USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) HEADER VIRAL PROTEIN 15-SEP-06 2IDY TITLE NMR STRUCTURE OF THE SARS-COV NON-STRUCTURAL PROTEIN NSP3A COMPND MOL_ID: 1; COMPND 2 MOLECULE: NSP3; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; SOURCE 3 ORGANISM_TAXID: 227859; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 CODONPLUS (DE)-RIL; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-25B KEYWDS SARS CORONAVIRUS NMR NSP3A, STRUCTURAL GENOMICS, PSI-2, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, JOINT CENTER FOR STRUCTURAL KEYWDS 3 GENOMICS, JCSG, VIRAL PROTEIN EXPDTA SOLUTION NMR AUTHOR P.SERRANO,M.S.ALMEIDA,M.A.JOHNSON,R.HORST,T.HERRMANN, AUTHOR 2 J.JOSEPH,K.SAIKATENDU,V.SUBRAMANIAN,R.C.STEVENS,P.KUHN, AUTHOR 3 K.WUTHRICH,JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) REVDAT 3 24-FEB-09 2IDY 1 VERSN REVDAT 2 12-FEB-08 2IDY 1 JRNL REVDAT 1 05-DEC-06 2IDY 0 JRNL AUTH P.SERRANO,M.A.JOHNSON,M.S.ALMEIDA,R.HORST, JRNL AUTH 2 T.HERRMANN,J.S.JOSEPH,B.W.NEUMAN,V.SUBRAMANIAN, JRNL AUTH 3 K.S.SAIKATENDU,M.J.BUCHMEIER,R.C.STEVENS,P.KUHN, JRNL AUTH 4 K.WUTHRICH JRNL TITL NUCLEAR MAGNETIC RESONANCE STRUCTURE OF THE JRNL TITL 2 N-TERMINAL DOMAIN OF NONSTRUCTURAL PROTEIN 3 FROM JRNL TITL 3 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS. JRNL REF J.VIROL. V. 81 12049 2007 JRNL REFN ISSN 0022-538X JRNL PMID 17728234 JRNL DOI 10.1128/JVI.00969-07 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ATNOS/CANDID/CYANA 1.0 REMARK 3 AUTHORS : GUNTER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2IDY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-SEP-06. REMARK 100 THE RCSB ID CODE IS RCSB039463. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 50 MM SODIUM PHOSPHATE, 150 REMARK 210 MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1-2.5 MM 15N, 13C 50MM REMARK 210 PHOSPHATE BUFFER PH 6.5 150 MM REMARK 210 NACL; H20 90%, D20 10% REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ATNOS/CANDID/CYANA 1.0, REMARK 210 TOPSPIN 1.3, CARA 1.4 REMARK 210 METHOD USED : OPAL 1.0 REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : CONFORMER CLOSEST TO THE MEAN REMARK 210 COORDINATES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PRO A 2 72.46 -69.78 REMARK 500 LYS A 4 -171.75 -58.67 REMARK 500 PHE A 8 134.37 -174.70 REMARK 500 ASP A 11 -54.60 -171.04 REMARK 500 GLU A 15 -40.98 -135.53 REMARK 500 THR A 25 75.74 -161.37 REMARK 500 PHE A 26 -77.64 -121.51 REMARK 500 GLU A 27 134.28 -176.83 REMARK 500 LEU A 28 -56.06 -148.69 REMARK 500 CYS A 40 86.98 -179.80 REMARK 500 GLU A 46 -174.37 -59.33 REMARK 500 LEU A 66 56.41 -119.39 REMARK 500 VAL A 69 68.34 -153.61 REMARK 500 ASP A 92 -166.17 -115.90 REMARK 500 SER A 100 -169.20 -79.62 REMARK 500 ASP A 111 -34.11 179.89 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2GRI RELATED DB: PDB REMARK 900 BUNDLE OF 20 CONFORMERS REMARK 900 RELATED ID: 7029 RELATED DB: BMRB REMARK 900 ASSIGNMENTS REMARK 900 RELATED ID: 367632 RELATED DB: TARGETDB DBREF 2IDY A 1 112 UNP P59641 R1AB_CVHSA 819 930 SEQRES 1 A 112 ALA PRO ILE LYS GLY VAL THR PHE GLY GLU ASP THR VAL SEQRES 2 A 112 TRP GLU VAL GLN GLY TYR LYS ASN VAL ARG ILE THR PHE SEQRES 3 A 112 GLU LEU ASP GLU ARG VAL ASP LYS VAL LEU ASN GLU LYS SEQRES 4 A 112 CYS SER VAL TYR THR VAL GLU SER GLY THR GLU VAL THR SEQRES 5 A 112 GLU PHE ALA CYS VAL VAL ALA GLU ALA VAL VAL LYS THR SEQRES 6 A 112 LEU GLN PRO VAL SER ASP LEU LEU THR ASN MET GLY ILE SEQRES 7 A 112 ASP LEU ASP GLU TRP SER VAL ALA THR PHE TYR LEU PHE SEQRES 8 A 112 ASP ASP ALA GLY GLU GLU ASN PHE SER SER ARG MET TYR SEQRES 9 A 112 CYS SER PHE TYR PRO PRO ASP GLU HELIX 1 1 GLU A 53 THR A 65 1 13 HELIX 2 2 VAL A 69 GLY A 77 1 9 HELIX 3 3 ASP A 79 SER A 84 1 6 SHEET 1 A 2 ASN A 21 ARG A 23 0 SHEET 2 A 2 VAL A 42 THR A 44 -1 O TYR A 43 N VAL A 22 SHEET 1 B 2 TYR A 89 PHE A 91 0 SHEET 2 B 2 TYR A 104 SER A 106 -1 O SER A 106 N TYR A 89 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 87 THR OG1 : rot -139:sc= 1.6 USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= 0 X(o=0.11,f=0.08) USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0.114 USER MOD Set 3.1: A 40 CYS SG : rot 55:sc= -0.43 USER MOD Set 3.2: A 65 THR OG1 : rot 74:sc= 1.24 USER MOD Set 4.1: A 25 THR OG1 : rot -56:sc= 0.592 USER MOD Set 4.2: A 37 ASN : amide:sc= 0.596 K(o=1.2,f=-4.1) USER MOD Single : A 1 ALA N :NH3+ -129:sc= -0.185 (180deg=-1.67!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 17 GLN : amide:sc= -0.871 K(o=-0.87,f=-2.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.034) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -148:sc= 0.464 USER MOD Single : A 43 TYR OH : rot -71:sc= 0.54 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00217 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 72:sc= 0.734 USER MOD Single : A 75 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.2) USER MOD Single : A 76 MET CE :methyl -159:sc= -0.551 (180deg=-1.3) USER MOD Single : A 84 SER OG : rot -65:sc= -0.113 USER MOD Single : A 98 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.43) USER MOD Single : A 100 SER OG : rot 180:sc= 0.266 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -149:sc= -4.17! (180deg=-7.35!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 46:sc= -2.19 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.135 10.643 -8.660 1.00 0.00 N ATOM 2 CA ALA A 1 13.247 10.070 -9.409 1.00 0.00 C ATOM 3 C ALA A 1 14.074 9.134 -8.535 1.00 0.00 C ATOM 4 O ALA A 1 15.215 9.427 -8.177 1.00 0.00 O ATOM 5 CB ALA A 1 14.123 11.175 -9.980 1.00 0.00 C ATOM 0 H1 ALA A 1 11.252 10.507 -9.192 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.059 10.172 -7.736 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.300 11.660 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 1 12.836 9.486 -10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.949 10.733 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.530 11.801 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.518 11.783 -9.166 1.00 0.00 H new ATOM 11 N PRO A 2 13.487 7.981 -8.181 1.00 0.00 N ATOM 12 CA PRO A 2 14.153 6.979 -7.344 1.00 0.00 C ATOM 13 C PRO A 2 15.300 6.285 -8.071 1.00 0.00 C ATOM 14 O PRO A 2 15.193 5.118 -8.447 1.00 0.00 O ATOM 15 CB PRO A 2 13.036 5.979 -7.032 1.00 0.00 C ATOM 16 CG PRO A 2 12.074 6.121 -8.160 1.00 0.00 C ATOM 17 CD PRO A 2 12.129 7.567 -8.572 1.00 0.00 C ATOM 0 HA PRO A 2 14.606 7.424 -6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.422 4.962 -6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.561 6.201 -6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.346 5.468 -8.989 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.067 5.841 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.965 7.686 -9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.367 8.159 -8.065 1.00 0.00 H new ATOM 25 N ILE A 3 16.396 7.011 -8.265 1.00 0.00 N ATOM 26 CA ILE A 3 17.563 6.464 -8.945 1.00 0.00 C ATOM 27 C ILE A 3 18.468 5.717 -7.971 1.00 0.00 C ATOM 28 O ILE A 3 18.436 5.961 -6.765 1.00 0.00 O ATOM 29 CB ILE A 3 18.379 7.570 -9.640 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.458 8.471 -10.466 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.459 6.958 -10.520 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.166 9.659 -11.079 1.00 0.00 C ATOM 0 H ILE A 3 16.500 7.979 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 3 17.192 5.769 -9.698 1.00 0.00 H new ATOM 0 HB ILE A 3 18.862 8.179 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.002 7.880 -11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.648 8.829 -9.831 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.027 7.752 -11.004 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.129 6.355 -9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.996 6.328 -11.280 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.452 10.253 -11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.598 10.272 -10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.958 9.309 -11.741 1.00 0.00 H new ATOM 44 N LYS A 4 19.276 4.806 -8.502 1.00 0.00 N ATOM 45 CA LYS A 4 20.193 4.024 -7.682 1.00 0.00 C ATOM 46 C LYS A 4 21.152 4.933 -6.921 1.00 0.00 C ATOM 47 O LYS A 4 21.000 6.154 -6.923 1.00 0.00 O ATOM 48 CB LYS A 4 20.983 3.046 -8.554 1.00 0.00 C ATOM 49 CG LYS A 4 20.734 1.587 -8.212 1.00 0.00 C ATOM 50 CD LYS A 4 21.784 1.053 -7.251 1.00 0.00 C ATOM 51 CE LYS A 4 21.247 0.966 -5.831 1.00 0.00 C ATOM 52 NZ LYS A 4 22.150 0.181 -4.944 1.00 0.00 N ATOM 0 H LYS A 4 19.314 4.591 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 4 19.604 3.461 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.725 3.214 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.047 3.258 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.745 1.480 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.739 0.992 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.110 0.066 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.660 1.701 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.124 1.971 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.259 0.505 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.749 0.145 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.247 -0.786 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.085 0.635 -4.911 1.00 0.00 H new ATOM 66 N GLY A 5 22.144 4.329 -6.272 1.00 0.00 N ATOM 67 CA GLY A 5 23.114 5.100 -5.517 1.00 0.00 C ATOM 68 C GLY A 5 23.671 6.266 -6.310 1.00 0.00 C ATOM 69 O GLY A 5 23.221 7.402 -6.158 1.00 0.00 O ATOM 0 H GLY A 5 22.292 3.320 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.647 5.474 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.933 4.449 -5.211 1.00 0.00 H new ATOM 73 N VAL A 6 24.656 5.986 -7.159 1.00 0.00 N ATOM 74 CA VAL A 6 25.276 7.020 -7.978 1.00 0.00 C ATOM 75 C VAL A 6 24.963 6.812 -9.455 1.00 0.00 C ATOM 76 O VAL A 6 25.684 6.105 -10.161 1.00 0.00 O ATOM 77 CB VAL A 6 26.804 7.047 -7.787 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.377 5.640 -7.873 1.00 0.00 C ATOM 79 CG2 VAL A 6 27.454 7.959 -8.816 1.00 0.00 C ATOM 0 H VAL A 6 25.041 5.052 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 6 24.860 7.973 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 6 27.022 7.443 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.458 5.678 -7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.934 5.019 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.150 5.214 -8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.534 7.966 -8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.229 7.595 -9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 6 27.066 8.971 -8.702 1.00 0.00 H new ATOM 89 N THR A 7 23.883 7.433 -9.919 1.00 0.00 N ATOM 90 CA THR A 7 23.473 7.316 -11.313 1.00 0.00 C ATOM 91 C THR A 7 22.530 8.447 -11.706 1.00 0.00 C ATOM 92 O THR A 7 21.768 8.949 -10.879 1.00 0.00 O ATOM 93 CB THR A 7 22.780 5.967 -11.583 1.00 0.00 C ATOM 94 OG1 THR A 7 23.230 4.987 -10.641 1.00 0.00 O ATOM 95 CG2 THR A 7 23.065 5.486 -12.998 1.00 0.00 C ATOM 0 H THR A 7 23.276 8.022 -9.349 1.00 0.00 H new ATOM 0 HA THR A 7 24.379 7.377 -11.915 1.00 0.00 H new ATOM 0 HB THR A 7 21.705 6.108 -11.474 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.783 4.133 -10.819 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.565 4.532 -13.165 1.00 0.00 H new ATOM 0 HG22 THR A 7 22.694 6.220 -13.713 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.140 5.361 -13.130 1.00 0.00 H new ATOM 103 N PHE A 8 22.585 8.844 -12.973 1.00 0.00 N ATOM 104 CA PHE A 8 21.735 9.917 -13.475 1.00 0.00 C ATOM 105 C PHE A 8 21.904 10.084 -14.983 1.00 0.00 C ATOM 106 O PHE A 8 23.022 10.098 -15.495 1.00 0.00 O ATOM 107 CB PHE A 8 22.063 11.232 -12.765 1.00 0.00 C ATOM 108 CG PHE A 8 23.386 11.817 -13.169 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.568 11.315 -12.650 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.447 12.869 -14.069 1.00 0.00 C ATOM 111 CE1 PHE A 8 25.787 11.853 -13.020 1.00 0.00 C ATOM 112 CE2 PHE A 8 24.662 13.411 -14.443 1.00 0.00 C ATOM 113 CZ PHE A 8 25.834 12.901 -13.918 1.00 0.00 C ATOM 0 H PHE A 8 23.209 8.439 -13.671 1.00 0.00 H new ATOM 0 HA PHE A 8 20.698 9.651 -13.270 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.275 11.956 -12.975 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.063 11.064 -11.688 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.537 10.494 -11.949 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.534 13.270 -14.483 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.702 11.454 -12.607 1.00 0.00 H new ATOM 0 HE2 PHE A 8 24.695 14.232 -15.144 1.00 0.00 H new ATOM 0 HZ PHE A 8 26.785 13.321 -14.209 1.00 0.00 H new ATOM 123 N GLY A 9 20.783 10.210 -15.688 1.00 0.00 N ATOM 124 CA GLY A 9 20.828 10.374 -17.129 1.00 0.00 C ATOM 125 C GLY A 9 21.664 9.307 -17.808 1.00 0.00 C ATOM 126 O GLY A 9 22.652 9.615 -18.474 1.00 0.00 O ATOM 0 H GLY A 9 19.845 10.201 -15.287 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.814 10.344 -17.527 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.235 11.357 -17.367 1.00 0.00 H new ATOM 130 N GLU A 10 21.268 8.049 -17.637 1.00 0.00 N ATOM 131 CA GLU A 10 21.990 6.934 -18.238 1.00 0.00 C ATOM 132 C GLU A 10 21.289 6.450 -19.504 1.00 0.00 C ATOM 133 O GLU A 10 21.931 5.957 -20.432 1.00 0.00 O ATOM 134 CB GLU A 10 22.115 5.782 -17.239 1.00 0.00 C ATOM 135 CG GLU A 10 23.356 5.864 -16.366 1.00 0.00 C ATOM 136 CD GLU A 10 24.630 5.576 -17.136 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.912 4.387 -17.393 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.345 6.540 -17.481 1.00 0.00 O ATOM 0 H GLU A 10 20.452 7.777 -17.088 1.00 0.00 H new ATOM 0 HA GLU A 10 22.987 7.283 -18.507 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.232 5.769 -16.600 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.127 4.839 -17.785 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.420 6.858 -15.924 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.265 5.155 -15.543 1.00 0.00 H new ATOM 145 N