USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 391 hydrogens (0 hets) HEADER VIRAL PROTEIN 25-OCT-05 2C55 TITLE SOLUTION STRUCTURE OF THE HUMAN IMMUNODEFICIENCY VIRUS TYPE TITLE 2 1 P6 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN P6; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: P6 SEQUENCE DERIVED FROM THE ISOLATE HIV- COMPND 5 1NL4-3 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; SOURCE 4 ORGANISM_COMMON: HIV-1; SOURCE 5 ORGANISM_TAXID: 11676; SOURCE 6 OTHER_DETAILS: P6 SEQUENCE DERIVED FROM THE ISOLATE HIV- SOURCE 7 1NL4-3 KEYWDS P6, HIV-1, P6-GAG, AIDS, CORE PROTEIN, LIPOPROTEIN, KEYWDS 2 MEMBRANE, METAL-BINDING, MYRISTATE, PHOSPHORYLATION, KEYWDS 3 POLYPROTEIN, RNA-BINDING, VIRAL NUCLEOPROTEIN, ZINC, ZINC- KEYWDS 4 FINGER, VIRAL PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.FOSSEN,V.WRAY,K.BRUNS,J.RACHMAT,P.HENKLEIN,U.TESSMER, AUTHOR 2 A.MACZUREK,P.KLINGER,U.SCHUBERT REVDAT 3 24-FEB-09 2C55 1 VERSN REVDAT 2 04-JAN-06 2C55 1 JRNL REVDAT 1 02-NOV-05 2C55 0 JRNL AUTH T.FOSSEN,V.WRAY,K.BRUNS,J.RACHMAT,P.HENKLEIN, JRNL AUTH 2 U.TESSMER,A.MACZUREK,P.KLINGER,U.SCHUBERT JRNL TITL SOLUTION STRUCTURE OF THE HUMAN IMMUNODEFICIENCY JRNL TITL 2 VIRUS TYPE 1 P6 PROTEIN. JRNL REF J.BIOL.CHEM. V. 280 42515 2005 JRNL REFN ISSN 0021-9258 JRNL PMID 16234236 JRNL DOI 10.1074/JBC.M507375200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE REMARK 4 REMARK 4 2C55 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 26-OCT-05. REMARK 100 THE PDBE ID CODE IS EBI-26163. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300.0 REMARK 210 PH : 3.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1.0 REMARK 210 SAMPLE CONTENTS : 50% WATER/50% TFE-D2 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY; COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.0 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 104 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NONE 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 400 REMARK 400 COMPOUND REMARK 400 PARTICIPATES IN BUDDING OF THE ASSEMBLED PARTICLE BY REMARK 400 INTERACTING WITH TSG101 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 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 SER A 3 -169.25 -103.10 REMARK 500 ALA A 9 132.59 63.31 REMARK 500 PRO A 10 87.61 -21.75 REMARK 500 PRO A 11 58.48 -93.27 REMARK 500 THR A 21 40.48 -97.67 REMARK 500 LYS A 27 160.70 59.94 REMARK 500 GLN A 28 173.44 58.54 REMARK 500 ASP A 32 33.35 -140.48 REMARK 500 LYS A 33 -54.54 -135.00 REMARK 500 SER A 47 39.05 -145.83 REMARK 500 SER A 50 88.39 -63.63 REMARK 500 REMARK 500 REMARK: NULL REMARK 999 REMARK 999 SEQUENCE REMARK 999 P6 SEQUENCE DERIVED FROM THE ISOLATE HIV-1NL4-3 DBREF 2C55 A 1 52 UNP P12493 GAG_HV1N5 448 499 SEQRES 1 A 52 LEU GLN SER ARG PRO GLU PRO THR ALA PRO PRO GLU GLU SEQRES 2 A 52 SER PHE ARG PHE GLY GLU GLU THR THR THR PRO SER GLN SEQRES 3 A 52 LYS GLN GLU PRO ILE ASP LYS GLU LEU TYR PRO LEU ALA SEQRES 4 A 52 SER LEU ARG SER LEU PHE GLY SER ASP PRO SER SER GLN HELIX 1 1 PHE A 17 THR A 21 5 5 HELIX 2 2 LEU A 38 SER A 43 5 6 HELIX 3 3 SER A 43 SER A 47 5 5 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 Single : A 1 LEU N :NH3+ 150:sc= 0.0195 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.6!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 22 THR OG1 : rot -46:sc= 0.527 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -0.613 (180deg=-1.18) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -49:sc= 1.15 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -63:sc= 0.257 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.014 2.507 18.142 1.00 0.00 N ATOM 2 CA LEU A 1 3.836 1.039 18.298 1.00 0.00 C ATOM 3 C LEU A 1 5.182 0.320 18.313 1.00 0.00 C ATOM 4 O LEU A 1 6.145 0.771 17.694 1.00 0.00 O ATOM 5 CB LEU A 1 2.974 0.528 17.141 1.00 0.00 C ATOM 6 CG LEU A 1 1.500 0.303 17.484 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.712 -0.064 16.236 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.361 -0.780 18.543 1.00 0.00 C ATOM 0 H1 LEU A 1 3.193 2.905 17.644 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.097 2.948 19.080 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.877 2.696 17.593 1.00 0.00 H new ATOM 0 HA LEU A 1 3.345 0.835 19.250 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.036 1.241 16.319 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.395 -0.411 16.781 1.00 0.00 H new ATOM 0 HG LEU A 1 1.093 1.231 17.885 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.334 -0.220 16.499 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.786 0.744 15.508 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.118 -0.979 15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.306 -0.928 18.776 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.784 -1.712 18.168 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.893 -0.477 19.445 1.00 0.00 H new ATOM 22 N GLN A 2 5.239 -0.801 19.025 1.00 0.00 N ATOM 23 CA GLN A 2 6.466 -1.583 19.121 1.00 0.00 C ATOM 24 C GLN A 2 6.596 -2.539 17.938 1.00 0.00 C ATOM 25 O GLN A 2 6.371 -3.742 18.071 1.00 0.00 O ATOM 26 CB GLN A 2 6.494 -2.369 20.434 1.00 0.00 C ATOM 27 CG GLN A 2 7.127 -1.606 21.586 1.00 0.00 C ATOM 28 CD GLN A 2 6.603 -2.051 22.937 1.00 0.00 C ATOM 29 OE1 GLN A 2 5.461 -2.494 23.058 1.00 0.00 O ATOM 30 NE2 GLN A 2 7.439 -1.935 23.963 1.00 0.00 N ATOM 0 H GLN A 2 4.450 -1.188 19.543 1.00 0.00 H new ATOM 0 HA GLN A 2 7.310 -0.893 19.101 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.474 -2.642 20.706 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.042 -3.298 20.280 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.208 -1.742 21.557 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.936 -0.540 21.459 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.377 -1.562 23.817 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.143 -2.219 24.897 1.00 0.00 H new ATOM 39 N SER A 3 6.959 -1.994 16.782 1.00 0.00 N ATOM 40 CA SER A 3 7.118 -2.797 15.575 1.00 0.00 C ATOM 41 C SER A 3 8.593 -3.045 15.278 1.00 0.00 C ATOM 42 O SER A 3 9.459 -2.764 16.106 1.00 0.00 O ATOM 43 CB SER A 3 6.454 -2.104 14.384 1.00 0.00 C ATOM 44 OG SER A 3 5.152 -1.655 14.716 1.00 0.00 O ATOM 0 H SER A 3 7.149 -1.000 16.655 1.00 0.00 H new ATOM 0 HA SER A 3 6.633 -3.759 15.742 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.063 -1.258 14.065 