USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 hets) HEADER PHOSPHORIC DIESTER HYDROLASE 19-AUG-94 2PLD TITLE NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 DOMAIN OF TITLE 2 PHOSPHOLIPASE C-GAMMA1 COMPLEXED WITH A HIGH AFFINITY TITLE 3 BINDING PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHOLIPASE C GAMMA-1, C-TERMINAL SH2 DOMAIN; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.4.11; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: PHOSPHOPEPTIDE FROM PDGF; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 7 ORGANISM_COMMON: CATTLE; SOURCE 8 ORGANISM_TAXID: 9913 KEYWDS PHOSPHORIC DIESTER HYDROLASE EXPDTA SOLUTION NMR AUTHOR S.M.PASCAL,A.U.SINGER,G.GISH,T.YAMAZAKI,S.E.SHOELSON, AUTHOR 2 T.PAWSON,L.E.KAY,J.D.FORMAN-KAY REVDAT 2 24-FEB-09 2PLD 1 VERSN REVDAT 1 26-JAN-95 2PLD 0 JRNL AUTH S.M.PASCAL,A.U.SINGER,G.GISH,T.YAMAZAKI, JRNL AUTH 2 S.E.SHOELSON,T.PAWSON,L.E.KAY,J.D.FORMAN-KAY JRNL TITL NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 JRNL TITL 2 DOMAIN OF PHOSPHOLIPASE C-GAMMA 1 COMPLEXED WITH A JRNL TITL 3 HIGH AFFINITY BINDING PEPTIDE. JRNL REF CELL(CAMBRIDGE,MASS.) V. 77 461 1994 JRNL REFN ISSN 0092-8674 JRNL PMID 8181064 JRNL DOI 10.1016/0092-8674(94)90160-0 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2PLD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 6 -142.09 -178.11 REMARK 500 GLU A 7 -125.21 49.03 REMARK 500 SER A 8 -144.79 47.61 REMARK 500 LYS A 9 -168.47 -171.89 REMARK 500 GLU A 10 11.93 49.75 REMARK 500 ARG A 30 164.59 177.83 REMARK 500 ALA A 33 121.55 -170.20 REMARK 500 ARG A 39 -166.10 -74.52 REMARK 500 ASN A 40 31.64 -92.14 REMARK 500 PRO A 42 24.43 -77.83 REMARK 500 SER A 44 144.81 166.75 REMARK 500 GLU A 52 -118.08 61.95 REMARK 500 THR A 66 -157.20 -152.40 REMARK 500 TYR A 90 -163.14 -110.25 REMARK 500 ARG A 91 25.23 -77.67 REMARK 500 LYS A 92 -43.22 -178.66 REMARK 500 LEU A 95 42.90 -99.07 REMARK 500 PRO A 98 -140.10 -77.68 REMARK 500 GLU A 101 173.71 171.94 REMARK 500 SER A 104 -77.70 -82.80 REMARK 500 ASP B 10 142.89 69.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 18 0.31 SIDE_CHAIN REMARK 500 ARG A 27 0.31 SIDE_CHAIN REMARK 500 ARG A 30 0.17 SIDE_CHAIN REMARK 500 ARG A 39 0.23 SIDE_CHAIN REMARK 500 ARG A 50 0.31 SIDE_CHAIN REMARK 500 ARG A 59 0.28 SIDE_CHAIN REMARK 500 ARG A 91 0.21 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2PLE RELATED DB: PDB DBREF 2PLD A 6 102 UNP P08487 PLCG1_BOVIN 663 759 DBREF 2PLD B 1 12 UNP P09619 PGDR_HUMAN 1018 1029 SEQRES 1 A 105 GLY SER PRO GLY ILE HIS GLU SER LYS GLU TRP TYR HIS SEQRES 2 A 105 ALA SER LEU THR ARG ALA GLN ALA GLU HIS MET LEU MET SEQRES 3 A 105 ARG VAL PRO ARG ASP GLY ALA PHE LEU VAL ARG LYS ARG SEQRES 4 A 105 ASN GLU PRO ASN SER TYR ALA ILE SER PHE ARG ALA GLU SEQRES 5 A 105 GLY LYS ILE LYS HIS CYS ARG VAL GLN GLN GLU GLY GLN SEQRES 6 A 105 THR VAL MET LEU GLY ASN SER GLU PHE ASP SER LEU VAL SEQRES 7 A 105 ASP LEU ILE SER TYR TYR GLU LYS HIS PRO LEU TYR ARG SEQRES 8 A 105 LYS MET LYS LEU ARG TYR PRO ILE ASN GLU GLU ASN SER SEQRES 9 A 105 SER SEQRES 1 B 12 ASP ASN ASP PTR ILE ILE PRO LEU PRO ASP PRO LYS MODRES 2PLD PTR B 4 TYR O-PHOSPHOTYROSINE HET PTR B 4 24 HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 PTR C9 H12 N O6 P HELIX 1 A THR A 17 VAL A 28 1 12 HELIX 2 B LEU A 77 HIS A 87 1SL.IRR., BIFURCATED H-BONDS 11 SHEET 1 S1 4 TRP A 11 HIS A 13 0 SHEET 2 S1 4 PHE A 34 LYS A 38 1 O VAL A 36 N HIS A 13 SHEET 3 S1 4 TYR A 45 ALA A 51 -1 O SER A 48 N LEU A 35 SHEET 4 S1 4 LYS A 54 VAL A 60 -1 O CYS A 58 N ILE A 47 SHEET 1 ASC 3 GLN A 61 GLU A 63 0 SHEET 2 ASC 3 THR A 66 LEU A 69 -1 O MET A 68 N GLN A 61 SHEET 3 ASC 3 SER A 72 PHE A 74 -1 N PHE A 74 O VAL A 67 LINK C ASP B 3 N PTR B 4 1555 1555 1.31 LINK C PTR B 4 N ILE B 5 1555 1555 1.31 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 45 TYR OH : rot 75:sc= 0.697 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.664 K(o=1.4,f=-4) USER MOD Set 2.1: A 17 THR OG1 : rot -130:sc= -2.89 USER MOD Set 2.2: A 20 GLN : amide:sc= 0 K(o=-2.9,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0 (180deg=-0.131) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.31) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00123 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.739 USER MOD Single : A 23 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.0057) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 0.536 (180deg=0.173) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 43 ASN : amide:sc= -0.736 K(o=-0.74,f=-3.2!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.13 USER MOD Single : A 48 SER OG : rot 30:sc= -0.996! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-1.6) USER MOD Single : A 58 CYS SG : rot 80:sc= -5.58! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.472 K(o=-0.47,f=-1) USER MOD Single : A 72 SER OG : rot 38:sc= 0.12 USER MOD Single : A 76 SER OG : rot 180:sc= -0.171 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -30:sc= -4.03! USER MOD Single : A 86 LYS NZ :NH3+ 155:sc= -0.308 (180deg=-1.61!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0964 K(o=-0.096,f=-0.73) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= -0.103 (180deg=-0.768) USER MOD Single : A 93 MET CE :methyl -154:sc= -2.52! (180deg=-4.12!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.0066) USER MOD Single : A 104 SER OG : rot -69:sc= 0.757 USER MOD Single : A 105 SER OG : rot -69:sc= 1.02 USER MOD Single : B 1 ASP N :NH3+ -163:sc= 0.0574 (180deg=-0.104) USER MOD Single : B 2 ASN : amide:sc= -1.02 X(o=-1,f=-0.58) USER MOD Single : B 12 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.566 20.574 6.725 1.00 11.64 N ATOM 2 CA GLY A 1 -16.198 21.263 5.459 1.00 11.03 C ATOM 3 C GLY A 1 -16.022 20.227 4.354 1.00 10.19 C ATOM 4 O GLY A 1 -16.977 19.842 3.704 1.00 10.03 O ATOM 0 H1 GLY A 1 -16.835 21.280 7.439 1.00 11.64 H new ATOM 0 H2 GLY A 1 -17.367 19.934 6.552 1.00 11.64 H new ATOM 0 H3 GLY A 1 -15.753 20.025 7.070 1.00 11.64 H new ATOM 0 HA2 GLY A 1 -16.972 21.978 5.183 1.00 11.03 H new ATOM 0 HA3 GLY A 1 -15.276 21.828 5.594 1.00 11.03 H new ATOM 10 N SER A 2 -14.818 19.762 4.142 1.00 9.85 N ATOM 11 CA SER A 2 -14.592 18.739 3.082 1.00 9.25 C ATOM 12 C SER A 2 -13.678 17.612 3.583 1.00 8.35 C ATOM 13 O SER A 2 -12.689 17.303 2.947 1.00 8.06 O ATOM 14 CB SER A 2 -13.952 19.404 1.860 1.00 9.58 C ATOM 15 OG SER A 2 -14.864 20.340 1.307 1.00 9.99 O ATOM 0 H SER A 2 -13.984 20.047 4.656 1.00 9.85 H new ATOM 0 HA SER A 2 -15.556 18.307 2.814 1.00 9.25 H new ATOM 0 HB2 SER A 2 -13.027 19.905 2.146 1.00 9.58 H new ATOM 0 HB3 SER A 2 -13.690 18.651 1.117 1.00 9.58 H new ATOM 0 HG SER A 2 -14.458 20.770 0.525 1.00 9.99 H new ATOM 21 N PRO A 3 -14.053 16.986 4.679 1.00 8.16 N ATOM 22 CA PRO A 3 -13.336 15.835 5.275 1.00 7.53 C ATOM 23 C PRO A 3 -13.858 14.620 4.560 1.00 7.07 C ATOM 24 O PRO A 3 -14.599 14.736 3.606 1.00 7.45 O ATOM 25 CB PRO A 3 -13.762 15.772 6.734 1.00 7.99 C ATOM 26 CG PRO A 3 -15.132 16.453 6.789 1.00 8.74 C ATOM 27 CD PRO A 3 -15.252 17.308 5.514 1.00 8.85 C ATOM 0 HA PRO A 3 -12.251 15.906 5.196 1.00 7.53 H new ATOM 0 HB2 PRO A 3 -13.822 14.741 7.081 1.00 7.99 H new ATOM 0 HB3 PRO A 3 -13.044 16.283 7.375 1.00 7.99 H new ATOM 0 HG2 PRO A 3 -15.931 15.713 6.835 1.00 8.74 H new ATOM 0 HG3 PRO A 3 -15.220 17.073 7.681 1.00 8.74 H new ATOM 0 HD2 PRO A 3 -16.173 17.079 4.977 1.00 8.85 H new ATOM 0 HD3 PRO A 3 -15.282 18.370 5.759 1.00 8.85 H new ATOM 35 N GLY A 4 -13.536 13.457 4.996 1.00 6.52 N ATOM 36 CA GLY A 4 -14.118 12.299 4.278 1.00 6.32 C ATOM 37 C GLY A 4 -13.445 10.974 4.616 1.00 5.68 C ATOM 38 O GLY A 4 -12.473 10.893 5.342 1.00 5.92 O ATOM 0 H GLY A 4 -12.922 13.251 5.784 1.00 6.52 H new ATOM 0 HA2 GLY A 4 -15.179 12.230 4.516 1.00 6.32 H new ATOM 0 HA3 GLY A 4 -14.043 12.472 3.204 1.00 6.32 H new ATOM 42 N ILE A 5 -13.965 9.944 4.010 1.00 5.20 N ATOM 43 CA ILE A 5 -13.432 8.576 4.146 1.00 4.93 C ATOM 44 C ILE A 5 -12.773 8.291 2.789 1.00 4.29 C ATOM 45 O ILE A 5 -12.885 7.227 2.215 1.00 4.37 O ATOM 46 CB ILE A 5 -14.617 7.635 4.399 1.00 5.35 C ATOM 47 CG1 ILE A 5 -15.559 8.263 5.444 1.00 6.06 C ATOM 48 CG2 ILE A 5 -14.126 6.285 4.917 1.00 5.51 C ATOM 49 CD1 ILE A 5 -16.571 9.197 4.763 1.00 6.93 C ATOM 0 H ILE A 5 -14.778 10.008 3.398 1.00 5.20 H new ATOM 0 HA ILE A 5 -12.722 8.446 4.963 1.00 4.93 H new ATOM 0 HB ILE A 5 -15.149 7.484 3.460 1.00 5.35 H new ATOM 0 HG12 ILE A 5 -16.087 7.478 5.985 1.00 6.06 H new ATOM 0 HG13 ILE A 5 -14.977 8.820 6.178 1.00 6.06 H new ATOM 0 HG21 ILE A 5 -14.980 5.630 5.091 1.00 5.51 H new ATOM 0 HG22 ILE A 5 -13.465 5.831 4.179 1.00 5.51 H new ATOM 0 HG23 ILE A 5 -13.583 6.429 5.851 1.00 5.51 H new ATOM 0 HD11 ILE A 5 -17.228 9.632 5.516 1.00 6.93 H new ATOM 0 HD12 ILE A 5 -16.038 9.993 4.243 1.00 6.93 H new ATOM 0 HD13 ILE A 5 -17.165 8.630 4.047 1.00 6.93 H new ATOM 61 N HIS A 6 -12.138 9.314 2.277 1.00 4.11 N ATOM 62 CA HIS A 6 -11.481 9.301 0.950 1.00 3.88 C ATOM 63 C HIS A 6 -10.847 10.696 0.833 1.00 3.83 C ATOM 64 O HIS A 6 -10.406 11.233 1.829 1.00 4.14 O ATOM 65 CB HIS A 6 -12.568 9.112 -0.115 1.00 4.23 C ATOM 66 CG HIS A 6 -12.005 8.507 -1.368 1.00 4.83 C ATOM 67 ND1 HIS A 6 -12.717 8.503 -2.557 1.00 5.35 N ATOM 68 CD2 HIS A 6 -10.820 7.873 -1.637 1.00 5.45 C ATOM 69 CE1 HIS A 6 -11.963 7.884 -3.480 1.00 6.13 C ATOM 70 NE2 HIS A 6 -10.794 7.479 -2.973 1.00 6.22 N ATOM 0 H HIS A 6 -12.049 10.207 2.762 1.00 4.11 H new ATOM 0 HA HIS A 6 -10.742 8.509 0.825 1.00 3.88 H new ATOM 0 HB2 HIS A 6 -13.357 8.471 0.278 1.00 4.23 H new ATOM 0 HB3 HIS A 6 -13.024 10.074 -0.347 1.00 4.23 H new ATOM 0 HD2 HIS A 6 -10.028 7.705 -0.923 1.00 5.45 H new ATOM 0 HE1 HIS A 6 -12.264 7.732 -4.506 1.00 6.13 H new ATOM 0 HE2 HIS A 6 -10.044 6.987 -3.460 1.00 6.22 H new ATOM 78 N GLU A 7 -10.847 11.320 -0.326 1.00 3.93 N ATOM 79 CA GLU A 7 -10.284 12.716 -0.413 1.00 4.22 C ATOM 80 C GLU A 7 -8.885 12.774 0.269 1.00 3.80 C ATOM 81 O GLU A 7 -8.012 11.996 -0.064 1.00 3.91 O ATOM 82 CB GLU A 7 -11.297 13.655 0.269 1.00 4.96 C ATOM 83 CG GLU A 7 -12.721 13.247 -0.119 1.00 5.54 C ATOM 84 CD GLU A 7 -12.833 13.104 -1.637 1.00 6.51 C ATOM 85 OE1 GLU A 7 -12.815 14.121 -2.311 1.00 7.10 O ATOM 86 OE2 GLU A 7 -12.944 11.981 -2.098 1.00 6.91 O ATOM 0 H GLU A 7 -11.204 10.935 -1.200 1.00 3.93 H new ATOM 0 HA GLU A 7 -10.138 13.024 -1.448 1.00 4.22 H new ATOM 0 HB2 GLU A 7 -11.178 13.610 1.352 1.00 4.96 H new ATOM 0 HB3 GLU A 7 -11.110 14.686 -0.030 1.00 4.96 H new ATOM 0 HG2 GLU A 7 -12.981 12.305 0.363 1.00 5.54 H new ATOM 0 HG3 GLU A 7 -13.431 13.994 0.237 1.00 5.54 H new ATOM 93 N SER A 8 -8.684 13.668 1.225 1.00 3.75 N ATOM 94 CA SER A 8 -7.369 13.774 1.964 1.00 3.59 C ATOM 95 C SER A 8 -6.168 13.779 1.006 1.00 3.40 C ATOM 96 O SER A 8 -6.225 14.372 -0.052 1.00 3.67 O ATOM 97 CB SER A 8 -7.254 12.641 2.988 1.00 4.08 C ATOM 98 OG SER A 8 -6.429 13.075 4.065 1.00 4.45 O ATOM 0 H SER A 8 -9.389 14.340 1.529 1.00 3.75 H new ATOM 0 HA SER A 8 -7.354 14.729 2.489 1.00 3.59 H new ATOM 0 HB2 SER A 8 -8.242 12.365 3.357 1.00 4.08 H new ATOM 0 HB3 SER A 8 -6.828 11.753 2.521 1.00 4.08 H new ATOM 0 HG SER A 8 -6.351 12.357 4.727 1.00 4.45 H new ATOM 104 N LYS A 9 -5.056 13.188 1.384 1.00 3.38 N ATOM 105 CA LYS A 9 -3.870 13.262 0.487 1.00 3.37 C ATOM 106 C LYS A 9 -2.703 12.368 0.950 1.00 2.78 C ATOM 107 O LYS A 9 -2.809 11.569 1.852 1.00 3.09 O ATOM 108 CB LYS A 9 -3.380 14.702 0.563 1.00 4.25 C ATOM 109 CG LYS A 9 -3.484 15.397 -0.791 1.00 5.03 C ATOM 110 CD LYS A 9 -3.572 16.898 -0.546 1.00 5.77 C ATOM 111 CE LYS A 9 -2.288 17.404 0.128 1.00 6.44 C ATOM 112 NZ LYS A 9 -1.236 17.620 -0.903 1.00 7.31 N ATOM 0 H LYS A 9 -4.925 12.671 2.254 1.00 3.38 H new ATOM 0 HA LYS A 9 -4.165 12.932 -0.509 1.00 3.37 H new ATOM 0 HB2 LYS A 9 -3.967 15.249 1.301 1.00 4.25 H new ATOM 0 HB3 LYS A 9 -2.345 14.718 0.904 1.00 4.25 H new ATOM 0 HG2 LYS A 9 -2.616 15.162 -1.407 1.00 5.03 H new ATOM 0 HG3 LYS A 9 -4.363 15.047 -1.332 1.00 5.03 H new ATOM 0 HD2 LYS A 9 -3.725 17.419 -1.491 1.00 5.77 H new ATOM 0 HD3 LYS A 9 -4.433 17.121 0.084 1.00 5.77 H new ATOM 0 HE2 LYS A 9 -2.487 18.334 0.660 1.00 6.44 H new ATOM 0 HE3 LYS A 9 -1.944 16.681 0.868 1.00 6.44 H new ATOM 0 HZ1 LYS A 9 -0.367 17.963 -0.446 1.00 7.31 H new ATOM 0 HZ2 LYS A 9 -1.040 16.723 -1.392 1.00 7.31 H new ATOM 0 HZ3 LYS A 9 -1.565 18.325 -1.593 1.00 7.31 H new ATOM 126 N GLU A 10 -1.584 12.607 0.311 1.00 2.53 N ATOM 127 CA GLU A 10 -0.252 11.952 0.590 1.00 2.58 C ATOM 128 C GLU A 10 -0.207 10.421 0.689 1.00 1.91 C ATOM 129 O GLU A 10 0.826 9.908 1.074 1.00 2.36 O ATOM 130 CB GLU A 10 0.389 12.570 1.836 1.00 3.15 C ATOM 131 CG GLU A 10 -0.289 12.073 3.106 1.00 4.08 C ATOM 132 CD GLU A 10 -1.205 13.170 3.656 1.00 4.85 C ATOM 133 OE1 GLU A 10 -0.772 14.310 3.691 1.00 5.59 O ATOM 134 OE2 GLU A 10 -2.321 12.853 4.034 1.00 5.00 O ATOM 0 H GLU A 10 -1.534 13.282 -0.452 1.00 2.53 H new ATOM 0 HA GLU A 10 0.316 12.162 -0.317 1.00 2.58 H new ATOM 0 HB2 GLU A 10 1.450 12.320 1.865 1.00 3.15 H new ATOM 0 HB3 GLU A 10 0.319 13.656 1.784 1.00 3.15 H new ATOM 0 HG2 GLU A 10 -0.867 11.173 2.895 1.00 4.08 H new ATOM 0 HG3 GLU A 10 0.461 11.803 3.850 1.00 4.08 H new ATOM 141 N TRP A 11 -1.214 9.664 0.319 1.00 1.44 N ATOM 142 CA TRP A 11 -1.010 8.170 0.390 1.00 0.93 C ATOM 143 C TRP A 11 -1.470 7.445 -0.879 1.00 0.67 C ATOM 144 O TRP A 11 -1.467 6.234 -0.935 1.00 0.80 O ATOM 145 CB TRP A 11 -1.537 7.519 1.696 1.00 1.22 C ATOM 146 CG TRP A 11 -3.019 7.627 1.976 1.00 0.91 C ATOM 147 CD1 TRP A 11 -3.587 8.518 2.823 1.00 1.30 C ATOM 148 CD2 TRP A 11 -4.102 6.749 1.536 1.00 0.81 C ATOM 149 NE1 TRP A 11 -4.944 8.241 2.930 1.00 1.45 N ATOM 150 CE2 TRP A 11 -5.310 7.160 2.152 1.00 0.91 C ATOM 151 CE3 TRP A 11 -4.151 5.656 0.668 1.00 1.33 C ATOM 152 CZ2 TRP A 11 -6.520 6.486 1.920 1.00 0.91 C ATOM 153 CZ3 TRP A 11 -5.361 4.983 0.424 1.00 1.40 C ATOM 154 CH2 TRP A 11 -6.540 5.395 1.055 1.00 0.93 C ATOM 0 H TRP