26 N ATOM 359 CE2 TRP A 23 -5.243 -9.102 14.075 1.00 1.52 C ATOM 360 CE3 TRP A 23 -4.830 -9.811 11.798 1.00 1.35 C ATOM 361 CZ2 TRP A 23 -5.127 -10.418 14.525 1.00 2.04 C ATOM 362 CZ3 TRP A 23 -4.713 -11.137 12.248 1.00 1.89 C ATOM 363 CH2 TRP A 23 -4.861 -11.439 13.609 1.00 2.23 C ATOM 0 H TRP A 23 -7.301 -5.115 10.927 1.00 0.33 H new ATOM 0 HA TRP A 23 -4.772 -4.769 12.540 1.00 0.34 H new ATOM 0 HB2 TRP A 23 -6.024 -6.797 10.629 1.00 0.38 H new ATOM 0 HB3 TRP A 23 -4.278 -6.731 10.761 1.00 0.38 H new ATOM 0 HD1 TRP A 23 -5.689 -5.812 14.045 1.00 0.78 H new ATOM 0 HE1 TRP A 23 -5.648 -7.793 15.701 1.00 1.26 H new ATOM 0 HE3 TRP A 23 -4.713 -9.589 10.748 1.00 1.35 H new ATOM 0 HZ2 TRP A 23 -5.242 -10.646 15.574 1.00 2.04 H new ATOM 0 HZ3 TRP A 23 -4.508 -11.928 11.542 1.00 1.89 H new ATOM 0 HH2 TRP A 23 -4.769 -12.460 13.949 1.00 2.23 H new ATOM 374 N VAL A 24 -5.337 -3.286 9.899 1.00 0.25 N ATOM 375 CA VAL A 24 -4.722 -2.463 8.820 1.00 0.23 C ATOM 376 C VAL A 24 -4.174 -1.159 9.405 1.00 0.25 C ATOM 377 O VAL A 24 -4.711 -0.620 10.352 1.00 0.36 O ATOM 378 CB VAL A 24 -5.844 -2.175 7.824 1.00 0.24 C ATOM 379 CG1 VAL A 24 -5.271 -1.401 6.635 1.00 0.26 C ATOM 380 CG2 VAL A 24 -6.441 -3.494 7.328 1.00 0.27 C ATOM 0 H VAL A 24 -6.314 -3.078 10.104 1.00 0.25 H new ATOM 0 HA VAL A 24 -3.889 -2.978 8.341 1.00 0.23 H new ATOM 0 HB VAL A 24 -6.622 -1.586 8.310 1.00 0.24 H new ATOM 0 HG11 VAL A 24 -6.066 -1.192 5.920 1.00 0.26 H new ATOM 0 HG12 VAL A 24 -4.841 -0.462 6.985 1.00 0.26 H new ATOM 0 HG13 VAL A 24 -4.496 -1.997 6.152 1.00 0.26 H new ATOM 0 HG21 VAL A 24 -7.241 -3.287 6.618 1.00 0.27 H new ATOM 0 HG22 VAL A 24 -5.665 -4.083 6.839 1.00 0.27 H new ATOM 0 HG23 VAL A 24 -6.842 -4.053 8.174 1.00 0.27 H new ATOM 390 N ARG A 25 -3.108 -0.649 8.852 1.00 0.28 N ATOM 391 CA ARG A 25 -2.529 0.618 9.385 1.00 0.33 C ATOM 392 C ARG A 25 -2.420 1.666 8.275 1.00 0.30 C ATOM 393 O ARG A 25 -3.017 2.722 8.346 1.00 0.35 O ATOM 394 CB ARG A 25 -1.140 0.236 9.894 1.00 0.42 C ATOM 395 CG ARG A 25 -0.426 1.487 10.408 1.00 0.70 C ATOM 396 CD ARG A 25 0.200 1.193 11.773 1.00 1.06 C ATOM 397 NE ARG A 25 0.811 2.482 12.199 1.00 1.31 N ATOM 398 CZ ARG A 25 0.074 3.397 12.767 1.00 1.65 C ATOM 399 NH1 ARG A 25 -0.672 3.090 13.792 1.00 2.08 N ATOM 400 NH2 ARG A 25 0.082 4.619 12.308 1.00 2.20 N ATOM 0 H ARG A 25 -2.614 -1.053 8.056 1.00 0.28 H new ATOM 0 HA ARG A 25 -3.149 1.052 10.170 1.00 0.33 H new ATOM 0 HB2 ARG A 25 -1.223 -0.502 10.692 1.00 0.42 H new ATOM 0 HB3 ARG A 25 -0.561 -0.224 9.093 1.00 0.42 H new ATOM 0 HG2 ARG A 25 0.345 1.795 9.701 1.00 0.70 H new ATOM 0 HG3 ARG A 25 -1.132 2.314 10.490 1.00 0.70 H new ATOM 0 HD2 ARG A 25 -0.551 0.856 12.488 1.00 1.06 H new ATOM 0 HD3 ARG A 25 0.949 0.405 11.703 1.00 1.06 H new ATOM 0 HE ARG A 25 1.806 2.650 12.047 1.00 1.31 H new ATOM 0 HH11 ARG A 25 -0.679 2.135 14.150 1.00 2.08 H new ATOM 0 HH12 ARG A 25 -1.248 3.805 14.236 1.00 2.08 H new ATOM 0 HH21 ARG A 25 0.664 4.859 11.505 1.00 2.20 H new ATOM 0 HH22 ARG A 25 -0.494 5.334 12.752 1.00 2.20 H new ATOM 414 N SER A 26 -1.660 1.387 7.252 1.00 0.30 N ATOM 415 CA SER A 26 -1.514 2.377 6.145 1.00 0.33 C ATOM 416 C SER A 26 -1.172 1.667 4.835 1.00 0.28 C ATOM 417 O SER A 26 -1.501 0.515 4.636 1.00 0.24 O ATOM 418 CB SER A 26 -0.363 3.286 6.574 1.00 0.42 C ATOM 419 OG SER A 26 0.873 2.651 6.277 1.00 0.46 O ATOM 0 H SER A 26 -1.135 0.520 7.134 1.00 0.30 H new ATOM 0 HA SER A 26 -2.434 2.935 5.972 1.00 0.33 H new ATOM 0 HB2 SER A 26 -0.427 4.243 6.055 1.00 0.42 H new ATOM 0 HB3 SER A 26 -0.429 3.497 7.641 1.00 0.42 H new ATOM 0 HG SER A 26 1.613 3.232 6.550 1.00 0.46 H new ATOM 425 N TYR A 27 -0.512 2.348 3.940 1.00 0.33 N ATOM 426 CA TYR A 27 -0.147 1.715 2.642 1.00 0.31 C ATOM 427 C TYR A 27 1.079 2.419 2.035 1.00 0.31 C ATOM 428 O TYR A 27 1.680 3.276 2.651 1.00 0.34 O ATOM 429 CB TYR A 27 -1.405 1.880 1.760 1.00 0.32 C ATOM 430 CG TYR A 27 -1.380 3.204 1.023 1.00 0.36 C ATOM 431 CD1 TYR A 27 -1.577 4.400 1.721 1.00 0.56 C ATOM 432 CD2 TYR A 27 -1.144 3.227 -0.356 1.00 0.49 C ATOM 433 CE1 TYR A 27 -1.540 5.621 1.038 1.00 0.73 C ATOM 434 CE2 TYR A 27 -1.105 4.447 -1.038 1.00 0.66 C ATOM 435 CZ TYR A 27 -1.303 5.645 -0.342 1.00 0.74 C ATOM 436 OH TYR A 27 -1.266 6.848 -1.016 1.00 0.96 O ATOM 0 H TYR A 27 -0.210 3.316 4.051 1.00 0.33 H new ATOM 0 HA TYR A 27 0.131 0.666 2.742 1.00 0.31 H new ATOM 0 HB2 TYR A 27 -1.461 1.061 1.043 1.00 0.32 H new ATOM 0 HB3 TYR A 27 -2.299 1.822 2.381 1.00 0.32 H new ATOM 0 HD1 TYR A 27 -1.757 4.381 2.786 1.00 0.56 H new ATOM 0 HD2 TYR A 27 -0.992 2.303 -0.893 1.00 0.49 H new ATOM 0 HE1 TYR A 27 -1.694 6.545 1.575 1.00 0.73 H new ATOM 0 HE2 TYR A 27 -0.922 4.465 -2.102 1.00 0.66 H new ATOM 0 HH TYR A 27 -1.090 6.685 -1.966 1.00 0.96 H new ATOM 446 N GLU A 28 1.436 2.074 0.826 1.00 0.29 N ATOM 447 CA GLU A 28 2.606 2.731 0.172 1.00 0.30 C ATOM 448 C GLU A 28 2.779 2.203 -1.255 1.00 0.29 C ATOM 449 O GLU A 28 2.657 1.021 -1.508 1.00 0.36 O ATOM 450 CB GLU A 28 3.818 2.354 1.029 1.00 0.34 C ATOM 451 CG GLU A 28 3.980 0.833 1.042 1.00 0.37 C ATOM 452 CD GLU A 28 5.008 0.437 2.103 1.00 0.70 C ATOM 453 OE1 GLU A 28 4.849 0.853 3.238 1.00 1.43 O ATOM 454 OE2 GLU A 28 5.936 -0.278 1.762 1.00 1.32 O ATOM 0 H GLU A 28 0.967 1.365 0.262 1.00 0.29 H new ATOM 0 HA GLU A 28 2.480 3.811 0.103 1.00 0.30 H new ATOM 0 HB2 GLU A 28 4.718 2.823 0.631 1.00 0.34 H new ATOM 0 HB3 GLU A 28 3.688 2.725 2.046 1.00 0.34 H new ATOM 0 HG2 GLU A 28 3.023 0.357 1.253 1.00 0.37 H new ATOM 0 HG3 GLU A 28 4.301 0.483 0.061 1.00 0.37 H new ATOM 461 N PHE A 29 3.064 3.068 -2.190 1.00 0.26 N ATOM 462 CA PHE A 29 3.247 2.609 -3.596 1.00 0.25 C ATOM 463 C PHE A 29 4.688 2.132 -3.808 1.00 0.28 C ATOM 464 O PHE A 29 5.611 2.630 -3.195 1.00 0.34 O ATOM 465 CB PHE A 29 2.955 3.838 -4.457 