USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) HEADER PROTEIN BINDING 14-DEC-01 1KM7 TITLE SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF GABARAP, GABAA TITLE 2 RECEPTOR ASSOCIATED PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: GABA(A) RECEPTOR ASSOCIATED PROTEIN; 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 BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T KEYWDS UBIQUITIN-LIKE FOLD, PROTEIN BINDING EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.KOUNO,K.MIURA,M.TADA,T.KANEMATSU,S.TATE,M.SHIRAKAWA, AUTHOR 2 M.HIRATA,K.KAWANO REVDAT 2 24-FEB-09 1KM7 1 VERSN REVDAT 1 07-OCT-03 1KM7 0 JRNL AUTH T.KOUNO,K.MIURA,T.KANEMATSU,M.SHIRAKAWA,M.HIRATA, JRNL AUTH 2 K.KAWANO JRNL TITL 1H, 13C AND '5N RESONANCE ASSIGNMENTS OF GABARAP, JRNL TITL 2 GABAA RECEPTOR ASSOCIATED PROTEIN. JRNL REF J.BIOMOL.NMR V. 22 97 2002 JRNL REFN ISSN 0925-2738 JRNL PMID 11885988 JRNL DOI 10.1023/A:1013884402033 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER, A.T. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THIS STRUCTURE IS BASED ON A TOTAL REMARK 3 OF 976 RESTRAINTS, 861 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 59 DIHEDRAL ANGLE RESTRAINTS, 56 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS. REMARK 4 REMARK 4 1KM7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-DEC-01. REMARK 100 THE RCSB ID CODE IS RCSB015101. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 340 REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 1MM GABARAP, 20MM PHOSPHATE REMARK 210 BUFFER NA, 50MM NACL, 0.02MM REMARK 210 NAN3, 90% H2O, 10% D2O; 1MM REMARK 210 GABARAP, 20MM PHOSPHATE BUFFER REMARK 210 NA, 50MM NACL, 0.02MM NAN3, REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA, REMARK 210 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX, DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, PIPP REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 3D REMARK 210 HETERONUCLEAR TECHNICQUES. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 1 REMARK 465 LYS A 2 REMARK 465 PHE A 3 REMARK 465 VAL A 4 REMARK 465 TYR A 5 REMARK 465 LYS A 6 REMARK 465 GLU A 7 REMARK 465 GLU A 8 REMARK 465 HIS A 9 REMARK 465 PRO A 10 REMARK 465 PHE A 11 REMARK 465 GLU A 12 REMARK 465 LYS A 13 REMARK 465 ARG A 14 REMARK 465 ARG A 15 REMARK 465 SER A 16 REMARK 465 GLU A 17 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 TYR A 25 70.71 -116.42 REMARK 500 ARG A 40 37.81 -149.66 REMARK 500 ALA A 72 -92.65 51.98 REMARK 500 ILE A 84 74.17 -152.76 REMARK 500 SER A 88 45.25 -101.23 REMARK 500 HIS A 98 38.19 -99.32 REMARK 500 GLU A 101 145.36 62.40 REMARK 500 ASP A 102 -148.07 52.98 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 22 0.32 SIDE_CHAIN REMARK 500 ARG A 28 0.32 SIDE_CHAIN REMARK 500 ARG A 40 0.31 SIDE_CHAIN REMARK 500 ARG A 65 0.30 SIDE_CHAIN REMARK 500 ARG A 67 0.31 SIDE_CHAIN REMARK 500 ARG A 71 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KLV RELATED DB: PDB REMARK 900 1KLV IS THE ENSEMBLE OF 20 STRUCTURES. DBREF 1KM7 A 1 117 UNP O95166 GBRAP_HUMAN 1 117 SEQRES 1 A 117 MET LYS PHE VAL TYR LYS GLU GLU HIS PRO PHE GLU LYS SEQRES 2 A 117 ARG ARG SER GLU GLY GLU LYS ILE ARG LYS LYS TYR PRO SEQRES 3 A 117 ASP ARG VAL PRO VAL ILE VAL GLU LYS ALA PRO LYS ALA SEQRES 4 A 117 ARG ILE GLY ASP LEU ASP LYS LYS LYS TYR LEU VAL PRO SEQRES 5 A 117 SER ASP LEU THR VAL GLY GLN PHE TYR PHE LEU ILE ARG SEQRES 6 A 117 LYS ARG ILE HIS LEU ARG ALA GLU ASP ALA LEU PHE PHE SEQRES 7 A 117 PHE VAL ASN ASN VAL ILE PRO PRO THR SER ALA THR MET SEQRES 8 A 117 GLY GLN LEU TYR GLN GLU HIS HIS GLU GLU ASP PHE PHE SEQRES 9 A 117 LEU TYR ILE ALA TYR SER ASP GLU SER VAL TYR GLY LEU HELIX 1 1 GLY A 18 TYR A 25 1 8 HELIX 2 2 THR A 56 ILE A 68 1 13 HELIX 3 3 THR A 90 HIS A 98 1 9 SHEET 1 A 4 LYS A 48 PRO A 52 0 SHEET 2 A 4 ARG A 28 LYS A 35 -1 N VAL A 31 O TYR A 49 SHEET 3 A 4 LEU A 105 SER A 110 1 O LEU A 105 N ILE A 32 SHEET 4 A 4 PHE A 77 PHE A 79 -1 N PHE A 79 O ALA A 108 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 90 THR OG1 : rot -66:sc= 0.213 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.361 X(o=0.57,f=0.37) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= -0.974 (180deg=-4.08!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 0.0111 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.602 USER MOD Single : A 53 SER OG : rot 85:sc= 0.00375 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 0.907 (180deg=-0.00854) USER MOD Single : A 69 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.29) USER MOD Single : A 81 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.3) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -94:sc= 0.0965 USER MOD Single : A 88 SER OG : rot -54:sc= 0.0289 USER MOD Single : A 91 MET CE :methyl 180:sc= -5.27! (180deg=-5.27!) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1.5) USER MOD Single : A 99 HIS : no HE2:sc= -0.633 K(o=-0.63,f=-4.3!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0226 USER MOD Single : A 109 TYR OH : rot 50:sc= -1.15 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 103:sc= 0.826 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -4.414 15.207 7.520 1.00 3.05 N ATOM 2 CA GLY A 18 -4.249 15.122 6.039 1.00 2.85 C ATOM 3 C GLY A 18 -4.194 16.534 5.453 1.00 2.92 C ATOM 4 O GLY A 18 -3.481 16.787 4.499 1.00 2.97 O ATOM 0 HA2 GLY A 18 -3.336 14.579 5.794 1.00 2.85 H new ATOM 0 HA3 GLY A 18 -5.078 14.566 5.601 1.00 2.85 H new ATOM 8 N GLU A 19 -4.933 17.459 6.028 1.00 2.97 N ATOM 9 CA GLU A 19 -4.919 18.869 5.520 1.00 3.11 C ATOM 10 C GLU A 19 -3.498 19.435 5.605 1.00 3.18 C ATOM 11 O GLU A 19 -3.030 20.092 4.694 1.00 3.30 O ATOM 12 CB GLU A 19 -5.866 19.649 6.444 1.00 3.23 C ATOM 13 CG GLU A 19 -7.013 20.241 5.621 1.00 3.24 C ATOM 14 CD GLU A 19 -8.285 20.289 6.475 1.00 3.08 C ATOM 15 OE1 GLU A 19 -8.932 19.260 6.600 1.00 3.42 O ATOM 16 OE2 GLU A 19 -8.591 21.353 6.988 1.00 3.20 O ATOM 0 H GLU A 19 -5.545 17.296 6.828 1.00 2.97 H new ATOM 0 HA GLU A 19 -5.234 18.935 4.479 1.00 3.11 H new ATOM 0 HB2 GLU A 19 -6.262 18.990 7.217 1.00 3.23 H new ATOM 0 HB3 GLU A 19 -5.321 20.445 6.952 1.00 3.23 H new ATOM 0 HG2 GLU A 19 -6.752 21.244 5.282 1.00 3.24 H new ATOM 0 HG3 GLU A 19 -7.184 19.638 4.729 1.00 3.24 H new ATOM 23 N LYS A 20 -2.805 19.167 6.689 1.00 3.16 N ATOM 24 CA LYS A 20 -1.404 19.672 6.831 1.00 3.31 C ATOM 25 C LYS A 20 -0.454 18.836 5.960 1.00 3.21 C ATOM 26 O LYS A 20 0.506 19.351 5.422 1.00 3.27 O ATOM 27 CB LYS A 20 -1.054 19.512 8.316 1.00 3.36 C ATOM 28 CG LYS A 20 -0.221 20.713 8.776 1.00 3.78 C ATOM 29 CD LYS A 20 -1.138 21.765 9.408 1.00 4.02 C ATOM 30 CE LYS A 20 -1.200 21.550 10.926 1.00 4.36 C ATOM 31 NZ LYS A 20 -2.571 21.981 11.328 1.00 4.68 N ATOM 0 H LYS A 20 -3.150 18.621 7.479 1.00 3.16 H new ATOM 0 HA LYS A 20 -1.309 20.709 6.509 1.00 3.31 H new ATOM 0 HB2 LYS A 20 -1.965 19.439 8.910 1.00 3.36 H new ATOM 0 HB3 LYS A 20 -0.497 18.588 8.472 1.00 3.36 H new ATOM 0 HG2 LYS A 20 0.531 20.392 9.497 1.00 3.78 H new ATOM 0 HG3 LYS A 20 0.313 21.144 7.929 1.00 3.78 H new ATOM 0 HD2 LYS A 20 -0.766 22.766 9.187 1.00 4.02 H new ATOM 0 HD3 LYS A 20 -2.138 21.695 8.980 1.00 4.02 H new ATOM 0 HE2 LYS A 20 -1.025 20.505 11.183 1.00 4.36 H new ATOM 0 HE3 LYS A 20 -0.437 22.137 11.438 1.00 4.36 H new ATOM 0 HZ1 LYS A 20 -2.685 21.862 12.355 1.00 4.68 H new ATOM 0 HZ2 LYS A 20 -2.708 22.981 11.078 1.00 4.68 H new ATOM 0 HZ3 LYS A 20 -3.277 21.401 10.831 1.00 4.68 H new ATOM 45 N ILE A 21 -0.724 17.556 5.806 1.00 3.08 N ATOM 46 CA ILE A 21 0.161 16.695 4.955 1.00 3.00 C ATOM 47 C ILE A 21 0.093 17.157 3.492 1.00 2.97 C ATOM 48 O ILE A 21 1.065 17.073 2.772 1.00 2.94 O ATOM 49 CB ILE A 21 -0.380 15.261 5.129 1.00 2.88 C ATOM 50 CG1 ILE A 21 0.386 14.562 6.261 1.00 2.98 C ATOM 51 CG2 ILE A 21 -0.197 14.455 3.838 1.00 2.85 C ATOM 52 CD1 ILE A 21 0.123 15.276 7.590 1.00 3.22 C ATOM 0 H ILE A 21 -1.516 17.074 6.232 1.00 3.08 H new ATOM 0 HA ILE A 21 1.210 16.753 5.245 1.00 3.00 H new ATOM 0 HB ILE A 21 -1.442 15.317 5.368 1.00 2.88 H new ATOM 0 HG12 ILE A 21 0.076 13.519 6.331 1.00 2.98 H new ATOM 0 HG13 ILE A 21 1.454 14.563 6.043 1.00 2.98 H new ATOM 0 HG21 ILE A 21 -0.585 13.446 3.981 1.00 2.85 H new ATOM 0 HG22 ILE A 21 -0.739 14.940 3.026 1.00 2.85 H new ATOM 0 HG23 ILE A 21 0.863 14.404 3.588 1.00 2.85 H new ATOM 0 HD11 ILE A 21 0.670 14.773 8.388 1.00 3.22 H new ATOM 0 HD12 ILE A 21 0.455 16.312 7.519 1.00 3.22 H new ATOM 0 HD13 ILE A 21 -0.944 15.252 7.811 1.00 3.22 H new ATOM 64 N ARG A 22 -1.035 17.660 3.054 1.00 3.01 N ATOM 65 CA ARG A 22 -1.137 18.141 1.642 1.00 3.03 C ATOM 66 C ARG A 22 -0.543 19.549 1.525 1.00 3.23 C ATOM 67 O ARG A 22 -0.028 19.923 0.489 1.00 3.28 O ATOM 68 CB ARG A 22 -2.634 18.134 1.308 1.00 3.06 C ATOM 69 CG ARG A 22 -3.128 16.687 1.140 1.00 3.00 C ATOM 70 CD ARG A 22 -2.072 15.843 0.414 1.00 3.54 C ATOM 71 NE ARG A 22 -2.737 14.538 0.136 1.00 3.68 N ATOM 72 CZ ARG A 22 -3.220 14.291 -1.051 1.00 3.93 C ATOM 73 NH1 ARG A 22 -4.420 14.702 -1.367 1.00 4.72 N ATOM 74 NH2 ARG A 22 -2.502 13.630 -1.923 1.00 3.75 N ATOM 0 H ARG A 22 -1.885 17.758 3.610 1.00 3.01 H new ATOM 0 HA ARG A 22 -0.582 17.509 0.948 1.00 3.03 H new ATOM 0 HB2 ARG A 22 -3.194 18.629 2.101 1.00 3.06 H new ATOM 0 HB3 ARG A 22 -2.813 18.697 0.392 1.00 3.06 H new ATOM 0 HG2 ARG A 22 -3.341 16.253 2.117 1.00 3.00 H new ATOM 0 HG3 ARG A 22 -4.061 16.677 0.576 1.00 3.00 H new ATOM 0 HD2 ARG A 22 -1.749 16.325 -0.509 1.00 3.54 H new ATOM 0 HD3 ARG A 22 -1.183 15.709 1.031 1.00 3.54 H new ATOM 0 HE ARG A 22 -2.815 13.838 0.874 1.00 3.68 H new ATOM 0 HH11 ARG A 22 -4.979 15.216 -0.686 1.00 4.72 H new ATOM 0 HH12 ARG A 22 -4.797 14.509 -2.295 1.00 4.72 H new ATOM 0 HH21 ARG A 22 -1.566 13.309 -1.674 1.00 3.75 H new ATOM 0 HH22 ARG A 22 -2.878 13.436 -2.851 1.00 3.75 H new ATOM 88 N LYS A 23 -0.583 20.325 2.587 1.00 3.37 N ATOM 89 CA LYS A 23 0.013 21.694 2.539 1.00 3.60 C ATOM 90 C LYS A 23 1.531 21.576 2.348 1.00 3.62 C ATOM 91 O LYS A 23 2.120 22.267 1.538 1.00 3.76 O ATOM 92 CB LYS A 23 -0.315 22.332 3.892 1.00 3.73 C ATOM 93 CG LYS A 23 -1.709 22.964 3.839 1.00 3.73 C ATOM 94 CD LYS A 23 -2.126 23.416 5.241 1.00 3.89 C ATOM 95 CE LYS A 23 -2.963 24.695 5.142 1.00 4.28 C ATOM 96 NZ LYS A 23 -3.429 24.969 6.533 1.00 4.30 N ATOM 0 H LYS A 23 -1.002 20.066 3.480 1.00 3.37 H new ATOM 0 HA LYS A 23 -0.378 22.293 1.717 1.00 3.60 H new ATOM 0 HB2 LYS A 23 -0.276 21.579 4.679 1.00 3.73 H new ATOM 0 HB3 LYS A 23 0.429 23.089 4.138 1.00 3.73 H new ATOM 0 HG2 LYS A 23 -1.707 23.815 3.158 1.00 3.73 H new ATOM 0 HG3 LYS A 23 -2.430 22.245 3.449 1.00 3.73 H new ATOM 0 HD2 LYS A 23 -2.701 22.630 5.731 1.00 3.89 H new ATOM 0 HD3 LYS A 23 -1.243 23.594 5.854 1.00 3.89 H new ATOM 0 HE2 LYS A 23 -2.370 25.524 4.755 1.00 4.28 H new ATOM 0 HE3 LYS A 23 -3.806 24.562 4.464 1.00 4.28 H new ATOM 0 HZ1 LYS A 23 -4.009 25.832 6.541 1.00 4.30 H new ATOM 0 HZ2 LYS A 23 -3.997 24.167 6.873 1.00 4.30 H new ATOM 0 HZ3 LYS A 23 -2.606 25.099 7.155 1.00 4.30 H new ATOM 110 N LYS A 24 2.158 20.680 3.079 1.00 3.52 N ATOM 111 CA LYS A 24 3.635 20.478 2.940 1.00 3.59 C ATOM 112 C LYS A 24 3.913 19.490 1.803 1.00 3.46 C ATOM 113 O LYS A 24 4.826 19.676 1.018 1.00 3.55 O ATOM 114 CB LYS A 24 4.123 19.888 4.273 1.00 3.57 C ATOM 115 CG LYS A 24 3.441 20.594 5.447 1.00 3.62 C ATOM 116 CD LYS A 24 4.189 20.279 6.746 1.00 3.88 C ATOM 117 CE LYS A 24 3.249 20.476 7.940 1.00 3.63 C ATOM 118 NZ LYS A 24 3.349 21.923 8.288 1.00 3.78 N ATOM 0 H LYS A 24 1.706 20.079 3.768 1.00 3.52 H new ATOM 0 HA LYS A 24 4.145 21.414 2.712 1.00 3.59 H new ATOM 0 HB2 LYS A 24 3.907 18.820 4.307 1.00 3.57 H new ATOM 0 HB3 LYS A 24 5.205 19.997 4.353 1.00 3.57 H new ATOM 0 HG2 LYS A 24 3.426 21.671 5.277 1.00 3.62 H new ATOM 0 HG3 LYS A 24 2.404 20.269 5.526 1.00 3.62 H new ATOM 0 HD2 LYS A 24 4.558 19.254 6.726 1.00 3.88 H new ATOM 0 HD3 LYS A 24 5.059 20.929 6.844 1.00 3.88 H new ATOM 0 HE2 LYS A 24 2.225 20.203 7.683 1.00 3.63 H new ATOM 0 HE3 LYS A 24 3.545 19.848 8.781 1.00 3.63 H new ATOM 0 HZ1 LYS A 24 2.730 22.129 9.098 1.00 3.78 H new ATOM 0 HZ2 LYS