ASP A 11 19.969 6.594 -19.534 1.00 0.00 N ATOM 146 CA ASP A 11 19.179 6.173 -20.685 1.00 0.00 C ATOM 147 C ASP A 11 17.735 6.647 -20.557 1.00 0.00 C ATOM 148 O ASP A 11 17.206 7.312 -21.448 1.00 0.00 O ATOM 149 CB ASP A 11 19.219 4.651 -20.828 1.00 0.00 C ATOM 150 CG ASP A 11 19.050 4.200 -22.266 1.00 0.00 C ATOM 151 OD1 ASP A 11 18.284 4.853 -23.006 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.682 3.194 -22.651 1.00 0.00 O ATOM 0 H ASP A 11 19.423 6.999 -18.774 1.00 0.00 H new ATOM 0 HA ASP A 11 19.612 6.626 -21.577 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.168 4.278 -20.442 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.431 4.211 -20.217 1.00 0.00 H new ATOM 157 N THR A 12 17.101 6.299 -19.441 1.00 0.00 N ATOM 158 CA THR A 12 15.717 6.687 -19.197 1.00 0.00 C ATOM 159 C THR A 12 15.260 6.247 -17.811 1.00 0.00 C ATOM 160 O THR A 12 15.955 5.497 -17.125 1.00 0.00 O ATOM 161 CB THR A 12 14.770 6.084 -20.252 1.00 0.00 C ATOM 162 OG1 THR A 12 13.446 6.599 -20.073 1.00 0.00 O ATOM 163 CG2 THR A 12 14.747 4.566 -20.155 1.00 0.00 C ATOM 0 H THR A 12 17.524 5.750 -18.693 1.00 0.00 H new ATOM 0 HA THR A 12 15.677 7.774 -19.263 1.00 0.00 H new ATOM 0 HB THR A 12 15.137 6.363 -21.240 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.850 6.212 -20.748 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.071 4.163 -20.910 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.751 4.176 -20.321 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.402 4.270 -19.164 1.00 0.00 H new ATOM 171 N VAL A 13 14.086 6.718 -17.403 1.00 0.00 N ATOM 172 CA VAL A 13 13.535 6.372 -16.098 1.00 0.00 C ATOM 173 C VAL A 13 12.624 5.153 -16.192 1.00 0.00 C ATOM 174 O VAL A 13 12.187 4.775 -17.279 1.00 0.00 O ATOM 175 CB VAL A 13 12.741 7.547 -15.494 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.626 7.393 -13.985 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.395 8.872 -15.855 1.00 0.00 C ATOM 0 H VAL A 13 13.498 7.340 -17.957 1.00 0.00 H new ATOM 0 HA VAL A 13 14.380 6.142 -15.449 1.00 0.00 H new ATOM 0 HB VAL A 13 11.735 7.538 -15.914 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.062 8.231 -13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.110 6.461 -13.753 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.623 7.376 -13.544 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.822 9.691 -15.421 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.412 8.894 -15.464 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.420 8.982 -16.939 1.00 0.00 H new ATOM 187 N TRP A 14 12.342 4.543 -15.046 1.00 0.00 N ATOM 188 CA TRP A 14 11.482 3.366 -14.999 1.00 0.00 C ATOM 189 C TRP A 14 12.100 2.209 -15.777 1.00 0.00 C ATOM 190 O TRP A 14 11.417 1.243 -16.115 1.00 0.00 O ATOM 191 CB TRP A 14 10.100 3.696 -15.565 1.00 0.00 C ATOM 192 CG TRP A 14 9.141 4.204 -14.531 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.194 5.406 -13.885 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.988 3.524 -14.024 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.143 5.514 -13.006 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.388 4.373 -13.073 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.402 2.282 -14.282 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.233 4.017 -12.381 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.256 1.930 -13.594 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.681 2.795 -12.654 1.00 0.00 C ATOM 0 H TRP A 14 12.696 4.844 -14.138 1.00 0.00 H new ATOM 0 HA TRP A 14 11.378 3.064 -13.957 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.206 4.444 -16.351 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.683 2.803 -16.030 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.950 6.161 -14.042 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.956 6.314 -12.402 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.837 1.609 -15.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.789 4.682 -11.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.796 0.972 -13.784 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.784 2.491 -12.134 1.00 0.00 H new ATOM 211 N GLU A 15 13.396 2.314 -16.055 1.00 0.00 N ATOM 212 CA GLU A 15 14.104 1.275 -16.794 1.00 0.00 C ATOM 213 C GLU A 15 15.450 0.967 -16.144 1.00 0.00 C ATOM 214 O GLU A 15 15.853 -0.192 -16.043 1.00 0.00 O ATOM 215 CB GLU A 15 14.314 1.704 -18.247 1.00 0.00 C ATOM 216 CG GLU A 15 13.124 1.411 -19.146 1.00 0.00 C ATOM 217 CD GLU A 15 13.385 0.266 -20.105 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.267 0.411 -20.977 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.707 -0.776 -19.984 1.00 0.00 O ATOM 0 H GLU A 15 13.976 3.107 -15.780 1.00 0.00 H new ATOM 0 HA GLU A 15 13.494 0.372 -16.774 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.525 2.773 -18.275 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.193 1.195 -18.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.257 1.173 -18.529 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.874 2.307 -19.715 1.00 0.00 H new ATOM 226 N VAL A 16 16.141 2.014 -15.704 1.00 0.00 N ATOM 227 CA VAL A 16 17.442 1.857 -15.063 1.00 0.00 C ATOM 228 C VAL A 16 17.348 2.103 -13.562 1.00 0.00 C ATOM 229 O VAL A 16 18.028 1.448 -12.772 1.00 0.00 O ATOM 230 CB VAL A 16 18.484 2.818 -15.665 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.893 2.297 -15.424 1.00 0.00 C ATOM 232 CG2 VAL A 16 18.228 3.018 -17.152 1.00 0.00 C ATOM 0 H VAL A 16 15.822 2.980 -15.780 1.00 0.00 H new ATOM 0 HA VAL A 16 17.760 0.830 -15.241 1.00 0.00 H new ATOM 0 HB VAL A 16 18.390 3.785 -15.170 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.616 2.989 -15.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.070 2.210 -14.352 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.004 1.318 -15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.974 3.700 -17.561 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.294 2.058 -17.665 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.233 3.439 -17.296 1.00 0.00 H new ATOM 242 N GLN A 17 16.500 3.051 -13.175 1.00 0.00 N ATOM 243 CA GLN A 17 16.317 3.383 -11.767 1.00 0.00 C ATOM 244 C GLN A 17 16.017 2.133 -10.947 1.00 0.00 C ATOM 245 O GLN A 17 16.356 2.055 -9.767 1.00 0.00 O ATOM 246 CB GLN A 17 15.185 4.399 -11.604 1.00 0.00 C ATOM 247 CG GLN A 17 13.816 3.762 -11.434 1.00 0.00 C ATOM 248 CD GLN A 17 12.689 4.773 -11.503 1.00 0.00 C ATOM 249 OE1 GLN A 17 12.888 5.961 -11.243 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.496 4.308 -11.854 1.00 0.00 N ATOM 0 H GLN A 17 15.929 3.602 -13.816 1.00 0.00 H new ATOM 0 HA GLN A 17 17.245 3.821 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.394 5.028 -10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.167 5.053 -12.476 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.671 3.009 -12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.777 3.245 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.376 3.316 -12.061 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.700 4.942 -11.917 1.00 0.00 H new ATOM 259 N GLY A 18 15.376 1.155 -11.581 1.00 0.00 N ATOM 260 CA GLY A 18 15.040 -0.078 -10.894 1.00 0.00 C ATOM 261 C GLY A 18 13.975 0.120 -9.834 1.00 0.00 C ATOM 262 O GLY A 18 14.053 -0.459 -8.750 1.00 0.00 O ATOM 0 H GLY A 18 15.084 1.195 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.692 -0.812 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.937 -0.488 -10.431 1.00 0.00 H new ATOM 266 N TYR A 19 12.979 0.942 -10.144 1.00 0.00 N ATOM 267 CA TYR A 19 11.897 1.219 -9.207 1.00 0.00 C ATOM 268 C TYR A 19 10.628 1.631 -9.947 1.00 0.00 C ATOM 269 O TYR A 19 10.631 1.795 -11.168 1.00 0.00 O ATOM 270 CB TYR A 19 12.310 2.320 -8.229 1.00 0.00 C ATOM 271 CG TYR A 19 13.319 1.866 -7.198 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.935 1.068 -6.127 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.654 2.236 -7.294 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.853 0.652 -5.182 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.579 1.823 -6.355 1.00 0.00 C ATOM 276 CZ TYR A 19 15.174 1.031 -5.300 1.00 0.00 C ATOM 277 OH TYR A 19 16.092 0.619 -4.362 1.00 0.00 O ATOM 0 H TYR A 19 12.898 1.428 -11.037 1.00 0.00 H new ATOM 0 HA TYR A 19 11.691 0.305 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.728 3.156 -8.791 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.422 2.692 -7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.902 0.768 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.975 2.857 -8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.538 0.033 -4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.614 2.118 -6.446 1.00 0.00 H new ATOM 0 HH TYR A 19 16.977 0.972 -4.593 1.00 0.00 H new ATOM 287 N LYS A 20 9.542 1.798 -9.199 1.00 0.00 N ATOM 288 CA LYS A 20 8.265 2.193 -9.781 1.00 0.00 C ATOM 289 C LYS A 20 7.426 2.972 -8.773 1.00 0.00 C ATOM 290 O LYS A 20 7.880 3.265 -7.669 1.00 0.00 O ATOM 291 CB LYS A 20 7.495 0.959 -10.257 1.00 0.00 C ATOM 292 CG LYS A 20 8.067 0.333 -11.517 1.00 0.00 C ATOM 293 CD LYS A 20 9.082 -0.749 -11.190 1.00 0.00 C ATOM 294 CE LYS A 20 8.782 -2.039 -11.939 1.00 0.00 C ATOM 295 NZ LYS A 20 9.617 -2.176 -13.164 1.00 0.00 N ATOM 0 H LYS A 20 9.521 1.666 -8.188 1.00 0.00 H new ATOM 0 HA LYS A 20 8.467 2.839 -10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.491 0.214 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.457 1.237 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.259 -0.093 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.539 1.104 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.082 -0.401 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.078 -0.941 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.959 -2.890 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.727 -2.063 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.383 -3.067 -13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.429 -1.377 -13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.623 -2.179 -12.900 1.00 0.00 H new ATOM 309 N ASN A 21 6.199 3.303 -9.162 1.00 0.00 N ATOM 310 CA ASN A 21 5.296 4.047 -8.292 1.00 0.00 C ATOM 311 C ASN A 21 3.896 3.440 -8.313 1.00 0.00 C ATOM 312 O ASN A 21 3.308 3.247 -9.377 1.00 0.00 O ATOM 313 CB ASN A 21 5.234 5.514 -8.722 1.00 0.00 C ATOM 314 CG ASN A 21 6.590 6.191 -8.667 1.00 0.00 C ATOM 315 OD1 ASN A 21 6.883 6.946 -7.740 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.426 5.921 -9.663 1.00 0.00 N ATOM 0 H ASN A 21 5.807 3.068 -10.074 1.00 0.00 H new ATOM 0 HA ASN A 21 5.682 3.989 -7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.841 5.576 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.537 6.050 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.353 6.346 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.141 5.289 -10.411 1.00 0.00 H new ATOM 323 N VAL A 22 3.369 3.142 -7.130 1.00 0.00 N ATOM 324 CA VAL A 22 2.038 2.558 -7.012 1.00 0.00 C ATOM 325 C VAL A 22 1.246 3.218 -5.888 1.00 0.00 C ATOM 326 O VAL A 22 1.813 3.632 -4.876 1.00 0.00 O ATOM 327 CB VAL A 22 2.111 1.042 -6.752 1.00 0.00 C ATOM 328 CG1 VAL A 22 0.714 0.441 -6.702 1.00 0.00 C ATOM 329 CG2 VAL A 22 2.956 0.360 -7.816 1.00 0.00 C ATOM 0 H VAL A 22 3.843 3.295 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 22 1.531 2.732 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 22 2.585 0.879 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.785 -0.631 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.145 0.910 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.210 0.613 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.997 -0.711 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.512 0.530 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.965 0.771 -7.798 1.00 0.00 H new ATOM 339 N ARG A 23 -0.066 3.313 -6.072 1.00 0.00 N ATOM 340 CA ARG A 23 -0.936 3.923 -5.074 1.00 0.00 C ATOM 341 C ARG A 23 -2.058 2.969 -4.675 1.00 0.00 C ATOM 342 O ARG A 23 -2.368 2.022 -5.398 1.00 0.00 O ATOM 343 CB ARG A 23 -1.528 5.227 -5.611 1.00 0.00 C ATOM 344 CG ARG A 23 -0.781 6.469 -5.153 1.00 0.00 C ATOM 345 CD ARG A 23 -1.623 7.306 -4.201 1.00 0.00 C ATOM 346 NE ARG A 23 -2.042 8.567 -4.806 1.00 0.00 N ATOM 347 CZ ARG A 23 -3.079 9.278 -4.379 1.00 0.00 C ATOM 348 NH1 ARG A 23 -3.799 8.854 -3.349 1.00 0.00 N ATOM 349 NH2 ARG A 23 -3.398 10.417 -4.981 1.00 0.00 N ATOM 0 H ARG A 23 -0.551 2.975 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.336 4.141 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.528 5.195 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.568 5.301 -5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.146 6.176 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.505 7.069 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.503 6.738 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.051 7.510 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.509 8.921 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.557 7.980 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.595 9.402 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.846 10.747 -5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.195 10.962 -4.652 1.00 0.00 H new ATOM 363 N ILE A 24 -2.663 3.226 -3.520 1.00 0.00 N ATOM 364 CA ILE A 24 -3.750 2.391 -3.025 1.00 0.00 C ATOM 365 C ILE A 24 -5.000 3.220 -2.753 1.00 0.00 C ATOM 366 O ILE A 24 -4.942 4.251 -2.081 1.00 0.00 O ATOM 367 CB ILE A 24 -3.349 1.649 -1.736 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.861 1.295 -1.768 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.194 0.396 -1.562 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.464 0.456 -2.962 1.00 0.00 C ATOM 0 H ILE A 24 -2.419 4.006 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.965 1.659 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.529 2.306 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.277 2.215 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.604 0.757 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.899 -0.118 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.246 