1.00 0.28 C ATOM 466 CG PHE A 29 2.115 3.434 -5.646 1.00 0.41 C ATOM 467 CD1 PHE A 29 2.642 2.573 -6.615 1.00 0.66 C ATOM 468 CD2 PHE A 29 0.809 3.922 -5.780 1.00 0.66 C ATOM 469 CE1 PHE A 29 1.865 2.200 -7.718 1.00 0.93 C ATOM 470 CE2 PHE A 29 0.032 3.549 -6.883 1.00 0.91 C ATOM 471 CZ PHE A 29 0.560 2.688 -7.852 1.00 0.99 C ATOM 0 H PHE A 29 3.178 4.071 -2.041 1.00 0.26 H new ATOM 0 HA PHE A 29 2.594 1.774 -3.848 1.00 0.25 H new ATOM 0 HB2 PHE A 29 2.432 4.591 -3.868 1.00 0.28 H new ATOM 0 HB3 PHE A 29 3.888 4.289 -4.794 1.00 0.28 H new ATOM 0 HD1 PHE A 29 3.649 2.196 -6.512 1.00 0.66 H new ATOM 0 HD2 PHE A 29 0.401 4.586 -5.032 1.00 0.66 H new ATOM 0 HE1 PHE A 29 2.272 1.536 -8.466 1.00 0.93 H new ATOM 0 HE2 PHE A 29 -0.975 3.926 -6.986 1.00 0.91 H new ATOM 0 HZ PHE A 29 -0.039 2.400 -8.703 1.00 0.99 H new ATOM 481 N THR A 30 4.886 1.170 -4.666 1.00 0.33 N ATOM 482 CA THR A 30 6.268 0.663 -4.910 1.00 0.38 C ATOM 483 C THR A 30 7.126 1.750 -5.563 1.00 0.44 C ATOM 484 O THR A 30 6.665 2.841 -5.830 1.00 0.47 O ATOM 485 CB THR A 30 6.094 -0.523 -5.859 1.00 0.39 C ATOM 486 OG1 THR A 30 5.019 -0.259 -6.750 1.00 0.41 O ATOM 487 CG2 THR A 30 5.792 -1.786 -5.050 1.00 0.47 C ATOM 0 H THR A 30 4.153 0.713 -5.208 1.00 0.33 H new ATOM 0 HA THR A 30 6.770 0.376 -3.986 1.00 0.38 H new ATOM 0 HB THR A 30 7.011 -0.671 -6.429 1.00 0.39 H new ATOM 0 HG1 THR A 30 5.328 0.329 -7.471 1.00 0.41 H new ATOM 0 HG21 THR A 30 5.668 -2.631 -5.727 1.00 0.47 H new ATOM 0 HG22 THR A 30 6.617 -1.987 -4.367 1.00 0.47 H new ATOM 0 HG23 THR A 30 4.875 -1.642 -4.479 1.00 0.47 H new ATOM 495 N SER A 31 8.372 1.459 -5.819 1.00 0.56 N ATOM 496 CA SER A 31 9.261 2.473 -6.452 1.00 0.67 C ATOM 497 C SER A 31 9.077 2.465 -7.972 1.00 0.66 C ATOM 498 O SER A 31 8.385 1.630 -8.519 1.00 0.66 O ATOM 499 CB SER A 31 10.679 2.041 -6.082 1.00 0.81 C ATOM 500 OG SER A 31 11.582 3.101 -6.368 1.00 1.73 O ATOM 0 H SER A 31 8.813 0.562 -5.617 1.00 0.56 H new ATOM 0 HA SER A 31 9.040 3.485 -6.112 1.00 0.67 H new ATOM 0 HB2 SER A 31 10.728 1.781 -5.025 1.00 0.81 H new ATOM 0 HB3 SER A 31 10.958 1.149 -6.643 1.00 0.81 H new ATOM 0 HG SER A 31 12.493 2.828 -6.130 1.00 1.73 H new ATOM 506 N ASN A 32 9.694 3.388 -8.657 1.00 0.75 N ATOM 507 CA ASN A 32 9.556 3.433 -10.141 1.00 0.82 C ATOM 508 C ASN A 32 10.577 2.497 -10.794 1.00 0.86 C ATOM 509 O ASN A 32 10.376 2.009 -11.889 1.00 1.32 O ATOM 510 CB ASN A 32 9.839 4.886 -10.523 1.00 0.96 C ATOM 511 CG ASN A 32 8.527 5.671 -10.553 1.00 1.89 C ATOM 512 OD1 ASN A 32 7.641 5.367 -11.327 1.00 2.68 O ATOM 513 ND2 ASN A 32 8.362 6.676 -9.737 1.00 2.52 N ATOM 0 H ASN A 32 10.288 4.113 -8.254 1.00 0.75 H new ATOM 0 HA ASN A 32 8.570 3.110 -10.474 1.00 0.82 H new ATOM 0 HB2 ASN A 32 10.527 5.334 -9.806 1.00 0.96 H new ATOM 0 HB3 ASN A 32 10.323 4.929 -11.499 1.00 0.96 H new ATOM 0 HD21 ASN A 32 7.490 7.205 -9.749 1.00 2.52 H new ATOM 0 HD22 ASN A 32 9.105 6.932 -9.087 1.00 2.52 H new ATOM 520 N SER A 33 11.672 2.242 -10.131 1.00 0.78 N ATOM 521 CA SER A 33 12.703 1.337 -10.714 1.00 0.81 C ATOM 522 C SER A 33 12.187 -0.104 -10.735 1.00 0.77 C ATOM 523 O SER A 33 12.616 -0.916 -11.531 1.00 1.10 O ATOM 524 CB SER A 33 13.911 1.461 -9.786 1.00 0.92 C ATOM 525 OG SER A 33 14.988 0.698 -10.313 1.00 1.66 O ATOM 0 H SER A 33 11.897 2.621 -9.211 1.00 0.78 H new ATOM 0 HA SER A 33 12.952 1.601 -11.742 1.00 0.81 H new ATOM 0 HB2 SER A 33 14.204 2.506 -9.689 1.00 0.92 H new ATOM 0 HB3 SER A 33 13.655 1.108 -8.787 1.00 0.92 H new ATOM 0 HG SER A 33 15.765 0.777 -9.721 1.00 1.66 H new ATOM 531 N CYS A 34 11.267 -0.427 -9.867 1.00 0.71 N ATOM 532 CA CYS A 34 10.724 -1.816 -9.840 1.00 0.71 C ATOM 533 C CYS A 34 10.166 -2.190 -11.215 1.00 0.79 C ATOM 534 O CYS A 34 9.667 -1.354 -11.942 1.00 0.98 O ATOM 535 CB CYS A 34 9.604 -1.786 -8.799 1.00 0.68 C ATOM 536 SG CYS A 34 10.306 -1.468 -7.161 1.00 0.98 S ATOM 0 H CYS A 34 10.868 0.209 -9.177 1.00 0.71 H new ATOM 0 HA CYS A 34 11.489 -2.553 -9.594 1.00 0.71 H new ATOM 0 HB2 CYS A 34 8.879 -1.012 -9.052 1.00 0.68 H new ATOM 0 HB3 CYS A 34 9.069 -2.736 -8.798 1.00 0.68 H new ATOM 541 N SER A 35 10.246 -3.441 -11.578 1.00 0.85 N ATOM 542 CA SER A 35 9.718 -3.867 -12.906 1.00 1.01 C ATOM 543 C SER A 35 8.203 -4.096 -12.838 1.00 0.84 C ATOM 544 O SER A 35 7.556 -4.307 -13.844 1.00 1.02 O ATOM 545 CB SER A 35 10.443 -5.175 -13.219 1.00 1.23 C ATOM 546 OG SER A 35 11.819 -4.905 -13.452 1.00 1.71 O ATOM 0 H SER A 35 10.654 -4.186 -11.013 1.00 0.85 H new ATOM 0 HA SER A 35 9.885 -3.111 -13.673 1.00 1.01 H new ATOM 0 HB2 SER A 35 10.333 -5.873 -12.389 1.00 1.23 H new ATOM 0 HB3 SER A 35 10.000 -5.649 -14.095 1.00 1.23 H new ATOM 0 HG SER A 35 12.287 -5.742 -13.651 1.00 1.71 H new ATOM 552 N GLN A 36 7.629 -4.058 -11.664 1.00 0.69 N ATOM 553 CA GLN A 36 6.158 -4.276 -11.550 1.00 0.72 C ATOM 554 C GLN A 36 5.552 -3.293 -10.545 1.00 0.62 C ATOM 555 O GLN A 36 5.488 -3.559 -9.361 1.00 0.88 O ATOM 556 CB GLN A 36 6.011 -5.713 -11.048 1.00 0.88 C ATOM 557 CG GLN A 36 4.764 -6.346 -11.669 1.00 1.48 C ATOM 558 CD GLN A 36 4.551 -7.740 -11.077 1.00 2.10 C ATOM 559 OE1 GLN A 36 5.463 -8.325 -10.527 1.00 2.74 O ATOM 560 NE2 GLN A 36 3.377 -8.302 -11.166 1.00 2.64 N ATOM 0 H GLN A 36 8.113 -3.886 -10.783 1.00 0.69 H new ATOM 0 HA GLN A 36 5.642 -4.118 -12.497 1.00 0.72 H new ATOM 0 HB2 GLN A 36 6.895 -6.293 -11.311 1.00 0.88 H new ATOM 0 HB3 GLN A 36 5.934 -5.724 -9.961 1.00 0.88 H new ATOM 0 HG2 GLN A 36 3.892 -5.721 -11.477 1.00 1.48 H new ATOM 0 HG3 GLN A 36 4.877 -6.412 -12.751 1.00 1.48 H new ATOM 0 HE21 GLN A 36 2.611 -7.812 -11.627 1.00 2.64 H new ATOM 0 HE22 GLN A 36 3.225 -9.231 -10.774 1.00 2.64 H new ATOM 569 N ARG A 37 5.103 -2.158 -11.008 1.00 0.55 N ATOM 570 CA ARG A 37 4.500 -1.160 -10.077 1.00 0.50 C ATOM 571 C ARG A 37 3.299 -1.774 -9.352 1.00 0.42 C ATOM 572 O ARG A 37 2.417 -2.343 -9.965 1.00 0.50 O ATOM 573 CB ARG A 37 4.053 -0.003 -10.971 1.00 0.66 C ATOM 574 CG ARG A 37 5.267 0.577 -11.701 1.00 1.40 C ATOM 575 CD ARG A 37 4.914 0.813 -13.171 1.00 1.78 C ATOM 576 NE ARG A 37 5.550 2.114 -13.514 1.00 2.38 N ATOM 577 CZ ARG A 37 4.856 3.041 -14.116 1.00 2.87 C ATOM 578 NH1 ARG A 37 4.739 3.028 -15.415 1.00 3.12 N ATOM 579 NH2 ARG A 37 4.279 3.981 -13.418 1.00 3.58 N ATOM 0 H ARG A 37 5.127 -1.878 -11.989 1.00 0.55 H new ATOM 0 HA ARG A 37 5.202 -0.833 -9.310 1.00 0.50 H new ATOM 0 HB2 ARG A 37 3.314 -0.351 -11.692 1.00 0.66 H new ATOM 0 HB3 ARG A 37 3.573 0.770 -10.371 1.00 0.66 H new ATOM 0 HG2 ARG A 37 5.572 1.514 -11.234 1.00 1.40 H new ATOM 0 HG3 ARG A 37 6.112 -0.107 -11.624 1.00 1.40 H new ATOM 0 HD2 ARG A 37 5.293 0.009 -13.802 1.00 1.78 H new ATOM 0 HD3 ARG A 37 3.834 0.850 -13.317 1.00 1.78 H new ATOM 0 HE ARG A 37 6.528 2.281 -13.279 1.00 2.38 H new ATOM 0 HH11 ARG A 37 5.190 2.293 -15.960 1.00 3.12 H new ATOM 0 HH12 ARG A 37 4.197 3.752 -15.885 1.00 3.12 H new ATOM 0 HH21 ARG A 37 4.371 3.991 -12.402 1.00 3.58 H new ATOM 0 HH22 ARG A 37 3.737 4.706 -13.888 1.00 3.58 H new ATOM 593 N ALA A 38 3.257 -1.663 -8.053 1.00 0.34 N ATOM 594 CA ALA A 38 2.114 -2.239 -7.292 1.00 0.32 C ATOM 595 C ALA A 38 1.925 -1.492 -5.968 1.00 0.32 C ATOM 596 O ALA A 38 2.867 -0.988 -5.390 1.00 0.47 O ATOM 597 CB ALA A 38 2.502 -3.696 -7.036 1.00 0.36 C ATOM 0 H ALA A 38 3.966 -1.198 -7.486 1.00 0.34 H new ATOM 0 HA ALA A 38 1.174 -2.157 -7.837 1.00 0.32 H new ATOM 0 HB1 ALA A 38 1.708 -4.191 -6.478 1.00 0.36 H new ATOM 0 HB2 ALA A 38 2.649 -4.206 -7.988 1.00 0.36 H new ATOM 0 HB3 ALA A 38 3.427 -3.730 -6.460 1.00 0.36 H new ATOM 603 N VAL A 39 0.716 -1.420 -5.482 1.00 0.29 N ATOM 604 CA VAL A 39 0.473 -0.708 -4.194 1.00 0.30 C ATOM 605 C VAL A 39 0.711 -1.658 -3.020 1.00 0.28 C ATOM 606 O VAL A 39 0.737 -2.861 -3.180 1.00 0.33 O ATOM 607 CB VAL A 39 -0.993 -0.279 -4.242 1.00 0.33 C ATOM 608 CG1 VAL A 39 -1.364 0.415 -2.930 1.00 0.40 C ATOM 609 CG2 VAL A 39 -1.204 0.689 -5.407 1.00 0.37 C ATOM 0 H VAL A 39 -0.113 -1.822 -5.920 1.00 0.29 H new ATOM 0 HA VAL A 39 1.140 0.144 -4.062 1.00 0.30 H new ATOM 0 HB VAL A 39 -1.624 -1.157 -4.381 1.00 0.33 H new ATOM 0 HG11 VAL A 39 -2.410 0.721 -2.963 1.00 0.40 H new ATOM 0 HG12 VAL A 39 -1.214 -0.274 -2.099 1.00 0.40 H new ATOM 0 HG13 VAL A 39 -0.733 1.293 -2.792 1.00 0.40 H new ATOM 0 HG21 VAL A 39 -2.250 0.995 -5.441 1.00 0.37 H new ATOM 0 HG22 VAL A 39 -0.573 1.567 -5.269 1.00 0.37 H new ATOM 0 HG23 VAL A 39 -0.940 0.196 -6.342 1.00 0.37 H new ATOM 619 N ILE A 40 0.888 -1.131 -1.841 1.00 0.29 N ATOM 620 CA ILE A 40 1.127 -2.007 -0.663 1.00 0.28 C ATOM 621 C ILE A 40 0.283 -1.528 0.526 1.00 0.29 C ATOM 622 O ILE A 40 0.175 -0.348 0.788 1.00 0.47 O ATOM 623 CB ILE A 40 2.624 -1.862 -0.373 1.00 0.33 C ATOM 624 CG1 ILE A 40 3.427 -2.572 -1.466 1.00 0.34 C ATOM 625 CG2 ILE A 40 2.961 -2.485 0.982 1.00 0.39 C ATOM 626 CD1 ILE A 40 4.793 -1.901 -1.613 1.00 0.39 C ATOM 0 H ILE A 40 0.877 -0.130 -1.643 1.00 0.29 H new ATOM 0 HA ILE A 40 0.849 -3.046 -0.842 1.00 0.28 H new ATOM 0 HB ILE A 40 2.879 -0.802 -0.354 1.00 0.33 H new ATOM 0 HG12 ILE A 40 3.553 -3.625 -1.214 1.00 0.34 H new ATOM 0 HG13 ILE A 40 2.887 -2.533 -2.412 1.00 0.34 H new ATOM 0 HG21 ILE A 40 4.028 -2.376 1.177 1.00 0.39 H new ATOM 0 HG22 ILE A 40 2.395 -1.980 1.765 1.00 0.39 H new ATOM 0 HG23 ILE A 40 2.701 -3.543 0.971 1.00 0.39 H new ATOM 0 HD11 ILE A 40 5.365 -2.406 -2.391 1.00 0.39 H new ATOM 0 HD12 ILE A 40 4.657 -0.854 -1.885 1.00 0.39 H new ATOM 0 HD13 ILE A 40 5.333 -1.963 -0.668 1.00 0.39 H new ATOM 638 N PHE A 41 -0.298 -2.441 1.254 1.00 0.24 N ATOM 639 CA PHE A 41 -1.119 -2.056 2.435 1.00 0.24 C ATOM 640 C PHE A 41 -0.429 -2.566 3.697 1.00 0.24 C ATOM 641 O PHE A 41 -0.112 -3.734 3.806 1.00 0.30 O ATOM 642 CB PHE A 41 -2.462 -2.764 2.244 1.00 0.25 C ATOM 643 CG PHE A 41 -3.238 -2.110 1.127 1.00 0.25 C ATOM 644 CD1 PHE A 41 -3.358 -0.716 1.076 1.00 0.27 C ATOM 645 CD2 PHE A 41 -3.845 -2.901 0.145 1.00 0.31 C ATOM 646 CE1 PHE A 41 -4.086 -0.115 0.042 1.00 0.32 C ATOM 647 CE2 PHE A 41 -4.571 -2.301 -0.888 1.00 0.37 C ATOM 648 CZ PHE A 41 -4.692 -0.908 -0.940 1.00 0.38 C ATOM 0 H PHE A 41 -0.238 -3.444 1.080 1.00 0.24 H new ATOM 0 HA PHE A 41 -1.248 -0.978 2.528 1.00 0.24 H new ATOM 0 HB2 PHE A 41 -2.298 -3.817 2.015 1.00 0.25 H new ATOM 0 HB3 PHE A 41 -3.038 -2.725 3.169 1.00 0.25 H new ATOM 0 HD1 PHE A 41 -2.890 -0.105 1.833 1.00 0.27 H new ATOM 0 HD2 PHE A 41 -3.752 -3.976 0.185 1.00 0.31 H new ATOM 0 HE1 PHE A 41 -4.180 0.960 0.002 1.00 0.32 H new ATOM 0 HE2 PHE A 41 -5.038 -2.912 -1.646 1.00 0.37 H new ATOM 0 HZ PHE A 41 -5.253 -0.444 -1.738 1.00 0.38 H new ATOM 658 N THR A 42 -0.170 -1.710 4.643 1.00 0.25 N ATOM 659 CA THR A 42 0.525 -2.172 5.873 1.00 0.26 C ATOM 660 C THR A 42 -0.478 -2.469 6.989 1.00 0.26 C ATOM 661 O THR A 42 -1.473 -1.789 7.145 1.00 0.25 O ATOM 662 CB THR A 42 1.459 -1.026 6.268 1.00 0.31 C ATOM 663 OG1 THR A 42 1.615 -0.119 5.183 1.00 1.29 O ATOM 664 CG2 THR A 42 2.821 -1.601 6.645 1.00 1.36 C ATOM 0 H THR A 42 -0.407 -0.718 4.619 1.00 0.25 H new ATOM 0 HA THR A 42 1.074 -3.098 5.702 1.00 0.26 H new ATOM 0 HB THR A 42 1.030 -0.491 7.115 1.00 0.31 H new ATOM 0 HG1 THR A 42 1.388 0.787 5.479 1.00 1.29 H new ATOM 0 HG21 THR A 42 3.493 -0.790 6.928 1.00 1.36 H new ATOM 0 HG22 THR A 42 2.707 -2.287 7.484 1.00 1.36 H new ATOM 0 HG23 THR A 42 3.238 -2.137 5.793 1.00 1.36 H new ATOM 672 N THR A 43 -0.219 -3.491 7.764 1.00 0.30 N ATOM 673 CA THR A 43 -1.150 -3.853 8.870 1.00 0.32 C ATOM 674 C THR A 43 -0.611 -3.365 10.218 1.00 0.35 C ATOM 675 O THR A 43 0.405 -2.703 10.292 1.00 0.42 O ATOM 676 CB THR A 43 -1.216 -5.381 8.842 1.00 0.34 C ATOM 677 OG1 THR A 43 