A 24 4.332 22.153 8.536 1.00 3.78 H new ATOM 0 HZ3 LYS A 24 3.054 22.497 7.473 1.00 3.78 H new ATOM 132 N TYR A 25 3.138 18.430 1.723 1.00 3.28 N ATOM 133 CA TYR A 25 3.352 17.408 0.649 1.00 3.17 C ATOM 134 C TYR A 25 2.127 17.348 -0.286 1.00 3.10 C ATOM 135 O TYR A 25 1.382 16.382 -0.272 1.00 3.00 O ATOM 136 CB TYR A 25 3.532 16.071 1.395 1.00 3.08 C ATOM 137 CG TYR A 25 4.349 16.265 2.659 1.00 3.23 C ATOM 138 CD1 TYR A 25 5.691 16.659 2.574 1.00 3.37 C ATOM 139 CD2 TYR A 25 3.759 16.058 3.913 1.00 3.26 C ATOM 140 CE1 TYR A 25 6.441 16.844 3.742 1.00 3.54 C ATOM 141 CE2 TYR A 25 4.507 16.242 5.078 1.00 3.43 C ATOM 142 CZ TYR A 25 5.849 16.635 4.994 1.00 3.57 C ATOM 143 OH TYR A 25 6.588 16.818 6.146 1.00 3.76 O ATOM 0 H TYR A 25 2.365 18.230 2.358 1.00 3.28 H new ATOM 0 HA TYR A 25 4.214 17.643 0.024 1.00 3.17 H new ATOM 0 HB2 TYR A 25 2.556 15.656 1.647 1.00 3.08 H new ATOM 0 HB3 TYR A 25 4.026 15.350 0.744 1.00 3.08 H new ATOM 0 HD1 TYR A 25 6.147 16.820 1.608 1.00 3.37 H new ATOM 0 HD2 TYR A 25 2.724 15.756 3.979 1.00 3.26 H new ATOM 0 HE1 TYR A 25 7.475 17.148 3.677 1.00 3.54 H new ATOM 0 HE2 TYR A 25 4.051 16.081 6.044 1.00 3.43 H new ATOM 0 HH TYR A 25 6.027 16.633 6.928 1.00 3.76 H new ATOM 153 N PRO A 26 1.955 18.388 -1.077 1.00 3.18 N ATOM 154 CA PRO A 26 0.804 18.451 -2.022 1.00 3.16 C ATOM 155 C PRO A 26 0.961 17.428 -3.158 1.00 3.09 C ATOM 156 O PRO A 26 -0.013 16.896 -3.655 1.00 3.09 O ATOM 157 CB PRO A 26 0.858 19.879 -2.562 1.00 3.32 C ATOM 158 CG PRO A 26 2.283 20.295 -2.395 1.00 3.40 C ATOM 159 CD PRO A 26 2.801 19.585 -1.173 1.00 3.32 C ATOM 0 HA PRO A 26 -0.146 18.214 -1.543 1.00 3.16 H new ATOM 0 HB2 PRO A 26 0.554 19.918 -3.608 1.00 3.32 H new ATOM 0 HB3 PRO A 26 0.186 20.537 -2.010 1.00 3.32 H new ATOM 0 HG2 PRO A 26 2.869 20.029 -3.275 1.00 3.40 H new ATOM 0 HG3 PRO A 26 2.359 21.376 -2.276 1.00 3.40 H new ATOM 0 HD2 PRO A 26 3.854 19.323 -1.279 1.00 3.32 H new ATOM 0 HD3 PRO A 26 2.715 20.208 -0.282 1.00 3.32 H new ATOM 167 N ASP A 27 2.177 17.147 -3.566 1.00 3.07 N ATOM 168 CA ASP A 27 2.392 16.156 -4.667 1.00 3.02 C ATOM 169 C ASP A 27 2.622 14.744 -4.096 1.00 2.92 C ATOM 170 O ASP A 27 3.017 13.844 -4.814 1.00 2.91 O ATOM 171 CB ASP A 27 3.643 16.647 -5.402 1.00 3.03 C ATOM 172 CG ASP A 27 3.655 16.095 -6.833 1.00 3.29 C ATOM 173 OD1 ASP A 27 2.956 16.648 -7.667 1.00 3.69 O ATOM 174 OD2 ASP A 27 4.363 15.129 -7.068 1.00 3.45 O ATOM 0 H ASP A 27 3.028 17.561 -3.184 1.00 3.07 H new ATOM 0 HA ASP A 27 1.527 16.087 -5.326 1.00 3.02 H new ATOM 0 HB2 ASP A 27 3.660 17.737 -5.423 1.00 3.03 H new ATOM 0 HB3 ASP A 27 4.538 16.325 -4.870 1.00 3.03 H new ATOM 179 N ARG A 28 2.378 14.534 -2.820 1.00 2.88 N ATOM 180 CA ARG A 28 2.589 13.171 -2.240 1.00 2.81 C ATOM 181 C ARG A 28 1.270 12.397 -2.194 1.00 2.68 C ATOM 182 O ARG A 28 0.210 12.932 -2.459 1.00 2.73 O ATOM 183 CB ARG A 28 3.127 13.404 -0.826 1.00 3.01 C ATOM 184 CG ARG A 28 4.653 13.507 -0.871 1.00 2.83 C ATOM 185 CD ARG A 28 5.061 14.848 -1.494 1.00 2.96 C ATOM 186 NE ARG A 28 6.309 15.243 -0.785 1.00 3.08 N ATOM 187 CZ ARG A 28 7.327 15.702 -1.464 1.00 3.19 C ATOM 188 NH1 ARG A 28 7.385 16.972 -1.776 1.00 3.62 N ATOM 189 NH2 ARG A 28 8.285 14.892 -1.832 1.00 3.28 N ATOM 0 H ARG A 28 2.046 15.241 -2.164 1.00 2.88 H new ATOM 0 HA ARG A 28 3.280 12.580 -2.841 1.00 2.81 H new ATOM 0 HB2 ARG A 28 2.702 14.318 -0.410 1.00 3.01 H new ATOM 0 HB3 ARG A 28 2.826 12.586 -0.172 1.00 3.01 H new ATOM 0 HG2 ARG A 28 5.063 13.423 0.135 1.00 2.83 H new ATOM 0 HG3 ARG A 28 5.066 12.683 -1.453 1.00 2.83 H new ATOM 0 HD2 ARG A 28 5.232 14.749 -2.566 1.00 2.96 H new ATOM 0 HD3 ARG A 28 4.280 15.597 -1.364 1.00 2.96 H new ATOM 0 HE ARG A 28 6.370 15.156 0.229 1.00 3.08 H new ATOM 0 HH11 ARG A 28 6.636 17.602 -1.489 1.00 3.62 H new ATOM 0 HH12 ARG A 28 8.179 17.331 -2.306 1.00 3.62 H new ATOM 0 HH21 ARG A 28 8.238 13.902 -1.589 1.00 3.28 H new ATOM 0 HH22 ARG A 28 9.080 15.250 -2.362 1.00 3.28 H new ATOM 203 N VAL A 29 1.341 11.135 -1.863 1.00 2.58 N ATOM 204 CA VAL A 29 0.115 10.293 -1.796 1.00 2.47 C ATOM 205 C VAL A 29 0.130 9.457 -0.505 1.00 2.51 C ATOM 206 O VAL A 29 0.757 8.412 -0.447 1.00 2.43 O ATOM 207 CB VAL A 29 0.181 9.407 -3.054 1.00 2.22 C ATOM 208 CG1 VAL A 29 -0.708 8.169 -2.890 1.00 2.11 C ATOM 209 CG2 VAL A 29 -0.299 10.214 -4.262 1.00 2.26 C ATOM 0 H VAL A 29 2.207 10.648 -1.634 1.00 2.58 H new ATOM 0 HA VAL A 29 -0.806 10.875 -1.772 1.00 2.47 H new ATOM 0 HB VAL A 29 1.211 9.082 -3.202 1.00 2.22 H new ATOM 0 HG11 VAL A 29 -0.648 7.556 -3.789 1.00 2.11 H new ATOM 0 HG12 VAL A 29 -0.369 7.589 -2.032 1.00 2.11 H new ATOM 0 HG13 VAL A 29 -1.740 8.481 -2.732 1.00 2.11 H new ATOM 0 HG21 VAL A 29 -0.255 9.592 -5.156 1.00 2.26 H new ATOM 0 HG22 VAL A 29 -1.326 10.540 -4.097 1.00 2.26 H new ATOM 0 HG23 VAL A 29 0.341 11.086 -4.395 1.00 2.26 H new ATOM 219 N PRO A 30 -0.570 9.951 0.491 1.00 2.65 N ATOM 220 CA PRO A 30 -0.654 9.243 1.790 1.00 2.73 C ATOM 221 C PRO A 30 -1.575 8.019 1.650 1.00 2.56 C ATOM 222 O PRO A 30 -2.794 8.127 1.674 1.00 2.61 O ATOM 223 CB PRO A 30 -1.247 10.285 2.733 1.00 2.96 C ATOM 224 CG PRO A 30 -2.004 11.225 1.849 1.00 2.96 C ATOM 225 CD PRO A 30 -1.328 11.210 0.503 1.00 2.77 C ATOM 0 HA PRO A 30 0.304 8.867 2.150 1.00 2.73 H new ATOM 0 HB2 PRO A 30 -1.903 9.822 3.470 1.00 2.96 H new ATOM 0 HB3 PRO A 30 -0.466 10.807 3.286 1.00 2.96 H new ATOM 0 HG2 PRO A 30 -3.045 10.916 1.760 1.00 2.96 H new ATOM 0 HG3 PRO A 30 -2.005 12.231 2.268 1.00 2.96 H new ATOM 0 HD2 PRO A 30 -2.056 11.244 -0.308 1.00 2.77 H new ATOM 0 HD3 PRO A 30 -0.671 12.071 0.378 1.00 2.77 H new ATOM 233 N VAL A 31 -0.995 6.860 1.468 1.00 2.38 N ATOM 234 CA VAL A 31 -1.806 5.627 1.296 1.00 2.23 C ATOM 235 C VAL A 31 -2.035 4.922 2.638 1.00 2.32 C ATOM 236 O VAL A 31 -1.190 4.931 3.513 1.00 2.43 O ATOM 237 CB VAL A 31 -1.002 4.736 0.324 1.00 2.02 C ATOM 238 CG1 VAL A 31 -0.437 5.572 -0.830 1.00 1.85 C ATOM 239 CG2 VAL A 31 0.155 4.018 1.037 1.00 2.20 C ATOM 0 H VAL A 31 0.015 6.719 1.432 1.00 2.38 H new ATOM 0 HA VAL A 31 -2.798 5.851 0.905 1.00 2.23 H new ATOM 0 HB VAL A 31 -1.690 3.986 -0.066 1.00 2.02 H new ATOM 0 HG11 VAL A 31 0.126 4.927 -1.505 1.00 1.85 H new ATOM 0 HG12 VAL A 31 -1.256 6.040 -1.375 1.00 1.85 H new ATOM 0 HG13 VAL A 31 0.221 6.344 -0.432 1.00 1.85 H new ATOM 0 HG21 VAL A 31 0.697 3.401 0.320 1.00 2.20 H new ATOM 0 HG22 VAL A 31 0.833 4.756 1.466 1.00 2.20 H new ATOM 0 HG23 VAL A 31 -0.243 3.387 1.831 1.00 2.20 H new ATOM 249 N ILE A 32 -3.173 4.292 2.788 1.00 2.31 N ATOM 250 CA ILE A 32 -3.468 3.549 4.051 1.00 2.41 C ATOM 251 C ILE A 32 -3.180 2.069 3.800 1.00 2.25 C ATOM 252 O ILE A 32 -3.415 1.566 2.716 1.00 2.09 O ATOM 253 CB ILE A 32 -4.959 3.784 4.343 1.00 2.55 C ATOM 254 CG1 ILE A 32 -5.215 5.278 4.612 1.00 2.66 C ATOM 255 CG2 ILE A 32 -5.381 2.966 5.569 1.00 2.76 C ATOM 256 CD1 ILE A 32 -4.362 5.760 5.792 1.00 3.12 C ATOM 0 H ILE A 32 -3.913 4.260 2.087 1.00 2.31 H new ATOM 0 HA ILE A 32 -2.865 3.878 4.897 1.00 2.41 H new ATOM 0 HB ILE A 32 -5.542 3.470 3.477 1.00 2.55 H new ATOM 0 HG12 ILE A 32 -4.979 5.861 3.722 1.00 2.66 H new ATOM 0 HG13 ILE A 32 -6.271 5.440 4.828 1.00 2.66 H new ATOM 0 HG21 ILE A 32 -6.438 3.135 5.773 1.00 2.76 H new ATOM 0 HG22 ILE A 32 -5.214 1.907 5.375 1.00 2.76 H new ATOM 0 HG23 ILE A 32 -4.791 3.274 6.432 1.00 2.76 H new ATOM 0 HD11 ILE A 32 -4.553 6.818 5.971 1.00 3.12 H new ATOM 0 HD12 ILE A 32 -4.619 5.189 6.684 1.00 3.12 H new ATOM 0 HD13 ILE A 32 -3.307 5.616 5.561 1.00 3.12 H new ATOM 268 N VAL A 33 -2.652 1.371 4.768 1.00 2.30 N ATOM 269 CA VAL A 33 -2.329 -0.066 4.543 1.00 2.17 C ATOM 270 C VAL A 33 -3.101 -0.970 5.516 1.00 2.27 C ATOM 271 O VAL A 33 -3.239 -0.678 6.690 1.00 2.48 O ATOM 272 CB VAL A 33 -0.806 -0.148 4.737 1.00 2.17 C ATOM 273 CG1 VAL A 33 -0.420 -1.356 5.599 1.00 2.14 C ATOM 274 CG2 VAL A 33 -0.147 -0.273 3.357 1.00 2.09 C ATOM 0 H VAL A 33 -2.432 1.730 5.697 1.00 2.30 H new ATOM 0 HA VAL A 33 -2.624 -0.417 3.554 1.00 2.17 H new ATOM 0 HB VAL A 33 -0.465 0.752 5.248 1.00 2.17 H new ATOM 0 HG11 VAL A 33 0.663 -1.387 5.718 1.00 2.14 H new ATOM 0 HG12 VAL A 33 -0.890 -1.269 6.578 1.00 2.14 H new ATOM 0 HG13 VAL A 33 -0.758 -2.272 5.114 1.00 2.14 H new ATOM 0 HG21 VAL A 33 0.935 -0.332 3.475 1.00 2.09 H new ATOM 0 HG22 VAL A 33 -0.508 -1.174 2.862 1.00 2.09 H new ATOM 0 HG23 VAL A 33 -0.399 0.599 2.753 1.00 2.09 H new ATOM 284 N GLU A 34 -3.604 -2.067 5.008 1.00 2.15 N ATOM 285 CA GLU A 34 -4.378 -3.030 5.846 1.00 2.26 C ATOM 286 C GLU A 34 -4.134 -4.464 5.347 1.00 2.09 C ATOM 287 O GLU A 34 -3.369 -4.690 4.427 1.00 1.92 O ATOM 288 CB GLU A 34 -5.844 -2.630 5.646 1.00 2.36 C ATOM 289 CG GLU A 34 -6.623 -2.844 6.948 1.00 2.64 C ATOM 290 CD GLU A 34 -7.893 -3.649 6.659 1.00 2.94 C ATOM 291 OE1 GLU A 34 -8.823 -3.077 6.110 1.00 3.19 O ATOM 292 OE2 GLU A 34 -7.915 -4.823 6.992 1.00 3.36 O ATOM 0 H GLU A 34 -3.508 -2.339 4.030 1.00 2.15 H new ATOM 0 HA GLU A 34 -4.089 -3.003 6.897 1.00 2.26 H new ATOM 0 HB2 GLU A 34 -5.907 -1.585 5.341 1.00 2.36 H new ATOM 0 HB3 GLU A 34 -6.286 -3.223 4.845 1.00 2.36 H new ATOM 0 HG2 GLU A 34 -6.003 -3.372 7.672 1.00 2.64 H new ATOM 0 HG3 GLU A 34 -6.882 -1.882 7.391 1.00 2.64 H new ATOM 299 N LYS A 35 -4.773 -5.436 5.949 1.00 2.18 N ATOM 300 CA LYS A 35 -4.571 -6.850 5.508 1.00 2.05 C ATOM 301 C LYS A 35 -5.880 -7.465 5.009 1.00 2.07 C ATOM 302 O LYS A 35 -6.960 -6.992 5.314 1.00 2.21 O ATOM 303 CB LYS A 35 -4.090 -7.594 6.756 1.00 2.18 C ATOM 304 CG LYS A 35 -2.859 -8.439 6.414 1.00 2.03 C ATOM 305 CD LYS A 35 -1.666 -7.529 6.092 1.00 1.94 C ATOM 306 CE LYS A 35 -1.313 -6.665 7.314 1.00 2.15 C ATOM 307 NZ LYS A 35 -0.973 -7.622 8.412 1.00 2.30 N ATOM 0 H LYS A 35 -5.424 -5.312 6.724 1.00 2.18 H new ATOM 0 HA LYS A 35 -3.860 -6.911 4.684 1.00 2.05 H new ATOM 0 HB2 LYS A 35 -3.846 -6.881 7.544 1.00 2.18 H new ATOM 0 HB3 LYS A 35 -4.886 -8.233 7.139 1.00 2.18 H new ATOM 0 HG2 LYS A 35 -2.613 -9.092 7.251 1.00 2.03 H new ATOM 0 HG3 LYS A 35 -3.076 -9.083 5.561 1.00 2.03 H new ATOM 0 HD2 LYS A 35 -0.806 -8.133 5.804 1.00 1.94 H new ATOM 0 HD3 LYS A 35 -1.906 -6.890 5.242 1.00 1.94 H new ATOM 0 HE2 LYS A 35 -0.472 -6.006 7.096 1.00 2.15 H new ATOM 0 HE3 LYS A 35 -2.151 -6.029 7.597 1.00 2.15 H new ATOM 0 HZ1 LYS A 35 -0.149 -7.267 8.939 1.00 2.30 H new ATOM 0 HZ2 LYS A 35 -1.784 -7.713 9.057 1.00 2.30 H new ATOM 0 HZ3 LYS A 35 -0.749 -8.552 8.005 1.00 2.30 H new ATOM 321 N ALA A 36 -5.779 -8.533 4.260 1.00 1.95 N ATOM 322 CA ALA A 36 -7.005 -9.224 3.745 1.00 2.00 C ATOM 323 C ALA A 36 -7.791 -9.832 4.923 1.00 2.20 C ATOM 324 O ALA A 36 -7.354 -9.749 6.057 1.00 2.29 O ATOM 325 CB ALA A 36 -6.477 -10.324 2.815 1.00 1.89 C ATOM 0 H ALA A 36 -4.896 -8.960 3.980 1.00 1.95 H new ATOM 0 HA ALA A 36 -7.683 -8.548 3.224 1.00 2.00 H new ATOM 0 HB1 ALA A 36 -7.316 -10.879 2.395 1.00 1.89 H new ATOM 0 HB2 ALA A 36 -5.900 -9.872 2.008 1.00 1.89 H new ATOM 0 HB3 ALA A 36 -5.839 -11.003 3.380 1.00 1.89 H new ATOM 331 N PRO A 37 -8.921 -10.440 4.625 1.00 2.30 N ATOM 332 CA PRO A 37 -9.742 -11.066 5.696 1.00 2.49 C ATOM 333 C PRO A 37 -8.983 -12.251 6.310 1.00 2.49 C ATOM 334 O PRO A 37 -8.722 -13.241 5.652 1.00 2.46 O ATOM 335 CB PRO A 37 -11.007 -11.519 4.962 1.00 2.58 C ATOM 336 CG PRO A 37 -10.584 -11.664 3.537 1.00 2.44 C ATOM 337 CD PRO A 37 -9.536 -10.609 3.300 1.00 2.26 C ATOM 0 HA PRO A 37 -9.970 -10.396 6.525 1.00 2.49 H new ATOM 0 HB2 PRO A 37 -11.382 -12.461 5.362 1.00 2.58 H new ATOM 0 HB3 PRO A 37 -11.809 -10.788 5.065 1.00 2.58 H new ATOM 0 HG2 PRO A 37 -10.183 -12.660 3.350 1.00 2.44 H new ATOM 0 HG3 PRO A 37 -11.431 -11.529 2.864 1.00 2.44 H new ATOM 0 HD2 PRO A 37 -8.806 -10.927 2.555 1.00 2.26 H new ATOM 0 HD3 PRO A 37 -9.976 -9.679 2.939 1.00 2.26 H new ATOM 345 N LYS A 38 -8.612 -12.135 7.568 1.00 2.56 N ATOM 346 CA LYS A 38 -7.849 -13.222 8.257 1.00 2.59 C ATOM 347 C LYS A 38 -6.537 -13.518 7.512 1.00 2.44 C ATOM 348 O LYS A 38 -6.170 -14.663 7.311 1.00 2.46 O ATOM 349 CB LYS A 38 -8.782 -14.442 8.255 1.00 2.70 C ATOM 350 CG LYS A 38 -9.196 -14.780 9.690 1.00 3.01 C ATOM 351 CD LYS A 38 -7.973 -15.248 10.485 1.00 3.47 C ATOM 352 CE LYS A 38 -8.413 -15.700 11.881 1.00 4.45 C ATOM 353 NZ LYS A 38 -7.247 -16.447 12.435 1.00 4.84 N ATOM 0 H LYS A 38 -8.810 -11.321 8.150 1.00 2.56 H new ATOM 0 HA LYS A 38 -7.566 -12.943 9.272 1.00 2.59 H new ATOM 0 HB2 LYS A 38 -9.665 -14.235 7.651 1.00 2.70 H new ATOM 0 HB3 LYS A 38 -8.279 -15.296 7.801 1.00 2.70 H new ATOM 0 HG2 LYS A 38 -9.638 -13.905 10.167 1.00 3.01 H new ATOM 0 HG3 LYS A 38 -9.958 -15.559 9.685 1.00 3.01 H new ATOM 0 HD2 LYS A 38 -7.480 -16.069 9.964 1.00 3.47 H new ATOM 0 HD3 LYS A 38 -7.247 -14.439 10.565 1.00 3.47 H new ATOM 0 HE2 LYS A 38 -8.668 -14.847 12.509 1.00 4.45 H new ATOM 0 HE3 LYS A 38 -9.298 -16.334 11.829 1.00 4.45 H new ATOM 0 HZ1 LYS A 38 -7.475 -16.787 13.391 1.00 4.84 H new ATOM 0 HZ2 LYS A 38 -7.031 -17.258 11.821 1.00 4.84 H new ATOM 0 HZ3 LYS A 38 -6.421 -15.817 12.480 1.00 4.84 H new ATOM 367 N ALA A 39 -5.822 -12.489 7.104 1.00 2.32 N ATOM 368 CA ALA A 39 -4.528 -12.701 6.378 1.00 2.20 C ATOM 369 C ALA A 39 -3.489 -13.342 7.312 1.00 2.32 C ATOM 370 O ALA A 39 -3.743 -13.553 8.484 1.00 2.50 O ATOM 371 CB ALA A 39 -4.077 -11.308 5.940 1.00 2.07 C ATOM 0 H ALA A 39 -6.082 -11.513 7.244 1.00 2.32 H new ATOM 0 HA ALA A 39 -4.642 -13.373 5.527 1.00 2.20 H new ATOM 0 HB1 ALA A 39 -3.133 -11.384 5.400 1.00 2.07 H new ATOM 0 HB2 ALA A 39 -4.833 -10.869 5.289 1.00 2.07 H new ATOM 0 HB3 ALA A 39 -3.943 -10.676 6.818 1.00 2.07 H new ATOM 377 N ARG A 40 -2.325 -13.658 6.800 1.00 2.25 N ATOM 378 CA ARG A 40 -1.278 -14.298 7.658 1.00 2.41 C ATOM 379 C ARG A 40 0.136 -13.922 7.187 1.00 2.33 C ATOM 380 O ARG A 40 1.044 -14.735 7.225 1.00 2.43 O ATOM 381 CB ARG A 40 -1.512 -15.804 7.500 1.00 2.52 C ATOM 382 CG ARG A 40 -1.393 -16.185 6.021 1.00 2.42 C ATOM 383 CD ARG A 40 -0.584 -17.478 5.880 1.00 2.70 C ATOM 384 NE ARG A 40 0.775 -17.049 5.438 1.00 2.80 N ATOM 385 CZ ARG A 40 1.739 -17.928 5.347 1.00 3.10 C ATOM 386 NH1 ARG A 40 1.824 -18.701 4.295 1.00 3.70 N ATOM 387 NH2 ARG A 40 2.616 -18.034 6.312 1.00 3.19 N ATOM 0 H ARG A 40 -2.054 -13.502 5.829 1.00 2.25 H new ATOM 0 HA ARG A 40 -1.350 -13.970 8.695 1.00 2.41 H new ATOM 0 HB2 ARG A 40 -0.784 -16.360 8.090 1.00 2.52 H new ATOM 0 HB3 ARG A 40 -2.499 -16.071 7.878 1.00 2.52 H new ATOM 0 HG2 ARG A 40 -2.385 -16.317 5.590 1.00 2.42 H new ATOM 0 HG3 ARG A 40 -0.909 -15.381 5.467 1.00 2.42 H new ATOM 0 HD2 ARG A 40 -0.537 -18.017 6.826 1.00 2.70 H new ATOM 0 HD3 ARG A 40 -1.040 -18.149 5.152 1.00 2.70 H new ATOM 0 HE ARG A 40 0.952 -16.071 5.207 1.00 2.80 H new ATOM 0 HH11 ARG A 40 1.138 -18.618 3.545 1.00 3.70 H new ATOM 0 HH12 ARG A 40 2.576 -19.386 4.225 1.00 3.70 H new ATOM 0 HH21 ARG A 40 2.547 -17.432 7.132 1.00 3.19 H new ATOM 0 HH22 ARG A 40 3.369 -18.719 6.244 1.00 3.19 H new ATOM 401 N ILE A 41 0.340 -12.701 6.756 1.00 2.18 N ATOM 402 CA ILE A 41 1.707 -12.300 6.298 1.00 2.14 C ATOM 403 C ILE A 41 2.570 -11.885 7.506 1.00 2.34 C ATOM 404 O ILE A 41 2.142 -11.981 8.643 1.00 2.51 O ATOM 405 CB ILE A 41 1.541 -11.164 5.251 1.00 1.91 C ATOM 406 CG1 ILE A 41 0.751 -9.947 5.783 1.00 1.87 C ATOM 407 CG2 ILE A 41 0.811 -11.720 4.029 1.00 1.75 C ATOM 408 CD1 ILE A 41 1.582 -9.184 6.807 1.00 2.24 C ATOM 0 H ILE A 41 -0.372 -11.972 6.702 1.00 2.18 H new ATOM 0 HA ILE A 41 2.230 -13.132 5.826 1.00 2.14 H new ATOM 0 HB ILE A 41 2.543 -10.815 5.003 1.00 1.91 H new ATOM 0 HG12 ILE A 41 0.485 -9.288 4.957 1.00 1.87 H new ATOM 0 HG13 ILE A 41 -0.182 -10.281 6.237 1.00 1.87 H new ATOM 0 HG21 ILE A 41 0.689 -10.930 3.288 1.00 1.75 H new ATOM 0 HG22 ILE A 41 1.392 -12.536 3.598 1.00 1.75 H new ATOM 0 HG23 ILE A 41 -0.169 -12.091 4.328 1.00 1.75 H new ATOM 0 HD11 ILE A 41 1.013 -8.329 7.173 1.00 2.24 H new ATOM 0 HD12 ILE A 41 1.826 -9.842 7.641 1.00 2.24 H new ATOM 0 HD13 ILE A 41 2.503 -8.834 6.340 1.00 2.24 H new ATOM 420 N GLY A 42 3.800 -11.488 7.271 1.00 2.36 N ATOM 421 CA GLY A 42 4.726 -11.128 8.401 1.00 2.61 C ATOM 422 C GLY A 42 4.201 -9.959 9.245 1.00 2.68 C ATOM 423 O GLY A 42 3.104 -9.471 9.058 1.00 2.57 O ATOM 0 H GLY A 42 4.207 -11.397 6.340 1.00 2.36 H new ATOM 0 HA2 GLY A 42 4.867 -11.999 9.041 1.00 2.61 H new ATOM 0 HA3 GLY A 42 5.704 -10.868 7.996 1.00 2.61 H new ATOM 427 N ASP A 43 4.997 -9.518 10.188 1.00 2.94 N ATOM 428 CA ASP A 43 4.585 -8.385 11.079 1.00 3.08 C ATOM 429 C ASP A 43 4.556 -7.065 10.294 1.00 2.98 C ATOM 430 O ASP A 43 4.941 -7.013 9.142 1.00 2.88 O ATOM 431 CB ASP A 43 5.655 -8.336 12.176 1.00 3.46 C ATOM 432 CG ASP A 43 5.066 -7.722 13.451 1.00 3.70 C ATOM 433 OD1 ASP A 43 4.445 -8.452 14.207 1.00 3.98 O ATOM 434 OD2 ASP A 43 5.246 -6.531 13.650 1.00 3.85 O ATOM 0 H ASP A 43 5.924 -9.897 10.381 1.00 2.94 H new ATOM 0 HA ASP A 43 3.585 -8.527 11.488 1.00 3.08 H new ATOM 0 HB2 ASP A 43 6.023 -9.341 12.382 1.00 3.46 H new ATOM 0 HB3 ASP A 43 6.508 -7.747 11.838 1.00 3.46 H new ATOM 439 N LEU A 44 4.090 -6.001 10.912 1.00 3.09 N ATOM 440 CA LEU A 44 4.015 -4.684 10.205 1.00 3.04 C ATOM 441 C LEU A 44 4.539 -3.551 11.094 1.00 3.34 C ATOM 442 O LEU A 44 4.243 -3.488 12.274 1.00 3.53 O ATOM 443 CB LEU A 44 2.520 -4.471 9.930 1.00 2.83 C ATOM 444 CG LEU A 44 2.224 -4.551 8.426 1.00 3.12 C ATOM 445 CD1 LEU A 44 3.076 -3.527 7.667 1.00 3.09 C ATOM 446 CD2 LEU A 44 2.534 -5.960 7.913 1.00 3.82 C ATOM 0 H LEU A 44 3.759 -5.991 11.877 1.00 3.09 H new ATOM 0 HA LEU A 44 4.619 -4.682 9.298 1.00 3.04 H new ATOM 0 HB2 LEU A 44 1.937 -5.224 10.460 1.00 2.83 H new ATOM 0 HB3 LEU A 44 2.210 -3.499 10.315 1.00 2.83 H new ATOM 0 HG LEU A 44 1.170 -4.329 8.260 1.00 3.12 H new ATOM 0 HD11 LEU A 44 2.859 -3.592 6.601 1.00 3.09 H new ATOM 0 HD12 LEU A 44 2.844 -2.524 8.025 1.00 3.09 H new ATOM 0 HD13 LEU A 44 4.132 -3.736 7.835 1.00 3.09 H new ATOM 0 HD21 LEU A 44 2.323 -6.013 6.845 1.00 3.82 H new ATOM 0 HD22 LEU A 44 3.586 -6.187 8.086 1.00 3.82 H new ATOM 0 HD23 LEU A 44 1.914 -6.684 8.442 1.00 3.82 H new ATOM 458 N ASP A 45 5.300 -2.645 10.527 1.00 3.48 N ATOM 459 CA ASP A 45 5.831 -1.494 11.322 1.00 3.83 C ATOM 460 C ASP A 45 4.801 -0.351 11.337 1.00 3.66 C ATOM 461 O ASP A 45 4.573 0.271 12.358 1.00 3.83 O ATOM 462 CB ASP A 45 7.122 -1.065 10.606 1.00 4.12 C ATOM 463 CG ASP A 45 8.044 -0.348 11.595 1.00 4.63 C ATOM 464 OD1 ASP A 45 7.866 0.844 11.781 1.00 5.01 O ATOM 465 OD2 ASP A 45 8.914 -1.002 12.147 1.00 4.94 O ATOM 0 H ASP A 45 5.576 -2.654 9.545 1.00 3.48 H new ATOM 0 HA ASP A 45 6.025 -1.760 12.361 1.00 3.83 H new ATOM 0 HB2 ASP A 45 7.626 -1.937 10.190 1.00 4.12 H new ATOM 0 HB3 ASP A 45 6.885 -0.406 9.771 1.00 4.12 H new ATOM 470 N LYS A 46 4.175 -0.076 10.209 1.00 3.37 N ATOM 471 CA LYS A 46 3.152 1.017 10.146 1.00 3.25 C ATOM 472 C LYS A 46 2.128 0.727 9.034 1.00 2.98 C ATOM 473 O LYS A 46 2.399 -0.016 8.108 1.00 2.78 O ATOM 474 CB LYS A 46 3.942 2.297 9.842 1.00 3.16 C ATOM 475 CG LYS A 46 4.720 2.150 8.528 1.00 3.52 C ATOM 476 CD LYS A 46 6.207 1.946 8.834 1.00 3.73 C ATOM 477 CE LYS A 46 6.961 3.264 8.632 1.00 4.21 C ATOM 478 NZ LYS A 46 8.284 3.060 9.289 1.00 4.11 N ATOM 0 H LYS A 46 4.333 -0.566 9.328 1.00 3.37 H new ATOM 0 HA LYS A 46 2.589 1.106 11.075 1.00 3.25 H new ATOM 0 HB2 LYS A 46 3.260 3.145 9.775 1.00 3.16 H new ATOM 0 HB3 LYS A 46 4.633 2.508 10.659 1.00 3.16 H new ATOM 0 HG2 LYS A 46 4.336 1.304 7.958 1.00 3.52 H new ATOM 0 HG3 LYS A 46 4.583 3.038 7.911 1.00 3.52 H new ATOM 0 HD2 LYS A 46 6.333 1.597 9.859 1.00 3.73 H new ATOM 0 HD3 LYS A 46 6.620 1.176 8.182 1.00 3.73 H new ATOM 0 HE2 LYS A 46 7.078 3.493 7.573 1.00 4.21 H new ATOM 0 HE3 LYS A 46 6.423 4.099 9.081 1.00 4.21 H new ATOM 0 HZ1 LYS A 46 8.638 3.970 9.647 1.00 4.11 H new ATOM 0 HZ2 LYS A 46 8.179 2.394 10.081 1.00 4.11 H new ATOM 0 HZ3 LYS A 46 8.959 2.674 8.598 1.00 4.11 H new ATOM 492 N LYS A 47 0.953 1.307 9.123 1.00 3.00 N ATOM 493 CA LYS A 47 -0.091 1.068 8.073 1.00 2.76 C ATOM 494 C LYS A 47 -0.424 2.379 7.350 1.00 2.73 C ATOM 495 O LYS A 47 -1.572 2.682 7.080 1.00 2.72 O ATOM 496 CB LYS A 47 -1.310 0.540 8.838 1.00 2.87 C ATOM 497 CG LYS A 47 -1.120 -0.948 9.150 1.00 3.14 C ATOM 498 CD LYS A 47 -0.500 -1.107 10.539 1.00 3.32 C ATOM 499 CE LYS A 47 -0.919 -2.452 11.138 1.00 3.77 C ATOM 500 NZ LYS A 47 -0.594 -2.352 12.591 1.00 4.15 N ATOM 0 H LYS A 47 0.672 1.935 9.876 1.00 3.00 H new ATOM 0 HA LYS A 47 0.241 0.365 7.309 1.00 2.76 H new ATOM 0 HB2 LYS A 47 -1.442 1.101 9.763 1.00 2.87 H new ATOM 0 HB3 LYS A 47 -2.214 0.685 8.246 1.00 2.87 H new ATOM 0 HG2 LYS A 47 -2.079 -1.464 9.108 1.00 3.14 H new ATOM 0 HG3 LYS A 47 -0.477 -1.408 8.399 1.00 3.14 H new ATOM 0 HD2 LYS A 47 0.586 -1.050 10.472 1.00 3.32 H new ATOM 0 HD3 LYS A 47 -0.822 -0.292 11.188 1.00 3.32 H new ATOM 0 HE2 LYS A 47 -1.982 -2.637 10.984 1.00 3.77 H new ATOM 0 HE3 LYS A 47 -0.381 -3.276 10.670 1.00 3.77 H new ATOM 0 HZ1 LYS A 47 -0.855 -3.239 13.067 1.00 4.15 H new ATOM 0 HZ2 LYS A 47 0.425 -2.183 12.708 1.00 4.15 H new ATOM 0 HZ3 LYS A 47 -1.126 -1.564 13.012 1.00 4.15 H new ATOM 514 N LYS A 48 0.583 3.150 7.026 1.00 2.72 N ATOM 515 CA LYS A 48 0.353 4.443 6.309 1.00 2.71 C ATOM 516 C LYS A 48 1.641 4.869 5.595 1.00 2.62 C ATOM 517 O LYS A 48 2.608 5.262 6.223 1.00 2.78 O ATOM 518 CB LYS A 48 -0.047 5.460 7.394 1.00 3.01 C ATOM 519 CG LYS A 48 0.999 5.492 8.517 1.00 3.32 C ATOM 520 CD LYS A 48 0.320 5.858 9.838 1.00 3.29 C ATOM 521 CE LYS A 48 1.375 5.954 10.949 1.00 3.40 C ATOM 522 NZ LYS A 48 1.856 7.367 10.915 1.00 4.11 N ATOM 0 H LYS A 48 1.560 2.939 7.228 1.00 2.72 H new ATOM 0 HA LYS A 48 -0.424 4.365 5.549 1.00 2.71 H new ATOM 0 HB2 LYS A 48 -0.144 6.452 6.952 1.00 3.01 H new ATOM 0 HB3 LYS A 48 -1.022 5.197 7.805 1.00 3.01 H new ATOM 0 HG2 LYS A 48 1.485 4.520 8.603 1.00 3.32 H new ATOM 0 HG3 LYS A 48 1.777 6.218 8.283 1.00 3.32 H new ATOM 0 HD2 LYS A 48 -0.205 6.808 9.738 1.00 3.29 H new ATOM 0 HD3 LYS A 48 -0.427 5.107 10.095 1.00 3.29 H new ATOM 0 HE2 LYS A 48 0.947 5.708 11.921 1.00 3.40 H new ATOM 0 HE3 LYS A 48 2.194 5.256 10.775 1.00 3.40 H new ATOM 0 HZ1 LYS A 48 2.580 7.505 11.649 1.00 4.11 H new ATOM 0 HZ2 LYS A 48 2.266 7.572 9.981 1.00 4.11 H new ATOM 0 HZ3 LYS A 48 1.058 8.010 11.091 1.00 4.11 H new ATOM 536 N TYR A 49 1.670 4.775 4.288 1.00 2.39 N ATOM 537 CA TYR A 49 2.910 5.155 3.543 1.00 2.33 C ATOM 538 C TYR A 49 2.730 6.493 2.827 1.00 2.36 C ATOM 539 O TYR A 49 1.708 6.760 2.226 1.00 2.31 O ATOM 540 CB TYR A 49 3.138 4.044 2.513 1.00 2.04 C ATOM 541 CG TYR A 49 3.483 2.748 3.209 1.00 2.05 C ATOM 542 CD1 TYR A 49 2.480 1.991 3.827 1.00 2.10 C ATOM 543 CD2 TYR A 49 4.809 2.309 3.240 1.00 2.05 C ATOM 544 CE1 TYR A 49 2.804 0.797 4.476 1.00 2.13 C ATOM 545 CE2 TYR A 49 5.134 1.112 3.889 1.00 2.10 C ATOM 546 CZ TYR A 49 4.131 0.356 4.508 1.00 2.13 C ATOM 547 OH TYR A 49 4.448 -0.822 5.150 1.00 2.21 O ATOM 0 H TYR A 49 0.894 4.454 3.708 1.00 2.39 H new ATOM 0 HA TYR A 49 3.755 5.265 4.223 1.00 2.33 H new ATOM 0 HB2 TYR A 49 2.242 3.912 1.906 1.00 2.04 H new ATOM 0 HB3 TYR A 49 3.943 4.327 1.835 1.00 2.04 H new ATOM 0 HD1 TYR A 49 1.455 2.330 3.802 1.00 2.10 H new ATOM 0 HD2 TYR A 49 5.583 2.893 2.764 1.00 2.05 H new ATOM 0 HE1 TYR A 49 2.030 0.214 4.953 1.00 2.13 H new ATOM 0 HE2 TYR A 49 6.159 0.772 3.912 1.00 2.10 H new ATOM 0 HH TYR A 49 3.685 -1.436 5.103 1.00 2.21 H new ATOM 557 N LEU A 50 3.742 7.314 2.869 1.00 2.47 N ATOM 558 CA LEU A 50 3.686 8.633 2.174 1.00 2.53 C ATOM 559 C LEU A 50 4.583 8.560 0.939 1.00 2.41 C ATOM 560 O LEU A 50 5.775 8.802 1.005 1.00 2.51 O ATOM 561 CB LEU A 50 4.213 9.658 3.187 1.00 2.79 C ATOM 562 CG LEU A 50 3.053 10.517 3.701 1.00 2.68 C ATOM 563 CD1 LEU A 50 2.336 9.782 4.838 1.00 3.07 C ATOM 564 CD2 LEU A 50 3.598 11.850 4.220 1.00 2.85 C ATOM 0 H LEU A 50 4.616 7.126 3.360 1.00 2.47 H new ATOM 0 HA LEU A 50 2.683 8.906 1.845 1.00 2.53 H new ATOM 0 HB2 LEU A 50 4.696 9.146 4.019 1.00 2.79 H new ATOM 0 HB3 LEU A 50 4.968 10.291 2.720 1.00 2.79 H new ATOM 0 HG LEU A 50 2.350 10.702 2.889 1.00 2.68 H new ATOM 0 HD11 LEU A 50 1.511 10.394 5.203 1.00 3.07 H new ATOM 0 HD12 LEU A 50 1.948 8.832 4.470 1.00 3.07 H new ATOM 0 HD13 LEU A 50 3.038 9.597 5.651 1.00 3.07 H new ATOM 0 HD21 LEU A 50 2.774 12.462 4.586 1.00 2.85 H new ATOM 0 HD22 LEU A 50 4.301 11.664 5.032 1.00 2.85 H new ATOM 0 HD23 LEU A 50 