USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) HEADER PHOSPHOTRANSFERASE 19-JUL-93 1PNJ TITLE SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 TITLE 2 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3- TITLE 3 KINASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT COMPND 3 SH3 DOMAIN; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS PHOSPHOTRANSFERASE EXPDTA SOLUTION NMR AUTHOR G.W.BOOKER,I.GOUT,A.K.DOWNING,P.C.DRISCOLL,J.BOYD, AUTHOR 2 M.D.WATERFIELD,I.D.CAMPBELL REVDAT 2 24-FEB-09 1PNJ 1 VERSN REVDAT 1 31-OCT-93 1PNJ 0 JRNL AUTH G.W.BOOKER,I.GOUT,A.K.DOWNING,P.C.DRISCOLL,J.BOYD, JRNL AUTH 2 M.D.WATERFIELD,I.D.CAMPBELL JRNL TITL SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE JRNL TITL 2 SH3 DOMAIN OF THE P85 ALPHA SUBUNIT OF JRNL TITL 3 PHOSPHATIDYLINOSITOL 3-KINASE. JRNL REF CELL(CAMBRIDGE,MASS.) V. 73 813 1993 JRNL REFN ISSN 0092-8674 JRNL PMID 7684655 JRNL DOI 10.1016/0092-8674(93)90259-S 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 1PNJ 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: 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 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.5 DEGREES REMARK 500 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.5 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 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 GLU A 4 40.14 -99.59 REMARK 500 VAL A 32 -154.90 -120.45 REMARK 500 SER A 36 69.71 -151.03 REMARK 500 SER A 43 34.14 -149.69 REMARK 500 GLN A 46 -72.18 -66.97 REMARK 500 ALA A 48 -22.77 -176.90 REMARK 500 ILE A 77 -58.17 -126.21 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 9 0.24 SIDE_CHAIN REMARK 500 ARG A 18 0.31 SIDE_CHAIN REMARK 500 ARG A 66 0.18 SIDE_CHAIN REMARK 500 ARG A 79 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2PNI RELATED DB: PDB DBREF 1PNJ A 1C 84 UNP P23727 P85A_BOVIN 1 84 SEQADV 1PNJ GLY A 1A UNP P23727 INSERTION SEQADV 1PNJ SER A 1B UNP P23727 INSERTION SEQRES 1 A 86 GLY SER MET SER ALA GLU GLY TYR GLN TYR ARG ALA LEU SEQRES 2 A 86 TYR ASP TYR LYS LYS GLU ARG GLU GLU ASP ILE ASP LEU SEQRES 3 A 86 HIS LEU GLY ASP ILE LEU THR VAL ASN LYS GLY SER LEU SEQRES 4 A 86 VAL ALA LEU GLY PHE SER ASP GLY GLN GLU ALA LYS PRO SEQRES 5 A 86 GLU GLU ILE GLY TRP LEU ASN GLY TYR ASN GLU THR THR SEQRES 6 A 86 GLY GLU ARG GLY ASP PHE PRO GLY THR TYR VAL GLU TYR SEQRES 7 A 86 ILE GLY ARG LYS LYS ILE SER PRO HELIX 1 1 SER A 36 LEU A 40 5 5 SHEET 1 B1 3 ILE A 29 VAL A 32 0 SHEET 2 B1 3 GLN A 7 ALA A 10 -1 N TYR A 8 O LEU A 30 SHEET 3 B1 3 GLU A 75 ARG A 79 -1 O GLY A 78 N GLN A 7 SHEET 1 B2 2 TRP A 55 ASN A 60 0 SHEET 2 B2 2 GLU A 65 PRO A 70 -1 N PHE A 69 O LEU A 56 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 GLN :FLIP amide:sc= 0 F(o=0.43,f=1.2) USER MOD Set 1.2: A 31 THR OG1 : rot 155:sc= 1.17 USER MOD Single : A 1AGLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1BSER OG : rot 180:sc= 0 USER MOD Single : A 1CMET CE :methyl 172:sc= 0 (180deg=-0.0886) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc=-0.00115 USER MOD Single : A 8 TYR OH : rot 17:sc= 0.141 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-8.3!) USER MOD Single : A 33 ASN : amide:sc= -0.312 K(o=-0.31,f=-2.4!) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.376) USER MOD Single : A 36 SER OG : rot 59:sc= -0.0732 USER MOD Single : A 43 SER OG : rot -58:sc= 0.131 USER MOD Single : A 46 GLN :FLIP amide:sc= -2.33! F(o=-3.2,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc=-0.00875 (180deg=-0.249) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.151 F(o=-2.6,f=-0.15) USER MOD Single : A 59 TYR OH : rot -162:sc= 0.726 USER MOD Single : A 60 ASN : amide:sc= -2.02 K(o=-2,f=-3.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 72 THR OG1 : rot -36:sc= 0.0461 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 70:sc= -1.47 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= -0.0705 (180deg=-0.444) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 18.846 -2.578 -21.181 1.00 0.00 N ATOM 2 CA GLY A 1A 19.477 -3.527 -22.142 1.00 0.00 C ATOM 3 C GLY A 1A 18.401 -4.379 -22.820 1.00 0.00 C ATOM 4 O GLY A 1A 18.321 -4.433 -24.032 1.00 0.00 O ATOM 0 H1 GLY A 1A 19.584 -2.004 -20.725 1.00 0.00 H new ATOM 0 H2 GLY A 1A 18.187 -1.955 -21.690 1.00 0.00 H new ATOM 0 H3 GLY A 1A 18.326 -3.113 -20.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 20.042 -2.975 -22.