0.096 -5.906 8.691 1.00 0.42 O ATOM 678 CG2 THR A 43 -2.087 -5.836 7.670 1.00 0.43 C ATOM 0 H THR A 43 0.601 -4.091 7.676 1.00 0.30 H new ATOM 0 HA THR A 43 -2.130 -3.394 8.744 1.00 0.32 H new ATOM 0 HB THR A 43 -1.649 -5.743 9.774 1.00 0.34 H new ATOM 0 HG1 THR A 43 0.057 -6.885 8.674 1.00 0.42 H new ATOM 0 HG21 THR A 43 -2.133 -6.925 7.652 1.00 0.43 H new ATOM 0 HG22 THR A 43 -3.093 -5.432 7.786 1.00 0.43 H new ATOM 0 HG23 THR A 43 -1.657 -5.475 6.736 1.00 0.43 H new ATOM 686 N LYS A 44 -1.292 -3.689 11.285 1.00 0.34 N ATOM 687 CA LYS A 44 -0.833 -3.249 12.634 1.00 0.38 C ATOM 688 C LYS A 44 0.290 -4.157 13.144 1.00 0.48 C ATOM 689 O LYS A 44 1.003 -3.817 14.068 1.00 0.64 O ATOM 690 CB LYS A 44 -2.066 -3.371 13.528 1.00 0.39 C ATOM 691 CG LYS A 44 -3.053 -2.251 13.194 1.00 0.61 C ATOM 692 CD LYS A 44 -3.507 -1.569 14.485 1.00 0.82 C ATOM 693 CE LYS A 44 -4.681 -0.636 14.183 1.00 0.86 C ATOM 694 NZ LYS A 44 -5.218 -0.249 15.518 1.00 1.44 N ATOM 0 H LYS A 44 -2.149 -4.241 11.280 1.00 0.34 H new ATOM 0 HA LYS A 44 -0.433 -2.235 12.620 1.00 0.38 H new ATOM 0 HB2 LYS A 44 -2.539 -4.342 13.382 1.00 0.39 H new ATOM 0 HB3 LYS A 44 -1.775 -3.312 14.577 1.00 0.39 H new ATOM 0 HG2 LYS A 44 -2.583 -1.524 12.532 1.00 0.61 H new ATOM 0 HG3 LYS A 44 -3.914 -2.657 12.663 1.00 0.61 H new ATOM 0 HD2 LYS A 44 -3.803 -2.318 15.220 1.00 0.82 H new ATOM 0 HD3 LYS A 44 -2.682 -1.004 14.920 1.00 0.82 H new ATOM 0 HE2 LYS A 44 -4.356 0.239 13.620 1.00 0.86 H new ATOM 0 HE3 LYS A 44 -5.440 -1.138 13.582 1.00 0.86 H new ATOM 0 HZ1 LYS A 44 -6.027 0.392 15.394 1.00 1.44 H new ATOM 0 HZ2 LYS A 44 -5.526 -1.101 16.029 1.00 1.44 H new ATOM 0 HZ3 LYS A 44 -4.476 0.233 16.065 1.00 1.44 H new ATOM 708 N ARG A 45 0.455 -5.310 12.554 1.00 0.47 N ATOM 709 CA ARG A 45 1.533 -6.233 13.012 1.00 0.59 C ATOM 710 C ARG A 45 2.890 -5.797 12.445 1.00 0.62 C ATOM 711 O ARG A 45 3.926 -6.276 12.861 1.00 0.83 O ATOM 712 CB ARG A 45 1.139 -7.603 12.459 1.00 0.66 C ATOM 713 CG ARG A 45 1.965 -8.691 13.148 1.00 1.04 C ATOM 714 CD ARG A 45 1.055 -9.863 13.520 1.00 1.43 C ATOM 715 NE ARG A 45 1.194 -10.006 14.996 1.00 2.01 N ATOM 716 CZ ARG A 45 1.814 -11.039 15.497 1.00 2.68 C ATOM 717 NH1 ARG A 45 1.568 -12.234 15.034 1.00 3.13 N ATOM 718 NH2 ARG A 45 2.679 -10.878 16.460 1.00 3.35 N ATOM 0 H ARG A 45 -0.109 -5.652 11.776 1.00 0.47 H new ATOM 0 HA ARG A 45 1.633 -6.241 14.097 1.00 0.59 H new ATOM 0 HB2 ARG A 45 0.076 -7.781 12.623 1.00 0.66 H new ATOM 0 HB3 ARG A 45 1.305 -7.633 11.382 1.00 0.66 H new ATOM 0 HG2 ARG A 45 2.762 -9.031 12.487 1.00 1.04 H new ATOM 0 HG3 ARG A 45 2.442 -8.289 14.042 1.00 1.04 H new ATOM 0 HD2 ARG A 45 0.021 -9.664 13.238 1.00 1.43 H new ATOM 0 HD3 ARG A 45 1.356 -10.775 13.005 1.00 1.43 H new ATOM 0 HE ARG A 45 0.804 -9.296 15.616 1.00 2.01 H new ATOM 0 HH11 ARG A 45 0.892 -12.360 14.281 1.00 3.13 H new ATOM 0 HH12 ARG A 45 2.052 -13.042 15.425 1.00 3.13 H new ATOM 0 HH21 ARG A 45 2.871 -9.944 16.822 1.00 3.35 H new ATOM 0 HH22 ARG A 45 3.163 -11.686 16.851 1.00 3.35 H new ATOM 732 N GLY A 46 2.894 -4.895 11.501 1.00 0.55 N ATOM 733 CA GLY A 46 4.185 -4.437 10.914 1.00 0.64 C ATOM 734 C GLY A 46 4.475 -5.213 9.625 1.00 0.68 C ATOM 735 O GLY A 46 5.567 -5.163 9.096 1.00 0.89 O ATOM 0 H GLY A 46 2.060 -4.456 11.111 1.00 0.55 H new ATOM 0 HA2 GLY A 46 4.140 -3.368 10.703 1.00 0.64 H new ATOM 0 HA3 GLY A 46 4.994 -4.587 11.629 1.00 0.64 H new ATOM 739 N LYS A 47 3.508 -5.928 9.111 1.00 0.58 N ATOM 740 CA LYS A 47 3.737 -6.699 7.860 1.00 0.66 C ATOM 741 C LYS A 47 3.125 -5.959 6.668 1.00 0.55 C ATOM 742 O LYS A 47 1.920 -5.862 6.538 1.00 0.69 O ATOM 743 CB LYS A 47 3.030 -8.035 8.085 1.00 0.75 C ATOM 744 CG LYS A 47 3.657 -9.103 7.187 1.00 1.08 C ATOM 745 CD LYS A 47 2.791 -10.363 7.214 1.00 1.43 C ATOM 746 CE LYS A 47 3.242 -11.317 6.105 1.00 1.92 C ATOM 747 NZ LYS A 47 4.276 -12.182 6.738 1.00 2.36 N ATOM 0 H LYS A 47 2.571 -6.009 9.506 1.00 0.58 H new ATOM 0 HA LYS A 47 4.797 -6.832 7.641 1.00 0.66 H new ATOM 0 HB2 LYS A 47 3.112 -8.330 9.131 1.00 0.75 H new ATOM 0 HB3 LYS A 47 1.967 -7.938 7.864 1.00 0.75 H new ATOM 0 HG2 LYS A 47 3.744 -8.730 6.166 1.00 1.08 H new ATOM 0 HG3 LYS A 47 4.666 -9.335 7.529 1.00 1.08 H new ATOM 0 HD2 LYS A 47 2.873 -10.852 8.185 1.00 1.43 H new ATOM 0 HD3 LYS A 47 1.742 -10.099 7.077 1.00 1.43 H new ATOM 0 HE2 LYS A 47 2.407 -11.909 5.730 1.00 1.92 H new ATOM 0 HE3 LYS A 47 3.651 -10.770 5.256 1.00 1.92 H new ATOM 0 HZ1 LYS A 47 4.634 -12.864 6.039 1.00 2.36 H new ATOM 0 HZ2 LYS A 47 5.061 -11.591 7.079 1.00 2.36 H new ATOM 0 HZ3 LYS A 47 3.856 -12.696 7.539 1.00 2.36 H new ATOM 761 N LYS A 48 3.943 -5.432 5.800 1.00 0.50 N ATOM 762 CA LYS A 48 3.403 -4.694 4.619 1.00 0.42 C ATOM 763 C LYS A 48 2.970 -5.688 3.537 1.00 0.41 C ATOM 764 O LYS A 48 3.721 -6.561 3.148 1.00 0.53 O ATOM 765 CB LYS A 48 4.555 -3.815 4.106 1.00 0.50 C ATOM 766 CG LYS A 48 5.287 -3.144 5.276 1.00 1.07 C ATOM 767 CD LYS A 48 5.658 -1.711 4.892 1.00 1.01 C ATOM 768 CE LYS A 48 7.023 -1.706 4.203 1.00 1.27 C ATOM 769 NZ LYS A 48 8.011 -1.831 5.311 1.00 1.60 N ATOM 0 H LYS A 48 4.960 -5.479 5.855 1.00 0.50 H new ATOM 0 HA LYS A 48 2.532 -4.093 4.881 1.00 0.42 H new ATOM 0 HB2 LYS A 48 5.255 -4.423 3.533 1.00 0.50 H new ATOM 0 HB3 LYS A 48 4.165 -3.054 3.430 1.00 0.50 H new ATOM 0 HG2 LYS A 48 4.652 -3.141 6.162 1.00 1.07 H new ATOM 0 HG3 LYS A 48 6.185 -3.708 5.528 1.00 1.07 H new ATOM 0 HD2 LYS A 48 4.902 -1.294 4.227 1.00 1.01 H new ATOM 0 HD3 LYS A 48 5.685 -1.080 5.781 1.00 1.01 H new ATOM 0 HE2 LYS A 48 7.113 -2.533 3.498 1.00 1.27 H new ATOM 0 HE3 LYS A 48 7.177 -0.787 3.638 1.00 1.27 H new ATOM 0 HZ1 LYS A 48 8.921 -1.425 5.013 1.00 1.60 H new ATOM 0 HZ2 LYS A 48 7.661 -1.321 6.147 1.00 1.60 H new ATOM 0 HZ3 LYS A 48 8.142 -2.835 5.548 1.00 1.60 H new ATOM 