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.400 -2.794 13.542 1.00 0.00 H new ATOM 0 HG SER A 3 4.750 -1.214 13.939 1.00 0.00 H new ATOM 50 N ARG A 4 8.873 -3.573 14.090 1.00 0.00 N ATOM 51 CA ARG A 4 10.244 -3.859 13.685 1.00 0.00 C ATOM 52 C ARG A 4 10.580 -3.156 12.368 1.00 0.00 C ATOM 53 O ARG A 4 9.902 -3.359 11.361 1.00 0.00 O ATOM 54 CB ARG A 4 10.448 -5.368 13.535 1.00 0.00 C ATOM 55 CG ARG A 4 11.907 -5.777 13.403 1.00 0.00 C ATOM 56 CD ARG A 4 12.677 -5.530 14.696 1.00 0.00 C ATOM 57 NE ARG A 4 12.251 -6.430 15.764 1.00 0.00 N ATOM 58 CZ ARG A 4 12.977 -6.690 16.850 1.00 0.00 C ATOM 59 NH1 ARG A 4 14.164 -6.119 17.015 1.00 0.00 N ATOM 60 NH2 ARG A 4 12.514 -7.522 17.773 1.00 0.00 N ATOM 0 H ARG A 4 8.169 -3.811 13.392 1.00 0.00 H new ATOM 0 HA ARG A 4 10.912 -3.483 14.460 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.015 -5.872 14.399 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.902 -5.714 12.658 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.967 -6.833 13.139 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.370 -5.218 12.590 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.744 -5.662 14.514 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.533 -4.497 15.013 1.00 0.00 H new ATOM 0 HE ARG A 4 11.344 -6.887 15.673 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.524 -5.478 16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.716 -6.322 17.849 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.602 -7.963 17.651 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.070 -7.721 18.605 1.00 0.00 H new ATOM 74 N PRO A 5 11.632 -2.315 12.355 1.00 0.00 N ATOM 75 CA PRO A 5 12.043 -1.588 11.157 1.00 0.00 C ATOM 76 C PRO A 5 12.972 -2.409 10.268 1.00 0.00 C ATOM 77 O PRO A 5 14.040 -2.841 10.701 1.00 0.00 O ATOM 78 CB PRO A 5 12.779 -0.385 11.735 1.00 0.00 C ATOM 79 CG PRO A 5 13.395 -0.891 12.997 1.00 0.00 C ATOM 80 CD PRO A 5 12.504 -2.002 13.505 1.00 0.00 C ATOM 0 HA PRO A 5 11.200 -1.331 10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.537 -0.015 11.045 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.096 0.441 11.931 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.405 -1.259 12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.476 -0.093 13.735 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.086 -2.871 13.813 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.924 -1.684 14.371 1.00 0.00 H new ATOM 88 N GLU A 6 12.558 -2.621 9.022 1.00 0.00 N ATOM 89 CA GLU A 6 13.355 -3.391 8.074 1.00 0.00 C ATOM 90 C GLU A 6 14.426 -2.518 7.421 1.00 0.00 C ATOM 91 O GLU A 6 15.604 -2.874 7.412 1.00 0.00 O ATOM 92 CB GLU A 6 12.454 -4.012 7.002 1.00 0.00 C ATOM 93 CG GLU A 6 12.287 -5.516 7.146 1.00 0.00 C ATOM 94 CD GLU A 6 10.923 -5.997 6.693 1.00 0.00 C ATOM 95 OE1 GLU A 6 9.997 -6.030 7.531 1.00 0.00 O ATOM 96 OE2 GLU A 6 10.779 -6.341 5.501 1.00 0.00 O ATOM 0 H GLU A 6 11.677 -2.271 8.646 1.00 0.00 H new ATOM 0 HA GLU A 6 13.854 -4.189 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.473 -3.540 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.870 -3.793 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.058 -6.021 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.439 -5.797 8.188 1.00 0.00 H new ATOM 103 N PRO A 7 14.032 -1.359 6.862 1.00 0.00 N ATOM 104 CA PRO A 7 14.938 -0.434 6.208 1.00 0.00 C ATOM 105 C PRO A 7 15.571 0.553 7.184 1.00 0.00 C ATOM 106 O PRO A 7 15.229 0.577 8.367 1.00 0.00 O ATOM 107 CB PRO A 7 14.034 0.303 5.201 1.00 0.00 C ATOM 108 CG PRO A 7 12.649 -0.215 5.447 1.00 0.00 C ATOM 109 CD PRO A 7 12.684 -0.837 6.810 1.00 0.00 C ATOM 0 HA PRO A 7 15.780 -0.949 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.081 1.382 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.349 0.108 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.916 0.591 5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.364 -0.946 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.498 -0.107 7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.937 -1.623 6.920 1.00 0.00 H new ATOM 117 N THR A 8 16.494 1.365 6.681 1.00 0.00 N ATOM 118 CA THR A 8 17.175 2.355 7.507 1.00 0.00 C ATOM 119 C THR A 8 17.235 3.705 6.799 1.00 0.00 C ATOM 120 O THR A 8 17.498 3.775 5.598 1.00 0.00 O ATOM 121 CB THR A 8 18.589 1.881 7.847 1.00 0.00 C ATOM 122 OG1 THR A 8 18.551 0.631 8.513 1.00 0.00 O ATOM 123 CG2 THR A 8 19.352 2.847 8.728 1.00 0.00 C ATOM 0 H THR A 8 16.788 1.357 5.704 1.00 0.00 H new ATOM 0 HA THR A 8 16.608 2.474 8.430 1.00 0.00 H new ATOM 0 HB THR A 8 19.105 1.805 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.464 0.343 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.346 2.448 8.930 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.442 3.808 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.818 2.982 9.668 1.00 0.00 H new ATOM 131 N ALA A 9 16.988 4.773 7.551 1.00 0.00 N ATOM 132 CA ALA A 9 17.012 6.125 7.000 1.00 0.00 C ATOM 133 C ALA A 9 15.924 6.296 5.939 1.00 0.00 C ATOM 134 O ALA A 9 15.771 5.445 5.063 1.00 0.00 O ATOM 135 CB ALA A 9 18.391 6.429 6.399 1.00 0.00 C ATOM 0 H ALA A 9 16.768 4.729 8.546 1.00 0.00 H new ATOM 0 HA ALA A 9 16.817 6.829 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.395 7.440 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.152 6.347 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.606 5.716 5.603 1.00 0.00 H new ATOM 141 N PRO A 10 15.144 7.397 6.011 1.00 0.00 N ATOM 142 CA PRO A 10 14.065 7.709 5.096 1.00 0.00 C ATOM 143 C PRO A 10 14.168 7.007 3.742 1.00 0.00 C ATOM 144 O PRO A 10 14.730 7.552 2.792 1.00 0.00 O ATOM 145 CB PRO A 10 14.209 9.219 4.939 1.00 0.00 C ATOM 146 CG PRO A 10 14.943 9.683 6.167 1.00 0.00 C ATOM 147 CD PRO A 10 15.215 8.457 7.002 1.00 0.00 C ATOM 0 HA PRO A 10 13.100 7.373 5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.762 9.468 4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.234 9.700 4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.874 10.180 5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.346 10.405 6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.191 8.500 7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.475 8.328 7.792 1.00 0.00 H new ATOM 155 N PRO A 11 13.623 5.783 3.638 1.00 0.00 N ATOM 156 CA PRO A 11 13.633 4.987 2.434 1.00 0.00 C ATOM 157 C PRO A 11 12.374 5.185 1.594 1.00 0.00 C ATOM 158 O PRO A 11 11.642 