A 11 -2.123 9.986 -0.013 1.00 1.44 H new ATOM 0 HA TRP A 11 0.071 8.035 0.437 1.00 0.93 H new ATOM 0 HB2 TRP A 11 -1.274 6.461 1.676 1.00 1.22 H new ATOM 0 HB3 TRP A 11 -1.002 7.965 2.535 1.00 1.22 H new ATOM 0 HD1 TRP A 11 -3.068 9.316 3.333 1.00 1.30 H new ATOM 0 HE1 TRP A 11 -5.592 8.772 3.513 1.00 1.45 H new ATOM 0 HE3 TRP A 11 -3.248 5.324 0.178 1.00 1.33 H new ATOM 0 HZ2 TRP A 11 -7.427 6.811 2.408 1.00 0.91 H new ATOM 0 HZ3 TRP A 11 -5.381 4.143 -0.255 1.00 1.40 H new ATOM 0 HH2 TRP A 11 -7.464 4.867 0.871 1.00 0.93 H new ATOM 165 N TYR A 12 -1.765 8.161 -1.934 1.00 0.72 N ATOM 166 CA TYR A 12 -2.131 7.475 -3.212 1.00 0.78 C ATOM 167 C TYR A 12 -1.676 8.323 -4.435 1.00 0.69 C ATOM 168 O TYR A 12 -2.146 9.419 -4.679 1.00 0.83 O ATOM 169 CB TYR A 12 -3.650 7.158 -3.214 1.00 1.25 C ATOM 170 CG TYR A 12 -4.424 8.037 -4.168 1.00 0.94 C ATOM 171 CD1 TYR A 12 -4.531 7.683 -5.517 1.00 1.11 C ATOM 172 CD2 TYR A 12 -5.041 9.203 -3.699 1.00 1.43 C ATOM 173 CE1 TYR A 12 -5.251 8.495 -6.398 1.00 1.39 C ATOM 174 CE2 TYR A 12 -5.761 10.015 -4.580 1.00 1.73 C ATOM 175 CZ TYR A 12 -5.867 9.662 -5.930 1.00 1.60 C ATOM 176 OH TYR A 12 -6.577 10.465 -6.800 1.00 2.18 O ATOM 0 H TYR A 12 -1.769 9.180 -1.968 1.00 0.72 H new ATOM 0 HA TYR A 12 -1.605 6.524 -3.292 1.00 0.78 H new ATOM 0 HB2 TYR A 12 -3.799 6.113 -3.486 1.00 1.25 H new ATOM 0 HB3 TYR A 12 -4.046 7.285 -2.206 1.00 1.25 H new ATOM 0 HD1 TYR A 12 -4.057 6.782 -5.878 1.00 1.11 H new ATOM 0 HD2 TYR A 12 -4.961 9.475 -2.657 1.00 1.43 H new ATOM 0 HE1 TYR A 12 -5.332 8.222 -7.440 1.00 1.39 H new ATOM 0 HE2 TYR A 12 -6.236 10.915 -4.219 1.00 1.73 H new ATOM 0 HH TYR A 12 -6.941 11.233 -6.313 1.00 2.18 H new ATOM 186 N HIS A 13 -0.718 7.814 -5.194 1.00 0.69 N ATOM 187 CA HIS A 13 -0.202 8.552 -6.394 1.00 0.76 C ATOM 188 C HIS A 13 -0.942 8.037 -7.637 1.00 0.77 C ATOM 189 O HIS A 13 -0.927 6.857 -7.941 1.00 0.77 O ATOM 190 CB HIS A 13 1.300 8.295 -6.550 1.00 0.93 C ATOM 191 CG HIS A 13 1.974 8.417 -5.212 1.00 1.02 C ATOM 192 ND1 HIS A 13 2.282 9.645 -4.647 1.00 1.61 N ATOM 193 CD2 HIS A 13 2.408 7.471 -4.318 1.00 1.12 C ATOM 194 CE1 HIS A 13 2.876 9.409 -3.463 1.00 1.73 C ATOM 195 NE2 HIS A 13 2.978 8.099 -3.213 1.00 1.36 N ATOM 0 H HIS A 13 -0.273 6.912 -5.026 1.00 0.69 H new ATOM 0 HA HIS A 13 -0.368 9.623 -6.274 1.00 0.76 H new ATOM 0 HB2 HIS A 13 1.468 7.301 -6.964 1.00 0.93 H new ATOM 0 HB3 HIS A 13 1.730 9.009 -7.252 1.00 0.93 H new ATOM 0 HD1 HIS A 13 2.093 10.561 -5.055 1.00 1.61 H new ATOM 0 HD2 HIS A 13 2.321 6.403 -4.451 1.00 1.12 H new ATOM 0 HE1 HIS A 13 3.227 10.183 -2.796 1.00 1.73 H new ATOM 203 N ALA A 14 -1.637 8.903 -8.317 1.00 0.99 N ATOM 204 CA ALA A 14 -2.435 8.478 -9.498 1.00 1.09 C ATOM 205 C ALA A 14 -1.683 8.510 -10.833 1.00 1.30 C ATOM 206 O ALA A 14 -2.282 8.225 -11.851 1.00 2.12 O ATOM 207 CB ALA A 14 -3.620 9.413 -9.635 1.00 1.52 C ATOM 0 H ALA A 14 -1.687 9.899 -8.102 1.00 0.99 H new ATOM 0 HA ALA A 14 -2.711 7.440 -9.310 1.00 1.09 H new ATOM 0 HB1 ALA A 14 -4.219 9.118 -10.497 1.00 1.52 H new ATOM 0 HB2 ALA A 14 -4.231 9.361 -8.734 1.00 1.52 H new ATOM 0 HB3 ALA A 14 -3.264 10.434 -9.773 1.00 1.52 H new ATOM 213 N SER A 15 -0.437 8.896 -10.903 1.00 1.47 N ATOM 214 CA SER A 15 0.177 8.961 -12.264 1.00 2.09 C ATOM 215 C SER A 15 1.701 8.799 -12.285 1.00 1.86 C ATOM 216 O SER A 15 2.454 9.705 -11.985 1.00 2.21 O ATOM 217 CB SER A 15 -0.183 10.306 -12.892 1.00 3.07 C ATOM 218 OG SER A 15 -1.466 10.713 -12.436 1.00 3.55 O ATOM 0 H SER A 15 0.160 9.158 -10.119 1.00 1.47 H new ATOM 0 HA SER A 15 -0.224 8.117 -12.825 1.00 2.09 H new ATOM 0 HB2 SER A 15 0.563 11.055 -12.627 1.00 3.07 H new ATOM 0 HB3 SER A 15 -0.180 10.224 -13.979 1.00 3.07 H new ATOM 0 HG SER A 15 -1.697 11.577 -12.838 1.00 3.55 H new ATOM 224 N LEU A 16 2.133 7.659 -12.743 1.00 1.72 N ATOM 225 CA LEU A 16 3.589 7.379 -12.932 1.00 1.74 C ATOM 226 C LEU A 16 3.749 5.978 -13.524 1.00 1.66 C ATOM 227 O LEU A 16 2.869 5.146 -13.424 1.00 1.86 O ATOM 228 CB LEU A 16 4.408 7.505 -11.644 1.00 2.10 C ATOM 229 CG LEU A 16 3.627 7.050 -10.413 1.00 1.64 C ATOM 230 CD1 LEU A 16 3.360 5.546 -10.474 1.00 1.83 C ATOM 231 CD2 LEU A 16 4.482 7.345 -9.184 1.00 2.23 C ATOM 0 H LEU A 16 1.521 6.885 -13.003 1.00 1.72 H new ATOM 0 HA LEU A 16 3.981 8.136 -13.611 1.00 1.74 H new ATOM 0 HB2 LEU A 16 5.317 6.911 -11.735 1.00 2.10 H new ATOM 0 HB3 LEU A 16 4.717 8.542 -11.513 1.00 2.10 H new ATOM 0 HG LEU A 16 2.672 7.574 -10.370 1.00 1.64 H new ATOM 0 HD11 LEU A 16 2.803 5.239 -9.589 1.00 1.83 H new ATOM 0 HD12 LEU A 16 2.779 5.316 -11.367 1.00 1.83 H new ATOM 0 HD13 LEU A 16 4.308 5.009 -10.510 1.00 1.83 H new ATOM 0 HD21 LEU A 16 3.950 7.030 -8.286 1.00 2.23 H new ATOM 0 HD22 LEU A 16 5.424 6.801 -9.257 1.00 2.23 H new ATOM 0 HD23 LEU A 16 4.684 8.415 -9.130 1.00 2.23 H new ATOM 243 N THR A 17 4.855 5.724 -14.165 1.00 1.72 N ATOM 244 CA THR A 17 5.069 4.388 -14.796 1.00 1.79 C ATOM 245 C THR A 17 4.982 3.283 -13.745 1.00 1.75 C ATOM 246 O THR A 17 5.418 3.434 -12.621 1.00 1.85 O ATOM 247 CB THR A 17 6.421 4.332 -15.509 1.00 2.07 C ATOM 248 OG1 THR A 17 7.219 5.449 -15.148 1.00 2.33 O ATOM 249 CG2 THR A 17 6.214 4.329 -17.028 1.00 2.52 C ATOM 0 H THR A 17 5.623 6.385 -14.281 1.00 1.72 H new ATOM 0 HA THR A 17 4.284 4.233 -15.536 1.00 1.79 H new ATOM 0 HB THR A 17 6.930 3.416 -15.208 1.00 2.07 H new ATOM 0 HG1 THR A 17 7.570 5.876 -15.957 1.00 2.33 H new ATOM 0 HG21 THR A 17 7.182 4.289 -17.527 1.00 2.52 H new ATOM 0 HG22 THR A 17 5.623 3.459 -17.313 1.00 2.52 H new ATOM 0 HG23 THR A 17 5.690 5.237 -17.326 1.00 2.52 H new ATOM 257 N ARG A 18 4.396 2.176 -14.112 1.00 1.88 N ATOM 258 CA ARG A 18 4.245 1.043 -13.153 1.00 1.97 C ATOM 259 C ARG A 18 5.621 0.572 -12.670 1.00 1.81 C ATOM 260 O ARG A 18 5.741 -0.037 -11.625 1.00 2.36 O ATOM 261 CB ARG A 18 3.488 -0.112 -13.833 1.00 2.26 C ATOM 262 CG ARG A 18 4.437 -1.270 -14.141 1.00 2.82 C ATOM 263 CD ARG A 18 3.662 -2.341 -14.901 1.00 3.06 C ATOM 264 NE ARG A 18 3.311 -1.830 -16.257 1.00 3.69 N ATOM 265 CZ ARG A 18 2.892 -2.654 -17.178 1.00 4.12 C ATOM 266 NH1 ARG A 18 3.749 -3.362 -17.860 1.00 4.94 N ATOM 267 NH2 ARG A 18 1.614 -2.768 -17.418 1.00 4.05 N ATOM 0 H ARG A 18 4.012 2.006 -15.042 1.00 1.88 H new ATOM 0 HA ARG A 18 3.674 1.379 -12.287 1.00 1.97 H new ATOM 0 HB2 ARG A 18 2.683 -0.457 -13.185 1.00 2.26 H new ATOM 0 HB3 ARG A 18 3.026 0.242 -14.755 1.00 2.26 H new ATOM 0 HG2 ARG A 18 5.281 -0.920 -14.735 1.00 2.82 H new ATOM 0 HG3 ARG A 18 4.845 -1.681 -13.218 1.00 2.82 H new ATOM 0 HD2 ARG A 18 4.261 -3.248 -14.986 1.00 3.06 H new ATOM 0 HD3 ARG A 18 2.757 -2.607 -14.355 1.00 3.06 H new ATOM 0 HE ARG A 18 3.398 -0.835 -16.465 1.00 3.69 H new ATOM 0 HH11 ARG A 18 4.748 -3.272 -17.674 1.00 4.94 H new ATOM 0 HH12 ARG A 18 3.420 -4.006 -18.580 1.00 4.94 H new ATOM 0 HH21 ARG A 18 0.944 -2.213 -16.886 1.00 4.05 H new ATOM 0 HH22 ARG A 18 1.286 -3.412 -18.138 1.00 4.05 H new ATOM 281 N ALA A 19 6.655 0.842 -13.423 1.00 1.33 N ATOM 282 CA ALA A 19 8.015 0.412 -13.024 1.00 1.23 C ATOM 283 C ALA A 19 8.801 1.576 -12.418 1.00 1.09 C ATOM 284 O ALA A 19 9.769 1.369 -11.713 1.00 1.13 O ATOM 285 CB ALA A 19 8.759 -0.125 -14.247 1.00 1.36 C ATOM 0 H ALA A 19 6.608 1.349 -14.307 1.00 1.33 H new ATOM 0 HA ALA A 19 7.923 -0.371 -12.271 1.00 1.23 H new ATOM 0 HB1 ALA A 19 9.760 -0.442 -13.954 1.00 1.36 H new ATOM 0 HB2 ALA A 19 8.216 -0.975 -14.659 1.00 1.36 H new ATOM 0 HB3 ALA A 19 8.833 0.659 -15.001 1.00 1.36 H new ATOM 291 N GLN A 20 8.405 2.795 -12.662 1.00 1.07 N ATOM 292 CA GLN A 20 9.157 3.925 -12.062 1.00 1.03 C ATOM 293 C GLN A 20 8.877 3.966 -10.575 1.00 0.98 C ATOM 294 O GLN A 20 9.665 4.477 -9.819 1.00 0.99 O ATOM 295 CB GLN A 20 8.740 5.264 -12.675 1.00 1.17 C ATOM 296 CG GLN A 20 9.686 5.630 -13.816 1.00 1.39 C ATOM 297 CD GLN A 20 9.671 7.146 -14.022 1.00 1.77 C ATOM 298 OE1 GLN A 20 8.970 7.649 -14.878 1.00 2.25 O ATOM 299 NE2 GLN A 20 10.419 7.902 -13.264 1.00 2.48 N ATOM 0 H GLN A 20 7.606 3.052 -13.242 1.00 1.07 H new ATOM 0 HA GLN A 20 10.218 3.770 -12.257 1.00 1.03 H new ATOM 0 HB2 GLN A 20 7.717 5.201 -13.045 1.00 1.17 H new ATOM 0 HB3 GLN A 20 8.756 6.043 -11.913 1.00 1.17 H new ATOM 0 HG2 GLN A 20 10.697 5.293 -13.587 1.00 1.39 H new ATOM 0 HG3 GLN A 20 9.381 5.124 -14.732 1.00 1.39 H new ATOM 0 HE21 GLN A 20 11.007 7.480 -12.545 1.00 2.48 H new ATOM 0 HE22 GLN A 20 10.415 8.914 -13.391 1.00 2.48 H new ATOM 308 N ALA A 21 7.763 3.435 -10.150 1.00 1.03 N ATOM 309 CA ALA A 21 7.445 3.445 -8.693 1.00 1.05 C ATOM 310 C ALA A 21 8.459 2.585 -7.943 1.00 0.83 C ATOM 311 O ALA A 21 8.718 2.787 -6.774 1.00 0.85 O ATOM 312 CB ALA A 21 6.048 2.889 -8.463 1.00 1.21 C ATOM 0 H ALA A 21 7.061 2.996 -10.746 1.00 1.03 H new ATOM 0 HA ALA A 21 7.490 4.471 -8.326 1.00 1.05 H new ATOM 0 HB1 ALA A 21 5.823 2.900 -7.396 1.00 1.21 H new ATOM 0 HB2 ALA A 21 5.320 3.503 -8.993 1.00 1.21 H new ATOM 0 HB3 ALA A 21 5.998 1.865 -8.834 1.00 1.21 H new ATOM 318 N GLU A 22 9.050 1.638 -8.614 1.00 0.72 N ATOM 319 CA GLU A 22 10.064 0.779 -7.946 1.00 0.60 C ATOM 320 C GLU A 22 11.352 1.604 -7.790 1.00 0.59 C ATOM 321 O GLU A 22 12.127 1.402 -6.874 1.00 0.62 O ATOM 322 CB GLU A 22 10.365 -0.470 -8.815 1.00 0.70 C ATOM 323 CG GLU A 22 9.144 -1.407 -8.923 1.00 0.78 C ATOM 324 CD GLU A 22 9.259 -2.231 -10.208 1.00 1.94 C ATOM 325 OE1 GLU A 22 10.261 -2.909 -10.364 1.00 2.65 O ATOM 326 OE2 GLU A 22 8.344 -2.171 -11.012 1.00 2.74 O ATOM 0 H GLU A 22 8.875 1.422 -9.595 1.00 0.72 H new ATOM 0 HA GLU A 22 9.690 0.449 -6.977 1.00 0.60 H new ATOM 0 HB2 GLU A 22 10.668 -0.153 -9.813 1.00 0.70 H new ATOM 0 HB3 GLU A 22 11.205 -1.017 -8.386 1.00 0.70 H new ATOM 0 HG2 GLU A 22 9.098 -2.066 -8.056 1.00 0.78 H new ATOM 0 HG3 GLU A 22 8.222 -0.825 -8.930 1.00 0.78 H new ATOM 333 N HIS A 23 11.575 2.543 -8.683 1.00 0.69 N ATOM 334 CA HIS A 23 12.797 3.379 -8.616 1.00 0.78 C ATOM 335 C HIS A 23 12.605 4.520 -7.626 1.00 0.81 C ATOM 336 O HIS A 23 13.557 5.070 -7.130 1.00 0.93 O ATOM 337 CB HIS A 23 13.113 3.957 -10.003 1.00 0.97 C ATOM 338 CG HIS A 23 14.410 3.383 -10.511 1.00 1.22 C ATOM 339 ND1 HIS A 23 14.513 2.788 -11.760 1.00 1.89 N ATOM 340 CD2 HIS A 23 15.668 3.316 -9.960 1.00 1.80 C ATOM 341 CE1 HIS A 23 15.790 2.394 -11.917 1.00 2.26 C ATOM 342 NE2 HIS A 23 16.536 2.691 -10.850 1.00 2.21 N ATOM 0 H HIS A 23 10.950 2.760 -9.459 1.00 0.69 H new ATOM 0 HA HIS A 23 13.626 2.754 -8.284 1.00 0.78 H new ATOM 0 HB2 HIS A 23 12.305 3.724 -10.697 1.00 0.97 H new ATOM 0 HB3 HIS A 23 13.182 5.043 -9.947 1.00 0.97 H new ATOM 0 HD2 HIS A 23 15.941 3.691 -8.985 1.00 1.80 H new ATOM 0 HE1 HIS A 23 16.166 1.898 -12.799 1.00 2.26 H new ATOM 0 HE2 HIS A 23 17.529 2.501 -10.716 1.00 2.21 H new ATOM 350 N MET A 24 11.393 4.871 -7.307 1.00 0.86 N ATOM 351 CA MET A 24 11.207 5.966 -6.320 1.00 0.96 C ATOM 352 C MET A 24 11.334 5.371 -4.929 1.00 0.87 C ATOM 353 O MET A 24 11.795 6.000 -3.998 1.00 0.97 O ATOM 354 CB MET A 24 9.848 6.662 -6.451 1.00 1.12 C ATOM 355 CG MET A 24 9.276 6.447 -7.837 1.00 1.57 C ATOM 356 SD MET A 24 7.811 7.488 -8.059 1.00 2.25 S ATOM 357 CE MET A 24 8.578 8.752 -9.100 1.00 2.65 C ATOM 0 H MET A 24 10.538 4.456 -7.679 1.00 0.86 H new ATOM 0 HA MET A 24 11.968 6.723 -6.507 1.00 0.96 H new ATOM 0 HB2 MET A 24 9.159 6.272 -5.702 1.00 1.12 H new ATOM 0 HB3 MET A 24 9.959 7.729 -6.258 1.00 1.12 H new ATOM 0 HG2 MET A 24 10.024 6.689 -8.592 1.00 1.57 H new ATOM 0 HG3 MET A 24 9.013 5.398 -7.974 1.00 1.57 H new ATOM 0 HE1 MET A 24 7.837 9.508 -9.359 1.00 2.65 H new ATOM 0 HE2 MET A 24 9.400 9.220 -8.558 1.00 2.65 H new ATOM 0 HE3 MET A 24 8.960 8.291 -10.011 1.00 2.65 H new ATOM 367 N LEU A 25 10.942 4.143 -4.806 1.00 0.77 N ATOM 368 CA LEU A 25 11.036 3.438 -3.513 1.00 0.77 C ATOM 369 C LEU A 25 12.446 2.844 -3.390 1.00 0.82 C ATOM 370 O LEU A 25 12.905 2.546 -2.308 1.00 0.98 O ATOM 371 CB LEU A 25 9.954 2.346 -3.465 1.00 0.74 C ATOM 372 CG LEU A 25 8.596 2.991 -3.109 1.00 0.80 C ATOM 373 CD1 LEU A 25 7.478 1.943 -3.140 1.00 1.28 C ATOM 374 CD2 LEU A 25 8.657 3.615 -1.709 1.00 1.15 C ATOM 0 H LEU A 25 10.551 3.587 -5.567 1.00 0.77 H new ATOM 0 HA LEU A 25 10.870 4.116 -2.676 1.00 0.77 H new ATOM 0 HB2 LEU A 25 9.888 1.840 -4.428 1.00 0.74 H new ATOM 0 HB3 LEU A 25 10.216 1.590 -2.725 1.00 0.74 H new ATOM 0 HG LEU A 25 8.385 3.765 -3.847 1.00 0.80 H new ATOM 0 HD11 LEU A 25 6.529 2.416 -2.887 1.00 1.28 H new ATOM 0 HD12 LEU A 25 7.413 1.510 -4.138 1.00 1.28 H new ATOM 0 HD13 LEU A 25 7.696 1.157 -2.417 1.00 1.28 H new ATOM 0 HD21 LEU A 25 7.694 4.066 -1.470 1.00 1.15 H new ATOM 0 HD22 LEU A 25 8.888 2.842 -0.976 1.00 1.15 H new ATOM 0 HD23 LEU A 25 9.432 4.381 -1.685 1.00 1.15 H new ATOM 386 N MET A 26 13.158 2.696 -4.484 1.00 0.79 N ATOM 387 CA MET A 26 14.532 2.174 -4.398 1.00 0.93 C ATOM 388 C MET A 26 15.478 3.355 -4.111 1.00 1.07 C ATOM 389 O MET A 26 16.535 3.194 -3.535 1.00 1.21 O ATOM 390 CB MET A 26 14.894 1.500 -5.723 1.00 0.99 C ATOM 391 CG MET A 26 16.356 1.737 -6.016 1.00 1.63 C ATOM 392 SD MET A 26 16.886 0.651 -7.365 1.00 1.77 S ATOM 393 CE MET A 26 18.577 0.361 -6.790 1.00 2.36 C ATOM 0 H MET A 26 12.834 2.918 -5.425 1.00 0.79 H new ATOM 0 HA MET A 26 14.621 1.437 -3.599 1.00 0.93 H new ATOM 0 HB2 MET A 26 14.690 0.431 -5.669 1.00 0.99 H new ATOM 0 HB3 MET A 26 14.279 1.901 -6.529 1.00 0.99 H new ATOM 0 HG2 MET A 26 16.519 2.780 -6.289 1.00 1.63 H new ATOM 0 HG3 MET A 26 16.952 1.544 -5.124 1.00 1.63 H new ATOM 0 HE1 MET A 26 19.092 -0.297 -7.490 1.00 2.36 H new ATOM 0 HE2 MET A 26 19.108 1.311 -6.727 1.00 2.36 H new ATOM 0 HE3 MET A 26 18.551 -0.106 -5.805 1.00 2.36 H new ATOM 403 N ARG A 27 15.089 4.546 -4.506 1.00 1.11 N ATOM 404 CA ARG A 27 15.918 5.747 -4.268 1.00 1.31 C ATOM 405 C ARG A 27 15.914 6.097 -2.789 1.00 1.47 C ATOM 406 O ARG A 27 16.850 6.665 -2.281 1.00 1.72 O ATOM 407 CB ARG A 27 15.323 6.929 -5.030 1.00 1.49 C ATOM 408 CG ARG A 27 15.945 7.007 -6.420 1.00 1.86 C ATOM 409 CD ARG A 27 15.983 8.459 -6.907 1.00 2.36 C ATOM 410 