783 N VAL A 49 1.765 -5.567 3.051 1.00 0.35 N ATOM 784 CA VAL A 49 1.288 -6.512 1.997 1.00 0.37 C ATOM 785 C VAL A 49 1.216 -5.807 0.639 1.00 0.33 C ATOM 786 O VAL A 49 0.752 -4.690 0.533 1.00 0.37 O ATOM 787 CB VAL A 49 -0.108 -6.938 2.450 1.00 0.41 C ATOM 788 CG1 VAL A 49 -0.688 -7.937 1.447 1.00 0.47 C ATOM 789 CG2 VAL A 49 -0.019 -7.597 3.829 1.00 0.46 C ATOM 0 H VAL A 49 1.090 -4.857 3.336 1.00 0.35 H new ATOM 0 HA VAL A 49 1.958 -7.363 1.876 1.00 0.37 H new ATOM 0 HB VAL A 49 -0.753 -6.061 2.506 1.00 0.41 H new ATOM 0 HG11 VAL A 49 -1.684 -8.241 1.770 1.00 0.47 H new ATOM 0 HG12 VAL A 49 -0.752 -7.470 0.464 1.00 0.47 H new ATOM 0 HG13 VAL A 49 -0.042 -8.813 1.391 1.00 0.47 H new ATOM 0 HG21 VAL A 49 -1.015 -7.901 4.152 1.00 0.46 H new ATOM 0 HG22 VAL A 49 0.627 -8.473 3.773 1.00 0.46 H new ATOM 0 HG23 VAL A 49 0.394 -6.887 4.546 1.00 0.46 H new ATOM 799 N CYS A 50 1.669 -6.452 -0.402 1.00 0.30 N ATOM 800 CA CYS A 50 1.624 -5.818 -1.751 1.00 0.28 C ATOM 801 C CYS A 50 0.258 -6.053 -2.405 1.00 0.27 C ATOM 802 O CYS A 50 -0.456 -6.974 -2.060 1.00 0.30 O ATOM 803 CB CYS A 50 2.727 -6.514 -2.548 1.00 0.32 C ATOM 804 SG CYS A 50 4.344 -6.031 -1.894 1.00 0.42 S ATOM 0 H CYS A 50 2.068 -7.390 -0.377 1.00 0.30 H new ATOM 0 HA CYS A 50 1.770 -4.739 -1.706 1.00 0.28 H new ATOM 0 HB2 CYS A 50 2.607 -7.596 -2.487 1.00 0.32 H new ATOM 0 HB3 CYS A 50 2.654 -6.244 -3.602 1.00 0.32 H new ATOM 809 N THR A 51 -0.108 -5.227 -3.347 1.00 0.25 N ATOM 810 CA THR A 51 -1.426 -5.398 -4.026 1.00 0.25 C ATOM 811 C THR A 51 -1.409 -4.700 -5.389 1.00 0.27 C ATOM 812 O THR A 51 -0.458 -4.030 -5.741 1.00 0.42 O ATOM 813 CB THR A 51 -2.442 -4.733 -3.096 1.00 0.25 C ATOM 814 OG1 THR A 51 -1.878 -3.548 -2.552 1.00 0.33 O ATOM 815 CG2 THR A 51 -2.806 -5.694 -1.965 1.00 0.37 C ATOM 0 H THR A 51 0.450 -4.439 -3.677 1.00 0.25 H new ATOM 0 HA THR A 51 -1.666 -6.446 -4.206 1.00 0.25 H new ATOM 0 HB THR A 51 -3.341 -4.482 -3.659 1.00 0.25 H new ATOM 0 HG1 THR A 51 -2.466 -3.198 -1.850 1.00 0.33 H new ATOM 0 HG21 THR A 51 -3.530 -5.219 -1.303 1.00 0.37 H new ATOM 0 HG22 THR A 51 -3.239 -6.602 -2.384 1.00 0.37 H new ATOM 0 HG23 THR A 51 -1.909 -5.947 -1.400 1.00 0.37 H new ATOM 823 N HIS A 52 -2.451 -4.851 -6.160 1.00 0.31 N ATOM 824 CA HIS A 52 -2.488 -4.198 -7.498 1.00 0.33 C ATOM 825 C HIS A 52 -3.308 -2.899 -7.437 1.00 0.30 C ATOM 826 O HIS A 52 -4.375 -2.875 -6.858 1.00 0.29 O ATOM 827 CB HIS A 52 -3.167 -5.215 -8.416 1.00 0.37 C ATOM 828 CG HIS A 52 -2.142 -5.848 -9.317 1.00 0.59 C ATOM 829 ND1 HIS A 52 -2.365 -7.060 -9.951 1.00 1.17 N ATOM 830 CD2 HIS A 52 -0.885 -5.450 -9.699 1.00 1.50 C ATOM 831 CE1 HIS A 52 -1.268 -7.347 -10.675 1.00 1.14 C ATOM 832 NE2 HIS A 52 -0.334 -6.398 -10.557 1.00 1.39 N ATOM 0 H HIS A 52 -3.278 -5.398 -5.921 1.00 0.31 H new ATOM 0 HA HIS A 52 -1.493 -3.928 -7.851 1.00 0.33 H new ATOM 0 HB2 HIS A 52 -3.665 -5.981 -7.821 1.00 0.37 H new ATOM 0 HB3 HIS A 52 -3.936 -4.724 -9.012 1.00 0.37 H new ATOM 0 HD2 HIS A 52 -0.398 -4.540 -9.382 1.00 1.50 H new ATOM 0 HE1 HIS A 52 -1.156 -8.236 -11.278 1.00 1.14 H new ATOM 0 HE2 HIS A 52 0.584 -6.374 -11.000 1.00 1.39 H new ATOM 840 N PRO A 53 -2.788 -1.858 -8.041 1.00 0.34 N ATOM 841 CA PRO A 53 -3.501 -0.556 -8.047 1.00 0.36 C ATOM 842 C PRO A 53 -4.695 -0.610 -9.004 1.00 0.37 C ATOM 843 O PRO A 53 -5.629 0.159 -8.893 1.00 0.43 O ATOM 844 CB PRO A 53 -2.450 0.429 -8.550 1.00 0.45 C ATOM 845 CG PRO A 53 -1.492 -0.398 -9.347 1.00 0.47 C ATOM 846 CD PRO A 53 -1.511 -1.787 -8.764 1.00 0.43 C ATOM 0 HA PRO A 53 -3.901 -0.282 -7.071 1.00 0.36 H new ATOM 0 HB2 PRO A 53 -2.902 1.209 -9.163 1.00 0.45 H new ATOM 0 HB3 PRO A 53 -1.947 0.926 -7.721 1.00 0.45 H new ATOM 0 HG2 PRO A 53 -1.782 -0.418 -10.397 1.00 0.47 H new ATOM 0 HG3 PRO A 53 -0.488 0.025 -9.301 1.00 0.47 H new ATOM 0 HD2 PRO A 53 -1.452 -2.547 -9.543 1.00 0.43 H new ATOM 0 HD3 PRO A 53 -0.666 -1.950 -8.096 1.00 0.43 H new ATOM 854 N ARG A 54 -4.669 -1.511 -9.948 1.00 0.38 N ATOM 855 CA ARG A 54 -5.799 -1.613 -10.916 1.00 0.42 C ATOM 856 C ARG A 54 -7.084 -2.032 -10.196 1.00 0.39 C ATOM 857 O ARG A 54 -8.122 -1.421 -10.353 1.00 0.49 O ATOM 858 CB ARG A 54 -5.368 -2.689 -11.913 1.00 0.48 C ATOM 859 CG ARG A 54 -6.186 -2.552 -13.198 1.00 1.05 C ATOM 860 CD ARG A 54 -6.070 -3.839 -14.019 1.00 1.65 C ATOM 861 NE ARG A 54 -6.565 -3.475 -15.375 1.00 1.96 N ATOM 862 CZ ARG A 54 -6.513 -4.347 -16.345 1.00 2.73 C ATOM 863 NH1 ARG A 54 -7.147 -5.483 -16.236 1.00 3.26 N ATOM 864 NH2 ARG A 54 -5.827 -4.084 -17.423 1.00 3.35 N ATOM 0 H ARG A 54 -3.914 -2.181 -10.091 1.00 0.38 H new ATOM 0 HA ARG A 54 -6.009 -0.662 -11.405 1.00 0.42 H new ATOM 0 HB2 ARG A 54 -4.305 -2.590 -12.134 1.00 0.48 H new ATOM 0 HB3 ARG A 54 -5.513 -3.679 -11.481 1.00 0.48 H new ATOM 0 HG2 ARG A 54 -7.231 -2.355 -12.957 1.00 1.05 H new ATOM 0 HG3 ARG A 54 -5.828 -1.703 -13.781 1.00 1.05 H new ATOM 0 HD2 ARG A 54 -5.039 -4.192 -14.056 1.00 1.65 H new ATOM 0 HD3 ARG A 54 -6.666 -4.641 -13.583 1.00 1.65 H new ATOM 0 HE ARG A 54 -6.945 -2.544 -15.546 1.00 1.96 H new ATOM 0 HH11 ARG A 54 -7.683 -5.689 -15.393 1.00 3.26 H new ATOM 0 HH12 ARG A 54 -7.106 -6.164 -16.994 1.00 3.26 H new ATOM 0 HH21 ARG A 54 -5.331 -3.197 -17.508 1.00 3.35 H new ATOM 0 HH22 ARG A 54 -5.787 -4.766 -18.181 1.00 3.35 H new ATOM 878 N LYS A 55 -7.024 -3.074 -9.409 1.00 0.35 N ATOM 879 CA LYS A 55 -8.245 -3.535 -8.682 1.00 0.35 C ATOM 880 C LYS A 55 -8.911 -2.363 -7.954 1.00 0.35 C ATOM 881 O LYS A 55 -8.296 -1.682 -7.156 1.00 0.35 O ATOM 882 CB LYS A 55 -7.740 -4.577 -7.684 1.00 0.36 C ATOM 883 CG LYS A 55 -8.072 -5.980 -8.200 1.00 0.66 C ATOM 884 CD LYS A 55 -6.970 -6.449 -9.153 1.00 0.83 C ATOM 885 CE LYS A 55 -7.283 -5.975 -10.576 1.00 1.34 C ATOM 886 NZ LYS A 55 -8.236 -6.983 -11.119 1.00 1.90 N ATOM 0 H LYS A 55 -6.183 -3.626 -9.238 1.00 0.35 H new ATOM 0 HA LYS A 55 -8.995 -3.947 -9.357 1.00 0.35 H new ATOM 0 HB2 LYS A 55 -6.664 -4.473 -7.547 1.00 0.36 H new ATOM 0 HB3 LYS A 55 -8.202 -4.417 -6.710 1.00 0.36 H new ATOM 0 HG2 LYS A 55 -8.164 -6.674 -7.364 1.00 0.66 H new ATOM 0 HG3 LYS A 55 -9.033 -5.972 -8.715 1.00 0.66 H new ATOM 0 HD2 LYS A 55 -6.006 -6.055 -8.832 1.00 0.83 H new ATOM 0 HD3 LYS A 55 -6.894 -7.536 -9.130 1.00 0.83 H new ATOM 0 HE2 LYS A 55 -7.724 -4.978 -10.572 1.00 1.34 H new ATOM 0 HE3 LYS A 55 -6.378 -5.921 -11.182 1.00 1.34 H new ATOM 0 HZ1 LYS A 55 -8.879 -6.524 -11.796 1.00 1.90 H new ATOM 0 HZ2 LYS A 55 -7.706 -7.737 -11.601 1.00 1.90 H new ATOM 0 HZ3 LYS A 55 -8.789 -7.393 -10.340 1.00 1.90 H new ATOM 900 N LYS A 56 -10.164 -2.122 -8.230 1.00 0.42 N ATOM 901 CA LYS A 56 -10.875 -0.992 -7.565 1.00 0.48 C ATOM 902 C LYS A 56 -10.842 -1.150 -6.042 1.00 0.44 C ATOM 903 O LYS A 56 -10.661 -0.193 -5.317 1.00 0.49 O ATOM 904 CB LYS A 56 -12.312 -1.073 -8.082 1.00 0.58 C ATOM 905 CG LYS A 56 -12.391 -0.438 -9.472 1.00 1.37 C ATOM 906 CD LYS A 56 -13.363 0.743 -9.440 1.00 1.97 C ATOM 907 CE LYS A 56 -13.353 1.450 -10.797 1.00 2.64 C ATOM 908 NZ LYS A 56 -13.551 2.891 -10.479 1.00 3.07 N ATOM 0 H LYS A 56 -10.727 -2.660 -8.889 1.00 0.42 H new ATOM 0 HA LYS A 56 -10.411 -0.031 -7.786 1.00 0.48 H new ATOM 0 HB2 LYS A 56 -12.636 -2.113 -8.127 1.00 0.58 H new ATOM 0 HB3 LYS A 56 -12.986 -0.559 -7.397 1.00 0.58 H new ATOM 0 HG2 LYS A 56 -11.403 -0.101 -9.786 1.00 1.37 H new ATOM 0 HG3 LYS A 56 -12.723 -1.176 -10.202 1.00 1.37 H new ATOM 0 HD2 LYS A 56 -14.369 0.393 -9.208 1.00 1.97 H new ATOM 0 HD3 LYS A 56 -13.078 1.441 -8.652 1.00 1.97 H new ATOM 0 HE2 LYS A 56 -12.411 1.287 -11.321 1.00 2.64 H new ATOM 0 HE3 LYS A 56 -14.146 1.075 -11.444 1.00 2.64 H new ATOM 0 HZ1 LYS A 56 -13.556 3.443 -11.360 1.00 3.07 H new ATOM 0 HZ2 LYS A 56 -14.458 3.016 -9.987 1.00 3.07 H new ATOM 0 HZ3 LYS A 56 -12.777 3.221 -9.868 1.00 3.07 H new ATOM 922 N TRP A 57 -11.020 -2.345 -5.548 1.00 0.44 N ATOM 923 CA TRP A 57 -11.001 -2.542 -4.070 1.00 0.42 C ATOM 924 C TRP A 57 -9.708 -1.951 -3.477 1.00 0.35 C ATOM 925 O TRP A 57 -9.708 -1.380 -2.404 1.00 0.32 O ATOM 926 CB TRP A 57 -11.115 -4.074 -3.871 1.00 0.55 C ATOM 927 CG TRP A 57 -9.771 -4.708 -3.652 1.00 0.37 C ATOM 928 CD1 TRP A 57 -9.082 -5.417 -4.575 1.00 0.90 C ATOM 929 CD2 TRP A 57 -8.952 -4.696 -2.448 1.00 0.41 C ATOM 930 NE1 TRP A 57 -7.890 -5.840 -4.013 1.00 1.20 N ATOM 931 CE2 TRP A 57 -7.765 -5.419 -2.703 1.00 0.82 C ATOM 932 CE3 TRP A 57 -9.124 -4.131 -1.171 1.00 0.76 C ATOM 933 CZ2 TRP A 57 -6.782 -5.576 -1.726 1.00 0.96 C ATOM 934 CZ3 TRP A 57 -8.136 -4.288 -0.185 1.00 0.86 C ATOM 935 CH2 TRP A 57 -6.967 -5.009 -0.463 1.00 0.77 C ATOM 0 H TRP A 57 -11.177 -3.189 -6.099 1.00 0.44 H new ATOM 0 HA TRP A 57 -11.814 -2.031 -3.554 1.00 0.42 H new ATOM 0 HB2 TRP A 57 -11.759 -4.283 -3.017 1.00 0.55 H new ATOM 0 HB3 TRP A 57 -11.590 -4.520 -4.745 1.00 0.55 H new ATOM 0 HD1 TRP A 57 -9.408 -5.620 -5.584 1.00 0.90 H new ATOM 0 HE1 TRP A 57 -7.190 -6.395 -4.506 1.00 1.20 H new ATOM 0 HE3 TRP A 57 -10.021 -3.573 -0.947 1.00 0.76 H new ATOM 0 HZ2 TRP A 57 -5.883 -6.133 -1.945 1.00 0.96 H new ATOM 0 HZ3 TRP A 57 -8.278 -3.851 0.792 1.00 0.86 H new ATOM 0 HH2 TRP A 57 -6.210 -5.126 0.298 1.00 0.77 H new ATOM 946 N VAL A 58 -8.610 -2.082 -4.174 1.00 0.35 N ATOM 947 CA VAL A 58 -7.326 -1.526 -3.658 1.00 0.31 C ATOM 948 C VAL A 58 -7.383 0.002 -3.661 1.00 0.30 C ATOM 949 O VAL A 58 -6.935 0.652 -2.737 1.00 0.30 O ATOM 950 CB VAL A 58 -6.257 -2.020 -4.631 1.00 0.37 C ATOM 951 CG1 VAL A 58 -4.888 -1.494 -4.199 1.00 0.39 C ATOM 952 CG2 VAL A 58 -6.237 -3.549 -4.634 1.00 0.44 C ATOM 0 H VAL A 58 -8.548 -2.550 -5.078 1.00 0.35 H new ATOM 0 HA VAL A 58 -7.120 -1.841 -2.635 1.00 0.31 H new ATOM 0 HB VAL A 58 -6.485 -1.657 -5.633 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -4.127 -1.847 -4.894 1.00 0.39 H new ATOM 0 HG12 VAL A 58 -4.901 -0.404 -4.198 1.00 0.39 H new ATOM 0 HG13 VAL A 58 -4.659 -1.855 -3.196 1.00 0.39 H new ATOM 0 HG21 VAL A 58 -5.474 -3.902 -5.328 1.00 0.44 H new ATOM 0 HG22 VAL A 58 -6.011 -3.912 -3.631 1.00 0.44 H new ATOM 0 HG23 VAL A 58 -7.212 -3.925 -4.944 1.00 0.44 H new ATOM 962 N GLN A 59 -7.941 0.580 -4.689 1.00 0.32 N ATOM 963 CA GLN A 59 -8.038 2.063 -4.743 1.00 0.36 C ATOM 964 C GLN A 59 -8.889 2.544 -3.573 1.00 0.34 C ATOM 965 O GLN A 59 -8.711 3.631 -3.059 1.00 0.37 O ATOM 966 CB GLN A 59 -8.723 2.372 -6.075 1.00 0.43 C ATOM 967 CG GLN A 59 -7.881 1.812 -7.224 1.00 0.70 C ATOM 968 CD GLN A 59 -7.711 2.884 -8.302 1.00 1.35 C ATOM 969 OE1 GLN A 59 -7.301 3.991 -8.014 1.00 2.00 O ATOM 970 NE2 GLN A 59 -8.010 2.601 -9.540 1.00 1.95 N ATOM 0 H GLN A 59 -8.333 0.089 -5.492 1.00 0.32 H new ATOM 0 HA GLN A 59 -7.069 2.557 -4.674 1.00 0.36 H new ATOM 0 HB2 GLN A 59 -9.721 1.933 -6.094 1.00 0.43 H new ATOM 0 HB3 GLN A 59 -8.846 3.449 -6.192 1.00 0.43 H new ATOM 0 HG2 GLN A 59 -6.906 1.496 -6.854 1.00 0.70 H new ATOM 0 HG3 GLN A 59 -8.363 0.930 -7.646 1.00 0.70 H new ATOM 0 HE21 GLN A 59 -8.354 1.672 -9.782 1.00 1.95 H new ATOM 0 HE22 GLN A 59 -7.900 3.309 -10.266 1.00 1.95 H new ATOM 979 N LYS A 60 -9.808 1.726 -3.141 1.00 0.33 N ATOM 980 CA LYS A 60 -10.668 2.115 -1.996 1.00 0.34 C ATOM 981 C LYS A 60 -9.871 2.002 -0.697 1.00 0.29 C ATOM 982 O LYS A 60 -10.087 2.743 0.243 1.00 0.31 O ATOM 983 CB LYS A 60 -11.825 1.115 -2.008 1.00 0.38 C ATOM 984 CG LYS A 60 -13.035 1.739 -2.707 1.00 0.83 C ATOM 985 CD LYS A 60 -14.181 0.726 -2.749 1.00 1.38 C ATOM 986 CE LYS A 60 -14.936 0.864 -4.073 1.00 1.90 C ATOM 987 NZ LYS A 60 -16.366 0.630 -3.728 1.00 2.54 N ATOM 0 H LYS A 60 -9.999 0.804 -3.534 1.00 0.33 H new ATOM 0 HA LYS A 60 -11.025 3.142 -2.069 1.00 0.34 H new ATOM 0 HB2 LYS A 60 -11.525 0.203 -2.523 