4.108 12.374 3.412 1.00 2.85 H new ATOM 576 N VAL A 51 4.018 8.195 -0.182 1.00 2.23 N ATOM 577 CA VAL A 51 4.832 8.068 -1.432 1.00 2.14 C ATOM 578 C VAL A 51 4.430 9.150 -2.442 1.00 2.17 C ATOM 579 O VAL A 51 3.287 9.550 -2.487 1.00 2.22 O ATOM 580 CB VAL A 51 4.533 6.658 -1.976 1.00 1.94 C ATOM 581 CG1 VAL A 51 5.128 5.605 -1.031 1.00 1.93 C ATOM 582 CG2 VAL A 51 3.018 6.436 -2.095 1.00 1.78 C ATOM 0 H VAL A 51 3.027 7.979 -0.288 1.00 2.23 H new ATOM 0 HA VAL A 51 5.897 8.201 -1.244 1.00 2.14 H new ATOM 0 HB VAL A 51 4.982 6.564 -2.965 1.00 1.94 H new ATOM 0 HG11 VAL A 51 4.916 4.608 -1.417 1.00 1.93 H new ATOM 0 HG12 VAL A 51 6.207 5.745 -0.963 1.00 1.93 H new ATOM 0 HG13 VAL A 51 4.685 5.713 -0.041 1.00 1.93 H new ATOM 0 HG21 VAL A 51 2.826 5.435 -2.481 1.00 1.78 H new ATOM 0 HG22 VAL A 51 2.557 6.541 -1.113 1.00 1.78 H new ATOM 0 HG23 VAL A 51 2.594 7.174 -2.776 1.00 1.78 H new ATOM 592 N PRO A 52 5.388 9.592 -3.222 1.00 2.16 N ATOM 593 CA PRO A 52 5.120 10.648 -4.237 1.00 2.21 C ATOM 594 C PRO A 52 4.197 10.118 -5.344 1.00 2.05 C ATOM 595 O PRO A 52 4.144 8.931 -5.609 1.00 1.88 O ATOM 596 CB PRO A 52 6.508 10.988 -4.776 1.00 2.26 C ATOM 597 CG PRO A 52 7.329 9.770 -4.512 1.00 2.17 C ATOM 598 CD PRO A 52 6.792 9.159 -3.246 1.00 2.15 C ATOM 0 HA PRO A 52 4.609 11.519 -3.826 1.00 2.21 H new ATOM 0 HB2 PRO A 52 6.473 11.218 -5.841 1.00 2.26 H new ATOM 0 HB3 PRO A 52 6.924 11.862 -4.274 1.00 2.26 H new ATOM 0 HG2 PRO A 52 7.259 9.067 -5.342 1.00 2.17 H new ATOM 0 HG3 PRO A 52 8.382 10.028 -4.402 1.00 2.17 H new ATOM 0 HD2 PRO A 52 6.876 8.072 -3.258 1.00 2.15 H new ATOM 0 HD3 PRO A 52 7.335 9.511 -2.369 1.00 2.15 H new ATOM 606 N SER A 53 3.462 10.998 -5.978 1.00 2.14 N ATOM 607 CA SER A 53 2.519 10.574 -7.062 1.00 2.07 C ATOM 608 C SER A 53 3.268 9.959 -8.261 1.00 1.99 C ATOM 609 O SER A 53 2.686 9.233 -9.046 1.00 1.95 O ATOM 610 CB SER A 53 1.799 11.856 -7.487 1.00 2.25 C ATOM 611 OG SER A 53 0.901 12.257 -6.458 1.00 2.05 O ATOM 0 H SER A 53 3.474 12.000 -5.790 1.00 2.14 H new ATOM 0 HA SER A 53 1.832 9.805 -6.709 1.00 2.07 H new ATOM 0 HB2 SER A 53 2.524 12.646 -7.680 1.00 2.25 H new ATOM 0 HB3 SER A 53 1.254 11.689 -8.416 1.00 2.25 H new ATOM 0 HG SER A 53 1.386 12.782 -5.787 1.00 2.05 H new ATOM 617 N ASP A 54 4.540 10.248 -8.413 1.00 2.02 N ATOM 618 CA ASP A 54 5.309 9.685 -9.569 1.00 2.02 C ATOM 619 C ASP A 54 5.816 8.260 -9.281 1.00 1.88 C ATOM 620 O ASP A 54 6.280 7.582 -10.179 1.00 1.90 O ATOM 621 CB ASP A 54 6.493 10.639 -9.761 1.00 2.16 C ATOM 622 CG ASP A 54 7.010 10.536 -11.200 1.00 2.28 C ATOM 623 OD1 ASP A 54 6.454 11.205 -12.057 1.00 2.76 O ATOM 624 OD2 ASP A 54 7.952 9.793 -11.419 1.00 2.36 O ATOM 0 H ASP A 54 5.077 10.848 -7.788 1.00 2.02 H new ATOM 0 HA ASP A 54 4.682 9.607 -10.457 1.00 2.02 H new ATOM 0 HB2 ASP A 54 6.186 11.663 -9.547 1.00 2.16 H new ATOM 0 HB3 ASP A 54 7.290 10.392 -9.059 1.00 2.16 H new ATOM 629 N LEU A 55 5.743 7.796 -8.049 1.00 1.79 N ATOM 630 CA LEU A 55 6.237 6.413 -7.743 1.00 1.68 C ATOM 631 C LEU A 55 5.445 5.365 -8.521 1.00 1.59 C ATOM 632 O LEU A 55 4.247 5.471 -8.677 1.00 1.56 O ATOM 633 CB LEU A 55 6.013 6.193 -6.246 1.00 1.61 C ATOM 634 CG LEU A 55 7.341 6.304 -5.492 1.00 1.72 C ATOM 635 CD1 LEU A 55 7.194 5.677 -4.102 1.00 1.69 C ATOM 636 CD2 LEU A 55 8.457 5.568 -6.247 1.00 1.74 C ATOM 0 H LEU A 55 5.367 8.311 -7.253 1.00 1.79 H new ATOM 0 HA LEU A 55 7.286 6.316 -8.023 1.00 1.68 H new ATOM 0 HB2 LEU A 55 5.307 6.930 -5.864 1.00 1.61 H new ATOM 0 HB3 LEU A 55 5.571 5.211 -6.077 1.00 1.61 H new ATOM 0 HG LEU A 55 7.601 7.359 -5.408 1.00 1.72 H new ATOM 0 HD11 LEU A 55 8.139 5.756 -3.565 1.00 1.69 H new ATOM 0 HD12 LEU A 55 6.417 6.202 -3.547 1.00 1.69 H new ATOM 0 HD13 LEU A 55 6.921 4.627 -4.204 1.00 1.69 H new ATOM 0 HD21 LEU A 55 9.392 5.659 -5.694 1.00 1.74 H new ATOM 0 HD22 LEU A 55 8.196 4.514 -6.346 1.00 1.74 H new ATOM 0 HD23 LEU A 55 8.577 6.007 -7.237 1.00 1.74 H new ATOM 648 N THR A 56 6.114 4.346 -8.986 1.00 1.59 N ATOM 649 CA THR A 56 5.414 3.261 -9.742 1.00 1.57 C ATOM 650 C THR A 56 4.971 2.151 -8.778 1.00 1.40 C ATOM 651 O THR A 56 5.251 2.197 -7.591 1.00 1.31 O ATOM 652 CB THR A 56 6.435 2.721 -10.753 1.00 1.74 C ATOM 653 OG1 THR A 56 7.706 2.584 -10.130 1.00 1.75 O ATOM 654 CG2 THR A 56 6.546 3.682 -11.939 1.00 1.93 C ATOM 0 H THR A 56 7.120 4.215 -8.876 1.00 1.59 H new ATOM 0 HA THR A 56 4.520 3.631 -10.244 1.00 1.57 H new ATOM 0 HB THR A 56 6.103 1.746 -11.108 1.00 1.74 H new ATOM 0 HG1 THR A 56 8.353 2.237 -10.779 1.00 1.75 H new ATOM 0 HG21 THR A 56 7.272 3.295 -12.654 1.00 1.93 H new ATOM 0 HG22 THR A 56 5.574 3.776 -12.423 1.00 1.93 H new ATOM 0 HG23 THR A 56 6.871 4.660 -11.585 1.00 1.93 H new ATOM 662 N VAL A 57 4.291 1.146 -9.279 1.00 1.40 N ATOM 663 CA VAL A 57 3.839 0.022 -8.396 1.00 1.27 C ATOM 664 C VAL A 57 5.055 -0.791 -7.916 1.00 1.31 C ATOM 665 O VAL A 57 5.103 -1.230 -6.783 1.00 1.20 O ATOM 666 CB VAL A 57 2.919 -0.841 -9.270 1.00 1.34 C ATOM 667 CG1 VAL A 57 2.558 -2.135 -8.533 1.00 1.29 C ATOM 668 CG2 VAL A 57 1.634 -0.064 -9.578 1.00 1.34 C ATOM 0 H VAL A 57 4.030 1.055 -10.261 1.00 1.40 H new ATOM 0 HA VAL A 57 3.322 0.380 -7.506 1.00 1.27 H new ATOM 0 HB VAL A 57 3.437 -1.086 -10.197 1.00 1.34 H new ATOM 0 HG11 VAL A 57 1.905 -2.741 -9.161 1.00 1.29 H new ATOM 0 HG12 VAL A 57 3.468 -2.693 -8.311 1.00 1.29 H new ATOM 0 HG13 VAL A 57 2.044 -1.893 -7.603 1.00 1.29 H new ATOM 0 HG21 VAL A 57 0.979 -0.675 -10.199 1.00 1.34 H new ATOM 0 HG22 VAL A 57 1.125 0.182 -8.646 1.00 1.34 H new ATOM 0 HG23 VAL A 57 1.883 0.855 -10.109 1.00 1.34 H new ATOM 678 N GLY A 58 6.033 -0.987 -8.774 1.00 1.51 N ATOM 679 CA GLY A 58 7.251 -1.768 -8.383 1.00 1.61 C ATOM 680 C GLY A 58 7.979 -1.074 -7.222 1.00 1.56 C ATOM 681 O GLY A 58 8.481 -1.727 -6.327 1.00 1.58 O ATOM 0 H GLY A 58 6.038 -0.637 -9.732 1.00 1.51 H new ATOM 0 HA2 GLY A 58 6.965 -2.778 -8.090 1.00 1.61 H new ATOM 0 HA3 GLY A 58 7.921 -1.862 -9.237 1.00 1.61 H new ATOM 685 N GLN A 59 8.036 0.241 -7.224 1.00 1.56 N ATOM 686 CA GLN A 59 8.728 0.970 -6.110 1.00 1.59 C ATOM 687 C GLN A 59 7.945 0.785 -4.810 1.00 1.44 C ATOM 688 O GLN A 59 8.498 0.421 -3.782 1.00 1.52 O ATOM 689 CB GLN A 59 8.732 2.448 -6.515 1.00 1.65 C ATOM 690 CG GLN A 59 9.533 2.628 -7.802 1.00 1.79 C ATOM 691 CD GLN A 59 10.985 2.975 -7.461 1.00 2.07 C ATOM 692 OE1 GLN A 59 11.339 4.138 -7.378 1.00 2.57 O ATOM 693 NE2 GLN A 59 11.845 2.017 -7.256 1.00 2.25 N ATOM 0 H GLN A 59 7.634 0.838 -7.947 1.00 1.56 H new ATOM 0 HA GLN A 59 9.739 0.597 -5.947 1.00 1.59 H new ATOM 0 HB2 GLN A 59 7.710 2.798 -6.660 1.00 1.65 H new ATOM 0 HB3 GLN A 59 9.166 3.052 -5.718 1.00 1.65 H new ATOM 0 HG2 GLN A 59 9.497 1.714 -8.395 1.00 1.79 H new ATOM 0 HG3 GLN A 59 9.092 3.419 -8.408 1.00 1.79 H new ATOM 0 HE21 GLN A 59 11.550 1.043 -7.325 1.00 2.25 H new ATOM 0 HE22 GLN A 59 12.813 2.241 -7.026 1.00 2.25 H new ATOM 702 N PHE A 60 6.653 1.016 -4.853 1.00 1.28 N ATOM 703 CA PHE A 60 5.827 0.832 -3.624 1.00 1.19 C ATOM 704 C PHE A 60 5.905 -0.629 -3.157 1.00 1.16 C ATOM 705 O PHE A 60 5.925 -0.902 -1.976 1.00 1.24 O ATOM 706 CB PHE A 60 4.392 1.212 -4.007 1.00 1.06 C ATOM 707 CG PHE A 60 3.550 1.257 -2.750 1.00 1.06 C ATOM 708 CD1 PHE A 60 3.909 2.110 -1.698 1.00 1.26 C ATOM 709 CD2 PHE A 60 2.430 0.429 -2.626 1.00 0.97 C ATOM 710 CE1 PHE A 60 3.146 2.137 -0.525 1.00 1.39 C ATOM 711 CE2 PHE A 60 1.672 0.453 -1.450 1.00 1.09 C ATOM 712 CZ PHE A 60 2.034 1.306 -0.401 1.00 1.30 C ATOM 0 H PHE A 60 6.141 1.322 -5.681 1.00 1.28 H new ATOM 0 HA PHE A 60 6.182 1.452 -2.801 1.00 1.19 H new ATOM 0 HB2 PHE A 60 4.378 2.181 -4.506 1.00 1.06 H new ATOM 0 HB3 PHE A 60 3.984 0.486 -4.710 1.00 1.06 H new ATOM 0 HD1 PHE A 60 4.776 2.748 -1.792 1.00 1.26 H new ATOM 0 HD2 PHE A 60 2.150 -0.228 -3.436 1.00 0.97 H new ATOM 0 HE1 PHE A 60 3.418 2.800 0.282 1.00 1.39 H new ATOM 0 HE2 PHE A 60 0.807 -0.187 -1.352 1.00 1.09 H new ATOM 0 HZ PHE A 60 1.450 1.320 0.507 1.00 1.30 H new ATOM 722 N TYR A 61 5.975 -1.570 -4.073 1.00 1.12 N ATOM 723 CA TYR A 61 6.079 -3.004 -3.666 1.00 1.17 C ATOM 724 C TYR A 61 7.365 -3.243 -2.865 1.00 1.34 C ATOM 725 O TYR A 61 7.417 -4.114 -2.019 1.00 1.39 O ATOM 726 CB TYR A 61 6.104 -3.796 -4.977 1.00 1.22 C ATOM 727 CG TYR A 61 5.056 -4.881 -4.927 1.00 1.21 C ATOM 728 CD1 TYR A 61 5.237 -5.996 -4.098 1.00 1.32 C ATOM 729 CD2 TYR A 61 3.898 -4.767 -5.704 1.00 1.15 C ATOM 730 CE1 TYR A 61 4.259 -6.998 -4.047 1.00 1.33 C ATOM 731 CE2 TYR A 61 2.921 -5.769 -5.655 1.00 1.19 C ATOM 732 CZ TYR A 61 3.101 -6.884 -4.826 1.00 1.27 C ATOM 733 OH TYR A 61 2.136 -7.870 -4.774 1.00 1.33 O ATOM 0 H TYR A 61 5.964 -1.404 -5.079 1.00 1.12 H new ATOM 0 HA TYR A 61 5.250 -3.307 -3.026 1.00 1.17 H new ATOM 0 HB2 TYR A 61 5.915 -3.131 -5.820 1.00 1.22 H new ATOM 0 HB3 TYR A 61 7.090 -4.234 -5.131 1.00 1.22 H new ATOM 0 HD1 TYR A 61 6.131 -6.083 -3.498 1.00 1.32 H new ATOM 0 HD2 TYR A 61 3.758 -3.906 -6.341 1.00 1.15 H new ATOM 0 HE1 TYR A 61 4.398 -7.857 -3.408 1.00 1.33 H new ATOM 0 HE2 TYR A 61 2.028 -5.682 -6.257 1.00 1.19 H new ATOM 0 HH TYR A 61 1.397 -7.636 -5.374 1.00 1.33 H new ATOM 743 N PHE A 62 8.398 -2.473 -3.119 1.00 1.49 N ATOM 744 CA PHE A 62 9.675 -2.657 -2.368 1.00 1.70 C ATOM 745 C PHE A 62 9.553 -2.101 -0.941 1.00 1.76 C ATOM 746 O PHE A 62 9.992 -2.732 0.005 1.00 1.88 O ATOM 747 CB PHE A 62 10.731 -1.879 -3.159 1.00 1.86 C ATOM 748 CG PHE A 62 12.081 -2.537 -2.976 1.00 2.15 C ATOM 749 CD1 PHE A 62 12.443 -3.634 -3.771 1.00 2.68 C ATOM 750 CD2 PHE A 62 12.971 -2.051 -2.011 1.00 2.45 C ATOM 751 CE1 PHE A 62 13.690 -4.242 -3.596 1.00 2.94 C ATOM 752 CE2 PHE A 62 14.220 -2.659 -1.839 1.00 2.71 C ATOM 753 CZ PHE A 62 14.580 -3.756 -2.631 1.00 2.71 C ATOM 0 H PHE A 62 8.409 -1.727 -3.814 1.00 1.49 H new ATOM 0 HA PHE A 62 9.935 -3.711 -2.272 1.00 1.70 H new ATOM 0 HB2 PHE A 62 10.466 -1.856 -4.216 1.00 1.86 H new ATOM 0 HB3 PHE A 62 10.769 -0.845 -2.817 1.00 1.86 H new ATOM 0 HD1 PHE A 62 11.759 -4.009 -4.518 1.00 2.68 H new ATOM 0 HD2 PHE A 62 12.694 -1.206 -1.398 1.00 2.45 H new ATOM 0 HE1 PHE A 62 13.967 -5.089 -4.207 1.00 2.94 H new ATOM 0 HE2 PHE A 62 14.906 -2.282 -1.095 1.00 2.71 H new ATOM 0 HZ PHE A 62 15.543 -4.227 -2.498 1.00 2.71 H new ATOM 763 N LEU A 63 8.985 -0.925 -0.773 1.00 1.74 N ATOM 764 CA LEU A 63 8.877 -0.353 0.619 1.00 1.89 C ATOM 765 C LEU A 63 7.930 -1.175 1.520 1.00 1.84 C ATOM 766 O LEU A 63 8.150 -1.246 2.714 1.00 2.06 O ATOM 767 CB LEU A 63 8.424 1.119 0.501 1.00 1.90 C ATOM 768 CG LEU A 63 7.129 1.280 -0.310 1.00 1.67 C ATOM 769 CD1 LEU A 63 5.912 1.151 0.612 1.00 1.61 C ATOM 770 CD2 LEU A 63 7.129 2.670 -0.954 1.00 1.83 C ATOM 0 H LEU A 63 8.599 -0.346 -1.519 1.00 1.74 H new ATOM 0 HA LEU A 63 9.852 -0.401 1.104 1.00 1.89 H new ATOM 0 HB2 LEU A 63 8.275 1.530 1.500 1.00 1.90 H new ATOM 0 HB3 LEU A 63 9.216 1.702 0.031 1.00 1.90 H new ATOM 0 HG LEU A 63 7.077 0.505 -1.075 1.00 1.67 H new ATOM 0 HD11 LEU A 63 4.999 1.267 0.028 1.00 1.61 H new ATOM 0 HD12 LEU A 63 5.917 0.170 1.086 1.00 1.61 H new ATOM 0 HD13 LEU A 63 5.953 1.925 1.379 1.00 1.61 H new ATOM 0 HD21 LEU A 63 6.216 2.802 -1.534 1.00 1.83 H new ATOM 0 HD22 LEU A 63 7.178 3.432 -0.176 1.00 1.83 H new ATOM 0 HD23 LEU A 63 7.994 2.767 -1.611 1.00 1.83 H new ATOM 782 N ILE A 64 6.912 -1.830 0.987 1.00 1.58 N ATOM 783 CA ILE A 64 6.034 -2.663 1.894 1.00 1.59 C ATOM 784 C ILE A 64 6.683 -4.031 2.095 1.00 1.66 C ATOM 785 O ILE A 64 6.600 -4.609 3.157 1.00 1.82 O ATOM 786 CB ILE A 64 4.658 -2.883 1.235 1.00 1.35 C ATOM 787 CG1 ILE A 64 4.222 -1.683 0.393 1.00 1.26 C ATOM 788 CG2 ILE A 64 3.622 -3.129 2.340 1.00 1.48 C ATOM 789 CD1 ILE A 64 2.760 -1.865 -0.029 1.00 1.15 C ATOM 0 H ILE A 64 6.656 -1.827 -0.000 1.00 1.58 H new ATOM 0 HA ILE A 64 5.914 -2.145 2.846 1.00 1.59 H new ATOM 0 HB ILE A 64 4.734 -3.741 0.567 1.00 1.35 H new ATOM 0 HG12 ILE A 64 4.335 -0.762 0.965 1.00 1.26 H new ATOM 0 HG13 ILE A 64 4.858 -1.592 -0.487 1.00 1.26 H new ATOM 0 HG21 ILE A 64 2.641 -3.287 1.891 1.00 1.48 H new ATOM 0 HG22 ILE A 64 3.905 -4.012 2.914 1.00 1.48 H new ATOM 0 HG23 ILE A 64 3.583 -2.264 3.001 1.00 1.48 H new ATOM 0 HD11 ILE A 64 2.446 -1.011 -0.629 