NE ARG A 27 17.349 8.765 -7.419 1.00 2.83 N ATOM 411 CZ ARG A 27 17.560 9.849 -8.115 1.00 3.53 C ATOM 412 NH1 ARG A 27 17.635 11.004 -7.512 1.00 4.08 N ATOM 413 NH2 ARG A 27 17.696 9.780 -9.411 1.00 4.12 N ATOM 0 H ARG A 27 14.211 4.728 -4.993 1.00 1.11 H new ATOM 0 HA ARG A 27 16.935 5.542 -4.602 1.00 1.31 H new ATOM 0 HB2 ARG A 27 14.242 6.816 -5.110 1.00 1.49 H new ATOM 0 HB3 ARG A 27 15.507 7.855 -4.486 1.00 1.49 H new ATOM 0 HG2 ARG A 27 16.955 6.598 -6.397 1.00 1.86 H new ATOM 0 HG3 ARG A 27 15.370 6.398 -7.117 1.00 1.86 H new ATOM 0 HD2 ARG A 27 15.244 8.612 -7.693 1.00 2.36 H new ATOM 0 HD3 ARG A 27 15.726 9.136 -6.092 1.00 2.36 H new ATOM 0 HE ARG A 27 18.120 8.126 -7.225 1.00 2.83 H new ATOM 0 HH11 ARG A 27 17.529 11.058 -6.499 1.00 4.08 H new ATOM 0 HH12 ARG A 27 17.800 11.852 -8.054 1.00 4.08 H new ATOM 0 HH21 ARG A 27 17.637 8.877 -9.883 1.00 4.12 H new ATOM 0 HH22 ARG A 27 17.861 10.629 -9.952 1.00 4.12 H new ATOM 427 N VAL A 28 14.850 5.776 -2.113 1.00 1.45 N ATOM 428 CA VAL A 28 14.740 6.097 -0.658 1.00 1.72 C ATOM 429 C VAL A 28 15.496 5.013 0.142 1.00 1.91 C ATOM 430 O VAL A 28 15.109 3.865 0.131 1.00 1.93 O ATOM 431 CB VAL A 28 13.243 6.146 -0.260 1.00 1.63 C ATOM 432 CG1 VAL A 28 12.466 4.990 -0.868 1.00 2.35 C ATOM 433 CG2 VAL A 28 13.112 6.092 1.259 1.00 2.28 C ATOM 0 H VAL A 28 14.040 5.299 -2.508 1.00 1.45 H new ATOM 0 HA VAL A 28 15.183 7.069 -0.439 1.00 1.72 H new ATOM 0 HB VAL A 28 12.827 7.079 -0.642 1.00 1.63 H new ATOM 0 HG11 VAL A 28 11.420 5.057 -0.568 1.00 2.35 H new ATOM 0 HG12 VAL A 28 12.535 5.037 -1.955 1.00 2.35 H new ATOM 0 HG13 VAL A 28 12.885 4.046 -0.518 1.00 2.35 H new ATOM 0 HG21 VAL A 28 12.058 6.127 1.535 1.00 2.28 H new ATOM 0 HG22 VAL A 28 13.554 5.167 1.630 1.00 2.28 H new ATOM 0 HG23 VAL A 28 13.630 6.944 1.699 1.00 2.28 H new ATOM 443 N PRO A 29 16.598 5.392 0.773 1.00 2.37 N ATOM 444 CA PRO A 29 17.479 4.477 1.540 1.00 2.79 C ATOM 445 C PRO A 29 16.990 4.244 2.970 1.00 2.65 C ATOM 446 O PRO A 29 17.367 4.960 3.872 1.00 2.80 O ATOM 447 CB PRO A 29 18.839 5.163 1.600 1.00 3.50 C ATOM 448 CG PRO A 29 18.563 6.657 1.427 1.00 3.53 C ATOM 449 CD PRO A 29 17.157 6.770 0.826 1.00 2.81 C ATOM 0 HA PRO A 29 17.502 3.502 1.052 1.00 2.79 H new ATOM 0 HB2 PRO A 29 19.335 4.965 2.550 1.00 3.50 H new ATOM 0 HB3 PRO A 29 19.498 4.794 0.814 1.00 3.50 H new ATOM 0 HG2 PRO A 29 18.619 7.176 2.384 1.00 3.53 H new ATOM 0 HG3 PRO A 29 19.304 7.116 0.772 1.00 3.53 H new ATOM 0 HD2 PRO A 29 16.528 7.419 1.435 1.00 2.81 H new ATOM 0 HD3 PRO A 29 17.197 7.209 -0.171 1.00 2.81 H new ATOM 457 N ARG A 30 16.216 3.212 3.188 1.00 2.76 N ATOM 458 CA ARG A 30 15.754 2.878 4.571 1.00 2.77 C ATOM 459 C ARG A 30 14.826 1.665 4.521 1.00 1.93 C ATOM 460 O ARG A 30 14.365 1.257 3.477 1.00 2.20 O ATOM 461 CB ARG A 30 15.024 4.059 5.245 1.00 3.61 C ATOM 462 CG ARG A 30 15.356 4.102 6.751 1.00 4.41 C ATOM 463 CD ARG A 30 16.876 4.198 6.993 1.00 5.11 C ATOM 464 NE ARG A 30 17.450 2.842 7.249 1.00 5.97 N ATOM 465 CZ ARG A 30 18.734 2.637 7.113 1.00 6.76 C ATOM 466 NH1 ARG A 30 19.584 3.588 7.385 1.00 7.19 N ATOM 467 NH2 ARG A 30 19.167 1.477 6.703 1.00 7.36 N ATOM 0 H ARG A 30 15.881 2.580 2.461 1.00 2.76 H new ATOM 0 HA ARG A 30 16.638 2.655 5.168 1.00 2.77 H new ATOM 0 HB2 ARG A 30 15.320 4.996 4.773 1.00 3.61 H new ATOM 0 HB3 ARG A 30 13.948 3.958 5.105 1.00 3.61 H new ATOM 0 HG2 ARG A 30 14.859 4.957 7.210 1.00 4.41 H new ATOM 0 HG3 ARG A 30 14.965 3.208 7.236 1.00 4.41 H new ATOM 0 HD2 ARG A 30 17.361 4.647 6.126 1.00 5.11 H new ATOM 0 HD3 ARG A 30 17.075 4.850 7.843 1.00 5.11 H new ATOM 0 HE ARG A 30 16.839 2.075 7.530 1.00 5.97 H new ATOM 0 HH11 ARG A 30 19.248 4.496 7.705 1.00 7.19 H new ATOM 0 HH12 ARG A 30 20.585 3.424 7.277 1.00 7.19 H new ATOM 0 HH21 ARG A 30 18.504 0.732 6.489 1.00 7.36 H new ATOM 0 HH22 ARG A 30 20.168 1.315 6.596 1.00 7.36 H new ATOM 481 N ASP A 31 14.589 1.065 5.650 1.00 1.72 N ATOM 482 CA ASP A 31 13.729 -0.154 5.693 1.00 1.57 C ATOM 483 C ASP A 31 12.313 0.165 6.175 1.00 1.12 C ATOM 484 O ASP A 31 12.101 0.384 7.353 1.00 1.68 O ATOM 485 CB ASP A 31 14.347 -1.146 6.681 1.00 2.50 C ATOM 486 CG ASP A 31 15.875 -1.034 6.647 1.00 3.40 C ATOM 487 OD1 ASP A 31 16.450 -1.280 5.599 1.00 3.80 O ATOM 488 OD2 ASP A 31 16.445 -0.702 7.674 1.00 4.09 O ATOM 0 H ASP A 31 14.955 1.366 6.553 1.00 1.72 H new ATOM 0 HA ASP A 31 13.670 -0.562 4.684 1.00 1.57 H new ATOM 0 HB2 ASP A 31 13.981 -0.945 7.688 1.00 2.50 H new ATOM 0 HB3 ASP A 31 14.043 -2.162 6.428 1.00 2.50 H new ATOM 493 N GLY A 32 11.328 0.137 5.300 1.00 1.16 N ATOM 494 CA GLY A 32 9.942 0.371 5.760 1.00 1.35 C ATOM 495 C GLY A 32 9.357 1.674 5.228 1.00 1.08 C ATOM 496 O GLY A 32 9.727 2.758 5.635 1.00 1.48 O ATOM 0 H GLY A 32 11.435 -0.037 4.301 1.00 1.16 H new ATOM 0 HA2 GLY A 32 9.313 -0.461 5.443 1.00 1.35 H new ATOM 0 HA3 GLY A 32 9.923 0.387 6.850 1.00 1.35 H new ATOM 500 N ALA A 33 8.398 1.551 4.358 1.00 0.69 N ATOM 501 CA ALA A 33 7.672 2.761 3.832 1.00 0.49 C ATOM 502 C ALA A 33 6.459 2.292 3.031 1.00 0.50 C ATOM 503 O ALA A 33 6.603 1.550 2.091 1.00 0.59 O ATOM 504 CB ALA A 33 8.578 3.599 2.937 1.00 0.64 C ATOM 0 H ALA A 33 8.075 0.661 3.979 1.00 0.69 H new ATOM 0 HA ALA A 33 7.360 3.380 4.673 1.00 0.49 H new ATOM 0 HB1 ALA A 33 8.027 4.466 2.572 1.00 0.64 H new ATOM 0 HB2 ALA A 33 9.444 3.933 3.508 1.00 0.64 H new ATOM 0 HB3 ALA A 33 8.911 2.998 2.091 1.00 0.64 H new ATOM 510 N PHE A 34 5.263 2.699 3.401 1.00 0.56 N ATOM 511 CA PHE A 34 4.053 2.238 2.649 1.00 0.62 C ATOM 512 C PHE A 34 3.408 3.390 1.873 1.00 0.64 C ATOM 513 O PHE A 34 3.298 4.501 2.353 1.00 0.71 O ATOM 514 CB PHE A 34 3.015 1.660 3.627 1.00 0.71 C ATOM 515 CG PHE A 34 2.343 2.776 4.404 1.00 0.86 C ATOM 516 CD1 PHE A 34 1.221 3.434 3.874 1.00 0.99 C ATOM 517 CD2 PHE A 34 2.844 3.155 5.654 1.00 1.09 C ATOM 518 CE1 PHE A 34 0.612 4.470 4.591 1.00 1.22 C ATOM 519 CE2 PHE A 34 2.231 4.189 6.373 1.00 1.30 C ATOM 520 CZ PHE A 34 1.117 4.848 5.840 1.00 1.33 C ATOM 0 H PHE A 34 5.076 3.325 4.184 1.00 0.56 H new ATOM 0 HA PHE A 34 4.375 1.472 1.943 1.00 0.62 H new ATOM 0 HB2 PHE A 34 2.267 1.089 3.078 1.00 0.71 H new ATOM 0 HB3 PHE A 34 3.500 0.969 4.316 1.00 0.71 H new ATOM 0 HD1 PHE A 34 0.828 3.140 2.912 1.00 0.99 H new ATOM 0 HD2 PHE A 34 3.705 2.649 6.065 1.00 1.09 H new ATOM 0 HE1 PHE A 34 -0.248 4.978 4.180 1.00 1.22 H new ATOM 0 HE2 PHE A 34 2.618 4.478 7.339 1.00 1.30 H new ATOM 0 HZ PHE A 34 0.647 5.648 6.393 1.00 1.33 H new ATOM 530 N LEU A 35 2.962 3.115 0.673 1.00 0.62 N ATOM 531 CA LEU A 35 2.276 4.148 -0.160 1.00 0.67 C ATOM 532 C LEU A 35 1.220 3.421 -1.006 1.00 0.65 C ATOM 533 O LEU A 35 1.221 2.209 -1.091 1.00 0.71 O ATOM 534 CB LEU A 35 3.247 4.865 -1.128 1.00 0.70 C ATOM 535 CG LEU A 35 4.616 5.154 -0.490 1.00 0.78 C ATOM 536 CD1 LEU A 35 5.725 4.603 -1.393 1.00 1.33 C ATOM 537 CD2 LEU A 35 4.797 6.668 -0.349 1.00 1.18 C ATOM 0 H LEU A 35 3.046 2.201 0.228 1.00 0.62 H new ATOM 0 HA LEU A 35 1.848 4.900 0.503 1.00 0.67 H new ATOM 0 HB2 LEU A 35 3.388 4.250 -2.017 1.00 0.70 H new ATOM 0 HB3 LEU A 35 2.799 5.803 -1.457 1.00 0.70 H new ATOM 0 HG LEU A 35 4.668 4.680 0.490 1.00 0.78 H new ATOM 0 HD11 LEU A 35 6.696 4.807 -0.942 1.00 1.33 H new ATOM 0 HD12 LEU A 35 5.598 3.527 -1.510 1.00 1.33 H new ATOM 0 HD13 LEU A 35 5.671 5.083 -2.370 1.00 1.33 H new ATOM 0 HD21 LEU A 35 5.766 6.878 0.103 1.00 1.18 H new ATOM 0 HD22 LEU A 35 4.747 7.134 -1.333 1.00 1.18 H new ATOM 0 HD23 LEU A 35 4.007 7.072 0.284 1.00 1.18 H new ATOM 549 N VAL A 36 0.344 4.143 -1.653 1.00 0.64 N ATOM 550 CA VAL A 36 -0.682 3.475 -2.527 1.00 0.64 C ATOM 551 C VAL A 36 -0.645 4.135 -3.891 1.00 0.65 C ATOM 552 O VAL A 36 0.042 5.113 -4.086 1.00 0.76 O ATOM 553 CB VAL A 36 -2.083 3.551 -1.899 1.00 0.70 C ATOM 554 CG1 VAL A 36 -2.986 2.483 -2.526 1.00 1.14 C ATOM 555 CG2 VAL A 36 -1.975 3.289 -0.391 1.00 1.17 C ATOM 0 H VAL A 36 0.289 5.161 -1.619 1.00 0.64 H new ATOM 0 HA VAL A 36 -0.448 2.415 -2.629 1.00 0.64 H new ATOM 0 HB VAL A 36 -2.506 4.540 -2.077 1.00 0.70 H new ATOM 0 HG11 VAL A 36 -3.979 2.538 -2.080 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -3.061 2.655 -3.600 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -2.561 1.496 -2.345 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -2.966 3.342 0.059 1.00 1.17 H new ATOM 0 HG22 VAL A 36 -1.552 2.298 -0.223 1.00 1.17 H new ATOM 0 HG23 VAL A 36 -1.329 4.041 0.064 1.00 1.17 H new ATOM 565 N ARG A 37 -1.311 3.579 -4.860 1.00 0.60 N ATOM 566 CA ARG A 37 -1.220 4.181 -6.221 1.00 0.66 C ATOM 567 C ARG A 37 -2.348 3.690 -7.108 1.00 0.62 C ATOM 568 O ARG A 37 -3.103 2.809 -6.755 1.00 0.69 O ATOM 569 CB ARG A 37 0.108 3.752 -6.840 1.00 0.73 C ATOM 570 CG ARG A 37 -0.108 2.418 -7.549 1.00 0.80 C ATOM 571 CD ARG A 37 1.226 1.719 -7.756 1.00 1.55 C ATOM 572 NE ARG A 37 1.907 2.366 -8.908 1.00 1.84 N ATOM 573 CZ ARG A 37 3.098 1.996 -9.286 1.00 2.54 C ATOM 574 NH1 ARG A 37 3.798 1.139 -8.580 1.00 3.08 N ATOM 575 NH2 ARG A 37 3.588 2.489 -10.385 1.00 3.14 N ATOM 0 H ARG A 37 -1.903 2.752 -4.776 1.00 0.60 H new ATOM 0 HA ARG A 37 -1.290 5.266 -6.138 1.00 0.66 H new ATOM 0 HB2 ARG A 37 0.460 4.505 -7.545 1.00 0.73 H new ATOM 0 HB3 ARG A 37 0.873 3.654 -6.070 1.00 0.73 H new ATOM 0 HG2 ARG A 37 -0.772 1.786 -6.959 1.00 0.80 H new ATOM 0 HG3 ARG A 37 -0.595 2.582 -8.510 1.00 0.80 H new ATOM 0 HD2 ARG A 37 1.840 1.795 -6.858 1.00 1.55 H new ATOM 0 HD3 ARG A 37 1.074 0.657 -7.950 1.00 1.55 H new ATOM 0 HE ARG A 37 1.433 3.115 -9.413 1.00 1.84 H new ATOM 0 HH11 ARG A 37 3.411 0.751 -7.720 1.00 3.08 H new ATOM 0 HH12 ARG A 37 4.729 0.861 -8.892 1.00 3.08 H new ATOM 0 HH21 ARG A 37 3.042 3.153 -10.934 1.00 3.14 H new ATOM 0 HH22 ARG A 37 4.518 2.212 -10.698 1.00 3.14 H new ATOM 589 N LYS A 38 -2.445 4.261 -8.272 1.00 0.63 N ATOM 590 CA LYS A 38 -3.504 3.845 -9.228 1.00 0.66 C ATOM 591 C LYS A 38 -2.862 3.158 -10.432 1.00 0.66 C ATOM 592 O LYS A 38 -1.887 3.626 -10.985 1.00 0.93 O ATOM 593 CB LYS A 38 -4.269 5.076 -9.715 1.00 0.85 C ATOM 594 CG LYS A 38 -5.773 4.824 -9.627 1.00 1.49 C ATOM 595 CD LYS A 38 -6.298 5.417 -8.321 1.00 1.88 C ATOM 596 CE LYS A 38 -5.618 4.737 -7.125 1.00 2.23 C ATOM 597 NZ LYS A 38 -6.481 4.896 -5.922 1.00 3.00 N ATOM 0 H LYS A 38 -1.831 5.004 -8.605 1.00 0.63 H new ATOM 0 HA LYS A 38 -4.187 3.159 -8.728 1.00 0.66 H new ATOM 0 HB2 LYS A 38 -4.001 5.943 -9.111 1.00 0.85 H new ATOM 0 HB3 LYS A 38 -3.990 5.305 -10.743 1.00 0.85 H new ATOM 0 HG2 LYS A 38 -6.282 5.277 -10.478 1.00 1.49 H new ATOM 0 HG3 LYS A 38 -5.979 3.754 -9.665 1.00 1.49 H new ATOM 0 HD2 LYS A 38 -6.107 6.490 -8.297 1.00 1.88 H new ATOM 0 HD3 LYS A 38 -7.378 5.284 -8.260 1.00 1.88 H new ATOM 0 HE2 LYS A 38 -5.456 3.680 -7.335 1.00 2.23 H new ATOM 0 HE3 LYS A 38 -4.638 5.180 -6.947 1.00 2.23 H new ATOM 0 HZ1 LYS A 38 -5.886 4.924 -5.069 1.00 3.00 H new ATOM 0 HZ2 LYS A 38 -7.021 5.782 -5.997 1.00 3.00 H new ATOM 0 HZ3 LYS A 38 -7.140 4.094 -5.859 1.00 3.00 H new ATOM 611 N ARG A 39 -3.424 2.067 -10.859 1.00 0.63 N ATOM 612 CA ARG A 39 -2.876 1.358 -12.051 1.00 0.76 C ATOM 613 C ARG A 39 -3.261 2.159 -13.282 1.00 0.85 C ATOM 614 O ARG A 39 -3.700 3.288 -13.189 1.00 0.90 O ATOM 615 CB ARG A 39 -3.486 -0.051 -12.138 1.00 0.92 C ATOM 616 CG ARG A 39 -3.182 -0.835 -10.860 1.00 1.31 C ATOM 617 CD ARG A 39 -1.702 -0.699 -10.510 1.00 1.70 C ATOM 618 NE ARG A 39 -0.885 -1.149 -11.673 1.00 2.39 N ATOM 619 CZ ARG A 39 -1.259 -2.186 -12.371 1.00 3.05 C ATOM 620 NH1 ARG A 39 -1.603 -3.289 -11.766 1.00 3.42 N ATOM 621 NH2 ARG A 39 -1.283 -2.122 -13.674 1.00 3.75 N ATOM 0 H ARG A 39 -4.243 1.631 -10.435 1.00 0.63 H new ATOM 0 HA ARG A 39 -1.792 1.266 -11.979 1.00 0.76 H new ATOM 0 HB2 ARG A 39 -4.564 0.019 -12.283 1.00 0.92 H new ATOM 0 HB3 ARG A 39 -3.082 -0.578 -13.002 1.00 0.92 H new ATOM 0 HG2 ARG A 39 -3.795 -0.462 -10.039 1.00 1.31 H new ATOM 0 HG3 ARG A 39 -3.438 -1.886 -10.997 1.00 1.31 H new ATOM 0 HD2 ARG A 39 -1.467 0.336 -10.263 1.00 1.70 H new ATOM 0 HD3 ARG A 39 -1.467 -1.298 -9.630 1.00 1.70 H new ATOM 0 HE ARG A 39 -0.034 -0.646 -11.923 1.00 2.39 H new ATOM 0 HH11 ARG A 39 -1.580 -3.341 -10.748 1.00 3.42 H new ATOM 0 HH12 ARG A 39 -1.895 -4.100 -12.311 1.00 3.42 H new ATOM 0 HH21 ARG A 39 -1.009 -1.261 -14.147 1.00 3.75 H new ATOM 0 HH22 ARG A 39 -1.575 -2.933 -14.219 1.00 3.75 H new ATOM 635 N ASN A 40 -3.123 1.578 -14.431 1.00 1.06 N ATOM 636 CA ASN A 40 -3.506 2.294 -15.683 1.00 1.28 C ATOM 637 C ASN A 40 -4.961 1.972 -16.041 1.00 1.30 C ATOM 638 O ASN A 40 -5.351 1.947 -17.190 1.00 1.49 O ATOM 639 CB ASN A 40 -2.575 1.880 -16.826 1.00 1.58 C ATOM 640 CG ASN A 40 -1.425 2.887 -16.945 1.00 2.04 C ATOM 641 OD1 ASN A 40 -0.771 3.194 -15.969 1.00 2.64 O ATOM 642 ND2 ASN A 40 -1.147 3.422 -18.108 1.00 2.57 N ATOM 0 H ASN A 40 -2.761 0.634 -14.565 1.00 1.06 H new ATOM 0 HA ASN A 40 -3.411 3.368 -15.525 1.00 1.28 H new ATOM 0 HB2 ASN A 40 -2.179 0.881 -16.642 1.00 1.58 H new ATOM 0 HB3 ASN A 40 -3.131 1.835 -17.763 1.00 1.58 H new ATOM 0 HD21 ASN A 40 -0.384 4.094 -18.191 1.00 2.57 H new ATOM 0 HD22 ASN A 40 -1.694 3.167 -18.930 1.00 2.57 H new ATOM 649 N GLU A 41 -5.748 1.752 -15.038 1.00 1.22 N ATOM 650 CA GLU A 41 -7.196 1.432 -15.203 1.00 1.40 C ATOM 651 C GLU A 41 -7.881 1.674 -13.852 1.00 1.23 C ATOM 652 O GLU A 41 -7.317 1.364 -12.821 1.00 1.88 O ATOM 653 CB GLU A 41 -7.355 -0.053 -15.575 1.00 2.33 C ATOM 654 CG GLU A 41 -7.069 -0.264 -17.063 1.00 3.13 C ATOM 655 CD GLU A 41 -7.990 -1.354 -17.611 1.00 4.00 C ATOM 656 OE1 GLU A 41 -8.046 -2.413 -17.007 1.00 4.43 O ATOM 657 OE2 GLU A 41 -8.624 -1.112 -18.625 1.00 4.57 O ATOM 0 H GLU A 41 -5.440 1.781 -14.066 1.00 1.22 H new ATOM 0 HA GLU A 41 -7.635 2.051 -15.986 1.00 1.40 H new ATOM 0 HB2 GLU A 41 -6.674 -0.659 -14.978 1.00 2.33 H new ATOM 0 HB3 GLU A 41 -8.366 -0.387 -15.342 1.00 2.33 H new ATOM 0 HG2 GLU A 41 -7.224 0.666 -17.609 1.00 3.13 H new ATOM 0 HG3 GLU A 41 -6.027 -0.548 -17.207 1.00 3.13 H new ATOM 664 N PRO A 42 -9.076 2.208 -13.888 1.00 