0.673 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.043 -0.266 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.396 0.244 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.021 -0.481 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.689 1.000 -3.880 1.00 0.00 H new ATOM 382 N THR A 25 -6.133 2.764 -3.278 1.00 0.00 N ATOM 383 CA THR A 25 -7.398 3.463 -3.092 1.00 0.00 C ATOM 384 C THR A 25 -8.581 2.544 -3.376 1.00 0.00 C ATOM 385 O THR A 25 -9.222 2.645 -4.422 1.00 0.00 O ATOM 386 CB THR A 25 -7.495 4.701 -4.002 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.411 5.596 -3.728 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.819 5.422 -3.796 1.00 0.00 C ATOM 0 H THR A 25 -6.200 1.913 -3.836 1.00 0.00 H new ATOM 0 HA THR A 25 -7.432 3.783 -2.051 1.00 0.00 H new ATOM 0 HB THR A 25 -7.438 4.368 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.416 5.834 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.864 6.293 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.642 4.747 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.901 5.743 -2.758 1.00 0.00 H new ATOM 396 N PHE A 26 -8.867 1.647 -2.437 1.00 0.00 N ATOM 397 CA PHE A 26 -9.973 0.709 -2.587 1.00 0.00 C ATOM 398 C PHE A 26 -10.973 0.861 -1.444 1.00 0.00 C ATOM 399 O PHE A 26 -12.034 1.460 -1.610 1.00 0.00 O ATOM 400 CB PHE A 26 -9.449 -0.727 -2.635 1.00 0.00 C ATOM 401 CG PHE A 26 -10.523 -1.750 -2.875 1.00 0.00 C ATOM 402 CD1 PHE A 26 -11.279 -1.720 -4.036 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.777 -2.740 -1.940 1.00 0.00 C ATOM 404 CE1 PHE A 26 -12.268 -2.659 -4.260 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.764 -3.682 -2.159 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.511 -3.641 -3.319 1.00 0.00 C ATOM 0 H PHE A 26 -8.348 1.550 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.483 0.933 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.701 -0.806 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.946 -0.953 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.093 -0.954 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.197 -2.776 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.850 -2.625 -5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.951 -4.450 -1.423 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.284 -4.375 -3.491 1.00 0.00 H new ATOM 416 N GLU A 27 -10.624 0.312 -0.285 1.00 0.00 N ATOM 417 CA GLU A 27 -11.492 0.384 0.885 1.00 0.00 C ATOM 418 C GLU A 27 -10.822 -0.255 2.099 1.00 0.00 C ATOM 419 O GLU A 27 -10.256 -1.345 2.008 1.00 0.00 O ATOM 420 CB GLU A 27 -12.826 -0.308 0.602 1.00 0.00 C ATOM 421 CG GLU A 27 -12.760 -1.823 0.702 1.00 0.00 C ATOM 422 CD GLU A 27 -13.810 -2.510 -0.149 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.059 -2.040 -1.279 1.00 0.00 O ATOM 424 OE2 GLU A 27 -14.382 -3.519 0.315 1.00 0.00 O ATOM 0 H GLU A 27 -9.748 -0.187 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.677 1.436 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.573 0.062 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.164 -0.033 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.770 -2.161 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.889 -2.121 1.743 1.00 0.00 H new ATOM 431 N LEU A 28 -10.892 0.431 3.235 1.00 0.00 N ATOM 432 CA LEU A 28 -10.293 -0.068 4.468 1.00 0.00 C ATOM 433 C LEU A 28 -11.086 0.396 5.685 1.00 0.00 C ATOM 434 O LEU A 28 -11.536 -0.417 6.492 1.00 0.00 O ATOM 435 CB LEU A 28 -8.842 0.402 4.580 1.00 0.00 C ATOM 436 CG LEU A 28 -7.790 -0.696 4.739 1.00 0.00 C ATOM 437 CD1 LEU A 28 -8.007 -1.459 6.037 1.00 0.00 C ATOM 438 CD2 LEU A 28 -7.825 -1.645 3.549 1.00 0.00 C ATOM 0 H LEU A 28 -11.357 1.334 3.328 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.314 -1.157 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.600 0.983 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.765 1.077 5.432 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.807 -0.227 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.249 -2.236 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.931 -0.772 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.997 -1.916 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.070 -2.420 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.810 -2.106 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.620 -1.089 2.634 1.00 0.00 H new ATOM 450 N ASP A 29 -11.254 1.708 5.809 1.00 0.00 N ATOM 451 CA ASP A 29 -11.996 2.281 6.926 1.00 0.00 C ATOM 452 C ASP A 29 -13.103 3.205 6.427 1.00 0.00 C ATOM 453 O ASP A 29 -13.361 3.286 5.227 1.00 0.00 O ATOM 454 CB ASP A 29 -11.052 3.051 7.852 1.00 0.00 C ATOM 455 CG ASP A 29 -9.635 2.513 7.811 1.00 0.00 C ATOM 456 OD1 ASP A 29 -9.469 1.276 7.856 1.00 0.00 O ATOM 457 OD2 ASP A 29 -8.692 3.328 7.734 1.00 0.00 O ATOM 0 H ASP A 29 -10.887 2.394 5.150 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.453 1.463 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.047 4.103 7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.428 2.999 8.874 1.00 0.00 H new ATOM 462 N GLU A 30 -13.753 3.897 7.357 1.00 0.00 N ATOM 463 CA GLU A 30 -14.834 4.813 7.010 1.00 0.00 C ATOM 464 C GLU A 30 -14.509 6.234 7.461 1.00 0.00 C ATOM 465 O GLU A 30 -14.851 7.204 6.786 1.00 0.00 O ATOM 466 CB GLU A 30 -16.147 4.352 7.647 1.00 0.00 C ATOM 467 CG GLU A 30 -16.820 3.215 6.897 1.00 0.00 C ATOM 468 CD GLU A 30 -18.204 3.583 6.399 1.00 0.00 C ATOM 469 OE1 GLU A 30 -19.121 3.718 7.237 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.371 3.737 5.171 1.00 0.00 O ATOM 0 H GLU A 30 -13.551 3.841 8.355 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.944 4.811 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.953 4.035 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.833 5.198 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.198 2.925 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.892 2.346 7.551 1.00 0.00 H new ATOM 477 N ARG A 31 -13.846 6.347 8.608 1.00 0.00 N ATOM 478 CA ARG A 31 -13.476 7.649 9.151 1.00 0.00 C ATOM 479 C ARG A 31 -12.023 7.981 8.824 1.00 0.00 C ATOM 480 O ARG A 31 -11.711 9.090 8.390 1.00 0.00 O ATOM 481 CB ARG A 31 -13.688 7.672 10.666 1.00 0.00 C ATOM 482 CG ARG A 31 -15.034 7.116 11.101 1.00 0.00 C ATOM 483 CD ARG A 31 -16.184 7.937 10.540 1.00 0.00 C ATOM 484 NE ARG A 31 -17.428 7.707 11.269 1.00 0.00 N ATOM 485 CZ ARG A 31 -18.559 8.355 11.016 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.603 9.268 10.055 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.650 8.090 11.723 1.00 0.00 N ATOM 0 H ARG A 31 -13.554 5.553 9.179 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.115 8.402 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.895 7.097 11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.596 8.698 11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.127 6.082 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.090 7.106 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.929 8.996 10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.328 7.687 9.489 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.428 7.010 12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.767 9.474 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.473 9.764 9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.621 7.388 12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.518 8.589 11.527 1.00 0.00 H new ATOM 501 N VAL A 32 -11.138 7.012 9.037 1.00 0.00 N ATOM 502 CA VAL A 32 -9.718 7.201 8.765 1.00 0.00 C ATOM 503 C VAL A 32 -9.323 6.561 7.439 1.00 0.00 C ATOM 504 O VAL A 32 -8.255 5.959 7.322 1.00 0.00 O ATOM 505 CB VAL A 32 -8.848 6.608 9.889 1.00 0.00 C ATOM 506 CG1 VAL A 32 -8.967 7.444 11.154 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.236 5.162 10.156 1.00 0.00 C ATOM 0 H VAL A 32 -11.379 6.089 9.397 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.546 8.276 8.711 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.807 6.627 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.345 7.010 11.937 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.635 8.462 10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.006 7.460 11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.611 4.759 10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.283 5.116 10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.093 4.574 9.250 1.00 0.00 H new ATOM 517 N ASP A 33 -10.190 6.694 6.442 1.00 0.00 N ATOM 518 CA ASP A 33 -9.931 6.130 5.122 1.00 0.00 C ATOM 519 C ASP A 33 -8.925 6.982 4.355 1.00 0.00 C ATOM 520 O ASP A 33 -8.025 6.458 3.697 1.00 0.00 O ATOM 521 CB ASP A 33 -11.233 6.017 4.328 1.00 0.00 C ATOM 522 CG ASP A 33 -11.307 4.740 3.515 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.783 3.707 3.984 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.890 4.772 2.411 1.00 0.00 O ATOM 0 H ASP A 33 -11.079 7.188 6.522 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.509 5.134 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.078 6.056 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.324 6.874 3.661 1.00 0.00 H new ATOM 529 N LYS A 34 -9.082 8.298 4.443 1.00 0.00 N ATOM 530 CA LYS A 34 -8.188 9.224 3.758 1.00 0.00 C ATOM 531 C LYS A 34 -6.825 9.269 4.441 1.00 0.00 C ATOM 532 O LYS A 34 -5.854 9.775 3.878 1.00 0.00 O ATOM 533 CB LYS A 34 -8.801 10.626 3.725 1.00 0.00 C ATOM 534 CG LYS A 34 -8.320 11.526 4.850 1.00 0.00 C ATOM 535 CD LYS A 34 -8.757 11.003 6.208 1.00 0.00 C ATOM 536 CE LYS A 34 -10.128 11.535 6.595 1.00 0.00 C ATOM 537 NZ LYS A 34 -10.070 12.377 7.822 1.00 0.00 N ATOM 0 H LYS A 34 -9.821 8.748 4.983 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.051 8.870 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.565 11.095 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.886 10.540 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.233 11.598 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.711 12.533 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.780 9.913 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.026 11.293 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.536 12.121 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.809 10.700 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.024 12.720 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.705 11.811 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.441 13.188 7.657 1.00 0.00 H new ATOM 551 N VAL A 35 -6.759 8.736 5.656 1.00 0.00 N ATOM 552 CA VAL A 35 -5.514 8.713 6.415 1.00 0.00 C ATOM 553 C VAL A 35 -4.529 7.711 5.824 1.00 0.00 C ATOM 554 O VAL A 35 -3.325 7.782 6.078 1.00 0.00 O ATOM 555 CB VAL A 35 -5.763 8.361 7.893 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.453 8.335 8.665 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.740 9.345 8.518 1.00 0.00 C ATOM 0 H VAL A 35 -7.553 8.314 6.137 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.089 9.715 6.355 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.205 7.366 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.650 8.084 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.790 7.587 8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.979 9.315 8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.904 9.081 9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.329 10.353 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.688 9.307 7.981 1.00 0.00 H new ATOM 567 N LEU A 36 -5.046 6.778 5.033 1.00 0.00 N ATOM 568 CA LEU A 36 -4.212 5.760 4.403 1.00 0.00 C ATOM 569 C LEU A 36 -4.326 5.824 2.884 1.00 0.00 C ATOM 570 O LEU A 36 -3.741 5.009 2.172 1.00 0.00 O ATOM 571 CB LEU A 36 -4.611 4.368 4.898 1.00 0.00 C ATOM 572 CG LEU A 36 -5.820 3.733 4.210 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.372 2.800 3.096 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.677 2.986 5.222 1.00 0.00 C ATOM 0 H LEU A 36 -6.039 6.705 4.812 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.175 5.954 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.757 3.702 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.817 4.429 5.967 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.422 4.528 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.246 2.358 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.801 3.363 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.747 2.010 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.533 2.540 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.084 2.201 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.028 3.681 5.985 1.00 0.00 H new ATOM 586 N ASN A 37 -5.083 6.801 2.394 1.00 0.00 N ATOM 587 CA ASN A 37 -5.273 6.973 0.958 1.00 0.00 C ATOM 588 C ASN A 37 -4.782 8.345 0.505 1.00 0.00 C ATOM 589 O ASN A 37 -4.329 8.509 -0.627 1.00 0.00 O ATOM 590 CB ASN A 37 -6.750 6.802 0.594 1.00 0.00 C ATOM 591 CG ASN A 37 -7.082 7.389 -0.764 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.319 7.243 -1.719 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.225 8.058 -0.856 1.00 0.00 N ATOM 0 H ASN A 37 -5.574 7.485 2.970 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.688 6.210 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.003 5.742 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.367 7.281 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.501 8.476 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.827 8.154 -0.038 1.00 0.00 H new ATOM 600 N GLU A 38 -4.875 9.325 1.398 1.00 0.00 N ATOM 601 CA GLU A 38 -4.440 10.682 1.089 1.00 0.00 C ATOM 602 C GLU A 38 -3.189 11.047 1.884 1.00 0.00 C ATOM 603 O GLU A 38 -2.246 11.628 1.347 1.00 0.00 O ATOM 604 CB GLU A 38 -5.558 11.682 1.392 1.00 0.00 C ATOM 605 CG GLU A 38 -5.081 13.122 1.479 1.00 0.00 C ATOM 606 CD GLU A 38 -4.091 13.475 0.386 1.00 0.00 C ATOM 607 OE1 GLU A 38 -4.263 12.989 -0.751 1.00 0.00 O ATOM 608 OE2 GLU A 38 -3.143 14.238 0.669 1.00 0.00 O ATOM 0 H GLU A 38 -5.247 9.205 2.340 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.201 10.725 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.321 11.607 