USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) HEADER STRUCTURAL PROTEIN 11-NOV-03 1V49 TITLE SOLUTION STRUCTURE OF MICROTUBULE-ASSOCIATED PROTEIN LIGHT TITLE 2 CHAIN-3 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MICROTUBULE-ASSOCIATED PROTEINS 1A/1B LIGHT COMPND 3 CHAIN 3B; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: RESIDUES 1-120; COMPND 6 SYNONYM: MICROTUBULE-ASSOCIATED PROTEIN LIGHT CHAIN-3; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX-6P KEYWDS UBIQUITIN FOLD, STRUCTURAL PROTEIN EXPDTA SOLUTION NMR AUTHOR T.KOUNO,M.MIZUGUCHI,I.TANIDA,T.UENO,E.KOMINAMI,K.KAWANO REVDAT 2 24-FEB-09 1V49 1 VERSN REVDAT 1 28-DEC-04 1V49 0 JRNL AUTH T.KOUNO,M.MIZUGUCHI,I.TANIDA,T.UENO,T.KANEMATSU, JRNL AUTH 2 Y.MORI,H.SHINODA,M.HIRATA,E.KOMINAMI,K.KAWANO JRNL TITL SOLUTION STRUCTURE OF MICROTUBULE-ASSOCIATED JRNL TITL 2 PROTEIN LIGHT CHAIN 3 AND IDENTIFICATION OF ITS JRNL TITL 3 FUNCTIONAL SUBDOMAINS. JRNL REF J.BIOL.CHEM. V. 280 24610 2005 JRNL REFN ISSN 0021-9258 JRNL PMID 15857831 JRNL DOI 10.1074/JBC.M413565200 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 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1V49 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-NOV-03. REMARK 100 THE RCSB ID CODE IS RCSB006186. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 230 REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 0.8MM PROTEIN U-15N, 13C; REMARK 210 25MM PHOSPHATE BUFFER NA; REMARK 210 100MM NACL; 90% H2O, 10% D2O; REMARK 210 0.8MM PROTEIN U-15N, 13C; 25MM REMARK 210 PHOSPHATE BUFFER NA; 100MM REMARK 210 NACL; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA, REMARK 210 3D_13C-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.0, PIPP 4.3.2 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 42 63.05 -103.59 REMARK 500 GLN A 72 60.15 -111.77 REMARK 500 LEU A 73 -168.54 -162.30 REMARK 500 GLN A 77 -80.75 -71.27 REMARK 500 ALA A 78 123.88 -173.89 REMARK 500 HIS A 86 51.83 -152.75 REMARK 500 VAL A 89 78.09 -102.19 REMARK 500 SER A 92 -25.73 165.25 REMARK 500 LYS A 103 -172.01 -63.04 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 10 0.31 SIDE_CHAIN REMARK 500 ARG A 11 0.32 SIDE_CHAIN REMARK 500 ARG A 16 0.30 SIDE_CHAIN REMARK 500 ARG A 21 0.32 SIDE_CHAIN REMARK 500 ARG A 24 0.31 SIDE_CHAIN REMARK 500 ARG A 37 0.32 SIDE_CHAIN REMARK 500 ARG A 68 0.29 SIDE_CHAIN REMARK 500 ARG A 69 0.32 SIDE_CHAIN REMARK 500 ARG A 70 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1V49 A 1 120 UNP Q9GZQ8 MLP3B_HUMAN 0 119 SEQRES 1 A 120 MET PRO SER GLU LYS THR PHE LYS GLN ARG ARG THR PHE SEQRES 2 A 120 GLU GLN ARG VAL GLU ASP VAL ARG LEU ILE ARG GLU GLN SEQRES 3 A 120 HIS PRO THR LYS ILE PRO VAL ILE ILE GLU ARG TYR LYS SEQRES 4 A 120 GLY GLU LYS GLN LEU PRO VAL LEU ASP LYS THR LYS PHE SEQRES 5 A 120 LEU VAL PRO ASP HIS VAL ASN MET SER GLU LEU ILE LYS SEQRES 6 A 120 ILE ILE ARG ARG ARG LEU GLN LEU ASN ALA ASN GLN ALA SEQRES 7 A 120 PHE PHE LEU LEU VAL ASN GLY HIS SER MET VAL SER VAL SEQRES 8 A 120 SER THR PRO ILE SER GLU VAL TYR GLU SER GLU LYS ASP SEQRES 9 A 120 GLU ASP GLY PHE LEU TYR MET VAL TYR ALA SER GLN GLU SEQRES 10 A 120 THR PHE GLY HELIX 1 1 THR A 6 ARG A 11 1 6 HELIX 2 2 THR A 12 HIS A 27 1 16 HELIX 3 3 ASN A 59 LEU A 71 1 13 HELIX 4 4 PRO A 94 LYS A 103 1 10 SHEET 1 A 4 LYS A 51 PRO A 55 0 SHEET 2 A 4 LYS A 30 ARG A 37 -1 N ILE A 31 O VAL A 54 SHEET 3 A 4 LEU A 109 ALA A 114 1 O MET A 111 N GLU A 36 SHEET 4 A 4 PHE A 80 LEU A 82 -1 N LEU A 82 O VAL A 112 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 43 GLN : amide:sc= -0.923 K(o=-0.92,f=0.4) USER MOD Set 1.2: A 116 GLN : amide:sc= 0 K(o=-0.92,f=0.4) USER MOD Set 2.1: A 60 MET CE :methyl -100:sc= -0.574 (180deg=-2.4!) USER MOD Set 2.2: A 111 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-3.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0.047) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.021) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00504 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 39:sc= 0.736 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -96:sc= 0.109 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.421 (180deg=-0.715) USER MOD Single : A 57 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.23) USER MOD Single : A 59 ASN : amide:sc= -0.769 K(o=-0.77,f=-6!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.071 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.31 K(o=-0.31,f=-3.8!) USER MOD Single : A 84 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.61) USER MOD Single : A 86 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.35) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 96 SER OG : rot 101:sc= 0.5 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.376 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -151:sc= 0.519 (180deg=0.0048) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 113 TYR OH : rot 30:sc= -0.373 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0546 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.922 23.711 10.171 1.00 6.86 N ATOM 2 CA MET A 1 2.008 22.245 9.896 1.00 6.08 C ATOM 3 C MET A 1 1.655 21.958 8.427 1.00 5.09 C ATOM 4 O MET A 1 0.492 21.933 8.065 1.00 5.02 O ATOM 5 CB MET A 1 0.985 21.599 10.838 1.00 6.48 C ATOM 6 CG MET A 1 1.286 20.105 10.976 1.00 7.08 C ATOM 7 SD MET A 1 -0.100 19.283 11.799 1.00 7.93 S ATOM 8 CE MET A 1 0.499 19.468 13.497 1.00 8.66 C ATOM 0 H1 MET A 1 2.163 23.892 11.166 1.00 6.86 H new ATOM 0 H2 MET A 1 2.589 24.219 9.556 1.00 6.86 H new ATOM 0 H3 MET A 1 0.955 24.043 9.983 1.00 6.86 H new ATOM 0 HA MET A 1 3.011 21.852 10.061 1.00 6.08 H new ATOM 0 HB2 MET A 1 1.022 22.079 11.816 1.00 6.48 H new ATOM 0 HB3 MET A 1 -0.023 21.743 10.450 1.00 6.48 H new ATOM 0 HG2 MET A 1 1.452 19.664 9.993 1.00 7.08 H new ATOM 0 HG3 MET A 1 2.201 19.959 11.549 1.00 7.08 H new ATOM 0 HE1 MET A 1 -0.217 19.021 14.186 1.00 8.66 H new ATOM 0 HE2 MET A 1 1.462 18.968 13.600 1.00 8.66 H new ATOM 0 HE3 MET A 1 0.614 20.527 13.729 1.00 8.66 H new ATOM 20 N PRO A 2 2.676 21.749 7.623 1.00 4.73 N ATOM 21 CA PRO A 2 2.464 21.460 6.181 1.00 4.09 C ATOM 22 C PRO A 2 1.902 20.040 5.985 1.00 3.35 C ATOM 23 O PRO A 2 0.752 19.879 5.621 1.00 3.35 O ATOM 24 CB PRO A 2 3.858 21.615 5.574 1.00 4.57 C ATOM 25 CG PRO A 2 4.812 21.381 6.703 1.00 5.16 C ATOM 26 CD PRO A 2 4.104 21.765 7.978 1.00 5.37 C ATOM 0 HA PRO A 2 1.736 22.121 5.710 1.00 4.09 H new ATOM 0 HB2 PRO A 2 4.018 20.897 4.769 1.00 4.57 H new ATOM 0 HB3 PRO A 2 3.992 22.609 5.146 1.00 4.57 H new ATOM 0 HG2 PRO A 2 5.120 20.336 6.735 1.00 5.16 H new ATOM 0 HG3 PRO A 2 5.716 21.976 6.572 1.00 5.16 H new ATOM 0 HD2 PRO A 2 4.322 21.061 8.781 1.00 5.37 H new ATOM 0 HD3 PRO A 2 4.416 22.750 8.325 1.00 5.37 H new ATOM 34 N SER A 3 2.699 19.016 6.232 1.00 3.22 N ATOM 35 CA SER A 3 2.221 17.600 6.075 1.00 2.96 C ATOM 36 C SER A 3 1.482 17.407 4.738 1.00 2.05 C ATOM 37 O SER A 3 0.329 17.013 4.705 1.00 2.43 O ATOM 38 CB SER A 3 1.278 17.364 7.261 1.00 3.86 C ATOM 39 OG SER A 3 2.009 17.480 8.476 1.00 4.43 O ATOM 0 H SER A 3 3.668 19.105 6.538 1.00 3.22 H new ATOM 0 HA SER A 3 3.050 16.892 6.065 1.00 2.96 H new ATOM 0 HB2 SER A 3 0.464 18.089 7.243 1.00 3.86 H new ATOM 0 HB3 SER A 3 0.826 16.375 7.189 1.00 3.86 H new ATOM 0 HG SER A 3 1.407 17.331 9.235 1.00 4.43 H new ATOM 45 N GLU A 4 2.140 17.682 3.637 1.00 1.65 N ATOM 46 CA GLU A 4 1.480 17.517 2.301 1.00 1.67 C ATOM 47 C GLU A 4 2.445 16.879 1.294 1.00 1.47 C ATOM 48 O GLU A 4 2.414 17.179 0.113 1.00 1.57 O ATOM 49 CB GLU A 4 1.102 18.940 1.868 1.00 2.58 C ATOM 50 CG GLU A 4 2.371 19.737 1.529 1.00 3.31 C ATOM 51 CD GLU A 4 2.127 21.227 1.781 1.00 4.54 C ATOM 52 OE1 GLU A 4 2.196 21.632 2.929 1.00 5.24 O ATOM 53 OE2 GLU A 4 1.875 21.937 0.822 1.00 5.00 O ATOM 0 H GLU A 4 3.104 18.013 3.605 1.00 1.65 H new ATOM 0 HA GLU A 4 0.611 16.861 2.351 1.00 1.67 H new ATOM 0 HB2 GLU A 4 0.443 18.903 1.001 1.00 2.58 H new ATOM 0 HB3 GLU A 4 0.551 19.438 2.666 1.00 2.58 H new ATOM 0 HG2 GLU A 4 3.205 19.387 2.137 1.00 3.31 H new ATOM 0 HG3 GLU A 4 2.646 19.575 0.487 1.00 3.31 H new ATOM 60 N LYS A 5 3.297 16.003 1.753 1.00 1.33 N ATOM 61 CA LYS A 5 4.268 15.345 0.828 1.00 1.18 C ATOM 62 C LYS A 5 4.083 13.825 0.847 1.00 1.09 C ATOM 63 O LYS A 5 3.529 13.266 1.776 1.00 1.13 O ATOM 64 CB LYS A 5 5.659 15.724 1.346 1.00 1.19 C ATOM 65 CG LYS A 5 5.715 17.223 1.662 1.00 1.32 C ATOM 66 CD LYS A 5 7.147 17.737 1.489 1.00 1.48 C ATOM 67 CE LYS A 5 7.117 19.122 0.833 1.00 1.83 C ATOM 68 NZ LYS A 5 8.462 19.291 0.212 1.00 2.40 N ATOM 0 H LYS A 5 3.364 15.713 2.729 1.00 1.33 H new ATOM 0 HA LYS A 5 4.122 15.669 -0.203 1.00 1.18 H new ATOM 0 HB2 LYS A 5 5.891 15.147 2.241 1.00 1.19 H new ATOM 0 HB3 LYS A 5 6.414 15.473 0.600 1.00 1.19 H new ATOM 0 HG2 LYS A 5 5.041 17.769 1.002 1.00 1.32 H new ATOM 0 HG3 LYS A 5 5.376 17.402 2.682 1.00 1.32 H new ATOM 0 HD2 LYS A 5 7.644 17.792 2.457 1.00 1.48 H new ATOM 0 HD3 LYS A 5 7.722 17.044 0.874 1.00 1.48 H new ATOM 0 HE2 LYS A 5 6.327 19.186 0.085 1.00 1.83 H new ATOM 0 HE3 LYS A 5 6.923 19.902 1.569 1.00 1.83 H new ATOM 0 HZ1 LYS A 5 8.514 20.218 -0.256 1.00 2.40 H new ATOM 0 HZ2 LYS A 5 9.194 19.233 0.948 1.00 2.40 H new ATOM 0 HZ3 LYS A 5 8.617 18.540 -0.490 1.00 2.40 H new ATOM 82 N THR A 6 4.551 13.156 -0.173 1.00 1.02 N ATOM 83 CA THR A 6 4.414 11.666 -0.234 1.00 0.98 C ATOM 84 C THR A 6 5.723 10.992 0.193 1.00 0.91 C ATOM 85 O THR A 6 6.704 11.653 0.480 1.00 0.94 O ATOM 86 CB THR A 6 4.099 11.346 -1.703 1.00 1.05 C ATOM 87 OG1 THR A 6 5.100 11.913 -2.541 1.00 1.53 O ATOM 88 CG2 THR A 6 2.732 11.924 -2.076 1.00 1.69 C ATOM 0 H THR A 6 5.025 13.577 -0.972 1.00 1.02 H new ATOM 0 HA THR A 6 3.635 11.301 0.436 1.00 0.98 H new ATOM 0 HB THR A 6 4.082 10.265 -1.839 1.00 1.05 H new ATOM 0 HG1 THR A 6 4.898 11.706 -3.477 1.00 1.53 H new ATOM 0 HG21 THR A 6 2.512 11.695 -3.119 1.00 1.69 H new ATOM 0 HG22 THR A 6 1.965 11.484 -1.438 1.00 1.69 H new ATOM 0 HG23 THR A 6 2.744 13.005 -1.937 1.00 1.69 H new ATOM 96 N PHE A 7 5.746 9.680 0.232 1.00 0.93 N ATOM 97 CA PHE A 7 6.996 8.960 0.635 1.00 0.94 C ATOM 98 C PHE A 7 8.094 9.175 -0.416 1.00 0.96 C ATOM 99 O PHE A 7 9.256 9.297 -0.083 1.00 1.01 O ATOM 100 CB PHE A 7 6.607 7.480 0.716 1.00 1.01 C ATOM 101 CG PHE A 7 7.405 6.806 1.809 1.00 0.87 C ATOM 102 CD1 PHE A 7 8.695 6.332 1.544 1.00 1.46 C ATOM 103 CD2 PHE A 7 6.853 6.656 3.086 1.00 1.44 C ATOM 104 CE1 PHE A 7 9.433 5.707 2.557 1.00 1.48 C ATOM 105 CE2 PHE A 7 7.590 6.031 4.099 1.00 1.41 C ATOM 106 CZ PHE A 7 8.880 5.557 3.834 1.00 0.84 C ATOM 0 H PHE A 7 4.955 9.078 0.003 1.00 0.93 H new ATOM 0 HA PHE A 7 7.389 9.324 1.584 1.00 0.94 H new ATOM 0 HB2 PHE A 7 5.540 7.384 0.919 1.00 1.01 H new ATOM 0 HB3 PHE A 7 6.795 6.991 -0.240 1.00 1.01 H new ATOM 0 HD1 PHE A 7 9.121 6.448 0.558 1.00 1.46 H new ATOM 0 HD2 PHE A 7 5.858 7.023 3.290 1.00 1.44 H new ATOM 0 HE1 PHE A 7 10.428 5.341 2.353 1.00 1.48 H new ATOM 0 HE2 PHE A 7 7.163 5.915 5.084 1.00 1.41 H new ATOM 0 HZ PHE A 7 9.449 5.075 4.615 1.00 0.84 H new ATOM 116 N LYS A 8 7.735 9.238 -1.678 1.00 1.04 N ATOM 117 CA LYS A 8 8.764 9.466 -2.742 1.00 1.15 C ATOM 118 C LYS A 8 9.319 10.893 -2.630 1.00 1.13 C ATOM 119 O LYS A 8 10.497 11.124 -2.828 1.00 1.27 O ATOM 120 CB LYS A 8 8.027 9.275 -4.071 1.00 1.29 C ATOM 121 CG LYS A 8 9.044 9.046 -5.193 1.00 1.68 C ATOM 122 CD LYS A 8 8.331 9.081 -6.547 1.00 1.99 C ATOM 123 CE LYS A 8 8.325 10.515 -7.088 1.00 2.65 C ATOM 124 NZ LYS A 8 6.992 10.685 -7.734 1.00 2.99 N ATOM 0 H LYS A 8 6.777 9.142 -2.015 1.00 1.04 H new ATOM 0 HA LYS A 8 9.609 8.783 -2.654 1.00 1.15 H new ATOM 0 HB2 LYS A 8 7.348 8.425 -4.003 1.00 1.29 H new ATOM 0 HB3 LYS A 8 7.419 10.153 -4.291 1.00 1.29 H new ATOM 0 HG2 LYS A 8 9.818 9.813 -5.158 1.00 1.68 H new ATOM 0 HG3 LYS A 8 9.541 8.085 -5.057 1.00 1.68 H new ATOM 0 HD2 LYS A 8 8.834 8.418 -7.251 1.00 1.99 H new ATOM 0 HD3 LYS A 8 7.309 8.717 -6.441 1.00 1.99 H new ATOM 0 HE2 LYS A 8 8.469 11.239 -6.286 1.00 2.65 H new ATOM 0 HE3 LYS A 8 9.132 10.669 -7.804 1.00 2.65 H new ATOM 0 HZ1 LYS A 8 6.917 11.645 -8.127 1.00 2.99 H new ATOM 0 HZ2 LYS A 8 6.885 9.988 -8.499 1.00 2.99 H new ATOM 0 HZ3 LYS A 8 6.243 10.541 -7.027 1.00 2.99 H new ATOM 138 N GLN A 9 8.476 11.845 -2.298 1.00 1.05 N ATOM 139 CA GLN A 9 8.942 13.260 -2.153 1.00 1.10 C ATOM 140 C GLN A 9 9.691 13.440 -0.822 1.00 1.05 C ATOM 141 O GLN A 9 10.627 14.213 -0.731 1.00 1.26 O ATOM 142 CB GLN A 9 7.660 14.101 -2.169 1.00 1.23 C ATOM 143 CG GLN A 9 8.012 15.590 -2.100 1.00 1.77 C ATOM 144 CD GLN A 9 6.774 16.426 -2.435 1.00 1.87 C ATOM 145 OE1 GLN A 9 6.065 16.865 -1.551 1.00 2.47 O ATOM 146 NE2 GLN A 9 6.479 16.665 -3.685 1.00 2.22 N ATOM 0 H GLN A 9 7.482 11.700 -2.121 1.00 1.05 H new ATOM 0 HA GLN A 9 9.632 13.552 -2.945 1.00 1.10 H new ATOM 0 HB2 GLN A 9 7.091 13.895 -3.075 1.00 1.23 H new ATOM 0 HB3 GLN A 9 7.026 13.829 -1.325 1.00 1.23 H new ATOM 0 HG2 GLN A 9 8.375 15.842 -1.104 1.00 1.77 H new ATOM 0 HG3 GLN A 9 8.817 15.817 -2.799 1.00 1.77 H new ATOM 0 HE21 GLN A 9 7.073 16.297 -4.428 1.00 2.22 H new ATOM 0 HE22 GLN A 9 5.655 17.219 -3.918 1.00 2.22 H new ATOM 155 N ARG A 10 9.282 12.732 0.209 1.00 1.01 N ATOM 156 CA ARG A 10 9.963 12.860 1.536 1.00 0.99 C ATOM 157 C ARG A 10 11.223 11.986 1.586 1.00 0.90 C ATOM 158 O ARG A 10 12.317 12.475 1.794 1.00 1.00 O ATOM 159 CB ARG A 10 8.933 12.380 2.566 1.00 0.98 C ATOM 160 CG ARG A 10 9.283 12.951 3.942 1.00 1.42 C ATOM 161 CD ARG A 10 8.088 12.788 4.886 1.00 1.55 C ATOM 162 NE ARG A 10 8.011 14.073 5.639 1.00 2.09 N ATOM 163 CZ ARG A 10 8.582 14.181 6.811 1.00 2.68 C ATOM 164 NH1 ARG A 10 9.873 14.379 6.895 1.00 2.95 N ATOM 165 NH2 ARG A 10 7.862 14.094 7.900 1.00 3.53 N ATOM 0 H ARG A 10 8.505 12.071 0.186 1.00 1.01 H new ATOM 0 HA ARG A 10 10.286 13.883 1.729 1.00 0.99 H new ATOM 0 HB2 ARG A 10 7.933 12.699 2.272 1.00 0.98 H new ATOM 0 HB3 ARG A 10 8.922 11.291 2.605 1.00 0.98 H new ATOM 0 HG2 ARG A 10 10.154 12.437 4.349 1.00 1.42 H new ATOM 0 HG3 ARG A 10 9.548 14.005 3.853 1.00 1.42 H new ATOM 0 HD2 ARG A 10 7.169 12.601 4.330 1.00 1.55 H new ATOM 0 HD3 ARG A 10 8.230 11.944 5.560 1.00 1.55 H new ATOM 0 HE ARG A 10 7.513 14.868 5.240 1.00 2.09 H new ATOM 0 HH11 ARG A 10 10.434 14.449 6.046 1.00 2.95 H new ATOM 0 HH12 ARG A 10 10.318 14.463 7.809 1.00 2.95 H new ATOM 0 HH21 ARG A 10 6.855 13.942 7.835 1.00 3.53 H new ATOM 0 HH22 ARG A 10 8.307 14.178 8.814 1.00 3.53 H new ATOM 179 N ARG A 11 11.071 10.699 1.399 1.00 0.77 N ATOM 180 CA ARG A 11 12.253 9.780 