1.39 N ATOM 665 CA PRO A 42 -9.910 2.505 -12.695 1.00 2.09 C ATOM 666 C PRO A 42 -10.583 1.250 -12.130 1.00 1.84 C ATOM 667 O PRO A 42 -11.606 1.340 -11.478 1.00 2.23 O ATOM 668 CB PRO A 42 -10.994 3.459 -13.174 1.00 2.90 C ATOM 669 CG PRO A 42 -11.122 3.192 -14.668 1.00 2.84 C ATOM 670 CD PRO A 42 -9.780 2.632 -15.111 1.00 1.97 C ATOM 0 HA PRO A 42 -9.286 2.919 -11.903 1.00 2.09 H new ATOM 0 HB2 PRO A 42 -11.937 3.276 -12.658 1.00 2.90 H new ATOM 0 HB3 PRO A 42 -10.721 4.496 -12.980 1.00 2.90 H new ATOM 0 HG2 PRO A 42 -11.926 2.484 -14.870 1.00 2.84 H new ATOM 0 HG3 PRO A 42 -11.360 4.108 -15.209 1.00 2.84 H new ATOM 0 HD2 PRO A 42 -9.917 1.791 -15.791 1.00 1.97 H new ATOM 0 HD3 PRO A 42 -9.204 3.386 -15.648 1.00 1.97 H new ATOM 678 N ASN A 43 -10.038 0.093 -12.367 1.00 1.44 N ATOM 679 CA ASN A 43 -10.667 -1.145 -11.843 1.00 1.42 C ATOM 680 C ASN A 43 -9.670 -1.913 -10.978 1.00 1.27 C ATOM 681 O ASN A 43 -9.672 -3.128 -10.958 1.00 2.02 O ATOM 682 CB ASN A 43 -11.115 -2.037 -13.007 1.00 1.69 C ATOM 683 CG ASN A 43 -12.128 -1.288 -13.874 1.00 2.35 C ATOM 684 OD1 ASN A 43 -12.587 -0.224 -13.512 1.00 2.92 O ATOM 685 ND2 ASN A 43 -12.499 -1.807 -15.012 1.00 3.02 N ATOM 0 H ASN A 43 -9.182 -0.048 -12.903 1.00 1.44 H new ATOM 0 HA ASN A 43 -11.533 -0.869 -11.241 1.00 1.42 H new ATOM 0 HB2 ASN A 43 -10.253 -2.327 -13.608 1.00 1.69 H new ATOM 0 HB3 ASN A 43 -11.560 -2.955 -12.623 1.00 1.69 H new ATOM 0 HD21 ASN A 43 -13.175 -1.319 -15.599 1.00 3.02 H new ATOM 0 HD22 ASN A 43 -12.113 -2.701 -15.315 1.00 3.02 H new ATOM 692 N SER A 44 -8.835 -1.200 -10.265 1.00 0.85 N ATOM 693 CA SER A 44 -7.807 -1.843 -9.378 1.00 0.78 C ATOM 694 C SER A 44 -6.788 -0.782 -8.947 1.00 0.69 C ATOM 695 O SER A 44 -6.443 0.105 -9.703 1.00 0.93 O ATOM 696 CB SER A 44 -7.051 -2.942 -10.140 1.00 1.05 C ATOM 697 OG SER A 44 -6.848 -2.526 -11.483 1.00 1.32 O ATOM 0 H SER A 44 -8.819 -0.180 -10.258 1.00 0.85 H new ATOM 0 HA SER A 44 -8.313 -2.277 -8.515 1.00 0.78 H new ATOM 0 HB2 SER A 44 -6.093 -3.141 -9.660 1.00 1.05 H new ATOM 0 HB3 SER A 44 -7.618 -3.873 -10.117 1.00 1.05 H new ATOM 0 HG SER A 44 -6.364 -3.224 -11.972 1.00 1.32 H new ATOM 703 N TYR A 45 -6.297 -0.883 -7.744 1.00 0.58 N ATOM 704 CA TYR A 45 -5.277 0.097 -7.240 1.00 0.54 C ATOM 705 C TYR A 45 -4.050 -0.704 -6.809 1.00 0.53 C ATOM 706 O TYR A 45 -3.981 -1.886 -7.060 1.00 0.58 O ATOM 707 CB TYR A 45 -5.853 0.870 -6.044 1.00 0.56 C ATOM 708 CG TYR A 45 -7.355 1.012 -6.192 1.00 0.82 C ATOM 709 CD1 TYR A 45 -7.894 2.100 -6.893 1.00 1.30 C ATOM 710 CD2 TYR A 45 -8.210 0.055 -5.628 1.00 1.23 C ATOM 711 CE1 TYR A 45 -9.281 2.230 -7.030 1.00 1.73 C ATOM 712 CE2 TYR A 45 -9.597 0.188 -5.765 1.00 1.65 C ATOM 713 CZ TYR A 45 -10.133 1.274 -6.467 1.00 1.77 C ATOM 714 OH TYR A 45 -11.500 1.402 -6.602 1.00 2.28 O ATOM 0 H TYR A 45 -6.558 -1.609 -7.076 1.00 0.58 H new ATOM 0 HA TYR A 45 -5.009 0.816 -8.014 1.00 0.54 H new ATOM 0 HB2 TYR A 45 -5.619 0.348 -5.116 1.00 0.56 H new ATOM 0 HB3 TYR A 45 -5.391 1.855 -5.981 1.00 0.56 H new ATOM 0 HD1 TYR A 45 -7.238 2.839 -7.328 1.00 1.30 H new ATOM 0 HD2 TYR A 45 -7.799 -0.785 -5.088 1.00 1.23 H new ATOM 0 HE1 TYR A 45 -9.694 3.069 -7.571 1.00 1.73 H new ATOM 0 HE2 TYR A 45 -10.255 -0.549 -5.328 1.00 1.65 H new ATOM 0 HH TYR A 45 -11.762 1.164 -7.516 1.00 2.28 H new ATOM 724 N ALA A 46 -3.076 -0.110 -6.169 1.00 0.57 N ATOM 725 CA ALA A 46 -1.906 -0.950 -5.760 1.00 0.61 C ATOM 726 C ALA A 46 -1.108 -0.291 -4.637 1.00 0.59 C ATOM 727 O ALA A 46 -0.759 0.868 -4.686 1.00 0.89 O ATOM 728 CB ALA A 46 -1.002 -1.242 -6.964 1.00 0.73 C ATOM 0 H ALA A 46 -3.035 0.878 -5.919 1.00 0.57 H new ATOM 0 HA ALA A 46 -2.295 -1.895 -5.380 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -0.158 -1.854 -6.645 1.00 0.73 H new ATOM 0 HB2 ALA A 46 -1.571 -1.777 -7.725 1.00 0.73 H new ATOM 0 HB3 ALA A 46 -0.634 -0.304 -7.379 1.00 0.73 H new ATOM 734 N ILE A 47 -0.839 -1.053 -3.613 1.00 0.62 N ATOM 735 CA ILE A 47 -0.091 -0.539 -2.437 1.00 0.57 C ATOM 736 C ILE A 47 1.413 -0.702 -2.654 1.00 0.56 C ATOM 737 O ILE A 47 1.972 -1.771 -2.531 1.00 0.74 O ATOM 738 CB ILE A 47 -0.538 -1.328 -1.202 1.00 0.60 C ATOM 739 CG1 ILE A 47 -2.076 -1.294 -1.106 1.00 0.68 C ATOM 740 CG2 ILE A 47 0.067 -0.715 0.056 1.00 0.71 C ATOM 741 CD1 ILE A 47 -2.566 -2.356 -0.122 1.00 0.77 C ATOM 0 H ILE A 47 -1.114 -2.033 -3.543 1.00 0.62 H new ATOM 0 HA ILE A 47 -0.298 0.522 -2.297 1.00 0.57 H new ATOM 0 HB ILE A 47 -0.198 -2.360 -1.291 1.00 0.60 H new ATOM 0 HG12 ILE A 47 -2.406 -0.307 -0.782 1.00 0.68 H new ATOM 0 HG13 ILE A 47 -2.513 -1.469 -2.089 1.00 0.68 H new ATOM 0 HG21 ILE A 47 -0.256 -1.282 0.929 1.00 0.71 H new ATOM 0 HG22 ILE A 47 1.154 -0.743 -0.013 1.00 0.71 H new ATOM 0 HG23 ILE A 47 -0.264 0.319 0.152 1.00 0.71 H new ATOM 0 HD11 ILE A 47 -3.654 -2.323 -0.062 1.00 0.77 H new ATOM 0 HD12 ILE A 47 -2.251 -3.342 -0.464 1.00 0.77 H new ATOM 0 HD13 ILE A 47 -2.143 -2.162 0.863 1.00 0.77 H new ATOM 753 N SER A 48 2.060 0.380 -2.960 1.00 0.58 N ATOM 754 CA SER A 48 3.537 0.364 -3.191 1.00 0.58 C ATOM 755 C SER A 48 4.248 0.516 -1.845 1.00 0.58 C ATOM 756 O SER A 48 4.315 1.604 -1.311 1.00 0.65 O ATOM 757 CB SER A 48 3.923 1.522 -4.119 1.00 0.64 C ATOM 758 OG SER A 48 3.511 2.747 -3.542 1.00 0.88 O ATOM 0 H SER A 48 1.625 1.297 -3.063 1.00 0.58 H new ATOM 0 HA SER A 48 3.832 -0.576 -3.657 1.00 0.58 H new ATOM 0 HB2 SER A 48 5.001 1.528 -4.281 1.00 0.64 H new ATOM 0 HB3 SER A 48 3.455 1.392 -5.095 1.00 0.64 H new ATOM 0 HG SER A 48 3.531 2.671 -2.565 1.00 0.88 H new ATOM 764 N PHE A 49 4.774 -0.555 -1.275 1.00 0.57 N ATOM 765 CA PHE A 49 5.451 -0.414 0.053 1.00 0.61 C ATOM 766 C PHE A 49 6.739 -1.258 0.081 1.00 0.58 C ATOM 767 O PHE A 49 6.721 -2.429 -0.230 1.00 0.68 O ATOM 768 CB PHE A 49 4.474 -0.855 1.166 1.00 0.75 C ATOM 769 CG PHE A 49 4.347 -2.363 1.223 1.00 0.63 C ATOM 770 CD1 PHE A 49 3.379 -3.015 0.449 1.00 0.85 C ATOM 771 CD2 PHE A 49 5.195 -3.109 2.055 1.00 0.89 C ATOM 772 CE1 PHE A 49 3.260 -4.410 0.506 1.00 1.17 C ATOM 773 CE2 PHE A 49 5.075 -4.502 2.109 1.00 1.14 C ATOM 774 CZ PHE A 49 4.109 -5.152 1.335 1.00 1.24 C ATOM 0 H PHE A 49 4.762 -1.497 -1.666 1.00 0.57 H new ATOM 0 HA PHE A 49 5.729 0.627 0.220 1.00 0.61 H new ATOM 0 HB2 PHE A 49 4.823 -0.481 2.128 1.00 0.75 H new ATOM 0 HB3 PHE A 49 3.494 -0.412 0.989 1.00 0.75 H new ATOM 0 HD1 PHE A 49 2.724 -2.443 -0.192 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.941 -2.608 2.654 1.00 0.89 H new ATOM 0 HE1 PHE A 49 2.513 -4.913 -0.090 1.00 1.17 H new ATOM 0 HE2 PHE A 49 5.729 -5.076 2.749 1.00 1.14 H new ATOM 0 HZ PHE A 49 4.018 -6.227 1.377 1.00 1.24 H new ATOM 784 N ARG A 50 7.865 -0.669 0.443 1.00 0.72 N ATOM 785 CA ARG A 50 9.138 -1.438 0.483 1.00 0.86 C ATOM 786 C ARG A 50 9.540 -1.687 1.939 1.00 0.65 C ATOM 787 O ARG A 50 9.076 -1.024 2.863 1.00 0.74 O ATOM 788 CB ARG A 50 10.227 -0.682 -0.306 1.00 1.22 C ATOM 789 CG ARG A 50 10.915 0.397 0.532 1.00 1.91 C ATOM 790 CD ARG A 50 10.005 1.615 0.622 1.00 2.64 C ATOM 791 NE ARG A 50 10.818 2.849 0.846 1.00 3.49 N ATOM 792 CZ ARG A 50 11.928 2.800 1.545 1.00 4.43 C ATOM 793 NH1 ARG A 50 13.039 2.413 0.982 1.00 4.88 N ATOM 794 NH2 ARG A 50 11.938 3.173 2.799 1.00 5.21 N ATOM 0 H ARG A 50 7.945 0.312 0.710 1.00 0.72 H new ATOM 0 HA ARG A 50 9.008 -2.410 0.008 1.00 0.86 H new ATOM 0 HB2 ARG A 50 10.973 -1.393 -0.661 1.00 1.22 H new ATOM 0 HB3 ARG A 50 9.780 -0.223 -1.187 1.00 1.22 H new ATOM 0 HG2 ARG A 50 11.133 0.016 1.530 1.00 1.91 H new ATOM 0 HG3 ARG A 50 11.868 0.672 0.081 1.00 1.91 H new ATOM 0 HD2 ARG A 50 9.425 1.714 -0.296 1.00 2.64 H new ATOM 0 HD3 ARG A 50 9.293 1.487 1.437 1.00 2.64 H new ATOM 0 HE ARG A 50 10.508 3.737 0.452 1.00 3.49 H new ATOM 0 HH11 ARG A 50 13.046 2.148 -0.003 1.00 4.88 H new ATOM 0 HH12 ARG A 50 13.901 2.376 1.527 1.00 4.88 H new ATOM 0 HH21 ARG A 50 11.080 3.504 3.239 1.00 5.21 H new ATOM 0 HH22 ARG A 50 12.804 3.132 3.336 1.00 5.21 H new ATOM 808 N ALA A 51 10.385 -2.661 2.133 1.00 0.63 N ATOM 809 CA ALA A 51 10.832 -3.036 3.472 1.00 0.79 C ATOM 810 C ALA A 51 12.274 -3.537 3.398 1.00 1.07 C ATOM 811 O ALA A 51 12.611 -4.368 2.577 1.00 1.53 O ATOM 812 CB ALA A 51 9.937 -4.165 3.993 1.00 1.30 C ATOM 0 H ALA A 51 10.788 -3.222 1.383 1.00 0.63 H new ATOM 0 HA ALA A 51 10.775 -2.175 4.138 1.00 0.79 H new ATOM 0 HB1 ALA A 51 10.261 -4.454 4.993 1.00 1.30 H new ATOM 0 HB2 ALA A 51 8.903 -3.821 4.032 1.00 1.30 H new ATOM 0 HB3 ALA A 51 10.009 -5.024 3.326 1.00 1.30 H new ATOM 818 N GLU A 52 13.115 -3.033 4.252 1.00 1.33 N ATOM 819 CA GLU A 52 14.544 -3.458 4.277 1.00 1.82 C ATOM 820 C GLU A 52 15.225 -3.117 2.952 1.00 1.57 C ATOM 821 O GLU A 52 15.327 -1.962 2.590 1.00 2.23 O ATOM 822 CB GLU A 52 14.642 -4.962 4.607 1.00 2.46 C ATOM 823 CG GLU A 52 14.131 -5.219 6.026 1.00 2.96 C ATOM 824 CD GLU A 52 14.438 -6.663 6.426 1.00 3.62 C ATOM 825 OE1 GLU A 52 15.607 -6.981 6.572 1.00 4.08 O ATOM 826 OE2 GLU A 52 13.499 -7.426 6.582 1.00 4.07 O ATOM 0 H GLU A 52 12.870 -2.330 4.949 1.00 1.33 H new ATOM 0 HA GLU A 52 15.070 -2.912 5.061 1.00 1.82 H new ATOM 0 HB2 GLU A 52 14.057 -5.539 3.891 1.00 2.46 H new ATOM 0 HB3 GLU A 52 15.676 -5.296 4.517 1.00 2.46 H new ATOM 0 HG2 GLU A 52 14.604 -4.529 6.725 1.00 2.96 H new ATOM 0 HG3 GLU A 52 13.057 -5.037 6.076 1.00 2.96 H new ATOM 833 N GLY A 53 15.697 -4.094 2.238 1.00 1.40 N ATOM 834 CA GLY A 53 16.381 -3.822 0.942 1.00 1.42 C ATOM 835 C GLY A 53 15.559 -4.443 -0.172 1.00 1.22 C ATOM 836 O GLY A 53 16.085 -4.842 -1.193 1.00 1.38 O ATOM 0 H GLY A 53 15.640 -5.079 2.496 1.00 1.40 H new ATOM 0 HA2 GLY A 53 16.483 -2.748 0.785 1.00 1.42 H new ATOM 0 HA3 GLY A 53 17.388 -4.240 0.949 1.00 1.42 H new ATOM 840 N LYS A 54 14.266 -4.524 0.011 1.00 1.07 N ATOM 841 CA LYS A 54 13.408 -5.116 -1.051 1.00 1.08 C ATOM 842 C LYS A 54 12.209 -4.216 -1.239 1.00 1.03 C ATOM 843 O LYS A 54 11.927 -3.397 -0.408 1.00 1.52 O ATOM 844 CB LYS A 54 12.944 -6.523 -0.633 1.00 1.30 C ATOM 845 CG LYS A 54 14.099 -7.531 -0.741 1.00 1.79 C ATOM 846 CD LYS A 54 13.619 -8.899 -0.249 1.00 2.26 C ATOM 847 CE LYS A 54 13.899 -9.963 -1.315 1.00 2.99 C ATOM 848 NZ LYS A 54 15.354 -10.284 -1.325 1.00 3.37 N ATOM 0 H LYS A 54 13.772 -4.207 0.845 1.00 1.07 H new ATOM 0 HA LYS A 54 13.969 -5.202 -1.982 1.00 1.08 H new ATOM 0 HB2 LYS A 54 12.571 -6.499 0.391 1.00 1.30 H new ATOM 0 HB3 LYS A 54 12.116 -6.842 -1.267 1.00 1.30 H new ATOM 0 HG2 LYS A 54 14.441 -7.602 -1.774 1.00 1.79 H new ATOM 0 HG3 LYS A 54 14.948 -7.195 -0.146 1.00 1.79 H new ATOM 0 HD2 LYS A 54 14.126 -9.160 0.680 1.00 2.26 H new ATOM 0 HD3 LYS A 54 12.552 -8.863 -0.030 1.00 2.26 H new ATOM 0 HE2 LYS A 54 13.319 -10.862 -1.108 1.00 2.99 H new ATOM 0 HE3 LYS A 54 13.588 -9.602 -2.295 1.00 2.99 H new ATOM 0 HZ1 LYS A 54 15.545 -11.006 -2.048 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 15.898 -9.424 -1.542 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 15.636 -10.646 -0.392 1.00 3.37 H new ATOM 862 N ILE A 55 11.513 -4.362 -2.325 1.00 0.79 N ATOM 863 CA ILE A 55 10.310 -3.508 -2.573 1.00 0.74 C ATOM 864 C ILE A 55 9.097 -4.432 -2.669 1.00 0.79 C ATOM 865 O ILE A 55 9.215 -5.566 -3.090 1.00 1.05 O ATOM 866 CB ILE A 55 10.514 -2.699 -3.865 1.00 0.89 C ATOM 867 CG1 ILE A 55 11.943 -2.131 -3.854 1.00 1.19 C ATOM 868 CG2 ILE A 55 9.505 -1.539 -3.929 1.00 1.18 C ATOM 869 CD1 ILE A 55 12.137 -1.158 -5.013 1.00 1.59 C ATOM 0 H ILE A 55 11.721 -5.038 -3.060 1.00 0.79 H new ATOM 0 HA ILE A 55 10.153 -2.795 -1.764 1.00 0.74 H new ATOM 0 HB ILE A 55 10.362 -3.342 -4.732 1.00 0.89 H new ATOM 0 HG12 ILE A 55 12.132 -1.623 -2.908 1.00 1.19 H new ATOM 0 HG13 ILE A 55 12.665 -2.944 -3.929 1.00 1.19 H new ATOM 0 HG21 ILE A 55 9.659 -0.973 -4.848 1.00 1.18 H new ATOM 0 HG22 ILE A 55 8.491 -1.938 -3.914 1.00 1.18 H new ATOM 0 HG23 ILE A 55 9.650 -0.883 -3.071 1.00 1.18 H new ATOM 0 HD11 ILE A 55 13.153 -0.765 -4.992 1.00 1.59 H new ATOM 0 HD12 ILE A 55 11.969 -1.678 -5.956 1.00 1.59 H new ATOM 0 HD13 ILE A 55 11.428 -0.336 -4.920 1.00 1.59 H new ATOM 881 N LYS A 56 7.937 -3.975 -2.266 1.00 0.74 N ATOM 882 CA LYS A 56 6.738 -4.864 -2.326 1.00 0.93 C ATOM 883 C LYS A 56 5.523 -4.084 -2.780 1.00 0.77 C ATOM 884 O LYS A 56 4.750 -3.596 -1.975 1.00 1.02 O ATOM 885 CB LYS A 56 6.392 -5.468 -0.947 1.00 1.27 C ATOM 886 CG LYS A 56 7.553 -6.283 -0.378 1.00 0.97 C ATOM 887 CD LYS A 56 7.903 -7.436 -1.325 1.00 1.40 C ATOM 888 CE LYS A 56 7.652 -8.796 -0.653 1.00 1.72 C ATOM 889 NZ LYS A 56 8.724 -9.753 -1.061 1.00 2.20 N ATOM 0 H LYS A 56 7.770 -3.037 -1.903 1.00 0.74 H new ATOM 0 HA LYS A 56 6.986 -5.661 -3.027 1.00 0.93 H new ATOM 0 HB2 LYS A 56 6.135 -4.667 -0.253 1.00 1.27 H new ATOM 0 HB3 LYS A 56 5.512 -6.104 -1.039 1.00 1.27 H new ATOM 0 HG2 LYS A 56 8.423 -5.641 -0.237 1.00 0.97 H new ATOM 0 HG3 LYS A 56 7.285 -6.676 0.603 1.00 0.97 H new ATOM 0 HD2 LYS A 56 7.306 -7.359 -2.233 1.00 1.40 H new ATOM 0 HD3 LYS A 56 8.949 -7.361 -1.624 1.00 1.40 H new ATOM 0 HE2 LYS A 56 7.643 -8.683 0.431 1.00 1.72 H new ATOM 0 HE3 LYS A 56 6.674 -9.182 -0.941 1.00 1.72 H new ATOM 0 HZ1 LYS A 56 8.558 -10.674 -0.608 1.00 2.20 H new ATOM 0 HZ2 LYS A 56 8.712 -9.868 -2.095 1.00 2.20 H new ATOM 0 HZ3 LYS A 56 9.650 -9.384 -0.765 1.00 2.20 H new ATOM 903 N HIS A 57 5.294 -4.019 -4.049 1.00 0.76 N ATOM 904 CA HIS A 57 4.064 -3.353 -4.496 1.00 0.65 C ATOM 905 C HIS A 57 2.971 -4.341 -4.163 1.00 0.66 C ATOM 906 O HIS A 57 3.257 -5.478 -3.919 1.00 1.10 O ATOM 907 CB HIS A 57 4.135 -3.062 -6.003 1.00 0.78 C ATOM 908 CG HIS A 57 5.047 -1.884 -6.247 1.00 0.80 C ATOM 909 ND1 HIS A 57 5.418 -1.500 -7.526 1.00 1.40 N ATOM 910 CD2 HIS A 57 5.664 -0.989 -5.396 1.00 0.95 C ATOM 911 CE1 HIS A 57 6.217 -0.424 -7.413 1.00 1.63 C ATOM 912 NE2 HIS A 57 6.400 -0.072 -6.139 1.00 1.30 N ATOM 0 H HIS A 57 5.895 -4.392 -4.784 1.00 0.76 H new ATOM 0 HA HIS A 57 3.896 -2.388 -4.017 1.00 0.65 H new ATOM 0 HB2 HIS A 57 4.505 -3.938 -6.536 1.00 0.78 H new ATOM 0 HB3 HIS A 57 3.138 -2.850 -6.390 1.00 0.78 H