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.033 11.408 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.940 13.790 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.618 13.289 2.451 1.00 0.00 H new ATOM 615 N LYS A 39 -3.188 10.700 3.166 1.00 0.00 N ATOM 616 CA LYS A 39 -2.054 10.989 4.037 1.00 0.00 C ATOM 617 C LYS A 39 -0.764 10.420 3.456 1.00 0.00 C ATOM 618 O LYS A 39 0.284 11.067 3.494 1.00 0.00 O ATOM 619 CB LYS A 39 -2.296 10.411 5.433 1.00 0.00 C ATOM 620 CG LYS A 39 -1.729 11.266 6.552 1.00 0.00 C ATOM 621 CD LYS A 39 -2.829 11.824 7.440 1.00 0.00 C ATOM 622 CE LYS A 39 -3.762 12.740 6.663 1.00 0.00 C ATOM 623 NZ LYS A 39 -3.880 14.081 7.300 1.00 0.00 N ATOM 0 H LYS A 39 -3.960 10.218 3.626 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.952 12.072 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.368 10.291 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.853 9.416 5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.042 10.671 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.152 12.087 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.401 11.003 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.385 12.374 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.394 12.853 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.749 12.282 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.524 14.676 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.255 13.976 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.943 14.530 7.341 1.00 0.00 H new ATOM 637 N CYS A 40 -0.847 9.208 2.918 1.00 0.00 N ATOM 638 CA CYS A 40 0.315 8.552 2.328 1.00 0.00 C ATOM 639 C CYS A 40 -0.056 7.178 1.781 1.00 0.00 C ATOM 640 O CYS A 40 0.071 6.168 2.474 1.00 0.00 O ATOM 641 CB CYS A 40 1.432 8.418 3.364 1.00 0.00 C ATOM 642 SG CYS A 40 0.878 7.799 4.970 1.00 0.00 S ATOM 0 H CYS A 40 -1.706 8.660 2.878 1.00 0.00 H new ATOM 0 HA CYS A 40 0.669 9.168 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.198 7.748 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.902 9.392 3.504 1.00 0.00 H new ATOM 0 HG CYS A 40 0.245 6.675 4.807 1.00 0.00 H new ATOM 648 N SER A 41 -0.517 7.147 0.535 1.00 0.00 N ATOM 649 CA SER A 41 -0.912 5.897 -0.104 1.00 0.00 C ATOM 650 C SER A 41 0.036 5.547 -1.246 1.00 0.00 C ATOM 651 O SER A 41 -0.117 4.516 -1.902 1.00 0.00 O ATOM 652 CB SER A 41 -2.346 5.998 -0.628 1.00 0.00 C ATOM 653 OG SER A 41 -3.068 4.806 -0.372 1.00 0.00 O ATOM 0 H SER A 41 -0.626 7.974 -0.053 1.00 0.00 H new ATOM 0 HA SER A 41 -0.861 5.104 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.850 6.841 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.332 6.195 -1.700 1.00 0.00 H new ATOM 0 HG SER A 41 -3.729 4.665 -1.082 1.00 0.00 H new ATOM 659 N VAL A 42 1.017 6.413 -1.479 1.00 0.00 N ATOM 660 CA VAL A 42 1.992 6.197 -2.542 1.00 0.00 C ATOM 661 C VAL A 42 3.201 5.422 -2.029 1.00 0.00 C ATOM 662 O VAL A 42 3.720 5.705 -0.949 1.00 0.00 O ATOM 663 CB VAL A 42 2.469 7.531 -3.146 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.971 8.463 -2.053 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.551 7.287 -4.187 1.00 0.00 C ATOM 0 H VAL A 42 1.158 7.271 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 42 1.493 5.615 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 42 1.623 8.010 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.304 9.400 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.165 8.663 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.804 7.994 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.877 8.240 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.399 6.786 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.154 6.659 -4.985 1.00 0.00 H new ATOM 675 N TYR A 43 3.645 4.445 -2.810 1.00 0.00 N ATOM 676 CA TYR A 43 4.793 3.627 -2.435 1.00 0.00 C ATOM 677 C TYR A 43 5.634 3.275 -3.657 1.00 0.00 C ATOM 678 O TYR A 43 5.142 3.272 -4.786 1.00 0.00 O ATOM 679 CB TYR A 43 4.328 2.348 -1.736 1.00 0.00 C ATOM 680 CG TYR A 43 3.382 2.598 -0.583 1.00 0.00 C ATOM 681 CD1 TYR A 43 2.030 2.828 -0.805 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.841 2.602 0.729 1.00 0.00 C ATOM 683 CE1 TYR A 43 1.163 3.057 0.246 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.981 2.828 1.785 1.00 0.00 C ATOM 685 CZ TYR A 43 1.643 3.056 1.539 1.00 0.00 C ATOM 686 OH TYR A 43 0.782 3.282 2.589 1.00 0.00 O ATOM 0 H TYR A 43 3.228 4.199 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 43 5.410 4.206 -1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.837 1.704 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.200 1.807 -1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.650 2.828 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.888 2.425 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.115 3.236 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.354 2.826 2.799 1.00 0.00 H new ATOM 0 HH TYR A 43 0.504 4.222 2.587 1.00 0.00 H new ATOM 696 N THR A 44 6.909 2.978 -3.424 1.00 0.00 N ATOM 697 CA THR A 44 7.821 2.624 -4.505 1.00 0.00 C ATOM 698 C THR A 44 7.982 1.112 -4.617 1.00 0.00 C ATOM 699 O THR A 44 8.028 0.407 -3.609 1.00 0.00 O ATOM 700 CB THR A 44 9.208 3.262 -4.301 1.00 0.00 C ATOM 701 OG1 THR A 44 9.071 4.540 -3.669 1.00 0.00 O ATOM 702 CG2 THR A 44 9.931 3.423 -5.629 1.00 0.00 C ATOM 0 H THR A 44 7.333 2.976 -2.496 1.00 0.00 H new ATOM 0 HA THR A 44 7.383 3.009 -5.426 1.00 0.00 H new ATOM 0 HB THR A 44 9.796 2.602 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.957 4.938 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.908 3.876 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.060 2.446 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.344 4.063 -6.287 1.00 0.00 H new ATOM 710 N VAL A 45 8.066 0.620 -5.849 1.00 0.00 N ATOM 711 CA VAL A 45 8.223 -0.809 -6.092 1.00 0.00 C ATOM 712 C VAL A 45 9.525 -1.100 -6.830 1.00 0.00 C ATOM 713 O VAL A 45 9.731 -0.637 -7.951 1.00 0.00 O ATOM 714 CB VAL A 45 7.045 -1.372 -6.909 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.228 -2.862 -7.153 1.00 0.00 C ATOM 716 CG2 VAL A 45 5.727 -1.097 -6.202 1.00 0.00 C ATOM 0 H VAL A 45 8.028 1.190 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 45 8.244 -1.296 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 45 7.024 -0.870 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.386 -3.242 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.153 -3.029 -7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.276 -3.384 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.906 -1.502 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.735 -1.570 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.594 -0.021 -6.085 1.00 0.00 H new ATOM 726 N GLU A 46 10.400 -1.872 -6.192 1.00 0.00 N ATOM 727 CA GLU A 46 11.683 -2.225 -6.789 1.00 0.00 C ATOM 728 C GLU A 46 11.484 -2.964 -8.109 1.00 0.00 C ATOM 729 O GLU A 46 10.360 -3.102 -8.592 1.00 0.00 O ATOM 730 CB GLU A 46 12.498 -3.090 -5.825 1.00 0.00 C ATOM 731 CG GLU A 46 13.878 -2.530 -5.524 1.00 0.00 C ATOM 732 CD GLU A 46 14.941 -3.608 -5.448 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.320 -4.144 -6.511 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.395 -3.917 -4.326 1.00 0.00 O ATOM 0 H GLU A 46 10.244 -2.264 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 46 12.228 -1.303 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.947 -3.197 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.605 -4.089 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.150 -1.810 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.848 -1.988 -4.579 1.00 0.00 H new ATOM 741 N SER A 47 12.583 -3.438 -8.687 1.00 0.00 N ATOM 742 CA SER A 47 12.531 -4.159 -9.953 1.00 0.00 C ATOM 743 C SER A 47 12.050 -5.592 -9.743 1.00 0.00 C ATOM 744 O SER A 47 11.060 -6.020 -10.335 1.00 0.00 O ATOM 745 CB SER A 47 13.908 -4.164 -10.619 1.00 0.00 C ATOM 746 OG SER A 47 13.862 -4.807 -11.881 1.00 0.00 O ATOM 0 H SER A 47 13.520 -3.336 -8.298 1.00 0.00 H new ATOM 0 HA SER A 47 11.822 -3.648 -10.605 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.260 -3.140 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.625 -4.672 -9.974 1.00 0.00 H new ATOM 0 HG SER A 47 14.754 -4.795 -12.287 1.00 0.00 H new ATOM 752 N GLY A 48 12.759 -6.329 -8.893 1.00 0.00 N ATOM 753 CA GLY A 48 12.390 -7.705 -8.619 1.00 0.00 C ATOM 754 C GLY A 48 11.684 -7.862 -7.287 1.00 0.00 C ATOM 755 O GLY A 48 12.324 -8.077 -6.257 1.00 0.00 O ATOM 0 H GLY A 48 13.582 -5.997 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.741 -8.069 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.285 -8.327 -8.628 1.00 0.00 H new ATOM 759 N THR A 49 10.359 -7.752 -7.304 1.00 0.00 N ATOM 760 CA THR A 49 9.566 -7.880 -6.089 1.00 0.00 C ATOM 761 C THR A 49 8.274 -8.645 -6.353 1.00 0.00 C ATOM 762 O THR A 49 7.860 -8.803 -7.501 1.00 0.00 O ATOM 763 CB THR A 49 9.219 -6.501 -5.496 1.00 0.00 C ATOM 764 OG1 THR A 49 10.302 -5.589 -5.713 1.00 0.00 O ATOM 765 CG2 THR A 49 8.931 -6.609 -4.007 1.00 0.00 C ATOM 0 H THR A 49 9.813 -7.574 -8.147 1.00 0.00 H new ATOM 0 HA THR A 49 10.174 -8.433 -5.373 1.00 0.00 H new ATOM 0 HB THR A 49 8.325 -6.129 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.074 -4.714 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.689 -5.623 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.088 -7.281 -3.847 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.810 -7.000 -3.494 1.00 0.00 H new ATOM 773 N GLU A 50 7.643 -9.119 -5.283 1.00 0.00 N ATOM 774 CA GLU A 50 6.397 -9.868 -5.402 1.00 0.00 C ATOM 775 C GLU A 50 5.218 -9.048 -4.889 1.00 0.00 C ATOM 776 O GLU A 50 5.390 -8.117 -4.102 1.00 0.00 O ATOM 777 CB GLU A 50 6.493 -11.184 -4.627 1.00 0.00 C ATOM 778 CG GLU A 50 6.798 -12.387 -5.505 1.00 0.00 C ATOM 779 CD GLU A 50 5.648 -13.374 -5.562 1.00 0.00 C ATOM 780 OE1 GLU A 50 4.554 -12.983 -6.021 1.00 0.00 O ATOM 781 OE2 GLU A 50 5.842 -14.536 -5.148 1.00 0.00 O ATOM 0 H GLU A 50 7.973 -8.998 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 50 6.233 -10.086 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.270 -11.093 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.553 -11.356 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.030 -12.046 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.687 -12.892 -5.127 1.00 0.00 H new ATOM 788 N VAL A 51 4.018 -9.400 -5.342 1.00 0.00 N ATOM 789 CA VAL A 51 2.809 -8.697 -4.929 1.00 0.00 C ATOM 790 C VAL A 51 2.550 -8.879 -3.438 1.00 0.00 C ATOM 791 O VAL A 51 1.752 -8.154 -2.841 1.00 0.00 O ATOM 792 CB VAL A 51 1.579 -9.187 -5.716 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.401 -8.249 -5.504 1.00 0.00 C ATOM 794 CG2 VAL A 51 1.910 -9.315 -7.195 1.00 0.00 C ATOM 0 H VAL A 51 3.858 -10.167 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 51 2.969 -7.640 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 51 1.299 -10.172 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.459 -8.611 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.151 -8.213 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.665 -7.249 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.030 -9.662 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.216 -8.344 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.722 -10.031 -7.326 1.00 0.00 H new ATOM 804 N THR A 52 3.230 -9.852 -2.838 1.00 0.00 N ATOM 805 CA THR A 52 3.073 -10.130 -1.416 1.00 0.00 C ATOM 806 C THR A 52 4.081 -9.341 -0.588 1.00 0.00 C ATOM 807 O THR A 52 3.857 -9.082 0.594 1.00 0.00 O ATOM 808 CB THR A 52 3.241 -11.631 -1.116 1.00 0.00 C ATOM 809 OG1 THR A 52 3.224 -11.852 0.299 1.00 0.00 O ATOM 810 CG2 THR A 52 4.542 -12.158 -1.701 1.00 0.00 C ATOM 0 H THR A 52 3.895 -10.461 -3.316 1.00 0.00 H new ATOM 0 HA THR A 52 2.063 -9.824 -1.143 1.00 0.00 H new ATOM 0 HB THR A 52 2.411 -12.166 -1.577 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.330 -12.809 0.482 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.638 -13.220 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.539 -12.015 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.382 -11.617 -1.265 1.00 0.00 H new ATOM 818 N GLU A 53 5.189 -8.963 -1.216 1.00 0.00 N ATOM 819 CA GLU A 53 6.231 -8.203 -0.535 1.00 0.00 C ATOM 820 C GLU A 53 5.730 -6.814 -0.152 1.00 0.00 C ATOM 821 O GLU A 53 6.136 -6.253 0.866 1.00 0.00 O ATOM 822 CB GLU A 53 7.470 -8.083 -1.424 1.00 0.00 C ATOM 823 CG GLU A 53 8.779 -8.140 -0.655 1.00 0.00 C ATOM 824 CD GLU A 53 9.621 -6.893 -0.842 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.092 -5.782 -0.630 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.810 -7.028 -1.201 1.00 0.00 O ATOM 0 H GLU A 53 5.389 -9.170 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 53 6.497 -8.738 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.457 -8.885 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.422 -7.143 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.567 -8.275 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.349 -9.011 -0.980 1.00 0.00 H new ATOM 833 N PHE A 54 4.843 -6.264 -0.975 1.00 0.00 N ATOM 834 CA PHE A 54 4.287 -4.939 -0.725 1.00 0.00 C ATOM 835 C PHE A 54 3.252 -4.987 0.395 1.00 0.00 C ATOM 836 O PHE A 54 2.924 -3.964 0.996 1.00 0.00 O ATOM 837 CB PHE A 54 3.650 -4.381 -2.000 1.00 0.00 C ATOM 838 CG PHE A 54 4.428 -4.695 -3.245 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.760 -4.329 -3.357 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.828 -5.356 -4.305 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.479 -4.616 -4.502 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.542 -5.647 -5.452 1.00 0.00 C ATOM 843 CZ PHE A 54 5.868 -5.275 -5.551 1.00 0.00 C ATOM 0 H PHE A 54 4.494 -6.715 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 54 5.101 -4.283 -0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.642 -4.784 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.553 -3.300 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.242 -3.813 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.790 -5.647 