1.437 1.00 0.74 C ATOM 181 C ARG A 11 12.925 9.711 0.062 1.00 0.79 C ATOM 182 O ARG A 11 12.272 9.775 -0.964 1.00 1.19 O ATOM 183 CB ARG A 11 11.690 8.409 1.826 1.00 0.65 C ATOM 184 CG ARG A 11 11.780 8.227 3.345 1.00 0.65 C ATOM 185 CD ARG A 11 12.753 7.088 3.667 1.00 0.72 C ATOM 186 NE ARG A 11 13.477 7.533 4.892 1.00 1.10 N ATOM 187 CZ ARG A 11 13.383 6.838 5.996 1.00 1.26 C ATOM 188 NH1 ARG A 11 14.148 5.792 6.179 1.00 1.79 N ATOM 189 NH2 ARG A 11 12.525 7.190 6.919 1.00 1.95 N ATOM 0 H ARG A 11 10.177 10.242 1.221 1.00 0.77 H new ATOM 0 HA ARG A 11 13.010 10.124 2.142 1.00 0.74 H new ATOM 0 HB2 ARG A 11 10.653 8.325 1.501 1.00 0.65 H new ATOM 0 HB3 ARG A 11 12.247 7.620 1.322 1.00 0.65 H new ATOM 0 HG2 ARG A 11 12.118 9.151 3.813 1.00 0.65 H new ATOM 0 HG3 ARG A 11 10.795 8.004 3.754 1.00 0.65 H new ATOM 0 HD2 ARG A 11 12.222 6.152 3.841 1.00 0.72 H new ATOM 0 HD3 ARG A 11 13.444 6.914 2.842 1.00 0.72 H new ATOM 0 HE ARG A 11 14.046 8.379 4.869 1.00 1.10 H new ATOM 0 HH11 ARG A 11 14.818 5.518 5.460 1.00 1.79 H new ATOM 0 HH12 ARG A 11 14.074 5.251 7.040 1.00 1.79 H new ATOM 0 HH21 ARG A 11 11.930 8.006 6.777 1.00 1.95 H new ATOM 0 HH22 ARG A 11 12.451 6.648 7.780 1.00 1.95 H new ATOM 203 N THR A 12 14.227 9.573 0.039 1.00 0.68 N ATOM 204 CA THR A 12 14.963 9.490 -1.262 1.00 0.74 C ATOM 205 C THR A 12 14.919 8.050 -1.793 1.00 0.66 C ATOM 206 O THR A 12 14.652 7.120 -1.055 1.00 0.66 O ATOM 207 CB THR A 12 16.405 9.903 -0.931 1.00 0.84 C ATOM 208 OG1 THR A 12 16.399 11.163 -0.272 1.00 1.37 O ATOM 209 CG2 THR A 12 17.228 10.009 -2.218 1.00 1.47 C ATOM 0 H THR A 12 14.816 9.514 0.870 1.00 0.68 H new ATOM 0 HA THR A 12 14.528 10.128 -2.031 1.00 0.74 H new ATOM 0 HB THR A 12 16.850 9.150 -0.281 1.00 0.84 H new ATOM 0 HG1 THR A 12 17.319 11.425 -0.059 1.00 1.37 H new ATOM 0 HG21 THR A 12 18.249 10.302 -1.974 1.00 1.47 H new ATOM 0 HG22 THR A 12 17.239 9.043 -2.723 1.00 1.47 H new ATOM 0 HG23 THR A 12 16.783 10.757 -2.874 1.00 1.47 H new ATOM 217 N PHE A 13 15.182 7.860 -3.067 1.00 0.66 N ATOM 218 CA PHE A 13 15.161 6.476 -3.645 1.00 0.64 C ATOM 219 C PHE A 13 16.125 5.573 -2.879 1.00 0.59 C ATOM 220 O PHE A 13 15.780 4.477 -2.483 1.00 0.59 O ATOM 221 CB PHE A 13 15.623 6.633 -5.098 1.00 0.76 C ATOM 222 CG PHE A 13 15.381 5.343 -5.857 1.00 0.74 C ATOM 223 CD1 PHE A 13 14.179 4.642 -5.691 1.00 1.56 C ATOM 224 CD2 PHE A 13 16.362 4.846 -6.725 1.00 1.28 C ATOM 225 CE1 PHE A 13 13.964 3.455 -6.388 1.00 1.58 C ATOM 226 CE2 PHE A 13 16.142 3.655 -7.423 1.00 1.32 C ATOM 227 CZ PHE A 13 14.944 2.960 -7.254 1.00 0.84 C ATOM 0 H PHE A 13 15.410 8.602 -3.729 1.00 0.66 H new ATOM 0 HA PHE A 13 14.172 6.023 -3.581 1.00 0.64 H new ATOM 0 HB2 PHE A 13 15.084 7.452 -5.574 1.00 0.76 H new ATOM 0 HB3 PHE A 13 16.682 6.889 -5.127 1.00 0.76 H new ATOM 0 HD1 PHE A 13 13.420 5.022 -5.023 1.00 1.56 H new ATOM 0 HD2 PHE A 13 17.290 5.384 -6.855 1.00 1.28 H new ATOM 0 HE1 PHE A 13 13.037 2.915 -6.259 1.00 1.58 H new ATOM 0 HE2 PHE A 13 16.899 3.273 -8.092 1.00 1.32 H new ATOM 0 HZ PHE A 13 14.774 2.039 -7.792 1.00 0.84 H new ATOM 237 N GLU A 14 17.327 6.040 -2.664 1.00 0.62 N ATOM 238 CA GLU A 14 18.334 5.231 -1.911 1.00 0.66 C ATOM 239 C GLU A 14 17.797 4.902 -0.513 1.00 0.63 C ATOM 240 O GLU A 14 17.882 3.776 -0.062 1.00 0.83 O ATOM 241 CB GLU A 14 19.576 6.121 -1.816 1.00 0.73 C ATOM 242 CG GLU A 14 20.220 6.254 -3.200 1.00 0.83 C ATOM 243 CD GLU A 14 21.573 6.957 -3.069 1.00 0.99 C ATOM 244 OE1 GLU A 14 21.592 8.176 -3.118 1.00 1.53 O ATOM 245 OE2 GLU A 14 22.567 6.264 -2.924 1.00 1.46 O ATOM 0 H GLU A 14 17.657 6.952 -2.979 1.00 0.62 H new ATOM 0 HA GLU A 14 18.556 4.283 -2.402 1.00 0.66 H new ATOM 0 HB2 GLU A 14 19.302 7.105 -1.435 1.00 0.73 H new ATOM 0 HB3 GLU A 14 20.289 5.693 -1.111 1.00 0.73 H new ATOM 0 HG2 GLU A 14 20.352 5.269 -3.647 1.00 0.83 H new ATOM 0 HG3 GLU A 14 19.567 6.820 -3.864 1.00 0.83 H new ATOM 252 N GLN A 15 17.229 5.875 0.167 1.00 0.51 N ATOM 253 CA GLN A 15 16.666 5.619 1.533 1.00 0.53 C ATOM 254 C GLN A 15 15.561 4.559 1.452 1.00 0.50 C ATOM 255 O GLN A 15 15.476 3.679 2.287 1.00 0.58 O ATOM 256 CB GLN A 15 16.084 6.959 1.999 1.00 0.55 C ATOM 257 CG GLN A 15 17.218 7.904 2.408 1.00 0.73 C ATOM 258 CD GLN A 15 17.599 7.651 3.870 1.00 1.29 C ATOM 259 OE1 GLN A 15 18.511 6.899 4.150 1.00 2.00 O ATOM 260 NE2 GLN A 15 16.936 8.256 4.818 1.00 2.02 N ATOM 0 H GLN A 15 17.132 6.834 -0.166 1.00 0.51 H new ATOM 0 HA GLN A 15 17.424 5.249 2.223 1.00 0.53 H new ATOM 0 HB2 GLN A 15 15.495 7.408 1.199 1.00 0.55 H new ATOM 0 HB3 GLN A 15 15.410 6.800 2.840 1.00 0.55 H new ATOM 0 HG2 GLN A 15 18.084 7.749 1.764 1.00 0.73 H new ATOM 0 HG3 GLN A 15 16.906 8.940 2.278 1.00 0.73 H new ATOM 0 HE21 GLN A 15 16.170 8.887 4.582 1.00 2.02 H new ATOM 0 HE22 GLN A 15 17.184 8.097 5.795 1.00 2.02 H new ATOM 269 N ARG A 16 14.727 4.635 0.441 1.00 0.44 N ATOM 270 CA ARG A 16 13.631 3.628 0.282 1.00 0.44 C ATOM 271 C ARG A 16 14.233 2.254 -0.033 1.00 0.46 C ATOM 272 O ARG A 16 13.814 1.249 0.510 1.00 0.61 O ATOM 273 CB ARG A 16 12.783 4.134 -0.887 1.00 0.45 C ATOM 274 CG ARG A 16 11.833 5.226 -0.389 1.00 0.84 C ATOM 275 CD ARG A 16 10.512 5.145 -1.157 1.00 1.29 C ATOM 276 NE ARG A 16 10.350 6.482 -1.796 1.00 1.83 N ATOM 277 CZ ARG A 16 10.911 6.731 -2.951 1.00 2.66 C ATOM 278 NH1 ARG A 16 10.451 6.165 -4.038 1.00 3.23 N ATOM 279 NH2 ARG A 16 11.927 7.551 -3.019 1.00 3.43 N ATOM 0 H ARG A 16 14.759 5.354 -0.282 1.00 0.44 H new ATOM 0 HA ARG A 16 13.033 3.516 1.186 1.00 0.44 H new ATOM 0 HB2 ARG A 16 13.426 4.527 -1.674 1.00 0.45 H new ATOM 0 HB3 ARG A 16 12.214 3.312 -1.321 1.00 0.45 H new ATOM 0 HG2 ARG A 16 11.652 5.106 0.679 1.00 0.84 H new ATOM 0 HG3 ARG A 16 12.286 6.208 -0.527 1.00 0.84 H new ATOM 0 HD2 ARG A 16 10.539 4.352 -1.904 1.00 1.29 H new ATOM 0 HD3 ARG A 16 9.680 4.925 -0.488 1.00 1.29 H new ATOM 0 HE ARG A 16 9.800 7.205 -1.331 1.00 1.83 H new ATOM 0 HH11 ARG A 16 9.655 5.530 -3.984 1.00 3.23 H new ATOM 0 HH12 ARG A 16 10.889 6.359 -4.939 1.00 3.23 H new ATOM 0 HH21 ARG A 16 12.281 7.996 -2.172 1.00 3.43 H new ATOM 0 HH22 ARG A 16 12.366 7.746 -3.919 1.00 3.43 H new ATOM 293 N VAL A 17 15.232 2.210 -0.887 1.00 0.53 N ATOM 294 CA VAL A 17 15.889 0.906 -1.217 1.00 0.56 C ATOM 295 C VAL A 17 16.585 0.362 0.040 1.00 0.58 C ATOM 296 O VAL A 17 16.591 -0.829 0.287 1.00 0.57 O ATOM 297 CB VAL A 17 16.912 1.227 -2.319 1.00 0.63 C ATOM 298 CG1 VAL A 17 17.803 0.007 -2.575 1.00 0.65 C ATOM 299 CG2 VAL A 17 16.173 1.591 -3.612 1.00 0.67 C ATOM 0 H VAL A 17 15.619 3.022 -1.368 1.00 0.53 H new ATOM 0 HA VAL A 17 15.180 0.149 -1.553 1.00 0.56 H new ATOM 0 HB VAL A 17 17.530 2.065 -1.998 1.00 0.63 H new ATOM 0 HG11 VAL A 17 18.525 0.242 -3.357 1.00 0.65 H new ATOM 0 HG12 VAL A 17 18.332 -0.256 -1.659 1.00 0.65 H new ATOM 0 HG13 VAL A 17 17.186 -0.834 -2.891 1.00 0.65 H new ATOM 0 HG21 VAL A 17 16.898 1.819 -4.394 1.00 0.67 H new ATOM 0 HG22 VAL A 17 15.553 0.751 -3.926 1.00 0.67 H new ATOM 0 HG23 VAL A 17 15.542 2.462 -3.437 1.00 0.67 H new ATOM 309 N GLU A 18 17.153 1.238 0.844 1.00 0.63 N ATOM 310 CA GLU A 18 17.833 0.797 2.102 1.00 0.68 C ATOM 311 C GLU A 18 16.825 0.096 3.021 1.00 0.62 C ATOM 312 O GLU A 18 17.146 -0.875 3.680 1.00 0.68 O ATOM 313 CB GLU A 18 18.344 2.084 2.762 1.00 0.75 C ATOM 314 CG GLU A 18 19.722 2.453 2.199 1.00 1.59 C ATOM 315 CD GLU A 18 19.991 3.947 2.427 1.00 2.03 C ATOM 316 OE1 GLU A 18 19.982 4.366 3.573 1.00 2.55 O ATOM 317 OE2 GLU A 18 20.205 4.646 1.451 1.00 2.51 O ATOM 0 H GLU A 18 17.172 2.244 0.678 1.00 0.63 H new ATOM 0 HA GLU A 18 18.642 0.094 1.906 1.00 0.68 H new ATOM 0 HB2 GLU A 18 17.640 2.897 2.585 1.00 0.75 H new ATOM 0 HB3 GLU A 18 18.408 1.948 3.842 1.00 0.75 H new ATOM 0 HG2 GLU A 18 20.495 1.856 2.683 1.00 1.59 H new ATOM 0 HG3 GLU A 18 19.763 2.225 1.134 1.00 1.59 H new ATOM 324 N ASP A 19 15.606 0.581 3.058 1.00 0.55 N ATOM 325 CA ASP A 19 14.560 -0.054 3.922 1.00 0.53 C ATOM 326 C ASP A 19 14.250 -1.469 3.420 1.00 0.48 C ATOM 327 O ASP A 19 14.048 -2.377 4.203 1.00 0.48 O ATOM 328 CB ASP A 19 13.323 0.842 3.793 1.00 0.53 C ATOM 329 CG ASP A 19 13.426 2.017 4.772 1.00 0.65 C ATOM 330 OD1 ASP A 19 13.393 1.775 5.967 1.00 1.12 O ATOM 331 OD2 ASP A 19 13.531 3.140 4.308 1.00 1.37 O ATOM 0 H ASP A 19 15.290 1.391 2.525 1.00 0.55 H new ATOM 0 HA ASP A 19 14.886 -0.144 4.958 1.00 0.53 H new ATOM 0 HB2 ASP A 19 13.238 1.214 2.772 1.00 0.53 H new ATOM 0 HB3 ASP A 19 12.422 0.264 3.998 1.00 0.53 H new ATOM 336 N VAL A 20 14.226 -1.663 2.119 1.00 0.45 N ATOM 337 CA VAL A 20 13.944 -3.027 1.562 1.00 0.44 C ATOM 338 C VAL A 20 15.042 -4.008 1.997 1.00 0.47 C ATOM 339 O VAL A 20 14.791 -5.184 2.178 1.00 0.49 O ATOM 340 CB VAL A 20 13.943 -2.864 0.035 1.00 0.45 C ATOM 341 CG1 VAL A 20 13.663 -4.219 -0.624 1.00 0.48 C ATOM 342 CG2 VAL A 20 12.856 -1.868 -0.380 1.00 0.42 C ATOM 0 H VAL A 20 14.389 -0.937 1.421 1.00 0.45 H new ATOM 0 HA VAL A 20 12.994 -3.423 1.920 1.00 0.44 H new ATOM 0 HB VAL A 20 14.917 -2.493 -0.285 1.00 0.45 H new ATOM 0 HG11 VAL A 20 13.662 -4.103 -1.708 1.00 0.48 H new ATOM 0 HG12 VAL A 20 14.437 -4.931 -0.336 1.00 0.48 H new ATOM 0 HG13 VAL A 20 12.691 -4.588 -0.298 1.00 0.48 H new ATOM 0 HG21 VAL A 20 12.860 -1.756 -1.464 1.00 0.42 H new ATOM 0 HG22 VAL A 20 11.882 -2.236 -0.057 1.00 0.42 H new ATOM 0 HG23 VAL A 20 13.051 -0.902 0.085 1.00 0.42 H new ATOM 352 N ARG A 21 16.252 -3.526 2.176 1.00 0.50 N ATOM 353 CA ARG A 21 17.368 -4.422 2.613 1.00 0.55 C ATOM 354 C ARG A 21 17.037 -5.038 3.976 1.00 0.53 C ATOM 355 O ARG A 21 17.195 -6.225 4.182 1.00 0.54 O ATOM 356 CB ARG A 21 18.607 -3.523 2.724 1.00 0.63 C ATOM 357 CG ARG A 21 18.952 -2.920 1.358 1.00 0.67 C ATOM 358 CD ARG A 21 19.377 -4.033 0.397 1.00 0.76 C ATOM 359 NE ARG A 21 20.593 -3.511 -0.289 1.00 0.86 N ATOM 360 CZ ARG A 21 21.684 -4.229 -0.322 1.00 1.41 C ATOM 361 NH1 ARG A 21 22.513 -4.205 0.689 1.00 2.28 N ATOM 362 NH2 ARG A 21 21.945 -4.971 -1.368 1.00 1.95 N ATOM 0 H ARG A 21 16.512 -2.550 2.038 1.00 0.50 H new ATOM 0 HA ARG A 21 17.530 -5.241 1.912 1.00 0.55 H new ATOM 0 HB2 ARG A 21 18.423 -2.726 3.445 1.00 0.63 H new ATOM 0 HB3 ARG A 21 19.452 -4.102 3.097 1.00 0.63 H new ATOM 0 HG2 ARG A 21 18.090 -2.388 0.956 1.00 0.67 H new ATOM 0 HG3 ARG A 21 19.755 -2.191 1.464 1.00 0.67 H new ATOM 0 HD2 ARG A 21 19.593 -4.956 0.934 1.00 0.76 H new ATOM 0 HD3 ARG A 21 18.587 -4.259 -0.319 1.00 0.76 H new ATOM 0 HE ARG A 21 20.573 -2.593 -0.733 1.00 0.86 H new ATOM 0 HH11 ARG A 21 22.308 -3.626 1.503 1.00 2.28 H new ATOM 0 HH12 ARG A 21 23.365 -4.765 0.663 1.00 2.28 H new ATOM 0 HH21 ARG A 21 21.297 -4.988 -2.156 1.00 1.95 H new ATOM 0 HH22 ARG A 21 22.796 -5.532 -1.396 1.00 1.95 H new ATOM 376 N LEU A 22 16.569 -4.234 4.900 1.00 0.53 N ATOM 377 CA LEU A 22 16.215 -4.760 6.258 1.00 0.54 C ATOM 378 C LEU A 22 14.943 -5.615 6.190 1.00 0.48 C ATOM 379 O LEU A 22 14.828 -6.619 6.866 1.00 0.50 O ATOM 380 CB LEU A 22 15.980 -3.520 7.125 1.00 0.59 C ATOM 381 CG LEU A 22 17.325 -2.962 7.597 1.00 0.67 C ATOM 382 CD1 LEU A 22 17.720 -1.768 6.724 1.00 0.68 C ATOM 383 CD2 LEU A 22 17.205 -2.510 9.055 1.00 0.79 C ATOM 0 H LEU A 22 16.416 -3.234 4.773 1.00 0.53 H new ATOM 0 HA LEU A 22 17.002 -5.396 6.663 1.00 0.54 H new ATOM 0 HB2 LEU A 22 15.440 -2.763 6.556 1.00 0.59 H new ATOM 0 HB3 LEU A 22 15.359 -3.776 7.984 1.00 0.59 H new ATOM 0 HG LEU A 22 18.087 -3.737 7.517 1.00 0.67 H new ATOM 0 HD11 LEU A 22 18.678 -1.372 7.061 1.00 0.68 H new ATOM 0 HD12 LEU A 22 17.805 -2.089 5.686 1.00 0.68 H new ATOM 0 HD13 LEU A 22 16.958 -0.992 6.803 1.00 0.68 H new ATOM 0 HD21 LEU A 22 18.162 -2.112 9.393 1.00 0.79 H new ATOM 0 HD22 LEU A 22 16.442 -1.736 9.134 1.00 0.79 H new ATOM 0 HD23 LEU A 22 16.925 -3.360 9.678 1.00 0.79 H new ATOM 395 N ILE A 23 13.990 -5.218 5.380 1.00 0.41 N ATOM 396 CA ILE A 23 12.714 -5.993 5.255 1.00 0.36 C ATOM 397 C ILE A 23 12.984 -7.409 4.732 1.00 0.36 C ATOM 398 O ILE A 23 12.432 -8.368 5.230 1.00 0.38 O ATOM 399 CB ILE A 23 11.866 -5.199 4.254 1.00 0.30 C ATOM 400 CG1 ILE A 23 11.346 -3.929 4.938 1.00 0.35 C ATOM 401 CG2 ILE A 23 10.684 -6.053 3.777 1.00 0.26 C ATOM 402 CD1 ILE A 23 10.596 -3.057 3.927 1.00 0.34 C ATOM 0 H ILE A 23 14.042 -4.384 4.796 1.00 0.41 H new ATOM 0 HA ILE A 23 12.213 -6.111 6.216 1.00 0.36 H new ATOM 0 HB ILE A 23 12.475 -4.930 3.391 1.00 0.30 H new ATOM 0 HG12 ILE A 23 10.684 -4.195 5.762 1.00 0.35 H new ATOM 0 HG13 ILE A 23 12.178 -3.370 5.366 1.00 0.35 H new ATOM 0 HG21 ILE A 23 10.086 -5.482 3.066 1.00 0.26 H new ATOM 0 HG22 ILE A 23 11.059 -6.955 3.294 1.00 0.26 H new ATOM 0 HG23 ILE A 23 10.066 -6.329 4.632 1.00 0.26 H new ATOM 0 HD11 ILE A 23 10.231 -2.158 4.423 1.00 0.34 H new ATOM 0 HD12 ILE A 23 11.270 -2.777 3.117 1.00 0.34 H new ATOM 0 HD13 ILE A 23 9.753 -3.615 3.520 1.00 0.34 H new ATOM 414 N ARG A 24 13.821 -7.546 3.735 1.00 0.38 N ATOM 415 CA ARG A 24 14.115 -8.907 3.189 1.00 0.44 C ATOM 416 C ARG A 24 15.088 -9.653 4.111 1.00 0.52 C ATOM 417 O ARG A 24 15.003 -10.858 4.257 1.00 0.59 O ATOM 418 CB ARG A 24 14.717 -8.673 1.805 1.00 0.46 C ATOM 419 CG ARG A 24 13.671 -8.011 0.896 1.00 0.48 C ATOM 420 CD ARG A 24 12.374 -8.835 0.876 1.00 0.64 C ATOM 421 NE ARG A 24 11.393 -7.989 0.140 1.00 0.85 N ATOM 422 CZ ARG A 24 10.871 -8.414 -0.980 1.00 1.22 C ATOM 423 NH1 ARG A 24 9.882 -9.273 -0.959 1.00 1.69 N ATOM 424 NH2 ARG A 24 11.338 -7.981 -2.122 1.00 2.05 N ATOM 0 H ARG A 24 14.312 -6.778 3.277 1.00 0.38 H new ATOM 0 HA ARG A 24 13.221 -9.527 3.125 1.00 0.44 H new ATOM 0 HB2 ARG A 24 15.600 -8.038 1.883 1.00 0.46 H new ATOM 0 HB3 ARG A 24 15.042 -9.620 1.374 1.00 0.46 H new ATOM 0 HG2 ARG A 24 13.461 -7.001 1.249 1.00 0.48 H new ATOM 0 HG3 ARG A 24 14.066 -7.920 -0.116 1.00 0.48 H new ATOM 0 HD2 ARG A 24 12.522 -9.793 0.377 1.00 0.64 H new ATOM 0 HD3 ARG A 24 12.028 -9.052 1.887 1.00 0.64 H new ATOM 0 HE ARG A 24 11.128 -7.076 0.511 1.00 0.85 H new ATOM 0 HH11 ARG A 24 9.519 -9.611 -0.068 1.00 1.69 H new ATOM 0 HH12 ARG A 24 9.475 -9.604 -1.834 1.00 1.69 H new ATOM 0 HH21 ARG A 24 12.108 -7.313 -2.137 1.00 2.05 H new ATOM 0 HH22 ARG A 24 10.932 -8.312 -2.997 1.00 2.05 H new ATOM 438 N GLU A 25 15.992 -8.947 4.754 1.00 0.56 N ATOM 439 CA GLU A 25 16.945 -9.621 5.692 1.00 0.66 C ATOM 440 C GLU A 25 16.164 -10.187 6.885 1.00 0.69 C ATOM 441 O GLU A 25 16.362 -11.317 7.288 1.00 0.81 O ATOM 442 CB GLU A 25 17.914 -8.527 6.153 1.00 0.72 C ATOM 443 CG GLU A 25 19.104 -8.454 5.193 1.00 0.89 C ATOM 444 CD GLU A 25 20.024 -7.298 5.600 1.00 1.19 C ATOM 445 OE1 GLU A 25 20.718 -7.440 6.593 1.00 1.73 O ATOM 446 