new ATOM 0 HD1 HIS A 57 5.136 -1.952 -8.396 1.00 1.40 H new ATOM 0 HD2 HIS A 57 5.587 -0.999 -4.319 1.00 0.95 H new ATOM 0 HE1 HIS A 57 6.658 0.093 -8.253 1.00 1.63 H new ATOM 920 N CYS A 58 1.746 -3.940 -4.115 1.00 0.65 N ATOM 921 CA CYS A 58 0.662 -4.929 -3.797 1.00 0.62 C ATOM 922 C CYS A 58 -0.503 -4.622 -4.720 1.00 0.64 C ATOM 923 O CYS A 58 -0.753 -3.488 -5.029 1.00 0.84 O ATOM 924 CB CYS A 58 0.234 -4.835 -2.331 1.00 0.71 C ATOM 925 SG CYS A 58 -1.533 -4.461 -2.247 1.00 1.28 S ATOM 0 H CYS A 58 1.434 -2.983 -4.278 1.00 0.65 H new ATOM 0 HA CYS A 58 1.021 -5.947 -3.949 1.00 0.62 H new ATOM 0 HB2 CYS A 58 0.443 -5.774 -1.818 1.00 0.71 H new ATOM 0 HB3 CYS A 58 0.806 -4.059 -1.822 1.00 0.71 H new ATOM 0 HG CYS A 58 -2.217 -5.550 -2.439 1.00 1.28 H new ATOM 931 N ARG A 59 -1.180 -5.620 -5.208 1.00 0.64 N ATOM 932 CA ARG A 59 -2.288 -5.356 -6.170 1.00 0.70 C ATOM 933 C ARG A 59 -3.665 -5.591 -5.527 1.00 0.69 C ATOM 934 O ARG A 59 -4.042 -6.701 -5.209 1.00 1.01 O ATOM 935 CB ARG A 59 -2.095 -6.269 -7.376 1.00 0.83 C ATOM 936 CG ARG A 59 -2.102 -5.432 -8.646 1.00 1.43 C ATOM 937 CD ARG A 59 -3.538 -5.220 -9.104 1.00 2.11 C ATOM 938 NE ARG A 59 -4.140 -6.536 -9.471 1.00 2.52 N ATOM 939 CZ ARG A 59 -3.407 -7.451 -10.044 1.00 2.44 C ATOM 940 NH1 ARG A 59 -2.864 -7.214 -11.206 1.00 2.75 N ATOM 941 NH2 ARG A 59 -3.210 -8.599 -9.455 1.00 2.79 N ATOM 0 H ARG A 59 -1.018 -6.602 -4.986 1.00 0.64 H new ATOM 0 HA ARG A 59 -2.259 -4.310 -6.477 1.00 0.70 H new ATOM 0 HB2 ARG A 59 -1.153 -6.811 -7.289 1.00 0.83 H new ATOM 0 HB3 ARG A 59 -2.890 -7.014 -7.413 1.00 0.83 H new ATOM 0 HG2 ARG A 59 -1.621 -4.471 -8.464 1.00 1.43 H new ATOM 0 HG3 ARG A 59 -1.530 -5.932 -9.427 1.00 1.43 H new ATOM 0 HD2 ARG A 59 -4.119 -4.750 -8.310 1.00 2.11 H new ATOM 0 HD3 ARG A 59 -3.563 -4.545 -9.959 1.00 2.11 H new ATOM 0 HE ARG A 59 -5.124 -6.720 -9.274 1.00 2.52 H new ATOM 0 HH11 ARG A 59 -3.013 -6.315 -11.665 1.00 2.75 H new ATOM 0 HH12 ARG A 59 -2.291 -7.927 -11.656 1.00 2.75 H new ATOM 0 HH21 ARG A 59 -3.630 -8.783 -8.544 1.00 2.79 H new ATOM 0 HH22 ARG A 59 -2.636 -9.312 -9.906 1.00 2.79 H new ATOM 955 N VAL A 60 -4.421 -4.533 -5.365 1.00 0.63 N ATOM 956 CA VAL A 60 -5.792 -4.638 -4.776 1.00 0.63 C ATOM 957 C VAL A 60 -6.805 -4.552 -5.930 1.00 0.69 C ATOM 958 O VAL A 60 -6.605 -3.791 -6.864 1.00 0.87 O ATOM 959 CB VAL A 60 -6.032 -3.469 -3.798 1.00 0.67 C ATOM 960 CG1 VAL A 60 -7.313 -3.718 -2.999 1.00 1.33 C ATOM 961 CG2 VAL A 60 -4.853 -3.353 -2.827 1.00 1.56 C ATOM 0 H VAL A 60 -4.141 -3.586 -5.620 1.00 0.63 H new ATOM 0 HA VAL A 60 -5.901 -5.577 -4.234 1.00 0.63 H new ATOM 0 HB VAL A 60 -6.128 -2.546 -4.369 1.00 0.67 H new ATOM 0 HG11 VAL A 60 -7.479 -2.890 -2.310 1.00 1.33 H new ATOM 0 HG12 VAL A 60 -8.159 -3.796 -3.682 1.00 1.33 H new ATOM 0 HG13 VAL A 60 -7.216 -4.646 -2.435 1.00 1.33 H new ATOM 0 HG21 VAL A 60 -5.028 -2.526 -2.139 1.00 1.56 H new ATOM 0 HG22 VAL A 60 -4.754 -4.280 -2.262 1.00 1.56 H new ATOM 0 HG23 VAL A 60 -3.936 -3.170 -3.388 1.00 1.56 H new ATOM 971 N GLN A 61 -7.881 -5.316 -5.892 1.00 0.62 N ATOM 972 CA GLN A 61 -8.873 -5.261 -7.017 1.00 0.74 C ATOM 973 C GLN A 61 -10.174 -4.638 -6.526 1.00 0.81 C ATOM 974 O GLN A 61 -10.374 -4.457 -5.347 1.00 1.08 O ATOM 975 CB GLN A 61 -9.145 -6.690 -7.528 1.00 0.88 C ATOM 976 CG GLN A 61 -8.312 -6.972 -8.786 1.00 1.41 C ATOM 977 CD GLN A 61 -8.013 -8.470 -8.877 1.00 1.67 C ATOM 978 OE1 GLN A 61 -7.018 -8.936 -8.359 1.00 2.26 O ATOM 979 NE2 GLN A 61 -8.838 -9.250 -9.522 1.00 2.18 N ATOM 0 H GLN A 61 -8.110 -5.966 -5.140 1.00 0.62 H new ATOM 0 HA GLN A 61 -8.469 -4.654 -7.827 1.00 0.74 H new ATOM 0 HB2 GLN A 61 -8.900 -7.414 -6.751 1.00 0.88 H new ATOM 0 HB3 GLN A 61 -10.205 -6.808 -7.751 1.00 0.88 H new ATOM 0 HG2 GLN A 61 -8.853 -6.644 -9.674 1.00 1.41 H new ATOM 0 HG3 GLN A 61 -7.381 -6.406 -8.753 1.00 1.41 H new ATOM 0 HE21 GLN A 61 -9.674 -8.860 -9.957 1.00 2.18 H new ATOM 0 HE22 GLN A 61 -8.647 -10.250 -9.590 1.00 2.18 H new ATOM 988 N GLN A 62 -11.049 -4.298 -7.435 1.00 0.88 N ATOM 989 CA GLN A 62 -12.351 -3.681 -7.042 1.00 0.99 C ATOM 990 C GLN A 62 -13.505 -4.428 -7.720 1.00 1.11 C ATOM 991 O GLN A 62 -13.524 -4.595 -8.923 1.00 1.37 O ATOM 992 CB GLN A 62 -12.378 -2.204 -7.452 1.00 1.28 C ATOM 993 CG GLN A 62 -13.738 -1.596 -7.092 1.00 1.61 C ATOM 994 CD GLN A 62 -13.787 -0.142 -7.557 1.00 2.26 C ATOM 995 OE1 GLN A 62 -13.027 0.262 -8.414 1.00 2.64 O ATOM 996 NE2 GLN A 62 -14.657 0.669 -7.021 1.00 2.96 N ATOM 0 H GLN A 62 -10.917 -4.422 -8.439 1.00 0.88 H new ATOM 0 HA GLN A 62 -12.464 -3.751 -5.960 1.00 0.99 H new ATOM 0 HB2 GLN A 62 -11.580 -1.661 -6.946 1.00 1.28 H new ATOM 0 HB3 GLN A 62 -12.198 -2.110 -8.523 1.00 1.28 H new ATOM 0 HG2 GLN A 62 -14.539 -2.166 -7.563 1.00 1.61 H new ATOM 0 HG3 GLN A 62 -13.898 -1.650 -6.015 1.00 1.61 H new ATOM 0 HE21 GLN A 62 -15.295 0.329 -6.301 1.00 2.96 H new ATOM 0 HE22 GLN A 62 -14.699 1.643 -7.322 1.00 2.96 H new ATOM 1005 N GLU A 63 -14.475 -4.879 -6.957 1.00 1.15 N ATOM 1006 CA GLU A 63 -15.623 -5.606 -7.573 1.00 1.37 C ATOM 1007 C GLU A 63 -16.703 -4.604 -7.957 1.00 1.66 C ATOM 1008 O GLU A 63 -16.591 -3.421 -7.702 1.00 2.32 O ATOM 1009 CB GLU A 63 -16.198 -6.636 -6.586 1.00 1.56 C ATOM 1010 CG GLU A 63 -15.538 -8.005 -6.805 1.00 2.01 C ATOM 1011 CD GLU A 63 -16.619 -9.087 -6.877 1.00 2.48 C ATOM 1012 OE1 GLU A 63 -17.381 -9.074 -7.830 1.00 3.06 O ATOM 1013 OE2 GLU A 63 -16.665 -9.910 -5.977 1.00 2.80 O ATOM 0 H GLU A 63 -14.518 -4.774 -5.943 1.00 1.15 H new ATOM 0 HA GLU A 63 -15.276 -6.133 -8.462 1.00 1.37 H new ATOM 0 HB2 GLU A 63 -16.030 -6.303 -5.562 1.00 1.56 H new ATOM 0 HB3 GLU A 63 -17.276 -6.718 -6.722 1.00 1.56 H new ATOM 0 HG2 GLU A 63 -14.955 -7.996 -7.726 1.00 2.01 H new ATOM 0 HG3 GLU A 63 -14.846 -8.221 -5.991 1.00 2.01 H new ATOM 1020 N GLY A 64 -17.729 -5.082 -8.597 1.00 1.79 N ATOM 1021 CA GLY A 64 -18.843 -4.188 -9.052 1.00 2.14 C ATOM 1022 C GLY A 64 -19.385 -3.323 -7.906 1.00 1.97 C ATOM 1023 O GLY A 64 -19.837 -2.219 -8.134 1.00 2.54 O ATOM 0 H GLY A 64 -17.851 -6.067 -8.831 1.00 1.79 H new ATOM 0 HA2 GLY A 64 -18.487 -3.544 -9.856 1.00 2.14 H new ATOM 0 HA3 GLY A 64 -19.650 -4.794 -9.463 1.00 2.14 H new ATOM 1027 N GLN A 65 -19.366 -3.806 -6.686 1.00 1.78 N ATOM 1028 CA GLN A 65 -19.909 -2.981 -5.562 1.00 1.87 C ATOM 1029 C GLN A 65 -19.028 -3.083 -4.313 1.00 1.60 C ATOM 1030 O GLN A 65 -19.432 -2.677 -3.241 1.00 1.83 O ATOM 1031 CB GLN A 65 -21.321 -3.475 -5.215 1.00 2.02 C ATOM 1032 CG GLN A 65 -22.247 -2.286 -4.957 1.00 3.00 C ATOM 1033 CD GLN A 65 -23.702 -2.742 -5.088 1.00 3.50 C ATOM 1034 OE1 GLN A 65 -24.530 -2.028 -5.615 1.00 4.04 O ATOM 1035 NE2 GLN A 65 -24.048 -3.914 -4.628 1.00 3.85 N ATOM 0 H GLN A 65 -19.003 -4.722 -6.423 1.00 1.78 H new ATOM 0 HA GLN A 65 -19.930 -1.940 -5.884 1.00 1.87 H new ATOM 0 HB2 GLN A 65 -21.713 -4.081 -6.032 1.00 2.02 H new ATOM 0 HB3 GLN A 65 -21.284 -4.115 -4.333 1.00 2.02 H new ATOM 0 HG2 GLN A 65 -22.069 -1.881 -3.961 1.00 3.00 H new ATOM 0 HG3 GLN A 65 -22.039 -1.487 -5.668 1.00 3.00 H new ATOM 0 HE21 GLN A 65 -23.352 -4.514 -4.185 1.00 3.85 H new ATOM 0 HE22 GLN A 65 -25.014 -4.230 -4.712 1.00 3.85 H new ATOM 1044 N THR A 66 -17.847 -3.623 -4.411 1.00 1.36 N ATOM 1045 CA THR A 66 -17.008 -3.737 -3.205 1.00 1.25 C ATOM 1046 C THR A 66 -15.529 -3.729 -3.591 1.00 1.14 C ATOM 1047 O THR A 66 -15.161 -3.249 -4.644 1.00 1.26 O ATOM 1048 CB THR A 66 -17.354 -5.043 -2.544 1.00 1.21 C ATOM 1049 OG1 THR A 66 -18.647 -5.460 -2.965 1.00 1.60 O ATOM 1050 CG2 THR A 66 -17.329 -4.901 -1.020 1.00 1.55 C ATOM 0 H THR A 66 -17.435 -3.986 -5.271 1.00 1.36 H new ATOM 0 HA THR A 66 -17.187 -2.899 -2.531 1.00 1.25 H new ATOM 0 HB THR A 66 -16.614 -5.789 -2.834 1.00 1.21 H new ATOM 0 HG1 THR A 66 -18.872 -6.312 -2.536 1.00 1.60 H new ATOM 0 HG21 THR A 66 -17.582 -5.857 -0.561 1.00 1.55 H new ATOM 0 HG22 THR A 66 -16.333 -4.597 -0.699 1.00 1.55 H new ATOM 0 HG23 THR A 66 -18.055 -4.148 -0.713 1.00 1.55 H new ATOM 1058 N VAL A 67 -14.678 -4.264 -2.751 1.00 1.11 N ATOM 1059 CA VAL A 67 -13.232 -4.303 -3.078 1.00 1.01 C ATOM 1060 C VAL A 67 -12.663 -5.609 -2.573 1.00 0.85 C ATOM 1061 O VAL A 67 -13.038 -6.095 -1.537 1.00 0.96 O ATOM 1062 CB VAL A 67 -12.483 -3.146 -2.399 1.00 1.17 C ATOM 1063 CG1 VAL A 67 -12.323 -3.428 -0.901 1.00 1.66 C ATOM 1064 CG2 VAL A 67 -11.091 -2.998 -3.014 1.00 1.51 C ATOM 0 H VAL A 67 -14.930 -4.675 -1.852 1.00 1.11 H new ATOM 0 HA VAL A 67 -13.112 -4.211 -4.157 1.00 1.01 H new ATOM 0 HB VAL A 67 -13.057 -2.231 -2.544 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -11.791 -2.602 -0.430 1.00 1.66 H new ATOM 0 HG12 VAL A 67 -13.307 -3.534 -0.444 1.00 1.66 H new ATOM 0 HG13 VAL A 67 -11.757 -4.349 -0.763 1.00 1.66 H new ATOM 0 HG21 VAL A 67 -10.564 -2.176 -2.529 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -10.531 -3.922 -2.872 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -11.184 -2.790 -4.080 1.00 1.51 H new ATOM 1074 N MET A 68 -11.732 -6.145 -3.286 1.00 0.82 N ATOM 1075 CA MET A 68 -11.072 -7.401 -2.861 1.00 0.78 C ATOM 1076 C MET A 68 -9.693 -6.986 -2.406 1.00 0.65 C ATOM 1077 O MET A 68 -8.827 -6.682 -3.215 1.00 0.68 O ATOM 1078 CB MET A 68 -10.958 -8.384 -4.040 1.00 0.87 C ATOM 1079 CG MET A 68 -12.074 -9.434 -3.973 1.00 1.47 C ATOM 1080 SD MET A 68 -12.035 -10.444 -5.475 1.00 1.64 S ATOM 1081 CE MET A 68 -10.933 -11.739 -4.853 1.00 2.34 C ATOM 0 H MET A 68 -11.389 -5.760 -4.166 1.00 0.82 H new ATOM 0 HA MET A 68 -11.637 -7.906 -2.077 1.00 0.78 H new ATOM 0 HB2 MET A 68 -11.019 -7.840 -4.982 1.00 0.87 H new ATOM 0 HB3 MET A 68 -9.986 -8.876 -4.018 1.00 0.87 H new ATOM 0 HG2 MET A 68 -11.944 -10.064 -3.093 1.00 1.47 H new ATOM 0 HG3 MET A 68 -13.043 -8.946 -3.874 1.00 1.47 H new ATOM 0 HE1 MET A 68 -10.769 -12.483 -5.633 1.00 2.34 H new ATOM 0 HE2 MET A 68 -9.978 -11.298 -4.566 1.00 2.34 H new ATOM 0 HE3 MET A 68 -11.387 -12.217 -3.985 1.00 2.34 H new ATOM 1091 N LEU A 69 -9.483 -6.932 -1.124 1.00 0.64 N ATOM 1092 CA LEU A 69 -8.154 -6.495 -0.646 1.00 0.64 C ATOM 1093 C LEU A 69 -7.184 -7.640 -0.881 1.00 0.67 C ATOM 1094 O LEU A 69 -6.077 -7.448 -1.339 1.00 1.18 O ATOM 1095 CB LEU A 69 -8.226 -6.056 0.828 1.00 0.82 C ATOM 1096 CG LEU A 69 -6.829 -6.026 1.497 1.00 1.01 C ATOM 1097 CD1 LEU A 69 -6.369 -7.433 1.907 1.00 1.39 C ATOM 1098 CD2 LEU A 69 -5.753 -5.401 0.587 1.00 1.66 C ATOM 0 H LEU A 69 -10.162 -7.167 -0.400 1.00 0.64 H new ATOM 0 HA LEU A 69 -7.803 -5.621 -1.194 1.00 0.64 H new ATOM 0 HB2 LEU A 69 -8.678 -5.066 0.889 1.00 0.82 H new ATOM 0 HB3 LEU A 69 -8.876 -6.737 1.377 1.00 0.82 H new ATOM 0 HG LEU A 69 -6.941 -5.403 2.384 1.00 1.01 H new ATOM 0 HD11 LEU A 69 -5.385 -7.373 2.373 1.00 1.39 H new ATOM 0 HD12 LEU A 69 -7.081 -7.856 2.616 1.00 1.39 H new ATOM 0 HD13 LEU A 69 -6.314 -8.070 1.024 1.00 1.39 H new ATOM 0 HD21 LEU A 69 -4.793 -5.404 1.103 1.00 1.66 H new ATOM 0 HD22 LEU A 69 -5.672 -5.981 -0.332 1.00 1.66 H new ATOM 0 HD23 LEU A 69 -6.032 -4.375 0.346 1.00 1.66 H new ATOM 1110 N GLY A 70 -7.607 -8.838 -0.611 1.00 0.90 N ATOM 1111 CA GLY A 70 -6.728 -10.006 -0.848 1.00 1.03 C ATOM 1112 C GLY A 70 -7.463 -11.260 -0.389 1.00 1.10 C ATOM 1113 O GLY A 70 -7.782 -12.128 -1.178 1.00 1.30 O ATOM 0 H GLY A 70 -8.529 -9.058 -0.234 1.00 0.90 H new ATOM 0 HA2 GLY A 70 -6.473 -10.081 -1.905 1.00 1.03 H new ATOM 0 HA3 GLY A 70 -5.792 -9.893 -0.302 1.00 1.03 H new ATOM 1117 N ASN A 71 -7.741 -11.349 0.883 1.00 1.18 N ATOM 1118 CA ASN A 71 -8.470 -12.536 1.420 1.00 1.41 C ATOM 1119 C ASN A 71 -9.866 -12.114 1.923 1.00 1.44 C ATOM 1120 O ASN A 71 -10.595 -12.911 2.480 1.00 1.84 O ATOM 1121 CB ASN A 71 -7.654 -13.133 2.580 1.00 1.68 C ATOM 1122 CG ASN A 71 -8.322 -14.404 3.107 1.00 2.34 C ATOM 1123 OD1 ASN A 71 -8.830 -15.201 2.345 1.00 3.02 O ATOM 1124 ND2 ASN A 71 -8.345 -14.623 4.394 1.00 2.88 N ATOM 0 H ASN A 71 -7.493 -10.646 1.579 1.00 1.18 H new ATOM 0 HA ASN A 71 -8.594 -13.280 0.633 1.00 1.41 H new ATOM 0 HB2 ASN A 71 -6.643 -13.360 2.242 1.00 1.68 H new ATOM 0 HB3 ASN A 71 -7.565 -12.402 3.384 1.00 1.68 H new ATOM 0 HD21 ASN A 71 -8.790 -15.465 4.760 1.00 2.88 H new ATOM 0 HD22 ASN A 71 -7.918 -13.953 5.033 1.00 2.88 H new ATOM 1131 N SER A 72 -10.269 -10.878 1.736 1.00 1.19 N ATOM 1132 CA SER A 72 -11.605 -10.480 2.217 1.00 1.37 C ATOM 1133 C SER A 72 -12.125 -9.315 1.387 1.00 1.13 C ATOM 1134 O SER A 72 -11.374 -8.573 0.761 1.00 1.03 O ATOM 1135 CB SER A 72 -11.526 -10.076 3.692 1.00 1.72 C ATOM 1136 OG SER A 72 -12.040 -11.134 4.492 1.00 2.01 O ATOM 0 H SER A 72 -9.729 -10.145 1.276 1.00 1.19 H new ATOM 0 HA SER A 72 -12.289 -11.323 2.115 1.00 1.37 H new ATOM 0 HB2 SER A 72 -10.494 -9.863 3.969 1.00 1.72 H new ATOM 0 HB3 SER A 72 -12.097 -9.163 3.863 1.00 1.72 H new ATOM 0 HG SER A 72 -11.769 -11.995 4.110 1.00 2.01 H new ATOM 1142 N GLU A 73 -13.409 -9.149 1.395 1.00 1.14 N ATOM 1143 CA GLU A 73 -14.026 -8.035 0.637 1.00 1.00 C ATOM 1144 C GLU A 73 -14.225 -6.857 1.597 1.00 1.01 C ATOM 1145 O GLU A 73 -14.935 -6.985 2.575 1.00 1.20 O ATOM 1146 CB GLU A 73 -15.402 -8.474 0.091 1.00 1.19 C ATOM 1147 CG GLU A 73 -15.327 -8.875 -1.391 1.00 1.61 C ATOM 1148 CD GLU A 73 -15.603 -10.373 -1.529 1.00 2.13 C ATOM 1149 OE1 GLU A 73 -15.253 -11.107 -0.620 1.00 2.37 O ATOM 1150 OE2 GLU A 73 -16.167 -10.759 -2.539 1.00 2.91 O ATOM 0 H GLU A 73 -14.067 -9.743 1.900 1.00 1.14 H new ATOM 0 HA GLU A 73 -13.383 -7.751 -0.196 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -15.774 -9.315 0.677 1.00 1.19 H new ATOM 0 HB3 GLU A 73 -16.117 -7.660 0.212 1.00 1.19 H new ATOM 0 HG2 GLU A 73 -16.054 -8.306 -1.970 1.00 1.61 H new ATOM 0 HG3 GLU A 73 -14.342 -8.637 -1.794 1.00 1.61 H new ATOM 1157 N PHE A 74 -13.618 -5.714 1.347 1.00 1.00 N ATOM 1158 CA PHE A 74 -13.805 -4.570 2.281 1.00 1.16 C ATOM 1159 C PHE A 74 -14.818 -3.590 1.713 1.00 1.13 C ATOM 1160 O PHE A 74 -15.278 -3.717 0.595 1.00 1.42 O ATOM 1161 CB PHE A 74 -12.467 -3.890 2.561 1.00 1.36 C ATOM 1162 CG PHE A 74 -12.021 -4.300 3.945 