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.517 -4.326 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.063 -6.165 -6.270 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.427 -5.499 -6.448 1.00 0.00 H new ATOM 853 N ALA A 55 2.740 -6.182 0.669 1.00 0.00 N ATOM 854 CA ALA A 55 1.743 -6.365 1.717 1.00 0.00 C ATOM 855 C ALA A 55 2.371 -6.232 3.100 1.00 0.00 C ATOM 856 O ALA A 55 1.667 -6.196 4.111 1.00 0.00 O ATOM 857 CB ALA A 55 1.066 -7.719 1.571 1.00 0.00 C ATOM 0 H ALA A 55 2.999 -7.039 0.180 1.00 0.00 H new ATOM 0 HA ALA A 55 0.992 -5.583 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.324 -7.842 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.575 -7.778 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.813 -8.509 1.649 1.00 0.00 H new ATOM 863 N CYS A 56 3.697 -6.159 3.139 1.00 0.00 N ATOM 864 CA CYS A 56 4.419 -6.031 4.400 1.00 0.00 C ATOM 865 C CYS A 56 5.089 -4.665 4.506 1.00 0.00 C ATOM 866 O CYS A 56 5.523 -4.257 5.583 1.00 0.00 O ATOM 867 CB CYS A 56 5.467 -7.138 4.525 1.00 0.00 C ATOM 868 SG CYS A 56 5.855 -7.596 6.231 1.00 0.00 S ATOM 0 H CYS A 56 4.294 -6.186 2.312 1.00 0.00 H new ATOM 0 HA CYS A 56 3.701 -6.127 5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.112 -8.022 3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.382 -6.815 4.029 1.00 0.00 H new ATOM 0 HG CYS A 56 6.749 -8.540 6.234 1.00 0.00 H new ATOM 874 N VAL A 57 5.172 -3.963 3.380 1.00 0.00 N ATOM 875 CA VAL A 57 5.790 -2.643 3.346 1.00 0.00 C ATOM 876 C VAL A 57 4.738 -1.546 3.226 1.00 0.00 C ATOM 877 O VAL A 57 4.967 -0.404 3.625 1.00 0.00 O ATOM 878 CB VAL A 57 6.782 -2.518 2.175 1.00 0.00 C ATOM 879 CG1 VAL A 57 7.463 -1.157 2.194 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.810 -3.638 2.225 1.00 0.00 C ATOM 0 H VAL A 57 4.819 -4.287 2.479 1.00 0.00 H new ATOM 0 HA VAL A 57 6.330 -2.523 4.285 1.00 0.00 H new ATOM 0 HB VAL A 57 6.227 -2.607 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.160 -1.087 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.711 -0.373 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.006 -1.035 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.503 -3.534 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.362 -3.584 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.303 -4.601 2.158 1.00 0.00 H new ATOM 890 N VAL A 58 3.582 -1.901 2.674 1.00 0.00 N ATOM 891 CA VAL A 58 2.492 -0.948 2.503 1.00 0.00 C ATOM 892 C VAL A 58 1.587 -0.921 3.730 1.00 0.00 C ATOM 893 O VAL A 58 1.175 0.144 4.187 1.00 0.00 O ATOM 894 CB VAL A 58 1.645 -1.281 1.261 1.00 0.00 C ATOM 895 CG1 VAL A 58 0.487 -0.303 1.126 1.00 0.00 C ATOM 896 CG2 VAL A 58 2.510 -1.272 0.009 1.00 0.00 C ATOM 0 H VAL A 58 3.376 -2.842 2.338 1.00 0.00 H new ATOM 0 HA VAL A 58 2.948 0.033 2.370 1.00 0.00 H new ATOM 0 HB VAL A 58 1.231 -2.282 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.100 -0.554 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.146 -0.364 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.876 0.710 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.896 -1.509 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.954 -0.285 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.301 -2.015 0.108 1.00 0.00 H new ATOM 906 N ALA A 59 1.282 -2.102 4.258 1.00 0.00 N ATOM 907 CA ALA A 59 0.427 -2.214 5.434 1.00 0.00 C ATOM 908 C ALA A 59 1.133 -1.684 6.678 1.00 0.00 C ATOM 909 O ALA A 59 0.486 -1.290 7.648 1.00 0.00 O ATOM 910 CB ALA A 59 0.003 -3.660 5.641 1.00 0.00 C ATOM 0 H ALA A 59 1.614 -2.994 3.891 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.462 -1.606 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.635 -3.730 6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.547 -4.007 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.887 -4.282 5.783 1.00 0.00 H new ATOM 916 N GLU A 60 2.462 -1.680 6.643 1.00 0.00 N ATOM 917 CA GLU A 60 3.253 -1.200 7.769 1.00 0.00 C ATOM 918 C GLU A 60 2.903 0.247 8.103 1.00 0.00 C ATOM 919 O GLU A 60 2.325 0.531 9.152 1.00 0.00 O ATOM 920 CB GLU A 60 4.747 -1.315 7.457 1.00 0.00 C ATOM 921 CG GLU A 60 5.472 -2.335 8.319 1.00 0.00 C ATOM 922 CD GLU A 60 6.875 -1.894 8.689 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.796 -2.095 7.870 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.051 -1.347 9.798 1.00 0.00 O ATOM 0 H GLU A 60 3.013 -2.004 5.848 1.00 0.00 H new ATOM 0 HA GLU A 60 3.020 -1.821 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.871 -1.585 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.214 -0.340 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.898 -2.510 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.522 -3.285 7.787 1.00 0.00 H new ATOM 931 N ALA A 61 3.256 1.159 7.203 1.00 0.00 N ATOM 932 CA ALA A 61 2.978 2.576 7.400 1.00 0.00 C ATOM 933 C ALA A 61 1.506 2.807 7.723 1.00 0.00 C ATOM 934 O ALA A 61 1.163 3.696 8.502 1.00 0.00 O ATOM 935 CB ALA A 61 3.381 3.370 6.166 1.00 0.00 C ATOM 0 H ALA A 61 3.736 0.941 6.330 1.00 0.00 H new ATOM 0 HA ALA A 61 3.568 2.922 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.168 4.427 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.447 3.239 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.817 3.014 5.304 1.00 0.00 H new ATOM 941 N VAL A 62 0.639 2.000 7.119 1.00 0.00 N ATOM 942 CA VAL A 62 -0.797 2.117 7.342 1.00 0.00 C ATOM 943 C VAL A 62 -1.132 2.018 8.826 1.00 0.00 C ATOM 944 O VAL A 62 -2.171 2.505 9.273 1.00 0.00 O ATOM 945 CB VAL A 62 -1.574 1.028 6.579 1.00 0.00 C ATOM 946 CG1 VAL A 62 -3.055 1.090 6.920 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.357 1.171 5.080 1.00 0.00 C ATOM 0 H VAL A 62 0.906 1.258 6.472 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.097 3.096 6.969 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.196 0.053 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.588 0.313 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.189 0.935 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.452 2.067 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.913 0.394 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.707 2.150 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.295 1.072 4.855 1.00 0.00 H new ATOM 957 N VAL A 63 -0.244 1.386 9.587 1.00 0.00 N ATOM 958 CA VAL A 63 -0.444 1.224 11.022 1.00 0.00 C ATOM 959 C VAL A 63 -0.101 2.506 11.772 1.00 0.00 C ATOM 960 O VAL A 63 -0.978 3.165 12.332 1.00 0.00 O ATOM 961 CB VAL A 63 0.410 0.071 11.582 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.322 0.029 13.100 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.025 -1.255 10.977 1.00 0.00 C ATOM 0 H VAL A 63 0.621 0.978 9.233 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.498 0.990 11.170 1.00 0.00 H new ATOM 0 HB VAL A 63 1.450 0.246 11.308 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.932 -0.792 13.477 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.686 0.970 13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.715 -0.121 13.400 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.589 -2.059 11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.072 -1.439 11.219 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.096 -1.218 9.894 1.00 0.00 H new ATOM 973 N LYS A 64 1.181 2.856 11.780 1.00 0.00 N ATOM 974 CA LYS A 64 1.642 4.061 12.460 1.00 0.00 C ATOM 975 C LYS A 64 0.916 5.294 11.932 1.00 0.00 C ATOM 976 O LYS A 64 0.774 6.294 12.638 1.00 0.00 O ATOM 977 CB LYS A 64 3.152 4.228 12.278 1.00 0.00 C ATOM 978 CG LYS A 64 3.610 4.086 10.837 1.00 0.00 C ATOM 979 CD LYS A 64 4.664 3.001 10.690 1.00 0.00 C ATOM 980 CE LYS A 64 5.890 3.296 11.540 1.00 0.00 C ATOM 981 NZ LYS A 64 7.133 3.348 10.722 1.00 0.00 N ATOM 0 H LYS A 64 1.920 2.322 11.323 1.00 0.00 H new ATOM 0 HA LYS A 64 1.420 3.957 13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.448 5.209 12.650 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.667 3.487 12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.754 3.851 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.014 5.036 10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.241 2.040 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.957 2.917 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.754 4.247 12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.992 2.529 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.946 3.551 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.277 2.432 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.046 4.097 10.005 1.00 0.00 H new ATOM 995 N THR A 65 0.457 5.218 10.687 1.00 0.00 N ATOM 996 CA THR A 65 -0.254 6.328 10.065 1.00 0.00 C ATOM 997 C THR A 65 -1.684 6.425 10.584 1.00 0.00 C ATOM 998 O THR A 65 -2.295 7.494 10.557 1.00 0.00 O ATOM 999 CB THR A 65 -0.285 6.187 8.532 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.047 6.237 8.008 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.124 7.290 7.904 1.00 0.00 C ATOM 0 H THR A 65 0.565 4.399 10.089 1.00 0.00 H new ATOM 0 HA THR A 65 0.287 7.237 10.328 1.00 0.00 H new ATOM 0 HB THR A 65 -0.735 5.225 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.507 5.394 8.203 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.131 7.170 6.821 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.145 7.231 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.698 8.261 8.158 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.214 5.302 11.057 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.573 5.260 11.584 1.00 0.00 C ATOM 1011 C LEU A 66 -3.577 4.836 13.050 1.00 0.00 C ATOM 1012 O LEU A 66 -4.231 3.862 13.422 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.431 4.297 10.761 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.951 4.835 9.427 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -3.882 4.720 8.352 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.213 4.094 9.009 1.00 0.00 C ATOM 0 H LEU A 66 -1.723 4.409 11.086 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.994 6.263 11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.846 3.398 10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.286 3.995 11.366 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.198 5.889 9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.270 5.108 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.005 5.296 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.603 3.674 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.569 4.490 8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.992 3.032 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.983 4.229 9.769 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.843 5.575 13.876 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.763 5.276 15.301 1.00 0.00 C ATOM 1030 C GLN A 67 -3.105 6.506 16.135 1.00 0.00 C ATOM 1031 O GLN A 67 -2.524 6.749 17.193 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.364 4.773 15.660 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.159 3.293 15.380 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.738 2.519 16.614 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.424 2.536 17.636 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.396 1.833 16.524 1.00 0.00 N ATOM 0 H GLN A 67 -2.296 6.384 13.583 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.490 4.495 15.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.626 5.346 15.099 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.179 4.963 16.717 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.084 2.870 14.988 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.401 3.175 14.606 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.933 1.847 15.657 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.730 1.292 17.322 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.069 7.301 15.650 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.510 8.520 16.336 1.00 0.00 C ATOM 1047 C PRO A 68 -5.270 8.218 17.623 1.00 0.00 C ATOM 1048 O PRO A 68 -4.986 8.794 18.673 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.433 9.188 15.314 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.928 8.070 14.463 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.805 7.073 14.395 1.00 0.00 C ATOM 0 HA PRO A 68 -3.669 9.142 16.642 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.257 9.707 15.804 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.897 9.929 14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.824 7.620 14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.195 8.426 13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.179 6.051 14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.173 7.239 13.523 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.238 7.311 17.534 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.038 6.932 18.693 1.00 0.00 C ATOM 1061 C VAL A 69 -7.583 5.516 18.544 1.00 0.00 C ATOM 1062 O VAL A 69 -8.788 5.316 18.391 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.215 7.903 18.904 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.726 9.212 19.507 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.944 8.151 17.592 1.00 0.00 C ATOM 0 H VAL A 69 -6.487 6.825 16.672 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.380 6.976 19.561 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.917 7.448 19.603 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.571 9.885 19.649 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.253 9.015 20.