4.235 1.316 1.00 0.00 O ATOM 159 CB PRO A 11 13.715 3.547 2.977 1.00 0.00 C ATOM 160 CG PRO A 11 13.489 3.666 4.456 1.00 0.00 C ATOM 161 CD PRO A 11 12.944 5.047 4.668 1.00 0.00 C ATOM 0 HA PRO A 11 14.451 5.253 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.962 2.909 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.686 3.101 2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.788 2.909 4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.418 3.522 5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.861 5.083 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.171 5.429 5.663 1.00 0.00 H new ATOM 169 N GLU A 12 12.128 6.428 1.194 1.00 0.00 N ATOM 170 CA GLU A 12 10.966 6.758 0.392 1.00 0.00 C ATOM 171 C GLU A 12 11.360 7.006 -1.052 1.00 0.00 C ATOM 172 O GLU A 12 10.773 7.841 -1.737 1.00 0.00 O ATOM 173 CB GLU A 12 10.253 7.982 0.969 1.00 0.00 C ATOM 174 CG GLU A 12 8.765 8.025 0.664 1.00 0.00 C ATOM 175 CD GLU A 12 7.925 7.436 1.780 1.00 0.00 C ATOM 176 OE1 GLU A 12 8.275 6.343 2.274 1.00 0.00 O ATOM 177 OE2 GLU A 12 6.916 8.067 2.160 1.00 0.00 O ATOM 0 H GLU A 12 12.725 7.225 1.416 1.00 0.00 H new ATOM 0 HA GLU A 12 10.281 5.910 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.393 7.997 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.722 8.884 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.462 9.058 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.571 7.479 -0.259 1.00 0.00 H new ATOM 184 N GLU A 13 12.344 6.250 -1.513 1.00 0.00 N ATOM 185 CA GLU A 13 12.803 6.357 -2.895 1.00 0.00 C ATOM 186 C GLU A 13 12.346 5.159 -3.693 1.00 0.00 C ATOM 187 O GLU A 13 12.421 5.126 -4.921 1.00 0.00 O ATOM 188 CB GLU A 13 14.322 6.523 -2.970 1.00 0.00 C ATOM 189 CG GLU A 13 14.800 7.171 -4.259 1.00 0.00 C ATOM 190 CD GLU A 13 15.068 8.655 -4.101 1.00 0.00 C ATOM 191 OE1 GLU A 13 16.162 9.013 -3.616 1.00 0.00 O ATOM 192 OE2 GLU A 13 14.183 9.459 -4.462 1.00 0.00 O ATOM 0 H GLU A 13 12.841 5.556 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 13 12.359 7.252 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.656 7.125 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.792 5.545 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.711 6.675 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.050 7.022 -5.036 1.00 0.00 H new ATOM 199 N SER A 14 11.832 4.208 -2.965 1.00 0.00 N ATOM 200 CA SER A 14 11.287 2.996 -3.521 1.00 0.00 C ATOM 201 C SER A 14 9.818 3.189 -3.801 1.00 0.00 C ATOM 202 O SER A 14 9.177 2.429 -4.525 1.00 0.00 O ATOM 203 CB SER A 14 11.489 1.891 -2.516 1.00 0.00 C ATOM 204 OG SER A 14 11.932 0.692 -3.128 1.00 0.00 O ATOM 0 H SER A 14 11.778 4.252 -1.947 1.00 0.00 H new ATOM 0 HA SER A 14 11.785 2.741 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.218 2.208 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.553 1.705 -1.989 1.00 0.00 H new ATOM 0 HG SER A 14 12.053 0.001 -2.444 1.00 0.00 H new ATOM 210 N PHE A 15 9.323 4.241 -3.213 1.00 0.00 N ATOM 211 CA PHE A 15 7.946 4.637 -3.354 1.00 0.00 C ATOM 212 C PHE A 15 7.792 5.519 -4.574 1.00 0.00 C ATOM 213 O PHE A 15 6.686 5.823 -5.021 1.00 0.00 O ATOM 214 CB PHE A 15 7.398 5.315 -2.058 1.00 0.00 C ATOM 215 CG PHE A 15 6.987 6.782 -2.198 1.00 0.00 C ATOM 216 CD1 PHE A 15 7.913 7.757 -2.588 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.673 7.199 -1.934 1.00 0.00 C ATOM 218 CE1 PHE A 15 7.540 9.082 -2.712 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.312 8.527 -2.061 1.00 0.00 C ATOM 220 CZ PHE A 15 6.243 9.465 -2.450 1.00 0.00 C ATOM 0 H PHE A 15 9.871 4.858 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 15 7.339 3.743 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.535 4.747 -1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.161 5.243 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.933 7.470 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.935 6.473 -1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.268 9.820 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.296 8.831 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.956 10.501 -2.550 1.00 0.00 H new ATOM 230 N ARG A 16 8.930 5.847 -5.143 1.00 0.00 N ATOM 231 CA ARG A 16 8.988 6.614 -6.376 1.00 0.00 C ATOM 232 C ARG A 16 9.443 5.668 -7.464 1.00 0.00 C ATOM 233 O ARG A 16 10.167 6.027 -8.393 1.00 0.00 O ATOM 234 CB ARG A 16 9.920 7.836 -6.281 1.00 0.00 C ATOM 235 CG ARG A 16 10.585 8.036 -4.923 1.00 0.00 C ATOM 236 CD ARG A 16 10.311 9.425 -4.368 1.00 0.00 C ATOM 237 NE ARG A 16 11.376 10.370 -4.746 1.00 0.00 N ATOM 238 CZ ARG A 16 11.455 11.686 -4.432 1.00 0.00 C ATOM 239 NH1 ARG A 16 10.537 12.338 -3.701 1.00 0.00 N ATOM 240 NH2 ARG A 16 12.501 12.373 -4.870 1.00 0.00 N ATOM 0 H ARG A 16 9.843 5.592 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 16 8.002 7.024 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.698 7.741 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.347 8.731 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.219 7.285 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.661 7.886 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.352 9.786 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.233 9.377 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 16 12.139 9.992 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.720 11.841 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.656 13.331 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.219 11.909 -5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.588 13.365 -4.650 1.00 0.00 H new ATOM 254 N PHE A 17 8.991 4.439 -7.296 1.00 0.00 N ATOM 255 CA PHE A 17 9.294 3.344 -8.198 1.00 0.00 C ATOM 256 C PHE A 17 7.989 2.728 -8.707 1.00 0.00 C ATOM 257 O PHE A 17 7.841 2.471 -9.901 1.00 0.00 O ATOM 258 CB PHE A 17 10.175 2.299 -7.465 1.00 0.00 C ATOM 259 CG PHE A 17 9.771 0.816 -7.656 1.00 0.00 C ATOM 260 CD1 PHE A 17 8.599 0.323 -7.054 1.00 0.00 C ATOM 261 CD2 PHE A 17 10.541 -0.104 -8.417 1.00 0.00 C ATOM 262 CE1 PHE A 17 8.216 -0.996 -7.204 1.00 0.00 C ATOM 263 CE2 PHE A 17 10.137 -1.420 -8.552 1.00 0.00 C ATOM 264 CZ PHE A 17 8.981 -1.862 -7.950 1.00 0.00 C ATOM 0 H PHE A 17 8.393 4.169 -6.515 1.00 0.00 H new ATOM 0 HA PHE A 17 9.853 3.708 -9.060 1.00 0.00 H new ATOM 0 HB2 PHE A 17 11.204 2.421 -7.802 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.160 2.524 -6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.987 