1.00 2.23 C ATOM 1163 CD1 PHE A 74 -11.416 -5.547 4.141 1.00 2.94 C ATOM 1164 CD2 PHE A 74 -12.240 -3.450 5.037 1.00 2.93 C ATOM 1165 CE1 PHE A 74 -11.028 -5.944 5.424 1.00 3.96 C ATOM 1166 CE2 PHE A 74 -11.847 -3.846 6.321 1.00 3.97 C ATOM 1167 CZ PHE A 74 -11.245 -5.095 6.514 1.00 4.38 C ATOM 0 H PHE A 74 -13.012 -5.534 0.547 1.00 1.00 H new ATOM 0 HA PHE A 74 -14.194 -4.943 3.229 1.00 1.16 H new ATOM 0 HB2 PHE A 74 -11.726 -4.185 1.818 1.00 1.36 H new ATOM 0 HB3 PHE A 74 -12.569 -2.807 2.498 1.00 1.36 H new ATOM 0 HD1 PHE A 74 -11.249 -6.203 3.300 1.00 2.94 H new ATOM 0 HD2 PHE A 74 -12.712 -2.490 4.888 1.00 2.93 H new ATOM 0 HE1 PHE A 74 -10.561 -6.906 5.573 1.00 3.96 H new ATOM 0 HE2 PHE A 74 -12.008 -3.188 7.162 1.00 3.97 H new ATOM 0 HZ PHE A 74 -10.948 -5.403 7.506 1.00 4.38 H new ATOM 1177 N ASP A 75 -15.201 -2.641 2.506 1.00 1.12 N ATOM 1178 CA ASP A 75 -16.233 -1.659 2.066 1.00 1.34 C ATOM 1179 C ASP A 75 -15.609 -0.504 1.292 1.00 1.20 C ATOM 1180 O ASP A 75 -16.292 0.191 0.567 1.00 1.47 O ATOM 1181 CB ASP A 75 -16.976 -1.097 3.283 1.00 1.77 C ATOM 1182 CG ASP A 75 -18.412 -1.627 3.294 1.00 2.24 C ATOM 1183 OD1 ASP A 75 -18.604 -2.771 2.916 1.00 2.76 O ATOM 1184 OD2 ASP A 75 -19.295 -0.878 3.678 1.00 2.69 O ATOM 0 H ASP A 75 -14.844 -2.497 3.450 1.00 1.12 H new ATOM 0 HA ASP A 75 -16.928 -2.184 1.411 1.00 1.34 H new ATOM 0 HB2 ASP A 75 -16.463 -1.386 4.201 1.00 1.77 H new ATOM 0 HB3 ASP A 75 -16.979 -0.008 3.249 1.00 1.77 H new ATOM 1189 N SER A 76 -14.335 -0.279 1.432 1.00 1.04 N ATOM 1190 CA SER A 76 -13.710 0.856 0.694 1.00 1.31 C ATOM 1191 C SER A 76 -12.208 0.846 0.945 1.00 1.14 C ATOM 1192 O SER A 76 -11.721 0.133 1.790 1.00 1.12 O ATOM 1193 CB SER A 76 -14.298 2.183 1.191 1.00 1.60 C ATOM 1194 OG SER A 76 -14.148 2.262 2.601 1.00 1.57 O ATOM 0 H SER A 76 -13.703 -0.824 2.018 1.00 1.04 H new ATOM 0 HA SER A 76 -13.909 0.751 -0.372 1.00 1.31 H new ATOM 0 HB2 SER A 76 -13.791 3.021 0.712 1.00 1.60 H new ATOM 0 HB3 SER A 76 -15.352 2.251 0.921 1.00 1.60 H new ATOM 0 HG SER A 76 -14.521 3.109 2.923 1.00 1.57 H new ATOM 1200 N LEU A 77 -11.468 1.622 0.210 1.00 1.18 N ATOM 1201 CA LEU A 77 -9.990 1.634 0.412 1.00 1.11 C ATOM 1202 C LEU A 77 -9.617 2.408 1.687 1.00 0.95 C ATOM 1203 O LEU A 77 -8.524 2.260 2.195 1.00 0.88 O ATOM 1204 CB LEU A 77 -9.314 2.291 -0.801 1.00 1.31 C ATOM 1205 CG LEU A 77 -8.385 1.296 -1.503 1.00 1.08 C ATOM 1206 CD1 LEU A 77 -8.504 1.482 -3.012 1.00 1.70 C ATOM 1207 CD2 LEU A 77 -6.941 1.561 -1.076 1.00 1.70 C ATOM 0 H LEU A 77 -11.816 2.246 -0.518 1.00 1.18 H new ATOM 0 HA LEU A 77 -9.647 0.605 0.519 1.00 1.11 H new ATOM 0 HB2 LEU A 77 -10.072 2.645 -1.500 1.00 1.31 H new ATOM 0 HB3 LEU A 77 -8.745 3.163 -0.479 1.00 1.31 H new ATOM 0 HG LEU A 77 -8.665 0.278 -1.232 1.00 1.08 H new ATOM 0 HD11 LEU A 77 -7.845 0.777 -3.519 1.00 1.70 H new ATOM 0 HD12 LEU A 77 -9.534 1.302 -3.321 1.00 1.70 H new ATOM 0 HD13 LEU A 77 -8.218 2.500 -3.277 1.00 1.70 H new ATOM 0 HD21 LEU A 77 -6.278 0.854 -1.575 1.00 1.70 H new ATOM 0 HD22 LEU A 77 -6.661 2.577 -1.352 1.00 1.70 H new ATOM 0 HD23 LEU A 77 -6.853 1.441 0.004 1.00 1.70 H new ATOM 1219 N VAL A 78 -10.494 3.226 2.220 1.00 0.98 N ATOM 1220 CA VAL A 78 -10.132 3.972 3.454 1.00 0.93 C ATOM 1221 C VAL A 78 -10.460 3.125 4.677 1.00 0.87 C ATOM 1222 O VAL A 78 -9.715 3.104 5.632 1.00 0.85 O ATOM 1223 CB VAL A 78 -10.896 5.299 3.526 1.00 1.11 C ATOM 1224 CG1 VAL A 78 -10.898 5.816 4.970 1.00 1.47 C ATOM 1225 CG2 VAL A 78 -10.217 6.330 2.626 1.00 1.68 C ATOM 0 H VAL A 78 -11.430 3.404 1.856 1.00 0.98 H new ATOM 0 HA VAL A 78 -9.064 4.186 3.432 1.00 0.93 H new ATOM 0 HB VAL A 78 -11.922 5.140 3.193 1.00 1.11 H new ATOM 0 HG11 VAL A 78 -11.442 6.759 5.018 1.00 1.47 H new ATOM 0 HG12 VAL A 78 -11.382 5.085 5.618 1.00 1.47 H new ATOM 0 HG13 VAL A 78 -9.872 5.972 5.302 1.00 1.47 H new ATOM 0 HG21 VAL A 78 -10.761 7.273 2.678 1.00 1.68 H new ATOM 0 HG22 VAL A 78 -9.191 6.484 2.959 1.00 1.68 H new ATOM 0 HG23 VAL A 78 -10.214 5.969 1.597 1.00 1.68 H new ATOM 1235 N ASP A 79 -11.548 2.400 4.655 1.00 0.90 N ATOM 1236 CA ASP A 79 -11.861 1.534 5.818 1.00 0.89 C ATOM 1237 C ASP A 79 -10.881 0.364 5.778 1.00 0.78 C ATOM 1238 O ASP A 79 -10.533 -0.229 6.801 1.00 0.75 O ATOM 1239 CB ASP A 79 -13.300 1.010 5.735 1.00 1.04 C ATOM 1240 CG ASP A 79 -14.130 1.627 6.863 1.00 1.52 C ATOM 1241 OD1 ASP A 79 -13.828 2.744 7.251 1.00 2.10 O ATOM 1242 OD2 ASP A 79 -15.050 0.971 7.322 1.00 1.98 O ATOM 0 H ASP A 79 -12.222 2.373 3.890 1.00 0.90 H new ATOM 0 HA ASP A 79 -11.769 2.097 6.747 1.00 0.89 H new ATOM 0 HB2 ASP A 79 -13.736 1.262 4.768 1.00 1.04 H new ATOM 0 HB3 ASP A 79 -13.308 -0.077 5.815 1.00 1.04 H new ATOM 1247 N LEU A 80 -10.396 0.062 4.592 1.00 0.77 N ATOM 1248 CA LEU A 80 -9.421 -1.029 4.435 1.00 0.75 C ATOM 1249 C LEU A 80 -8.199 -0.636 5.223 1.00 0.65 C ATOM 1250 O LEU A 80 -7.737 -1.365 6.051 1.00 0.70 O ATOM 1251 CB LEU A 80 -9.038 -1.144 2.948 1.00 0.88 C ATOM 1252 CG LEU A 80 -9.334 -2.537 2.371 1.00 1.01 C ATOM 1253 CD1 LEU A 80 -8.599 -2.671 1.036 1.00 1.88 C ATOM 1254 CD2 LEU A 80 -8.841 -3.633 3.324 1.00 1.84 C ATOM 0 H LEU A 80 -10.648 0.540 3.727 1.00 0.77 H new ATOM 0 HA LEU A 80 -9.828 -1.980 4.779 1.00 0.75 H new ATOM 0 HB2 LEU A 80 -9.584 -0.394 2.376 1.00 0.88 H new ATOM 0 HB3 LEU A 80 -7.977 -0.924 2.831 1.00 0.88 H new ATOM 0 HG LEU A 80 -10.410 -2.650 2.237 1.00 1.01 H new ATOM 0 HD11 LEU A 80 -8.796 -3.654 0.609 1.00 1.88 H new ATOM 0 HD12 LEU A 80 -8.949 -1.900 0.349 1.00 1.88 H new ATOM 0 HD13 LEU A 80 -7.527 -2.554 1.197 1.00 1.88 H new ATOM 0 HD21 LEU A 80 -9.060 -4.612 2.897 1.00 1.84 H new ATOM 0 HD22 LEU A 80 -7.765 -3.533 3.469 1.00 1.84 H new ATOM 0 HD23 LEU A 80 -9.347 -3.535 4.284 1.00 1.84 H new ATOM 1266 N ILE A 81 -7.687 0.533 4.961 1.00 0.63 N ATOM 1267 CA ILE A 81 -6.480 1.008 5.683 1.00 0.71 C ATOM 1268 C ILE A 81 -6.815 1.323 7.147 1.00 0.74 C ATOM 1269 O ILE A 81 -5.954 1.302 8.001 1.00 0.83 O ATOM 1270 CB ILE A 81 -5.962 2.266 4.973 1.00 0.88 C ATOM 1271 CG1 ILE A 81 -4.885 1.877 3.953 1.00 1.10 C ATOM 1272 CG2 ILE A 81 -5.364 3.225 5.993 1.00 1.12 C ATOM 1273 CD1 ILE A 81 -5.435 0.868 2.935 1.00 1.17 C ATOM 0 H ILE A 81 -8.059 1.185 4.270 1.00 0.63 H new ATOM 0 HA ILE A 81 -5.715 0.231 5.677 1.00 0.71 H new ATOM 0 HB ILE A 81 -6.792 2.752 4.461 1.00 0.88 H new ATOM 0 HG12 ILE A 81 -4.531 2.768 3.434 1.00 1.10 H new ATOM 0 HG13 ILE A 81 -4.027 1.447 4.470 1.00 1.10 H new ATOM 0 HG21 ILE A 81 -4.998 4.116 5.483 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -6.128 3.509 6.717 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -4.538 2.737 6.510 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -4.653 0.607 2.222 1.00 1.17 H new ATOM 0 HD12 ILE A 81 -5.766 -0.031 3.456 1.00 1.17 H new ATOM 0 HD13 ILE A 81 -6.278 1.310 2.403 1.00 1.17 H new ATOM 1285 N SER A 82 -8.050 1.609 7.451 1.00 0.76 N ATOM 1286 CA SER A 82 -8.399 1.928 8.875 1.00 0.92 C ATOM 1287 C SER A 82 -8.133 0.716 9.762 1.00 0.87 C ATOM 1288 O SER A 82 -7.360 0.789 10.698 1.00 0.99 O ATOM 1289 CB SER A 82 -9.867 2.344 9.009 1.00 1.04 C ATOM 1290 OG SER A 82 -10.055 2.979 10.267 1.00 1.43 O ATOM 0 H SER A 82 -8.827 1.637 6.790 1.00 0.76 H new ATOM 0 HA SER A 82 -7.774 2.762 9.193 1.00 0.92 H new ATOM 0 HB2 SER A 82 -10.142 3.021 8.200 1.00 1.04 H new ATOM 0 HB3 SER A 82 -10.515 1.471 8.927 1.00 1.04 H new ATOM 0 HG SER A 82 -10.992 3.250 10.360 1.00 1.43 H new ATOM 1296 N TYR A 83 -8.745 -0.403 9.490 1.00 0.79 N ATOM 1297 CA TYR A 83 -8.469 -1.596 10.364 1.00 0.81 C ATOM 1298 C TYR A 83 -7.092 -2.198 10.012 1.00 0.69 C ATOM 1299 O TYR A 83 -6.547 -3.025 10.727 1.00 0.75 O ATOM 1300 CB TYR A 83 -9.545 -2.667 10.167 1.00 0.92 C ATOM 1301 CG TYR A 83 -9.050 -3.662 9.150 1.00 0.96 C ATOM 1302 CD1 TYR A 83 -8.933 -3.279 7.814 1.00 1.29 C ATOM 1303 CD2 TYR A 83 -8.683 -4.954 9.545 1.00 1.19 C ATOM 1304 CE1 TYR A 83 -8.450 -4.185 6.865 1.00 1.61 C ATOM 1305 CE2 TYR A 83 -8.205 -5.865 8.596 1.00 1.49 C ATOM 1306 CZ TYR A 83 -8.086 -5.478 7.255 1.00 1.63 C ATOM 1307 OH TYR A 83 -7.609 -6.372 6.319 1.00 2.06 O ATOM 0 H TYR A 83 -9.406 -0.550 8.727 1.00 0.79 H new ATOM 0 HA TYR A 83 -8.475 -1.267 11.403 1.00 0.81 H new ATOM 0 HB2 TYR A 83 -9.760 -3.166 11.112 1.00 0.92 H new ATOM 0 HB3 TYR A 83 -10.476 -2.211 9.829 1.00 0.92 H new ATOM 0 HD1 TYR A 83 -9.216 -2.281 7.512 1.00 1.29 H new ATOM 0 HD2 TYR A 83 -8.769 -5.247 10.581 1.00 1.19 H new ATOM 0 HE1 TYR A 83 -8.358 -3.887 5.831 1.00 1.61 H new ATOM 0 HE2 TYR A 83 -7.928 -6.865 8.897 1.00 1.49 H new ATOM 0 HH TYR A 83 -7.402 -7.224 6.756 1.00 2.06 H new ATOM 1317 N TYR A 84 -6.535 -1.782 8.912 1.00 0.66 N ATOM 1318 CA TYR A 84 -5.211 -2.293 8.458 1.00 0.71 C ATOM 1319 C TYR A 84 -4.099 -1.475 9.165 1.00 0.85 C ATOM 1320 O TYR A 84 -2.974 -1.905 9.300 1.00 0.98 O ATOM 1321 CB TYR A 84 -5.260 -2.128 6.929 1.00 0.86 C ATOM 1322 CG TYR A 84 -3.983 -2.374 6.182 1.00 1.76 C ATOM 1323 CD1 TYR A 84 -2.915 -3.037 6.755 1.00 2.44 C ATOM 1324 CD2 TYR A 84 -3.902 -1.920 4.857 1.00 2.56 C ATOM 1325 CE1 TYR A 84 -1.753 -3.235 6.024 1.00 3.46 C ATOM 1326 CE2 TYR A 84 -2.744 -2.122 4.118 1.00 3.55 C ATOM 1327 CZ TYR A 84 -1.665 -2.778 4.699 1.00 3.89 C ATOM 1328 OH TYR A 84 -0.515 -2.978 3.970 1.00 4.98 O ATOM 0 H TYR A 84 -6.953 -1.090 8.291 1.00 0.66 H new ATOM 0 HA TYR A 84 -4.995 -3.332 8.706 1.00 0.71 H new ATOM 0 HB2 TYR A 84 -6.019 -2.806 6.538 1.00 0.86 H new ATOM 0 HB3 TYR A 84 -5.594 -1.114 6.707 1.00 0.86 H new ATOM 0 HD1 TYR A 84 -2.985 -3.400 7.770 1.00 2.44 H new ATOM 0 HD2 TYR A 84 -4.744 -1.411 4.410 1.00 2.56 H new ATOM 0 HE1 TYR A 84 -0.913 -3.742 6.475 1.00 3.46 H new ATOM 0 HE2 TYR A 84 -2.682 -1.772 3.098 1.00 3.55 H new ATOM 0 HH TYR A 84 0.257 -2.990 4.574 1.00 4.98 H new ATOM 1338 N GLU A 85 -4.419 -0.329 9.706 1.00 0.93 N ATOM 1339 CA GLU A 85 -3.373 0.428 10.465 1.00 1.21 C ATOM 1340 C GLU A 85 -2.992 -0.412 11.686 1.00 1.28 C ATOM 1341 O GLU A 85 -1.919 -0.273 12.239 1.00 1.57 O ATOM 1342 CB GLU A 85 -3.910 1.785 10.961 1.00 1.32 C ATOM 1343 CG GLU A 85 -3.889 2.832 9.841 1.00 2.03 C ATOM 1344 CD GLU A 85 -3.684 4.225 10.445 1.00 2.48 C ATOM 1345 OE1 GLU A 85 -3.589 4.319 11.658 1.00 2.55 O ATOM 1346 OE2 GLU A 85 -3.629 5.175 9.682 1.00 3.19 O ATOM 0 H GLU A 85 -5.338 0.111 9.659 1.00 0.93 H new ATOM 0 HA GLU A 85 -2.521 0.614 9.811 1.00 1.21 H new ATOM 0 HB2 GLU A 85 -4.929 1.663 11.330 1.00 1.32 H new ATOM 0 HB3 GLU A 85 -3.307 2.133 11.800 1.00 1.32 H new ATOM 0 HG2 GLU A 85 -3.089 2.609 9.136 1.00 2.03 H new ATOM 0 HG3 GLU A 85 -4.824 2.801 9.282 1.00 2.03 H new ATOM 1353 N LYS A 86 -3.876 -1.286 12.106 1.00 1.11 N ATOM 1354 CA LYS A 86 -3.586 -2.144 13.292 1.00 1.28 C ATOM 1355 C LYS A 86 -3.245 -3.568 12.844 1.00 1.21 C ATOM 1356 O LYS A 86 -2.472 -4.255 13.481 1.00 1.48 O ATOM 1357 CB LYS A 86 -4.817 -2.193 14.209 1.00 1.40 C ATOM 1358 CG LYS A 86 -4.508 -1.518 15.547 1.00 2.00 C ATOM 1359 CD LYS A 86 -5.779 -1.505 16.406 1.00 2.30 C ATOM 1360 CE LYS A 86 -5.609 -0.549 17.592 1.00 2.75 C ATOM 1361 NZ LYS A 86 -5.071 0.755 17.112 1.00 3.20 N ATOM 0 H LYS A 86 -4.788 -1.440 11.675 1.00 1.11 H new ATOM 0 HA LYS A 86 -2.738 -1.720 13.830 1.00 1.28 H new ATOM 0 HB2 LYS A 86 -5.658 -1.694 13.728 1.00 1.40 H new ATOM 0 HB3 LYS A 86 -5.114 -3.228 14.376 1.00 1.40 H new ATOM 0 HG2 LYS A 86 -3.711 -2.053 16.063 1.00 2.00 H new ATOM 0 HG3 LYS A 86 -4.155 -0.500 15.382 1.00 2.00 H new ATOM 0 HD2 LYS A 86 -6.632 -1.197 15.801 1.00 2.30 H new ATOM 0 HD3 LYS A 86 -5.992 -2.511 16.768 1.00 2.30 H new ATOM 0 HE2 LYS A 86 -6.567 -0.397 18.090 1.00 2.75 H new ATOM 0 HE3 LYS A 86 -4.933 -0.984 18.328 1.00 2.75 H new ATOM 0 HZ1 LYS A 86 -5.342 1.508 17.776 1.00 3.20 H new ATOM 0 HZ2 LYS A 86 -4.034 0.702 17.053 1.00 3.20 H new ATOM 0 HZ3 LYS A 86 -5.461 0.966 16.171 1.00 3.20 H new ATOM 1375 N HIS A 87 -3.824 -4.025 11.764 1.00 0.93 N ATOM 1376 CA HIS A 87 -3.528 -5.428 11.306 1.00 0.90 C ATOM 1377 C HIS A 87 -2.422 -5.439 10.237 1.00 0.85 C ATOM 1378 O HIS A 87 -2.179 -4.454 9.583 1.00 0.88 O ATOM 1379 CB HIS A 87 -4.795 -6.056 10.715 1.00 0.93 C ATOM 1380 CG HIS A 87 -5.570 -6.742 11.809 1.00 1.38 C ATOM 1381 ND1 HIS A 87 -5.418 -8.092 12.085 1.00 2.16 N ATOM 1382 CD2 HIS A 87 -6.506 -6.281 12.705 1.00 2.00 C ATOM 1383 CE1 HIS A 87 -6.239 -8.394 13.107 1.00 2.62 C ATOM 1384 NE2 HIS A 87 -6.925 -7.326 13.523 1.00 2.51 N ATOM 0 H HIS A 87 -4.480 -3.502 11.183 1.00 0.93 H new ATOM 0 HA HIS A 87 -3.190 -6.001 12.169 1.00 0.90 H new ATOM 0 HB2 HIS A 87 -5.410 -5.288 10.245 1.00 0.93 H new ATOM 0 HB3 HIS A 87 -4.530 -6.772 9.937 1.00 0.93 H new ATOM 0 HD2 HIS A 87 -6.862 -5.263 12.765 1.00 2.00 H new ATOM 0 HE1 HIS A 87 -6.332 -9.380 13.538 1.00 2.62 H new ATOM 0 HE2 HIS A 87 -7.609 -7.285 14.278 1.00 2.51 H new ATOM 1392 N PRO A 88 -1.810 -6.589 10.082 1.00 0.84 N ATOM 1393 CA PRO A 88 -0.735 -6.873 9.079 1.00 0.84 C ATOM 1394 C PRO A 88 -1.331 -6.978 7.673 1.00 0.81 C ATOM 1395 O PRO A 88 -2.529 -7.074 7.495 1.00 0.87 O ATOM 1396 CB PRO A 88 -0.107 -8.199 9.511 1.00 0.93 C ATOM 1397 CG PRO A 88 -1.153 -8.900 10.378 1.00 0.97 C ATOM 1398 CD PRO A 88 -2.085 -7.801 10.902 1.00 0.91 C ATOM 0 HA PRO A 88 0.009 -6.077 9.043 1.00 0.84 H new ATOM 0 HB2 PRO A 88 0.153 -8.808 8.645 1.00 0.93 H new ATOM 0 HB3 PRO A 88 0.813 -8.031 10.070 1.00 0.93 H new ATOM 0 HG2 PRO A 88 -1.708 -9.637 9.798 1.00 0.97 H new ATOM 0 HG3 PRO A 88 -0.680 -9.434 11.202 1.00 0.97 H new ATOM 0 HD2 PRO A 88 -3.129 -8.102 10.812 1.00 0.91 H new ATOM 0 HD3 PRO A 88 -1.899 -7.605 11.958 1.00 0.91 H new ATOM 1406 N LEU A 89 -0.487 -6.941 6.678 1.00 0.83 N ATOM 1407 CA LEU A 89 -0.958 -7.014 5.261 1.00 0.82 C ATOM 1408 C LEU A 89 -0.417 -8.261 4.611 1.00 0.75 C ATOM 1409 O LEU A 89 -1.135 -9.095 4.107 1.00 0.83 O ATOM 1410 CB LEU A 89 -0.380 -5.832 4.480 1.00 0.88 C ATOM 1411 CG LEU A 89 -0.919 -5.833 3.051 1.00 1.17 C ATOM 1412 CD1 LEU A 89 -2.289 -5.150 3.010 1.00 1.75 C ATOM 1413 CD2 LEU A 89 0.053 -5.091 