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.003 9.674 18.835 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.772 8.839 17.760 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.254 8.584 16.868 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.329 7.207 17.206 1.00 0.00 H new ATOM 1075 N SER A 70 -6.687 4.535 18.590 1.00 0.00 N ATOM 1076 CA SER A 70 -7.078 3.136 18.458 1.00 0.00 C ATOM 1077 C SER A 70 -8.160 2.776 19.470 1.00 0.00 C ATOM 1078 O SER A 70 -8.967 1.876 19.239 1.00 0.00 O ATOM 1079 CB SER A 70 -5.863 2.226 18.647 1.00 0.00 C ATOM 1080 OG SER A 70 -4.772 2.940 19.203 1.00 0.00 O ATOM 0 H SER A 70 -5.686 4.683 18.718 1.00 0.00 H new ATOM 0 HA SER A 70 -7.481 2.990 17.456 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.127 1.393 19.299 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.571 1.800 17.687 1.00 0.00 H new ATOM 0 HG SER A 70 -4.009 2.336 19.315 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.170 3.485 20.593 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.154 3.242 21.642 1.00 0.00 C ATOM 1088 C ASP A 71 -10.570 3.271 21.077 1.00 0.00 C ATOM 1089 O ASP A 71 -11.477 2.630 21.610 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.014 4.284 22.754 1.00 0.00 C ATOM 1091 CG ASP A 71 -9.006 3.659 24.135 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -9.618 2.583 24.303 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -8.388 4.246 25.047 1.00 0.00 O ATOM 0 H ASP A 71 -7.508 4.233 20.801 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.968 2.251 22.057 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.092 4.846 22.607 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.836 4.997 22.686 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.754 4.019 19.994 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.061 4.133 19.356 1.00 0.00 C ATOM 1100 C LEU A 72 -12.282 2.998 18.361 1.00 0.00 C ATOM 1101 O LEU A 72 -13.326 2.346 18.369 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.188 5.482 18.645 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.315 6.708 19.550 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.023 7.980 18.769 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -13.702 6.769 20.172 1.00 0.00 C ATOM 0 H LEU A 72 -10.015 4.555 19.540 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.824 4.065 20.132 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.316 5.616 18.005 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.060 5.445 17.992 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.582 6.622 20.352 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.118 8.842 19.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.009 7.938 18.371 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.732 8.073 17.946 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.775 7.648 20.813 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.452 6.832 19.383 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.874 5.871 20.766 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.292 2.767 17.507 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.376 1.709 16.506 1.00 0.00 C ATOM 1119 C LEU A 73 -11.764 0.381 17.149 1.00 0.00 C ATOM 1120 O LEU A 73 -12.677 -0.303 16.686 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.040 1.564 15.775 1.00 0.00 C ATOM 1122 CG LEU A 73 -9.355 2.867 15.363 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -8.153 2.582 14.477 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -10.339 3.785 14.651 1.00 0.00 C ATOM 0 H LEU A 73 -10.421 3.298 17.487 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.148 1.983 15.787 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.357 1.005 16.415 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.202 0.963 14.880 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.005 3.371 16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.679 3.522 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.438 1.964 15.021 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.479 2.056 13.580 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.834 4.708 14.365 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.720 3.288 13.759 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.168 4.017 15.319 1.00 0.00 H new ATOM 1136 N THR A 74 -11.064 0.022 18.221 1.00 0.00 N ATOM 1137 CA THR A 74 -11.335 -1.223 18.929 1.00 0.00 C ATOM 1138 C THR A 74 -12.754 -1.241 19.487 1.00 0.00 C ATOM 1139 O THR A 74 -13.331 -2.305 19.705 1.00 0.00 O ATOM 1140 CB THR A 74 -10.339 -1.441 20.084 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.176 -0.629 19.887 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.932 -2.904 20.178 1.00 0.00 C ATOM 0 H THR A 74 -10.305 0.576 18.618 1.00 0.00 H new ATOM 0 HA THR A 74 -11.222 -2.029 18.204 1.00 0.00 H new ATOM 0 HB THR A 74 -10.828 -1.155 21.015 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.404 0.312 20.042 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.229 -3.034 21.000 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.816 -3.517 20.356 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.460 -3.211 19.245 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.310 -0.055 19.714 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.663 0.065 20.246 1.00 0.00 C ATOM 1152 C ASN A 75 -15.698 -0.054 19.132 1.00 0.00 C ATOM 1153 O ASN A 75 -16.849 -0.417 19.377 1.00 0.00 O ATOM 1154 CB ASN A 75 -14.830 1.401 20.973 1.00 0.00 C ATOM 1155 CG ASN A 75 -16.283 1.825 21.075 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -17.139 1.050 21.503 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -16.567 3.061 20.681 1.00 0.00 N ATOM 0 H ASN A 75 -12.845 0.836 19.538 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.823 -0.749 20.954 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.406 1.323 21.974 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.265 2.171 20.447 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.527 3.403 20.726 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.825 3.669 20.333 1.00 0.00 H new ATOM 1164 N MET A 76 -15.281 0.252 17.908 1.00 0.00 N ATOM 1165 CA MET A 76 -16.172 0.178 16.756 1.00 0.00 C ATOM 1166 C MET A 76 -16.073 -1.186 16.080 1.00 0.00 C ATOM 1167 O MET A 76 -17.009 -1.629 15.415 1.00 0.00 O ATOM 1168 CB MET A 76 -15.837 1.283 15.753 1.00 0.00 C ATOM 1169 CG MET A 76 -15.930 2.683 16.337 1.00 0.00 C ATOM 1170 SD MET A 76 -15.661 3.970 15.103 1.00 0.00 S ATOM 1171 CE MET A 76 -13.872 4.049 15.081 1.00 0.00 C ATOM 0 H MET A 76 -14.332 0.554 17.688 1.00 0.00 H new ATOM 0 HA MET A 76 -17.194 0.316 17.109 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.828 1.123 15.373 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.514 1.207 14.902 1.00 0.00 H new ATOM 0 HG2 MET A 76 -16.912 2.819 16.790 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.194 2.790 17.134 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.555 5.010 14.675 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.490 3.940 16.096 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.480 3.245 14.458 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.933 -1.847 16.255 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.734 -3.154 15.655 1.00 0.00 C ATOM 1183 C GLY A 77 -13.441 -3.239 14.868 1.00 0.00 C ATOM 1184 O GLY A 77 -12.971 -4.332 14.551 1.00 0.00 O ATOM 0 H GLY A 77 -14.144 -1.501 16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.730 -3.913 16.437 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.572 -3.380 14.996 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.867 -2.084 14.550 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.621 -2.033 13.794 1.00 0.00 C ATOM 1190 C ILE A 78 -10.414 -2.182 14.713 1.00 0.00 C ATOM 1191 O ILE A 78 -10.151 -1.322 15.554 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.494 -0.716 13.007 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.617 -0.602 11.974 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.134 -0.633 12.330 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.687 0.752 11.304 1.00 0.00 C ATOM 0 H ILE A 78 -13.244 -1.171 14.804 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.644 -2.866 13.091 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.583 0.117 13.705 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.478 -1.369 11.212 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.570 -0.807 12.462 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.059 0.304 11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.349 -0.673 13.085 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.018 -1.470 11.642 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.506 0.760 10.585 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.858 1.522 12.056 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.748 0.951 10.787 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.682 -3.278 14.546 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.500 -3.539 15.359 1.00 0.00 C ATOM 1209 C ASP A 79 -7.243 -3.012 14.675 1.00 0.00 C ATOM 1210 O ASP A 79 -7.039 -3.223 13.479 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.359 -5.039 15.626 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.284 -5.359 17.106 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -9.344 -5.373 17.765 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.163 -5.594 17.606 1.00 0.00 O ATOM 0 H ASP A 79 -9.886 -4.000 13.855 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.621 -3.018 16.309 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.207 -5.565 15.186 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.462 -5.410 15.131 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.403 -2.324 15.441 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.165 -1.765 14.909 1.00 0.00 C ATOM 1221 C LEU A 80 -4.017 -2.760 15.040 1.00 0.00 C ATOM 1222 O LEU A 80 -3.086 -2.759 14.235 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.815 -0.466 15.636 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.314 0.681 14.758 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -2.962 0.338 14.153 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.325 0.998 13.666 1.00 0.00 C ATOM 0 H LEU A 80 -6.557 -2.140 16.432 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.317 -1.552 13.851 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.699 -0.125 16.175 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.052 -0.685 16.383 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.195 1.566 15.383 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.621 1.166 13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.240 0.162 14.951 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.054 -0.560 13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.952 1.817 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.476 0.116 13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.272 1.288 14.120 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.091 -3.609 16.060 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.059 -4.612 16.295 1.00 0.00 C ATOM 1240 C ASP A 81 -3.144 -5.731 15.262 1.00 0.00 C ATOM 1241 O ASP A 81 -2.159 -6.421 14.999 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.193 -5.191 17.705 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.966 -4.932 18.556 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.319 -3.881 18.361 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.653 -5.779 19.418 1.00 0.00 O ATOM 0 H ASP A 81 -4.854 -3.622 16.736 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.087 -4.128 16.200 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.067 -4.757 18.191 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.365 -6.265 17.639 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.326 -5.905 14.680 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.539 -6.942 13.678 1.00 0.00 C ATOM 1252 C GLU A 82 -4.009 -6.499 12.317 1.00 0.00 C ATOM 1253 O GLU A 82 -3.565 -7.321 11.515 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.027 -7.283 13.571 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.799 -6.355 12.649 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.298 -6.436 12.863 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.753 -7.389 13.529 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.017 -5.544 12.365 1.00 0.00 O ATOM 0 H GLU A 82 -5.151 -5.341 14.885 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.992 -7.831 13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.132 -8.307 13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.472 -7.246 14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.467 -5.329 12.811 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.569 -6.604 11.613 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.060 -5.197 12.064 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.586 -4.644 10.800 1.00 0.00 C ATOM 1267 C TRP A 83 -2.137 -5.043 10.541 1.00 0.00 C ATOM 1268 O TRP A 83 -1.758 -5.335 9.407 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.716 -3.120 10.805 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.107 -2.641 10.523 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.264 -3.354 10.665 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.488 -1.345 10.047 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.340 -2.578 10.306 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.891 -1.342 9.925 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.780 -0.187 9.715 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.597 -0.226 9.483 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.482 0.920 9.277 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.878 0.894 9.165 1.00 0.00 C ATOM 0 H TRP A 83 -4.425 -4.504 12.717 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.204 -5.051 9.999 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.398 -2.739 11.775 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.038 -2.702 10.061 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.324 -4.376 11.009 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.316 -2.875 10.321 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.704 -0.158 9.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.673 -0.244 9.