1.00 0.38 H new ATOM 0 HB3 LYS A 60 -12.087 0.834 -0.988 1.00 0.38 H new ATOM 0 HG2 LYS A 60 -13.350 2.638 -2.178 1.00 0.83 H new ATOM 0 HG3 LYS A 60 -12.767 2.042 -3.719 1.00 0.83 H new ATOM 0 HD2 LYS A 60 -13.790 -0.286 -2.645 1.00 1.38 H new ATOM 0 HD3 LYS A 60 -14.859 0.893 -1.912 1.00 1.38 H new ATOM 0 HE2 LYS A 60 -14.792 1.853 -4.508 1.00 1.90 H new ATOM 0 HE3 LYS A 60 -14.583 0.139 -4.806 1.00 1.90 H new ATOM 0 HZ1 LYS A 60 -16.948 0.708 -4.587 1.00 2.54 H new ATOM 0 HZ2 LYS A 60 -16.474 -0.321 -3.322 1.00 2.54 H new ATOM 0 HZ3 LYS A 60 -16.676 1.340 -3.034 1.00 2.54 H new ATOM 1001 N TYR A 61 -8.945 1.080 -0.636 1.00 0.26 N ATOM 1002 CA TYR A 61 -8.136 0.926 0.605 1.00 0.25 C ATOM 1003 C TYR A 61 -7.080 2.029 0.690 1.00 0.23 C ATOM 1004 O TYR A 61 -6.796 2.548 1.751 1.00 0.27 O ATOM 1005 CB TYR A 61 -7.477 -0.448 0.483 1.00 0.29 C ATOM 1006 CG TYR A 61 -8.277 -1.459 1.270 1.00 0.33 C ATOM 1007 CD1 TYR A 61 -9.574 -1.795 0.865 1.00 0.37 C ATOM 1008 CD2 TYR A 61 -7.720 -2.062 2.404 1.00 0.45 C ATOM 1009 CE1 TYR A 61 -10.314 -2.734 1.594 1.00 0.46 C ATOM 1010 CE2 TYR A 61 -8.460 -3.000 3.133 1.00 0.54 C ATOM 1011 CZ TYR A 61 -9.757 -3.337 2.728 1.00 0.52 C ATOM 1012 OH TYR A 61 -10.485 -4.263 3.447 1.00 0.63 O ATOM 0 H TYR A 61 -8.716 0.431 -1.389 1.00 0.26 H new ATOM 0 HA TYR A 61 -8.744 1.004 1.506 1.00 0.25 H new ATOM 0 HB2 TYR A 61 -7.423 -0.746 -0.564 1.00 0.29 H new ATOM 0 HB3 TYR A 61 -6.454 -0.407 0.856 1.00 0.29 H new ATOM 0 HD1 TYR A 61 -10.004 -1.330 -0.010 1.00 0.37 H new ATOM 0 HD2 TYR A 61 -6.719 -1.803 2.716 1.00 0.45 H new ATOM 0 HE1 TYR A 61 -11.315 -2.993 1.281 1.00 0.46 H new ATOM 0 HE2 TYR A 61 -8.030 -3.464 4.008 1.00 0.54 H new ATOM 0 HH TYR A 61 -10.028 -4.453 4.293 1.00 0.63 H new ATOM 1022 N ILE A 62 -6.500 2.397 -0.418 1.00 0.25 N ATOM 1023 CA ILE A 62 -5.468 3.474 -0.392 1.00 0.27 C ATOM 1024 C ILE A 62 -6.107 4.794 0.040 1.00 0.29 C ATOM 1025 O ILE A 62 -5.648 5.448 0.955 1.00 0.33 O ATOM 1026 CB ILE A 62 -4.952 3.577 -1.828 1.00 0.33 C ATOM 1027 CG1 ILE A 62 -4.346 2.239 -2.249 1.00 0.37 C ATOM 1028 CG2 ILE A 62 -3.880 4.664 -1.908 1.00 0.38 C ATOM 1029 CD1 ILE A 62 -4.299 2.158 -3.776 1.00 0.73 C ATOM 0 H ILE A 62 -6.694 2.001 -1.338 1.00 0.25 H new ATOM 0 HA ILE A 62 -4.663 3.256 0.310 1.00 0.27 H new ATOM 0 HB ILE A 62 -5.779 3.829 -2.492 1.00 0.33 H new ATOM 0 HG12 ILE A 62 -3.342 2.137 -1.838 1.00 0.37 H new ATOM 0 HG13 ILE A 62 -4.939 1.417 -1.849 1.00 0.37 H new ATOM 0 HG21 ILE A 62 -3.512 4.738 -2.931 1.00 0.38 H new ATOM 0 HG22 ILE A 62 -4.308 5.620 -1.607 1.00 0.38 H new ATOM 0 HG23 ILE A 62 -3.054 4.410 -1.243 1.00 0.38 H new ATOM 0 HD11 ILE A 62 -3.867 1.204 -4.077 1.00 0.73 H new ATOM 0 HD12 ILE A 62 -5.310 2.241 -4.176 1.00 0.73 H new ATOM 0 HD13 ILE A 62 -3.687 2.972 -4.165 1.00 0.73 H new ATOM 1041 N SER A 63 -7.166 5.190 -0.611 1.00 0.32 N ATOM 1042 CA SER A 63 -7.835 6.466 -0.236 1.00 0.38 C ATOM 1043 C SER A 63 -8.337 6.390 1.207 1.00 0.34 C ATOM 1044 O SER A 63 -8.349 7.372 1.923 1.00 0.43 O ATOM 1045 CB SER A 63 -9.008 6.599 -1.206 1.00 0.45 C ATOM 1046 OG SER A 63 -8.584 7.313 -2.359 1.00 1.48 O ATOM 0 H SER A 63 -7.596 4.685 -1.386 1.00 0.32 H new ATOM 0 HA SER A 63 -7.161 7.321 -0.295 1.00 0.38 H new ATOM 0 HB2 SER A 63 -9.374 5.612 -1.489 1.00 0.45 H new ATOM 0 HB3 SER A 63 -9.836 7.120 -0.725 1.00 0.45 H new ATOM 0 HG SER A 63 -9.333 7.399 -2.985 1.00 1.48 H new ATOM 1052 N LEU A 64 -8.752 5.231 1.641 1.00 0.30 N ATOM 1053 CA LEU A 64 -9.252 5.098 3.038 1.00 0.33 C ATOM 1054 C LEU A 64 -8.078 5.081 4.022 1.00 0.37 C ATOM 1055 O LEU A 64 -8.029 5.858 4.954 1.00 0.53 O ATOM 1056 CB LEU A 64 -9.999 3.765 3.066 1.00 0.37 C ATOM 1057 CG LEU A 64 -11.469 3.996 2.710 1.00 0.60 C ATOM 1058 CD1 LEU A 64 -12.209 2.657 2.699 1.00 0.77 C ATOM 1059 CD2 LEU A 64 -12.105 4.918 3.752 1.00 0.91 C ATOM 0 H LEU A 64 -8.766 4.373 1.090 1.00 0.30 H new ATOM 0 HA LEU A 64 -9.894 5.930 3.328 1.00 0.33 H new ATOM 0 HB2 LEU A 64 -9.548 3.068 2.359 1.00 0.37 H new ATOM 0 HB3 LEU A 64 -9.920 3.312 4.054 1.00 0.37 H new ATOM 0 HG LEU A 64 -11.536 4.456 1.724 1.00 0.60 H new ATOM 0 HD11 LEU A 64 -13.256 2.822 2.445 1.00 0.77 H new ATOM 0 HD12 LEU A 64 -11.756 1.997 1.959 1.00 0.77 H new ATOM 0 HD13 LEU A 64 -12.143 2.197 3.685 1.00 0.77 H new ATOM 0 HD21 LEU A 64 -13.152 5.084 3.500 1.00 0.91 H new ATOM 0 HD22 LEU A 64 -12.037 4.455 4.737 1.00 0.91 H new ATOM 0 HD23 LEU A 64 -11.579 5.873 3.763 1.00 0.91 H new ATOM 1071 N LEU A 65 -7.134 4.202 3.825 1.00 0.34 N ATOM 1072 CA LEU A 65 -5.969 4.142 4.756 1.00 0.43 C ATOM 1073 C LEU A 65 -5.302 5.516 4.856 1.00 0.64 C ATOM 1074 O LEU A 65 -4.914 5.954 5.921 1.00 1.40 O ATOM 1075 CB LEU A 65 -5.010 3.124 4.134 1.00 0.30 C ATOM 1076 CG LEU A 65 -5.327 1.720 4.658 1.00 0.39 C ATOM 1077 CD1 LEU A 65 -4.343 0.717 4.052 1.00 0.58 C ATOM 1078 CD2 LEU A 65 -5.195 1.698 6.183 1.00 0.80 C ATOM 0 H LEU A 65 -7.118 3.524 3.063 1.00 0.34 H new ATOM 0 HA LEU A 65 -6.264 3.856 5.766 1.00 0.43 H new ATOM 0 HB2 LEU A 65 -5.099 3.145 3.048 1.00 0.30 H new ATOM 0 HB3 LEU A 65 -3.980 3.387 4.375 1.00 0.30 H new ATOM 0 HG LEU A 65 -6.345 1.452 4.377 1.00 0.39 H new ATOM 0 HD11 LEU A 65 -4.567 -0.283 4.424 1.00 0.58 H new ATOM 0 HD12 LEU A 65 -4.434 0.729 2.966 1.00 0.58 H new ATOM 0 HD13 LEU A 65 -3.326 0.989 4.334 1.00 0.58 H new ATOM 0 HD21 LEU A 65 -5.421 0.698 6.553 1.00 0.80 H new ATOM 0 HD22 LEU A 65 -4.177 1.968 6.464 1.00 0.80 H new ATOM 0 HD23 LEU A 65 -5.893 2.413 6.619 1.00 0.80 H new ATOM 1090 N LYS A 66 -5.166 6.195 3.753 1.00 0.88 N ATOM 1091 CA LYS A 66 -4.523 7.542 3.776 1.00 1.01 C ATOM 1092 C LYS A 66 -4.607 8.190 2.390 1.00 1.20 C ATOM 1093 O LYS A 66 -4.475 7.532 1.377 1.00 1.95 O ATOM 1094 CB LYS A 66 -3.066 7.279 4.159 1.00 1.78 C ATOM 1095 CG LYS A 66 -2.458 8.547 