0.988 -6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.451 0.228 -8.895 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.311 -1.349 -6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.734 -2.106 -9.135 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.674 -2.891 -8.064 1.00 0.00 H new ATOM 274 N GLY A 18 7.034 2.511 -7.794 1.00 0.00 N ATOM 275 CA GLY A 18 5.758 1.951 -8.190 1.00 0.00 C ATOM 276 C GLY A 18 4.886 2.966 -8.889 1.00 0.00 C ATOM 277 O GLY A 18 3.924 2.602 -9.565 1.00 0.00 O ATOM 0 H GLY A 18 7.127 2.713 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.925 1.101 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.239 1.573 -7.309 1.00 0.00 H new ATOM 281 N GLU A 19 5.232 4.245 -8.754 1.00 0.00 N ATOM 282 CA GLU A 19 4.470 5.292 -9.414 1.00 0.00 C ATOM 283 C GLU A 19 4.793 5.321 -10.897 1.00 0.00 C ATOM 284 O GLU A 19 4.217 6.090 -11.667 1.00 0.00 O ATOM 285 CB GLU A 19 4.739 6.655 -8.774 1.00 0.00 C ATOM 286 CG GLU A 19 3.716 7.715 -9.147 1.00 0.00 C ATOM 287 CD GLU A 19 2.495 7.689 -8.248 1.00 0.00 C ATOM 288 OE1 GLU A 19 2.170 6.604 -7.720 1.00 0.00 O ATOM 289 OE2 GLU A 19 1.865 8.752 -8.072 1.00 0.00 O ATOM 0 H GLU A 19 6.024 4.574 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 19 3.409 5.071 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.753 6.542 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.730 6.998 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.182 8.699 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.405 7.566 -10.181 1.00 0.00 H new ATOM 296 N GLU A 20 5.718 4.463 -11.278 1.00 0.00 N ATOM 297 CA GLU A 20 6.151 4.337 -12.647 1.00 0.00 C ATOM 298 C GLU A 20 5.650 3.032 -13.249 1.00 0.00 C ATOM 299 O GLU A 20 6.093 2.606 -14.316 1.00 0.00 O ATOM 300 CB GLU A 20 7.683 4.394 -12.680 1.00 0.00 C ATOM 301 CG GLU A 20 8.310 4.560 -14.060 1.00 0.00 C ATOM 302 CD GLU A 20 9.760 4.119 -14.088 1.00 0.00 C ATOM 303 OE1 GLU A 20 10.625 4.890 -13.622 1.00 0.00 O ATOM 304 OE2 GLU A 20 10.031 3.001 -14.576 1.00 0.00 O ATOM 0 H GLU A 20 6.193 3.829 -10.636 1.00 0.00 H new ATOM 0 HA GLU A 20 5.739 5.153 -13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.011 5.221 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.072 3.479 -12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.742 3.980 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.244 5.605 -14.364 1.00 0.00 H new ATOM 311 N THR A 21 4.720 2.413 -12.549 1.00 0.00 N ATOM 312 CA THR A 21 4.131 1.153 -12.988 1.00 0.00 C ATOM 313 C THR A 21 2.801 1.396 -13.696 1.00 0.00 C ATOM 314 O THR A 21 1.840 0.650 -13.506 1.00 0.00 O ATOM 315 CB THR A 21 3.926 0.218 -11.795 1.00 0.00 C ATOM 316 OG1 THR A 21 5.101 0.145 -11.008 1.00 0.00 O ATOM 317 CG2 THR A 21 3.554 -1.194 -12.198 1.00 0.00 C ATOM 0 H THR A 21 4.350 2.762 -11.665 1.00 0.00 H new ATOM 0 HA THR A 21 4.818 0.683 -13.692 1.00 0.00 H new ATOM 0 HB THR A 21 3.098 0.647 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.950 -0.456 -10.249 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.423 -1.805 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.624 -1.177 -12.765 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.347 -1.617 -12.814 1.00 0.00 H new ATOM 325 N THR A 22 2.757 2.447 -14.513 1.00 0.00 N ATOM 326 CA THR A 22 1.551 2.802 -15.260 1.00 0.00 C ATOM 327 C THR A 22 0.307 2.738 -14.375 1.00 0.00 C ATOM 328 O THR A 22 -0.733 2.222 -14.783 1.00 0.00 O ATOM 329 CB THR A 22 1.383 1.882 -16.472 1.00 0.00 C ATOM 330 OG1 THR A 22 0.307 2.315 -17.284 1.00 0.00 O ATOM 331 CG2 THR A 22 1.125 0.437 -16.102 1.00 0.00 C ATOM 0 H THR A 22 3.547 3.071 -14.675 1.00 0.00 H new ATOM 0 HA THR A 22 1.666 3.829 -15.606 1.00 0.00 H new ATOM 0 HB THR A 22 2.331 1.937 -17.007 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.469 2.514 -16.720 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.016 -0.157 -17.009 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.962 0.056 -15.517 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.211 0.370 -15.513 1.00 0.00 H new ATOM 339 N THR A 23 0.423 3.268 -13.162 1.00 0.00 N ATOM 340 CA THR A 23 -0.691 3.273 -12.219 1.00 0.00 C ATOM 341 C THR A 23 -1.742 4.310 -12.617 1.00 0.00 C ATOM 342 O THR A 23 -2.911 3.976 -12.809 1.00 0.00 O ATOM 343 CB THR A 23 -0.190 3.552 -10.799 1.00 0.00 C ATOM 344 OG1 THR A 23 1.227 3.588 -10.763 1.00 0.00 O ATOM 345 CG2 THR A 23 -0.647 2.516 -9.789 1.00 0.00 C ATOM 0 H THR A 23 1.277 3.700 -12.808 1.00 0.00 H new ATOM 0 HA THR A 23 -1.155 2.287 -12.243 1.00 0.00 H new ATOM 0 HB THR A 23 -0.617 4.518 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.526 3.769 -9.848 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.258 2.772 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.736 2.496 -9.755 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.275 1.534 -10.082 1.00 0.00 H new ATOM 353 N PRO A 24 -1.340 5.588 -12.742 1.00 0.00 N ATOM 354 CA PRO A 24 -2.257 6.669 -13.114 1.00 0.00 C ATOM 355 C PRO A 24 -2.626 6.638 -14.593 1.00 0.00 C ATOM 356 O PRO A 24 -1.754 6.646 -15.461 1.00 0.00 O ATOM 357 CB PRO A 24 -1.461 7.932 -12.787 1.00 0.00 C ATOM 358 CG PRO A 24 -0.036 7.528 -12.935 1.00 0.00 C ATOM 359 CD PRO A 24 0.036 6.079 -12.528 1.00 0.00 C ATOM 0 HA PRO A 24 -3.208 6.597 -12.586 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.714 8.747 -13.465 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.671 8.282 -11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.301 7.661 -13.963 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.610 8.141 -12.306 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.757 5.528 -13.133 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.343 5.970 -11.488 1.00 0.00 H new ATOM 367 N SER A 25 -3.926 6.606 -14.872 1.00 0.00 N ATOM 368 CA SER A 25 -4.412 6.576 -16.247 1.00 0.00 C ATOM 369 C SER A 25 -4.969 7.936 -16.655 1.00 0.00 C ATOM 370 O SER A 25 -5.433 8.706 -15.814 1.00 0.00 O ATOM 371 CB SER A 25 -5.489 5.501 -16.406 1.00 0.00 C ATOM 372 OG SER A 25 -5.595 5.080 -17.755 1.00 0.00 O ATOM 0 H SER A 25 -4.661 6.600 -14.165 1.00 0.00 H new ATOM 0 HA SER A 25 -3.572 6.337 -16.899 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.250 4.646 -15.773 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.449 5.891 -16.067 1.00 0.00 H new ATOM 0 HG SER A 25 -6.289 4.392 -17.829 1.00 0.00 H new ATOM 378 N GLN A 26 -4.920 