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 20.185 -4.170 -21.619 1.00 0.00 H new ATOM 10 N SER A 1B 17.604 -5.017 -22.000 1.00 0.00 N ATOM 11 CA SER A 1B 16.455 -5.834 -22.505 1.00 0.00 C ATOM 12 C SER A 1B 15.466 -5.012 -23.344 1.00 0.00 C ATOM 13 O SER A 1B 14.698 -5.571 -24.101 1.00 0.00 O ATOM 14 CB SER A 1B 15.737 -6.447 -21.291 1.00 0.00 C ATOM 15 OG SER A 1B 16.667 -7.386 -20.765 1.00 0.00 O ATOM 0 H SER A 1B 17.702 -5.007 -20.985 1.00 0.00 H new ATOM 0 HA SER A 1B 16.846 -6.609 -23.164 1.00 0.00 H new ATOM 0 HB2 SER A 1B 15.482 -5.685 -20.554 1.00 0.00 H new ATOM 0 HB3 SER A 1B 14.806 -6.932 -21.584 1.00 0.00 H new ATOM 0 HG SER A 1B 16.280 -7.824 -19.978 1.00 0.00 H new ATOM 21 N MET A 1C 15.515 -3.708 -23.185 1.00 0.00 N ATOM 22 CA MET A 1C 14.651 -2.769 -23.978 1.00 0.00 C ATOM 23 C MET A 1C 13.159 -2.991 -23.648 1.00 0.00 C ATOM 24 O MET A 1C 12.312 -3.029 -24.519 1.00 0.00 O ATOM 25 CB MET A 1C 14.942 -3.005 -25.496 1.00 0.00 C ATOM 26 CG MET A 1C 14.656 -1.721 -26.304 1.00 0.00 C ATOM 27 SD MET A 1C 15.658 -0.251 -25.959 1.00 0.00 S ATOM 28 CE MET A 1C 17.288 -0.860 -26.468 1.00 0.00 C ATOM 0 H MET A 1C 16.134 -3.243 -22.521 1.00 0.00 H new ATOM 0 HA MET A 1C 14.881 -1.735 -23.720 1.00 0.00 H new ATOM 0 HB2 MET A 1C 15.981 -3.304 -25.632 1.00 0.00 H new ATOM 0 HB3 MET A 1C 14.324 -3.822 -25.869 1.00 0.00 H new ATOM 0 HG2 MET A 1C 14.770 -1.961 -27.361 1.00 0.00 H new ATOM 0 HG3 MET A 1C 13.610 -1.455 -26.148 1.00 0.00 H new ATOM 0 HE1 MET A 1C 18.003 -0.038 -26.457 1.00 0.00 H new ATOM 0 HE2 MET A 1C 17.618 -1.637 -25.779 1.00 0.00 H new ATOM 0 HE3 MET A 1C 17.224 -1.272 -27.475 1.00 0.00 H new ATOM 38 N SER A 2 12.895 -3.131 -22.374 1.00 0.00 N ATOM 39 CA SER A 2 11.524 -3.507 -21.892 1.00 0.00 C ATOM 40 C SER A 2 11.315 -2.995 -20.457 1.00 0.00 C ATOM 41 O SER A 2 12.246 -2.541 -19.817 1.00 0.00 O ATOM 42 CB SER A 2 11.318 -5.075 -21.895 1.00 0.00 C ATOM 43 OG SER A 2 12.507 -5.710 -22.347 1.00 0.00 O ATOM 0 H SER A 2 13.582 -2.999 -21.632 1.00 0.00 H new ATOM 0 HA SER A 2 10.803 -3.052 -22.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.067 -5.421 -20.892 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.483 -5.341 -22.542 1.00 0.00 H new ATOM 0 HG SER A 2 12.379 -6.682 -22.347 1.00 0.00 H new ATOM 49 N ALA A 3 10.086 -3.088 -20.009 1.00 0.00 N ATOM 50 CA ALA A 3 9.726 -2.696 -18.607 1.00 0.00 C ATOM 51 C ALA A 3 10.327 -3.665 -17.577 1.00 0.00 C ATOM 52 O ALA A 3 10.573 -4.817 -17.877 1.00 0.00 O ATOM 53 CB ALA A 3 8.187 -2.677 -18.475 1.00 0.00 C ATOM 0 H ALA A 3 9.301 -3.426 -20.566 1.00 0.00 H new ATOM 0 HA ALA A 3 10.137 -1.707 -18.406 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.912 -2.393 -17.459 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.770 -1.956 -19.178 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.791 -3.668 -18.694 1.00 0.00 H new ATOM 59 N GLU A 4 10.536 -3.155 -16.389 1.00 0.00 N ATOM 60 CA GLU A 4 11.185 -3.948 -15.298 1.00 0.00 C ATOM 61 C GLU A 4 10.123 -4.509 -14.332 1.00 0.00 C ATOM 62 O GLU A 4 10.294 -4.536 -13.126 1.00 0.00 O ATOM 63 CB GLU A 4 12.171 -3.027 -14.556 1.00 0.00 C ATOM 64 CG GLU A 4 11.526 -1.645 -14.240 1.00 0.00 C ATOM 65 CD GLU A 4 12.314 -0.906 -13.135 1.00 0.00 C ATOM 66 OE1 GLU A 4 13.534 -0.915 -13.212 1.00 0.00 O ATOM 67 OE2 GLU A 4 11.646 -0.364 -12.268 1.00 0.00 O ATOM 0 H GLU A 4 10.279 -2.204 -16.124 1.00 0.00 H new ATOM 0 HA GLU A 4 11.721 -4.798 -15.720 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.489 -3.503 -13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.065 -2.883 -15.163 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.502 -1.036 -15.144 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.493 -1.786 -13.923 1.00 0.00 H new ATOM 74 N GLY A 5 9.048 -4.944 -14.932 1.00 0.00 N ATOM 75 CA GLY A 5 7.865 -5.438 -14.162 1.00 0.00 C ATOM 76 C GLY A 5 6.552 -5.191 -14.921 1.00 0.00 C ATOM 77 O GLY A 5 6.554 -4.947 -16.112 1.00 0.00 O ATOM 0 H GLY A 5 8.936 -4.979 -15.945 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.977 -6.504 -13.966 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.826 -4.938 -13.194 1.00 0.00 H new ATOM 81 N TYR A 6 5.473 -5.270 -14.179 1.00 0.00 N ATOM 82 CA TYR A 6 4.106 -4.974 -14.729 1.00 0.00 C ATOM 83 C TYR A 6 3.778 -3.493 -14.519 1.00 0.00 C ATOM 84 O TYR A 6 4.180 -2.910 -13.529 1.00 0.00 O ATOM 85 CB TYR A 6 3.018 -5.829 -14.003 1.00 0.00 C ATOM 86 CG TYR A 6 3.601 -7.056 -13.282 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.395 -7.960 -13.959 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.339 -7.265 -11.943 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.916 -9.053 -13.303 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.861 -8.360 -11.288 1.00 0.00 C ATOM 91 CZ TYR A 6 4.657 -9.262 -11.965 1.00 0.00 C ATOM 92 OH TYR A 6 5.183 -10.361 -11.317 1.00 0.00 O ATOM 0 H TYR A 6 5.480 -5.533 -13.193 1.00 0.00 H new ATOM 0 HA TYR A 6 4.107 -5.219 -15.791 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.495 -5.204 -13.279 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.278 -6.160 -14.732 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.608 -7.809 -15.007 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.719 -6.564 -11.403 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.535 -9.755 -13.843 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.646 -8.513 -10.241 1.00 0.00 H new ATOM 0 HH TYR A 6 4.902 -10.353 -10.378 1.00 0.00 H new ATOM 102 N GLN A 7 3.053 -2.944 -15.466 1.00 0.00 N ATOM 103 CA GLN A 7 2.689 -1.494 -15.391 1.00 0.00 C ATOM 104 C GLN A 7 1.184 -1.233 -15.481 1.00 0.00 C ATOM 105 O GLN A 7 0.405 -2.056 -15.926 1.00 0.00 O ATOM 106 CB GLN A 7 3.401 -0.748 -16.529 1.00 0.00 C ATOM 107 CG GLN A 7 4.870 -0.520 -16.139 1.00 0.00 C ATOM 108 CD GLN A 7 5.668 0.126 -17.289 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.123 0.311 -18.464 1.00 0.00 O flip ATOM 110 NE2 GLN A 7 6.820 0.472 -17.118 1.00 0.00 N flip ATOM 0 H GLN A 7 2.699 -3.437 -16.286 1.00 0.00 H new ATOM 0 HA GLN A 7 3.008 -1.134 -14.413 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.342 -1.325 -17.452 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.910 0.206 -16.718 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.918 0.120 -15.258 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.327 -1.472 -15.868 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.264 0.337 -16.210 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.344 0.898 -17.883 1.00 0.00 H new ATOM 119 N TYR A 8 0.861 -0.048 -15.032 1.00 0.00 N ATOM 120 CA TYR A 8 -0.543 0.437 -14.929 1.00 0.00 C ATOM 121 C TYR A 8 -0.537 1.904 -15.382 1.00 0.00 C ATOM 122 O TYR A 8 0.473 2.574 -15.290 1.00 0.00 O ATOM 123 CB TYR A 8 -1.019 0.344 -13.469 1.00 0.00 C ATOM 124 CG TYR A 8 -1.088 -1.126 -13.033 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.063 -1.815 -12.705 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.302 -1.781 -12.963 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.005 -3.132 -12.318 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.359 -3.103 -12.574 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.206 -3.788 -12.246 1.00 0.00 C ATOM 130 OH TYR A 8 -1.269 -5.113 -11.860 1.00 0.00 O ATOM 0 H TYR A 8 1.551 0.634 -14.718 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.214 -0.162 -15.545 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.337 0.893 -12.820 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.000 0.809 -13.367 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.018 -1.314 -12.753 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.211 -1.255 -13.214 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.915 -3.658 -12.068 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.313 -3.606 -12.526 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.429 -5.367 -11.424 1.00 0.00 H new ATOM 140 N ARG A 9 -1.673 2.353 -15.852 1.00 0.00 N ATOM 141 CA ARG A 9 -1.815 3.766 -16.310 1.00 0.00 C ATOM 142 C ARG A 9 -2.960 4.409 -15.525 1.00 0.00 C ATOM 143 O ARG A 9 -4.078 3.932 -15.565 1.00 0.00 O ATOM 144 CB ARG A 9 -2.114 3.753 -17.822 1.00 0.00 C ATOM 145 CG ARG A 9 -2.243 5.195 -18.372 1.00 0.00 C ATOM 146 CD ARG A 9 -1.911 5.195 -19.880 1.00 0.00 C ATOM 147 NE ARG A 9 -2.607 6.349 -20.527 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.687 6.155 -21.240 1.00 0.00 C ATOM 149 NH1 ARG A 9 -4.675 5.468 -20.733 1.00 0.00 N ATOM 150 NH2 ARG A 9 -3.744 6.656 -22.442 1.00 0.00 N ATOM 0 H ARG A 9 -2.520 1.791 -15.938 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.905 4.341 -16.137 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.318 3.228 -18.350 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.037 3.204 -18.010 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.254 5.570 -18.210 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.566 5.862 -17.838 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.834 5.272 -20.029 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.230 4.258 -20.337 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.238 7.293 -20.412 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.601 5.088 -19.789 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.521 5.311 -21.281 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.956 7.188 -22.811 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.577 6.516 -23.014 1.00 0.00 H new ATOM 164 N ALA A 10 -2.636 5.473 -14.832 1.00 0.00 N ATOM 165 CA ALA A 10 -3.687 6.284 -14.138 1.00 0.00 C ATOM 166 C ALA A 10 -4.811 6.693 -15.104 1.00 0.00 C ATOM 167 O ALA A 10 -4.566 6.940 -16.271 1.00 0.00 O ATOM 168 CB ALA A 10 -3.031 7.543 -13.539 1.00 0.00 C ATOM 0 H ALA A 10 -1.683 5.817 -14.716 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.131 5.676 -13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.788 8.141 -13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.262 7.248 -12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.578 8.132 -14.337 1.00 0.00 H new ATOM 174 N LEU A 11 -6.008 6.751 -14.578 1.00 0.00 N ATOM 175 CA LEU A 11 -7.217 7.058 -15.404 1.00 0.00 C ATOM 176 C LEU A 11 -7.713 8.478 -15.092 1.00 0.00 C ATOM 177 O LEU A 11 -8.095 9.210 -15.985 1.00 0.00 O ATOM 178 CB LEU A 11 -8.307 6.030 -15.074 1.00 0.00 C ATOM 179 CG LEU A 11 -9.341 5.965 -16.239 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.851 4.952 -17.319 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.731 5.547 -15.678 1.00 0.00 C ATOM 0 H LEU A 11 -6.203 6.595 -13.589 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.971 7.004 -16.464 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.859 5.049 -14.918 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.808 6.303 -14.145 