OE2 GLU A 25 20.019 -6.291 4.911 1.00 1.71 O ATOM 0 H GLU A 25 16.109 -7.937 4.669 1.00 0.56 H new ATOM 0 HA GLU A 25 17.478 -10.447 5.222 1.00 0.66 H new ATOM 0 HB2 GLU A 25 17.402 -7.565 6.187 1.00 0.72 H new ATOM 0 HB3 GLU A 25 18.262 -8.739 7.164 1.00 0.72 H new ATOM 0 HG2 GLU A 25 19.656 -9.394 5.210 1.00 0.89 H new ATOM 0 HG3 GLU A 25 18.752 -8.309 4.172 1.00 0.89 H new ATOM 453 N GLN A 26 15.261 -9.406 7.435 1.00 0.64 N ATOM 454 CA GLN A 26 14.441 -9.888 8.588 1.00 0.73 C ATOM 455 C GLN A 26 13.309 -10.788 8.078 1.00 0.71 C ATOM 456 O GLN A 26 13.050 -11.841 8.631 1.00 0.85 O ATOM 457 CB GLN A 26 13.869 -8.625 9.238 1.00 0.76 C ATOM 458 CG GLN A 26 14.913 -8.020 10.178 1.00 0.87 C ATOM 459 CD GLN A 26 14.554 -8.353 11.628 1.00 1.33 C ATOM 460 OE1 GLN A 26 15.023 -9.333 12.171 1.00 2.00 O ATOM 461 NE2 GLN A 26 13.736 -7.573 12.283 1.00 1.91 N ATOM 0 H GLN A 26 15.059 -8.453 7.132 1.00 0.64 H new ATOM 0 HA GLN A 26 15.028 -10.472 9.296 1.00 0.73 H new ATOM 0 HB2 GLN A 26 13.592 -7.902 8.471 1.00 0.76 H new ATOM 0 HB3 GLN A 26 12.962 -8.867 9.792 1.00 0.76 H new ATOM 0 HG2 GLN A 26 15.902 -8.411 9.939 1.00 0.87 H new ATOM 0 HG3 GLN A 26 14.956 -6.939 10.043 1.00 0.87 H new ATOM 0 HE21 GLN A 26 13.342 -6.750 11.828 1.00 1.91 H new ATOM 0 HE22 GLN A 26 13.492 -7.787 13.250 1.00 1.91 H new ATOM 470 N HIS A 27 12.637 -10.379 7.025 1.00 0.58 N ATOM 471 CA HIS A 27 11.522 -11.206 6.468 1.00 0.60 C ATOM 472 C HIS A 27 11.835 -11.610 5.019 1.00 0.70 C ATOM 473 O HIS A 27 11.398 -10.960 4.086 1.00 0.83 O ATOM 474 CB HIS A 27 10.284 -10.306 6.513 1.00 0.47 C ATOM 475 CG HIS A 27 9.903 -10.033 7.943 1.00 0.72 C ATOM 476 ND1 HIS A 27 8.980 -10.811 8.624 1.00 1.22 N ATOM 477 CD2 HIS A 27 10.313 -9.071 8.833 1.00 0.72 C ATOM 478 CE1 HIS A 27 8.865 -10.307 9.866 1.00 1.45 C ATOM 479 NE2 HIS A 27 9.656 -9.246 10.047 1.00 1.13 N ATOM 0 H HIS A 27 12.815 -9.506 6.528 1.00 0.58 H new ATOM 0 HA HIS A 27 11.375 -12.125 7.035 1.00 0.60 H new ATOM 0 HB2 HIS A 27 10.486 -9.368 5.996 1.00 0.47 H new ATOM 0 HB3 HIS A 27 9.456 -10.786 5.992 1.00 0.47 H new ATOM 0 HD2 HIS A 27 11.036 -8.296 8.623 1.00 0.72 H new ATOM 0 HE1 HIS A 27 8.212 -10.711 10.625 1.00 1.45 H new ATOM 0 HE2 HIS A 27 9.757 -8.685 10.893 1.00 1.13 H new ATOM 487 N PRO A 28 12.579 -12.682 4.875 1.00 0.95 N ATOM 488 CA PRO A 28 12.942 -13.179 3.521 1.00 1.20 C ATOM 489 C PRO A 28 11.725 -13.817 2.828 1.00 0.96 C ATOM 490 O PRO A 28 11.677 -13.907 1.615 1.00 1.31 O ATOM 491 CB PRO A 28 14.021 -14.222 3.801 1.00 1.63 C ATOM 492 CG PRO A 28 13.767 -14.681 5.201 1.00 1.62 C ATOM 493 CD PRO A 28 13.147 -13.522 5.939 1.00 1.24 C ATOM 0 HA PRO A 28 13.282 -12.387 2.854 1.00 1.20 H new ATOM 0 HB2 PRO A 28 13.959 -15.052 3.097 1.00 1.63 H new ATOM 0 HB3 PRO A 28 15.018 -13.794 3.702 1.00 1.63 H new ATOM 0 HG2 PRO A 28 13.101 -15.544 5.209 1.00 1.62 H new ATOM 0 HG3 PRO A 28 14.696 -14.991 5.680 1.00 1.62 H new ATOM 0 HD2 PRO A 28 12.378 -13.858 6.635 1.00 1.24 H new ATOM 0 HD3 PRO A 28 13.890 -12.978 6.523 1.00 1.24 H new ATOM 501 N THR A 29 10.747 -14.260 3.588 1.00 0.54 N ATOM 502 CA THR A 29 9.538 -14.896 2.976 1.00 0.54 C ATOM 503 C THR A 29 8.301 -13.992 3.140 1.00 0.45 C ATOM 504 O THR A 29 7.212 -14.465 3.413 1.00 0.47 O ATOM 505 CB THR A 29 9.351 -16.219 3.736 1.00 0.60 C ATOM 506 OG1 THR A 29 9.348 -15.972 5.137 1.00 1.24 O ATOM 507 CG2 THR A 29 10.493 -17.180 3.391 1.00 1.43 C ATOM 0 H THR A 29 10.737 -14.207 4.607 1.00 0.54 H new ATOM 0 HA THR A 29 9.662 -15.056 1.905 1.00 0.54 H new ATOM 0 HB THR A 29 8.401 -16.666 3.445 1.00 0.60 H new ATOM 0 HG1 THR A 29 9.227 -16.817 5.618 1.00 1.24 H new ATOM 0 HG21 THR A 29 10.356 -18.116 3.932 1.00 1.43 H new ATOM 0 HG22 THR A 29 10.492 -17.377 2.319 1.00 1.43 H new ATOM 0 HG23 THR A 29 11.445 -16.732 3.676 1.00 1.43 H new ATOM 515 N LYS A 30 8.456 -12.696 2.966 1.00 0.38 N ATOM 516 CA LYS A 30 7.285 -11.772 3.106 1.00 0.33 C ATOM 517 C LYS A 30 7.307 -10.708 2.001 1.00 0.28 C ATOM 518 O LYS A 30 8.238 -10.624 1.221 1.00 0.31 O ATOM 519 CB LYS A 30 7.449 -11.106 4.474 1.00 0.33 C ATOM 520 CG LYS A 30 7.142 -12.112 5.589 1.00 0.42 C ATOM 521 CD LYS A 30 5.944 -11.620 6.405 1.00 0.83 C ATOM 522 CE LYS A 30 5.351 -12.788 7.196 1.00 1.21 C ATOM 523 NZ LYS A 30 4.213 -12.203 7.962 1.00 1.76 N ATOM 0 H LYS A 30 9.340 -12.243 2.734 1.00 0.38 H new ATOM 0 HA LYS A 30 6.340 -12.308 3.022 1.00 0.33 H new ATOM 0 HB2 LYS A 30 8.466 -10.728 4.584 1.00 0.33 H new ATOM 0 HB3 LYS A 30 6.780 -10.249 4.552 1.00 0.33 H new ATOM 0 HG2 LYS A 30 6.927 -13.091 5.161 1.00 0.42 H new ATOM 0 HG3 LYS A 30 8.012 -12.231 6.235 1.00 0.42 H new ATOM 0 HD2 LYS A 30 6.255 -10.827 7.085 1.00 0.83 H new ATOM 0 HD3 LYS A 30 5.190 -11.195 5.743 1.00 0.83 H new ATOM 0 HE2 LYS A 30 5.011 -13.582 6.531 1.00 1.21 H new ATOM 0 HE3 LYS A 30 6.091 -13.227 7.865 1.00 1.21 H new ATOM 0 HZ1 LYS A 30 3.757 -12.946 8.529 1.00 1.76 H new ATOM 0 HZ2 LYS A 30 4.567 -11.455 8.592 1.00 1.76 H new ATOM 0 HZ3 LYS A 30 3.520 -11.799 7.300 1.00 1.76 H new ATOM 537 N ILE A 31 6.268 -9.914 1.921 1.00 0.25 N ATOM 538 CA ILE A 31 6.186 -8.863 0.859 1.00 0.23 C ATOM 539 C ILE A 31 5.967 -7.469 1.475 1.00 0.22 C ATOM 540 O ILE A 31 5.002 -7.255 2.182 1.00 0.23 O ATOM 541 CB ILE A 31 4.968 -9.263 0.020 1.00 0.23 C ATOM 542 CG1 ILE A 31 5.146 -10.708 -0.481 1.00 0.26 C ATOM 543 CG2 ILE A 31 4.827 -8.301 -1.165 1.00 0.26 C ATOM 544 CD1 ILE A 31 4.167 -11.002 -1.619 1.00 0.30 C ATOM 0 H ILE A 31 5.467 -9.949 2.551 1.00 0.25 H new ATOM 0 HA ILE A 31 7.104 -8.803 0.274 1.00 0.23 H new ATOM 0 HB ILE A 31 4.065 -9.208 0.628 1.00 0.23 H new ATOM 0 HG12 ILE A 31 6.169 -10.857 -0.826 1.00 0.26 H new ATOM 0 HG13 ILE A 31 4.981 -11.407 0.339 1.00 0.26 H new ATOM 0 HG21 ILE A 31 3.961 -8.585 -1.763 1.00 0.26 H new ATOM 0 HG22 ILE A 31 4.695 -7.284 -0.795 1.00 0.26 H new ATOM 0 HG23 ILE A 31 5.725 -8.349 -1.781 1.00 0.26 H new ATOM 0 HD11 ILE A 31 4.305 -12.027 -1.962 1.00 0.30 H new ATOM 0 HD12 ILE A 31 3.145 -10.874 -1.262 1.00 0.30 H new ATOM 0 HD13 ILE A 31 4.352 -10.315 -2.445 1.00 0.30 H new ATOM 556 N PRO A 32 6.866 -6.559 1.169 1.00 0.23 N ATOM 557 CA PRO A 32 6.754 -5.169 1.686 1.00 0.24 C ATOM 558 C PRO A 32 5.700 -4.380 0.888 1.00 0.23 C ATOM 559 O PRO A 32 5.470 -4.645 -0.280 1.00 0.24 O ATOM 560 CB PRO A 32 8.145 -4.592 1.461 1.00 0.26 C ATOM 561 CG PRO A 32 8.731 -5.386 0.335 1.00 0.27 C ATOM 562 CD PRO A 32 8.058 -6.736 0.327 1.00 0.25 C ATOM 0 HA PRO A 32 6.441 -5.125 2.729 1.00 0.24 H new ATOM 0 HB2 PRO A 32 8.094 -3.533 1.209 1.00 0.26 H new ATOM 0 HB3 PRO A 32 8.755 -4.677 2.360 1.00 0.26 H new ATOM 0 HG2 PRO A 32 8.575 -4.875 -0.615 1.00 0.27 H new ATOM 0 HG3 PRO A 32 9.808 -5.496 0.464 1.00 0.27 H new ATOM 0 HD2 PRO A 32 7.788 -7.039 -0.685 1.00 0.25 H new ATOM 0 HD3 PRO A 32 8.715 -7.509 0.726 1.00 0.25 H new ATOM 570 N VAL A 33 5.054 -3.418 1.511 1.00 0.24 N ATOM 571 CA VAL A 33 4.007 -2.622 0.790 1.00 0.25 C ATOM 572 C VAL A 33 4.109 -1.127 1.137 1.00 0.26 C ATOM 573 O VAL A 33 4.392 -0.758 2.260 1.00 0.28 O ATOM 574 CB VAL A 33 2.664 -3.190 1.279 1.00 0.27 C ATOM 575 CG1 VAL A 33 1.511 -2.435 0.612 1.00 0.30 C ATOM 576 CG2 VAL A 33 2.565 -4.678 0.919 1.00 0.31 C ATOM 0 H VAL A 33 5.207 -3.151 2.484 1.00 0.24 H new ATOM 0 HA VAL A 33 4.122 -2.698 -0.291 1.00 0.25 H new ATOM 0 HB VAL A 33 2.603 -3.072 2.361 1.00 0.27 H new ATOM 0 HG11 VAL A 33 0.561 -2.840 0.961 1.00 0.30 H new ATOM 0 HG12 VAL A 33 1.571 -1.378 0.870 1.00 0.30 H new ATOM 0 HG13 VAL A 33 1.579 -2.549 -0.470 1.00 0.30 H new ATOM 0 HG21 VAL A 33 1.611 -5.074 1.268 1.00 0.31 H new ATOM 0 HG22 VAL A 33 2.633 -4.796 -0.162 1.00 0.31 H new ATOM 0 HG23 VAL A 33 3.380 -5.223 1.395 1.00 0.31 H new ATOM 586 N ILE A 34 3.857 -0.271 0.171 1.00 0.27 N ATOM 587 CA ILE A 34 3.908 1.209 0.415 1.00 0.30 C ATOM 588 C ILE A 34 2.625 1.850 -0.135 1.00 0.30 C ATOM 589 O ILE A 34 2.522 2.126 -1.317 1.00 0.31 O ATOM 590 CB ILE A 34 5.129 1.723 -0.365 1.00 0.31 C ATOM 591 CG1 ILE A 34 6.404 1.027 0.127 1.00 0.40 C ATOM 592 CG2 ILE A 34 5.266 3.239 -0.168 1.00 0.38 C ATOM 593 CD1 ILE A 34 6.693 1.407 1.581 1.00 0.53 C ATOM 0 H ILE A 34 3.616 -0.537 -0.784 1.00 0.27 H new ATOM 0 HA ILE A 34 3.985 1.451 1.475 1.00 0.30 H new ATOM 0 HB ILE A 34 4.989 1.502 -1.423 1.00 0.31 H new ATOM 0 HG12 ILE A 34 6.291 -0.054 0.043 1.00 0.40 H new ATOM 0 HG13 ILE A 34 7.247 1.310 -0.504 1.00 0.40 H new ATOM 0 HG21 ILE A 34 6.132 3.601 -0.722 1.00 0.38 H new ATOM 0 HG22 ILE A 34 4.368 3.736 -0.534 1.00 0.38 H new ATOM 0 HG23 ILE A 34 5.396 3.458 0.892 1.00 0.38 H new ATOM 0 HD11 ILE A 34 7.601 0.905 1.915 1.00 0.53 H new ATOM 0 HD12 ILE A 34 6.827 2.486 1.655 1.00 0.53 H new ATOM 0 HD13 ILE A 34 5.857 1.101 2.210 1.00 0.53 H new ATOM 605 N ILE A 35 1.644 2.080 0.703 1.00 0.31 N ATOM 606 CA ILE A 35 0.370 2.692 0.207 1.00 0.32 C ATOM 607 C ILE A 35 0.202 4.116 0.756 1.00 0.34 C ATOM 608 O ILE A 35 0.501 4.392 1.904 1.00 0.38 O ATOM 609 CB ILE A 35 -0.750 1.770 0.707 1.00 0.35 C ATOM 610 CG1 ILE A 35 -0.658 0.422 -0.018 1.00 0.33 C ATOM 611 CG2 ILE A 35 -2.112 2.409 0.417 1.00 0.48 C ATOM 612 CD1 ILE A 35 -1.507 -0.623 0.713 1.00 0.37 C ATOM 0 H ILE A 35 1.668 1.873 1.701 1.00 0.31 H new ATOM 0 HA ILE A 35 0.358 2.780 -0.879 1.00 0.32 H new ATOM 0 HB ILE A 35 -0.642 1.619 1.781 1.00 0.35 H new ATOM 0 HG12 ILE A 35 -1.003 0.528 -1.047 1.00 0.33 H new ATOM 0 HG13 ILE A 35 0.380 0.093 -0.062 1.00 0.33 H new ATOM 0 HG21 ILE A 35 -2.905 1.752 0.773 1.00 0.48 H new ATOM 0 HG22 ILE A 35 -2.179 3.369 0.928 1.00 0.48 H new ATOM 0 HG23 ILE A 35 -2.221 2.561 -0.657 1.00 0.48 H new ATOM 0 HD11 ILE A 35 -1.437 -1.578 0.192 1.00 0.37 H new ATOM 0 HD12 ILE A 35 -1.142 -0.739 1.734 1.00 0.37 H new ATOM 0 HD13 ILE A 35 -2.547 -0.297 0.734 1.00 0.37 H new ATOM 624 N GLU A 36 -0.275 5.017 -0.071 1.00 0.35 N ATOM 625 CA GLU A 36 -0.474 6.431 0.362 1.00 0.40 C ATOM 626 C GLU A 36 -1.852 6.933 -0.094 1.00 0.40 C ATOM 627 O GLU A 36 -2.668 6.173 -0.581 1.00 0.35 O ATOM 628 CB GLU A 36 0.636 7.210 -0.348 1.00 0.47 C ATOM 629 CG GLU A 36 1.902 7.212 0.514 1.00 0.52 C ATOM 630 CD GLU A 36 1.835 8.359 1.528 1.00 1.00 C ATOM 631 OE1 GLU A 36 2.231 9.459 1.178 1.00 1.83 O ATOM 632 OE2 GLU A 36 1.389 8.117 2.638 1.00 1.40 O ATOM 0 H GLU A 36 -0.537 4.827 -1.038 1.00 0.35 H new ATOM 0 HA GLU A 36 -0.434 6.546 1.445 1.00 0.40 H new ATOM 0 HB2 GLU A 36 0.846 6.759 -1.318 1.00 0.47 H new ATOM 0 HB3 GLU A 36 0.311 8.233 -0.536 1.00 0.47 H new ATOM 0 HG2 GLU A 36 2.001 6.259 1.034 1.00 0.52 H new ATOM 0 HG3 GLU A 36 2.783 7.323 -0.118 1.00 0.52 H new ATOM 639 N ARG A 37 -2.112 8.209 0.053 1.00 0.47 N ATOM 640 CA ARG A 37 -3.432 8.763 -0.381 1.00 0.48 C ATOM 641 C ARG A 37 -3.454 8.949 -1.905 1.00 0.49 C ATOM 642 O ARG A 37 -2.464 9.327 -2.508 1.00 0.60 O ATOM 643 CB ARG A 37 -3.571 10.114 0.339 1.00 0.57 C ATOM 644 CG ARG A 37 -2.443 11.068 -0.080 1.00 0.65 C ATOM 645 CD ARG A 37 -1.717 11.584 1.167 1.00 0.92 C ATOM 646 NE ARG A 37 -0.336 11.902 0.705 1.00 1.43 N ATOM 647 CZ ARG A 37 0.125 13.121 0.813 1.00 2.05 C ATOM 648 NH1 ARG A 37 -0.097 13.993 -0.136 1.00 2.72 N ATOM 649 NH2 ARG A 37 0.807 13.467 1.873 1.00 2.68 N ATOM 0 H ARG A 37 -1.468 8.890 0.454 1.00 0.47 H new ATOM 0 HA ARG A 37 -4.257 8.095 -0.133 1.00 0.48 H new ATOM 0 HB2 ARG A 37 -4.538 10.560 0.104 1.00 0.57 H new ATOM 0 HB3 ARG A 37 -3.544 9.962 1.418 1.00 0.57 H new ATOM 0 HG2 ARG A 37 -1.741 10.552 -0.735 1.00 0.65 H new ATOM 0 HG3 ARG A 37 -2.852 11.904 -0.647 1.00 0.65 H new ATOM 0 HD2 ARG A 37 -2.210 12.467 1.574 1.00 0.92 H new ATOM 0 HD3 ARG A 37 -1.706 10.833 1.957 1.00 0.92 H new ATOM 0 HE ARG A 37 0.249 11.169 0.305 1.00 1.43 H new ATOM 0 HH11 ARG A 37 -0.631 13.723 -0.962 1.00 2.72 H new ATOM 0 HH12 ARG A 37 0.263 14.943 -0.050 1.00 2.72 H new ATOM 0 HH21 ARG A 37 0.979 12.787 2.614 1.00 2.68 H new ATOM 0 HH22 ARG A 37 1.168 14.417 1.960 1.00 2.68 H new ATOM 663 N TYR A 38 -4.576 8.685 -2.532 1.00 0.45 N ATOM 664 CA TYR A 38 -4.664 8.846 -4.018 1.00 0.46 C ATOM 665 C TYR A 38 -4.768 10.336 -4.381 1.00 0.56 C ATOM 666 O TYR A 38 -5.488 11.089 -3.752 1.00 0.69 O ATOM 667 CB TYR A 38 -5.933 8.086 -4.433 1.00 0.48 C ATOM 668 CG TYR A 38 -6.116 8.148 -5.937 1.00 0.55 C ATOM 669 CD1 TYR A 38 -5.005 8.080 -6.791 1.00 1.40 C ATOM 670 CD2 TYR A 38 -7.402 8.277 -6.475 1.00 1.25 C ATOM 671 CE1 TYR A 38 -5.183 8.142 -8.177 1.00 1.47 C ATOM 672 CE2 TYR A 38 -7.578 8.340 -7.862 1.00 1.29 C ATOM 673 CZ TYR A 38 -6.470 8.273 -8.713 1.00 0.76 C ATOM 674 OH TYR A 38 -6.645 8.335 -10.081 1.00 0.88 O ATOM 0 H TYR A 38 -5.433 8.366 -2.080 1.00 0.45 H new ATOM 0 HA TYR A 38 -3.783 8.459 -4.531 1.00 0.46 H new ATOM 0 HB2 TYR A 38 -5.864 7.047 -4.111 1.00 0.48 H new ATOM 0 HB3 TYR A 38 -6.802 8.517 -3.936 1.00 0.48 H new ATOM 0 HD1 TYR A 38 -4.012 7.980 -6.378 1.00 1.40 H new ATOM 0 HD2 TYR A 38 -8.259 8.328 -5.819 1.00 1.25 H new ATOM 0 HE1 TYR A 38 -4.327 8.089 -8.834 1.00 1.47 H new ATOM 0 HE2 TYR A 38 -8.571 8.440 -8.276 1.00 1.29 H new ATOM 0 HH TYR A 38 -6.022 7.719 -10.519 1.00 0.88 H new ATOM 684 N LYS A 39 -4.043 10.760 -5.391 1.00 0.64 N ATOM 685 CA LYS A 39 -4.078 12.200 -5.807 1.00 0.77 C ATOM 686 C LYS A 39 -5.470 12.586 -6.331 1.00 0.87 C ATOM 687 O LYS A 39 -5.974 13.654 -6.033 1.00 1.73 O ATOM 688 CB LYS A 39 -3.038 12.321 -6.927 1.00 0.95 C ATOM 689 CG LYS A 39 -1.628 12.228 -6.336 1.00 1.65 C ATOM 690 CD LYS A 39 -0.610 12.744 -7.358 1.00 2.10 C ATOM 691 CE LYS A 39 0.759 12.113 -7.082 1.00 2.59 C ATOM 692 NZ LYS A 39 1.746 13.006 -7.757 1.00 2.85 N ATOM 0 H LYS A 39 -3.426 10.168 -5.947 1.00 0.64 H new ATOM 0 HA LYS A 39 -3.863 12.864 -4.970 1.00 0.77 H new ATOM 0 HB2 LYS A 39 -3.187 11.530 -7.662 1.00 0.95 H new ATOM 0 HB3 LYS A 39 -3.162 13.269 -7.450 1.00 0.95 H new ATOM 0 HG2 LYS A 39 -1.567 12.814 -5.419 1.00 1.65 H new ATOM 0 HG3 LYS A 39 -1.401 11.196 -6.070 1.00 1.65 H new ATOM 0 HD2 LYS A 39 -0.938 12.499 -8.368 1.00 2.10 H new ATOM 0 HD3 LYS A 39 -0.540 13.830 -7.300 1.00 2.10 H new ATOM 0 HE2 LYS A 39 0.954 12.049 -6.012 1.00 2.59 H new ATOM 0 HE3 LYS A 39 0.812 11.098 -7.477 1.00 2.59 H new ATOM 0 HZ1 LYS A 39 2.707 12.635 -7.610 1.00 2.85 H new ATOM 0 HZ2 LYS A 39 1.541 13.043 -8.776 1.00 2.85 H new ATOM 0 HZ3 LYS A 39 1.679 13.963 -7.356 1.00 2.85 H new ATOM 706 N GLY A 40 -6.091 11.727 -7.108 1.00 0.74 N ATOM 707 CA GLY A 40 -7.447 12.038 -7.659 1.00 0.92 C ATOM 708 C GLY A 40 -8.479 12.113 -6.526 1.00 0.94 C ATOM 709 O GLY A 40 -9.382 12.928 -6.557 1.00 1.16 O ATOM 0 H GLY A 40 -5.713 10.821 -7.384 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.419 