8.225 -17.952 1.00 0.00 N ATOM 379 CA GLN A 26 -5.420 9.492 -18.473 1.00 0.00 C ATOM 380 C GLN A 26 -6.898 9.674 -18.140 1.00 0.00 C ATOM 381 O GLN A 26 -7.731 8.839 -18.490 1.00 0.00 O ATOM 382 CB GLN A 26 -5.214 9.560 -19.987 1.00 0.00 C ATOM 383 CG GLN A 26 -5.023 10.973 -20.515 1.00 0.00 C ATOM 384 CD GLN A 26 -5.487 11.126 -21.950 1.00 0.00 C ATOM 385 OE1 GLN A 26 -6.510 11.754 -22.221 1.00 0.00 O ATOM 386 NE2 GLN A 26 -4.733 10.550 -22.880 1.00 0.00 N ATOM 0 H GLN A 26 -4.539 7.599 -18.661 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.859 10.298 -17.999 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.343 8.961 -20.254 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.074 9.110 -20.482 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.572 11.671 -19.883 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.969 11.243 -20.447 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.893 10.039 -22.611 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.995 10.619 -23.863 1.00 0.00 H new ATOM 395 N LYS A 27 -7.216 10.772 -17.461 1.00 0.00 N ATOM 396 CA LYS A 27 -8.593 11.064 -17.080 1.00 0.00 C ATOM 397 C LYS A 27 -9.159 9.962 -16.191 1.00 0.00 C ATOM 398 O LYS A 27 -8.642 8.845 -16.164 1.00 0.00 O ATOM 399 CB LYS A 27 -9.464 11.224 -18.323 1.00 0.00 C ATOM 400 CG LYS A 27 -9.329 12.570 -19.030 1.00 0.00 C ATOM 401 CD LYS A 27 -9.905 12.516 -20.441 1.00 0.00 C ATOM 402 CE LYS A 27 -11.353 12.038 -20.454 1.00 0.00 C ATOM 403 NZ LYS A 27 -12.151 12.647 -19.354 1.00 0.00 N ATOM 0 H LYS A 27 -6.538 11.474 -17.163 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.596 11.998 -16.518 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.214 10.432 -19.029 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.507 11.081 -18.040 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.844 13.339 -18.454 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.278 12.856 -19.075 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.847 13.506 -20.893 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.299 11.849 -21.054 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.808 12.286 -21.413 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.377 10.952 -20.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.146 12.719 -19.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.082 12.051 -18.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.783 13.596 -19.142 1.00 0.00 H new ATOM 417 N GLN A 28 -10.226 10.285 -15.467 1.00 0.00 N ATOM 418 CA GLN A 28 -10.867 9.323 -14.577 1.00 0.00 C ATOM 419 C GLN A 28 -9.883 8.806 -13.532 1.00 0.00 C ATOM 420 O GLN A 28 -8.691 9.108 -13.583 1.00 0.00 O ATOM 421 CB GLN A 28 -11.439 8.154 -15.384 1.00 0.00 C ATOM 422 CG GLN A 28 -12.910 7.889 -15.108 1.00 0.00 C ATOM 423 CD GLN A 28 -13.732 7.778 -16.378 1.00 0.00 C ATOM 424 OE1 GLN A 28 -14.152 6.688 -16.766 1.00 0.00 O ATOM 425 NE2 GLN A 28 -13.966 8.910 -17.032 1.00 0.00 N ATOM 0 H GLN A 28 -10.665 11.206 -15.479 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.681 9.830 -14.059 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -11.308 8.358 -16.447 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.867 7.254 -15.159 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.008 6.967 -14.535 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.310 8.693 -14.490 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.598 9.791 -16.674 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.514 8.898 -17.892 1.00 0.00 H new ATOM 434 N GLU A 29 -10.392 8.026 -12.584 1.00 0.00 N ATOM 435 CA GLU A 29 -9.562 7.466 -11.525 1.00 0.00 C ATOM 436 C GLU A 29 -9.677 5.943 -11.491 1.00 0.00 C ATOM 437 O GLU A 29 -10.625 5.400 -10.924 1.00 0.00 O ATOM 438 CB GLU A 29 -9.968 8.049 -10.169 1.00 0.00 C ATOM 439 CG GLU A 29 -9.156 9.269 -9.765 1.00 0.00 C ATOM 440 CD GLU A 29 -8.412 9.069 -8.459 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.259 8.590 -8.499 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.982 9.392 -7.395 1.00 0.00 O ATOM 0 H GLU A 29 -11.377 7.767 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.525 7.730 -11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.024 8.319 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.858 7.280 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.441 9.502 -10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.820 10.128 -9.672 1.00 0.00 H new ATOM 449 N PRO A 30 -8.711 5.229 -12.098 1.00 0.00 N ATOM 450 CA PRO A 30 -8.689 3.785 -12.145 1.00 0.00 C ATOM 451 C PRO A 30 -7.793 3.219 -11.070 1.00 0.00 C ATOM 452 O PRO A 30 -7.280 2.104 -11.165 1.00 0.00 O ATOM 453 CB PRO A 30 -8.131 3.512 -13.546 1.00 0.00 C ATOM 454 CG PRO A 30 -7.434 4.788 -13.958 1.00 0.00 C ATOM 455 CD PRO A 30 -7.552 5.749 -12.797 1.00 0.00 C ATOM 0 HA PRO A 30 -9.661 3.325 -11.970 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.437 2.672 -13.535 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.929 3.258 -14.244 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.388 4.597 -14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.893 5.207 -14.854 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.660 5.744 -12.170 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.702 6.776 -13.130 1.00 0.00 H new ATOM 463 N ILE A 31 -7.637 4.019 -10.046 1.00 0.00 N ATOM 464 CA ILE A 31 -6.831 3.674 -8.898 1.00 0.00 C ATOM 465 C ILE A 31 -7.720 3.512 -7.672 1.00 0.00 C ATOM 466 O ILE A 31 -7.367 3.868 -6.548 1.00 0.00 O ATOM 467 CB ILE A 31 -5.725 4.729 -8.670 1.00 0.00 C ATOM 468 CG1 ILE A 31 -4.629 4.559 -9.720 1.00 0.00 C ATOM 469 CG2 ILE A 31 -5.140 4.634 -7.273 1.00 0.00 C ATOM 470 CD1 ILE A 31 -4.635 5.638 -10.777 1.00 0.00 C ATOM 0 H ILE A 31 -8.071 4.940 -9.983 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.333 2.722 -9.082 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.172 5.718 -8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.659 4.553 -9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.746 3.588 -10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.366 5.391 -7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.927 4.797 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.706 3.645 -7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.831 5.454 -11.489 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.591 5.630 -11.300 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.487 