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.435 6.946 -16.704 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.575 4.908 -18.132 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.886 5.275 -17.710 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.749 3.964 -16.871 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.454 5.502 -16.493 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.654 4.567 -15.207 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.061 6.279 -14.941 1.00 0.00 H new ATOM 193 N TYR A 12 -7.692 8.807 -13.826 1.00 0.00 N ATOM 194 CA TYR A 12 -8.167 10.146 -13.360 1.00 0.00 C ATOM 195 C TYR A 12 -7.277 10.659 -12.227 1.00 0.00 C ATOM 196 O TYR A 12 -6.691 9.882 -11.495 1.00 0.00 O ATOM 197 CB TYR A 12 -9.628 10.011 -12.874 1.00 0.00 C ATOM 198 CG TYR A 12 -10.555 10.734 -13.859 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.737 12.099 -13.763 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.212 10.033 -14.849 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.565 12.754 -14.646 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.040 10.690 -15.734 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.222 12.054 -15.638 1.00 0.00 C ATOM 204 OH TYR A 12 -13.053 12.709 -16.525 1.00 0.00 O ATOM 0 H TYR A 12 -7.360 8.193 -13.082 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.117 10.861 -14.181 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.904 8.959 -12.801 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.733 10.438 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.227 12.656 -12.991 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.077 8.965 -14.931 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.702 13.822 -14.562 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.549 10.134 -16.507 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.432 12.063 -17.157 1.00 0.00 H new ATOM 214 N ASP A 13 -7.211 11.962 -12.121 1.00 0.00 N ATOM 215 CA ASP A 13 -6.480 12.609 -10.990 1.00 0.00 C ATOM 216 C ASP A 13 -7.168 12.297 -9.653 1.00 0.00 C ATOM 217 O ASP A 13 -8.339 12.583 -9.478 1.00 0.00 O ATOM 218 CB ASP A 13 -6.447 14.132 -11.226 1.00 0.00 C ATOM 219 CG ASP A 13 -5.807 14.819 -10.001 1.00 0.00 C ATOM 220 OD1 ASP A 13 -4.588 14.802 -9.946 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.572 15.315 -9.190 1.00 0.00 O ATOM 0 H ASP A 13 -7.639 12.613 -12.779 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.463 12.219 -10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.876 14.361 -12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.457 14.510 -11.384 1.00 0.00 H new ATOM 226 N TYR A 14 -6.405 11.721 -8.760 1.00 0.00 N ATOM 227 CA TYR A 14 -6.877 11.457 -7.367 1.00 0.00 C ATOM 228 C TYR A 14 -5.918 12.132 -6.376 1.00 0.00 C ATOM 229 O TYR A 14 -4.714 12.066 -6.535 1.00 0.00 O ATOM 230 CB TYR A 14 -6.914 9.921 -7.178 1.00 0.00 C ATOM 231 CG TYR A 14 -6.833 9.482 -5.699 1.00 0.00 C ATOM 232 CD1 TYR A 14 -5.605 9.268 -5.101 1.00 0.00 C ATOM 233 CD2 TYR A 14 -7.978 9.290 -4.952 1.00 0.00 C ATOM 234 CE1 TYR A 14 -5.524 8.866 -3.788 1.00 0.00 C ATOM 235 CE2 TYR A 14 -7.895 8.886 -3.634 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.668 8.671 -3.041 1.00 0.00 C ATOM 237 OH TYR A 14 -6.584 8.264 -1.724 1.00 0.00 O ATOM 0 H TYR A 14 -5.450 11.415 -8.943 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.872 11.865 -7.188 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.833 9.531 -7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.085 9.475 -7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.700 9.418 -5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.946 9.457 -5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.556 8.701 -3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.799 8.737 -3.062 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.486 8.177 -1.350 1.00 0.00 H new ATOM 247 N LYS A 15 -6.497 12.758 -5.383 1.00 0.00 N ATOM 248 CA LYS A 15 -5.706 13.363 -4.269 1.00 0.00 C ATOM 249 C LYS A 15 -5.622 12.365 -3.107 1.00 0.00 C ATOM 250 O LYS A 15 -6.507 11.551 -2.929 1.00 0.00 O ATOM 251 CB LYS A 15 -6.414 14.658 -3.822 1.00 0.00 C ATOM 252 CG LYS A 15 -5.586 15.886 -4.256 1.00 0.00 C ATOM 253 CD LYS A 15 -6.432 17.159 -4.038 1.00 0.00 C ATOM 254 CE LYS A 15 -5.644 18.408 -4.487 1.00 0.00 C ATOM 255 NZ LYS A 15 -6.577 19.420 -5.064 1.00 0.00 N ATOM 0 H LYS A 15 -7.506 12.877 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.693 13.597 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.411 14.707 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.541 14.658 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.663 15.942 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.301 15.797 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.363 17.086 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.701 17.249 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.110 18.836 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.894 18.129 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.038 20.258 