12.985 -8.198 1.00 0.92 H new ATOM 0 HA3 GLY A 40 -7.740 11.271 -8.376 1.00 0.92 H new ATOM 713 N GLU A 41 -8.351 11.271 -5.530 1.00 0.85 N ATOM 714 CA GLU A 41 -9.321 11.289 -4.393 1.00 1.07 C ATOM 715 C GLU A 41 -8.606 11.705 -3.101 1.00 1.15 C ATOM 716 O GLU A 41 -8.034 10.887 -2.403 1.00 1.75 O ATOM 717 CB GLU A 41 -9.842 9.851 -4.296 1.00 1.36 C ATOM 718 CG GLU A 41 -11.128 9.819 -3.461 1.00 1.82 C ATOM 719 CD GLU A 41 -12.324 9.499 -4.363 1.00 2.65 C ATOM 720 OE1 GLU A 41 -12.397 8.381 -4.847 1.00 3.29 O ATOM 721 OE2 GLU A 41 -13.150 10.377 -4.553 1.00 3.20 O ATOM 0 H GLU A 41 -7.614 10.570 -5.456 1.00 0.85 H new ATOM 0 HA GLU A 41 -10.133 12.000 -4.545 1.00 1.07 H new ATOM 0 HB2 GLU A 41 -10.035 9.457 -5.294 1.00 1.36 H new ATOM 0 HB3 GLU A 41 -9.086 9.211 -3.841 1.00 1.36 H new ATOM 0 HG2 GLU A 41 -11.043 9.069 -2.674 1.00 1.82 H new ATOM 0 HG3 GLU A 41 -11.278 10.781 -2.970 1.00 1.82 H new ATOM 728 N LYS A 42 -8.636 12.977 -2.785 1.00 1.31 N ATOM 729 CA LYS A 42 -7.961 13.465 -1.542 1.00 1.37 C ATOM 730 C LYS A 42 -9.003 13.746 -0.450 1.00 1.50 C ATOM 731 O LYS A 42 -9.169 14.867 -0.004 1.00 2.15 O ATOM 732 CB LYS A 42 -7.242 14.753 -1.959 1.00 1.49 C ATOM 733 CG LYS A 42 -5.925 14.402 -2.659 1.00 1.73 C ATOM 734 CD LYS A 42 -4.805 15.306 -2.137 1.00 1.91 C ATOM 735 CE LYS A 42 -4.842 16.649 -2.875 1.00 2.10 C ATOM 736 NZ LYS A 42 -3.954 17.552 -2.088 1.00 2.45 N ATOM 0 H LYS A 42 -9.100 13.700 -3.336 1.00 1.31 H new ATOM 0 HA LYS A 42 -7.267 12.732 -1.131 1.00 1.37 H new ATOM 0 HB2 LYS A 42 -7.876 15.336 -2.627 1.00 1.49 H new ATOM 0 HB3 LYS A 42 -7.047 15.372 -1.084 1.00 1.49 H new ATOM 0 HG2 LYS A 42 -5.674 13.356 -2.480 1.00 1.73 H new ATOM 0 HG3 LYS A 42 -6.031 14.524 -3.737 1.00 1.73 H new ATOM 0 HD2 LYS A 42 -4.922 15.465 -1.065 1.00 1.91 H new ATOM 0 HD3 LYS A 42 -3.838 14.825 -2.284 1.00 1.91 H new ATOM 0 HE2 LYS A 42 -4.488 16.545 -3.901 1.00 2.10 H new ATOM 0 HE3 LYS A 42 -5.857 17.042 -2.927 1.00 2.10 H new ATOM 0 HZ1 LYS A 42 -3.930 18.491 -2.534 1.00 2.45 H new ATOM 0 HZ2 LYS A 42 -4.319 17.639 -1.118 1.00 2.45 H new ATOM 0 HZ3 LYS A 42 -2.992 17.157 -2.062 1.00 2.45 H new ATOM 750 N GLN A 43 -9.706 12.727 -0.018 1.00 1.08 N ATOM 751 CA GLN A 43 -10.741 12.908 1.043 1.00 1.26 C ATOM 752 C GLN A 43 -10.186 12.427 2.385 1.00 1.23 C ATOM 753 O GLN A 43 -10.165 13.159 3.357 1.00 1.38 O ATOM 754 CB GLN A 43 -11.922 12.027 0.614 1.00 1.40 C ATOM 755 CG GLN A 43 -12.160 12.151 -0.888 1.00 1.65 C ATOM 756 CD GLN A 43 -13.569 11.663 -1.228 1.00 1.49 C ATOM 757 OE1 GLN A 43 -14.446 12.454 -1.517 1.00 1.64 O ATOM 758 NE2 GLN A 43 -13.824 10.384 -1.210 1.00 2.23 N ATOM 0 H GLN A 43 -9.605 11.771 -0.359 1.00 1.08 H new ATOM 0 HA GLN A 43 -11.037 13.951 1.160 1.00 1.26 H new ATOM 0 HB2 GLN A 43 -11.721 10.987 0.872 1.00 1.40 H new ATOM 0 HB3 GLN A 43 -12.820 12.322 1.157 1.00 1.40 H new ATOM 0 HG2 GLN A 43 -12.038 13.188 -1.201 1.00 1.65 H new ATOM 0 HG3 GLN A 43 -11.420 11.565 -1.433 1.00 1.65 H new ATOM 0 HE21 GLN A 43 -13.088 9.721 -0.968 1.00 2.23 H new ATOM 0 HE22 GLN A 43 -14.759 10.047 -1.438 1.00 2.23 H new ATOM 767 N LEU A 44 -9.731 11.198 2.435 1.00 1.14 N ATOM 768 CA LEU A 44 -9.164 10.651 3.707 1.00 1.19 C ATOM 769 C LEU A 44 -7.830 11.343 4.029 1.00 1.07 C ATOM 770 O LEU A 44 -7.024 11.565 3.145 1.00 1.01 O ATOM 771 CB LEU A 44 -8.940 9.157 3.446 1.00 1.23 C ATOM 772 CG LEU A 44 -10.270 8.406 3.570 1.00 1.73 C ATOM 773 CD1 LEU A 44 -10.189 7.090 2.792 1.00 2.11 C ATOM 774 CD2 LEU A 44 -10.554 8.108 5.046 1.00 2.20 C ATOM 0 H LEU A 44 -9.728 10.549 1.648 1.00 1.14 H new ATOM 0 HA LEU A 44 -9.828 10.817 4.555 1.00 1.19 H new ATOM 0 HB2 LEU A 44 -8.520 9.011 2.451 1.00 1.23 H new ATOM 0 HB3 LEU A 44 -8.218 8.758 4.158 1.00 1.23 H new ATOM 0 HG LEU A 44 -11.072 9.021 3.162 1.00 1.73 H new ATOM 0 HD11 LEU A 44 -11.135 6.556 2.881 1.00 2.11 H new ATOM 0 HD12 LEU A 44 -9.988 7.300 1.742 1.00 2.11 H new ATOM 0 HD13 LEU A 44 -9.386 6.475 3.199 1.00 2.11 H new ATOM 0 HD21 LEU A 44 -11.500 7.574 5.134 1.00 2.20 H new ATOM 0 HD22 LEU A 44 -9.751 7.494 5.454 1.00 2.20 H new ATOM 0 HD23 LEU A 44 -10.613 9.044 5.601 1.00 2.20 H new ATOM 786 N PRO A 45 -7.641 11.664 5.291 1.00 1.21 N ATOM 787 CA PRO A 45 -6.388 12.338 5.730 1.00 1.27 C ATOM 788 C PRO A 45 -5.201 11.361 5.694 1.00 1.03 C ATOM 789 O PRO A 45 -5.317 10.246 5.217 1.00 0.82 O ATOM 790 CB PRO A 45 -6.699 12.773 7.162 1.00 1.58 C ATOM 791 CG PRO A 45 -7.768 11.838 7.629 1.00 1.62 C ATOM 792 CD PRO A 45 -8.562 11.433 6.415 1.00 1.46 C ATOM 0 HA PRO A 45 -6.105 13.172 5.088 1.00 1.27 H new ATOM 0 HB2 PRO A 45 -5.814 12.708 7.795 1.00 1.58 H new ATOM 0 HB3 PRO A 45 -7.039 13.808 7.195 1.00 1.58 H new ATOM 0 HG2 PRO A 45 -7.331 10.964 8.113 1.00 1.62 H new ATOM 0 HG3 PRO A 45 -8.409 12.323 8.365 1.00 1.62 H new ATOM 0 HD2 PRO A 45 -8.870 10.389 6.470 1.00 1.46 H new ATOM 0 HD3 PRO A 45 -9.470 12.028 6.315 1.00 1.46 H new ATOM 800 N VAL A 46 -4.061 11.775 6.198 1.00 1.18 N ATOM 801 CA VAL A 46 -2.861 10.877 6.199 1.00 1.03 C ATOM 802 C VAL A 46 -3.156 9.613 7.019 1.00 0.82 C ATOM 803 O VAL A 46 -3.615 9.687 8.145 1.00 0.90 O ATOM 804 CB VAL A 46 -1.735 11.699 6.845 1.00 1.26 C ATOM 805 CG1 VAL A 46 -0.517 10.805 7.105 1.00 1.26 C ATOM 806 CG2 VAL A 46 -1.328 12.840 5.905 1.00 1.55 C ATOM 0 H VAL A 46 -3.910 12.696 6.609 1.00 1.18 H new ATOM 0 HA VAL A 46 -2.588 10.550 5.196 1.00 1.03 H new ATOM 0 HB VAL A 46 -2.093 12.108 7.790 1.00 1.26 H new ATOM 0 HG11 VAL A 46 0.277 11.395 7.563 1.00 1.26 H new ATOM 0 HG12 VAL A 46 -0.798 9.993 7.776 1.00 1.26 H new ATOM 0 HG13 VAL A 46 -0.162 10.390 6.162 1.00 1.26 H new ATOM 0 HG21 VAL A 46 -0.529 13.422 6.364 1.00 1.55 H new ATOM 0 HG22 VAL A 46 -0.977 12.425 4.960 1.00 1.55 H new ATOM 0 HG23 VAL A 46 -2.188 13.485 5.722 1.00 1.55 H new ATOM 816 N LEU A 47 -2.895 8.456 6.458 1.00 0.66 N ATOM 817 CA LEU A 47 -3.158 7.178 7.196 1.00 0.58 C ATOM 818 C LEU A 47 -2.212 7.049 8.399 1.00 0.57 C ATOM 819 O LEU A 47 -1.254 7.790 8.529 1.00 0.63 O ATOM 820 CB LEU A 47 -2.886 6.062 6.178 1.00 0.61 C ATOM 821 CG LEU A 47 -3.824 4.879 6.442 1.00 0.89 C ATOM 822 CD1 LEU A 47 -4.554 4.505 5.150 1.00 0.97 C ATOM 823 CD2 LEU A 47 -3.011 3.675 6.927 1.00 1.87 C ATOM 0 H LEU A 47 -2.511 8.341 5.520 1.00 0.66 H new ATOM 0 HA LEU A 47 -4.175 7.134 7.587 1.00 0.58 H new ATOM 0 HB2 LEU A 47 -3.035 6.437 5.165 1.00 0.61 H new ATOM 0 HB3 LEU A 47 -1.848 5.738 6.249 1.00 0.61 H new ATOM 0 HG LEU A 47 -4.550 5.161 7.205 1.00 0.89 H new ATOM 0 HD11 LEU A 47 -5.221 3.664 5.339 1.00 0.97 H new ATOM 0 HD12 LEU A 47 -5.136 5.358 4.801 1.00 0.97 H new ATOM 0 HD13 LEU A 47 -3.826 4.227 4.388 1.00 0.97 H new ATOM 0 HD21 LEU A 47 -3.680 2.835 7.114 1.00 1.87 H new ATOM 0 HD22 LEU A 47 -2.284 3.396 6.165 1.00 1.87 H new ATOM 0 HD23 LEU A 47 -2.490 3.935 7.848 1.00 1.87 H new ATOM 835 N ASP A 48 -2.472 6.106 9.274 1.00 0.59 N ATOM 836 CA ASP A 48 -1.586 5.918 10.469 1.00 0.64 C ATOM 837 C ASP A 48 -0.178 5.490 10.030 1.00 0.55 C ATOM 838 O ASP A 48 0.801 5.789 10.688 1.00 0.62 O ATOM 839 CB ASP A 48 -2.248 4.815 11.296 1.00 0.76 C ATOM 840 CG ASP A 48 -2.690 5.382 12.648 1.00 1.35 C ATOM 841 OD1 ASP A 48 -1.889 5.360 13.569 1.00 2.09 O ATOM 842 OD2 ASP A 48 -3.823 5.826 12.741 1.00 2.11 O ATOM 0 H ASP A 48 -3.258 5.459 9.213 1.00 0.59 H new ATOM 0 HA ASP A 48 -1.473 6.840 11.040 1.00 0.64 H new ATOM 0 HB2 ASP A 48 -3.108 4.412 10.761 1.00 0.76 H new ATOM 0 HB3 ASP A 48 -1.551 3.991 11.446 1.00 0.76 H new ATOM 847 N LYS A 49 -0.075 4.796 8.920 1.00 0.49 N ATOM 848 CA LYS A 49 1.260 4.347 8.423 1.00 0.49 C ATOM 849 C LYS A 49 1.311 4.426 6.891 1.00 0.46 C ATOM 850 O LYS A 49 0.293 4.534 6.230 1.00 0.53 O ATOM 851 CB LYS A 49 1.385 2.890 8.884 1.00 0.56 C ATOM 852 CG LYS A 49 2.506 2.770 9.921 1.00 0.66 C ATOM 853 CD LYS A 49 1.907 2.797 11.331 1.00 0.83 C ATOM 854 CE LYS A 49 2.920 3.405 12.306 1.00 1.13 C ATOM 855 NZ LYS A 49 2.100 3.998 13.402 1.00 1.47 N ATOM 0 H LYS A 49 -0.865 4.521 8.336 1.00 0.49 H new ATOM 0 HA LYS A 49 2.070 4.969 8.802 1.00 0.49 H new ATOM 0 HB2 LYS A 49 0.442 2.552 9.313 1.00 0.56 H new ATOM 0 HB3 LYS A 49 1.596 2.245 8.031 1.00 0.56 H new ATOM 0 HG2 LYS A 49 3.059 1.843 9.768 1.00 0.66 H new ATOM 0 HG3 LYS A 49 3.216 3.589 9.801 1.00 0.66 H new ATOM 0 HD2 LYS A 49 0.987 3.381 11.335 1.00 0.83 H new ATOM 0 HD3 LYS A 49 1.645 1.787 11.646 1.00 0.83 H new ATOM 0 HE2 LYS A 49 3.601 2.646 12.690 1.00 1.13 H new ATOM 0 HE3 LYS A 49 3.531 4.163 11.817 1.00 1.13 H new ATOM 0 HZ1 LYS A 49 2.727 4.433 14.108 1.00 1.47 H new ATOM 0 HZ2 LYS A 49 1.466 4.722 13.008 1.00 1.47 H new ATOM 0 HZ3 LYS A 49 1.534 3.252 13.855 1.00 1.47 H new ATOM 869 N THR A 50 2.491 4.363 6.329 1.00 0.41 N ATOM 870 CA THR A 50 2.631 4.421 4.837 1.00 0.40 C ATOM 871 C THR A 50 3.280 3.129 4.317 1.00 0.37 C ATOM 872 O THR A 50 3.000 2.689 3.218 1.00 0.37 O ATOM 873 CB THR A 50 3.535 5.627 4.556 1.00 0.44 C ATOM 874 OG1 THR A 50 2.942 6.801 5.097 1.00 0.56 O ATOM 875 CG2 THR A 50 3.709 5.796 3.045 1.00 0.57 C ATOM 0 H THR A 50 3.370 4.273 6.839 1.00 0.41 H new ATOM 0 HA THR A 50 1.666 4.519 4.340 1.00 0.40 H new ATOM 0 HB THR A 50 4.509 5.464 5.018 1.00 0.44 H new ATOM 0 HG1 THR A 50 2.442 7.268 4.395 1.00 0.56 H new ATOM 0 HG21 THR A 50 4.352 6.654 2.846 1.00 0.57 H new ATOM 0 HG22 THR A 50 4.164 4.897 2.628 1.00 0.57 H new ATOM 0 HG23 THR A 50 2.735 5.958 2.582 1.00 0.57 H new ATOM 883 N LYS A 51 4.136 2.519 5.103 1.00 0.38 N ATOM 884 CA LYS A 51 4.799 1.253 4.671 1.00 0.36 C ATOM 885 C LYS A 51 4.438 0.125 5.643 1.00 0.35 C ATOM 886 O LYS A 51 4.566 0.263 6.846 1.00 0.42 O ATOM 887 CB LYS A 51 6.302 1.555 4.711 1.00 0.38 C ATOM 888 CG LYS A 51 7.103 0.248 4.651 1.00 0.38 C ATOM 889 CD LYS A 51 8.552 0.549 4.259 1.00 0.71 C ATOM 890 CE LYS A 51 9.308 1.119 5.464 1.00 0.64 C ATOM 891 NZ LYS A 51 10.284 0.059 5.855 1.00 0.95 N ATOM 0 H LYS A 51 4.403 2.848 6.031 1.00 0.38 H new ATOM 0 HA LYS A 51 4.485 0.930 3.678 1.00 0.36 H new ATOM 0 HB2 LYS A 51 6.575 2.197 3.873 1.00 0.38 H new ATOM 0 HB3 LYS A 51 6.547 2.100 5.623 1.00 0.38 H new ATOM 0 HG2 LYS A 51 7.074 -0.252 5.619 1.00 0.38 H new ATOM 0 HG3 LYS A 51 6.654 -0.432 3.927 1.00 0.38 H new ATOM 0 HD2 LYS A 51 9.040 -0.361 3.909 1.00 0.71 H new ATOM 0 HD3 LYS A 51 8.575 1.261 3.434 1.00 0.71 H new ATOM 0 HE2 LYS A 51 9.818 2.047 5.205 1.00 0.64 H new ATOM 0 HE3 LYS A 51 8.627 1.348 6.283 1.00 0.64 H new ATOM 0 HZ1 LYS A 51 10.958 0.446 6.546 1.00 0.95 H new ATOM 0 HZ2 LYS A 51 9.775 -0.743 6.279 1.00 0.95 H new ATOM 0 HZ3 LYS A 51 10.800 -0.265 5.012 1.00 0.95 H new ATOM 905 N PHE A 52 3.981 -0.986 5.125 1.00 0.32 N ATOM 906 CA PHE A 52 3.598 -2.137 6.004 1.00 0.32 C ATOM 907 C PHE A 52 4.013 -3.451 5.343 1.00 0.28 C ATOM 908 O PHE A 52 3.936 -3.596 4.137 1.00 0.27 O ATOM 909 CB PHE A 52 2.060 -2.098 6.173 1.00 0.34 C ATOM 910 CG PHE A 52 1.435 -0.941 5.416 1.00 0.33 C ATOM 911 CD1 PHE A 52 1.157 -1.065 4.049 1.00 1.22 C ATOM 912 CD2 PHE A 52 1.138 0.252 6.085 1.00 1.16 C ATOM 913 CE1 PHE A 52 0.582 0.004 3.355 1.00 1.22 C ATOM 914 CE2 PHE A 52 0.563 1.320 5.390 1.00 1.19 C ATOM 915 CZ PHE A 52 0.285 1.196 4.025 1.00 0.41 C ATOM 0 H PHE A 52 3.855 -1.148 4.126 1.00 0.32 H new ATOM 0 HA PHE A 52 4.094 -2.067 6.972 1.00 0.32 H new ATOM 0 HB2 PHE A 52 1.632 -3.036 5.819 1.00 0.34 H new ATOM 0 HB3 PHE A 52 1.813 -2.014 7.231 1.00 0.34 H new ATOM 0 HD1 PHE A 52 1.386 -1.985 3.532 1.00 1.22 H new ATOM 0 HD2 PHE A 52 1.353 0.348 7.139 1.00 1.16 H new ATOM 0 HE1 PHE A 52 0.367 -0.090 2.301 1.00 1.22 H new ATOM 0 HE2 PHE A 52 0.334 2.240 5.907 1.00 1.19 H new ATOM 0 HZ PHE A 52 -0.159 2.021 3.488 1.00 0.41 H new ATOM 925 N LEU A 53 4.442 -4.414 6.119 1.00 0.30 N ATOM 926 CA LEU A 53 4.850 -5.722 5.523 1.00 0.27 C ATOM 927 C LEU A 53 3.632 -6.637 5.392 1.00 0.26 C ATOM 928 O LEU A 53 2.616 -6.439 6.035 1.00 0.30 O ATOM 929 CB LEU A 53 5.875 -6.338 6.482 1.00 0.28 C ATOM 930 CG LEU A 53 7.026 -5.355 6.736 1.00 0.35 C ATOM 931 CD1 LEU A 53 7.890 -5.868 7.891 1.00 0.38 C ATOM 932 CD2 LEU A 53 7.884 -5.236 5.473 1.00 0.41 C ATOM 0 H LEU A 53 4.527 -4.352 7.134 1.00 0.30 H new ATOM 0 HA LEU A 53 5.275 -5.590 4.528 1.00 0.27 H new ATOM 0 HB2 LEU A 53 5.392 -6.595 7.425 1.00 0.28 H new ATOM 0 HB3 LEU A 53 6.265 -7.265 6.061 1.00 0.28 H new ATOM 0 HG LEU A 53 6.618 -4.377 6.993 1.00 0.35 H new ATOM 0 HD11 LEU A 53 8.708 -5.170 8.072 1.00 0.38 H new ATOM 0 HD12 LEU A 53 7.281 -5.954 8.791 1.00 0.38 H new ATOM 0 HD13 LEU A 53 8.298 -6.846 7.634 1.00 0.38 H new ATOM 0 HD21 LEU A 53 8.702 -4.538 5.653 1.00 0.41 H new ATOM 0 HD22 LEU A 53 8.292 -6.214 5.217 1.00 0.41 H new ATOM 0 HD23 LEU A 53 7.270 -4.871 4.649 1.00 0.41 H new ATOM 944 N VAL A 54 3.737 -7.634 4.561 1.00 0.25 N ATOM 945 CA VAL A 54 2.603 -8.587 4.353 1.00 0.25 C ATOM 946 C VAL A 54 3.167 -9.983 4.060 1.00 0.24 C ATOM 947 O VAL A 54 4.167 -10.104 3.388 1.00 0.23 O ATOM 948 CB VAL A 54 1.842 -8.043 3.130 1.00 0.28 C ATOM 949 CG1 VAL A 54 0.795 -9.062 2.665 1.00 0.28 C ATOM 950 CG2 VAL A 54 1.137 -6.732 3.495 1.00 0.34 C ATOM 0 H VAL A 54 4.570 -7.835 4.008 1.00 0.25 H new ATOM 0 HA VAL A 54 1.953 -8.670 5.224 1.00 0.25 H new ATOM 0 HB VAL A 54 2.557 -7.864 2.327 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.262 -8.667 1.800 1.00 0.28 H new ATOM 0 HG12 VAL A 54 1.290 -9.994 2.392 1.00 0.28 H new ATOM 0 HG13 VAL A 54 0.087 -9.250 3.472 1.00 0.28 H new ATOM 0 HG21 VAL A 54 0.601 -6.353 2.625 1.00 0.34 H new ATOM 0 HG22 VAL A 54 0.432 -6.912 4.306 1.00 0.34 H new ATOM 0 HG23 VAL A 54 1.877 -5.998 3.814 1.00 0.34 H new ATOM 960 N PRO A 55 2.509 -10.999 4.563 1.00 0.28 N ATOM 961 CA PRO A 55 2.980 -12.388 4.326 1.00 0.30 C ATOM 962 C PRO A 55 2.806 -12.775 2.850 1.00 0.31 C ATOM 963 O PRO A 55 1.801 -12.476 2.233 1.00 0.31 O ATOM 964 CB PRO A 55 2.089 -13.231 5.236 1.00 0.35 C ATOM 965 CG PRO A 55 0.862 -12.405 5.445 1.00 0.36 C ATOM 966 CD PRO A 55 1.290 -10.963 5.382 1.00 0.32 C ATOM 0 HA PRO A 55 4.040 -12.525 4.541 1.00 0.30 H new ATOM 0 HB2 PRO A 55 1.847 -14.189 4.775 1.00 0.35 H new ATOM 0 HB3 PRO A 55 2.584 -13.449 6.182 1.00 0.35 H new ATOM 0 HG2 PRO A 55 0.116 -12.620 4.680 1.00 0.36 H new ATOM 0 HG3 PRO A 55 0.404 -12.630 6.408 1.00 0.36 H new ATOM 0 HD2 PRO A 55 0.522 -10.336 4.929 1.00 0.32 H new ATOM 0 HD3 PRO A 55 1.486 -10.559 6.375 1.00 0.32 H new ATOM 974 N ASP A 56 3.790 -13.435 2.286 1.00 0.33 N ATOM 975 CA ASP A 56 3.712 -13.849 0.847 1.00 0.37 C ATOM 976 C ASP A 56 2.598 -14.892 0.621 1.00 0.39 C ATOM 977 O ASP A 56 2.122 -15.060 -0.485 1.00 