6.610 -10.306 1.00 0.00 H new ATOM 482 N ASP A 32 -8.878 2.937 -7.919 1.00 0.00 N ATOM 483 CA ASP A 32 -9.851 2.666 -6.871 1.00 0.00 C ATOM 484 C ASP A 32 -10.495 1.314 -7.116 1.00 0.00 C ATOM 485 O ASP A 32 -11.660 1.069 -6.801 1.00 0.00 O ATOM 486 CB ASP A 32 -10.899 3.775 -6.807 1.00 0.00 C ATOM 487 CG ASP A 32 -11.689 3.897 -8.096 1.00 0.00 C ATOM 488 OD1 ASP A 32 -11.153 3.520 -9.159 1.00 0.00 O ATOM 489 OD2 ASP A 32 -12.844 4.370 -8.041 1.00 0.00 O ATOM 0 H ASP A 32 -9.175 2.643 -8.849 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.343 2.641 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.583 3.578 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.407 4.724 -6.594 1.00 0.00 H new ATOM 494 N LYS A 33 -9.672 0.451 -7.663 1.00 0.00 N ATOM 495 CA LYS A 33 -10.017 -0.923 -7.979 1.00 0.00 C ATOM 496 C LYS A 33 -8.883 -1.797 -7.519 1.00 0.00 C ATOM 497 O LYS A 33 -9.054 -2.740 -6.746 1.00 0.00 O ATOM 498 CB LYS A 33 -10.252 -1.091 -9.483 1.00 0.00 C ATOM 499 CG LYS A 33 -11.675 -0.774 -9.912 1.00 0.00 C ATOM 500 CD LYS A 33 -12.518 -2.035 -10.028 1.00 0.00 C ATOM 501 CE LYS A 33 -12.690 -2.459 -11.478 1.00 0.00 C ATOM 502 NZ LYS A 33 -13.744 -3.500 -11.631 1.00 0.00 N ATOM 0 H LYS A 33 -8.712 0.690 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.941 -1.205 -7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.564 -0.442 -10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.015 -2.116 -9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.131 -0.096 -9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.660 -0.256 -10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.048 -2.841 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.496 -1.862 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.948 -1.589 -12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.743 -2.842 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.830 -3.762 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.486 -4.340 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.653 -3.126 -11.291 1.00 0.00 H new ATOM 516 N GLU A 34 -7.723 -1.444 -8.006 1.00 0.00 N ATOM 517 CA GLU A 34 -6.510 -2.126 -7.689 1.00 0.00 C ATOM 518 C GLU A 34 -5.758 -1.484 -6.535 1.00 0.00 C ATOM 519 O GLU A 34 -4.741 -2.014 -6.090 1.00 0.00 O ATOM 520 CB GLU A 34 -5.612 -2.220 -8.922 1.00 0.00 C ATOM 521 CG GLU A 34 -6.122 -3.191 -9.975 1.00 0.00 C ATOM 522 CD GLU A 34 -5.324 -4.479 -10.015 1.00 0.00 C ATOM 523 OE1 GLU A 34 -4.906 -4.953 -8.938 1.00 0.00 O ATOM 524 OE2 GLU A 34 -5.118 -5.015 -11.124 1.00 0.00 O ATOM 0 H GLU A 34 -7.599 -0.659 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.788 -3.129 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.517 -1.230 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.613 -2.526 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.168 -3.422 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.083 -2.713 -10.954 1.00 0.00 H new ATOM 531 N LEU A 35 -6.272 -0.378 -6.022 1.00 0.00 N ATOM 532 CA LEU A 35 -5.639 0.288 -4.893 1.00 0.00 C ATOM 533 C LEU A 35 -6.684 0.724 -3.900 1.00 0.00 C ATOM 534 O LEU A 35 -6.597 1.781 -3.275 1.00 0.00 O ATOM 535 CB LEU A 35 -4.787 1.480 -5.333 1.00 0.00 C ATOM 536 CG LEU A 35 -4.011 1.274 -6.630 1.00 0.00 C ATOM 537 CD1 LEU A 35 -3.118 2.470 -6.927 1.00 0.00 C ATOM 538 CD2 LEU A 35 -3.194 -0.002 -6.562 1.00 0.00 C ATOM 0 H LEU A 35 -7.119 0.075 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.968 -0.429 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.436 2.348 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.080 1.715 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.729 1.181 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.576 2.297 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.731 3.366 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.407 2.604 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.647 -0.134 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.489 0.061 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.859 -0.852 -6.408 1.00 0.00 H new ATOM 550 N TYR A 36 -7.689 -0.106 -3.810 1.00 0.00 N ATOM 551 CA TYR A 36 -8.824 0.123 -2.959 1.00 0.00 C ATOM 552 C TYR A 36 -9.062 -0.993 -1.966 1.00 0.00 C ATOM 553 O TYR A 36 -9.229 -0.755 -0.769 1.00 0.00 O ATOM 554 CB TYR A 36 -10.003 0.317 -3.845 1.00 0.00 C ATOM 555 CG TYR A 36 -11.154 0.999 -3.190 1.00 0.00 C ATOM 556 CD1 TYR A 36 -11.651 0.555 -1.979 1.00 0.00 C ATOM 557 CD2 TYR A 36 -11.734 2.090 -3.792 1.00 0.00 C ATOM 558 CE1 TYR A 36 -12.719 1.195 -1.377 1.00 0.00 C ATOM 559 CE2 TYR A 36 -12.801 2.743 -3.206 1.00 0.00 C ATOM 560 CZ TYR A 36 -13.291 2.290 -1.996 1.00 0.00 C ATOM 561 OH TYR A 36 -14.354 2.933 -1.404 1.00 0.00 O ATOM 0 H TYR A 36 -7.742 -0.978 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.640 1.006 -2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.698 0.899 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.332 -0.655 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.201 -0.301 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.350 2.442 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.103 0.842 -0.431 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -13.248 3.599 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 36 -14.638 3.683 -1.967 1.00 0.00 H new ATOM 571 N PRO A 37 -8.976 -2.224 -2.435 1.00 0.00 N ATOM 572 CA PRO A 37 -9.073 -3.379 -1.612 1.00 0.00 C ATOM 573 C PRO A 37 -7.899 -3.343 -0.685 1.00 0.00 C ATOM 574 O PRO A 37 -7.870 -3.969 0.373 1.00 0.00 O ATOM 575 CB PRO A 37 -9.070 -4.557 -2.583 1.00 0.00 C ATOM 576 CG PRO A 37 -9.226 -3.929 -3.931 1.00 0.00 C ATOM 577 CD PRO A 37 -8.646 -2.560 -3.762 1.00 0.00 C ATOM 0 HA PRO A 37 -9.966 -3.447 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.143 -5.126 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.885 -5.249 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.697 -4.494 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.273 -3.885 -4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.567 -2.559 -3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.073 -1.853 -4.473 1.00 0.00 H new ATOM 585 N LEU A 38 -6.963 -2.501 -1.093 1.00 0.00 N ATOM 586 CA LEU A 38 -5.790 -2.222 -0.328 1.00 0.00 C ATOM 587 C LEU A 38 -6.193 -1.475 0.906 1.00 0.00 C ATOM 588 O LEU A 38 -5.948 -1.874 2.041 1.00 0.00 O ATOM 589 CB LEU A 