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.067 19.012 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.276 19.697 -4.346 1.00 0.00 H new ATOM 269 N LYS A 16 -4.559 12.465 -2.349 1.00 0.00 N ATOM 270 CA LYS A 16 -4.348 11.527 -1.199 1.00 0.00 C ATOM 271 C LYS A 16 -4.987 12.098 0.079 1.00 0.00 C ATOM 272 O LYS A 16 -4.788 13.250 0.411 1.00 0.00 O ATOM 273 CB LYS A 16 -2.822 11.317 -0.986 1.00 0.00 C ATOM 274 CG LYS A 16 -2.062 12.662 -0.781 1.00 0.00 C ATOM 275 CD LYS A 16 -1.643 12.814 0.702 1.00 0.00 C ATOM 276 CE LYS A 16 -1.076 14.229 0.938 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.511 14.329 2.316 1.00 0.00 N ATOM 0 H LYS A 16 -3.823 13.159 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.820 10.570 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.663 10.677 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.406 10.795 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.180 12.692 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.698 13.497 -1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.501 12.642 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.894 12.064 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.302 14.447 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.862 14.972 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.131 15.285 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.260 14.140 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.252 13.632 2.430 1.00 0.00 H new ATOM 291 N GLU A 17 -5.743 11.261 0.746 1.00 0.00 N ATOM 292 CA GLU A 17 -6.440 11.661 2.014 1.00 0.00 C ATOM 293 C GLU A 17 -5.809 10.952 3.224 1.00 0.00 C ATOM 294 O GLU A 17 -6.093 11.289 4.357 1.00 0.00 O ATOM 295 CB GLU A 17 -7.935 11.288 1.890 1.00 0.00 C ATOM 296 CG GLU A 17 -8.799 12.216 2.787 1.00 0.00 C ATOM 297 CD GLU A 17 -10.248 11.688 2.926 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.776 11.188 1.944 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.758 11.820 4.027 1.00 0.00 O ATOM 0 H GLU A 17 -5.911 10.296 0.461 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.337 12.735 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.254 11.376 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.083 10.248 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.344 12.295 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.816 13.220 2.363 1.00 0.00 H new ATOM 306 N ARG A 18 -4.973 9.990 2.928 1.00 0.00 N ATOM 307 CA ARG A 18 -4.254 9.208 3.979 1.00 0.00 C ATOM 308 C ARG A 18 -2.743 9.364 3.789 1.00 0.00 C ATOM 309 O ARG A 18 -2.256 9.474 2.680 1.00 0.00 O ATOM 310 CB ARG A 18 -4.664 7.730 3.855 1.00 0.00 C ATOM 311 CG ARG A 18 -4.360 6.961 5.167 1.00 0.00 C ATOM 312 CD ARG A 18 -5.496 7.163 6.191 1.00 0.00 C ATOM 313 NE ARG A 18 -4.933 6.929 7.556 1.00 0.00 N ATOM 314 CZ ARG A 18 -5.519 6.101 8.381 1.00 0.00 C ATOM 315 NH1 ARG A 18 -5.233 4.829 8.311 1.00 0.00 N ATOM 316 NH2 ARG A 18 -6.369 6.567 9.254 1.00 0.00 N ATOM 0 H ARG A 18 -4.753 9.706 1.973 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.516 9.575 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.727 7.661 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.129 7.268 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.241 5.899 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.417 7.309 5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.904 8.171 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.315 6.472 5.993 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.086 7.418 7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.561 4.495 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.681 4.170 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.570 7.567 9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.833 5.932 9.903 1.00 0.00 H new ATOM 330 N GLU A 19 -2.053 9.363 4.900 1.00 0.00 N ATOM 331 CA GLU A 19 -0.555 9.346 4.898 1.00 0.00 C ATOM 332 C GLU A 19 0.025 8.080 4.250 1.00 0.00 C ATOM 333 O GLU A 19 1.176 8.053 3.856 1.00 0.00 O ATOM 334 CB GLU A 19 -0.078 9.461 6.352 1.00 0.00 C ATOM 335 CG GLU A 19 -0.367 10.892 6.862 1.00 0.00 C ATOM 336 CD GLU A 19 -0.262 10.999 8.402 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.498 10.248 8.997 1.00 0.00 O ATOM 338 OE2 GLU A 19 -0.967 11.854 8.910 1.00 0.00 O ATOM 0 H GLU A 19 -2.472 9.373 5.830 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.201 10.185 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.590 8.728 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.989 9.246 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.335 11.588 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.366 11.193 6.546 1.00 0.00 H new ATOM 345 N GLU A 20 -0.806 7.078 4.165 1.00 0.00 N ATOM 346 CA GLU A 20 -0.405 5.781 3.535 1.00 0.00 C ATOM 347 C GLU A 20 -0.526 5.847 2.001 1.00 0.00 C ATOM 348 O GLU A 20 0.073 5.051 1.305 1.00 0.00 O ATOM 349 CB GLU A 20 -1.314 4.652 4.088 1.00 0.00 C ATOM 350 CG GLU A 20 -0.466 3.478 4.628 1.00 0.00 C ATOM 351 CD GLU A 20 0.381 2.870 3.489 1.00 0.00 C ATOM 352 OE1 GLU A 20 -0.208 2.173 2.677 