0.41 O ATOM 978 CB ASP A 56 5.086 -14.454 0.540 1.00 0.41 C ATOM 979 CG ASP A 56 5.219 -14.711 -0.963 1.00 1.36 C ATOM 980 OD1 ASP A 56 5.588 -13.789 -1.671 1.00 2.06 O ATOM 981 OD2 ASP A 56 4.953 -15.826 -1.378 1.00 2.19 O ATOM 0 H ASP A 56 4.649 -13.707 2.763 1.00 0.33 H new ATOM 0 HA ASP A 56 3.472 -13.007 0.198 1.00 0.37 H new ATOM 0 HB2 ASP A 56 5.873 -13.778 0.873 1.00 0.41 H new ATOM 0 HB3 ASP A 56 5.213 -15.387 1.090 1.00 0.41 H new ATOM 986 N HIS A 57 2.177 -15.587 1.654 1.00 0.41 N ATOM 987 CA HIS A 57 1.094 -16.614 1.488 1.00 0.44 C ATOM 988 C HIS A 57 -0.302 -15.981 1.659 1.00 0.43 C ATOM 989 O HIS A 57 -1.282 -16.673 1.857 1.00 0.47 O ATOM 990 CB HIS A 57 1.364 -17.639 2.597 1.00 0.48 C ATOM 991 CG HIS A 57 0.542 -18.879 2.362 1.00 1.19 C ATOM 992 ND1 HIS A 57 0.936 -19.872 1.478 1.00 2.15 N ATOM 993 CD2 HIS A 57 -0.651 -19.302 2.893 1.00 1.34 C ATOM 994 CE1 HIS A 57 -0.006 -20.833 1.503 1.00 2.76 C ATOM 995 NE2 HIS A 57 -0.996 -20.536 2.349 1.00 2.29 N ATOM 0 H HIS A 57 2.536 -15.488 2.604 1.00 0.41 H new ATOM 0 HA HIS A 57 1.102 -17.062 0.495 1.00 0.44 H new ATOM 0 HB2 HIS A 57 2.424 -17.894 2.618 1.00 0.48 H new ATOM 0 HB3 HIS A 57 1.120 -17.209 3.568 1.00 0.48 H new ATOM 0 HD2 HIS A 57 -1.234 -18.759 3.623 1.00 1.34 H new ATOM 0 HE1 HIS A 57 0.034 -21.735 0.911 1.00 2.76 H new ATOM 0 HE2 HIS A 57 -1.826 -21.093 2.553 1.00 2.29 H new ATOM 1003 N VAL A 58 -0.402 -14.675 1.590 1.00 0.39 N ATOM 1004 CA VAL A 58 -1.727 -14.009 1.760 1.00 0.39 C ATOM 1005 C VAL A 58 -2.244 -13.472 0.409 1.00 0.39 C ATOM 1006 O VAL A 58 -1.534 -13.471 -0.579 1.00 0.40 O ATOM 1007 CB VAL A 58 -1.434 -12.893 2.780 1.00 0.38 C ATOM 1008 CG1 VAL A 58 -1.994 -11.542 2.324 1.00 0.40 C ATOM 1009 CG2 VAL A 58 -2.056 -13.280 4.121 1.00 0.43 C ATOM 0 H VAL A 58 0.380 -14.042 1.423 1.00 0.39 H new ATOM 0 HA VAL A 58 -2.517 -14.675 2.108 1.00 0.39 H new ATOM 0 HB VAL A 58 -0.353 -12.785 2.872 1.00 0.38 H new ATOM 0 HG11 VAL A 58 -1.766 -10.782 3.072 1.00 0.40 H new ATOM 0 HG12 VAL A 58 -1.541 -11.263 1.373 1.00 0.40 H new ATOM 0 HG13 VAL A 58 -3.075 -11.618 2.203 1.00 0.40 H new ATOM 0 HG21 VAL A 58 -1.856 -12.498 4.854 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -3.133 -13.399 4.002 1.00 0.43 H new ATOM 0 HG23 VAL A 58 -1.623 -14.219 4.465 1.00 0.43 H new ATOM 1019 N ASN A 59 -3.481 -13.024 0.366 1.00 0.39 N ATOM 1020 CA ASN A 59 -4.056 -12.492 -0.913 1.00 0.40 C ATOM 1021 C ASN A 59 -4.447 -11.019 -0.748 1.00 0.41 C ATOM 1022 O ASN A 59 -4.356 -10.458 0.332 1.00 0.43 O ATOM 1023 CB ASN A 59 -5.307 -13.344 -1.183 1.00 0.43 C ATOM 1024 CG ASN A 59 -4.926 -14.821 -1.348 1.00 0.47 C ATOM 1025 OD1 ASN A 59 -3.866 -15.142 -1.849 1.00 0.82 O ATOM 1026 ND2 ASN A 59 -5.757 -15.742 -0.941 1.00 1.09 N ATOM 0 H ASN A 59 -4.116 -13.005 1.164 1.00 0.39 H new ATOM 0 HA ASN A 59 -3.340 -12.546 -1.733 1.00 0.40 H new ATOM 0 HB2 ASN A 59 -6.013 -13.234 -0.360 1.00 0.43 H new ATOM 0 HB3 ASN A 59 -5.809 -12.989 -2.083 1.00 0.43 H new ATOM 0 HD21 ASN A 59 -5.516 -16.728 -1.044 1.00 1.09 H new ATOM 0 HD22 ASN A 59 -6.647 -15.476 -0.520 1.00 1.09 H new ATOM 1033 N MET A 60 -4.889 -10.392 -1.815 1.00 0.43 N ATOM 1034 CA MET A 60 -5.303 -8.951 -1.738 1.00 0.46 C ATOM 1035 C MET A 60 -6.358 -8.758 -0.644 1.00 0.46 C ATOM 1036 O MET A 60 -6.390 -7.742 0.025 1.00 0.46 O ATOM 1037 CB MET A 60 -5.906 -8.625 -3.107 1.00 0.53 C ATOM 1038 CG MET A 60 -4.789 -8.474 -4.144 1.00 0.67 C ATOM 1039 SD MET A 60 -4.972 -6.893 -5.006 1.00 1.02 S ATOM 1040 CE MET A 60 -3.577 -6.043 -4.227 1.00 1.54 C ATOM 0 H MET A 60 -4.981 -10.817 -2.738 1.00 0.43 H new ATOM 0 HA MET A 60 -4.461 -8.303 -1.496 1.00 0.46 H new ATOM 0 HB2 MET A 60 -6.592 -9.416 -3.410 1.00 0.53 H new ATOM 0 HB3 MET A 60 -6.487 -7.705 -3.049 1.00 0.53 H new ATOM 0 HG2 MET A 60 -3.816 -8.523 -3.655 1.00 0.67 H new ATOM 0 HG3 MET A 60 -4.828 -9.296 -4.859 1.00 0.67 H new ATOM 0 HE1 MET A 60 -3.944 -5.396 -3.431 1.00 1.54 H new ATOM 0 HE2 MET A 60 -2.890 -6.779 -3.809 1.00 1.54 H new ATOM 0 HE3 MET A 60 -3.055 -5.442 -4.972 1.00 1.54 H new ATOM 1050 N SER A 61 -7.220 -9.729 -0.468 1.00 0.47 N ATOM 1051 CA SER A 61 -8.287 -9.623 0.580 1.00 0.50 C ATOM 1052 C SER A 61 -7.666 -9.392 1.965 1.00 0.48 C ATOM 1053 O SER A 61 -8.078 -8.506 2.688 1.00 0.48 O ATOM 1054 CB SER A 61 -9.039 -10.960 0.541 1.00 0.56 C ATOM 1055 OG SER A 61 -8.119 -12.034 0.710 1.00 1.03 O ATOM 0 H SER A 61 -7.232 -10.595 -1.007 1.00 0.47 H new ATOM 0 HA SER A 61 -8.953 -8.781 0.391 1.00 0.50 H new ATOM 0 HB2 SER A 61 -9.793 -10.987 1.328 1.00 0.56 H new ATOM 0 HB3 SER A 61 -9.565 -11.065 -0.408 1.00 0.56 H new ATOM 0 HG SER A 61 -8.603 -12.886 0.686 1.00 1.03 H new ATOM 1061 N GLU A 62 -6.671 -10.170 2.331 1.00 0.48 N ATOM 1062 CA GLU A 62 -6.015 -9.980 3.663 1.00 0.48 C ATOM 1063 C GLU A 62 -5.360 -8.596 3.725 1.00 0.44 C ATOM 1064 O GLU A 62 -5.418 -7.924 4.736 1.00 0.44 O ATOM 1065 CB GLU A 62 -4.959 -11.078 3.757 1.00 0.51 C ATOM 1066 CG GLU A 62 -4.736 -11.439 5.227 1.00 0.61 C ATOM 1067 CD GLU A 62 -5.864 -12.355 5.715 1.00 1.62 C ATOM 1068 OE1 GLU A 62 -5.925 -13.485 5.255 1.00 2.35 O ATOM 1069 OE2 GLU A 62 -6.646 -11.912 6.541 1.00 2.28 O ATOM 0 H GLU A 62 -6.287 -10.926 1.764 1.00 0.48 H new ATOM 0 HA GLU A 62 -6.727 -10.039 4.486 1.00 0.48 H new ATOM 0 HB2 GLU A 62 -5.281 -11.957 3.199 1.00 0.51 H new ATOM 0 HB3 GLU A 62 -4.025 -10.740 3.308 1.00 0.51 H new ATOM 0 HG2 GLU A 62 -3.774 -11.937 5.346 1.00 0.61 H new ATOM 0 HG3 GLU A 62 -4.704 -10.533 5.832 1.00 0.61 H new ATOM 1076 N LEU A 63 -4.757 -8.161 2.640 1.00 0.43 N ATOM 1077 CA LEU A 63 -4.121 -6.808 2.624 1.00 0.41 C ATOM 1078 C LEU A 63 -5.197 -5.737 2.844 1.00 0.41 C ATOM 1079 O LEU A 63 -5.019 -4.829 3.632 1.00 0.41 O ATOM 1080 CB LEU A 63 -3.484 -6.673 1.234 1.00 0.41 C ATOM 1081 CG LEU A 63 -2.898 -5.267 1.056 1.00 0.67 C ATOM 1082 CD1 LEU A 63 -1.739 -5.061 2.035 1.00 0.99 C ATOM 1083 CD2 LEU A 63 -2.387 -5.109 -0.379 1.00 1.66 C ATOM 0 H LEU A 63 -4.680 -8.686 1.769 1.00 0.43 H new ATOM 0 HA LEU A 63 -3.376 -6.684 3.410 1.00 0.41 H new ATOM 0 HB2 LEU A 63 -2.700 -7.420 1.111 1.00 0.41 H new ATOM 0 HB3 LEU A 63 -4.231 -6.864 0.463 1.00 0.41 H new ATOM 0 HG LEU A 63 -3.672 -4.525 1.254 1.00 0.67 H new ATOM 0 HD11 LEU A 63 -1.326 -4.061 1.905 1.00 0.99 H new ATOM 0 HD12 LEU A 63 -2.101 -5.174 3.057 1.00 0.99 H new ATOM 0 HD13 LEU A 63 -0.963 -5.802 1.841 1.00 0.99 H new ATOM 0 HD21 LEU A 63 -1.970 -4.110 -0.509 1.00 1.66 H new ATOM 0 HD22 LEU A 63 -1.615 -5.853 -0.574 1.00 1.66 H new ATOM 0 HD23 LEU A 63 -3.212 -5.251 -1.077 1.00 1.66 H new ATOM 1095 N ILE A 64 -6.323 -5.857 2.173 1.00 0.44 N ATOM 1096 CA ILE A 64 -7.422 -4.861 2.366 1.00 0.46 C ATOM 1097 C ILE A 64 -7.964 -4.983 3.796 1.00 0.46 C ATOM 1098 O ILE A 64 -8.250 -3.996 4.444 1.00 0.47 O ATOM 1099 CB ILE A 64 -8.494 -5.229 1.328 1.00 0.51 C ATOM 1100 CG1 ILE A 64 -8.027 -4.774 -0.060 1.00 0.58 C ATOM 1101 CG2 ILE A 64 -9.823 -4.541 1.670 1.00 0.56 C ATOM 1102 CD1 ILE A 64 -9.036 -5.226 -1.117 1.00 1.00 C ATOM 0 H ILE A 64 -6.524 -6.600 1.504 1.00 0.44 H new ATOM 0 HA ILE A 64 -7.091 -3.831 2.232 1.00 0.46 H new ATOM 0 HB ILE A 64 -8.644 -6.309 1.336 1.00 0.51 H new ATOM 0 HG12 ILE A 64 -7.924 -3.689 -0.082 1.00 0.58 H new ATOM 0 HG13 ILE A 64 -7.044 -5.192 -0.279 1.00 0.58 H new ATOM 0 HG21 ILE A 64 -10.574 -4.810 0.927 1.00 0.56 H new ATOM 0 HG22 ILE A 64 -10.157 -4.864 2.656 1.00 0.56 H new ATOM 0 HG23 ILE A 64 -9.684 -3.460 1.670 1.00 0.56 H new ATOM 0 HD11 ILE A 64 -8.701 -4.901 -2.102 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -9.117 -6.313 -1.101 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -10.010 -4.787 -0.902 1.00 1.00 H new ATOM 1114 N LYS A 65 -8.079 -6.197 4.288 1.00 0.47 N ATOM 1115 CA LYS A 65 -8.577 -6.421 5.682 1.00 0.49 C ATOM 1116 C LYS A 65 -7.666 -5.704 6.689 1.00 0.48 C ATOM 1117 O LYS A 65 -8.130 -5.146 7.666 1.00 0.49 O ATOM 1118 CB LYS A 65 -8.519 -7.939 5.890 1.00 0.52 C ATOM 1119 CG LYS A 65 -9.844 -8.571 5.455 1.00 0.57 C ATOM 1120 CD LYS A 65 -10.115 -9.823 6.294 1.00 0.69 C ATOM 1121 CE LYS A 65 -11.248 -10.633 5.655 1.00 1.21 C ATOM 1122 NZ LYS A 65 -11.590 -11.686 6.656 1.00 1.57 N ATOM 0 H LYS A 65 -7.846 -7.048 3.777 1.00 0.47 H new ATOM 0 HA LYS A 65 -9.584 -6.031 5.828 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -7.696 -8.363 5.314 1.00 0.52 H new ATOM 0 HB3 LYS A 65 -8.324 -8.165 6.938 1.00 0.52 H new ATOM 0 HG2 LYS A 65 -10.657 -7.856 5.577 1.00 0.57 H new ATOM 0 HG3 LYS A 65 -9.805 -8.831 4.397 1.00 0.57 H new ATOM 0 HD2 LYS A 65 -9.213 -10.431 6.361 1.00 0.69 H new ATOM 0 HD3 LYS A 65 -10.385 -9.540 7.311 1.00 0.69 H new ATOM 0 HE2 LYS A 65 -12.110 -10.001 5.438 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -10.931 -11.076 4.711 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -12.360 -12.280 6.286 1.00 1.57 H new ATOM 0 HZ2 LYS A 65 -10.754 -12.277 6.838 1.00 1.57 H new ATOM 0 HZ3 LYS A 65 -11.895 -11.236 7.543 1.00 1.57 H new ATOM 1136 N ILE A 66 -6.372 -5.704 6.445 1.00 0.47 N ATOM 1137 CA ILE A 66 -5.428 -5.009 7.375 1.00 0.49 C ATOM 1138 C ILE A 66 -5.613 -3.492 7.259 1.00 0.48 C ATOM 1139 O ILE A 66 -5.580 -2.782 8.246 1.00 0.51 O ATOM 1140 CB ILE A 66 -4.022 -5.430 6.919 1.00 0.53 C ATOM 1141 CG1 ILE A 66 -3.765 -6.884 7.334 1.00 0.56 C ATOM 1142 CG2 ILE A 66 -2.970 -4.522 7.567 1.00 0.55 C ATOM 1143 CD1 ILE A 66 -2.716 -7.507 6.410 1.00 0.69 C ATOM 0 H ILE A 66 -5.933 -6.156 5.642 1.00 0.47 H new ATOM 0 HA ILE A 66 -5.599 -5.273 8.419 1.00 0.49 H new ATOM 0 HB ILE A 66 -3.955 -5.340 5.835 1.00 0.53 H new ATOM 0 HG12 ILE A 66 -3.421 -6.922 8.368 1.00 0.56 H new ATOM 0 HG13 ILE A 66 -4.692 -7.455 7.285 1.00 0.56 H new ATOM 0 HG21 ILE A 66 -1.976 -4.826 7.240 1.00 0.55 H new ATOM 0 HG22 ILE A 66 -3.149 -3.488 7.271 1.00 0.55 H new ATOM 0 HG23 ILE A 66 -3.036 -4.605 8.652 1.00 0.55 H new ATOM 0 HD11 ILE A 66 -2.536 -8.540 6.708 1.00 0.69 H new ATOM 0 HD12 ILE A 66 -3.077 -7.484 5.382 1.00 0.69 H new ATOM 0 HD13 ILE A 66 -1.787 -6.942 6.481 1.00 0.69 H new ATOM 1155 N ILE A 67 -5.820 -2.998 6.060 1.00 0.45 N ATOM 1156 CA ILE A 67 -6.025 -1.525 5.869 1.00 0.47 C ATOM 1157 C ILE A 67 -7.291 -1.064 6.615 1.00 0.46 C ATOM 1158 O ILE A 67 -7.381 0.073 7.039 1.00 0.51 O ATOM 1159 CB ILE A 67 -6.169 -1.316 4.352 1.00 0.47 C ATOM 1160 CG1 ILE A 67 -4.866 -1.718 3.651 1.00 0.50 C ATOM 1161 CG2 ILE A 67 -6.456 0.161 4.055 1.00 0.52 C ATOM 1162 CD1 ILE A 67 -5.127 -1.917 2.156 1.00 1.09 C ATOM 0 H ILE A 67 -5.856 -3.552 5.204 1.00 0.45 H new ATOM 0 HA ILE A 67 -5.195 -0.942 6.268 1.00 0.47 H new ATOM 0 HB ILE A 67 -6.992 -1.931 3.987 1.00 0.47 H new ATOM 0 HG12 ILE A 67 -4.109 -0.948 3.799 1.00 0.50 H new ATOM 0 HG13 ILE A 67 -4.475 -2.637 4.088 1.00 0.50 H new ATOM 0 HG21 ILE A 67 -6.557 0.303 2.979 1.00 0.52 H new ATOM 0 HG22 ILE A 67 -7.381 0.458 4.549 1.00 0.52 H new ATOM 0 HG23 ILE A 67 -5.634 0.773 4.426 1.00 0.52 H new ATOM 0 HD11 ILE A 67 -4.200 -2.203 1.660 1.00 1.09 H new ATOM 0 HD12 ILE A 67 -5.870 -2.703 2.018 1.00 1.09 H new ATOM 0 HD13 ILE A 67 -5.498 -0.987 1.725 1.00 1.09 H new ATOM 1174 N ARG A 68 -8.262 -1.940 6.798 1.00 0.49 N ATOM 1175 CA ARG A 68 -9.505 -1.539 7.545 1.00 0.51 C ATOM 1176 C ARG A 68 -9.126 -1.230 8.987 1.00 0.55 C ATOM 1177 O ARG A 68 -9.472 -0.194 9.520 1.00 0.57 O ATOM 1178 CB ARG A 68 -10.474 -2.735 7.508 1.00 0.62 C ATOM 1179 CG ARG A 68 -10.462 -3.399 6.133 1.00 0.52 C ATOM 1180 CD ARG A 68 -11.816 -4.065 5.865 1.00 0.70 C ATOM 1181 NE ARG A 68 -12.156 -3.707 4.456 1.00 1.48 N ATOM 1182 CZ ARG A 68 -12.986 -4.452 3.773 1.00 1.97 C ATOM 1183 NH1 ARG A 68 -12.632 -5.658 3.405 1.00 2.40 N ATOM 1184 NH2 ARG A 68 -14.168 -3.989 3.455 1.00 2.60 N ATOM 0 H ARG A 68 -8.247 -2.904 6.466 1.00 0.49 H new ATOM 0 HA ARG A 68 -9.971 -0.660 7.099 1.00 0.51 H new ATOM 0 HB2 ARG A 68 -10.192 -3.461 8.270 1.00 0.62 H new ATOM 0 HB3 ARG A 68 -11.483 -2.399 7.746 1.00 0.62 H new ATOM 0 HG2 ARG A 68 -10.253 -2.657 5.363 1.00 0.52 H new ATOM 0 HG3 ARG A 68 -9.665 -4.142 6.085 1.00 0.52 H new ATOM 0 HD2 ARG A 68 -11.755 -5.146 5.993 1.00 0.70 H new ATOM 0 HD3 ARG A 68 -12.576 -3.704 6.558 1.00 0.70 H new ATOM 0 HE ARG A 68 -11.741 -2.881 4.026 1.00 1.48 H new ATOM 0 HH11 ARG A 68 -11.709 -6.016 3.651 1.00 2.40 H new ATOM 0 HH12 ARG A 68 -13.279 -6.239 2.872 1.00 2.40 H new ATOM 0 HH21 ARG A 68 -14.441 -3.048 3.740 1.00 2.60 H new ATOM 0 HH22 ARG A 68 -14.816 -4.569 2.922 1.00 2.60 H new ATOM 1198 N ARG A 69 -8.390 -2.118 9.607 1.00 0.60 N ATOM 1199 CA ARG A 69 -7.945 -1.876 11.015 1.00 0.70 C ATOM 1200 C ARG A 69 -6.954 -0.706 11.029 1.00 0.70 C ATOM 1201 O ARG A 69 -6.976 0.119 11.923 1.00 0.78 O ATOM 1202 CB ARG A 69 -7.262 -3.171 11.464 1.00 0.80 C ATOM 1203 CG ARG A 69 -8.321 -4.196 11.876 1.00 0.86 C ATOM 1204 CD ARG A 69 -7.639 -5.527 12.204 1.00 1.05 C ATOM 1205 NE ARG A 69 -8.749 -6.456 12.564 1.00 1.36 N ATOM 1206 CZ ARG A 69 -8.721 -7.698 12.157 1.00 1.87 C ATOM 1207 NH1 ARG A 69 -9.172 -8.007 10.968 1.00 2.27 N ATOM 1208 NH2 ARG A 69 -8.240 -8.631 12.939 1.00 2.65 N ATOM 0 H ARG A 69 -8.078 -3.000 9.200 1.00 0.60 H new ATOM 0 HA ARG A 69 -8.771 -1.622 11.679 1.00 0.70 H new ATOM 0 HB2 ARG A 69 -6.651 -3.571 10.655 1.00 0.80 H new ATOM 0 HB3 ARG A 69 -6.592 -2.969 12.300 1.00 0.80 H new ATOM 0 HG2 ARG A 69 -8.875 -3.835 12.743 1.00 0.86 H new ATOM 0 HG3 ARG A 69 -9.043 -4.333 11.071 1.00 0.86 H new ATOM 0 HD2 ARG A 69 -7.074 -5.901 11.350 1.00 1.05 H new ATOM 0 HD3 ARG A 69 -6.935 -5.416 13.029 1.00 1.05 H new ATOM 0 HE ARG A 69 -9.530 -6.122 13.128 1.00 1.36 H new ATOM 0 HH11 ARG A 69 -9.545 -7.279 10.359 1.00 2.27 H new ATOM 0 HH12 ARG A 69 -9.150 -8.976 10.650 1.00 2.27 H new ATOM 0 HH21 ARG A 69 -7.888 -8.389 13.865 1.00 2.65 H new ATOM 0 HH22 ARG A 69 -8.218 -9.600 12.622 1.00 2.65 H new ATOM 1222 N ARG A 70 -6.110 -0.615 10.019 1.00 0.64 N ATOM 1223 CA ARG A 70 -5.141 0.525 9.940 1.00 0.71 C ATOM 1224 C ARG A 70 -5.931 1.840 9.942 1.00 0.71 C ATOM 1225 O ARG A 70 -5.549 2.805 10.579 1.00 0.83 O ATOM 1226 CB ARG A 70 -4.397 0.342 8.610 1.00 0.68 C ATOM 1227 CG ARG A 70 -3.249 -0.656 8.791 1.00 0.77 C ATOM 1228 CD ARG A 70 -1.912 0.040 8.514 1.00 1.24 C ATOM 1229 NE ARG A 70 -0.933 -1.066 8.319 1.00 1.63 N ATOM 1230 CZ ARG A 70 -0.260 -1.535 9.338 1.00 2.07 C ATOM 1231 NH1 ARG A 70 -0.747 -2.524 10.042 1.00 2.75 N ATOM 1232 NH2 ARG A 70 0.897 -1.011 9.653 1.00 2.52 N ATOM 0 H ARG A 70 -6.054 -1.282 9.250 1.00 0.64 H new ATOM 0 HA ARG A 70 -4.443 0.549 10.777 1.00 0.71 H new ATOM 0 HB2 ARG A 70 -5.085 -0.016 7.844 1.00 0.68 