38 -4.849 -1.345 -1.123 1.00 0.00 C ATOM 590 CG LEU A 38 -4.417 -1.902 -2.478 1.00 0.00 C ATOM 591 CD1 LEU A 38 -3.184 -1.174 -2.984 1.00 0.00 C ATOM 592 CD2 LEU A 38 -4.166 -3.399 -2.391 1.00 0.00 C ATOM 0 H LEU A 38 -7.011 -1.994 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.293 -3.159 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.328 -0.379 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.957 -1.163 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.226 -1.738 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.890 -1.584 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.407 -0.113 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.368 -1.302 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.860 -3.774 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.378 -3.594 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.080 -3.904 -2.079 1.00 0.00 H new ATOM 604 N ALA A 39 -6.834 -0.384 0.659 1.00 0.00 N ATOM 605 CA ALA A 39 -7.323 0.444 1.744 1.00 0.00 C ATOM 606 C ALA A 39 -8.240 -0.362 2.624 1.00 0.00 C ATOM 607 O ALA A 39 -8.350 -0.153 3.832 1.00 0.00 O ATOM 608 CB ALA A 39 -8.011 1.688 1.221 1.00 0.00 C ATOM 0 H ALA A 39 -7.039 -0.033 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.473 0.778 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.366 2.287 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.306 2.273 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.857 1.401 0.597 1.00 0.00 H new ATOM 614 N SER A 40 -8.846 -1.310 1.983 1.00 0.00 N ATOM 615 CA SER A 40 -9.727 -2.243 2.597 1.00 0.00 C ATOM 616 C SER A 40 -8.926 -3.312 3.280 1.00 0.00 C ATOM 617 O SER A 40 -9.387 -4.013 4.181 1.00 0.00 O ATOM 618 CB SER A 40 -10.576 -2.860 1.517 1.00 0.00 C ATOM 619 OG SER A 40 -11.955 -2.834 1.844 1.00 0.00 O ATOM 0 H SER A 40 -8.734 -1.458 0.980 1.00 0.00 H new ATOM 0 HA SER A 40 -10.355 -1.746 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.416 -2.326 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.262 -3.891 1.354 1.00 0.00 H new ATOM 0 HG SER A 40 -12.471 -3.242 1.118 1.00 0.00 H new ATOM 625 N LEU A 41 -7.719 -3.411 2.807 1.00 0.00 N ATOM 626 CA LEU A 41 -6.764 -4.353 3.278 1.00 0.00 C ATOM 627 C LEU A 41 -6.240 -3.930 4.636 1.00 0.00 C ATOM 628 O LEU A 41 -5.630 -4.710 5.367 1.00 0.00 O ATOM 629 CB LEU A 41 -5.684 -4.428 2.206 1.00 0.00 C ATOM 630 CG LEU A 41 -4.249 -4.398 2.692 1.00 0.00 C ATOM 631 CD1 LEU A 41 -3.591 -5.763 2.561 1.00 0.00 C ATOM 632 CD2 LEU A 41 -3.487 -3.341 1.921 1.00 0.00 C ATOM 0 H LEU A 41 -7.367 -2.815 2.058 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.189 -5.345 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.832 -5.345 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.829 -3.596 1.517 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.236 -4.144 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.563 -5.707 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.142 -6.491 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.596 -6.070 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.453 -3.314 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.509 -3.580 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.950 -2.368 2.084 1.00 0.00 H new ATOM 644 N ARG A 42 -6.538 -2.697 4.969 1.00 0.00 N ATOM 645 CA ARG A 42 -6.168 -2.130 6.254 1.00 0.00 C ATOM 646 C ARG A 42 -7.389 -2.046 7.143 1.00 0.00 C ATOM 647 O ARG A 42 -7.388 -1.382 8.175 1.00 0.00 O ATOM 648 CB ARG A 42 -5.513 -0.767 6.094 1.00 0.00 C ATOM 649 CG ARG A 42 -4.305 -0.788 5.176 1.00 0.00 C ATOM 650 CD ARG A 42 -3.290 -1.848 5.625 1.00 0.00 C ATOM 651 NE ARG A 42 -1.923 -1.481 5.276 1.00 0.00 N ATOM 652 CZ ARG A 42 -0.824 -2.171 5.626 1.00 0.00 C ATOM 653 NH1 ARG A 42 -0.894 -3.291 6.354 1.00 0.00 N ATOM 654 NH2 ARG A 42 0.366 -1.730 5.242 1.00 0.00 N ATOM 0 H ARG A 42 -7.044 -2.054 4.360 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.433 -2.784 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.247 -0.062 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.210 -0.399 7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.624 -0.995 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.832 0.194 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.364 -1.986 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.537 -2.804 5.164 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.790 -0.634 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.801 -3.645 6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.041 -3.792 6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.439 -0.877 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.208 -2.244 5.501 1.00 0.00 H new ATOM 668 N SER A 43 -8.423 -2.746 6.713 1.00 0.00 N ATOM 669 CA SER A 43 -9.660 -2.834 7.400 1.00 0.00 C ATOM 670 C SER A 43 -9.855 -4.222 7.900 1.00 0.00 C ATOM 671 O SER A 43 -10.053 -4.468 9.090 1.00 0.00 O ATOM 672 CB SER A 43 -10.770 -2.454 6.460 1.00 0.00 C ATOM 673 OG SER A 43 -11.966 -2.138 7.151 1.00 0.00 O ATOM 0 H SER A 43 -8.405 -3.280 5.844 1.00 0.00 H new ATOM 0 HA SER A 43 -9.663 -2.154 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.460 -1.598 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.957 -3.276 5.769 1.00 0.00 H new ATOM 0 HG SER A 43 -12.662 -1.895 6.506 1.00 0.00 H new ATOM 679 N LEU A 44 -9.761 -5.122 6.975 1.00 0.00 N ATOM 680 CA LEU A 44 -9.884 -6.523 7.294 1.00 0.00 C ATOM 681 C LEU A 44 -8.676 -6.980 8.076 1.00 0.00 C ATOM 682 O LEU A 44 -8.658 -8.067 8.653 1.00 0.00 O ATOM 683 CB LEU A 44 -10.131 -7.393 6.047 1.00 0.00 C ATOM 684 CG LEU A 44 -8.955 -7.551 5.067 1.00 0.00 C ATOM 685 CD1 LEU A 44 -7.756 -8.192 5.746 1.00 0.00 C ATOM 686 CD2 LEU A 44 -9.383 -8.379 3.865 1.00 0.00 C ATOM 0 H LEU A 44 -9.599 -4.920 5.988 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.768 -6.650 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.431 -8.386 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.974 -6.971 5.500 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.660 -6.558 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.941 -8.291 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.433 -7.568 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.033 -9.178 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.543 -8.484 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.705 -9.365 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.208 -7.881 3.356 1.00 0.00 H new ATOM 698 N PHE A 45 -7.688 -6.113 8.124 1.00 0.00 N ATOM 699 CA PHE A 45 -6.490 -6.372 8.864 1.00 0.00 C ATOM 700 C PHE A 45 -6.820 -6.485 10.353 1.00 0.00 C ATOM 701 O PHE A 45 -6.067 -7.083 11.122 1.00 0.00 O ATOM 702 CB PHE A 45 -5.472 -5.257 8.608 1.00 0.00 C ATOM 703 CG PHE A 45 -5.776 -3.958 9.360 1.00 0.00 C ATOM 704 CD1 PHE A 45 -7.098 -3.616 9.649 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.761 -3.088 9.808 1.00 0.00 C ATOM 706 CE1 PHE A 45 -7.401 -2.467 10.353 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.078 -1.937 10.504 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.394 -1.628 10.779 1.00 0.00 C ATOM 0 H PHE A 45 -7.701 -5.211 7.648 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.052 -7.315 8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.481 -5.609 8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.438 -5.047 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.898 -4.261 9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.727 -3.323 9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.431 -2.225 10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.291 -1.276 10.835 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.635 -0.729 11.328 1.00 0.00 H new ATOM 718 N GLY A 46 -7.961 -5.902 10.755 1.00 0.00 N ATOM 719 CA GLY A 46 -8.364 -5.952 12.148 1.00 0.00 C ATOM 720 C GLY A 46 -9.254 -7.141 12.455 1.00 0.00 C ATOM 721 O GLY A 46 -10.246 -7.013 13.171 1.00 0.00 O ATOM 0 H GLY A 46 -8.603 -5.402 10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.476 -5.995 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.891 -5.033 12.403 1.00 0.00 H new ATOM 725 N SER A 47 -8.898 -8.301 11.912 1.00 0.00 N ATOM 726 CA SER A 47 -9.671 -9.518 12.133 1.00 0.00 C ATOM 727 C SER A 47 -8.757 -10.737 12.184 1.00 0.00 C ATOM 728 O SER A 47 -9.095 -11.803 11.670 1.00 0.00 O ATOM 729 CB SER A 47 -10.716 -9.692 11.028 1.00 0.00 C ATOM 730 OG SER A 47 -10.099 -9.813 9.758 1.00 0.00 O ATOM 0 H SER A 47 -8.079 -8.424 11.316 1.00 0.00 H new ATOM 0 HA SER A 47 -10.181 -9.428 13.092 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.319 -10.578 11.229 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.394 -8.839 11.027 1.00 0.00 H new ATOM 0 HG SER A 47 -9.448 -9.090 9.640 1.00 0.00 H new ATOM 736 N ASP A 48 -7.596 -10.571 12.808 1.00 0.00 N ATOM 737 CA ASP A 48 -6.629 -11.654 12.929 1.00 0.00 C ATOM 738 C ASP A 48 -6.544 -12.150 14.372 1.00 0.00 C ATOM 739 O ASP A 48 -5.808 -11.589 15.185 1.00 0.00 O ATOM 740 CB ASP A 48 -5.253 -11.187 12.457 1.00 0.00 C ATOM 741 CG ASP A 48 -4.535 -12.239 11.635 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.221 -13.044 10.971 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.286 -12.257 11.654 1.00 0.00 O ATOM 0 H ASP A 48 -7.302 -9.694 13.239 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.962 -12.479 12.300 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.364 -10.280 11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.644 -10.928 13.323 1.00 0.00 H new ATOM 748 N PRO A 49 -7.297 -13.211 14.712 1.00 0.00 N ATOM 749 CA PRO A 49 -7.298 -13.774 16.067 1.00 0.00 C ATOM 750 C PRO A 49 -5.966 -14.425 16.423 1.00 0.00 C ATOM 751 O PRO A 49 -5.597 -15.456 15.861 1.00 0.00 O ATOM 752 CB PRO A 49 -8.411 -14.824 16.020 1.00 0.00 C ATOM 753 CG PRO A 49 -8.530 -15.191 14.581 1.00 0.00 C ATOM 754 CD PRO A 49 -8.204 -13.943 13.809 1.00 0.00 C ATOM 0 HA PRO A 49 -7.453 -13.007 16.825 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.161 -15.692 16.630 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.349 -14.423 16.405 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.844 -15.999 14.326 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.536 -15.542 14.349 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.725 -14.173 12.857 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.100 -13.364 13.583 1.00 0.00 H new ATOM 762 N SER A 50 -5.248 -13.815 17.361 1.00 0.00 N ATOM 763 CA SER A 50 -3.955 -14.335 17.793 1.00 0.00 C ATOM 764 C SER A 50 -4.110 -15.706 18.443 1.00 0.00 C ATOM 765 O SER A 50 -4.272 -15.813 19.659 1.00 0.00 O ATOM 766 CB SER A 50 -3.292 -13.361 18.771 1.00 0.00 C ATOM 767 OG SER A 50 -2.024 -12.946 18.296 1.00 0.00 O ATOM 0 H SER A 50 -5.539 -12.961 17.836 1.00 0.00 H new ATOM 0 HA SER A 50 -3.320 -14.442 16.913 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.933 -12.491 18.913 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.181 -13.838 19.745 1.00 0.00 H new ATOM 0 HG SER A 50 -1.622 -12.323 18.937 1.00 0.00 H new ATOM 773 N SER A 51 -4.057 -16.752 17.626 1.00 0.00 N ATOM 774 CA SER A 51 -4.190 -18.117 18.121 1.00 0.00 C ATOM 775 C SER A 51 -3.088 -19.009 17.560 1.00 0.00 C ATOM 776 O SER A 51 -3.269 -19.667 16.536 1.00 0.00 O ATOM 777 CB SER A 51 -5.562 -18.684 17.750 1.00 0.00 C ATOM 778 OG SER A 51 -5.577 -20.097 17.859 1.00 0.00 O ATOM 0 H SER A 51 -3.923 -16.681 16.617 1.00 0.00 H new ATOM 0 HA SER A 51 -4.096 -18.095 19.207 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.324 -18.258 18.403 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.816 -18.392 16.731 1.00 0.00 H new ATOM 0 HG SER A 51 -4.942 -20.481 17.219 1.00 0.00 H new ATOM 784 N GLN A 52 -1.945 -19.026 18.238 1.00 0.00 N ATOM 785 CA GLN A 52 -0.812 -19.837 17.807 1.00 0.00 C ATOM 786 C GLN A 52 -0.753 -21.147 18.586 1.00 0.00 C ATOM 787 O GLN A 52 -0.234 -22.139 18.035 1.00 0.00 O ATOM 788 CB GLN A 52 0.495 -19.063 17.988 1.00 0.00 C ATOM 789 CG GLN A 52 1.511 -19.319 16.887 1.00 0.00 C ATOM 790 CD GLN A 52 2.833 -18.621 17.140 1.00 0.00 C ATOM 791 OE1 GLN A 52 3.753 -19.198 17.720 1.00 0.00 O ATOM 792 NE2 GLN A 52 2.934 -17.370 16.706 1.00 0.00 N ATOM 793 OXT GLN A 52 -1.227 -21.168 19.742 1.00 0.00 O ATOM 0 H GLN A 52 -1.779 -18.487 19.088 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.945 -20.069 16.750 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.274 -17.996 18.026 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.936 -19.331 18.948 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.682 -20.392 16.798 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.102 -18.981 15.935 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.146 -16.930 16.230 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.799 -16.849 16.849 1.00 0.00 H new TER 802 GLN A 52 END