1.00 1.15 H new ATOM 0 HD12 ILE A 64 2.662 -2.778 -0.617 1.00 1.15 H new ATOM 0 HD13 ILE A 64 2.131 -1.935 0.859 1.00 1.15 H new ATOM 801 N ARG A 65 7.312 -4.552 1.062 1.00 1.61 N ATOM 802 CA ARG A 65 7.975 -5.902 1.151 1.00 1.75 C ATOM 803 C ARG A 65 8.704 -6.077 2.493 1.00 2.00 C ATOM 804 O ARG A 65 8.439 -7.007 3.228 1.00 2.06 O ATOM 805 CB ARG A 65 8.979 -5.933 -0.008 1.00 1.84 C ATOM 806 CG ARG A 65 8.431 -6.806 -1.137 1.00 1.98 C ATOM 807 CD ARG A 65 9.303 -6.635 -2.385 1.00 2.06 C ATOM 808 NE ARG A 65 10.324 -7.719 -2.297 1.00 2.51 N ATOM 809 CZ ARG A 65 10.615 -8.431 -3.352 1.00 3.01 C ATOM 810 NH1 ARG A 65 9.752 -9.300 -3.814 1.00 3.54 N ATOM 811 NH2 ARG A 65 11.770 -8.275 -3.949 1.00 3.41 N ATOM 0 H ARG A 65 7.396 -4.097 0.153 1.00 1.61 H new ATOM 0 HA ARG A 65 7.245 -6.709 1.089 1.00 1.75 H new ATOM 0 HB2 ARG A 65 9.161 -4.922 -0.372 1.00 1.84 H new ATOM 0 HB3 ARG A 65 9.936 -6.325 0.337 1.00 1.84 H new ATOM 0 HG2 ARG A 65 8.419 -7.852 -0.829 1.00 1.98 H new ATOM 0 HG3 ARG A 65 7.401 -6.527 -1.359 1.00 1.98 H new ATOM 0 HD2 ARG A 65 8.710 -6.725 -3.295 1.00 2.06 H new ATOM 0 HD3 ARG A 65 9.773 -5.652 -2.406 1.00 2.06 H new ATOM 0 HE ARG A 65 10.795 -7.904 -1.412 1.00 2.51 H new ATOM 0 HH11 ARG A 65 8.852 -9.421 -3.350 1.00 3.54 H new ATOM 0 HH12 ARG A 65 9.980 -9.856 -4.638 1.00 3.54 H new ATOM 0 HH21 ARG A 65 12.442 -7.597 -3.590 1.00 3.41 H new ATOM 0 HH22 ARG A 65 11.997 -8.831 -4.773 1.00 3.41 H new ATOM 825 N LYS A 66 9.606 -5.186 2.823 1.00 2.20 N ATOM 826 CA LYS A 66 10.336 -5.304 4.128 1.00 2.49 C ATOM 827 C LYS A 66 9.385 -5.017 5.294 1.00 2.51 C ATOM 828 O LYS A 66 9.490 -5.616 6.349 1.00 2.70 O ATOM 829 CB LYS A 66 11.453 -4.258 4.074 1.00 2.68 C ATOM 830 CG LYS A 66 12.605 -4.776 3.204 1.00 2.77 C ATOM 831 CD LYS A 66 12.499 -4.177 1.799 1.00 2.90 C ATOM 832 CE LYS A 66 13.905 -3.966 1.224 1.00 3.31 C ATOM 833 NZ LYS A 66 14.134 -5.127 0.316 1.00 3.82 N ATOM 0 H LYS A 66 9.869 -4.385 2.250 1.00 2.20 H new ATOM 0 HA LYS A 66 10.735 -6.307 4.280 1.00 2.49 H new ATOM 0 HB2 LYS A 66 11.069 -3.323 3.667 1.00 2.68 H new ATOM 0 HB3 LYS A 66 11.813 -4.044 5.080 1.00 2.68 H new ATOM 0 HG2 LYS A 66 13.562 -4.508 3.653 1.00 2.77 H new ATOM 0 HG3 LYS A 66 12.572 -5.864 3.150 1.00 2.77 H new ATOM 0 HD2 LYS A 66 11.926 -4.841 1.152 1.00 2.90 H new ATOM 0 HD3 LYS A 66 11.964 -3.228 1.836 1.00 2.90 H new ATOM 0 HE2 LYS A 66 13.971 -3.023 0.682 1.00 3.31 H new ATOM 0 HE3 LYS A 66 14.653 -3.932 2.016 1.00 3.31 H new ATOM 0 HZ1 LYS A 66 15.059 -5.553 0.524 1.00 3.82 H new ATOM 0 HZ2 LYS A 66 13.386 -5.835 0.462 1.00 3.82 H new ATOM 0 HZ3 LYS A 66 14.117 -4.804 -0.672 1.00 3.82 H new ATOM 847 N ARG A 67 8.447 -4.118 5.105 1.00 2.36 N ATOM 848 CA ARG A 67 7.471 -3.804 6.195 1.00 2.45 C ATOM 849 C ARG A 67 6.541 -5.004 6.446 1.00 2.36 C ATOM 850 O ARG A 67 5.928 -5.097 7.489 1.00 2.50 O ATOM 851 CB ARG A 67 6.668 -2.602 5.691 1.00 2.31 C ATOM 852 CG ARG A 67 7.559 -1.358 5.654 1.00 2.42 C ATOM 853 CD ARG A 67 7.667 -0.759 7.058 1.00 2.68 C ATOM 854 NE ARG A 67 8.587 0.405 6.914 1.00 2.88 N ATOM 855 CZ ARG A 67 9.880 0.239 7.022 1.00 3.43 C ATOM 856 NH1 ARG A 67 10.430 0.150 8.207 1.00 3.84 N ATOM 857 NH2 ARG A 67 10.619 0.156 5.947 1.00 4.01 N ATOM 0 H ARG A 67 8.316 -3.589 4.243 1.00 2.36 H new ATOM 0 HA ARG A 67 7.973 -3.588 7.138 1.00 2.45 H new ATOM 0 HB2 ARG A 67 6.275 -2.808 4.695 1.00 2.31 H new ATOM 0 HB3 ARG A 67 5.811 -2.427 6.342 1.00 2.31 H new ATOM 0 HG2 ARG A 67 8.550 -1.619 5.283 1.00 2.42 H new ATOM 0 HG3 ARG A 67 7.144 -0.622 4.965 1.00 2.42 H new ATOM 0 HD2 ARG A 67 6.691 -0.446 7.429 1.00 2.68 H new ATOM 0 HD3 ARG A 67 8.060 -1.487 7.768 1.00 2.68 H new ATOM 0 HE ARG A 67 8.207 1.334 6.731 1.00 2.88 H new ATOM 0 HH11 ARG A 67 9.850 0.210 9.044 1.00 3.84 H new ATOM 0 HH12 ARG A 67 11.438 0.021 8.293 1.00 3.84 H new ATOM 0 HH21 ARG A 67 10.187 0.221 5.025 1.00 4.01 H new ATOM 0 HH22 ARG A 67 11.627 0.027 6.030 1.00 4.01 H new ATOM 871 N ILE A 68 6.450 -5.932 5.511 1.00 2.18 N ATOM 872 CA ILE A 68 5.576 -7.129 5.726 1.00 2.13 C ATOM 873 C ILE A 68 6.412 -8.273 6.330 1.00 2.30 C ATOM 874 O ILE A 68 5.927 -9.372 6.505 1.00 2.27 O ATOM 875 CB ILE A 68 5.048 -7.521 4.326 1.00 1.85 C ATOM 876 CG1 ILE A 68 4.141 -6.425 3.717 1.00 1.71 C ATOM 877 CG2 ILE A 68 4.232 -8.813 4.419 1.00 1.87 C ATOM 878 CD1 ILE A 68 3.637 -5.451 4.787 1.00 2.14 C ATOM 0 H ILE A 68 6.941 -5.908 4.617 1.00 2.18 H new ATOM 0 HA ILE A 68 4.755 -6.923 6.413 1.00 2.13 H new ATOM 0 HB ILE A 68 5.919 -7.653 3.685 1.00 1.85 H new ATOM 0 HG12 ILE A 68 4.695 -5.875 2.956 1.00 1.71 H new ATOM 0 HG13 ILE A 68 3.291 -6.891 3.219 1.00 1.71 H new ATOM 0 HG21 ILE A 68 3.864 -9.083 3.429 1.00 1.87 H new ATOM 0 HG22 ILE A 68 4.863 -9.615 4.802 1.00 1.87 H new ATOM 0 HG23 ILE A 68 3.388 -8.662 5.092 1.00 1.87 H new ATOM 0 HD11 ILE A 68 3.003 -4.696 4.322 1.00 2.14 H new ATOM 0 HD12 ILE A 68 3.062 -5.997 5.534 1.00 2.14 H new ATOM 0 HD13 ILE A 68 4.487 -4.966 5.267 1.00 2.14 H new ATOM 890 N HIS A 69 7.670 -8.018 6.649 1.00 2.50 N ATOM 891 CA HIS A 69 8.551 -9.076 7.238 1.00 2.69 C ATOM 892 C HIS A 69 8.702 -10.262 6.278 1.00 2.59 C ATOM 893 O HIS A 69 8.921 -11.386 6.693 1.00 2.71 O ATOM 894 CB HIS A 69 7.866 -9.500 8.545 1.00 2.84 C ATOM 895 CG HIS A 69 8.852 -9.443 9.679 1.00 3.07 C ATOM 896 ND1 HIS A 69 9.655 -8.337 9.912 1.00 3.46 N ATOM 897 CD2 HIS A 69 9.172 -10.349 10.659 1.00 3.10 C ATOM 898 CE1 HIS A 69 10.410 -8.603 10.991 1.00 3.68 C ATOM 899 NE2 HIS A 69 10.157 -9.818 11.485 1.00 3.46 N ATOM 0 H HIS A 69 8.121 -7.112 6.522 1.00 2.50 H new ATOM 0 HA HIS A 69 9.560 -8.706 7.419 1.00 2.69 H new ATOM 0 HB2 HIS A 69 7.021 -8.844 8.753 1.00 2.84 H new ATOM 0 HB3 HIS A 69 7.469 -10.510 8.447 1.00 2.84 H new ATOM 0 HD2 HIS A 69 8.726 -11.326 10.772 1.00 3.10 H new ATOM 0 HE1 HIS A 69 11.133 -7.918 11.408 1.00 3.68 H new ATOM 0 HE2 HIS A 69 10.592 -10.261 12.294 1.00 3.46 H new ATOM 907 N LEU A 70 8.614 -10.012 4.996 1.00 2.41 N ATOM 908 CA LEU A 70 8.776 -11.111 3.999 1.00 2.37 C ATOM 909 C LEU A 70 10.060 -10.898 3.188 1.00 2.47 C ATOM 910 O LEU A 70 10.546 -9.787 3.063 1.00 2.49 O ATOM 911 CB LEU A 70 7.524 -11.077 3.105 1.00 2.10 C ATOM 912 CG LEU A 70 7.383 -9.734 2.362 1.00 1.95 C ATOM 913 CD1 LEU A 70 8.312 -9.709 1.142 1.00 2.02 C ATOM 914 CD2 LEU A 70 5.937 -9.571 1.886 1.00 1.71 C ATOM 0 H LEU A 70 8.436 -9.090 4.597 1.00 2.41 H new ATOM 0 HA LEU A 70 8.868 -12.085 4.479 1.00 2.37 H new ATOM 0 HB2 LEU A 70 7.574 -11.889 2.380 1.00 2.10 H new ATOM 0 HB3 LEU A 70 6.637 -11.249 3.716 1.00 2.10 H new ATOM 0 HG LEU A 70 7.651 -8.923 3.039 1.00 1.95 H new ATOM 0 HD11 LEU A 70 8.206 -8.756 0.623 1.00 2.02 H new ATOM 0 HD12 LEU A 70 9.345 -9.831 1.469 1.00 2.02 H new ATOM 0 HD13 LEU A 70 8.047 -10.522 0.466 1.00 2.02 H new ATOM 0 HD21 LEU A 70 5.832 -8.622 1.360 1.00 1.71 H new ATOM 0 HD22 LEU A 70 5.681 -10.389 1.213 1.00 1.71 H new ATOM 0 HD23 LEU A 70 5.267 -9.585 2.746 1.00 1.71 H new ATOM 926 N ARG A 71 10.621 -11.956 2.651 1.00 2.59 N ATOM 927 CA ARG A 71 11.887 -11.820 1.861 1.00 2.76 C ATOM 928 C ARG A 71 12.166 -13.088 1.041 1.00 2.87 C ATOM 929 O ARG A 71 11.370 -14.007 1.012 1.00 2.81 O ATOM 930 CB ARG A 71 12.984 -11.618 2.921 1.00 3.00 C ATOM 931 CG ARG A 71 13.279 -12.945 3.639 1.00 3.18 C ATOM 932 CD ARG A 71 14.728 -12.949 4.141 1.00 3.70 C ATOM 933 NE ARG A 71 14.878 -14.237 4.879 1.00 3.64 N ATOM 934 CZ ARG A 71 14.858 -14.251 6.186 1.00 3.88 C ATOM 935 NH1 ARG A 71 13.715 -14.227 6.823 1.00 4.22 N ATOM 936 NH2 ARG A 71 15.981 -14.292 6.856 1.00 4.15 N ATOM 0 H ARG A 71 10.258 -12.906 2.725 1.00 2.59 H new ATOM 0 HA ARG A 71 11.835 -10.998 1.147 1.00 2.76 H new ATOM 0 HB2 ARG A 71 13.892 -11.242 2.449 1.00 3.00 H new ATOM 0 HB3 ARG A 71 12.667 -10.867 3.645 1.00 3.00 H new ATOM 0 HG2 ARG A 71 12.593 -13.077 4.476 1.00 3.18 H new ATOM 0 HG3 ARG A 71 13.117 -13.781 2.959 1.00 3.18 H new ATOM 0 HD2 ARG A 71 15.433 -12.885 3.312 1.00 3.70 H new ATOM 0 HD3 ARG A 71 14.923 -12.096 4.792 1.00 3.70 H new ATOM 0 HE ARG A 71 14.996 -15.109 4.363 1.00 3.64 H new ATOM 0 HH11 ARG A 71 12.840 -14.197 6.300 1.00 4.22 H new ATOM 0 HH12 ARG A 71 13.699 -14.238 7.843 1.00 4.22 H new ATOM 0 HH21 ARG A 71 16.871 -14.313 6.359 1.00 4.15 H new ATOM 0 HH22 ARG A 71 15.966 -14.303 7.876 1.00 4.15 H new ATOM 950 N ALA A 72 13.319 -13.139 0.407 1.00 3.08 N ATOM 951 CA ALA A 72 13.731 -14.334 -0.398 1.00 3.23 C ATOM 952 C ALA A 72 12.655 -14.750 -1.419 1.00 3.08 C ATOM 953 O ALA A 72 12.645 -14.268 -2.536 1.00 3.07 O ATOM 954 CB ALA A 72 13.980 -15.438 0.638 1.00 3.36 C ATOM 0 H ALA A 72 14.005 -12.384 0.416 1.00 3.08 H new ATOM 0 HA ALA A 72 14.616 -14.124 -0.998 1.00 3.23 H new ATOM 0 HB1 ALA A 72 14.287 -16.352 0.129 1.00 3.36 H new ATOM 0 HB2 ALA A 72 14.766 -15.123 1.324 1.00 3.36 H new ATOM 0 HB3 ALA A 72 13.064 -15.625 1.198 1.00 3.36 H new ATOM 960 N GLU A 73 11.771 -15.656 -1.059 1.00 2.99 N ATOM 961 CA GLU A 73 10.731 -16.117 -2.027 1.00 2.90 C ATOM 962 C GLU A 73 9.349 -16.247 -1.361 1.00 2.73 C ATOM 963 O GLU A 73 8.623 -17.196 -1.603 1.00 2.80 O ATOM 964 CB GLU A 73 11.246 -17.481 -2.504 1.00 3.14 C ATOM 965 CG GLU A 73 11.252 -18.484 -1.340 1.00 3.31 C ATOM 966 CD GLU A 73 11.351 -19.910 -1.889 1.00 3.81 C ATOM 967 OE1 GLU A 73 12.459 -20.344 -2.153 1.00 4.08 O ATOM 968 OE2 GLU A 73 10.318 -20.541 -2.034 1.00 4.27 O ATOM 0 H GLU A 73 11.729 -16.092 -0.138 1.00 2.99 H new ATOM 0 HA GLU A 73 10.588 -15.411 -2.845 1.00 2.90 H new ATOM 0 HB2 GLU A 73 10.615 -17.854 -3.311 1.00 3.14 H new ATOM 0 HB3 GLU A 73 12.253 -17.376 -2.908 1.00 3.14 H new ATOM 0 HG2 GLU A 73 12.092 -18.280 -0.676 1.00 3.31 H new ATOM 0 HG3 GLU A 73 10.344 -18.374 -0.748 1.00 3.31 H new ATOM 975 N ASP A 74 8.969 -15.297 -0.537 1.00 2.56 N ATOM 976 CA ASP A 74 7.628 -15.372 0.122 1.00 2.44 C ATOM 977 C ASP A 74 6.524 -15.081 -0.894 1.00 2.27 C ATOM 978 O ASP A 74 6.770 -14.697 -2.023 1.00 2.25 O ATOM 979 CB ASP A 74 7.664 -14.317 1.243 1.00 2.36 C ATOM 980 CG ASP A 74 6.304 -13.622 1.425 1.00 2.15 C ATOM 981 OD1 ASP A 74 6.070 -12.632 0.748 1.00 2.29 O ATOM 982 OD2 ASP A 74 5.529 -14.086 2.245 1.00 2.37 O ATOM 0 H ASP A 74 9.527 -14.478 -0.295 1.00 2.56 H new ATOM 0 HA ASP A 74 7.417 -16.362 0.526 1.00 2.44 H new ATOM 0 HB2 ASP A 74 7.956 -14.793 2.179 1.00 2.36 H new ATOM 0 HB3 ASP A 74 8.425 -13.571 1.014 1.00 2.36 H new ATOM 987 N ALA A 75 5.311 -15.255 -0.471 1.00 2.20 N ATOM 988 CA ALA A 75 4.141 -14.989 -1.365 1.00 2.10 C ATOM 989 C ALA A 75 3.378 -13.759 -0.876 1.00 1.85 C ATOM 990 O ALA A 75 3.184 -13.565 0.312 1.00 1.84 O ATOM 991 CB ALA A 75 3.266 -16.236 -1.268 1.00 2.30 C ATOM 0 H ALA A 75 5.069 -15.574 0.467 1.00 2.20 H new ATOM 0 HA ALA A 75 4.445 -14.790 -2.393 1.00 2.10 H new ATOM 0 HB1 ALA A 75 2.386 -16.113 -1.899 1.00 2.30 H new ATOM 0 HB2 ALA A 75 3.833 -17.105 -1.601 1.00 2.30 H new ATOM 0 HB3 ALA A 75 2.953 -16.381 -0.234 1.00 2.30 H new ATOM 997 N LEU A 76 2.943 -12.923 -1.785 1.00 1.70 N ATOM 998 CA LEU A 76 2.192 -11.695 -1.385 1.00 1.48 C ATOM 999 C LEU A 76 1.398 -11.137 -2.567 1.00 1.41 C ATOM 1000 O LEU A 76 1.810 -11.231 -3.710 1.00 1.53 O ATOM 1001 CB LEU A 76 3.266 -10.698 -0.948 1.00 1.43 C ATOM 1002 CG LEU A 76 2.636 -9.341 -0.614 1.00 1.26 C ATOM 1003 CD1 LEU A 76 1.857 -9.437 0.702 1.00 1.38 C ATOM 1004 CD2 LEU A 76 3.746 -8.295 -0.478 1.00 1.32 C ATOM 0 H LEU A 76 3.076 -13.039 -2.790 1.00 1.70 H new ATOM 0 HA LEU A 76 1.472 -11.900 -0.593 1.00 1.48 H new ATOM 0 HB2 LEU A 76 3.796 -11.084 -0.077 1.00 1.43 H new ATOM 0 HB3 LEU A 76 4.003 -10.578 -1.742 1.00 1.43 H new ATOM 0 HG LEU A 76 1.951 -9.052 -1.411 1.00 1.26 H new ATOM 0 HD11 LEU A 76 1.412 -8.469 0.933 1.00 1.38 H new ATOM 0 HD12 LEU A 76 1.070 -10.184 0.605 1.00 1.38 H new ATOM 0 HD13 LEU A 76 2.534 -9.726 1.506 1.00 1.38 H new ATOM 0 HD21 LEU A 76 3.306 -7.326 -0.240 1.00 1.32 H new ATOM 0 HD22 LEU A 76 4.428 -8.590 0.320 1.00 1.32 H new ATOM 0 HD23 LEU A 76 4.295 -8.223 -1.417 1.00 1.32 H new ATOM 1016 N PHE A 77 0.270 -10.546 -2.285 1.00 1.29 N ATOM 1017 CA PHE A 77 -0.580 -9.958 -3.371 1.00 1.28 C ATOM 1018 C PHE A 77 -1.304 -8.711 -2.855 1.00 1.13 C ATOM 