H new ATOM 0 HB3 ARG A 70 -4.007 1.300 8.266 1.00 0.68 H new ATOM 0 HG2 ARG A 70 -3.259 -1.056 9.805 1.00 0.77 H new ATOM 0 HG3 ARG A 70 -3.378 -1.500 8.114 1.00 0.77 H new ATOM 0 HD2 ARG A 70 -1.973 0.673 7.629 1.00 1.24 H new ATOM 0 HD3 ARG A 70 -1.622 0.682 9.346 1.00 1.24 H new ATOM 0 HE ARG A 70 -0.787 -1.458 7.389 1.00 1.63 H new ATOM 0 HH11 ARG A 70 -1.650 -2.929 9.796 1.00 2.75 H new ATOM 0 HH12 ARG A 70 -0.223 -2.891 10.837 1.00 2.75 H new ATOM 0 HH21 ARG A 70 1.273 -0.238 9.104 1.00 2.52 H new ATOM 0 HH22 ARG A 70 1.423 -1.376 10.447 1.00 2.52 H new ATOM 1246 N LEU A 71 -7.054 1.859 9.257 1.00 0.62 N ATOM 1247 CA LEU A 71 -7.913 3.079 9.232 1.00 0.66 C ATOM 1248 C LEU A 71 -8.964 2.971 10.345 1.00 0.64 C ATOM 1249 O LEU A 71 -9.016 1.988 11.062 1.00 0.76 O ATOM 1250 CB LEU A 71 -8.590 3.072 7.855 1.00 0.65 C ATOM 1251 CG LEU A 71 -7.585 3.487 6.776 1.00 0.71 C ATOM 1252 CD1 LEU A 71 -8.195 3.249 5.392 1.00 0.77 C ATOM 1253 CD2 LEU A 71 -7.247 4.974 6.936 1.00 0.82 C ATOM 0 H LEU A 71 -7.410 1.074 8.712 1.00 0.62 H new ATOM 0 HA LEU A 71 -7.347 3.997 9.392 1.00 0.66 H new ATOM 0 HB2 LEU A 71 -8.980 2.078 7.637 1.00 0.65 H new ATOM 0 HB3 LEU A 71 -9.440 3.755 7.855 1.00 0.65 H new ATOM 0 HG LEU A 71 -6.676 2.895 6.880 1.00 0.71 H new ATOM 0 HD11 LEU A 71 -7.480 3.544 4.624 1.00 0.77 H new ATOM 0 HD12 LEU A 71 -8.435 2.192 5.277 1.00 0.77 H new ATOM 0 HD13 LEU A 71 -9.104 3.841 5.288 1.00 0.77 H new ATOM 0 HD21 LEU A 71 -6.532 5.269 6.168 1.00 0.82 H new ATOM 0 HD22 LEU A 71 -8.156 5.567 6.833 1.00 0.82 H new ATOM 0 HD23 LEU A 71 -6.813 5.144 7.921 1.00 0.82 H new ATOM 1265 N GLN A 72 -9.799 3.965 10.502 1.00 0.84 N ATOM 1266 CA GLN A 72 -10.838 3.899 11.573 1.00 0.81 C ATOM 1267 C GLN A 72 -12.237 3.780 10.950 1.00 0.73 C ATOM 1268 O GLN A 72 -13.093 4.622 11.157 1.00 0.85 O ATOM 1269 CB GLN A 72 -10.686 5.211 12.348 1.00 1.03 C ATOM 1270 CG GLN A 72 -9.571 5.066 13.388 1.00 1.46 C ATOM 1271 CD GLN A 72 -9.880 5.947 14.601 1.00 1.90 C ATOM 1272 OE1 GLN A 72 -9.203 6.927 14.841 1.00 2.43 O ATOM 1273 NE2 GLN A 72 -10.880 5.637 15.383 1.00 2.36 N ATOM 0 H GLN A 72 -9.807 4.815 9.939 1.00 0.84 H new ATOM 0 HA GLN A 72 -10.716 3.032 12.222 1.00 0.81 H new ATOM 0 HB2 GLN A 72 -10.454 6.026 11.662 1.00 1.03 H new ATOM 0 HB3 GLN A 72 -11.625 5.466 12.839 1.00 1.03 H new ATOM 0 HG2 GLN A 72 -9.481 4.024 13.696 1.00 1.46 H new ATOM 0 HG3 GLN A 72 -8.614 5.353 12.952 1.00 1.46 H new ATOM 0 HE21 GLN A 72 -11.449 4.814 15.182 1.00 2.36 H new ATOM 0 HE22 GLN A 72 -11.092 6.218 16.194 1.00 2.36 H new ATOM 1282 N LEU A 73 -12.476 2.736 10.188 1.00 0.62 N ATOM 1283 CA LEU A 73 -13.821 2.560 9.550 1.00 0.70 C ATOM 1284 C LEU A 73 -14.022 1.106 9.087 1.00 0.71 C ATOM 1285 O LEU A 73 -13.259 0.223 9.437 1.00 0.96 O ATOM 1286 CB LEU A 73 -13.834 3.530 8.359 1.00 0.81 C ATOM 1287 CG LEU A 73 -12.805 3.095 7.310 1.00 0.81 C ATOM 1288 CD1 LEU A 73 -13.528 2.699 6.021 1.00 0.85 C ATOM 1289 CD2 LEU A 73 -11.849 4.256 7.022 1.00 0.84 C ATOM 0 H LEU A 73 -11.800 2.001 9.981 1.00 0.62 H new ATOM 0 HA LEU A 73 -14.633 2.770 10.247 1.00 0.70 H new ATOM 0 HB2 LEU A 73 -14.829 3.557 7.914 1.00 0.81 H new ATOM 0 HB3 LEU A 73 -13.610 4.540 8.701 1.00 0.81 H new ATOM 0 HG LEU A 73 -12.239 2.243 7.687 1.00 0.81 H new ATOM 0 HD11 LEU A 73 -12.797 2.389 5.274 1.00 0.85 H new ATOM 0 HD12 LEU A 73 -14.210 1.874 6.225 1.00 0.85 H new ATOM 0 HD13 LEU A 73 -14.093 3.552 5.644 1.00 0.85 H new ATOM 0 HD21 LEU A 73 -11.117 3.948 6.276 1.00 0.84 H new ATOM 0 HD22 LEU A 73 -12.415 5.108 6.645 1.00 0.84 H new ATOM 0 HD23 LEU A 73 -11.334 4.540 7.940 1.00 0.84 H new ATOM 1301 N ASN A 74 -15.051 0.852 8.308 1.00 0.71 N ATOM 1302 CA ASN A 74 -15.315 -0.541 7.826 1.00 0.84 C ATOM 1303 C ASN A 74 -15.832 -0.532 6.377 1.00 1.23 C ATOM 1304 O ASN A 74 -15.724 0.457 5.675 1.00 1.72 O ATOM 1305 CB ASN A 74 -16.385 -1.086 8.780 1.00 0.85 C ATOM 1306 CG ASN A 74 -15.890 -2.388 9.413 1.00 1.12 C ATOM 1307 OD1 ASN A 74 -16.150 -3.461 8.905 1.00 1.72 O ATOM 1308 ND2 ASN A 74 -15.180 -2.339 10.509 1.00 1.55 N ATOM 0 H ASN A 74 -15.719 1.552 7.986 1.00 0.71 H new ATOM 0 HA ASN A 74 -14.413 -1.152 7.824 1.00 0.84 H new ATOM 0 HB2 ASN A 74 -16.603 -0.352 9.556 1.00 0.85 H new ATOM 0 HB3 ASN A 74 -17.314 -1.263 8.238 1.00 0.85 H new ATOM 0 HD21 ASN A 74 -14.844 -3.201 10.938 1.00 1.55 H new ATOM 0 HD22 ASN A 74 -14.962 -1.438 10.935 1.00 1.55 H new ATOM 1315 N ALA A 75 -16.390 -1.635 5.928 1.00 1.25 N ATOM 1316 CA ALA A 75 -16.915 -1.713 4.524 1.00 1.78 C ATOM 1317 C ALA A 75 -18.146 -0.811 4.335 1.00 1.53 C ATOM 1318 O ALA A 75 -18.437 -0.383 3.233 1.00 1.40 O ATOM 1319 CB ALA A 75 -17.296 -3.181 4.320 1.00 2.64 C ATOM 0 H ALA A 75 -16.505 -2.488 6.476 1.00 1.25 H new ATOM 0 HA ALA A 75 -16.172 -1.372 3.803 1.00 1.78 H new ATOM 0 HB1 ALA A 75 -17.690 -3.318 3.313 1.00 2.64 H new ATOM 0 HB2 ALA A 75 -16.414 -3.808 4.453 1.00 2.64 H new ATOM 0 HB3 ALA A 75 -18.056 -3.464 5.048 1.00 2.64 H new ATOM 1325 N ASN A 76 -18.869 -0.520 5.391 1.00 1.67 N ATOM 1326 CA ASN A 76 -20.079 0.355 5.258 1.00 1.77 C ATOM 1327 C ASN A 76 -19.668 1.823 5.078 1.00 1.47 C ATOM 1328 O ASN A 76 -20.355 2.588 4.427 1.00 1.62 O ATOM 1329 CB ASN A 76 -20.859 0.174 6.564 1.00 2.25 C ATOM 1330 CG ASN A 76 -21.884 -0.950 6.398 1.00 3.09 C ATOM 1331 OD1 ASN A 76 -21.639 -2.073 6.792 1.00 3.48 O ATOM 1332 ND2 ASN A 76 -23.030 -0.694 5.826 1.00 3.84 N ATOM 0 H ASN A 76 -18.675 -0.849 6.337 1.00 1.67 H new ATOM 0 HA ASN A 76 -20.677 0.086 4.387 1.00 1.77 H new ATOM 0 HB2 ASN A 76 -20.174 -0.062 7.379 1.00 2.25 H new ATOM 0 HB3 ASN A 76 -21.363 1.103 6.830 1.00 2.25 H new ATOM 0 HD21 ASN A 76 -23.719 -1.437 5.710 1.00 3.84 H new ATOM 0 HD22 ASN A 76 -23.236 0.249 5.495 1.00 3.84 H new ATOM 1339 N GLN A 77 -18.555 2.217 5.650 1.00 1.25 N ATOM 1340 CA GLN A 77 -18.093 3.633 5.517 1.00 1.14 C ATOM 1341 C GLN A 77 -17.603 3.902 4.084 1.00 0.94 C ATOM 1342 O GLN A 77 -18.322 4.452 3.271 1.00 1.47 O ATOM 1343 CB GLN A 77 -16.948 3.772 6.530 1.00 0.98 C ATOM 1344 CG GLN A 77 -17.513 4.228 7.876 1.00 1.42 C ATOM 1345 CD GLN A 77 -17.771 3.013 8.773 1.00 2.06 C ATOM 1346 OE1 GLN A 77 -16.940 2.655 9.582 1.00 2.63 O ATOM 1347 NE2 GLN A 77 -18.899 2.363 8.669 1.00 2.69 N ATOM 0 H GLN A 77 -17.946 1.616 6.205 1.00 1.25 H new ATOM 0 HA GLN A 77 -18.890 4.352 5.710 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -16.431 2.819 6.644 1.00 0.98 H new ATOM 0 HB3 GLN A 77 -16.214 4.492 6.169 1.00 0.98 H new ATOM 0 HG2 GLN A 77 -16.813 4.908 8.362 1.00 1.42 H new ATOM 0 HG3 GLN A 77 -18.440 4.781 7.723 1.00 1.42 H new ATOM 0 HE21 GLN A 77 -19.599 2.662 7.990 1.00 2.69 H new ATOM 0 HE22 GLN A 77 -19.080 1.557 9.267 1.00 2.69 H new ATOM 1356 N ALA A 78 -16.389 3.514 3.775 1.00 0.54 N ATOM 1357 CA ALA A 78 -15.834 3.733 2.401 1.00 0.78 C ATOM 1358 C ALA A 78 -14.470 3.051 2.283 1.00 0.61 C ATOM 1359 O ALA A 78 -13.572 3.311 3.062 1.00 0.66 O ATOM 1360 CB ALA A 78 -15.682 5.250 2.254 1.00 1.10 C ATOM 0 H ALA A 78 -15.752 3.050 4.423 1.00 0.54 H new ATOM 0 HA ALA A 78 -16.480 3.319 1.627 1.00 0.78 H new ATOM 0 HB1 ALA A 78 -15.279 5.481 1.268 1.00 1.10 H new ATOM 0 HB2 ALA A 78 -16.656 5.726 2.369 1.00 1.10 H new ATOM 0 HB3 ALA A 78 -15.003 5.624 3.020 1.00 1.10 H new ATOM 1366 N PHE A 79 -14.307 2.177 1.324 1.00 0.52 N ATOM 1367 CA PHE A 79 -12.998 1.476 1.171 1.00 0.49 C ATOM 1368 C PHE A 79 -12.693 1.222 -0.308 1.00 0.47 C ATOM 1369 O PHE A 79 -13.217 0.306 -0.916 1.00 0.57 O ATOM 1370 CB PHE A 79 -13.168 0.157 1.932 1.00 0.70 C ATOM 1371 CG PHE A 79 -11.888 -0.169 2.661 1.00 0.81 C ATOM 1372 CD1 PHE A 79 -11.660 0.356 3.938 1.00 1.48 C ATOM 1373 CD2 PHE A 79 -10.929 -0.994 2.062 1.00 1.52 C ATOM 1374 CE1 PHE A 79 -10.475 0.057 4.616 1.00 1.69 C ATOM 1375 CE2 PHE A 79 -9.743 -1.293 2.741 1.00 1.72 C ATOM 1376 CZ PHE A 79 -9.517 -0.767 4.017 1.00 1.40 C ATOM 0 H PHE A 79 -15.021 1.919 0.643 1.00 0.52 H new ATOM 0 HA PHE A 79 -12.166 2.064 1.558 1.00 0.49 H new ATOM 0 HB2 PHE A 79 -13.993 0.237 2.640 1.00 0.70 H new ATOM 0 HB3 PHE A 79 -13.419 -0.646 1.239 1.00 0.70 H new ATOM 0 HD1 PHE A 79 -12.400 0.993 4.400 1.00 1.48 H new ATOM 0 HD2 PHE A 79 -11.104 -1.399 1.076 1.00 1.52 H new ATOM 0 HE1 PHE A 79 -10.299 0.462 5.602 1.00 1.69 H new ATOM 0 HE2 PHE A 79 -9.002 -1.930 2.280 1.00 1.72 H new ATOM 0 HZ PHE A 79 -8.601 -0.998 4.541 1.00 1.40 H new ATOM 1386 N PHE A 80 -11.846 2.037 -0.888 1.00 0.46 N ATOM 1387 CA PHE A 80 -11.488 1.865 -2.329 1.00 0.48 C ATOM 1388 C PHE A 80 -9.970 1.976 -2.500 1.00 0.42 C ATOM 1389 O PHE A 80 -9.365 2.947 -2.091 1.00 0.41 O ATOM 1390 CB PHE A 80 -12.195 3.010 -3.067 1.00 0.57 C ATOM 1391 CG PHE A 80 -13.693 2.905 -2.876 1.00 0.71 C ATOM 1392 CD1 PHE A 80 -14.447 2.054 -3.694 1.00 1.29 C ATOM 1393 CD2 PHE A 80 -14.328 3.659 -1.880 1.00 1.38 C ATOM 1394 CE1 PHE A 80 -15.831 1.956 -3.516 1.00 1.38 C ATOM 1395 CE2 PHE A 80 -15.713 3.561 -1.703 1.00 1.50 C ATOM 1396 CZ PHE A 80 -16.465 2.710 -2.520 1.00 1.04 C ATOM 0 H PHE A 80 -11.385 2.818 -0.422 1.00 0.46 H new ATOM 0 HA PHE A 80 -11.791 0.892 -2.716 1.00 0.48 H new ATOM 0 HB2 PHE A 80 -11.839 3.970 -2.692 1.00 0.57 H new ATOM 0 HB3 PHE A 80 -11.952 2.973 -4.129 1.00 0.57 H new ATOM 0 HD1 PHE A 80 -13.959 1.473 -4.463 1.00 1.29 H new ATOM 0 HD2 PHE A 80 -13.748 4.316 -1.249 1.00 1.38 H new ATOM 0 HE1 PHE A 80 -16.411 1.299 -4.147 1.00 1.38 H new ATOM 0 HE2 PHE A 80 -16.201 4.143 -0.935 1.00 1.50 H new ATOM 0 HZ PHE A 80 -17.534 2.634 -2.383 1.00 1.04 H new ATOM 1406 N LEU A 81 -9.352 0.988 -3.097 1.00 0.42 N ATOM 1407 CA LEU A 81 -7.869 1.034 -3.292 1.00 0.38 C ATOM 1408 C LEU A 81 -7.513 0.751 -4.757 1.00 0.39 C ATOM 1409 O LEU A 81 -8.242 0.080 -5.464 1.00 0.47 O ATOM 1410 CB LEU A 81 -7.312 -0.068 -2.385 1.00 0.43 C ATOM 1411 CG LEU A 81 -7.228 0.443 -0.944 1.00 0.59 C ATOM 1412 CD1 LEU A 81 -7.865 -0.580 -0.001 1.00 0.87 C ATOM 1413 CD2 LEU A 81 -5.760 0.644 -0.557 1.00 0.85 C ATOM 0 H LEU A 81 -9.810 0.151 -3.458 1.00 0.42 H new ATOM 0 HA LEU A 81 -7.455 2.012 -3.048 1.00 0.38 H new ATOM 0 HB2 LEU A 81 -7.952 -0.949 -2.432 1.00 0.43 H new ATOM 0 HB3 LEU A 81 -6.324 -0.373 -2.731 1.00 0.43 H new ATOM 0 HG LEU A 81 -7.759 1.392 -0.865 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -7.805 -0.216 1.025 1.00 0.87 H new ATOM 0 HD12 LEU A 81 -8.910 -0.725 -0.274 1.00 0.87 H new ATOM 0 HD13 LEU A 81 -7.334 -1.529 -0.081 1.00 0.87 H new ATOM 0 HD21 LEU A 81 -5.701 1.008 0.469 1.00 0.85 H new ATOM 0 HD22 LEU A 81 -5.229 -0.305 -0.637 1.00 0.85 H new ATOM 0 HD23 LEU A 81 -5.303 1.372 -1.227 1.00 0.85 H new ATOM 1425 N LEU A 82 -6.391 1.256 -5.213 1.00 0.36 N ATOM 1426 CA LEU A 82 -5.969 1.021 -6.631 1.00 0.41 C ATOM 1427 C LEU A 82 -4.446 1.169 -6.758 1.00 0.37 C ATOM 1428 O LEU A 82 -3.816 1.870 -5.988 1.00 0.43 O ATOM 1429 CB LEU A 82 -6.705 2.081 -7.470 1.00 0.51 C ATOM 1430 CG LEU A 82 -6.435 3.491 -6.926 1.00 0.55 C ATOM 1431 CD1 LEU A 82 -6.412 4.486 -8.088 1.00 0.74 C ATOM 1432 CD2 LEU A 82 -7.545 3.888 -5.946 1.00 0.61 C ATOM 0 H LEU A 82 -5.747 1.823 -4.662 1.00 0.36 H new ATOM 0 HA LEU A 82 -6.217 0.016 -6.971 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -6.380 2.019 -8.509 1.00 0.51 H new ATOM 0 HB3 LEU A 82 -7.776 1.881 -7.458 1.00 0.51 H new ATOM 0 HG LEU A 82 -5.474 3.501 -6.411 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -6.220 5.488 -7.705 1.00 0.74 H new ATOM 0 HD12 LEU A 82 -5.625 4.209 -8.789 1.00 0.74 H new ATOM 0 HD13 LEU A 82 -7.375 4.471 -8.599 1.00 0.74 H new ATOM 0 HD21 LEU A 82 -7.350 4.889 -5.562 1.00 0.61 H new ATOM 0 HD22 LEU A 82 -8.506 3.877 -6.461 1.00 0.61 H new ATOM 0 HD23 LEU A 82 -7.569 3.180 -5.118 1.00 0.61 H new ATOM 1444 N VAL A 83 -3.851 0.499 -7.715 1.00 0.45 N ATOM 1445 CA VAL A 83 -2.365 0.583 -7.886 1.00 0.44 C ATOM 1446 C VAL A 83 -2.003 1.610 -8.968 1.00 0.50 C ATOM 1447 O VAL A 83 -2.718 1.778 -9.940 1.00 0.55 O ATOM 1448 CB VAL A 83 -1.921 -0.826 -8.308 1.00 0.46 C ATOM 1449 CG1 VAL A 83 -0.391 -0.910 -8.288 1.00 0.60 C ATOM 1450 CG2 VAL A 83 -2.497 -1.868 -7.339 1.00 0.47 C ATOM 0 H VAL A 83 -4.329 -0.103 -8.385 1.00 0.45 H new ATOM 0 HA VAL A 83 -1.870 0.905 -6.970 1.00 0.44 H new ATOM 0 HB VAL A 83 -2.287 -1.027 -9.315 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -0.078 -1.910 -8.588 1.00 0.60 H new ATOM 0 HG12 VAL A 83 0.023 -0.177 -8.981 1.00 0.60 H new ATOM 0 HG13 VAL A 83 -0.028 -0.702 -7.281 1.00 0.60 H new ATOM 0 HG21 VAL A 83 -2.178 -2.864 -7.645 1.00 0.47 H new ATOM 0 HG22 VAL A 83 -2.137 -1.665 -6.330 1.00 0.47 H new ATOM 0 HG23 VAL A 83 -3.586 -1.815 -7.353 1.00 0.47 H new ATOM 1460 N ASN A 84 -0.890 2.294 -8.792 1.00 0.55 N ATOM 1461 CA ASN A 84 -0.432 3.328 -9.785 1.00 0.64 C ATOM 1462 C ASN A 84 -1.500 4.418 -10.007 1.00 0.66 C ATOM 1463 O ASN A 84 -1.479 5.111 -11.008 1.00 0.76 O ATOM 1464 CB ASN A 84 -0.165 2.559 -11.089 1.00 0.73 C ATOM 1465 CG ASN A 84 1.013 1.598 -10.893 1.00 0.99 C ATOM 1466 OD1 ASN A 84 2.105 2.017 -10.563 1.00 1.36 O ATOM 1467 ND2 ASN A 84 0.837 0.319 -11.086 1.00 1.43 N ATOM 0 H ASN A 84 -0.271 2.177 -7.990 1.00 0.55 H new ATOM 0 HA ASN A 84 0.457 3.847 -9.426 1.00 0.64 H new ATOM 0 HB2 ASN A 84 -1.055 2.003 -11.383 1.00 0.73 H new ATOM 0 HB3 ASN A 84 0.054 3.258 -11.896 1.00 0.73 H new ATOM 0 HD21 ASN A 84 1.616 -0.328 -10.960 1.00 1.43 H new ATOM 0 HD22 ASN A 84 -0.079 -0.034 -11.363 1.00 1.43 H new ATOM 1474 N GLY A 85 -2.424 4.581 -9.082 1.00 0.66 N ATOM 1475 CA GLY A 85 -3.485 5.626 -9.236 1.00 0.79 C ATOM 1476 C GLY A 85 -4.263 5.424 -10.547 1.00 0.80 C ATOM 1477 O GLY A 85 -4.778 6.370 -11.113 1.00 1.04 O ATOM 0 H GLY A 85 -2.485 4.031 -8.225 1.00 0.66 H new ATOM 0 HA2 GLY A 85 -4.171 5.582 -8.390 1.00 0.79 H new ATOM 0 HA3 GLY A 85 -3.030 6.617 -9.226 1.00 0.79 H new ATOM 1481 N HIS A 86 -4.354 4.205 -11.033 1.00 0.67 N ATOM 1482 CA HIS A 86 -5.097 3.948 -12.308 1.00 0.87 C ATOM 1483 C HIS A 86 -5.645 2.512 -12.324 1.00 0.93 C ATOM 1484 O HIS A 86 -5.431 1.765 -13.263 1.00 1.37 O ATOM 1485 CB HIS A 86 -4.058 4.145 -13.423 1.00 1.19 C ATOM 1486 CG HIS A 86 -4.064 5.579 -13.879 1.00 1.51 C ATOM 1487 ND1 HIS A 86 -5.153 6.148 -14.523 1.00 1.75 N ATOM 1488 CD2 HIS A 86 -3.120 6.573 -13.791 1.00 2.22 C ATOM 1489 CE1 HIS A 86 -4.840 7.428 -14.794 1.00 2.43 C ATOM 1490 NE2 HIS A 86 -3.612 7.739 -14.369 1.00 2.88 N ATOM 0 H HIS A 86 -3.944 3.378 -10.599 1.00 0.67 H new ATOM 0 HA HIS A 86 -5.952 4.613 -12.429 1.00 0.87 H new ATOM 0 HB2 HIS A 86 -3.067 3.873 -13.061 1.00 1.19 H new ATOM 0 HB3 HIS A 86 -4.282 3.486 -14.262 1.00 1.19 H new ATOM 0 HD2 HIS A 