1.00 0.00 O ATOM 353 OE2 GLU A 20 1.573 3.138 3.494 1.00 0.00 O ATOM 0 H GLU A 20 -1.765 7.101 4.511 1.00 0.00 H new ATOM 0 HA GLU A 20 0.638 5.578 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.947 5.045 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.978 4.295 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.185 3.827 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.117 2.715 5.055 1.00 0.00 H new ATOM 360 N ASP A 21 -1.301 6.794 1.530 1.00 0.00 N ATOM 361 CA ASP A 21 -1.502 6.978 0.056 1.00 0.00 C ATOM 362 C ASP A 21 -0.615 8.108 -0.476 1.00 0.00 C ATOM 363 O ASP A 21 -0.091 8.901 0.283 1.00 0.00 O ATOM 364 CB ASP A 21 -2.988 7.309 -0.211 1.00 0.00 C ATOM 365 CG ASP A 21 -3.460 6.523 -1.449 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.077 6.929 -2.535 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.174 5.557 -1.241 1.00 0.00 O ATOM 0 H ASP A 21 -1.811 7.458 2.113 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.226 6.057 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.594 7.046 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.112 8.380 -0.374 1.00 0.00 H new ATOM 372 N ILE A 22 -0.486 8.134 -1.779 1.00 0.00 N ATOM 373 CA ILE A 22 0.321 9.187 -2.473 1.00 0.00 C ATOM 374 C ILE A 22 -0.527 9.911 -3.524 1.00 0.00 C ATOM 375 O ILE A 22 -1.616 9.486 -3.857 1.00 0.00 O ATOM 376 CB ILE A 22 1.547 8.528 -3.164 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.085 7.283 -3.989 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.589 8.108 -2.095 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.021 7.053 -5.189 1.00 0.00 C ATOM 0 H ILE A 22 -0.916 7.454 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 22 0.658 9.913 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 22 2.008 9.247 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.078 6.399 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.064 7.431 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.447 7.646 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.917 8.988 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.137 7.394 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.684 6.182 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.006 7.931 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.036 6.883 -4.831 1.00 0.00 H new ATOM 391 N ASP A 23 0.031 10.991 -4.009 1.00 0.00 N ATOM 392 CA ASP A 23 -0.685 11.872 -4.979 1.00 0.00 C ATOM 393 C ASP A 23 -0.699 11.207 -6.359 1.00 0.00 C ATOM 394 O ASP A 23 0.308 10.678 -6.793 1.00 0.00 O ATOM 395 CB ASP A 23 0.044 13.218 -5.036 1.00 0.00 C ATOM 396 CG ASP A 23 -0.064 13.895 -3.657 1.00 0.00 C ATOM 397 OD1 ASP A 23 0.816 13.640 -2.852 1.00 0.00 O ATOM 398 OD2 ASP A 23 -1.026 14.627 -3.486 1.00 0.00 O ATOM 0 H ASP A 23 0.971 11.305 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.717 12.030 -4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.090 13.070 -5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.395 13.854 -5.805 1.00 0.00 H new ATOM 403 N LEU A 24 -1.839 11.255 -7.002 1.00 0.00 N ATOM 404 CA LEU A 24 -2.005 10.590 -8.332 1.00 0.00 C ATOM 405 C LEU A 24 -2.523 11.584 -9.372 1.00 0.00 C ATOM 406 O LEU A 24 -3.436 12.343 -9.109 1.00 0.00 O ATOM 407 CB LEU A 24 -3.006 9.419 -8.209 1.00 0.00 C ATOM 408 CG LEU A 24 -2.521 8.360 -7.175 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.599 7.241 -7.044 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.158 7.741 -7.612 1.00 0.00 C ATOM 0 H LEU A 24 -2.672 11.732 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.033 10.216 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.981 9.802 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.136 8.946 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.377 8.847 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.265 6.497 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.538 7.679 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.748 6.764 -8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.840 7.004 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.272 7.257 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.408 8.528 -7.686 1.00 0.00 H new ATOM 422 N HIS A 25 -1.913 11.535 -10.528 1.00 0.00 N ATOM 423 CA HIS A 25 -2.185 12.537 -11.610 1.00 0.00 C ATOM 424 C HIS A 25 -2.378 11.781 -12.934 1.00 0.00 C ATOM 425 O HIS A 25 -2.373 10.566 -12.956 1.00 0.00 O ATOM 426 CB HIS A 25 -0.990 13.541 -11.744 1.00 0.00 C ATOM 427 CG HIS A 25 0.068 13.369 -10.654 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.133 13.372 -9.373 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.426 13.181 -10.786 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.996 13.199 -8.760 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.994 13.076 -9.598 1.00 0.00 N ATOM 0 H HIS A 25 -1.221 10.827 -10.776 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.082 13.106 -11.363 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.522 13.410 -12.719 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.375 14.560 -11.710 