1019 O PHE A 77 -2.045 -8.776 -1.892 1.00 1.19 O ATOM 1020 CB PHE A 77 -1.600 -11.046 -3.729 1.00 1.51 C ATOM 1021 CG PHE A 77 -0.917 -12.193 -4.440 1.00 1.66 C ATOM 1022 CD1 PHE A 77 -0.572 -12.074 -5.790 1.00 1.82 C ATOM 1023 CD2 PHE A 77 -0.632 -13.375 -3.746 1.00 1.72 C ATOM 1024 CE1 PHE A 77 0.060 -13.138 -6.447 1.00 2.04 C ATOM 1025 CE2 PHE A 77 -0.002 -14.438 -4.401 1.00 1.91 C ATOM 1026 CZ PHE A 77 0.346 -14.320 -5.751 1.00 2.07 C ATOM 0 H PHE A 77 -0.106 -10.442 -1.343 1.00 1.29 H new ATOM 0 HA PHE A 77 0.015 -9.659 -4.234 1.00 1.28 H new ATOM 0 HB2 PHE A 77 -2.087 -11.409 -2.824 1.00 1.51 H new ATOM 0 HB3 PHE A 77 -2.380 -10.628 -4.365 1.00 1.51 H new ATOM 0 HD1 PHE A 77 -0.793 -11.163 -6.326 1.00 1.82 H new ATOM 0 HD2 PHE A 77 -0.899 -13.466 -2.703 1.00 1.72 H new ATOM 0 HE1 PHE A 77 0.327 -13.047 -7.490 1.00 2.04 H new ATOM 0 HE2 PHE A 77 0.216 -15.350 -3.865 1.00 1.91 H new ATOM 0 HZ PHE A 77 0.835 -15.140 -6.256 1.00 2.07 H new ATOM 1036 N PHE A 78 -1.087 -7.575 -3.474 1.00 1.01 N ATOM 1037 CA PHE A 78 -1.760 -6.330 -3.004 1.00 0.95 C ATOM 1038 C PHE A 78 -3.168 -6.189 -3.594 1.00 1.07 C ATOM 1039 O PHE A 78 -3.371 -6.308 -4.789 1.00 1.17 O ATOM 1040 CB PHE A 78 -0.874 -5.196 -3.504 1.00 0.84 C ATOM 1041 CG PHE A 78 0.423 -5.149 -2.733 1.00 0.80 C ATOM 1042 CD1 PHE A 78 0.615 -5.920 -1.578 1.00 1.10 C ATOM 1043 CD2 PHE A 78 1.430 -4.310 -3.178 1.00 0.87 C ATOM 1044 CE1 PHE A 78 1.822 -5.840 -0.875 1.00 1.13 C ATOM 1045 CE2 PHE A 78 2.637 -4.226 -2.481 1.00 0.99 C ATOM 1046 CZ PHE A 78 2.833 -4.990 -1.327 1.00 0.97 C ATOM 0 H PHE A 78 -0.474 -7.459 -4.281 1.00 1.01 H new ATOM 0 HA PHE A 78 -1.881 -6.332 -1.921 1.00 0.95 H new ATOM 0 HB2 PHE A 78 -0.667 -5.332 -4.565 1.00 0.84 H new ATOM 0 HB3 PHE A 78 -1.398 -4.246 -3.400 1.00 0.84 H new ATOM 0 HD1 PHE A 78 -0.169 -6.576 -1.231 1.00 1.10 H new ATOM 0 HD2 PHE A 78 1.281 -3.717 -4.069 1.00 0.87 H new ATOM 0 HE1 PHE A 78 1.971 -6.434 0.015 1.00 1.13 H new ATOM 0 HE2 PHE A 78 3.419 -3.570 -2.834 1.00 0.99 H new ATOM 0 HZ PHE A 78 3.765 -4.923 -0.786 1.00 0.97 H new ATOM 1056 N PHE A 79 -4.129 -5.895 -2.757 1.00 1.14 N ATOM 1057 CA PHE A 79 -5.530 -5.694 -3.227 1.00 1.31 C ATOM 1058 C PHE A 79 -5.953 -4.275 -2.850 1.00 1.36 C ATOM 1059 O PHE A 79 -6.027 -3.926 -1.685 1.00 1.43 O ATOM 1060 CB PHE A 79 -6.390 -6.715 -2.482 1.00 1.45 C ATOM 1061 CG PHE A 79 -5.816 -8.108 -2.643 1.00 1.45 C ATOM 1062 CD1 PHE A 79 -5.915 -8.767 -3.875 1.00 1.61 C ATOM 1063 CD2 PHE A 79 -5.192 -8.742 -1.560 1.00 1.37 C ATOM 1064 CE1 PHE A 79 -5.391 -10.056 -4.025 1.00 1.69 C ATOM 1065 CE2 PHE A 79 -4.669 -10.031 -1.711 1.00 1.43 C ATOM 1066 CZ PHE A 79 -4.767 -10.688 -2.942 1.00 1.58 C ATOM 0 H PHE A 79 -3.999 -5.784 -1.751 1.00 1.14 H new ATOM 0 HA PHE A 79 -5.633 -5.823 -4.304 1.00 1.31 H new ATOM 0 HB2 PHE A 79 -6.440 -6.455 -1.425 1.00 1.45 H new ATOM 0 HB3 PHE A 79 -7.410 -6.689 -2.865 1.00 1.45 H new ATOM 0 HD1 PHE A 79 -6.396 -8.280 -4.710 1.00 1.61 H new ATOM 0 HD2 PHE A 79 -5.115 -8.236 -0.609 1.00 1.37 H new ATOM 0 HE1 PHE A 79 -5.468 -10.563 -4.975 1.00 1.69 H new ATOM 0 HE2 PHE A 79 -4.189 -10.519 -0.876 1.00 1.43 H new ATOM 0 HZ PHE A 79 -4.362 -11.682 -3.057 1.00 1.58 H new ATOM 1076 N VAL A 80 -6.204 -3.452 -3.825 1.00 1.43 N ATOM 1077 CA VAL A 80 -6.594 -2.037 -3.539 1.00 1.54 C ATOM 1078 C VAL A 80 -7.982 -1.743 -4.116 1.00 1.80 C ATOM 1079 O VAL A 80 -8.205 -1.875 -5.305 1.00 1.90 O ATOM 1080 CB VAL A 80 -5.525 -1.169 -4.226 1.00 1.43 C ATOM 1081 CG1 VAL A 80 -5.568 0.242 -3.642 1.00 1.54 C ATOM 1082 CG2 VAL A 80 -4.127 -1.759 -3.994 1.00 1.21 C ATOM 0 H VAL A 80 -6.157 -3.695 -4.815 1.00 1.43 H new ATOM 0 HA VAL A 80 -6.646 -1.836 -2.469 1.00 1.54 H new ATOM 0 HB VAL A 80 -5.730 -1.142 -5.296 1.00 1.43 H new ATOM 0 HG11 VAL A 80 -4.812 0.860 -4.127 1.00 1.54 H new ATOM 0 HG12 VAL A 80 -6.554 0.676 -3.811 1.00 1.54 H new ATOM 0 HG13 VAL A 80 -5.369 0.199 -2.571 1.00 1.54 H new ATOM 0 HG21 VAL A 80 -3.382 -1.134 -4.486 1.00 1.21 H new ATOM 0 HG22 VAL A 80 -3.921 -1.796 -2.924 1.00 1.21 H new ATOM 0 HG23 VAL A 80 -4.084 -2.767 -4.407 1.00 1.21 H new ATOM 1092 N ASN A 81 -8.914 -1.349 -3.272 1.00 1.97 N ATOM 1093 CA ASN A 81 -10.306 -1.045 -3.745 1.00 2.25 C ATOM 1094 C ASN A 81 -10.893 -2.250 -4.503 1.00 2.30 C ATOM 1095 O ASN A 81 -11.577 -2.096 -5.499 1.00 2.47 O ATOM 1096 CB ASN A 81 -10.157 0.172 -4.669 1.00 2.31 C ATOM 1097 CG ASN A 81 -11.355 1.108 -4.490 1.00 2.95 C ATOM 1098 OD1 ASN A 81 -11.323 2.004 -3.667 1.00 3.09 O ATOM 1099 ND2 ASN A 81 -12.416 0.944 -5.233 1.00 3.80 N ATOM 0 H ASN A 81 -8.767 -1.225 -2.270 1.00 1.97 H new ATOM 0 HA ASN A 81 -10.988 -0.841 -2.919 1.00 2.25 H new ATOM 0 HB2 ASN A 81 -9.232 0.702 -4.441 1.00 2.31 H new ATOM 0 HB3 ASN A 81 -10.090 -0.154 -5.707 1.00 2.31 H new ATOM 0 HD21 ASN A 81 -13.217 1.566 -5.123 1.00 3.80 H new ATOM 0 HD22 ASN A 81 -12.444 0.194 -5.923 1.00 3.80 H new ATOM 1106 N ASN A 82 -10.617 -3.451 -4.031 1.00 2.18 N ATOM 1107 CA ASN A 82 -11.129 -4.695 -4.700 1.00 2.27 C ATOM 1108 C ASN A 82 -10.544 -4.838 -6.119 1.00 2.24 C ATOM 1109 O ASN A 82 -11.194 -5.341 -7.017 1.00 2.43 O ATOM 1110 CB ASN A 82 -12.658 -4.546 -4.742 1.00 2.56 C ATOM 1111 CG ASN A 82 -13.315 -5.906 -4.480 1.00 2.56 C ATOM 1112 OD1 ASN A 82 -13.594 -6.645 -5.403 1.00 2.84 O ATOM 1113 ND2 ASN A 82 -13.578 -6.267 -3.252 1.00 2.82 N ATOM 0 H ASN A 82 -10.051 -3.621 -3.200 1.00 2.18 H new ATOM 0 HA ASN A 82 -10.833 -5.593 -4.158 1.00 2.27 H new ATOM 0 HB2 ASN A 82 -12.984 -3.823 -3.994 1.00 2.56 H new ATOM 0 HB3 ASN A 82 -12.969 -4.161 -5.713 1.00 2.56 H new ATOM 0 HD21 ASN A 82 -14.017 -7.169 -3.069 1.00 2.82 H new ATOM 0 HD22 ASN A 82 -13.344 -5.647 -2.477 1.00 2.82 H new ATOM 1120 N VAL A 83 -9.317 -4.407 -6.320 1.00 2.04 N ATOM 1121 CA VAL A 83 -8.678 -4.522 -7.674 1.00 2.07 C ATOM 1122 C VAL A 83 -7.248 -5.069 -7.525 1.00 1.84 C ATOM 1123 O VAL A 83 -6.706 -5.114 -6.434 1.00 1.64 O ATOM 1124 CB VAL A 83 -8.644 -3.094 -8.257 1.00 2.12 C ATOM 1125 CG1 VAL A 83 -8.430 -3.156 -9.772 1.00 2.29 C ATOM 1126 CG2 VAL A 83 -9.967 -2.365 -7.979 1.00 2.32 C ATOM 0 H VAL A 83 -8.730 -3.980 -5.603 1.00 2.04 H new ATOM 0 HA VAL A 83 -9.230 -5.200 -8.325 1.00 2.07 H new ATOM 0 HB VAL A 83 -7.825 -2.553 -7.783 1.00 2.12 H new ATOM 0 HG11 VAL A 83 -8.407 -2.145 -10.178 1.00 2.29 H new ATOM 0 HG12 VAL A 83 -7.485 -3.654 -9.986 1.00 2.29 H new ATOM 0 HG13 VAL A 83 -9.246 -3.713 -10.232 1.00 2.29 H new ATOM 0 HG21 VAL A 83 -9.923 -1.360 -8.398 1.00 2.32 H new ATOM 0 HG22 VAL A 83 -10.789 -2.914 -8.439 1.00 2.32 H new ATOM 0 HG23 VAL A 83 -10.129 -2.303 -6.903 1.00 2.32 H new ATOM 1136 N ILE A 84 -6.636 -5.463 -8.620 1.00 1.92 N ATOM 1137 CA ILE A 84 -5.238 -6.010 -8.583 1.00 1.77 C ATOM 1138 C ILE A 84 -4.564 -5.742 -9.941 1.00 1.93 C ATOM 1139 O ILE A 84 -4.397 -6.639 -10.747 1.00 2.10 O ATOM 1140 CB ILE A 84 -5.363 -7.539 -8.379 1.00 1.85 C ATOM 1141 CG1 ILE A 84 -6.284 -7.879 -7.199 1.00 1.85 C ATOM 1142 CG2 ILE A 84 -3.976 -8.129 -8.107 1.00 1.69 C ATOM 1143 CD1 ILE A 84 -7.693 -8.194 -7.715 1.00 2.12 C ATOM 0 H ILE A 84 -7.052 -5.428 -9.551 1.00 1.92 H new ATOM 0 HA ILE A 84 -4.650 -5.549 -7.789 1.00 1.77 H new ATOM 0 HB ILE A 84 -5.793 -7.964 -9.286 1.00 1.85 H new ATOM 0 HG12 ILE A 84 -5.888 -8.734 -6.651 1.00 1.85 H new ATOM 0 HG13 ILE A 84 -6.321 -7.042 -6.501 1.00 1.85 H new ATOM 0 HG21 ILE A 84 -4.061 -9.206 -7.963 1.00 1.69 H new ATOM 0 HG22 ILE A 84 -3.322 -7.927 -8.955 1.00 1.69 H new ATOM 0 HG23 ILE A 84 -3.557 -7.675 -7.209 1.00 1.69 H new ATOM 0 HD11 ILE A 84 -8.343 -8.435 -6.874 1.00 2.12 H new ATOM 0 HD12 ILE A 84 -8.089 -7.327 -8.243 1.00 2.12 H new ATOM 0 HD13 ILE A 84 -7.650 -9.045 -8.395 1.00 2.12 H new ATOM 1155 N PRO A 85 -4.207 -4.493 -10.150 1.00 1.89 N ATOM 1156 CA PRO A 85 -3.555 -4.083 -11.423 1.00 2.06 C ATOM 1157 C PRO A 85 -2.088 -4.545 -11.469 1.00 2.00 C ATOM 1158 O PRO A 85 -1.499 -4.847 -10.446 1.00 1.79 O ATOM 1159 CB PRO A 85 -3.639 -2.560 -11.392 1.00 2.02 C ATOM 1160 CG PRO A 85 -3.730 -2.199 -9.943 1.00 1.76 C ATOM 1161 CD PRO A 85 -4.378 -3.358 -9.231 1.00 1.72 C ATOM 0 HA PRO A 85 -4.032 -4.521 -12.300 1.00 2.06 H new ATOM 0 HB2 PRO A 85 -2.762 -2.108 -11.856 1.00 2.02 H new ATOM 0 HB3 PRO A 85 -4.510 -2.203 -11.942 1.00 2.02 H new ATOM 0 HG2 PRO A 85 -2.739 -2.002 -9.533 1.00 1.76 H new ATOM 0 HG3 PRO A 85 -4.317 -1.290 -9.810 1.00 1.76 H new ATOM 0 HD2 PRO A 85 -3.902 -3.550 -8.269 1.00 1.72 H new ATOM 0 HD3 PRO A 85 -5.432 -3.163 -9.032 1.00 1.72 H new ATOM 1169 N PRO A 86 -1.544 -4.573 -12.667 1.00 2.22 N ATOM 1170 CA PRO A 86 -0.127 -4.989 -12.865 1.00 2.24 C ATOM 1171 C PRO A 86 0.833 -3.899 -12.366 1.00 2.05 C ATOM 1172 O PRO A 86 0.417 -2.879 -11.845 1.00 1.90 O ATOM 1173 CB PRO A 86 -0.017 -5.164 -14.381 1.00 2.57 C ATOM 1174 CG PRO A 86 -1.084 -4.288 -14.953 1.00 2.66 C ATOM 1175 CD PRO A 86 -2.195 -4.224 -13.940 1.00 2.49 C ATOM 0 HA PRO A 86 0.135 -5.892 -12.314 1.00 2.24 H new ATOM 0 HB2 PRO A 86 0.969 -4.870 -14.741 1.00 2.57 H new ATOM 0 HB3 PRO A 86 -0.165 -6.205 -14.669 1.00 2.57 H new ATOM 0 HG2 PRO A 86 -0.694 -3.291 -15.160 1.00 2.66 H new ATOM 0 HG3 PRO A 86 -1.447 -4.691 -15.898 1.00 2.66 H new ATOM 0 HD2 PRO A 86 -2.641 -3.230 -13.900 1.00 2.49 H new ATOM 0 HD3 PRO A 86 -2.996 -4.923 -14.182 1.00 2.49 H new ATOM 1183 N THR A 87 2.117 -4.108 -12.532 1.00 2.09 N ATOM 1184 CA THR A 87 3.122 -3.084 -12.078 1.00 1.93 C ATOM 1185 C THR A 87 3.301 -1.968 -13.123 1.00 2.08 C ATOM 1186 O THR A 87 4.302 -1.274 -13.134 1.00 2.06 O ATOM 1187 CB THR A 87 4.440 -3.841 -11.892 1.00 1.97 C ATOM 1188 OG1 THR A 87 4.554 -4.875 -12.865 1.00 2.22 O ATOM 1189 CG2 THR A 87 4.499 -4.445 -10.488 1.00 1.76 C ATOM 0 H THR A 87 2.517 -4.942 -12.962 1.00 2.09 H new ATOM 0 HA THR A 87 2.791 -2.602 -11.158 1.00 1.93 H new ATOM 0 HB THR A 87 5.267 -3.143 -12.018 1.00 1.97 H new ATOM 0 HG1 THR A 87 4.221 -5.716 -12.489 1.00 2.22 H new ATOM 0 HG21 THR A 87 5.439 -4.982 -10.362 1.00 1.76 H new ATOM 0 HG22 THR A 87 4.434 -3.649 -9.746 1.00 1.76 H new ATOM 0 HG23 THR A 87 3.666 -5.135 -10.353 1.00 1.76 H new ATOM 1197 N SER A 88 2.334 -1.780 -13.982 1.00 2.25 N ATOM 1198 CA SER A 88 2.423 -0.706 -15.016 1.00 2.41 C ATOM 1199 C SER A 88 1.581 0.500 -14.571 1.00 2.33 C ATOM 1200 O SER A 88 0.826 1.067 -15.340 1.00 2.50 O ATOM 1201 CB SER A 88 1.852 -1.334 -16.291 1.00 2.70 C ATOM 1202 OG SER A 88 2.206 -0.533 -17.411 1.00 3.10 O ATOM 0 H SER A 88 1.476 -2.331 -14.012 1.00 2.25 H new ATOM 0 HA SER A 88 3.441 -0.348 -15.171 1.00 2.41 H new ATOM 0 HB2 SER A 88 2.239 -2.345 -16.416 1.00 2.70 H new ATOM 0 HB3 SER A 88 0.768 -1.415 -16.216 1.00 2.70 H new ATOM 0 HG SER A 88 1.928 0.393 -17.252 1.00 3.10 H new ATOM 1208 N ALA A 89 1.707 0.884 -13.323 1.00 2.08 N ATOM 1209 CA ALA A 89 0.921 2.041 -12.792 1.00 2.03 C ATOM 1210 C ALA A 89 1.745 2.820 -11.766 1.00 1.83 C ATOM 1211 O ALA A 89 2.916 2.552 -11.558 1.00 1.75 O ATOM 1212 CB ALA A 89 -0.309 1.414 -12.130 1.00 2.00 C ATOM 0 H ALA A 89 2.326 0.441 -12.644 1.00 2.08 H new ATOM 0 HA ALA A 89 0.648 2.747 -13.576 1.00 2.03 H new ATOM 0 HB1 ALA A 89 -0.939 2.200 -11.714 1.00 2.00 H new ATOM 0 HB2 ALA A 89 -0.874 0.851 -12.872 1.00 2.00 H new ATOM 0 HB3 ALA A 89 0.009 0.744 -11.331 1.00 2.00 H new ATOM 1218 N THR A 90 1.139 3.791 -11.134 1.00 1.80 N ATOM 1219 CA THR A 90 1.874 4.615 -10.122 1.00 1.69 C ATOM 1220 C THR A 90 0.993 4.894 -8.895 1.00 1.62 C ATOM 1221 O THR A 90 -0.213 4.728 -8.927 1.00 1.70 O ATOM 1222 CB THR A 90 2.229 5.927 -10.838 1.00 1.87 C ATOM 1223 OG1 THR A 90 1.045 6.535 -11.340 1.00 2.03 O ATOM 1224 CG2 THR A 90 3.192 5.646 -11.993 1.00 1.99 C ATOM 0 H THR A 90 0.163 4.052 -11.274 1.00 1.80 H new ATOM 0 HA THR A 90 2.761 4.098 -9.757 1.00 1.69 H new ATOM 0 HB THR A 90 2.709 6.602 -10.129 1.00 1.87 H new ATOM 0 HG1 THR A 90 0.657 5.968 -12.039 1.00 2.03 H new ATOM 0 HG21 THR A 90 3.439 6.581 -12.496 1.00 1.99 H new ATOM 0 HG22 THR A 90 4.103 5.191 -11.605 1.00 1.99 H new ATOM 0 HG23 THR A 90 2.721 4.966 -12.702 1.00 1.99 H new ATOM 1232 N MET A 91 1.602 5.317 -7.814 1.00 1.52 N ATOM 1233 CA MET A 91 0.828 5.613 -6.561 1.00 1.52 C ATOM 1234 C MET A 91 -0.044 6.864 -6.745 1.00 1.71 C ATOM 1235 O MET A 91 -1.178 6.908 -6.301 1.00 1.77 O ATOM 1236 CB MET A 91 1.879 5.857 -5.468 1.00 1.49 C ATOM 1237 CG MET A 91 2.705 4.584 -5.228 1.00 1.32 C ATOM 1238 SD MET A 91 1.602 3.181 -4.919 1.00 1.65 S ATOM 1239 CE MET A 91 1.090 3.656 -3.248 1.00 1.48 C ATOM 0 H MET A 91 2.608 5.472 -7.743 1.00 1.52 H new ATOM 0 HA MET A 91 0.159 4.791 -6.305 1.00 1.52 H new ATOM 0 HB2 MET A 91 2.536 6.675 -5.762 1.00 1.49 H new ATOM 0 HB3 MET A 91 1.388 6.160 -4.543 1.00 1.49 H new ATOM 0 HG2 MET A 91 3.334 4.379 -6.095 1.00 1.32 H new ATOM 0 HG3 MET A 91 3.372 4.728 -4.378 1.00 1.32 H new ATOM 0 HE1 MET A 91 0.393 2.915 -2.856 1.00 1.48 H new ATOM 0 HE2 MET A 91 1.965 3.709 -2.601 1.00 1.48 H new ATOM 0 HE3 MET A 91 0.603 4.631 -3.280 1.00 1.48 H new ATOM 1249 N GLY A 92 0.481 7.881 -7.388 1.00 1.84 N ATOM 1250 CA GLY A 92 -0.308 9.136 -7.597 1.00 2.04 C ATOM 1251 C GLY A 92 -1.566 8.853 -8.421 1.00 2.12 C ATOM 1252 O GLY A 92 -2.645 9.302 -8.087 1.00 2.25 O ATOM 0 H GLY A 92 1.424 7.895 -7.777 1.00 1.84 H new ATOM 0 HA2 GLY A 92 -0.587 9.561 -6.633 1.00 2.04 H new ATOM 0 HA3 GLY A 92 0.307 9.878 -8.106 1.00 2.04 H new ATOM 1256 N GLN A 93 -1.436 8.119 -9.500 1.00 2.10 N ATOM 1257 CA GLN A 93 -2.634 7.816 -10.345 1.00 2.22 C ATOM 1258 C GLN A 93 -3.618 6.918 -9.575 1.00 2.18 C ATOM 1259 O GLN A 93 -4.819 7.041 -9.732 1.00 2.36 O ATOM 1260 CB GLN A 93 -2.092 7.130 -11.615 1.00 2.22 C ATOM 1261 CG GLN A 93 -2.023 5.608 -11.437 1.00 2.46 C ATOM 1262 CD GLN A 93 -1.708 4.949 -12.784 1.00 2.93 C ATOM 1263 OE1 GLN A 93 -0.598 5.036 -13.271 1.00 3.06 O ATOM 1264 NE2 GLN A 93 -2.643 4.287 -13.410 1.00 3.69 N ATOM 0 H GLN A 93 -0.558 7.719 -9.831 1.00 2.10 H new ATOM 0 HA GLN A 93 -3.192 8.715 -10.607 1.00 2.22 H new ATOM 0 HB2 GLN A 93 -2.733 7.371 -12.463 1.00 2.22 H new ATOM 0 HB3 GLN A 93 -1.099 7.517 -11.845 1.00 2.22 H new ATOM 0 HG2 GLN A 93 -1.256 5.351 -10.706 1.00 2.46 H new ATOM 0 HG3 GLN A 93 -2.970 5.233 -11.050 1.00 2.46 H new ATOM 0 HE21 GLN A 93 -3.575 4.213 -13.003 1.00 3.69 H new ATOM 0 HE22 GLN A 93 -2.441 3.844 -14.306 1.00 3.69 H new ATOM 1273 N LEU A 94 -3.123 6.031 -8.734 1.00 1.97 N ATOM 1274 CA LEU A 94 -4.046 5.149 -7.950 1.00 1.95 C ATOM 1275 C LEU A 94 -4.846 5.979 -6.940 1.00 2.09 C ATOM 1276 O LEU A 94 -5.938 5.608 -6.565 1.00 2.17 O ATOM 1277 CB LEU A 94 -3.147 4.109 -7.259 1.00 1.72 C ATOM 1278 CG LEU A 94 -3.005 4.378 -5.751 1.00 1.71 C ATOM 1279 CD1 LEU A 94 -4.157 3.704 -5.003 1.00 1.80 C ATOM 1280 CD2 LEU A 94 -1.681 3.794 -5.257 1.00 1.51 C ATOM 0 H LEU A 94 -2.129 5.884 -8.561 1.00 1.97 H new ATOM 0 HA LEU A 94 -4.782 4.656 -8.585 1.00 1.95 H new ATOM 0 HB2 LEU A 94 -3.562 3.113 -7.412 1.00 1.72 H new ATOM 0 HB3 LEU A 94 -2.161 4.118 -7.723 1.00 1.72 H new ATOM 0 HG LEU A 94 -3.027 5.453 -5.570 1.00 1.71 H new ATOM 0 HD11 LEU A 94 -4.057 3.894 -3.934 1.00 1.80 H new ATOM 0 HD12 LEU A 94 -5.106 4.108 -5.356 1.00 1.80 H new ATOM 0 HD13 LEU A 94 -4.130 2.630 -5.185 1.00 1.80 H new ATOM 0 HD21 LEU A 94 -1.576 3.982 -4.189 1.00 1.51 H new ATOM 0 HD22 LEU A 94 -1.667 2.719 -5.439 1.00 1.51 H new ATOM 0 HD23 LEU A 94 -0.855 4.263 -5.791 1.00 1.51 H new ATOM 1292 N TYR A 95 -4.308 7.094 -6.495 1.00 2.15 N ATOM 1293 CA TYR A 95 -5.048 7.945 -5.511 1.00 2.32 C ATOM 1294 C TYR A 95 -6.482 8.208 -6.007 1.00 2.51 C ATOM 1295 O TYR A 95 -7.438 7.935 -5.312 1.00 2.60 O ATOM 1296 CB TYR A 95 -4.250 9.252 -5.440 1.00 2.41 C ATOM 1297 CG TYR A 95 -4.277 9.787 -4.032 1.00 2.51 C ATOM 1298 CD1 TYR A 95 -3.685 9.055 -3.001 1.00 2.42 C ATOM 1299 CD2 TYR A 95 -4.894 11.012 -3.763 1.00 2.73 C ATOM 1300 CE1 TYR A 95 -3.704 9.550 -1.693 1.00 2.57 C ATOM 1301 CE2 TYR A 95 -4.914 11.508 -2.457 1.00 2.87 C ATOM 1302 CZ TYR A 95 -4.318 10.778 -1.420 1.00 2.80 C ATOM 1303 OH TYR A 95 -4.337 11.266 -0.126 1.00 2.97 O ATOM 0 H TYR A 95 -3.392 7.448 -6.771 1.00 2.15 H new ATOM 0 HA TYR A 95 -5.136 7.469 -4.534 1.00 2.32 H new ATOM 0 HB2 TYR A 95 -3.221 9.078 -5.754 1.00 2.41 H new ATOM 0 HB3 TYR A 95 -4.673 9.986 -6.126 1.00 2.41 H new ATOM 0 HD1 TYR A 95 -3.213 8.107 -3.213 1.00 2.42 H new ATOM 0 HD2 TYR A 95 -5.354 11.574 -4.563 1.00 2.73 H new ATOM 0 HE1 TYR A 95 -3.245 8.985 -0.895 1.00 2.57 H new ATOM 0 HE2 TYR A 95 -5.389 12.455 -2.247 1.00 2.87 H new ATOM 0 HH TYR A 95 -4.801 12.129 -0.109 1.00 2.97 H new ATOM 1313 N GLN A 96 -6.633 8.717 -7.207 1.00 2.59 N ATOM 1314 CA GLN A 96 -8.007 8.979 -7.755 1.00 2.79 C ATOM 1315 C GLN A 96 -8.755 7.661 -8.036 1.00 2.75 C ATOM 1316 O GLN A 96 -9.969 7.639 -8.110 1.00 2.92 O ATOM 1317 CB GLN A 96 -7.781 9.747 -9.062 1.00 2.88 C ATOM 1318 CG GLN A 96 -7.777 11.254 -8.784 1.00 3.19 C ATOM 1319 CD GLN A 96 -8.286 12.001 -10.020 1.00 3.48 C ATOM 1320 OE1 GLN A 96 -9.476 12.071 -10.252 1.00 3.87 O ATOM 1321 NE2 GLN A 96 -7.430 12.567 -10.829 1.00 3.71 N ATOM 0 H GLN A 96 -5.866 8.963 -7.832 1.00 2.59 H new ATOM 0 HA GLN A 96 -8.617 9.538 -7.046 1.00 2.79 H new ATOM 0 HB2 GLN A 96 -6.834 9.448 -9.511 1.00 2.88 H new ATOM 0 HB3 GLN A 96 -8.565 9.502 -9.779 1.00 2.88 H new ATOM 0 HG2 GLN A 96 -8.409 11.478 -7.924 1.00 3.19 H new ATOM 0 HG3 GLN A 96 -6.769 11.586 -8.534 1.00 3.19 H new ATOM 0 HE21 GLN A 96 -6.430 12.509 -10.635 1.00 3.71 H new ATOM 0 HE22 GLN A 96 -7.762 13.067 -11.654 1.00 3.71 H new ATOM 1330 N GLU A 97 -8.040 6.574 -8.221 1.00 2.55 N ATOM 1331 CA GLU A 97 -8.707 5.269 -8.527 1.00 2.54 C ATOM 1332 C GLU A 97 -9.098 4.502 -7.253 1.00 2.50 C ATOM 1333 O GLU A 97 -10.260 4.210 -7.040 1.00 2.67 O ATOM 1334 CB GLU A 97 -7.670 4.470 -9.323 1.00 2.37 C ATOM 1335 CG GLU A 97 -7.672 4.926 -10.785 1.00 2.57 C ATOM 1336 CD GLU A 97 -6.468 4.320 -11.516 1.00 2.53 C ATOM 1337 OE1 GLU A 97 -6.277 3.117 -11.417 1.00 2.75 O ATOM 1338 OE2 GLU A 97 -5.756 5.069 -12.166 1.00 2.86 O ATOM 0 H GLU A 97 -7.022 6.536 -8.173 1.00 2.55 H new ATOM 0 HA GLU A 97 -9.635 5.428 -9.076 1.00 2.54 H new ATOM 0 HB2 GLU A 97 -6.679 4.610 -8.890 1.00 2.37 H new ATOM 0 HB3 GLU A 97 -7.895 3.405 -9.265 1.00 2.37 H new ATOM 0 HG2 GLU A 97 -8.598 4.618 -11.271 1.00 2.57 H new ATOM 0 HG3 GLU A 97 -7.632 6.014 -10.837 1.00 2.57 H new ATOM 1345 N HIS A 98 -8.141 4.130 -6.431 1.00 2.31 N ATOM 1346 CA HIS A 98 -8.466 3.335 -5.210 1.00 2.30 C ATOM 1347 C HIS A 98 -8.536 4.206 -3.940 1.00 2.42 C ATOM 1348 O HIS A 98 -8.138 3.784 -2.862 1.00 2.38 O ATOM 1349 CB HIS A 98 -7.315 2.336 -5.120 1.00 2.04 C ATOM 1350 CG HIS A 98 -7.253 1.495 -6.371 1.00 2.02 C ATOM 1351 ND1 HIS A 98 -8.380 1.147 -7.103 1.00 2.25 N ATOM 1352 CD2 HIS A 98 -6.194 0.927 -7.024 1.00 1.88 C ATOM 1353 CE1 HIS A 98 -7.970 0.401 -8.145 1.00 2.25 C ATOM 1354 NE2 HIS A 98 -6.645 0.236 -8.145 1.00 2.04 N ATOM 0 H HIS A 98 -7.152 4.345 -6.557 1.00 2.31 H new ATOM 0 HA HIS A 98 -9.447 2.865 -5.279 1.00 2.30 H new ATOM 0 HB2 HIS A 98 -6.373 2.867 -4.984 1.00 2.04 H new ATOM 0 HB3 HIS A 98 -7.448 1.695 -4.249 1.00 2.04 H new ATOM 0 HD2 HIS A 98 -5.162 1.003 -6.716 1.00 1.88 H new ATOM 0 HE1 HIS A 98 -8.632 -0.014 -8.891 1.00 2.25 H new ATOM 0 HE2 HIS A 98 -6.085 -0.284 -8.820 1.00 2.04 H new ATOM 1362 N HIS A 99 -9.066 5.401 -4.049 1.00 2.61 N ATOM 1363 CA HIS A 99 -9.193 6.285 -2.834 1.00 2.79 C ATOM 1364 C HIS A 99 -10.259 5.718 -1.877 1.00 3.03 C ATOM 1365 O HIS A 99 -11.048 4.870 -2.252 1.00 3.42 O ATOM 1366 CB HIS A 99 -9.607 7.693 -3.323 1.00 2.93 C ATOM 1367 CG HIS A 99 -10.685 7.641 -4.390 1.00 3.25 C ATOM 1368 ND1 HIS A 99 -11.598 6.601 -4.502 1.00 3.80 N ATOM 1369 CD2 HIS A 99 -10.999 8.517 -5.400 1.00 3.52 C ATOM 1370 CE1 HIS A 99 -12.404 6.877 -5.544 1.00 4.49 C ATOM 1371 NE2 HIS A 99 -12.082 8.034 -6.125 1.00 4.28 N ATOM 0 H HIS A 99 -9.415 5.805 -4.918 1.00 2.61 H new ATOM 0 HA HIS A 99 -8.248 6.333 -2.293 1.00 2.79 H new ATOM 0 HB2 HIS A 99 -9.966 8.278 -2.476 1.00 2.93 H new ATOM 0 HB3 HIS A 99 -8.732 8.209 -3.719 1.00 2.93 H new ATOM 0 HD1 HIS A 99 -11.649 5.777 -3.903 1.00 3.80 H new ATOM 0 HD2 HIS A 99 -10.481 9.443 -5.601 1.00 3.52 H new ATOM 0 HE1 HIS A 99 -13.213 6.240 -5.870 1.00 4.49 H new ATOM 1379 N GLU A 100 -10.286 6.181 -0.648 1.00 3.12 N ATOM 1380 CA GLU A 100 -11.299 5.667 0.327 1.00 3.37 C ATOM 1381 C GLU A 100 -11.614 6.727 1.393 1.00 3.65 C ATOM 1382 O GLU A 100 -10.968 6.790 2.423 1.00 3.90 O ATOM 1383 CB GLU A 100 -10.660 4.425 0.964 1.00 3.50 C ATOM 1384 CG GLU A 100 -11.385 3.171 0.474 1.00 3.88 C ATOM 1385 CD GLU A 100 -12.437 2.748 1.505 1.00 4.30 C ATOM 1386 OE1 GLU A 100 -13.509 3.327 1.502 1.00 4.75 O ATOM 1387 OE2 GLU A 100 -12.147 1.852 2.281 1.00 4.47 O ATOM 0 H GLU A 100 -9.652 6.890 -0.280 1.00 3.12 H new ATOM 0 HA GLU A 100 -12.244 5.428 -0.160 1.00 3.37 H new ATOM 0 HB2 GLU A 100 -9.603 4.372 0.703 1.00 3.50 H new ATOM 0 HB3 GLU A 100 -10.717 4.490 2.051 1.00 3.50 H new ATOM 0 HG2 GLU A 100 -11.861 3.366 -0.487 1.00 3.88 H new ATOM 0 HG3 GLU A 100 -10.670 2.363 0.317 1.00 3.88 H new ATOM 1394 N GLU A 101 -12.616 7.549 1.145 1.00 3.91 N ATOM 1395 CA GLU A 101 -13.028 8.624 2.118 1.00 4.32 C ATOM 1396 C GLU A 101 -11.903 9.649 2.346 1.00 4.14 C ATOM 1397 O GLU A 101 -10.732 9.320 2.349 1.00 4.02 O ATOM 1398 CB GLU A 101 -13.379 7.898 3.423 1.00 4.71 C ATOM 1399 CG GLU A 101 -14.881 7.602 3.452 1.00 5.57 C ATOM 1400 CD GLU A 101 -15.113 6.168 3.936 1.00 5.98 C ATOM 1401 OE1 GLU A 101 -14.893 5.258 3.155 1.00 6.55 O ATOM 1402 OE2 GLU A 101 -15.511 6.005 5.076 1.00 5.94 O ATOM 0 H GLU A 101 -13.176 7.519 0.293 1.00 3.91 H new ATOM 0 HA GLU A 101 -13.875 9.192 1.732 1.00 4.32 H new ATOM 0 HB2 GLU A 101 -12.813 6.970 3.499 1.00 4.71 H new ATOM 0 HB3 GLU A 101 -13.102 8.512 4.280 1.00 4.71 H new ATOM 0 HG2 GLU A 101 -15.388 8.306 4.112 1.00 5.57 H new ATOM 0 HG3 GLU A 101 -15.307 7.734 2.458 1.00 5.57 H new ATOM 1409 N ASP A 102 -12.271 10.900 2.543 1.00 4.47 N ATOM 1410 CA ASP A 102 -11.248 11.983 2.779 1.00 4.48 C ATOM 1411 C ASP A 102 -10.193 11.973 1.656 1.00 3.99 C ATOM 1412 O ASP A 102 -10.492 11.644 0.521 1.00 3.94 O ATOM 1413 CB ASP A 102 -10.615 11.652 4.143 1.00 4.92 C ATOM 1414 CG ASP A 102 -11.697 11.606 5.225 1.00 5.34 C ATOM 1415 OD1 ASP A 102 -12.078 12.663 5.700 1.00 5.89 O ATOM 1416 OD2 ASP A 102 -12.124 10.513 5.563 1.00 5.30 O ATOM 0 H ASP A 102 -13.240 11.219 2.551 1.00 4.47 H new ATOM 0 HA ASP A 102 -11.691 12.979 2.778 1.00 4.48 H new ATOM 0 HB2 ASP A 102 -10.100 10.693 4.091 1.00 4.92 H new ATOM 0 HB3 ASP A 102 -9.866 12.402 4.397 1.00 4.92 H new ATOM 1421 N PHE A 103 -8.966 12.331 1.957 1.00 3.96 N ATOM 1422 CA PHE A 103 -7.902 12.333 0.895 1.00 3.69 C ATOM 1423 C PHE A 103 -7.161 10.987 0.893 1.00 3.51 C ATOM 1424 O PHE A 103 -6.936 10.401 -0.149 1.00 3.96 O ATOM 1425 CB PHE A 103 -6.909 13.477 1.224 1.00 4.18 C ATOM 1426 CG PHE A 103 -7.566 14.569 2.048 1.00 4.00 C ATOM 1427 CD1 PHE A 103 -8.537 15.397 1.471 1.00 4.64 C ATOM 1428 CD2 PHE A 103 -7.198 14.750 3.387 1.00 3.60 C ATOM 1429 CE1 PHE A 103 -9.140 16.406 2.235 1.00 4.76 C ATOM 1430 CE2 PHE A 103 -7.801 15.757 4.149 1.00 3.93 C ATOM 1431 CZ PHE A 103 -8.770 16.585 3.574 1.00 4.43 C ATOM 0 H PHE A 103 -8.655 12.620 2.884 1.00 3.96 H new ATOM 0 HA PHE A 103 -8.347 12.482 -0.089 1.00 3.69 H new ATOM 0 HB2 PHE A 103 -6.056 13.073 1.769 1.00 4.18 H new ATOM 0 HB3 PHE A 103 -6.523 13.902 0.297 1.00 4.18 H new ATOM 0 HD1 PHE A 103 -8.821 15.258 0.438 1.00 4.64 H new ATOM 0 HD2 PHE A 103 -6.449 14.112 3.832 1.00 3.60 H new ATOM 0 HE1 PHE A 103 -9.889 17.045 1.791 1.00 4.76 H new ATOM 0 HE2 PHE A 103 -7.518 15.895 5.182 1.00 3.93 H new ATOM 0 HZ PHE A 103 -9.233 17.363 4.163 1.00 4.43 H new ATOM 1441 N PHE A 104 -6.771 10.510 2.057 1.00 3.09 N ATOM 1442 CA PHE A 104 -6.017 9.207 2.159 1.00 2.92 C ATOM 1443 C PHE A 104 -6.661 8.098 1.305 1.00 2.73 C ATOM 1444 O PHE A 104 -7.871 7.951 1.272 1.00 2.76 O ATOM 1445 CB PHE A 104 -6.079 8.797 3.641 1.00 2.92 C ATOM 1446 CG PHE A 104 -5.502 9.880 4.527 1.00 3.26 C ATOM 1447 CD1 PHE A 104 -4.224 10.389 4.277 1.00 3.70 C ATOM 1448 CD2 PHE A 104 -6.251 10.369 5.606 1.00 3.78 C ATOM 1449 CE1 PHE A 104 -3.690 11.385 5.104 1.00 4.41 C ATOM 1450 CE2 PHE A 104 -5.719 11.366 6.431 1.00 4.42 C ATOM 1451 CZ PHE A 104 -4.438 11.874 6.180 1.00 4.65 C ATOM 0 H PHE