86 -2.144 6.466 -13.341 1.00 2.22 H new ATOM 0 HE1 HIS A 86 -5.501 8.120 -15.294 1.00 2.43 H new ATOM 0 HE2 HIS A 86 -3.137 8.638 -14.451 1.00 2.88 H new ATOM 1498 N SER A 87 -6.349 2.120 -11.289 1.00 0.84 N ATOM 1499 CA SER A 87 -6.908 0.732 -11.239 1.00 1.08 C ATOM 1500 C SER A 87 -8.204 0.694 -10.416 1.00 0.91 C ATOM 1501 O SER A 87 -8.641 1.695 -9.876 1.00 1.24 O ATOM 1502 CB SER A 87 -5.822 -0.106 -10.564 1.00 1.41 C ATOM 1503 OG SER A 87 -5.923 -1.453 -11.005 1.00 2.07 O ATOM 0 H SER A 87 -6.560 2.701 -10.478 1.00 0.84 H new ATOM 0 HA SER A 87 -7.160 0.359 -12.232 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.837 0.294 -10.804 1.00 1.41 H new ATOM 0 HB3 SER A 87 -5.930 -0.057 -9.481 1.00 1.41 H new ATOM 0 HG SER A 87 -5.226 -1.991 -10.574 1.00 2.07 H new ATOM 1509 N MET A 88 -8.815 -0.462 -10.319 1.00 1.03 N ATOM 1510 CA MET A 88 -10.082 -0.590 -9.533 1.00 1.24 C ATOM 1511 C MET A 88 -9.807 -1.278 -8.192 1.00 1.18 C ATOM 1512 O MET A 88 -8.669 -1.477 -7.806 1.00 1.96 O ATOM 1513 CB MET A 88 -11.007 -1.446 -10.407 1.00 1.67 C ATOM 1514 CG MET A 88 -12.297 -0.676 -10.694 1.00 2.14 C ATOM 1515 SD MET A 88 -13.476 -1.763 -11.536 1.00 2.92 S ATOM 1516 CE MET A 88 -13.086 -1.262 -13.230 1.00 3.36 C ATOM 0 H MET A 88 -8.489 -1.326 -10.752 1.00 1.03 H new ATOM 0 HA MET A 88 -10.526 0.378 -9.302 1.00 1.24 H new ATOM 0 HB2 MET A 88 -10.508 -1.701 -11.342 1.00 1.67 H new ATOM 0 HB3 MET A 88 -11.236 -2.384 -9.902 1.00 1.67 H new ATOM 0 HG2 MET A 88 -12.727 -0.307 -9.763 1.00 2.14 H new ATOM 0 HG3 MET A 88 -12.083 0.195 -11.313 1.00 2.14 H new ATOM 0 HE1 MET A 88 -13.711 -1.820 -13.927 1.00 3.36 H new ATOM 0 HE2 MET A 88 -13.276 -0.195 -13.347 1.00 3.36 H new ATOM 0 HE3 MET A 88 -12.036 -1.469 -13.438 1.00 3.36 H new ATOM 1526 N VAL A 89 -10.844 -1.634 -7.475 1.00 1.02 N ATOM 1527 CA VAL A 89 -10.656 -2.300 -6.151 1.00 0.94 C ATOM 1528 C VAL A 89 -10.898 -3.810 -6.288 1.00 1.18 C ATOM 1529 O VAL A 89 -11.944 -4.319 -5.928 1.00 1.74 O ATOM 1530 CB VAL A 89 -11.694 -1.648 -5.223 1.00 1.09 C ATOM 1531 CG1 VAL A 89 -11.360 -1.984 -3.766 1.00 1.29 C ATOM 1532 CG2 VAL A 89 -11.673 -0.124 -5.412 1.00 1.15 C ATOM 0 H VAL A 89 -11.815 -1.491 -7.751 1.00 1.02 H new ATOM 0 HA VAL A 89 -9.646 -2.180 -5.759 1.00 0.94 H new ATOM 0 HB VAL A 89 -12.685 -2.029 -5.468 1.00 1.09 H new ATOM 0 HG11 VAL A 89 -12.096 -1.522 -3.108 1.00 1.29 H new ATOM 0 HG12 VAL A 89 -11.379 -3.065 -3.628 1.00 1.29 H new ATOM 0 HG13 VAL A 89 -10.367 -1.605 -3.523 1.00 1.29 H new ATOM 0 HG21 VAL A 89 -12.410 0.335 -4.753 1.00 1.15 H new ATOM 0 HG22 VAL A 89 -10.682 0.259 -5.170 1.00 1.15 H new ATOM 0 HG23 VAL A 89 -11.913 0.118 -6.448 1.00 1.15 H new ATOM 1542 N SER A 90 -9.931 -4.526 -6.812 1.00 1.24 N ATOM 1543 CA SER A 90 -10.091 -6.004 -6.984 1.00 1.50 C ATOM 1544 C SER A 90 -9.440 -6.753 -5.815 1.00 1.11 C ATOM 1545 O SER A 90 -8.470 -6.298 -5.236 1.00 1.05 O ATOM 1546 CB SER A 90 -9.375 -6.333 -8.296 1.00 2.08 C ATOM 1547 OG SER A 90 -9.711 -7.656 -8.696 1.00 2.55 O ATOM 0 H SER A 90 -9.037 -4.149 -7.128 1.00 1.24 H new ATOM 0 HA SER A 90 -11.139 -6.302 -7.005 1.00 1.50 H new ATOM 0 HB2 SER A 90 -9.665 -5.622 -9.070 1.00 2.08 H new ATOM 0 HB3 SER A 90 -8.296 -6.242 -8.168 1.00 2.08 H new ATOM 0 HG SER A 90 -9.255 -7.869 -9.537 1.00 2.55 H new ATOM 1553 N VAL A 91 -9.969 -7.902 -5.469 1.00 1.04 N ATOM 1554 CA VAL A 91 -9.391 -8.696 -4.341 1.00 0.75 C ATOM 1555 C VAL A 91 -9.559 -10.193 -4.605 1.00 0.90 C ATOM 1556 O VAL A 91 -10.661 -10.696 -4.718 1.00 1.94 O ATOM 1557 CB VAL A 91 -10.171 -8.277 -3.082 1.00 0.63 C ATOM 1558 CG1 VAL A 91 -11.676 -8.315 -3.358 1.00 0.91 C ATOM 1559 CG2 VAL A 91 -9.859 -9.243 -1.944 1.00 0.63 C ATOM 0 H VAL A 91 -10.779 -8.325 -5.922 1.00 1.04 H new ATOM 0 HA VAL A 91 -8.323 -8.509 -4.225 1.00 0.75 H new ATOM 0 HB VAL A 91 -9.875 -7.264 -2.808 1.00 0.63 H new ATOM 0 HG11 VAL A 91 -12.218 -8.017 -2.461 1.00 0.91 H new ATOM 0 HG12 VAL A 91 -11.914 -7.629 -4.171 1.00 0.91 H new ATOM 0 HG13 VAL A 91 -11.969 -9.326 -3.639 1.00 0.91 H new ATOM 0 HG21 VAL A 91 -10.412 -8.946 -1.053 1.00 0.63 H new ATOM 0 HG22 VAL A 91 -10.152 -10.252 -2.233 1.00 0.63 H new ATOM 0 HG23 VAL A 91 -8.790 -9.222 -1.732 1.00 0.63 H new ATOM 1569 N SER A 92 -8.456 -10.894 -4.684 1.00 0.53 N ATOM 1570 CA SER A 92 -8.471 -12.375 -4.925 1.00 0.48 C ATOM 1571 C SER A 92 -7.069 -12.853 -5.331 1.00 0.47 C ATOM 1572 O SER A 92 -6.721 -14.003 -5.139 1.00 0.53 O ATOM 1573 CB SER A 92 -9.459 -12.623 -6.078 1.00 0.55 C ATOM 1574 OG SER A 92 -9.250 -13.926 -6.616 1.00 0.95 O ATOM 0 H SER A 92 -7.522 -10.494 -4.590 1.00 0.53 H new ATOM 0 HA SER A 92 -8.767 -12.917 -4.027 1.00 0.48 H new ATOM 0 HB2 SER A 92 -10.484 -12.527 -5.719 1.00 0.55 H new ATOM 0 HB3 SER A 92 -9.322 -11.871 -6.855 1.00 0.55 H new ATOM 0 HG SER A 92 -9.881 -14.082 -7.349 1.00 0.95 H new ATOM 1580 N THR A 93 -6.267 -11.979 -5.900 1.00 0.45 N ATOM 1581 CA THR A 93 -4.892 -12.385 -6.330 1.00 0.47 C ATOM 1582 C THR A 93 -3.963 -12.458 -5.112 1.00 0.44 C ATOM 1583 O THR A 93 -4.013 -11.603 -4.247 1.00 0.40 O ATOM 1584 CB THR A 93 -4.419 -11.296 -7.310 1.00 0.50 C ATOM 1585 OG1 THR A 93 -5.511 -10.855 -8.109 1.00 0.51 O ATOM 1586 CG2 THR A 93 -3.328 -11.869 -8.218 1.00 0.57 C ATOM 0 H THR A 93 -6.507 -11.005 -6.084 1.00 0.45 H new ATOM 0 HA THR A 93 -4.886 -13.368 -6.800 1.00 0.47 H new ATOM 0 HB THR A 93 -4.024 -10.453 -6.744 1.00 0.50 H new ATOM 0 HG1 THR A 93 -5.203 -10.161 -8.729 1.00 0.51 H new ATOM 0 HG21 THR A 93 -2.992 -11.099 -8.913 1.00 0.57 H new ATOM 0 HG22 THR A 93 -2.487 -12.202 -7.610 1.00 0.57 H new ATOM 0 HG23 THR A 93 -3.728 -12.714 -8.778 1.00 0.57 H new ATOM 1594 N PRO A 94 -3.141 -13.484 -5.079 1.00 0.46 N ATOM 1595 CA PRO A 94 -2.196 -13.662 -3.948 1.00 0.45 C ATOM 1596 C PRO A 94 -1.101 -12.595 -3.989 1.00 0.40 C ATOM 1597 O PRO A 94 -0.447 -12.408 -4.998 1.00 0.42 O ATOM 1598 CB PRO A 94 -1.617 -15.058 -4.176 1.00 0.50 C ATOM 1599 CG PRO A 94 -1.773 -15.303 -5.642 1.00 0.54 C ATOM 1600 CD PRO A 94 -3.008 -14.558 -6.076 1.00 0.52 C ATOM 0 HA PRO A 94 -2.672 -13.562 -2.973 1.00 0.45 H new ATOM 0 HB2 PRO A 94 -0.570 -15.105 -3.877 1.00 0.50 H new ATOM 0 HB3 PRO A 94 -2.150 -15.807 -3.591 1.00 0.50 H new ATOM 0 HG2 PRO A 94 -0.897 -14.952 -6.188 1.00 0.54 H new ATOM 0 HG3 PRO A 94 -1.871 -16.369 -5.848 1.00 0.54 H new ATOM 0 HD2 PRO A 94 -2.899 -14.157 -7.084 1.00 0.52 H new ATOM 0 HD3 PRO A 94 -3.884 -15.207 -6.084 1.00 0.52 H new ATOM 1608 N ILE A 95 -0.900 -11.899 -2.892 1.00 0.36 N ATOM 1609 CA ILE A 95 0.154 -10.833 -2.840 1.00 0.32 C ATOM 1610 C ILE A 95 1.507 -11.368 -3.352 1.00 0.35 C ATOM 1611 O ILE A 95 2.315 -10.616 -3.860 1.00 0.33 O ATOM 1612 CB ILE A 95 0.232 -10.417 -1.359 1.00 0.31 C ATOM 1613 CG1 ILE A 95 1.036 -9.118 -1.229 1.00 0.31 C ATOM 1614 CG2 ILE A 95 0.903 -11.517 -0.529 1.00 0.37 C ATOM 1615 CD1 ILE A 95 0.112 -7.917 -1.447 1.00 0.51 C ATOM 0 H ILE A 95 -1.424 -12.025 -2.026 1.00 0.36 H new ATOM 0 HA ILE A 95 -0.088 -9.985 -3.481 1.00 0.32 H new ATOM 0 HB ILE A 95 -0.780 -10.261 -0.987 1.00 0.31 H new ATOM 0 HG12 ILE A 95 1.496 -9.061 -0.243 1.00 0.31 H new ATOM 0 HG13 ILE A 95 1.845 -9.105 -1.960 1.00 0.31 H new ATOM 0 HG21 ILE A 95 0.950 -11.207 0.515 1.00 0.37 H new ATOM 0 HG22 ILE A 95 0.324 -12.437 -0.609 1.00 0.37 H new ATOM 0 HG23 ILE A 95 1.912 -11.690 -0.902 1.00 0.37 H new ATOM 0 HD11 ILE A 95 0.686 -6.995 -1.354 1.00 0.51 H new ATOM 0 HD12 ILE A 95 -0.327 -7.972 -2.443 1.00 0.51 H new ATOM 0 HD13 ILE A 95 -0.681 -7.928 -0.699 1.00 0.51 H new ATOM 1627 N SER A 96 1.746 -12.660 -3.235 1.00 0.41 N ATOM 1628 CA SER A 96 3.034 -13.249 -3.728 1.00 0.45 C ATOM 1629 C SER A 96 3.272 -12.872 -5.196 1.00 0.47 C ATOM 1630 O SER A 96 4.309 -12.341 -5.547 1.00 0.50 O ATOM 1631 CB SER A 96 2.857 -14.764 -3.594 1.00 0.51 C ATOM 1632 OG SER A 96 4.013 -15.420 -4.098 1.00 1.16 O ATOM 0 H SER A 96 1.100 -13.330 -2.818 1.00 0.41 H new ATOM 0 HA SER A 96 3.891 -12.882 -3.163 1.00 0.45 H new ATOM 0 HB2 SER A 96 2.700 -15.032 -2.549 1.00 0.51 H new ATOM 0 HB3 SER A 96 1.973 -15.088 -4.143 1.00 0.51 H new ATOM 0 HG SER A 96 4.582 -15.700 -3.351 1.00 1.16 H new ATOM 1638 N GLU A 97 2.316 -13.144 -6.048 1.00 0.48 N ATOM 1639 CA GLU A 97 2.471 -12.808 -7.499 1.00 0.52 C ATOM 1640 C GLU A 97 2.024 -11.366 -7.775 1.00 0.47 C ATOM 1641 O GLU A 97 2.527 -10.722 -8.679 1.00 0.50 O ATOM 1642 CB GLU A 97 1.573 -13.801 -8.238 1.00 0.60 C ATOM 1643 CG GLU A 97 2.091 -13.994 -9.667 1.00 1.12 C ATOM 1644 CD GLU A 97 1.006 -13.578 -10.666 1.00 1.66 C ATOM 1645 OE1 GLU A 97 0.941 -12.402 -10.985 1.00 2.44 O ATOM 1646 OE2 GLU A 97 0.259 -14.443 -11.094 1.00 2.08 O ATOM 0 H GLU A 97 1.431 -13.586 -5.801 1.00 0.48 H new ATOM 0 HA GLU A 97 3.510 -12.878 -7.823 1.00 0.52 H new ATOM 0 HB2 GLU A 97 1.560 -14.756 -7.713 1.00 0.60 H new ATOM 0 HB3 GLU A 97 0.547 -13.434 -8.258 1.00 0.60 H new ATOM 0 HG2 GLU A 97 2.991 -13.398 -9.822 1.00 1.12 H new ATOM 0 HG3 GLU A 97 2.367 -15.036 -9.827 1.00 1.12 H new ATOM 1653 N VAL A 98 1.092 -10.851 -7.003 1.00 0.43 N ATOM 1654 CA VAL A 98 0.622 -9.444 -7.221 1.00 0.41 C ATOM 1655 C VAL A 98 1.790 -8.477 -7.003 1.00 0.38 C ATOM 1656 O VAL A 98 1.968 -7.534 -7.748 1.00 0.39 O ATOM 1657 CB VAL A 98 -0.488 -9.204 -6.186 1.00 0.39 C ATOM 1658 CG1 VAL A 98 -1.079 -7.807 -6.375 1.00 0.38 C ATOM 1659 CG2 VAL A 98 -1.606 -10.230 -6.371 1.00 0.42 C ATOM 0 H VAL A 98 0.638 -11.344 -6.234 1.00 0.43 H new ATOM 0 HA VAL A 98 0.250 -9.285 -8.233 1.00 0.41 H new ATOM 0 HB VAL A 98 -0.058 -9.298 -5.189 1.00 0.39 H new ATOM 0 HG11 VAL A 98 -1.866 -7.642 -5.639 1.00 0.38 H new ATOM 0 HG12 VAL A 98 -0.296 -7.060 -6.243 1.00 0.38 H new ATOM 0 HG13 VAL A 98 -1.497 -7.721 -7.378 1.00 0.38 H new ATOM 0 HG21 VAL A 98 -2.388 -10.052 -5.633 1.00 0.42 H new ATOM 0 HG22 VAL A 98 -2.024 -10.136 -7.373 1.00 0.42 H new ATOM 0 HG23 VAL A 98 -1.204 -11.234 -6.239 1.00 0.42 H new ATOM 1669 N TYR A 99 2.593 -8.724 -5.997 1.00 0.36 N ATOM 1670 CA TYR A 99 3.774 -7.846 -5.728 1.00 0.34 C ATOM 1671 C TYR A 99 4.698 -7.835 -6.946 1.00 0.35 C ATOM 1672 O TYR A 99 5.016 -6.793 -7.483 1.00 0.36 O ATOM 1673 CB TYR A 99 4.484 -8.485 -4.532 1.00 0.34 C ATOM 1674 CG TYR A 99 5.683 -7.653 -4.126 1.00 0.34 C ATOM 1675 CD1 TYR A 99 5.624 -6.252 -4.163 1.00 1.29 C ATOM 1676 CD2 TYR A 99 6.856 -8.289 -3.705 1.00 1.23 C ATOM 1677 CE1 TYR A 99 6.736 -5.495 -3.782 1.00 1.30 C ATOM 1678 CE2 TYR A 99 7.965 -7.531 -3.323 1.00 1.23 C ATOM 1679 CZ TYR A 99 7.907 -6.134 -3.361 1.00 0.41 C ATOM 1680 OH TYR A 99 9.005 -5.386 -2.986 1.00 0.46 O ATOM 0 H TYR A 99 2.480 -9.501 -5.346 1.00 0.36 H new ATOM 0 HA TYR A 99 3.486 -6.814 -5.526 1.00 0.34 H new ATOM 0 HB2 TYR A 99 3.793 -8.572 -3.694 1.00 0.34 H new ATOM 0 HB3 TYR A 99 4.804 -9.495 -4.787 1.00 0.34 H new ATOM 0 HD1 TYR A 99 4.719 -5.758 -4.486 1.00 1.29 H new ATOM 0 HD2 TYR A 99 6.904 -9.368 -3.675 1.00 1.23 H new ATOM 0 HE1 TYR A 99 6.691 -4.416 -3.813 1.00 1.30 H new ATOM 0 HE2 TYR A 99 8.869 -8.024 -2.998 1.00 1.23 H new ATOM 0 HH TYR A 99 9.734 -5.985 -2.720 1.00 0.46 H new ATOM 1690 N GLU A 100 5.123 -9.001 -7.377 1.00 0.37 N ATOM 1691 CA GLU A 100 6.032 -9.098 -8.567 1.00 0.41 C ATOM 1692 C GLU A 100 5.446 -8.332 -9.762 1.00 0.42 C ATOM 1693 O GLU A 100 6.171 -7.752 -10.550 1.00 0.43 O ATOM 1694 CB GLU A 100 6.120 -10.595 -8.889 1.00 0.45 C ATOM 1695 CG GLU A 100 6.936 -11.312 -7.807 1.00 1.18 C ATOM 1696 CD GLU A 100 6.867 -12.826 -8.029 1.00 1.75 C ATOM 1697 OE1 GLU A 100 5.813 -13.394 -7.793 1.00 2.31 O ATOM 1698 OE2 GLU A 100 7.870 -13.393 -8.428 1.00 2.36 O ATOM 0 H GLU A 100 4.878 -9.896 -6.953 1.00 0.37 H new ATOM 0 HA GLU A 100 7.011 -8.664 -8.362 1.00 0.41 H new ATOM 0 HB2 GLU A 100 5.119 -11.023 -8.946 1.00 0.45 H new ATOM 0 HB3 GLU A 100 6.585 -10.740 -9.864 1.00 0.45 H new ATOM 0 HG2 GLU A 100 7.973 -10.977 -7.837 1.00 1.18 H new ATOM 0 HG3 GLU A 100 6.549 -11.061 -6.819 1.00 1.18 H new ATOM 1705 N SER A 101 4.142 -8.325 -9.897 1.00 0.44 N ATOM 1706 CA SER A 101 3.501 -7.598 -11.036 1.00 0.48 C ATOM 1707 C SER A 101 3.296 -6.108 -10.700 1.00 0.50 C ATOM 1708 O SER A 101 3.120 -5.294 -11.588 1.00 0.58 O ATOM 1709 CB SER A 101 2.151 -8.290 -11.234 1.00 0.51 C ATOM 1710 OG SER A 101 1.573 -7.853 -12.458 1.00 1.03 O ATOM 0 H SER A 101 3.493 -8.793 -9.265 1.00 0.44 H new ATOM 0 HA SER A 101 4.120 -7.628 -11.933 1.00 0.48 H new ATOM 0 HB2 SER A 101 2.283 -9.372 -11.247 1.00 0.51 H new ATOM 0 HB3 SER A 101 1.486 -8.059 -10.402 1.00 0.51 H new ATOM 0 HG SER A 101 0.709 -8.296 -12.588 1.00 1.03 H new ATOM 1716 N GLU A 102 3.304 -5.746 -9.434 1.00 0.46 N ATOM 1717 CA GLU A 102 3.092 -4.310 -9.058 1.00 0.51 C ATOM 1718 C GLU A 102 4.252 -3.774 -8.193 1.00 0.49 C ATOM 1719 O GLU A 102 4.066 -2.876 -7.391 1.00 0.52 O ATOM 1720 CB GLU A 102 1.778 -4.302 -8.267 1.00 0.55 C ATOM 1721 CG GLU A 102 0.662 -4.930 -9.114 1.00 0.56 C ATOM 1722 CD GLU A 102 -0.707 -4.529 -8.559 1.00 0.57 C ATOM 1723 OE1 GLU A 102 -0.958 -4.794 -7.394 1.00 1.26 O ATOM 1724 OE2 GLU A 102 -1.485 -3.968 -9.313 1.00 1.18 O ATOM 0 H GLU A 102 3.448 -6.382 -8.649 1.00 0.46 H new ATOM 0 HA GLU A 102 3.053 -3.666 -9.937 1.00 0.51 H new ATOM 0 HB2 GLU A 102 1.899 -4.857 -7.337 1.00 0.55 H new ATOM 0 HB3 GLU A 102 1.511 -3.280 -7.996 1.00 0.55 H new ATOM 0 HG2 GLU A 102 0.753 -4.603 -10.150 1.00 0.56 H new ATOM 0 HG3 GLU A 102 0.760 -6.016 -9.112 1.00 0.56 H new ATOM 1731 N LYS A 103 5.444 -4.313 -8.350 1.00 0.45 N ATOM 1732 CA LYS A 103 6.618 -3.831 -7.543 1.00 0.46 C ATOM 1733 C LYS A 103 6.939 -2.357 -7.854 1.00 0.50 C ATOM 1734 O LYS A 103 6.206 -1.680 -8.553 1.00 0.56 O ATOM 1735 CB LYS A 103 7.788 -4.720 -7.977 1.00 0.45 C ATOM 1736 CG LYS A 103 7.723 -6.057 -7.241 1.00 0.45 C ATOM 1737 CD LYS A 103 9.138 -6.554 -6.958 1.00 0.48 C ATOM 1738 CE LYS A 103 9.067 -7.993 -6.448 1.00 0.43 C ATOM 1739 NZ LYS A 103 10.225 -8.141 -5.520 1.00 0.61 N ATOM 0 H LYS A 103 5.654 -5.067 -9.004 1.00 0.45 H new ATOM 0 HA LYS A 103 6.418 -3.890 -6.473 1.00 0.46 H new ATOM 0 HB2 LYS A 103 7.751 -4.885 -9.054 1.00 0.45 H new ATOM 0 HB3 LYS A 103 8.734 -4.222 -7.763 1.00 0.45 H new ATOM 0 HG2 LYS A 103 7.173 -5.943 -6.307 1.00 0.45 H new ATOM 0 HG3 LYS A 103 7.183 -6.789 -7.842 1.00 0.45 H new ATOM 0 HD2 LYS A 103 9.742 -6.505 -7.864 1.00 0.48 H new ATOM 0 HD3 LYS A 103 9.620 -5.916 -6.218 1.00 0.48 H new ATOM 0 HE2 LYS A 103 8.125 -8.182 -5.934 1.00 0.43 H new ATOM 0 HE3 LYS A 103 9.129 -8.705 -7.271 1.00 0.43 H new ATOM 0 HZ1 LYS A 103 10.543 -9.131 -5.517 1.00 0.61 H new ATOM 0 HZ2 LYS A 103 11.004 -7.529 -5.836 1.00 