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.945 1.820 9.017 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.398 1.776 8.821 1.00 0.00 H new ATOM 1289 N SER A 84 -1.333 -5.052 11.599 1.00 0.00 N ATOM 1290 CA SER A 84 0.076 -5.411 11.484 1.00 0.00 C ATOM 1291 C SER A 84 0.238 -6.913 11.269 1.00 0.00 C ATOM 1292 O SER A 84 1.234 -7.368 10.706 1.00 0.00 O ATOM 1293 CB SER A 84 0.838 -4.980 12.739 1.00 0.00 C ATOM 1294 OG SER A 84 0.734 -5.957 13.760 1.00 0.00 O ATOM 0 H SER A 84 -1.632 -4.815 12.545 1.00 0.00 H new ATOM 0 HA SER A 84 0.489 -4.891 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.887 -4.817 12.493 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.444 -4.030 13.099 1.00 0.00 H new ATOM 0 HG SER A 84 -0.198 -6.024 14.055 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.750 -7.679 11.720 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.720 -9.130 11.577 1.00 0.00 C ATOM 1302 C VAL A 85 -1.885 -9.623 10.727 1.00 0.00 C ATOM 1303 O VAL A 85 -2.483 -10.659 11.016 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.766 -9.831 12.948 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.425 -9.418 13.799 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.074 -9.521 13.660 1.00 0.00 C ATOM 0 H VAL A 85 -1.582 -7.319 12.188 1.00 0.00 H new ATOM 0 HA VAL A 85 0.218 -9.379 11.081 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.712 -10.908 12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.376 -9.923 14.764 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.349 -9.695 13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.405 -8.339 13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.090 -10.024 14.627 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.161 -8.445 13.809 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.910 -9.872 13.055 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.204 -8.872 9.677 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.297 -9.234 8.783 1.00 0.00 C ATOM 1318 C ALA A 86 -2.793 -9.448 7.360 1.00 0.00 C ATOM 1319 O ALA A 86 -1.637 -9.162 7.049 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.376 -8.162 8.808 1.00 0.00 C ATOM 0 H ALA A 86 -1.721 -8.010 9.425 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.726 -10.173 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.186 -8.445 8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.764 -8.060 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.952 -7.211 8.485 1.00 0.00 H new ATOM 1326 N THR A 87 -3.669 -9.955 6.497 1.00 0.00 N ATOM 1327 CA THR A 87 -3.313 -10.209 5.107 1.00 0.00 C ATOM 1328 C THR A 87 -3.722 -9.044 4.212 1.00 0.00 C ATOM 1329 O THR A 87 -4.839 -8.535 4.311 1.00 0.00 O ATOM 1330 CB THR A 87 -3.974 -11.499 4.585 1.00 0.00 C ATOM 1331 OG1 THR A 87 -3.468 -11.816 3.283 1.00 0.00 O ATOM 1332 CG2 THR A 87 -5.486 -11.346 4.523 1.00 0.00 C ATOM 0 H THR A 87 -4.630 -10.198 6.737 1.00 0.00 H new ATOM 0 HA THR A 87 -2.230 -10.325 5.075 1.00 0.00 H new ATOM 0 HB THR A 87 -3.735 -12.308 5.275 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.203 -12.124 2.713 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.930 -12.269 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.871 -11.133 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.741 -10.525 3.853 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.812 -8.627 3.339 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.078 -7.521 2.427 1.00 0.00 C ATOM 1342 C PHE A 88 -2.981 -7.979 0.974 1.00 0.00 C ATOM 1343 O PHE A 88 -1.895 -8.017 0.395 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.096 -6.376 2.679 1.00 0.00 C ATOM 1345 CG PHE A 88 -2.597 -5.363 3.668 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.090 -5.762 4.900 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -2.576 -4.010 3.366 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -3.552 -4.833 5.812 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.036 -3.076 4.275 1.00 0.00 C ATOM 1350 CZ PHE A 88 -3.526 -3.488 5.499 1.00 0.00 C ATOM 0 H PHE A 88 -1.883 -9.038 3.244 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.092 -7.167 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.154 -6.789 3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.884 -5.875 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.113 -6.812 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.196 -3.682 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.933 -5.158 6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.012 -2.025 4.028 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.888 -2.760 6.210 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.123 -8.326 0.392 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.167 -8.784 -0.991 1.00 0.00 C ATOM 1362 C TYR A 89 -4.274 -7.604 -1.953 1.00 0.00 C ATOM 1363 O TYR A 89 -5.335 -6.992 -2.088 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.348 -9.734 -1.198 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.226 -11.029 -0.428 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.328 -12.013 -0.822 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.009 -11.268 0.695 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.213 -13.198 -0.121 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -5.900 -12.450 1.403 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.001 -13.411 0.991 1.00 0.00 C ATOM 1371 OH TYR A 89 -4.890 -14.590 1.692 1.00 0.00 O ATOM 0 H TYR A 89 -5.031 -8.299 0.856 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.239 -9.317 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.266 -9.229 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.440 -9.960 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.709 -11.849 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.714 -10.518 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.510 -13.953 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.515 -12.620 2.274 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.514 -14.581 2.448 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.169 -7.292 -2.620 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.137 -6.186 -3.571 1.00 0.00 C ATOM 1383 C LEU A 90 -3.737 -6.601 -4.910 1.00 0.00 C ATOM 1384 O LEU A 90 -3.168 -7.422 -5.629 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.699 -5.702 -3.771 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.042 -5.033 -2.564 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.963 -3.979 -1.970 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.671 -6.072 -1.515 1.00 0.00 C ATOM 0 H LEU A 90 -2.284 -7.789 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.735 -5.371 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.088 -6.555 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.686 -4.998 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.129 -4.541 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.478 -3.514 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.178 -3.219 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.894 -4.448 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.204 -5.578 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.570 -6.593 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.027 -6.790 -1.945 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.889 -6.027 -5.240 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.566 -6.337 -6.494 1.00 0.00 C ATOM 1402 C PHE A 91 -5.320 -5.243 -7.530 1.00 0.00 C ATOM 1403 O PHE A 91 -4.740 -4.201 -7.222 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.069 -6.503 -6.259 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.521 -7.935 -6.263 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.845 -8.891 -5.522 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -8.622 -8.326 -7.009 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.259 -10.210 -5.523 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -9.040 -9.643 -7.013 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.357 -10.586 -6.271 1.00 0.00 C ATOM 0 H PHE A 91 -5.373 -5.345 -4.657 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.159 -7.273 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.331 -6.050 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.612 -5.957 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.984 -8.602 -4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.159 -7.593 -7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.724 -10.945 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.901 -9.935 -7.596 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.681 -11.616 -6.276 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.764 -5.489 -8.757 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.593 -4.526 -9.839 1.00 0.00 C ATOM 1422 C ASP A 92 -6.944 -4.019 -10.334 1.00 0.00 C ATOM 1423 O ASP A 92 -7.969 -4.216 -9.682 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.816 -5.158 -10.995 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.645 -4.306 -11.441 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.763 -4.025 -10.603 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.610 -3.918 -12.628 1.00 0.00 O ATOM 0 H ASP A 92 -6.245 -6.347 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.027 -3.679 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.452 -6.139 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.489 -5.315 -11.838 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.937 -3.365 -11.490 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.162 -2.830 -12.073 1.00 0.00 C ATOM 1434 C ASP A 93 -8.905 -3.906 -12.859 1.00 0.00 C ATOM 1435 O ASP A 93 -9.989 -3.664 -13.388 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.842 -1.644 -12.985 1.00 0.00 C ATOM 1437 CG ASP A 93 -6.765 -0.745 -12.410 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -7.092 0.094 -11.544 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -5.595 -0.881 -12.824 1.00 0.00 O ATOM 0 H ASP A 93 -6.097 -3.192 -12.042 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.804 -2.491 -11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.520 -2.014 -13.958 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.748 -1.061 -13.149 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.313 -5.093 -12.932 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.919 -6.206 -13.652 1.00 0.00 C ATOM 1446 C ALA A 94 -9.442 -7.265 -12.687 1.00 0.00 C ATOM 1447 O ALA A 94 -10.286 -8.084 -13.047 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.916 -6.819 -14.618 1.00 0.00 C ATOM 0 H ALA A 94 -7.414 -5.309 -12.501 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.765 -5.820 -14.220 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.382 -7.649 -15.149 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.594 -6.064 -15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.052 -7.183 -14.063 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.933 -7.242 -11.459 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.360 -8.206 -10.462 1.00 0.00 C ATOM 1456 C GLY A 95 -8.317 -9.275 -10.204 1.00 0.00 C ATOM 1457 O GLY A 95 -8.647 -10.385 -9.787 1.00 0.00 O ATOM 0 H GLY A 95 -8.233 -6.573 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.581 -7.686 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.286 -8.678 -10.791 1.00 0.00 H new ATOM 1461 N GLU A 96 -7.055 -8.942 -10.456 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.961 -9.884 -10.252 1.00 0.00 C ATOM 1463 C GLU A 96 -4.902 -9.294 -9.324 1.00 0.00 C ATOM 1464 O GLU A 96 -4.961 -8.118 -8.967 1.00 0.00 O ATOM 1465 CB GLU A 96 -5.327 -10.262 -11.592 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.631 -9.103 -12.285 1.00 0.00 C ATOM 1467 CD GLU A 96 -5.591 -8.232 -13.071 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -6.227 -7.348 -12.459 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -5.707 -8.434 -14.298 1.00 0.00 O ATOM 0 H GLU A 96 -6.765 -8.027 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.369 -10.781 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.606 -11.063 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.100 -10.657 -12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.120 -8.493 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.866 -9.493 -12.957 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.936 -10.122 -8.937 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.865 -9.683 -8.050 1.00 0.00 C ATOM 1478 C GLU A 97 -1.739 -9.024 -8.841 1.00 0.00 C ATOM 1479 O GLU A 97 -0.727 -9.656 -9.144 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.318 -10.867 -7.251 1.00 0.00 C ATOM 1481 CG GLU A 97 -1.831 -10.491 -5.861 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.374 -11.410 -4.785 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -1.797 -12.501 -4.591 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -3.375 -11.040 -4.136 1.00 0.00 O ATOM 0 H GLU A 97 -3.873 -11.099 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.278 -8.948 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.097 -11.625 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.495 -11.319 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.742 -10.519 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.127 -9.465 -5.641 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.923 -7.751 -9.174 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.923 -7.006 -9.931 1.00 0.00 C ATOM 1493 C ASN A 98 -0.466 -5.771 -9.161 1.00 0.00 C ATOM 1494 O ASN A 98 -1.168 -5.285 -8.273 1.00 0.00 O ATOM 1495 CB ASN A 98 -1.487 -6.593 -11.292 1.00 0.00 C ATOM 1496 CG ASN A 98 -1.142 -7.584 -12.386 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -0.400 -7.266 -13.316 1.00 0.00 O ATOM 1498 ND2 ASN A 98 -1.680 -8.794 -12.280 1.00 0.00 N ATOM 0 H ASN A 98 -2.755 -7.213 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.061 -7.656 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.570 -6.499 -11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.099 -5.610 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.484 -9.503 -12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.289 -9.014 -11.492 1.00 0.00 H new ATOM 1505 N PHE A 99 0.714 -5.267 -9.507 1.00 0.00 N ATOM 1506 CA PHE A 99 1.265 -4.089 -8.848 1.00 0.00 C ATOM 1507 C PHE A 99 1.506 -2.967 -9.854 1.00 0.00 C ATOM 1508 O PHE A 99 2.630 -2.490 -10.010 1.00 0.00 O ATOM 1509 CB PHE A 99 2.573 -4.441 -8.137 1.00 0.00 C ATOM 1510 