2.126 1.00 1.80 C ATOM 0 H LEU A 89 0.524 -6.862 6.787 1.00 0.83 H new ATOM 0 HA LEU A 89 -2.048 -7.007 5.255 1.00 0.82 H new ATOM 0 HB2 LEU A 89 -0.641 -4.897 4.975 1.00 0.88 H new ATOM 0 HB3 LEU A 89 0.708 -5.892 4.466 1.00 0.88 H new ATOM 0 HG LEU A 89 -1.021 -6.864 2.712 1.00 1.17 H new ATOM 0 HD11 LEU A 89 -2.667 -5.154 1.988 1.00 1.75 H new ATOM 0 HD12 LEU A 89 -2.983 -5.688 3.656 1.00 1.75 H new ATOM 0 HD13 LEU A 89 -2.193 -4.121 3.357 1.00 1.75 H new ATOM 0 HD21 LEU A 89 -0.338 -5.096 1.108 1.00 1.80 H new ATOM 0 HD22 LEU A 89 0.166 -4.062 2.467 1.00 1.80 H new ATOM 0 HD23 LEU A 89 1.023 -5.587 2.144 1.00 1.80 H new ATOM 1425 N TYR A 90 0.864 -8.356 4.618 1.00 0.71 N ATOM 1426 CA TYR A 90 1.557 -9.507 4.009 1.00 0.71 C ATOM 1427 C TYR A 90 2.141 -10.296 5.177 1.00 0.76 C ATOM 1428 O TYR A 90 1.722 -10.129 6.306 1.00 1.11 O ATOM 1429 CB TYR A 90 2.646 -8.961 3.049 1.00 0.74 C ATOM 1430 CG TYR A 90 3.040 -9.991 2.011 1.00 0.93 C ATOM 1431 CD1 TYR A 90 2.067 -10.741 1.343 1.00 1.49 C ATOM 1432 CD2 TYR A 90 4.393 -10.194 1.724 1.00 1.11 C ATOM 1433 CE1 TYR A 90 2.449 -11.695 0.391 1.00 2.10 C ATOM 1434 CE2 TYR A 90 4.775 -11.148 0.776 1.00 1.66 C ATOM 1435 CZ TYR A 90 3.803 -11.901 0.111 1.00 2.14 C ATOM 1436 OH TYR A 90 4.180 -12.842 -0.825 1.00 2.81 O ATOM 0 H TYR A 90 1.485 -7.662 5.034 1.00 0.71 H new ATOM 0 HA TYR A 90 0.909 -10.155 3.419 1.00 0.71 H new ATOM 0 HB2 TYR A 90 2.277 -8.064 2.551 1.00 0.74 H new ATOM 0 HB3 TYR A 90 3.525 -8.668 3.623 1.00 0.74 H new ATOM 0 HD1 TYR A 90 1.021 -10.585 1.561 1.00 1.49 H new ATOM 0 HD2 TYR A 90 5.145 -9.612 2.236 1.00 1.11 H new ATOM 0 HE1 TYR A 90 1.697 -12.272 -0.127 1.00 2.10 H new ATOM 0 HE2 TYR A 90 5.821 -11.303 0.557 1.00 1.66 H new ATOM 0 HH TYR A 90 5.157 -12.857 -0.899 1.00 2.81 H new ATOM 1446 N ARG A 91 3.063 -11.158 4.942 1.00 0.86 N ATOM 1447 CA ARG A 91 3.630 -11.957 6.061 1.00 0.93 C ATOM 1448 C ARG A 91 4.642 -11.144 6.909 1.00 1.18 C ATOM 1449 O ARG A 91 5.493 -11.732 7.547 1.00 1.89 O ATOM 1450 CB ARG A 91 4.352 -13.197 5.503 1.00 1.33 C ATOM 1451 CG ARG A 91 3.351 -14.298 5.133 1.00 2.06 C ATOM 1452 CD ARG A 91 2.340 -13.774 4.107 1.00 2.68 C ATOM 1453 NE ARG A 91 1.720 -14.908 3.350 1.00 3.58 N ATOM 1454 CZ ARG A 91 2.424 -15.950 3.000 1.00 4.36 C ATOM 1455 NH1 ARG A 91 3.616 -15.794 2.499 1.00 4.92 N ATOM 1456 NH2 ARG A 91 1.931 -17.148 3.148 1.00 4.97 N ATOM 0 H ARG A 91 3.459 -11.354 4.022 1.00 0.86 H new ATOM 0 HA ARG A 91 2.796 -12.246 6.701 1.00 0.93 H new ATOM 0 HB2 ARG A 91 4.933 -12.919 4.624 1.00 1.33 H new ATOM 0 HB3 ARG A 91 5.057 -13.576 6.244 1.00 1.33 H new ATOM 0 HG2 ARG A 91 3.881 -15.159 4.725 1.00 2.06 H new ATOM 0 HG3 ARG A 91 2.829 -14.640 6.027 1.00 2.06 H new ATOM 0 HD2 ARG A 91 1.564 -13.201 4.614 1.00 2.68 H new ATOM 0 HD3 ARG A 91 2.836 -13.095 3.413 1.00 2.68 H new ATOM 0 HE ARG A 91 0.731 -14.865 3.104 1.00 3.58 H new ATOM 0 HH11 ARG A 91 4.000 -14.857 2.380 1.00 4.92 H new ATOM 0 HH12 ARG A 91 4.165 -16.609 2.226 1.00 4.92 H new ATOM 0 HH21 ARG A 91 0.996 -17.270 3.537 1.00 4.97 H new ATOM 0 HH22 ARG A 91 2.480 -17.963 2.875 1.00 4.97 H new ATOM 1470 N LYS A 92 4.576 -9.820 6.963 1.00 1.06 N ATOM 1471 CA LYS A 92 5.556 -9.084 7.800 1.00 1.47 C ATOM 1472 C LYS A 92 5.315 -7.569 7.773 1.00 1.35 C ATOM 1473 O LYS A 92 5.415 -6.908 8.789 1.00 1.89 O ATOM 1474 CB LYS A 92 6.986 -9.370 7.318 1.00 2.05 C ATOM 1475 CG LYS A 92 6.983 -9.677 5.812 1.00 2.25 C ATOM 1476 CD LYS A 92 8.286 -9.181 5.170 1.00 2.86 C ATOM 1477 CE LYS A 92 9.061 -10.368 4.589 1.00 3.24 C ATOM 1478 NZ LYS A 92 9.316 -11.369 5.664 1.00 3.90 N ATOM 0 H LYS A 92 3.895 -9.243 6.469 1.00 1.06 H new ATOM 0 HA LYS A 92 5.426 -9.433 8.824 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.625 -8.511 7.521 1.00 2.05 H new ATOM 0 HB3 LYS A 92 7.402 -10.214 7.868 1.00 2.05 H new ATOM 0 HG2 LYS A 92 6.875 -10.750 5.652 1.00 2.25 H new ATOM 0 HG3 LYS A 92 6.128 -9.196 5.337 1.00 2.25 H new ATOM 0 HD2 LYS A 92 8.063 -8.460 4.384 1.00 2.86 H new ATOM 0 HD3 LYS A 92 8.895 -8.665 5.912 1.00 2.86 H new ATOM 0 HE2 LYS A 92 8.493 -10.825 3.779 1.00 3.24 H new ATOM 0 HE3 LYS A 92 10.005 -10.027 4.164 1.00 3.24 H new ATOM 0 HZ1 LYS A 92 10.243 -11.815 5.510 1.00 3.90 H new ATOM 0 HZ2 LYS A 92 9.310 -10.894 6.589 1.00 3.90 H new ATOM 0 HZ3 LYS A 92 8.574 -12.097 5.644 1.00 3.90 H new ATOM 1492 N MET A 93 5.048 -6.998 6.634 1.00 1.22 N ATOM 1493 CA MET A 93 4.866 -5.523 6.580 1.00 1.22 C ATOM 1494 C MET A 93 3.453 -5.101 6.962 1.00 1.21 C ATOM 1495 O MET A 93 2.535 -5.887 7.024 1.00 1.42 O ATOM 1496 CB MET A 93 5.173 -5.006 5.174 1.00 1.66 C ATOM 1497 CG MET A 93 6.617 -4.506 5.116 1.00 2.00 C ATOM 1498 SD MET A 93 7.739 -5.866 5.522 1.00 2.85 S ATOM 1499 CE MET A 93 8.728 -4.977 6.750 1.00 3.44 C ATOM 0 H MET A 93 4.948 -7.485 5.743 1.00 1.22 H new ATOM 0 HA MET A 93 5.558 -5.092 7.304 1.00 1.22 H new ATOM 0 HB2 MET A 93 5.023 -5.800 4.443 1.00 1.66 H new ATOM 0 HB3 MET A 93 4.487 -4.199 4.914 1.00 1.66 H new ATOM 0 HG2 MET A 93 6.840 -4.120 4.121 1.00 2.00 H new ATOM 0 HG3 MET A 93 6.757 -3.683 5.816 1.00 2.00 H new ATOM 0 HE1 MET A 93 9.723 -5.418 6.804 1.00 3.44 H new ATOM 0 HE2 MET A 93 8.811 -3.929 6.461 1.00 3.44 H new ATOM 0 HE3 MET A 93 8.246 -5.048 7.725 1.00 3.44 H new ATOM 1509 N LYS A 94 3.309 -3.831 7.215 1.00 1.15 N ATOM 1510 CA LYS A 94 1.990 -3.238 7.601 1.00 1.42 C ATOM 1511 C LYS A 94 2.048 -1.755 7.229 1.00 1.49 C ATOM 1512 O LYS A 94 2.931 -1.326 6.514 1.00 2.21 O ATOM 1513 CB LYS A 94 1.759 -3.349 9.129 1.00 1.65 C ATOM 1514 CG LYS A 94 2.521 -4.538 9.737 1.00 1.68 C ATOM 1515 CD LYS A 94 2.562 -4.390 11.265 1.00 2.08 C ATOM 1516 CE LYS A 94 2.003 -5.651 11.933 1.00 1.94 C ATOM 1517 NZ LYS A 94 2.922 -6.077 13.027 1.00 2.19 N ATOM 0 H LYS A 94 4.072 -3.156 7.170 1.00 1.15 H new ATOM 0 HA LYS A 94 1.182 -3.764 7.092 1.00 1.42 H new ATOM 0 HB2 LYS A 94 2.079 -2.426 9.613 1.00 1.65 H new ATOM 0 HB3 LYS A 94 0.693 -3.460 9.328 1.00 1.65 H new ATOM 0 HG2 LYS A 94 2.034 -5.474 9.464 1.00 1.68 H new ATOM 0 HG3 LYS A 94 3.534 -4.578 9.337 1.00 1.68 H new ATOM 0 HD2 LYS A 94 3.587 -4.219 11.594 1.00 2.08 H new ATOM 0 HD3 LYS A 94 1.980 -3.520 11.569 1.00 2.08 H new ATOM 0 HE2 LYS A 94 1.009 -5.454 12.334 1.00 1.94 H new ATOM 0 HE3 LYS A 94 1.898 -6.450 11.199 1.00 1.94 H new ATOM 0 HZ1 LYS A 94 2.546 -6.933 13.483 1.00 2.19 H new ATOM 0 HZ2 LYS A 94 3.862 -6.280 12.631 1.00 2.19 H new ATOM 0 HZ3 LYS A 94 3.000 -5.316 13.731 1.00 2.19 H new ATOM 1531 N LEU A 95 1.175 -0.956 7.779 1.00 1.34 N ATOM 1532 CA LEU A 95 1.243 0.519 7.540 1.00 1.55 C ATOM 1533 C LEU A 95 1.931 1.110 8.747 1.00 1.73 C ATOM 1534 O LEU A 95 1.555 2.127 9.298 1.00 2.19 O ATOM 1535 CB LEU A 95 -0.154 1.138 7.380 1.00 2.13 C ATOM 1536 CG LEU A 95 -0.509 1.196 5.901 1.00 2.22 C ATOM 1537 CD1 LEU A 95 -1.336 -0.010 5.541 1.00 2.67 C ATOM 1538 CD2 LEU A 95 -1.316 2.457 5.592 1.00 2.73 C ATOM 0 H LEU A 95 0.414 -1.260 8.386 1.00 1.34 H new ATOM 0 HA LEU A 95 1.782 0.726 6.616 1.00 1.55 H new ATOM 0 HB2 LEU A 95 -0.892 0.545 7.920 1.00 2.13 H new ATOM 0 HB3 LEU A 95 -0.173 2.139 7.810 1.00 2.13 H new ATOM 0 HG LEU A 95 0.414 1.211 5.321 1.00 2.22 H new ATOM 0 HD11 LEU A 95 -1.593 0.028 4.482 1.00 2.67 H new ATOM 0 HD12 LEU A 95 -0.765 -0.916 5.744 1.00 2.67 H new ATOM 0 HD13 LEU A 95 -2.249 -0.015 6.136 1.00 2.67 H new ATOM 0 HD21 LEU A 95 -1.561 2.481 4.530 1.00 2.73 H new ATOM 0 HD22 LEU A 95 -2.236 2.452 6.176 1.00 2.73 H new ATOM 0 HD23 LEU A 95 -0.727 3.338 5.849 1.00 2.73 H new ATOM 1550 N ARG A 96 2.949 0.444 9.152 1.00 1.62 N ATOM 1551 CA ARG A 96 3.723 0.879 10.317 1.00 2.18 C ATOM 1552 C ARG A 96 4.862 1.790 9.869 1.00 1.85 C ATOM 1553 O ARG A 96 5.537 2.370 10.695 1.00 2.38 O ATOM 1554 CB ARG A 96 4.296 -0.343 11.014 1.00 2.80 C ATOM 1555 CG ARG A 96 4.807 0.067 12.390 1.00 3.29 C ATOM 1556 CD ARG A 96 3.966 -0.603 13.470 1.00 3.45 C ATOM 1557 NE ARG A 96 4.624 -0.302 14.782 1.00 3.79 N ATOM 1558 CZ ARG A 96 4.401 -1.005 15.854 1.00 4.13 C ATOM 1559 NH1 ARG A 96 3.430 -1.882 15.896 1.00 4.46 N ATOM 1560 NH2 ARG A 96 5.166 -0.837 16.895 1.00 4.55 N ATOM 0 H ARG A 96 3.288 -0.411 8.711 1.00 1.62 H new ATOM 0 HA ARG A 96 3.076 1.427 11.002 1.00 2.18 H new ATOM 0 HB2 ARG A 96 3.532 -1.115 11.110 1.00 2.80 H new ATOM 0 HB3 ARG A 96 5.107 -0.769 10.422 1.00 2.80 H new ATOM 0 HG2 ARG A 96 5.853 -0.219 12.500 1.00 3.29 H new ATOM 0 HG3 ARG A 96 4.760 1.151 12.498 1.00 3.29 H new ATOM 0 HD2 ARG A 96 2.944 -0.224 13.454 1.00 3.45 H new ATOM 0 HD3 ARG A 96 3.910 -1.679 13.304 1.00 3.45 H new ATOM 0 HE ARG A 96 5.272 0.484 14.837 1.00 3.79 H new ATOM 0 HH11 ARG A 96 2.834 -2.023 15.080 1.00 4.46 H new ATOM 0 HH12 ARG A 96 3.269 -2.425 16.745 1.00 4.46 H new ATOM 0 HH21 ARG A 96 5.929 -0.161 16.863 1.00 4.55 H new ATOM 0 HH22 ARG A 96 5.002 -1.382 17.742 1.00 4.55 H new ATOM 1574 N TYR A 97 5.100 1.917 8.575 1.00 1.19 N ATOM 1575 CA TYR A 97 6.201 2.796 8.122 1.00 1.25 C ATOM 1576 C TYR A 97 5.654 3.948 7.275 1.00 1.01 C ATOM 1577 O TYR A 97 5.651 3.882 6.077 1.00 0.86 O ATOM 1578 CB TYR A 97 7.198 1.997 7.291 1.00 1.60 C ATOM 1579 CG TYR A 97 7.813 0.871 8.096 1.00 2.24 C ATOM 1580 CD1 TYR A 97 8.876 1.134 8.973 1.00 2.71 C ATOM 1581 CD2 TYR A 97 7.341 -0.441 7.946 1.00 2.85 C ATOM 1582 CE1 TYR A 97 9.462 0.088 9.694 1.00 3.51 C ATOM 1583 CE2 TYR A 97 7.927 -1.485 8.672 1.00 3.67 C ATOM 1584 CZ TYR A 97 8.986 -1.220 9.545 1.00 3.91 C ATOM 1585 OH TYR A 97 9.565 -2.251 10.254 1.00 4.81 O ATOM 0 H TYR A 97 4.578 1.450 7.834 1.00 1.19 H new ATOM 0 HA TYR A 97 6.698 3.203 9.003 1.00 1.25 H new ATOM 0 HB2 TYR A 97 6.697 1.587 6.414 1.00 1.60 H new ATOM 0 HB3 TYR A 97 7.985 2.659 6.929 1.00 1.60 H new ATOM 0 HD1 TYR A 97 9.242 2.143 9.091 1.00 2.71 H new ATOM 0 HD2 TYR A 97 6.524 -0.646 7.270 1.00 2.85 H new ATOM 0 HE1 TYR A 97 10.283 0.290 10.366 1.00 3.51 H new ATOM 0 HE2 TYR A 97 7.561 -2.495 8.558 1.00 3.67 H new ATOM 0 HH TYR A 97 9.114 -3.093 10.034 1.00 4.81 H new ATOM 1595 N PRO A 98 5.261 4.998 7.932 1.00 1.38 N ATOM 1596 CA PRO A 98 4.758 6.241 7.299 1.00 1.76 C ATOM 1597 C PRO A 98 6.004 6.960 6.815 1.00 1.98 C ATOM 1598 O PRO A 98 6.935 6.320 6.363 1.00 2.71 O ATOM 1599 CB PRO A 98 3.998 6.979 8.420 1.00 2.33 C ATOM 1600 CG PRO A 98 4.576 6.460 9.737 1.00 2.32 C ATOM 1601 CD PRO A 98 5.263 5.129 9.414 1.00 1.77 C ATOM 0 HA PRO A 98 4.081 6.125 6.452 1.00 1.76 H new ATOM 0 HB2 PRO A 98 4.129 8.058 8.335 1.00 2.33 H new ATOM 0 HB3 PRO A 98 2.928 6.782 8.360 1.00 2.33 H new ATOM 0 HG2 PRO A 98 5.287 7.172 10.156 1.00 2.32 H new ATOM 0 HG3 PRO A 98 3.789 6.321 10.478 1.00 2.32 H new ATOM 0 HD2 PRO A 98 6.281 5.114 9.803 1.00 1.77 H new ATOM 0 HD3 PRO A 98 4.733 4.297 9.877 1.00 1.77 H new ATOM 1609 N ILE A 99 6.088 8.237 6.935 1.00 1.83 N ATOM 1610 CA ILE A 99 7.355 8.894 6.514 1.00 2.07 C ATOM 1611 C ILE A 99 8.357 8.407 7.567 1.00 2.59 C ATOM 1612 O ILE A 99 8.137 8.531 8.759 1.00 3.19 O ATOM 1613 CB ILE A 99 7.206 10.442 6.490 1.00 2.18 C ATOM 1614 CG1 ILE A 99 7.894 11.007 5.240 1.00 2.85 C ATOM 1615 CG2 ILE A 99 7.847 11.077 7.721 1.00 2.62 C ATOM 1616 CD1 ILE A 99 6.895 11.092 4.085 1.00 3.50 C ATOM 0 H ILE A 99 5.360 8.853 7.296 1.00 1.83 H new ATOM 0 HA ILE A 99 7.667 8.643 5.500 1.00 2.07 H new ATOM 0 HB ILE A 99 6.141 10.675 6.482 1.00 2.18 H new ATOM 0 HG12 ILE A 99 8.300 11.996 5.454 1.00 2.85 H new ATOM 0 HG13 ILE A 99 8.734 10.372 4.959 1.00 2.85 H new ATOM 0 HG21 ILE A 99 7.727 12.159 7.676 1.00 2.62 H new ATOM 0 HG22 ILE A 99 7.364 10.695 8.621 1.00 2.62 H new ATOM 0 HG23 ILE A 99 8.908 10.830 7.747 1.00 2.62 H new ATOM 0 HD11 ILE A 99 7.393 11.494 3.202 1.00 3.50 H new ATOM 0 HD12 ILE A 99 6.510 10.097 3.863 1.00 3.50 H new ATOM 0 HD13 ILE A 99 6.069 11.746 4.366 1.00 3.50 H new ATOM 1628 N ASN A 100 9.372 7.710 7.136 1.00 2.98 N ATOM 1629 CA ASN A 100 10.307 7.069 8.120 1.00 3.81 C ATOM 1630 C ASN A 100 11.792 7.306 7.790 1.00 3.76 C ATOM 1631 O ASN A 100 12.233 7.109 6.677 1.00 4.05 O ATOM 1632 CB ASN A 100 10.043 5.556 8.105 1.00 4.86 C ATOM 1633 CG ASN A 100 11.028 4.849 9.035 1.00 5.32 C ATOM 1634 OD1 ASN A 100 11.946 4.192 8.580 1.00 5.39 O ATOM 1635 ND2 ASN A 100 10.873 4.950 10.324 1.00 6.04 N ATOM 0 H ASN A 100 9.598 7.554 6.154 1.00 2.98 H new ATOM 0 HA ASN A 100 10.119 7.517 9.096 1.00 3.81 H new ATOM 0 HB2 ASN A 100 9.020 5.353 8.422 1.00 4.86 H new ATOM 0 HB3 ASN A 100 10.145 5.170 7.091 1.00 4.86 H new ATOM 0 HD21 ASN A 100 11.522 4.478 10.954 1.00 6.04 H new ATOM 0 HD22 ASN A 100 10.103 5.501 10.703 1.00 6.04 H new ATOM 1642 N GLU A 101 12.557 7.686 8.792 1.00 3.87 N ATOM 1643 CA GLU A 101 14.015 7.908 8.645 1.00 4.14 C ATOM 1644 C GLU A 101 14.534 8.526 9.934 1.00 4.30 C ATOM 1645 O GLU A 101 13.796 8.836 10.841 1.00 4.66 O ATOM 1646 CB GLU A 101 14.315 8.829 7.466 1.00 4.61 C ATOM 1647 CG GLU A 101 15.114 8.045 6.431 1.00 4.84 C ATOM 1648 CD GLU A 101 16.577 7.950 6.872 1.00 5.62 C ATOM 1649 OE1 GLU A 101 16.894 7.040 7.617 1.00 6.18 O ATOM 1650 OE2 GLU A 101 17.357 8.791 6.453 1.00 5.99 O ATOM 0 H GLU A 101 12.206 7.854 9.735 1.00 3.87 H new ATOM 0 HA GLU A 101 14.509 6.956 8.452 1.00 4.14 H new ATOM 0 HB2 GLU A 101 13.388 9.198 7.028 1.00 4.61 H new ATOM 0 HB3 GLU A 101 14.879 9.700 7.800 1.00 4.61 H new ATOM 0 HG2 GLU A 101 14.694 7.046 6.314 1.00 4.84 H new ATOM 0 HG3 GLU A 101 15.048 8.535 5.459 1.00 4.84 H new ATOM 1657 N GLU A 102 15.798 8.676 10.040 1.00 4.45 N ATOM 1658 CA GLU A 102 16.368 9.254 11.278 1.00 4.87 C ATOM 1659 C GLU A 102 15.908 10.709 11.453 1.00 4.86 C ATOM 1660 O GLU A 102 15.870 11.227 12.552 1.00 5.33 O ATOM 1661 CB GLU A 102 17.899 9.201 11.222 1.00 5.57 C ATOM 1662 CG GLU A 102 18.452 10.509 10.659 1.00 6.18 C ATOM 1663 CD GLU A 102 19.858 10.267 10.111 1.00 6.83 C ATOM 1664 OE1 GLU A 102 20.012 9.365 9.303 1.00 7.00 O ATOM 1665 OE2 GLU A 102 20.759 10.985 10.510 1.00 7.41 O ATOM 0 H GLU A 102 16.478 8.425 9.323 1.00 4.45 H new ATOM 0 HA GLU A 102 16.016 8.669 12.128 1.00 4.87 H new ATOM 0 