A 104 -6.944 10.971 2.951 1.00 3.09 H new ATOM 0 HA PHE A 104 -4.998 9.338 1.796 1.00 2.92 H new ATOM 0 HB2 PHE A 104 -7.113 8.602 3.925 1.00 2.92 H new ATOM 0 HB3 PHE A 104 -5.527 7.869 3.789 1.00 2.92 H new ATOM 0 HD1 PHE A 104 -3.648 10.013 3.445 1.00 3.70 H new ATOM 0 HD2 PHE A 104 -7.238 9.976 5.801 1.00 3.78 H new ATOM 0 HE1 PHE A 104 -2.702 11.775 4.911 1.00 4.41 H new ATOM 0 HE2 PHE A 104 -6.296 11.744 7.262 1.00 4.42 H new ATOM 0 HZ PHE A 104 -4.028 12.643 6.817 1.00 4.65 H new ATOM 1461 N LEU A 105 -5.852 7.297 0.644 1.00 2.55 N ATOM 1462 CA LEU A 105 -6.402 6.166 -0.181 1.00 2.38 C ATOM 1463 C LEU A 105 -6.246 4.856 0.619 1.00 2.32 C ATOM 1464 O LEU A 105 -5.577 4.840 1.631 1.00 2.39 O ATOM 1465 CB LEU A 105 -5.571 6.173 -1.485 1.00 2.20 C ATOM 1466 CG LEU A 105 -4.384 5.203 -1.397 1.00 2.04 C ATOM 1467 CD1 LEU A 105 -4.792 3.835 -1.954 1.00 1.91 C ATOM 1468 CD2 LEU A 105 -3.222 5.754 -2.226 1.00 1.94 C ATOM 0 H LEU A 105 -4.835 7.377 0.640 1.00 2.55 H new ATOM 0 HA LEU A 105 -7.462 6.264 -0.417 1.00 2.38 H new ATOM 0 HB2 LEU A 105 -6.207 5.896 -2.326 1.00 2.20 H new ATOM 0 HB3 LEU A 105 -5.206 7.181 -1.680 1.00 2.20 H new ATOM 0 HG LEU A 105 -4.081 5.096 -0.355 1.00 2.04 H new ATOM 0 HD11 LEU A 105 -3.947 3.149 -1.890 1.00 1.91 H new ATOM 0 HD12 LEU A 105 -5.625 3.439 -1.373 1.00 1.91 H new ATOM 0 HD13 LEU A 105 -5.094 3.942 -2.996 1.00 1.91 H new ATOM 0 HD21 LEU A 105 -2.376 5.069 -2.167 1.00 1.94 H new ATOM 0 HD22 LEU A 105 -3.533 5.857 -3.265 1.00 1.94 H new ATOM 0 HD23 LEU A 105 -2.927 6.729 -1.837 1.00 1.94 H new ATOM 1480 N TYR A 106 -6.858 3.765 0.205 1.00 2.23 N ATOM 1481 CA TYR A 106 -6.717 2.504 1.006 1.00 2.20 C ATOM 1482 C TYR A 106 -6.073 1.369 0.187 1.00 1.94 C ATOM 1483 O TYR A 106 -6.410 1.141 -0.959 1.00 1.85 O ATOM 1484 CB TYR A 106 -8.154 2.151 1.439 1.00 2.37 C ATOM 1485 CG TYR A 106 -8.339 0.650 1.498 1.00 2.83 C ATOM 1486 CD1 TYR A 106 -7.988 -0.060 2.654 1.00 3.27 C ATOM 1487 CD2 TYR A 106 -8.861 -0.027 0.391 1.00 3.48 C ATOM 1488 CE1 TYR A 106 -8.160 -1.449 2.699 1.00 4.21 C ATOM 1489 CE2 TYR A 106 -9.033 -1.414 0.435 1.00 4.49 C ATOM 1490 CZ TYR A 106 -8.682 -2.127 1.589 1.00 4.81 C ATOM 1491 OH TYR A 106 -8.852 -3.496 1.633 1.00 5.97 O ATOM 0 H TYR A 106 -7.435 3.694 -0.633 1.00 2.23 H new ATOM 0 HA TYR A 106 -6.055 2.640 1.861 1.00 2.20 H new ATOM 0 HB2 TYR A 106 -8.363 2.587 2.416 1.00 2.37 H new ATOM 0 HB3 TYR A 106 -8.868 2.584 0.738 1.00 2.37 H new ATOM 0 HD1 TYR A 106 -7.586 0.463 3.509 1.00 3.27 H new ATOM 0 HD2 TYR A 106 -9.132 0.522 -0.499 1.00 3.48 H new ATOM 0 HE1 TYR A 106 -7.890 -1.998 3.589 1.00 4.21 H new ATOM 0 HE2 TYR A 106 -9.436 -1.936 -0.420 1.00 4.49 H new ATOM 0 HH TYR A 106 -9.225 -3.807 0.782 1.00 5.97 H new ATOM 1501 N ILE A 107 -5.156 0.647 0.801 1.00 1.87 N ATOM 1502 CA ILE A 107 -4.474 -0.501 0.116 1.00 1.63 C ATOM 1503 C ILE A 107 -4.365 -1.675 1.105 1.00 1.66 C ATOM 1504 O ILE A 107 -4.142 -1.475 2.283 1.00 1.80 O ATOM 1505 CB ILE A 107 -3.066 -0.005 -0.261 1.00 1.52 C ATOM 1506 CG1 ILE A 107 -3.153 1.310 -1.046 1.00 1.65 C ATOM 1507 CG2 ILE A 107 -2.365 -1.064 -1.124 1.00 1.39 C ATOM 1508 CD1 ILE A 107 -1.740 1.834 -1.335 1.00 1.61 C ATOM 0 H ILE A 107 -4.850 0.809 1.760 1.00 1.87 H new ATOM 0 HA ILE A 107 -5.022 -0.835 -0.765 1.00 1.63 H new ATOM 0 HB ILE A 107 -2.498 0.166 0.654 1.00 1.52 H new ATOM 0 HG12 ILE A 107 -3.691 1.152 -1.981 1.00 1.65 H new ATOM 0 HG13 ILE A 107 -3.716 2.049 -0.475 1.00 1.65 H new ATOM 0 HG21 ILE A 107 -1.368 -0.714 -1.391 1.00 1.39 H new ATOM 0 HG22 ILE A 107 -2.284 -1.995 -0.563 1.00 1.39 H new ATOM 0 HG23 ILE A 107 -2.945 -1.236 -2.031 1.00 1.39 H new ATOM 0 HD11 ILE A 107 -1.805 2.768 -1.893 1.00 1.61 H new ATOM 0 HD12 ILE A 107 -1.217 2.009 -0.395 1.00 1.61 H new ATOM 0 HD13 ILE A 107 -1.192 1.098 -1.923 1.00 1.61 H new ATOM 1520 N ALA A 108 -4.512 -2.891 0.638 1.00 1.59 N ATOM 1521 CA ALA A 108 -4.407 -4.071 1.558 1.00 1.66 C ATOM 1522 C ALA A 108 -3.595 -5.190 0.899 1.00 1.44 C ATOM 1523 O ALA A 108 -3.330 -5.152 -0.286 1.00 1.32 O ATOM 1524 CB ALA A 108 -5.851 -4.522 1.793 1.00 1.85 C ATOM 0 H ALA A 108 -4.700 -3.119 -0.338 1.00 1.59 H new ATOM 0 HA ALA A 108 -3.901 -3.821 2.491 1.00 1.66 H new ATOM 0 HB1 ALA A 108 -5.859 -5.385 2.459 1.00 1.85 H new ATOM 0 HB2 ALA A 108 -6.417 -3.708 2.246 1.00 1.85 H new ATOM 0 HB3 ALA A 108 -6.307 -4.794 0.841 1.00 1.85 H new ATOM 1530 N TYR A 109 -3.194 -6.192 1.652 1.00 1.46 N ATOM 1531 CA TYR A 109 -2.404 -7.314 1.041 1.00 1.32 C ATOM 1532 C TYR A 109 -2.589 -8.624 1.803 1.00 1.41 C ATOM 1533 O TYR A 109 -3.006 -8.649 2.946 1.00 1.56 O ATOM 1534 CB TYR A 109 -0.921 -6.900 1.048 1.00 1.28 C ATOM 1535 CG TYR A 109 -0.509 -6.246 2.352 1.00 1.44 C ATOM 1536 CD1 TYR A 109 -0.884 -4.926 2.612 1.00 1.55 C ATOM 1537 CD2 TYR A 109 0.270 -6.949 3.288 1.00 1.55 C ATOM 1538 CE1 TYR A 109 -0.493 -4.311 3.800 1.00 1.74 C ATOM 1539 CE2 TYR A 109 0.655 -6.329 4.478 1.00 1.73 C ATOM 1540 CZ TYR A 109 0.276 -5.009 4.732 1.00 1.82 C ATOM 1541 OH TYR A 109 0.658 -4.393 5.905 1.00 2.04 O ATOM 0 H TYR A 109 -3.377 -6.281 2.651 1.00 1.46 H new ATOM 0 HA TYR A 109 -2.757 -7.490 0.025 1.00 1.32 H new ATOM 0 HB2 TYR A 109 -0.301 -7.779 0.874 1.00 1.28 H new ATOM 0 HB3 TYR A 109 -0.735 -6.211 0.224 1.00 1.28 H new ATOM 0 HD1 TYR A 109 -1.477 -4.382 1.892 1.00 1.55 H new ATOM 0 HD2 TYR A 109 0.570 -7.967 3.087 1.00 1.55 H new ATOM 0 HE1 TYR A 109 -0.786 -3.291 4.000 1.00 1.74 H new ATOM 0 HE2 TYR A 109 1.246 -6.870 5.202 1.00 1.73 H new ATOM 0 HH TYR A 109 -0.125 -3.983 6.329 1.00 2.04 H new ATOM 1551 N SER A 110 -2.267 -9.715 1.155 1.00 1.38 N ATOM 1552 CA SER A 110 -2.403 -11.060 1.799 1.00 1.52 C ATOM 1553 C SER A 110 -1.200 -11.947 1.441 1.00 1.52 C ATOM 1554 O SER A 110 -0.290 -11.528 0.748 1.00 1.41 O ATOM 1555 CB SER A 110 -3.691 -11.649 1.222 1.00 1.62 C ATOM 1556 OG SER A 110 -4.205 -12.622 2.124 1.00 1.86 O ATOM 0 H SER A 110 -1.912 -9.733 0.199 1.00 1.38 H new ATOM 0 HA SER A 110 -2.436 -10.993 2.886 1.00 1.52 H new ATOM 0 HB2 SER A 110 -4.426 -10.860 1.062 1.00 1.62 H new ATOM 0 HB3 SER A 110 -3.494 -12.104 0.251 1.00 1.62 H new ATOM 0 HG SER A 110 -5.032 -13.001 1.760 1.00 1.86 H new ATOM 1562 N ASP A 111 -1.202 -13.171 1.908 1.00 1.69 N ATOM 1563 CA ASP A 111 -0.064 -14.104 1.602 1.00 1.77 C ATOM 1564 C ASP A 111 -0.315 -14.877 0.297 1.00 1.95 C ATOM 1565 O ASP A 111 0.601 -15.429 -0.281 1.00 2.21 O ATOM 1566 CB ASP A 111 0.016 -15.084 2.789 1.00 1.90 C ATOM 1567 CG ASP A 111 -1.199 -16.025 2.786 1.00 2.37 C ATOM 1568 OD1 ASP A 111 -2.284 -15.568 3.109 1.00 3.21 O ATOM 1569 OD2 ASP A 111 -1.019 -17.188 2.461 1.00 2.47 O ATOM 0 H ASP A 111 -1.941 -13.568 2.488 1.00 1.69 H new ATOM 0 HA ASP A 111 0.865 -13.550 1.468 1.00 1.77 H new ATOM 0 HB2 ASP A 111 0.936 -15.666 2.728 1.00 1.90 H new ATOM 0 HB3 ASP A 111 0.052 -14.529 3.726 1.00 1.90 H new ATOM 1574 N GLU A 112 -1.544 -14.931 -0.168 1.00 1.91 N ATOM 1575 CA GLU A 112 -1.833 -15.682 -1.434 1.00 2.15 C ATOM 1576 C GLU A 112 -3.135 -15.194 -2.086 1.00 2.65 C ATOM 1577 O GLU A 112 -3.959 -14.557 -1.455 1.00 3.09 O ATOM 1578 CB GLU A 112 -1.937 -17.166 -1.023 1.00 2.53 C ATOM 1579 CG GLU A 112 -3.267 -17.452 -0.299 1.00 3.30 C ATOM 1580 CD GLU A 112 -3.802 -18.822 -0.723 1.00 4.02 C ATOM 1581 OE1 GLU A 112 -3.142 -19.810 -0.443 1.00 4.37 O ATOM 1582 OE2 GLU A 112 -4.868 -18.862 -1.314 1.00 4.64 O ATOM 0 H GLU A 112 -2.353 -14.491 0.271 1.00 1.91 H new ATOM 0 HA GLU A 112 -1.050 -15.527 -2.177 1.00 2.15 H new ATOM 0 HB2 GLU A 112 -1.859 -17.797 -1.908 1.00 2.53 H new ATOM 0 HB3 GLU A 112 -1.102 -17.425 -0.372 1.00 2.53 H new ATOM 0 HG2 GLU A 112 -3.117 -17.428 0.780 1.00 3.30 H new ATOM 0 HG3 GLU A 112 -3.996 -16.677 -0.537 1.00 3.30 H new ATOM 1589 N SER A 113 -3.314 -15.500 -3.348 1.00 3.10 N ATOM 1590 CA SER A 113 -4.554 -15.075 -4.071 1.00 4.04 C ATOM 1591 C SER A 113 -5.043 -16.205 -4.994 1.00 4.36 C ATOM 1592 O SER A 113 -5.520 -15.963 -6.087 1.00 5.23 O ATOM 1593 CB SER A 113 -4.132 -13.851 -4.891 1.00 4.79 C ATOM 1594 OG SER A 113 -5.285 -13.088 -5.221 1.00 5.23 O ATOM 0 H SER A 113 -2.650 -16.030 -3.912 1.00 3.10 H new ATOM 0 HA SER A 113 -5.374 -14.846 -3.391 1.00 4.04 H new ATOM 0 HB2 SER A 113 -3.429 -13.242 -4.322 1.00 4.79 H new ATOM 0 HB3 SER A 113 -3.618 -14.166 -5.799 1.00 4.79 H new ATOM 0 HG SER A 113 -5.331 -12.298 -4.642 1.00 5.23 H new ATOM 1600 N VAL A 114 -4.927 -17.437 -4.557 1.00 3.87 N ATOM 1601 CA VAL A 114 -5.380 -18.589 -5.398 1.00 4.43 C ATOM 1602 C VAL A 114 -6.449 -19.406 -4.655 1.00 5.17 C ATOM 1603 O VAL A 114 -6.729 -19.165 -3.495 1.00 5.35 O ATOM 1604 CB VAL A 114 -4.107 -19.419 -5.647 1.00 4.25 C ATOM 1605 CG1 VAL A 114 -3.734 -20.219 -4.393 1.00 4.38 C ATOM 1606 CG2 VAL A 114 -4.341 -20.387 -6.813 1.00 4.96 C ATOM 0 H VAL A 114 -4.536 -17.694 -3.650 1.00 3.87 H new ATOM 0 HA VAL A 114 -5.839 -18.271 -6.334 1.00 4.43 H new ATOM 0 HB VAL A 114 -3.291 -18.738 -5.890 1.00 4.25 H new ATOM 0 HG11 VAL A 114 -2.832 -20.800 -4.587 1.00 4.38 H new ATOM 0 HG12 VAL A 114 -3.553 -19.534 -3.565 1.00 4.38 H new ATOM 0 HG13 VAL A 114 -4.551 -20.893 -4.135 1.00 4.38 H new ATOM 0 HG21 VAL A 114 -3.438 -20.973 -6.986 1.00 4.96 H new ATOM 0 HG22 VAL A 114 -5.167 -21.056 -6.570 1.00 4.96 H new ATOM 0 HG23 VAL A 114 -4.585 -19.821 -7.712 1.00 4.96 H new ATOM 1616 N TYR A 115 -7.048 -20.366 -5.320 1.00 5.83 N ATOM 1617 CA TYR A 115 -8.102 -21.206 -4.666 1.00 6.80 C ATOM 1618 C TYR A 115 -7.517 -21.939 -3.448 1.00 7.07 C ATOM 1619 O TYR A 115 -6.742 -22.868 -3.584 1.00 7.13 O ATOM 1620 CB TYR A 115 -8.541 -22.205 -5.742 1.00 7.48 C ATOM 1621 CG TYR A 115 -9.809 -22.900 -5.305 1.00 8.49 C ATOM 1622 CD1 TYR A 115 -11.056 -22.341 -5.613 1.00 9.35 C ATOM 1623 CD2 TYR A 115 -9.738 -24.102 -4.591 1.00 8.74 C ATOM 1624 CE1 TYR A 115 -12.231 -22.984 -5.206 1.00 10.38 C ATOM 1625 CE2 TYR A 115 -10.911 -24.746 -4.185 1.00 9.79 C ATOM 1626 CZ TYR A 115 -12.158 -24.186 -4.491 1.00 10.58 C ATOM 1627 OH TYR A 115 -13.317 -24.821 -4.091 1.00 11.68 O ATOM 0 H TYR A 115 -6.851 -20.605 -6.292 1.00 5.83 H new ATOM 0 HA TYR A 115 -8.939 -20.610 -4.303 1.00 6.80 H new ATOM 0 HB2 TYR A 115 -8.706 -21.687 -6.687 1.00 7.48 H new ATOM 0 HB3 TYR A 115 -7.753 -22.939 -5.914 1.00 7.48 H new ATOM 0 HD1 TYR A 115 -11.111 -21.414 -6.164 1.00 9.35 H new ATOM 0 HD2 TYR A 115 -8.776 -24.532 -4.353 1.00 8.74 H new ATOM 0 HE1 TYR A 115 -13.193 -22.554 -5.443 1.00 10.38 H new ATOM 0 HE2 TYR A 115 -10.856 -25.674 -3.636 1.00 9.79 H new ATOM 0 HH TYR A 115 -13.090 -25.642 -3.607 1.00 11.68 H new ATOM 1637 N GLY A 116 -7.883 -21.519 -2.261 1.00 7.52 N ATOM 1638 CA GLY A 116 -7.356 -22.173 -1.029 1.00 8.13 C ATOM 1639 C GLY A 116 -7.666 -21.298 0.190 1.00 9.23 C ATOM 1640 O GLY A 116 -8.737 -20.730 0.301 1.00 9.53 O ATOM 0 H GLY A 116 -8.528 -20.747 -2.095 1.00 7.52 H new ATOM 0 HA2 GLY A 116 -7.807 -23.158 -0.907 1.00 8.13 H new ATOM 0 HA3 GLY A 116 -6.280 -22.324 -1.117 1.00 8.13 H new ATOM 1644 N LEU A 117 -6.731 -21.182 1.105 1.00 10.00 N ATOM 1645 CA LEU A 117 -6.962 -20.339 2.321 1.00 11.19 C ATOM 1646 C LEU A 117 -6.110 -19.064 2.251 1.00 11.63 C ATOM 1647 O LEU A 117 -4.901 -19.185 2.120 1.00 11.81 O ATOM 1648 CB LEU A 117 -6.537 -21.211 3.510 1.00 11.91 C ATOM 1649 CG LEU A 117 -7.440 -22.446 3.605 1.00 11.72 C ATOM 1650 CD1 LEU A 117 -6.775 -23.500 4.495 1.00 12.62 C ATOM 1651 CD2 LEU A 117 -8.790 -22.053 4.211 1.00 11.66 C ATOM 1652 OXT LEU A 117 -6.678 -17.990 2.329 1.00 11.93 O ATOM 0 H LEU A 117 -5.818 -21.635 1.061 1.00 10.00 H new ATOM 0 HA LEU A 117 -8.001 -20.022 2.408 1.00 11.19 H new ATOM 0 HB2 LEU A 117 -5.498 -21.519 3.393 1.00 11.91 H new ATOM 0 HB3 LEU A 117 -6.597 -20.635 4.433 1.00 11.91 H new ATOM 0 HG LEU A 117 -7.595 -22.854 2.606 1.00 11.72 H new ATOM 0 HD11 LEU A 117 -7.418 -24.378 4.562 1.00 12.62 H new ATOM 0 HD12 LEU A 117 -5.815 -23.785 4.066 1.00 12.62 H new ATOM 0 HD13 LEU A 117 -6.618 -23.088 5.492 1.00 12.62 H new ATOM 0 HD21 LEU A 117 -9.429 -22.933 4.277 1.00 11.66 H new ATOM 0 HD22 LEU A 117 -8.635 -21.641 5.208 1.00 11.66 H new ATOM 0 HD23 LEU A 117 -9.268 -21.304 3.580 1.00 11.66 H new TER 1664 LEU A 117 END