CG PHE A 99 3.502 -5.277 -8.970 1.00 0.00 C ATOM 1511 CD1 PHE A 99 3.380 -6.657 -8.994 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.498 -4.683 -9.728 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.233 -7.429 -9.760 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.354 -5.450 -10.496 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.222 -6.825 -10.511 1.00 0.00 C ATOM 0 H PHE A 99 1.307 -5.656 -10.240 1.00 0.00 H new ATOM 0 HA PHE A 99 0.541 -3.743 -8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.082 -3.520 -7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.344 -4.976 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.609 -7.135 -8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.607 -3.609 -9.719 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.126 -8.504 -9.771 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.125 -4.975 -11.084 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.891 -7.426 -11.109 1.00 0.00 H new ATOM 1525 N SER A 100 0.442 -2.550 -10.533 1.00 0.00 N ATOM 1526 CA SER A 100 0.538 -1.488 -11.527 1.00 0.00 C ATOM 1527 C SER A 100 0.565 -0.118 -10.856 1.00 0.00 C ATOM 1528 O SER A 100 0.709 -0.013 -9.638 1.00 0.00 O ATOM 1529 CB SER A 100 -0.638 -1.566 -12.503 1.00 0.00 C ATOM 1530 OG SER A 100 -0.398 -0.776 -13.655 1.00 0.00 O ATOM 0 H SER A 100 -0.496 -2.932 -10.413 1.00 0.00 H new ATOM 0 HA SER A 100 1.469 -1.623 -12.078 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.803 -2.603 -12.797 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.548 -1.227 -12.009 1.00 0.00 H new ATOM 0 HG SER A 100 -1.163 -0.844 -14.264 1.00 0.00 H new ATOM 1536 N SER A 101 0.427 0.931 -11.661 1.00 0.00 N ATOM 1537 CA SER A 101 0.440 2.296 -11.147 1.00 0.00 C ATOM 1538 C SER A 101 -0.557 2.455 -10.003 1.00 0.00 C ATOM 1539 O SER A 101 -0.369 3.283 -9.112 1.00 0.00 O ATOM 1540 CB SER A 101 0.113 3.287 -12.266 1.00 0.00 C ATOM 1541 OG SER A 101 1.284 3.934 -12.732 1.00 0.00 O ATOM 0 H SER A 101 0.305 0.862 -12.671 1.00 0.00 H new ATOM 0 HA SER A 101 1.439 2.506 -10.766 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.369 2.763 -13.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.597 4.030 -11.902 1.00 0.00 H new ATOM 0 HG SER A 101 1.049 4.561 -13.448 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.619 1.656 -10.036 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.647 1.708 -9.004 1.00 0.00 C ATOM 1549 C ARG A 102 -3.138 0.306 -8.654 1.00 0.00 C ATOM 1550 O ARG A 102 -3.634 -0.421 -9.514 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.822 2.571 -9.467 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.927 2.703 -8.432 1.00 0.00 C ATOM 1553 CD ARG A 102 -4.682 3.882 -7.504 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.048 5.152 -8.124 1.00 0.00 N ATOM 1555 CZ ARG A 102 -6.303 5.551 -8.296 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -7.307 4.784 -7.896 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -6.556 6.721 -8.869 1.00 0.00 N ATOM 0 H ARG A 102 -1.790 0.965 -10.767 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.208 2.154 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.454 3.565 -9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.239 2.143 -10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.886 2.828 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.991 1.785 -7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.256 3.747 -6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.630 3.907 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.299 5.767 -8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.117 3.884 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.270 5.093 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.786 7.315 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.520 7.026 -9.001 1.00 0.00 H new ATOM 1571 N MET A 103 -2.995 -0.066 -7.386 1.00 0.00 N ATOM 1572 CA MET A 103 -3.424 -1.380 -6.923 1.00 0.00 C ATOM 1573 C MET A 103 -4.379 -1.254 -5.739 1.00 0.00 C ATOM 1574 O MET A 103 -4.112 -0.516 -4.791 1.00 0.00 O ATOM 1575 CB MET A 103 -2.213 -2.226 -6.528 1.00 0.00 C ATOM 1576 CG MET A 103 -1.500 -1.724 -5.282 1.00 0.00 C ATOM 1577 SD MET A 103 0.010 -2.642 -4.928 1.00 0.00 S ATOM 1578 CE MET A 103 0.924 -1.435 -3.971 1.00 0.00 C ATOM 0 H MET A 103 -2.586 0.524 -6.662 1.00 0.00 H new ATOM 0 HA MET A 103 -3.950 -1.872 -7.741 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.537 -3.254 -6.362 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.507 -2.244 -7.358 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.258 -0.669 -5.407 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.174 -1.797 -4.428 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.993 -1.574 -4.136 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.636 -0.431 -4.282 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.700 -1.565 -2.912 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.490 -1.978 -5.802 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.485 -1.945 -4.737 1.00 0.00 C ATOM 1590 C TYR A 104 -6.053 -2.815 -3.560 1.00 0.00 C ATOM 1591 O TYR A 104 -5.277 -3.758 -3.723 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.842 -2.417 -5.263 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.452 -1.485 -6.285 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.612 -0.132 -6.013 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.868 -1.958 -7.524 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.170 0.723 -6.945 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.425 -1.110 -8.462 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.574 0.229 -8.167 1.00 0.00 C ATOM 1599 OH TYR A 104 -10.129 1.077 -9.098 1.00 0.00 O ATOM 0 H TYR A 104 -5.725 -2.595 -6.579 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.575 -0.915 -4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.726 -3.405 -5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.530 -2.524 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.295 0.258 -5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.754 -3.006 -7.758 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.289 1.772 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.742 -1.493 -9.421 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.358 0.571 -9.905 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.561 -2.492 -2.376 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.228 -3.243 -1.171 1.00 0.00 C ATOM 1611 C CYS A 105 -7.438 -4.022 -0.665 1.00 0.00 C ATOM 1612 O CYS A 105 -8.291 -3.477 0.036 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.722 -2.298 -0.080 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.778 -0.857 0.197 1.00 0.00 S ATOM 0 H CYS A 105 -7.205 -1.715 -2.225 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.440 -3.953 -1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.632 -2.853 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.722 -1.956 -0.346 1.00 0.00 H new ATOM 0 HG CYS A 105 -8.021 -1.234 0.252 1.00 0.00 H new ATOM 1620 N SER A 106 -7.505 -5.300 -1.025 1.00 0.00 N ATOM 1621 CA SER A 106 -8.613 -6.153 -0.613 1.00 0.00 C ATOM 1622 C SER A 106 -8.189 -7.085 0.518 1.00 0.00 C ATOM 1623 O SER A 106 -7.077 -7.615 0.518 1.00 0.00 O ATOM 1624 CB SER A 106 -9.123 -6.972 -1.800 1.00 0.00 C ATOM 1625 OG SER A 106 -8.131 -7.087 -2.804 1.00 0.00 O ATOM 0 H SER A 106 -6.805 -5.767 -1.601 1.00 0.00 H new ATOM 0 HA SER A 106 -9.417 -5.513 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.418 -7.965 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.013 -6.500 -2.216 1.00 0.00 H new ATOM 0 HG SER A 106 -8.481 -7.616 -3.551 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.082 -7.280 1.482 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.802 -8.147 2.621 1.00 0.00 C ATOM 1633 C PHE A 107 -9.011 -9.613 2.253 1.00 0.00 C ATOM 1634 O PHE A 107 -8.272 -10.489 2.702 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.695 -7.774 3.806 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.158 -7.993 3.546 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.753 -9.209 3.842 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.938 -6.984 3.004 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.099 -9.414 3.605 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -13.284 -7.183 2.764 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.866 -8.400 3.064 1.00 0.00 C ATOM 0 H PHE A 107 -10.006 -6.849 1.498 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.759 -8.007 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.397 -8.361 4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.532 -6.726 4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.158 -10.006 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.489 -6.031 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.551 -10.366 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.881 -6.388 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.918 -8.558 2.876 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.024 -9.872 1.434 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.334 -11.231 1.007 1.00 0.00 C ATOM 1653 C TYR A 108 -9.263 -11.763 0.060 1.00 0.00 C ATOM 1654 O TYR A 108 -8.574 -11.007 -0.626 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.702 -11.274 0.324 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.742 -10.539 -0.997 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.868 -9.156 -1.041 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.655 -11.227 -2.201 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.906 -8.480 -2.245 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.691 -10.559 -3.410 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.817 -9.186 -3.426 1.00 0.00 C ATOM 1662 OH TYR A 108 -11.854 -8.517 -4.628 1.00 0.00 O ATOM 0 H TYR A 108 -10.645 -9.158 1.052 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.357 -11.866 1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.985 -12.314 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.447 -10.843 0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.937 -8.600 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.558 -12.303 -2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.005 -7.405 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.621 -11.109 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.779 -9.161 -5.363 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.118 -13.096 0.020 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.134 -13.760 -0.839 1.00 0.00 C ATOM 1674 C PRO A 109 -8.492 -13.657 -2.318 1.00 0.00 C ATOM 1675 O PRO A 109 -9.603 -13.274 -2.687 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.187 -15.218 -0.377 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.550 -15.384 0.200 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.905 -14.057 0.811 1.00 0.00 C ATOM 0 HA PRO A 109 -7.146 -13.307 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.023 -15.903 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.415 -15.427 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.269 -15.664 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.563 -16.175 0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.974 -13.855 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.642 -14.018 1.868 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.531 -14.005 -3.186 1.00 0.00 N ATOM 1687 CA PRO A 110 -7.723 -13.961 -4.639 1.00 0.00 C ATOM 1688 C PRO A 110 -8.691 -15.033 -5.129 1.00 0.00 C ATOM 1689 O PRO A 110 -9.611 -14.747 -5.895 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.318 -14.217 -5.190 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.623 -14.980 -4.115 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.184 -14.470 -2.816 1.00 0.00 C ATOM 0 HA PRO A 110 -8.158 -13.016 -4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.355 -14.786 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.802 -13.282 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.797 -16.051 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.545 -14.826 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.223 -15.254 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.578 -13.662 -2.406 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.477 -16.265 -4.682 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.332 -17.380 -5.074 1.00 0.00 C ATOM 1702 C ASP A 111 -8.865 -18.678 -4.423 1.00 0.00 C ATOM 1703 O ASP A 111 -9.676 -19.539 -4.084 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.341 -17.533 -6.596 1.00 0.00 C ATOM 1705 CG ASP A 111 -10.707 -17.266 -7.197 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -11.449 -16.433 -6.637 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.033 -17.891 -8.227 1.00 0.00 O ATOM 0 H ASP A 111 -7.719 -16.517 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.345 -17.167 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.615 -16.846 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.023 -18.542 -6.859 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.554 -18.811 -4.252 1.00 0.00 N ATOM 1713 CA GLU A 112 -6.980 -20.005 -3.643 1.00 0.00 C ATOM 1714 C GLU A 112 -7.657 -20.315 -2.311 1.00 0.00 C ATOM 1715 O GLU A 112 -7.780 -19.445 -1.450 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.475 -19.825 -3.433 1.00 0.00 C ATOM 1717 CG GLU A 112 -4.629 -20.829 -4.199 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.110 -20.273 -5.511 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -4.766 -19.375 -6.077 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.045 -20.738 -5.971 1.00 0.00 O ATOM 0 H GLU A 112 -6.869 -18.107 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.147 -20.843 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.192 -18.817 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.252 -19.911 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.786 -21.136 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.221 -21.722 -4.396 1.00 0.00 H new TER 1727 GLU A 112 END