HB2 GLU A 102 18.301 9.028 12.220 1.00 5.57 H new ATOM 0 HB3 GLU A 102 18.219 8.365 10.600 1.00 5.57 H new ATOM 0 HG2 GLU A 102 17.800 10.883 9.869 1.00 6.18 H new ATOM 0 HG3 GLU A 102 18.479 11.271 11.438 1.00 6.18 H new ATOM 1672 N ASN A 103 15.586 11.380 10.375 1.00 4.72 N ATOM 1673 CA ASN A 103 15.164 12.816 10.480 1.00 5.29 C ATOM 1674 C ASN A 103 13.637 12.975 10.446 1.00 5.17 C ATOM 1675 O ASN A 103 13.137 14.066 10.253 1.00 5.45 O ATOM 1676 CB ASN A 103 15.769 13.608 9.316 1.00 6.03 C ATOM 1677 CG ASN A 103 17.289 13.651 9.463 1.00 6.74 C ATOM 1678 OD1 ASN A 103 18.008 13.334 8.536 1.00 7.28 O ATOM 1679 ND2 ASN A 103 17.811 14.036 10.594 1.00 7.05 N ATOM 0 H ASN A 103 15.596 10.999 9.429 1.00 4.72 H new ATOM 0 HA ASN A 103 15.522 13.195 11.437 1.00 5.29 H new ATOM 0 HB2 ASN A 103 15.498 13.145 8.367 1.00 6.03 H new ATOM 0 HB3 ASN A 103 15.366 14.621 9.303 1.00 6.03 H new ATOM 0 HD21 ASN A 103 18.825 14.072 10.702 1.00 7.05 H new ATOM 0 HD22 ASN A 103 17.206 14.302 11.371 1.00 7.05 H new ATOM 1686 N SER A 104 12.884 11.929 10.643 1.00 5.10 N ATOM 1687 CA SER A 104 11.397 12.091 10.626 1.00 5.25 C ATOM 1688 C SER A 104 10.925 12.578 11.992 1.00 6.15 C ATOM 1689 O SER A 104 10.639 13.743 12.184 1.00 6.64 O ATOM 1690 CB SER A 104 10.708 10.763 10.280 1.00 5.09 C ATOM 1691 OG SER A 104 11.416 9.683 10.864 1.00 5.61 O ATOM 0 H SER A 104 13.223 10.982 10.813 1.00 5.10 H new ATOM 0 HA SER A 104 11.133 12.823 9.863 1.00 5.25 H new ATOM 0 HB2 SER A 104 9.680 10.772 10.641 1.00 5.09 H new ATOM 0 HB3 SER A 104 10.664 10.637 9.198 1.00 5.09 H new ATOM 0 HG SER A 104 12.279 9.575 10.412 1.00 5.61 H new ATOM 1697 N SER A 105 10.857 11.691 12.936 1.00 6.68 N ATOM 1698 CA SER A 105 10.419 12.067 14.309 1.00 7.78 C ATOM 1699 C SER A 105 11.602 11.930 15.267 1.00 8.35 C ATOM 1700 O SER A 105 12.250 12.932 15.521 1.00 8.86 O ATOM 1701 CB SER A 105 9.283 11.145 14.765 1.00 8.37 C ATOM 1702 OG SER A 105 9.401 10.912 16.162 1.00 8.51 O ATOM 1703 OXT SER A 105 11.845 10.826 15.724 1.00 8.51 O ATOM 0 H SER A 105 11.089 10.705 12.817 1.00 6.68 H new ATOM 0 HA SER A 105 10.062 13.097 14.306 1.00 7.78 H new ATOM 0 HB2 SER A 105 8.318 11.599 14.540 1.00 8.37 H new ATOM 0 HB3 SER A 105 9.325 10.201 14.222 1.00 8.37 H new ATOM 0 HG SER A 105 10.194 10.363 16.336 1.00 8.51 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 10.949 -12.770 -8.197 1.00 5.03 N ATOM 1711 CA ASP B 1 10.042 -11.705 -8.713 1.00 4.22 C ATOM 1712 C ASP B 1 9.455 -10.926 -7.536 1.00 3.20 C ATOM 1713 O ASP B 1 8.984 -11.501 -6.575 1.00 3.34 O ATOM 1714 CB ASP B 1 8.907 -12.348 -9.515 1.00 4.55 C ATOM 1715 CG ASP B 1 9.493 -13.322 -10.540 1.00 5.03 C ATOM 1716 OD1 ASP B 1 10.593 -13.070 -11.005 1.00 5.31 O ATOM 1717 OD2 ASP B 1 8.832 -14.302 -10.842 1.00 5.48 O ATOM 0 H1 ASP B 1 11.562 -13.107 -8.967 1.00 5.03 H new ATOM 0 H2 ASP B 1 11.536 -12.384 -7.430 1.00 5.03 H new ATOM 0 H3 ASP B 1 10.382 -13.563 -7.834 1.00 5.03 H new ATOM 0 HA ASP B 1 10.603 -11.027 -9.356 1.00 4.22 H new ATOM 0 HB2 ASP B 1 8.227 -12.874 -8.845 1.00 4.55 H new ATOM 0 HB3 ASP B 1 8.324 -11.579 -10.021 1.00 4.55 H new ATOM 1724 N ASN B 2 9.479 -9.621 -7.598 1.00 2.66 N ATOM 1725 CA ASN B 2 8.921 -8.823 -6.472 1.00 2.04 C ATOM 1726 C ASN B 2 8.340 -7.506 -6.992 1.00 1.48 C ATOM 1727 O ASN B 2 8.804 -6.438 -6.644 1.00 2.13 O ATOM 1728 CB ASN B 2 10.027 -8.526 -5.459 1.00 2.80 C ATOM 1729 CG ASN B 2 11.241 -7.939 -6.180 1.00 3.37 C ATOM 1730 OD1 ASN B 2 11.502 -6.755 -6.092 1.00 3.63 O ATOM 1731 ND2 ASN B 2 12.003 -8.723 -6.892 1.00 4.12 N ATOM 0 H ASN B 2 9.858 -9.078 -8.374 1.00 2.66 H new ATOM 0 HA ASN B 2 8.127 -9.396 -5.993 1.00 2.04 H new ATOM 0 HB2 ASN B 2 9.665 -7.826 -4.706 1.00 2.80 H new ATOM 0 HB3 ASN B 2 10.309 -9.440 -4.936 1.00 2.80 H new ATOM 0 HD21 ASN B 2 12.817 -8.342 -7.374 1.00 4.12 H new ATOM 0 HD22 ASN B 2 11.785 -9.717 -6.966 1.00 4.12 H new ATOM 1738 N ASP B 3 7.315 -7.580 -7.804 1.00 1.01 N ATOM 1739 CA ASP B 3 6.671 -6.337 -8.338 1.00 0.90 C ATOM 1740 C ASP B 3 5.201 -6.276 -7.905 1.00 0.86 C ATOM 1741 O ASP B 3 4.463 -5.418 -8.332 1.00 1.63 O ATOM 1742 CB ASP B 3 6.765 -6.322 -9.865 1.00 1.68 C ATOM 1743 CG ASP B 3 8.127 -6.866 -10.296 1.00 2.19 C ATOM 1744 OD1 ASP B 3 8.331 -8.063 -10.169 1.00 2.77 O ATOM 1745 OD2 ASP B 3 8.943 -6.078 -10.744 1.00 2.73 O ATOM 0 H ASP B 3 6.893 -8.452 -8.123 1.00 1.01 H new ATOM 0 HA ASP B 3 7.192 -5.467 -7.937 1.00 0.90 H new ATOM 0 HB2 ASP B 3 5.967 -6.927 -10.295 1.00 1.68 H new ATOM 0 HB3 ASP B 3 6.632 -5.307 -10.238 1.00 1.68 H new HETATM 1750 N PTR B 4 4.811 -7.161 -7.026 1.00 0.79 N HETATM 1751 CA PTR B 4 3.415 -7.199 -6.471 1.00 0.63 C HETATM 1752 C PTR B 4 3.316 -8.418 -5.533 1.00 0.66 C HETATM 1753 O PTR B 4 3.806 -9.484 -5.851 1.00 1.08 O HETATM 1754 CB PTR B 4 2.333 -7.329 -7.567 1.00 0.65 C HETATM 1755 CG PTR B 4 1.799 -5.958 -7.955 1.00 0.63 C HETATM 1756 CD1 PTR B 4 1.489 -5.014 -6.975 1.00 0.99 C HETATM 1757 CD2 PTR B 4 1.663 -5.621 -9.301 1.00 0.81 C HETATM 1758 CE1 PTR B 4 1.053 -3.736 -7.335 1.00 1.05 C HETATM 1759 CE2 PTR B 4 1.213 -4.350 -9.663 1.00 0.88 C HETATM 1760 CZ PTR B 4 0.913 -3.407 -8.683 1.00 0.81 C HETATM 1761 OH PTR B 4 0.495 -2.091 -9.072 1.00 0.97 O HETATM 1762 P PTR B 4 1.500 -1.171 -9.966 1.00 1.75 P HETATM 1763 O1P PTR B 4 0.833 0.189 -10.089 1.00 2.53 O HETATM 1764 O2P PTR B 4 2.805 -1.124 -9.191 1.00 2.48 O HETATM 1765 O3P PTR B 4 1.639 -1.887 -11.300 1.00 2.41 O HETATM 0 HE2 PTR B 4 1.096 -4.095 -10.716 1.00 0.88 H new HETATM 0 HE1 PTR B 4 0.823 -2.999 -6.565 1.00 1.05 H new HETATM 0 HD2 PTR B 4 1.908 -6.351 -10.072 1.00 0.81 H new HETATM 0 HD1 PTR B 4 1.588 -5.275 -5.921 1.00 0.99 H new HETATM 0 HB3 PTR B 4 2.752 -7.824 -8.443 1.00 0.65 H new HETATM 0 HB2 PTR B 4 1.517 -7.955 -7.208 1.00 0.65 H new HETATM 0 HA PTR B 4 3.233 -6.259 -5.951 1.00 0.63 H new HETATM 0 H PTR B 4 5.487 -7.874 -6.754 1.00 0.79 H new ATOM 1774 N ILE B 5 2.686 -8.278 -4.390 1.00 0.67 N ATOM 1775 CA ILE B 5 2.548 -9.411 -3.447 1.00 0.67 C ATOM 1776 C ILE B 5 1.086 -9.455 -3.005 1.00 0.64 C ATOM 1777 O ILE B 5 0.527 -8.444 -2.628 1.00 0.71 O ATOM 1778 CB ILE B 5 3.510 -9.214 -2.239 1.00 0.74 C ATOM 1779 CG1 ILE B 5 2.808 -8.661 -0.979 1.00 0.99 C ATOM 1780 CG2 ILE B 5 4.622 -8.242 -2.614 1.00 0.80 C ATOM 1781 CD1 ILE B 5 2.542 -7.180 -1.139 1.00 0.79 C ATOM 0 H ILE B 5 2.258 -7.408 -4.074 1.00 0.67 H new ATOM 0 HA ILE B 5 2.817 -10.357 -3.917 1.00 0.67 H new ATOM 0 HB ILE B 5 3.900 -10.204 -2.004 1.00 0.74 H new ATOM 0 HG12 ILE B 5 1.870 -9.191 -0.814 1.00 0.99 H new ATOM 0 HG13 ILE B 5 3.431 -8.834 -0.101 1.00 0.99 H new ATOM 0 HG21 ILE B 5 5.291 -8.109 -1.764 1.00 0.80 H new ATOM 0 HG22 ILE B 5 5.184 -8.640 -3.459 1.00 0.80 H new ATOM 0 HG23 ILE B 5 4.188 -7.280 -2.888 1.00 0.80 H new ATOM 0 HD11 ILE B 5 2.047 -6.801 -0.245 1.00 0.79 H new ATOM 0 HD12 ILE B 5 3.486 -6.654 -1.282 1.00 0.79 H new ATOM 0 HD13 ILE B 5 1.901 -7.017 -2.006 1.00 0.79 H new ATOM 1793 N ILE B 6 0.431 -10.589 -3.040 1.00 0.76 N ATOM 1794 CA ILE B 6 -0.975 -10.568 -2.586 1.00 0.77 C ATOM 1795 C ILE B 6 -0.925 -10.305 -1.089 1.00 0.71 C ATOM 1796 O ILE B 6 -0.200 -10.977 -0.390 1.00 0.73 O ATOM 1797 CB ILE B 6 -1.677 -11.895 -2.829 1.00 0.88 C ATOM 1798 CG1 ILE B 6 -1.848 -12.125 -4.332 1.00 0.95 C ATOM 1799 CG2 ILE B 6 -3.052 -11.822 -2.161 1.00 0.96 C ATOM 1800 CD1 ILE B 6 -1.917 -13.626 -4.608 1.00 1.70 C ATOM 0 H ILE B 6 0.797 -11.489 -3.351 1.00 0.76 H new ATOM 0 HA ILE B 6 -1.531 -9.809 -3.136 1.00 0.77 H new ATOM 0 HB ILE B 6 -1.091 -12.717 -2.417 1.00 0.88 H new ATOM 0 HG12 ILE B 6 -2.756 -11.636 -4.685 1.00 0.95 H new ATOM 0 HG13 ILE B 6 -1.015 -11.681 -4.877 1.00 0.95 H new ATOM 0 HG21 ILE B 6 -3.583 -12.761 -2.317 1.00 0.96 H new ATOM 0 HG22 ILE B 6 -2.928 -11.649 -1.092 1.00 0.96 H new ATOM 0 HG23 ILE B 6 -3.626 -11.004 -2.597 1.00 0.96 H new ATOM 0 HD11 ILE B 6 -2.039 -13.794 -5.678 1.00 1.70 H new ATOM 0 HD12 ILE B 6 -0.997 -14.101 -4.269 1.00 1.70 H new ATOM 0 HD13 ILE B 6 -2.765 -14.055 -4.074 1.00 1.70 H new ATOM 1812 N PRO B 7 -1.636 -9.323 -0.622 1.00 0.70 N ATOM 1813 CA PRO B 7 -1.617 -8.942 0.798 1.00 0.71 C ATOM 1814 C PRO B 7 -2.370 -9.933 1.693 1.00 0.73 C ATOM 1815 O PRO B 7 -3.544 -9.766 1.963 1.00 0.93 O ATOM 1816 CB PRO B 7 -2.273 -7.592 0.871 1.00 0.78 C ATOM 1817 CG PRO B 7 -3.160 -7.481 -0.357 1.00 0.82 C ATOM 1818 CD PRO B 7 -2.568 -8.436 -1.384 1.00 0.77 C ATOM 0 HA PRO B 7 -0.590 -8.934 1.162 1.00 0.71 H new ATOM 0 HB2 PRO B 7 -2.860 -7.494 1.784 1.00 0.78 H new ATOM 0 HB3 PRO B 7 -1.527 -6.798 0.885 1.00 0.78 H new ATOM 0 HG2 PRO B 7 -4.190 -7.750 -0.121 1.00 0.82 H new ATOM 0 HG3 PRO B 7 -3.176 -6.459 -0.737 1.00 0.82 H new ATOM 0 HD2 PRO B 7 -3.349 -9.017 -1.874 1.00 0.77 H new ATOM 0 HD3 PRO B 7 -2.039 -7.891 -2.166 1.00 0.77 H new ATOM 1826 N LEU B 8 -1.687 -10.929 2.195 1.00 0.62 N ATOM 1827 CA LEU B 8 -2.318 -11.905 3.121 1.00 0.71 C ATOM 1828 C LEU B 8 -1.515 -11.860 4.426 1.00 0.72 C ATOM 1829 O LEU B 8 -0.317 -12.006 4.385 1.00 0.77 O ATOM 1830 CB LEU B 8 -2.239 -13.306 2.529 1.00 0.79 C ATOM 1831 CG LEU B 8 -3.655 -13.821 2.301 1.00 1.25 C ATOM 1832 CD1 LEU B 8 -4.186 -13.253 0.987 1.00 1.86 C ATOM 1833 CD2 LEU B 8 -3.635 -15.348 2.240 1.00 1.92 C ATOM 0 H LEU B 8 -0.702 -11.107 1.996 1.00 0.62 H new ATOM 0 HA LEU B 8 -3.367 -11.660 3.289 1.00 0.71 H new ATOM 0 HB2 LEU B 8 -1.687 -13.288 1.589 1.00 0.79 H new ATOM 0 HB3 LEU B 8 -1.699 -13.971 3.203 1.00 0.79 H new ATOM 0 HG LEU B 8 -4.303 -13.506 3.119 1.00 1.25 H new ATOM 0 HD11 LEU B 8 -5.199 -13.617 0.816 1.00 1.86 H new ATOM 0 HD12 LEU B 8 -4.195 -12.164 1.039 1.00 1.86 H new ATOM 0 HD13 LEU B 8 -3.543 -13.572 0.167 1.00 1.86 H new ATOM 0 HD21 LEU B 8 -4.647 -15.719 2.077 1.00 1.92 H new ATOM 0 HD22 LEU B 8 -2.994 -15.671 1.420 1.00 1.92 H new ATOM 0 HD23 LEU B 8 -3.250 -15.745 3.180 1.00 1.92 H new ATOM 1845 N PRO B 9 -2.158 -11.624 5.543 1.00 0.81 N ATOM 1846 CA PRO B 9 -1.484 -11.520 6.861 1.00 0.90 C ATOM 1847 C PRO B 9 -1.207 -12.909 7.438 1.00 0.99 C ATOM 1848 O PRO B 9 -1.949 -13.400 8.266 1.00 1.25 O ATOM 1849 CB PRO B 9 -2.450 -10.743 7.750 1.00 1.07 C ATOM 1850 CG PRO B 9 -3.842 -10.918 7.136 1.00 1.13 C ATOM 1851 CD PRO B 9 -3.631 -11.424 5.705 1.00 0.95 C ATOM 0 HA PRO B 9 -0.518 -11.020 6.784 1.00 0.90 H new ATOM 0 HB2 PRO B 9 -2.426 -11.121 8.772 1.00 1.07 H new ATOM 0 HB3 PRO B 9 -2.175 -9.689 7.794 1.00 1.07 H new ATOM 0 HG2 PRO B 9 -4.434 -11.628 7.714 1.00 1.13 H new ATOM 0 HG3 PRO B 9 -4.387 -9.974 7.136 1.00 1.13 H new ATOM 0 HD2 PRO B 9 -4.170 -12.356 5.539 1.00 0.95 H new ATOM 0 HD3 PRO B 9 -4.008 -10.704 4.979 1.00 0.95 H new ATOM 1859 N ASP B 10 -0.131 -13.529 6.999 1.00 1.21 N ATOM 1860 CA ASP B 10 0.252 -14.888 7.489 1.00 1.40 C ATOM 1861 C ASP B 10 -0.757 -15.933 6.977 1.00 1.97 C ATOM 1862 O ASP B 10 -1.936 -15.656 6.895 1.00 2.40 O ATOM 1863 CB ASP B 10 0.294 -14.906 9.024 1.00 1.84 C ATOM 1864 CG ASP B 10 1.714 -15.222 9.499 1.00 2.06 C ATOM 1865 OD1 ASP B 10 2.392 -15.975 8.821 1.00 2.23 O ATOM 1866 OD2 ASP B 10 2.099 -14.705 10.535 1.00 2.68 O ATOM 0 H ASP B 10 0.508 -13.137 6.307 1.00 1.21 H new ATOM 0 HA ASP B 10 1.243 -15.134 7.109 1.00 1.40 H new ATOM 0 HB2 ASP B 10 -0.025 -13.941 9.417 1.00 1.84 H new ATOM 0 HB3 ASP B 10 -0.402 -15.652 9.407 1.00 1.84 H new ATOM 1871 N PRO B 11 -0.276 -17.111 6.638 1.00 2.40 N ATOM 1872 CA PRO B 11 -1.111 -18.225 6.124 1.00 3.17 C ATOM 1873 C PRO B 11 -1.756 -18.972 7.296 1.00 3.66 C ATOM 1874 O PRO B 11 -1.310 -20.032 7.687 1.00 4.07 O ATOM 1875 CB PRO B 11 -0.154 -19.142 5.366 1.00 3.72 C ATOM 1876 CG PRO B 11 1.240 -18.873 5.939 1.00 3.53 C ATOM 1877 CD PRO B 11 1.156 -17.541 6.698 1.00 2.63 C ATOM 0 HA PRO B 11 -1.916 -17.871 5.480 1.00 3.17 H new ATOM 0 HB2 PRO B 11 -0.433 -20.188 5.495 1.00 3.72 H new ATOM 0 HB3 PRO B 11 -0.182 -18.935 4.296 1.00 3.72 H new ATOM 0 HG2 PRO B 11 1.547 -19.679 6.605 1.00 3.53 H new ATOM 0 HG3 PRO B 11 1.982 -18.818 5.142 1.00 3.53 H new ATOM 0 HD2 PRO B 11 1.483 -17.661 7.731 1.00 2.63 H new ATOM 0 HD3 PRO B 11 1.806 -16.793 6.243 1.00 2.63 H new ATOM 1885 N LYS B 12 -2.801 -18.421 7.860 1.00 3.98 N ATOM 1886 CA LYS B 12 -3.480 -19.089 9.008 1.00 4.77 C ATOM 1887 C LYS B 12 -4.996 -19.008 8.814 1.00 5.32 C ATOM 1888 O LYS B 12 -5.481 -19.570 7.846 1.00 5.84 O ATOM 1889 CB LYS B 12 -3.098 -18.379 10.310 1.00 5.15 C ATOM 1890 CG LYS B 12 -1.649 -18.704 10.687 1.00 5.77 C ATOM 1891 CD LYS B 12 -1.554 -18.932 12.199 1.00 6.53 C ATOM 1892 CE LYS B 12 -1.177 -20.392 12.482 1.00 7.09 C ATOM 1893 NZ LYS B 12 -2.248 -21.290 11.967 1.00 7.78 N ATOM 1894 OXT LYS B 12 -5.646 -18.384 9.637 1.00 5.55 O ATOM 0 H LYS B 12 -3.214 -17.534 7.572 1.00 3.98 H new ATOM 0 HA LYS B 12 -3.171 -20.133 9.058 1.00 4.77 H new ATOM 0 HB2 LYS B 12 -3.218 -17.302 10.194 1.00 5.15 H new ATOM 0 HB3 LYS B 12 -3.768 -18.690 11.112 1.00 5.15 H new ATOM 0 HG2 LYS B 12 -1.313 -19.593 10.153 1.00 5.77 H new ATOM 0 HG3 LYS B 12 -0.992 -17.886 10.390 1.00 5.77 H new ATOM 0 HD2 LYS B 12 -0.808 -18.264 12.631 1.00 6.53 H new ATOM 0 HD3 LYS B 12 -2.507 -18.695 12.672 1.00 6.53 H new ATOM 0 HE2 LYS B 12 -0.226 -20.632 12.006 1.00 7.09 H new ATOM 0 HE3 LYS B 12 -1.044 -20.544 13.553 1.00 7.09 H new ATOM 0 HZ1 LYS B 12 -2.201 -22.204 12.460 1.00 7.78 H new ATOM 0 HZ2 LYS B 12 -3.177 -20.854 12.134 1.00 7.78 H new ATOM 0 HZ3 LYS B 12 -2.114 -21.440 10.947 1.00 7.78 H new TER 1908 LYS B 12 CONECT 1740 1750 CONECT 1750 1740 1751 1766 CONECT 1751 1750 1752 1754 1767 CONECT 1752 1751 1753 1774 CONECT 1753 1752 CONECT 1754 1751 1755 1768 1769 CONECT 1755 1754 1756 1757 CONECT 1756 1755 1758 1770 CONECT 1757 1755 1759 1771 CONECT 1758 1756 1760 1772 CONECT 1759 1757 1760 1773 CONECT 1760 1758 1759 1761 CONECT 1761 1760 1762 CONECT 1762 1761 1763 1764 1765 CONECT 1763 1762 CONECT 1764 1762 CONECT 1765 1762 CONECT 1766 1750 CONECT 1767 1751 CONECT 1768 1754 CONECT 1769 1754 CONECT 1770 1756 CONECT 1771 1757 CONECT 1772 1758 CONECT 1773 1759 CONECT 1774 1752 END