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.038 13.492 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.952 13.127 -11.728 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.101 13.161 -7.686 1.00 0.00 H new ATOM 439 N LEU A 26 -2.544 12.524 -14.000 1.00 0.00 N ATOM 440 CA LEU A 26 -2.744 11.899 -15.346 1.00 0.00 C ATOM 441 C LEU A 26 -1.392 11.557 -15.997 1.00 0.00 C ATOM 442 O LEU A 26 -0.375 12.120 -15.639 1.00 0.00 O ATOM 443 CB LEU A 26 -3.541 12.898 -16.211 1.00 0.00 C ATOM 444 CG LEU A 26 -5.026 12.938 -15.699 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.591 14.389 -15.767 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.911 11.965 -16.539 1.00 0.00 C ATOM 0 H LEU A 26 -2.550 13.544 -13.996 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.295 10.963 -15.252 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.094 13.890 -16.150 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.511 12.598 -17.259 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.044 12.615 -14.658 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.620 14.396 -15.408 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.985 15.045 -15.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.564 14.742 -16.798 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.938 12.001 -16.175 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.887 12.264 -17.587 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.527 10.949 -16.442 1.00 0.00 H new ATOM 458 N GLY A 27 -1.425 10.638 -16.933 1.00 0.00 N ATOM 459 CA GLY A 27 -0.174 10.176 -17.627 1.00 0.00 C ATOM 460 C GLY A 27 0.820 9.455 -16.696 1.00 0.00 C ATOM 461 O GLY A 27 1.821 8.935 -17.152 1.00 0.00 O ATOM 0 H GLY A 27 -2.279 10.180 -17.252 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.447 9.505 -18.441 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.321 11.037 -18.076 1.00 0.00 H new ATOM 465 N ASP A 28 0.514 9.449 -15.420 1.00 0.00 N ATOM 466 CA ASP A 28 1.430 8.848 -14.405 1.00 0.00 C ATOM 467 C ASP A 28 1.301 7.325 -14.467 1.00 0.00 C ATOM 468 O ASP A 28 0.282 6.767 -14.099 1.00 0.00 O ATOM 469 CB ASP A 28 1.034 9.374 -12.999 1.00 0.00 C ATOM 470 CG ASP A 28 2.171 10.217 -12.381 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.657 11.092 -13.083 1.00 0.00 O ATOM 472 OD2 ASP A 28 2.497 9.944 -11.237 1.00 0.00 O ATOM 0 H ASP A 28 -0.345 9.842 -15.036 1.00 0.00 H new ATOM 0 HA ASP A 28 2.465 9.124 -14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.129 9.977 -13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.803 8.534 -12.344 1.00 0.00 H new ATOM 477 N ILE A 29 2.350 6.705 -14.939 1.00 0.00 N ATOM 478 CA ILE A 29 2.394 5.216 -14.982 1.00 0.00 C ATOM 479 C ILE A 29 3.075 4.685 -13.733 1.00 0.00 C ATOM 480 O ILE A 29 4.069 5.218 -13.275 1.00 0.00 O ATOM 481 CB ILE A 29 3.148 4.800 -16.280 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.054 4.754 -17.365 1.00 0.00 C ATOM 483 CG2 ILE A 29 3.822 3.389 -16.168 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.636 4.985 -18.767 1.00 0.00 C ATOM 0 H ILE A 29 3.183 7.170 -15.299 1.00 0.00 H new ATOM 0 HA ILE A 29 1.390 4.791 -15.002 1.00 0.00 H new ATOM 0 HB ILE A 29 3.955 5.501 -16.492 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.551 3.787 -17.334 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.300 5.512 -17.154 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.332 3.154 -17.102 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.545 3.395 -15.352 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.059 2.636 -15.972 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.835 4.945 -19.505 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.116 5.963 -18.805 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.371 4.211 -18.988 1.00 0.00 H new ATOM 496 N LEU A 30 2.486 3.630 -13.238 1.00 0.00 N ATOM 497 CA LEU A 30 3.020 2.948 -12.035 1.00 0.00 C ATOM 498 C LEU A 30 3.692 1.637 -12.442 1.00 0.00 C ATOM 499 O LEU A 30 3.279 1.011 -13.400 1.00 0.00 O ATOM 500 CB LEU A 30 1.853 2.671 -11.058 1.00 0.00 C ATOM 501 CG LEU A 30 1.454 3.967 -10.301 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.838 5.004 -11.282 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.407 3.626 -9.208 1.00 0.00 C ATOM 0 H LEU A 30 1.643 3.208 -13.627 1.00 0.00 H new ATOM 0 HA LEU A 30 3.760 3.581 -11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.995 2.286 -11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.145 1.901 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 30 2.349 4.393 -9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.564 5.906 -10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.568 5.255 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.051 4.580 -11.749 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.127 4.535 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.477 3.191 -9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.835 2.912 -8.505 1.00 0.00 H new ATOM 515 N THR A 31 4.708 1.263 -11.703 1.00 0.00 N ATOM 516 CA THR A 31 5.427 -0.030 -11.967 