0.61 H new ATOM 0 HZ3 LYS A 103 9.937 -7.867 -4.559 1.00 0.61 H new ATOM 1753 N ASP A 104 8.039 -1.861 -7.338 1.00 0.51 N ATOM 1754 CA ASP A 104 8.427 -0.438 -7.593 1.00 0.57 C ATOM 1755 C ASP A 104 9.941 -0.333 -7.833 1.00 0.60 C ATOM 1756 O ASP A 104 10.676 -1.285 -7.642 1.00 0.59 O ATOM 1757 CB ASP A 104 8.028 0.308 -6.313 1.00 0.60 C ATOM 1758 CG ASP A 104 7.996 1.817 -6.576 1.00 0.72 C ATOM 1759 OD1 ASP A 104 7.040 2.274 -7.181 1.00 1.44 O ATOM 1760 OD2 ASP A 104 8.924 2.491 -6.161 1.00 1.13 O ATOM 0 H ASP A 104 8.687 -2.384 -6.749 1.00 0.51 H new ATOM 0 HA ASP A 104 7.941 -0.025 -8.477 1.00 0.57 H new ATOM 0 HB2 ASP A 104 7.049 -0.032 -5.974 1.00 0.60 H new ATOM 0 HB3 ASP A 104 8.737 0.084 -5.516 1.00 0.60 H new ATOM 1765 N GLU A 105 10.403 0.824 -8.248 1.00 0.68 N ATOM 1766 CA GLU A 105 11.863 1.031 -8.504 1.00 0.75 C ATOM 1767 C GLU A 105 12.706 0.638 -7.278 1.00 0.69 C ATOM 1768 O GLU A 105 13.804 0.131 -7.414 1.00 0.75 O ATOM 1769 CB GLU A 105 11.987 2.531 -8.789 1.00 0.84 C ATOM 1770 CG GLU A 105 12.822 2.742 -10.049 1.00 1.20 C ATOM 1771 CD GLU A 105 13.054 4.240 -10.268 1.00 1.87 C ATOM 1772 OE1 GLU A 105 13.988 4.767 -9.685 1.00 2.41 O ATOM 1773 OE2 GLU A 105 12.295 4.834 -11.015 1.00 2.49 O ATOM 0 H GLU A 105 9.821 1.644 -8.422 1.00 0.68 H new ATOM 0 HA GLU A 105 12.228 0.415 -9.326 1.00 0.75 H new ATOM 0 HB2 GLU A 105 10.998 2.971 -8.917 1.00 0.84 H new ATOM 0 HB3 GLU A 105 12.453 3.036 -7.942 1.00 0.84 H new ATOM 0 HG2 GLU A 105 13.777 2.226 -9.955 1.00 1.20 H new ATOM 0 HG3 GLU A 105 12.312 2.313 -10.911 1.00 1.20 H new ATOM 1780 N ASP A 106 12.204 0.870 -6.089 1.00 0.64 N ATOM 1781 CA ASP A 106 12.984 0.517 -4.852 1.00 0.62 C ATOM 1782 C ASP A 106 12.568 -0.853 -4.278 1.00 0.65 C ATOM 1783 O ASP A 106 13.102 -1.285 -3.275 1.00 1.05 O ATOM 1784 CB ASP A 106 12.701 1.638 -3.828 1.00 0.67 C ATOM 1785 CG ASP A 106 11.217 2.044 -3.837 1.00 1.31 C ATOM 1786 OD1 ASP A 106 10.374 1.166 -3.744 1.00 1.89 O ATOM 1787 OD2 ASP A 106 10.952 3.229 -3.943 1.00 2.02 O ATOM 0 H ASP A 106 11.289 1.288 -5.918 1.00 0.64 H new ATOM 0 HA ASP A 106 14.046 0.438 -5.085 1.00 0.62 H new ATOM 0 HB2 ASP A 106 12.982 1.301 -2.830 1.00 0.67 H new ATOM 0 HB3 ASP A 106 13.319 2.506 -4.057 1.00 0.67 H new ATOM 1792 N GLY A 107 11.632 -1.539 -4.898 1.00 0.56 N ATOM 1793 CA GLY A 107 11.203 -2.872 -4.374 1.00 0.54 C ATOM 1794 C GLY A 107 10.116 -2.681 -3.312 1.00 0.70 C ATOM 1795 O GLY A 107 10.329 -2.944 -2.143 1.00 1.74 O ATOM 0 H GLY A 107 11.150 -1.231 -5.742 1.00 0.56 H new ATOM 0 HA2 GLY A 107 10.825 -3.490 -5.189 1.00 0.54 H new ATOM 0 HA3 GLY A 107 12.056 -3.397 -3.945 1.00 0.54 H new ATOM 1799 N PHE A 108 8.955 -2.224 -3.714 1.00 0.57 N ATOM 1800 CA PHE A 108 7.839 -2.008 -2.738 1.00 0.45 C ATOM 1801 C PHE A 108 6.488 -2.097 -3.460 1.00 0.36 C ATOM 1802 O PHE A 108 6.353 -1.652 -4.585 1.00 0.43 O ATOM 1803 CB PHE A 108 8.043 -0.583 -2.205 1.00 0.57 C ATOM 1804 CG PHE A 108 8.804 -0.597 -0.894 1.00 0.48 C ATOM 1805 CD1 PHE A 108 8.420 -1.459 0.141 1.00 1.12 C ATOM 1806 CD2 PHE A 108 9.886 0.273 -0.709 1.00 1.44 C ATOM 1807 CE1 PHE A 108 9.119 -1.452 1.354 1.00 1.20 C ATOM 1808 CE2 PHE A 108 10.582 0.280 0.504 1.00 1.42 C ATOM 1809 CZ PHE A 108 10.200 -0.583 1.535 1.00 0.60 C ATOM 0 H PHE A 108 8.731 -1.990 -4.681 1.00 0.57 H new ATOM 0 HA PHE A 108 7.842 -2.753 -1.943 1.00 0.45 H new ATOM 0 HB2 PHE A 108 8.588 0.009 -2.940 1.00 0.57 H new ATOM 0 HB3 PHE A 108 7.075 -0.102 -2.063 1.00 0.57 H new ATOM 0 HD1 PHE A 108 7.584 -2.129 0.003 1.00 1.12 H new ATOM 0 HD2 PHE A 108 10.183 0.940 -1.505 1.00 1.44 H new ATOM 0 HE1 PHE A 108 8.823 -2.118 2.151 1.00 1.20 H new ATOM 0 HE2 PHE A 108 11.415 0.953 0.644 1.00 1.42 H new ATOM 0 HZ PHE A 108 10.739 -0.579 2.471 1.00 0.60 H new ATOM 1819 N LEU A 109 5.481 -2.647 -2.821 1.00 0.32 N ATOM 1820 CA LEU A 109 4.140 -2.729 -3.482 1.00 0.29 C ATOM 1821 C LEU A 109 3.457 -1.358 -3.372 1.00 0.30 C ATOM 1822 O LEU A 109 2.707 -1.093 -2.448 1.00 0.29 O ATOM 1823 CB LEU A 109 3.365 -3.810 -2.715 1.00 0.28 C ATOM 1824 CG LEU A 109 1.975 -3.994 -3.337 1.00 0.47 C ATOM 1825 CD1 LEU A 109 2.033 -5.077 -4.418 1.00 0.74 C ATOM 1826 CD2 LEU A 109 0.981 -4.415 -2.251 1.00 0.98 C ATOM 0 H LEU A 109 5.529 -3.039 -1.880 1.00 0.32 H new ATOM 0 HA LEU A 109 4.196 -2.983 -4.540 1.00 0.29 H new ATOM 0 HB2 LEU A 109 3.913 -4.752 -2.742 1.00 0.28 H new ATOM 0 HB3 LEU A 109 3.270 -3.527 -1.667 1.00 0.28 H new ATOM 0 HG LEU A 109 1.653 -3.053 -3.783 1.00 0.47 H new ATOM 0 HD11 LEU A 109 1.044 -5.205 -4.858 1.00 0.74 H new ATOM 0 HD12 LEU A 109 2.739 -4.780 -5.193 1.00 0.74 H new ATOM 0 HD13 LEU A 109 2.357 -6.018 -3.973 1.00 0.74 H new ATOM 0 HD21 LEU A 109 -0.007 -4.546 -2.693 1.00 0.98 H new ATOM 0 HD22 LEU A 109 1.306 -5.355 -1.805 1.00 0.98 H new ATOM 0 HD23 LEU A 109 0.935 -3.645 -1.481 1.00 0.98 H new ATOM 1838 N TYR A 110 3.748 -0.477 -4.297 1.00 0.35 N ATOM 1839 CA TYR A 110 3.161 0.899 -4.253 1.00 0.36 C ATOM 1840 C TYR A 110 1.669 0.888 -4.608 1.00 0.36 C ATOM 1841 O TYR A 110 1.262 0.352 -5.623 1.00 0.38 O ATOM 1842 CB TYR A 110 3.949 1.706 -5.290 1.00 0.39 C ATOM 1843 CG TYR A 110 5.064 2.466 -4.605 1.00 0.43 C ATOM 1844 CD1 TYR A 110 6.108 1.772 -3.979 1.00 1.28 C ATOM 1845 CD2 TYR A 110 5.053 3.865 -4.601 1.00 1.19 C ATOM 1846 CE1 TYR A 110 7.139 2.479 -3.350 1.00 1.34 C ATOM 1847 CE2 TYR A 110 6.084 4.571 -3.971 1.00 1.22 C ATOM 1848 CZ TYR A 110 7.127 3.878 -3.346 1.00 0.63 C ATOM 1849 OH TYR A 110 8.142 4.574 -2.726 1.00 0.77 O ATOM 0 H TYR A 110 4.371 -0.653 -5.086 1.00 0.35 H new ATOM 0 HA TYR A 110 3.232 1.326 -3.252 1.00 0.36 H new ATOM 0 HB2 TYR A 110 4.362 1.039 -6.047 1.00 0.39 H new ATOM 0 HB3 TYR A 110 3.285 2.401 -5.805 1.00 0.39 H new ATOM 0 HD1 TYR A 110 6.117 0.692 -3.982 1.00 1.28 H new ATOM 0 HD2 TYR A 110 4.249 4.400 -5.084 1.00 1.19 H new ATOM 0 HE1 TYR A 110 7.944 1.945 -2.868 1.00 1.34 H new ATOM 0 HE2 TYR A 110 6.075 5.651 -3.967 1.00 1.22 H new ATOM 0 HH TYR A 110 7.982 5.537 -2.817 1.00 0.77 H new ATOM 1859 N MET A 111 0.860 1.491 -3.772 1.00 0.35 N ATOM 1860 CA MET A 111 -0.613 1.550 -4.031 1.00 0.36 C ATOM 1861 C MET A 111 -1.209 2.801 -3.369 1.00 0.36 C ATOM 1862 O MET A 111 -0.549 3.484 -2.610 1.00 0.57 O ATOM 1863 CB MET A 111 -1.179 0.280 -3.391 1.00 0.35 C ATOM 1864 CG MET A 111 -1.783 -0.616 -4.472 1.00 0.39 C ATOM 1865 SD MET A 111 -1.831 -2.325 -3.879 1.00 0.94 S ATOM 1866 CE MET A 111 -3.582 -2.360 -3.420 1.00 1.29 C ATOM 0 H MET A 111 1.160 1.950 -2.912 1.00 0.35 H new ATOM 0 HA MET A 111 -0.848 1.607 -5.094 1.00 0.36 H new ATOM 0 HB2 MET A 111 -0.391 -0.254 -2.861 1.00 0.35 H new ATOM 0 HB3 MET A 111 -1.939 0.540 -2.654 1.00 0.35 H new ATOM 0 HG2 MET A 111 -2.789 -0.277 -4.720 1.00 0.39 H new ATOM 0 HG3 MET A 111 -1.191 -0.553 -5.385 1.00 0.39 H new ATOM 0 HE1 MET A 111 -3.758 -3.174 -2.717 1.00 1.29 H new ATOM 0 HE2 MET A 111 -3.855 -1.413 -2.955 1.00 1.29 H new ATOM 0 HE3 MET A 111 -4.189 -2.514 -4.312 1.00 1.29 H new ATOM 1876 N VAL A 112 -2.453 3.101 -3.645 1.00 0.31 N ATOM 1877 CA VAL A 112 -3.098 4.303 -3.023 1.00 0.33 C ATOM 1878 C VAL A 112 -4.551 3.981 -2.662 1.00 0.33 C ATOM 1879 O VAL A 112 -5.155 3.091 -3.232 1.00 0.34 O ATOM 1880 CB VAL A 112 -3.032 5.426 -4.074 1.00 0.36 C ATOM 1881 CG1 VAL A 112 -1.581 5.880 -4.254 1.00 0.40 C ATOM 1882 CG2 VAL A 112 -3.579 4.932 -5.418 1.00 0.37 C ATOM 0 H VAL A 112 -3.052 2.567 -4.274 1.00 0.31 H new ATOM 0 HA VAL A 112 -2.592 4.604 -2.106 1.00 0.33 H new ATOM 0 HB VAL A 112 -3.639 6.263 -3.729 1.00 0.36 H new ATOM 0 HG11 VAL A 112 -1.538 6.675 -4.999 1.00 0.40 H new ATOM 0 HG12 VAL A 112 -1.195 6.251 -3.304 1.00 0.40 H new ATOM 0 HG13 VAL A 112 -0.975 5.038 -4.587 1.00 0.40 H new ATOM 0 HG21 VAL A 112 -3.526 5.737 -6.151 1.00 0.37 H new ATOM 0 HG22 VAL A 112 -2.984 4.087 -5.764 1.00 0.37 H new ATOM 0 HG23 VAL A 112 -4.616 4.620 -5.296 1.00 0.37 H new ATOM 1892 N TYR A 113 -5.116 4.693 -1.717 1.00 0.34 N ATOM 1893 CA TYR A 113 -6.532 4.413 -1.323 1.00 0.36 C ATOM 1894 C TYR A 113 -7.425 5.635 -1.540 1.00 0.38 C ATOM 1895 O TYR A 113 -6.969 6.714 -1.876 1.00 0.38 O ATOM 1896 CB TYR A 113 -6.506 4.024 0.165 1.00 0.38 C ATOM 1897 CG TYR A 113 -5.716 5.027 0.983 1.00 0.39 C ATOM 1898 CD1 TYR A 113 -6.258 6.287 1.267 1.00 1.24 C ATOM 1899 CD2 TYR A 113 -4.448 4.688 1.465 1.00 1.31 C ATOM 1900 CE1 TYR A 113 -5.531 7.205 2.033 1.00 1.25 C ATOM 1901 CE2 TYR A 113 -3.718 5.606 2.229 1.00 1.35 C ATOM 1902 CZ TYR A 113 -4.259 6.865 2.514 1.00 0.52 C ATOM 1903 OH TYR A 113 -3.541 7.768 3.274 1.00 0.60 O ATOM 0 H TYR A 113 -4.662 5.450 -1.205 1.00 0.34 H new ATOM 0 HA TYR A 113 -6.946 3.613 -1.936 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -7.526 3.964 0.545 1.00 0.38 H new ATOM 0 HB3 TYR A 113 -6.066 3.033 0.276 1.00 0.38 H new ATOM 0 HD1 TYR A 113 -7.237 6.550 0.895 1.00 1.24 H new ATOM 0 HD2 TYR A 113 -4.031 3.716 1.247 1.00 1.31 H new ATOM 0 HE1 TYR A 113 -5.950 8.176 2.254 1.00 1.25 H new ATOM 0 HE2 TYR A 113 -2.738 5.343 2.598 1.00 1.35 H new ATOM 0 HH TYR A 113 -4.160 8.339 3.775 1.00 0.60 H new ATOM 1913 N ALA A 114 -8.703 5.449 -1.346 1.00 0.42 N ATOM 1914 CA ALA A 114 -9.687 6.560 -1.528 1.00 0.45 C ATOM 1915 C ALA A 114 -11.002 6.217 -0.814 1.00 0.45 C ATOM 1916 O ALA A 114 -11.296 5.062 -0.561 1.00 0.57 O ATOM 1917 CB ALA A 114 -9.908 6.655 -3.040 1.00 0.50 C ATOM 0 H ALA A 114 -9.115 4.560 -1.064 1.00 0.42 H new ATOM 0 HA ALA A 114 -9.330 7.502 -1.111 1.00 0.45 H new ATOM 0 HB1 ALA A 114 -10.621 7.451 -3.254 1.00 0.50 H new ATOM 0 HB2 ALA A 114 -8.961 6.874 -3.533 1.00 0.50 H new ATOM 0 HB3 ALA A 114 -10.300 5.708 -3.411 1.00 0.50 H new ATOM 1923 N SER A 115 -11.793 7.210 -0.491 1.00 0.55 N ATOM 1924 CA SER A 115 -13.091 6.943 0.207 1.00 0.55 C ATOM 1925 C SER A 115 -14.254 6.835 -0.798 1.00 0.67 C ATOM 1926 O SER A 115 -15.386 6.611 -0.412 1.00 0.80 O ATOM 1927 CB SER A 115 -13.296 8.139 1.140 1.00 0.61 C ATOM 1928 OG SER A 115 -13.430 7.672 2.477 1.00 1.32 O ATOM 0 H SER A 115 -11.597 8.193 -0.680 1.00 0.55 H new ATOM 0 HA SER A 115 -13.068 5.997 0.748 1.00 0.55 H new ATOM 0 HB2 SER A 115 -12.451 8.824 1.064 1.00 0.61 H new ATOM 0 HB3 SER A 115 -14.185 8.697 0.846 1.00 0.61 H new ATOM 0 HG SER A 115 -13.560 8.435 3.078 1.00 1.32 H new ATOM 1934 N GLN A 116 -13.992 6.987 -2.079 1.00 0.74 N ATOM 1935 CA GLN A 116 -15.092 6.887 -3.086 1.00 0.90 C ATOM 1936 C GLN A 116 -14.587 6.224 -4.373 1.00 0.93 C ATOM 1937 O GLN A 116 -13.508 5.661 -4.416 1.00 1.03 O ATOM 1938 CB GLN A 116 -15.502 8.336 -3.367 1.00 0.94 C ATOM 1939 CG GLN A 116 -16.810 8.655 -2.640 1.00 1.44 C ATOM 1940 CD GLN A 116 -17.269 10.069 -3.007 1.00 1.87 C ATOM 1941 OE1 GLN A 116 -17.738 10.302 -4.105 1.00 2.42 O ATOM 1942 NE2 GLN A 116 -17.156 11.030 -2.130 1.00 2.47 N ATOM 0 H GLN A 116 -13.067 7.175 -2.465 1.00 0.74 H new ATOM 0 HA GLN A 116 -15.923 6.282 -2.722 1.00 0.90 H new ATOM 0 HB2 GLN A 116 -14.717 9.016 -3.037 1.00 0.94 H new ATOM 0 HB3 GLN A 116 -15.625 8.487 -4.439 1.00 0.94 H new ATOM 0 HG2 GLN A 116 -17.577 7.930 -2.914 1.00 1.44 H new ATOM 0 HG3 GLN A 116 -16.668 8.576 -1.562 1.00 1.44 H new ATOM 0 HE21 GLN A 116 -16.763 10.836 -1.209 1.00 2.47 H new ATOM 0 HE22 GLN A 116 -17.461 11.974 -2.366 1.00 2.47 H new ATOM 1951 N GLU A 117 -15.366 6.304 -5.421 1.00 1.00 N ATOM 1952 CA GLU A 117 -14.958 5.703 -6.728 1.00 1.18 C ATOM 1953 C GLU A 117 -15.282 6.676 -7.876 1.00 1.28 C ATOM 1954 O GLU A 117 -15.569 6.267 -8.986 1.00 1.71 O ATOM 1955 CB GLU A 117 -15.773 4.405 -6.853 1.00 1.46 C ATOM 1956 CG GLU A 117 -17.275 4.711 -6.775 1.00 1.67 C ATOM 1957 CD GLU A 117 -17.847 4.171 -5.460 1.00 1.95 C ATOM 1958 OE1 GLU A 117 -17.845 4.909 -4.488 1.00 2.24 O ATOM 1959 OE2 GLU A 117 -18.279 3.030 -5.448 1.00 2.45 O ATOM 0 H GLU A 117 -16.276 6.764 -5.428 1.00 1.00 H new ATOM 0 HA GLU A 117 -13.888 5.502 -6.778 1.00 1.18 H new ATOM 0 HB2 GLU A 117 -15.544 3.913 -7.798 1.00 1.46 H new ATOM 0 HB3 GLU A 117 -15.494 3.714 -6.058 1.00 1.46 H new ATOM 0 HG2 GLU A 117 -17.440 5.786 -6.840 1.00 1.67 H new ATOM 0 HG3 GLU A 117 -17.792 4.258 -7.621 1.00 1.67 H new ATOM 1966 N THR A 118 -15.235 7.962 -7.609 1.00 1.06 N ATOM 1967 CA THR A 118 -15.537 8.974 -8.668 1.00 1.21 C ATOM 1968 C THR A 118 -14.239 9.461 -9.325 1.00 1.50 C ATOM 1969 O THR A 118 -13.165 9.333 -8.766 1.00 1.82 O ATOM 1970 CB THR A 118 -16.235 10.128 -7.933 1.00 1.42 C ATOM 1971 OG1 THR A 118 -15.497 10.472 -6.765 1.00 1.97 O ATOM 1972 CG2 THR A 118 -17.652 9.709 -7.535 1.00 1.70 C ATOM 0 H THR A 118 -14.999 8.353 -6.697 1.00 1.06 H new ATOM 0 HA THR A 118 -16.159 8.563 -9.463 1.00 1.21 H new ATOM 0 HB THR A 118 -16.287 10.991 -8.596 1.00 1.42 H new ATOM 0 HG1 THR A 118 -15.945 11.209 -6.300 1.00 1.97 H new ATOM 0 HG21 THR A 118 -18.142 10.532 -7.014 1.00 1.70 H new ATOM 0 HG22 THR A 118 -18.221 9.456 -8.429 1.00 1.70 H new ATOM 0 HG23 THR A 118 -17.604 8.841 -6.878 1.00 1.70 H new ATOM 1980 N PHE A 119 -14.333 10.021 -10.506 1.00 1.74 N ATOM 1981 CA PHE A 119 -13.106 10.520 -11.204 1.00 2.39 C ATOM 1982 C PHE A 119 -12.846 11.989 -10.844 1.00 2.81 C ATOM 1983 O PHE A 119 -13.611 12.607 -10.125 1.00 2.86 O ATOM 1984 CB PHE A 119 -13.403 10.381 -12.701 1.00 2.96 C ATOM 1985 CG PHE A 119 -13.463 8.917 -13.077 1.00 3.28 C ATOM 1986 CD1 PHE A 119 -12.281 8.206 -13.318 1.00 3.74 C ATOM 1987 CD2 PHE A 119 -14.701 8.273 -13.186 1.00 3.73 C ATOM 1988 CE1 PHE A 119 -12.337 6.852 -13.667 1.00 4.37 C ATOM 1989 CE2 PHE A 119 -14.757 6.918 -13.534 1.00 4.42 C ATOM 1990 CZ PHE A 119 -13.575 6.208 -13.775 1.00 4.65 C ATOM 0 H PHE A 119 -15.206 10.154 -11.017 1.00 1.74 H new ATOM 0 HA PHE A 119 -12.218 9.959 -10.913 1.00 2.39 H new ATOM 0 HB2 PHE A 119 -14.349 10.867 -12.940 1.00 2.96 H new ATOM 0 HB3 PHE A 119 -12.631 10.884 -13.283 1.00 2.96 H new ATOM 0 HD1 PHE A 119 -11.326 8.703 -13.234 1.00 3.74 H new ATOM 0 HD2 PHE A 119 -15.613 8.821 -13.002 1.00 3.73 H new ATOM 0 HE1 PHE A 119 -11.425 6.304 -13.853 1.00 4.37 H new ATOM 0 HE2 PHE A 119 -15.712 6.421 -13.616 1.00 4.42 H new ATOM 0 HZ PHE A 119 -13.618 5.163 -14.044 1.00 4.65 H new ATOM 2000 N GLY A 120 -11.769 12.547 -11.341 1.00 3.49 N ATOM 2001 CA GLY A 120 -11.445 13.974 -11.038 1.00 4.18 C ATOM 2002 C GLY A 120 -11.680 14.828 -12.285 1.00 4.82 C ATOM 2003 O GLY A 120 -10.706 15.177 -12.931 1.00 5.28 O ATOM 2004 OXT GLY A 120 -12.830 15.118 -12.574 1.00 5.18 O ATOM 0 H GLY A 120 -11.098 12.073 -11.946 1.00 3.49 H new ATOM 0 HA2 GLY A 120 -12.066 14.332 -10.217 1.00 4.18 H new ATOM 0 HA3 GLY A 120 -10.408 14.061 -10.715 1.00 4.18 H new TER 2008 GLY A 120 END