4.762 1.00 2.62 C ATOM 1096 CD LYS A 66 -1.492 8.167 5.885 1.00 3.50 C ATOM 1097 CE LYS A 66 -0.267 7.469 5.292 1.00 4.23 C ATOM 1098 NZ LYS A 66 0.887 8.322 5.690 1.00 4.93 N ATOM 0 H LYS A 66 -5.472 5.877 2.833 1.00 0.88 H new ATOM 0 HA LYS A 66 -5.011 8.222 4.475 1.00 1.01 H new ATOM 0 HB2 LYS A 66 -3.010 6.460 4.876 1.00 1.78 H new ATOM 0 HB3 LYS A 66 -2.498 6.973 3.281 1.00 1.78 H new ATOM 0 HG2 LYS A 66 -1.933 9.112 3.992 1.00 2.62 H new ATOM 0 HG3 LYS A 66 -3.247 9.192 5.149 1.00 2.62 H new ATOM 0 HD2 LYS A 66 -1.186 9.058 6.433 1.00 3.50 H new ATOM 0 HD3 LYS A 66 -1.988 7.509 6.599 1.00 3.50 H new ATOM 0 HE2 LYS A 66 -0.162 6.456 5.680 1.00 4.23 H new ATOM 0 HE3 LYS A 66 -0.344 7.388 4.208 1.00 4.23 H new ATOM 0 HZ1 LYS A 66 1.767 7.910 5.320 1.00 4.93 H new ATOM 0 HZ2 LYS A 66 0.762 9.278 5.301 1.00 4.93 H new ATOM 0 HZ3 LYS A 66 0.938 8.375 6.727 1.00 4.93 H new ATOM 1112 N THR A 67 -4.831 9.475 2.339 1.00 1.83 N ATOM 1113 CA THR A 67 -4.928 10.163 1.022 1.00 2.81 C ATOM 1114 C THR A 67 -3.566 10.751 0.627 1.00 2.83 C ATOM 1115 O THR A 67 -2.855 11.271 1.464 1.00 3.17 O ATOM 1116 CB THR A 67 -5.953 11.280 1.235 1.00 3.88 C ATOM 1117 OG1 THR A 67 -7.162 10.722 1.729 1.00 4.12 O ATOM 1118 CG2 THR A 67 -6.223 11.992 -0.092 1.00 4.82 C ATOM 0 H THR A 67 -4.951 10.078 3.153 1.00 1.83 H new ATOM 0 HA THR A 67 -5.223 9.484 0.222 1.00 2.81 H new ATOM 0 HB THR A 67 -5.561 11.998 1.955 1.00 3.88 H new ATOM 0 HG1 THR A 67 -7.819 11.436 1.868 1.00 4.12 H new ATOM 0 HG21 THR A 67 -6.953 12.786 0.063 1.00 4.82 H new ATOM 0 HG22 THR A 67 -5.295 12.421 -0.470 1.00 4.82 H new ATOM 0 HG23 THR A 67 -6.614 11.277 -0.816 1.00 4.82 H new ATOM 1126 N PRO A 68 -3.245 10.654 -0.641 1.00 2.89 N ATOM 1127 CA PRO A 68 -1.953 11.190 -1.136 1.00 3.14 C ATOM 1128 C PRO A 68 -1.999 12.721 -1.195 1.00 3.54 C ATOM 1129 O PRO A 68 -2.221 13.303 -2.238 1.00 4.04 O ATOM 1130 CB PRO A 68 -1.832 10.599 -2.538 1.00 3.67 C ATOM 1131 CG PRO A 68 -3.237 10.320 -2.967 1.00 3.90 C ATOM 1132 CD PRO A 68 -4.037 10.044 -1.720 1.00 3.26 C ATOM 0 HA PRO A 68 -1.109 10.933 -0.496 1.00 3.14 H new ATOM 0 HB2 PRO A 68 -1.343 11.296 -3.219 1.00 3.67 H new ATOM 0 HB3 PRO A 68 -1.234 9.688 -2.531 1.00 3.67 H new ATOM 0 HG2 PRO A 68 -3.650 11.171 -3.509 1.00 3.90 H new ATOM 0 HG3 PRO A 68 -3.270 9.465 -3.643 1.00 3.90 H new ATOM 0 HD2 PRO A 68 -5.033 10.483 -1.780 1.00 3.26 H new ATOM 0 HD3 PRO A 68 -4.170 8.974 -1.561 1.00 3.26 H new ATOM 1140 N LYS A 69 -1.793 13.376 -0.085 1.00 3.84 N ATOM 1141 CA LYS A 69 -1.826 14.864 -0.083 1.00 4.57 C ATOM 1142 C LYS A 69 -0.448 15.432 0.281 1.00 4.92 C ATOM 1143 O LYS A 69 -0.318 16.242 1.177 1.00 5.24 O ATOM 1144 CB LYS A 69 -2.874 15.240 0.974 1.00 5.22 C ATOM 1145 CG LYS A 69 -2.360 14.889 2.375 1.00 5.67 C ATOM 1146 CD LYS A 69 -3.546 14.708 3.323 1.00 6.45 C ATOM 1147 CE LYS A 69 -3.105 15.015 4.756 1.00 7.21 C ATOM 1148 NZ LYS A 69 -4.340 14.881 5.577 1.00 7.82 N ATOM 0 H LYS A 69 -1.603 12.944 0.819 1.00 3.84 H new ATOM 0 HA LYS A 69 -2.078 15.271 -1.062 1.00 4.57 H new ATOM 0 HB2 LYS A 69 -3.094 16.306 0.916 1.00 5.22 H new ATOM 0 HB3 LYS A 69 -3.806 14.711 0.777 1.00 5.22 H new ATOM 0 HG2 LYS A 69 -1.768 13.975 2.338 1.00 5.67 H new ATOM 0 HG3 LYS A 69 -1.705 15.679 2.742 1.00 5.67 H new ATOM 0 HD2 LYS A 69 -4.362 15.370 3.032 1.00 6.45 H new ATOM 0 HD3 LYS A 69 -3.925 13.688 3.258 1.00 6.45 H new ATOM 0 HE2 LYS A 69 -2.333 14.321 5.088 1.00 7.21 H new ATOM 0 HE3 LYS A 69 -2.687 16.018 4.834 1.00 7.21 H new ATOM 0 HZ1 LYS A 69 -4.117 15.077 6.574 1.00 7.82 H new ATOM 0 HZ2 LYS A 69 -5.055 15.558 5.242 1.00 7.82 H new ATOM 0 HZ3 LYS A 69 -4.712 13.914 5.489 1.00 7.82 H new ATOM 1162 N GLN A 70 0.579 15.015 -0.406 1.00 5.23 N ATOM 1163 CA GLN A 70 1.942 15.534 -0.093 1.00 5.85 C ATOM 1164 C GLN A 70 2.545 16.221 -1.322 1.00 6.35 C ATOM 1165 O GLN A 70 2.651 15.636 -2.382 1.00 6.60 O ATOM 1166 CB GLN A 70 2.759 14.299 0.286 1.00 6.21 C ATOM 1167 CG GLN A 70 4.147 14.730 0.761 1.00 6.83 C ATOM 1168 CD GLN A 70 4.698 13.686 1.732 1.00 7.34 C ATOM 1169 OE1 GLN A 70 4.054 12.693 2.004 1.00 7.59 O ATOM 1170 NE2 GLN A 70 5.873 13.868 2.269 1.00 7.81 N ATOM 0 H GLN A 70 0.535 14.339 -1.169 1.00 5.23 H new ATOM 0 HA GLN A 70 1.927 16.274 0.707 1.00 5.85 H new ATOM 0 HB2 GLN A 70 2.251 13.741 1.073 1.00 6.21 H new ATOM 0 HB3 GLN A 70 2.848 13.632 -0.571 1.00 6.21 H new ATOM 0 HG2 GLN A 70 4.817 14.840 -0.091 1.00 6.83 H new ATOM 0 HG3 GLN A 70 4.091 15.703 1.249 1.00 6.83 H new ATOM 0 HE21 GLN A 70 6.414 14.702 2.041 1.00 7.81 H new ATOM 0 HE22 GLN A 70 6.250 13.176 2.917 1.00 7.81 H new ATOM 1179 N LEU A 71 2.940 17.458 -1.187 1.00 6.82 N ATOM 1180 CA LEU A 71 3.536 18.185 -2.346 1.00 7.53 C ATOM 1181 C LEU A 71 5.065 18.120 -2.280 1.00 7.81 C ATOM 1182 O LEU A 71 5.670 17.825 -3.297 1.00 8.10 O ATOM 1183 CB LEU A 71 3.054 19.629 -2.198 1.00 8.22 C ATOM 1184 CG LEU A 71 1.629 19.751 -2.742 1.00 8.59 C ATOM 1185 CD1 LEU A 71 0.641 19.788 -1.576 1.00 8.98 C ATOM 1186 CD2 LEU A 71 1.502 21.039 -3.559 1.00 9.15 C ATOM 1187 OXT LEU A 71 5.603 18.367 -1.214 1.00 7.99 O ATOM 0 H LEU A 71 2.876 17.998 -0.324 1.00 6.82 H new ATOM 0 HA LEU A 71 3.240 17.753 -3.302 1.00 7.53 H new ATOM 0 HB2 LEU A 71 3.081 19.927 -1.150 1.00 8.22 H new ATOM 0 HB3 LEU A 71 3.719 20.303 -2.738 1.00 8.22 H new ATOM 0 HG LEU A 71 1.409 18.894 -3.379 1.00 8.59 H new ATOM 0 HD11 LEU A 71 -0.375 19.875 -1.962 1.00 8.98 H new ATOM 0 HD12 LEU A 71 0.731 18.871 -0.994 1.00 8.98 H new ATOM 0 HD13 LEU A 71 0.862 20.645 -0.939 1.00 8.98 H new ATOM 0 HD21 LEU A 71 0.487 21.126 -3.946 1.00 9.15 H new ATOM 0 HD22 LEU A 71 1.722 21.896 -2.923 1.00 9.15 H new ATOM 0 HD23 LEU A 71 2.207 21.014 -4.390 1.00 9.15 H new TER 1199 LEU A 71 CONECT 142 536 CONECT 152 804 CONECT 536 142 CONECT 804 152 END