1.00 0.00 C ATOM 517 C THR A 31 5.474 -0.852 -10.675 1.00 0.00 C ATOM 518 O THR A 31 5.543 -0.294 -9.597 1.00 0.00 O ATOM 519 CB THR A 31 6.846 0.301 -12.462 1.00 0.00 C ATOM 520 OG1 THR A 31 6.644 1.196 -13.549 1.00 0.00 O ATOM 521 CG2 THR A 31 7.556 -0.920 -13.099 1.00 0.00 C ATOM 0 H THR A 31 5.076 1.802 -10.919 1.00 0.00 H new ATOM 0 HA THR A 31 4.910 -0.617 -12.726 1.00 0.00 H new ATOM 0 HB THR A 31 7.440 0.668 -11.625 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.443 1.750 -13.669 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.553 -0.629 -13.430 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.637 -1.719 -12.362 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.978 -1.272 -13.953 1.00 0.00 H new ATOM 529 N VAL A 32 5.431 -2.152 -10.829 1.00 0.00 N ATOM 530 CA VAL A 32 5.487 -3.078 -9.647 1.00 0.00 C ATOM 531 C VAL A 32 6.716 -3.994 -9.800 1.00 0.00 C ATOM 532 O VAL A 32 7.677 -3.643 -10.459 1.00 0.00 O ATOM 533 CB VAL A 32 4.150 -3.946 -9.578 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.767 -4.234 -8.085 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.958 -3.253 -10.309 1.00 0.00 C ATOM 0 H VAL A 32 5.359 -2.620 -11.732 1.00 0.00 H new ATOM 0 HA VAL A 32 5.572 -2.505 -8.723 1.00 0.00 H new ATOM 0 HB VAL A 32 4.349 -4.886 -10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.853 -4.827 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.574 -4.784 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.607 -3.291 -7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.071 -3.882 -10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.758 -2.287 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.211 -3.105 -11.359 1.00 0.00 H new ATOM 545 N ASN A 33 6.635 -5.144 -9.178 1.00 0.00 N ATOM 546 CA ASN A 33 7.657 -6.218 -9.360 1.00 0.00 C ATOM 547 C ASN A 33 7.408 -7.057 -10.624 1.00 0.00 C ATOM 548 O ASN A 33 6.477 -6.828 -11.374 1.00 0.00 O ATOM 549 CB ASN A 33 7.633 -7.120 -8.104 1.00 0.00 C ATOM 550 CG ASN A 33 9.020 -7.119 -7.449 1.00 0.00 C ATOM 551 OD1 ASN A 33 10.008 -7.508 -8.042 1.00 0.00 O ATOM 552 ND2 ASN A 33 9.130 -6.691 -6.221 1.00 0.00 N ATOM 0 H ASN A 33 5.882 -5.388 -8.535 1.00 0.00 H new ATOM 0 HA ASN A 33 8.635 -5.753 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.885 -6.759 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.349 -8.136 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.041 -6.684 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.305 -6.364 -5.719 1.00 0.00 H new ATOM 559 N LYS A 34 8.288 -8.010 -10.792 1.00 0.00 N ATOM 560 CA LYS A 34 8.468 -8.736 -12.087 1.00 0.00 C ATOM 561 C LYS A 34 8.212 -10.237 -11.895 1.00 0.00 C ATOM 562 O LYS A 34 7.649 -10.871 -12.765 1.00 0.00 O ATOM 563 CB LYS A 34 9.917 -8.507 -12.608 1.00 0.00 C ATOM 564 CG LYS A 34 10.836 -7.936 -11.491 1.00 0.00 C ATOM 565 CD LYS A 34 12.308 -7.993 -11.933 1.00 0.00 C ATOM 566 CE LYS A 34 13.140 -6.892 -11.232 1.00 0.00 C ATOM 567 NZ LYS A 34 12.780 -6.775 -9.788 1.00 0.00 N ATOM 0 H LYS A 34 8.915 -8.328 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 34 7.754 -8.353 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.327 -9.448 -12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.897 -7.819 -13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.555 -6.906 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.702 -8.507 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.724 -8.973 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.372 -7.869 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.202 -7.120 -11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.974 -5.936 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.542 -6.284 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.896 -6.235 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.650 -7.725 -9.385 1.00 0.00 H new ATOM 581 N GLY A 35 8.632 -10.758 -10.768 1.00 0.00 N ATOM 582 CA GLY A 35 8.425 -12.211 -10.467 1.00 0.00 C ATOM 583 C GLY A 35 8.425 -12.446 -8.964 1.00 0.00 C ATOM 584 O GLY A 35 8.997 -13.402 -8.479 1.00 0.00 O ATOM 0 H GLY A 35 9.114 -10.235 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.480 -12.546 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.213 -12.802 -10.934 1.00 0.00 H new ATOM 588 N SER A 36 7.770 -11.554 -8.271 1.00 0.00 N ATOM 589 CA SER A 36 7.511 -11.766 -6.821 1.00 0.00 C ATOM 590 C SER A 36 6.213 -11.038 -6.479 1.00 0.00 C ATOM 591 O SER A 36 6.183 -10.036 -5.795 1.00 0.00 O ATOM 592 CB SER A 36 8.721 -11.217 -6.029 1.00 0.00 C ATOM 593 OG SER A 36 8.905 -9.877 -6.468 1.00 0.00 O ATOM 0 H SER A 36 7.401 -10.682 -8.651 1.00 0.00 H new ATOM 0 HA SER A 36 7.396 -12.819 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.533 -11.253 -4.956 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.613 -11.815 -6.217 1.00 0.00 H new ATOM 0 HG SER A 36 8.089 -9.362 -6.297 1.00 0.00 H new ATOM 599 N LEU A 37 5.173 -11.624 -7.015 1.00 0.00 N ATOM 600 CA LEU A 37 3.756 -11.257 -6.671 1.00 0.00 C ATOM 601 C LEU A 37 3.468 -11.254 -5.155 1.00 0.00 C ATOM 602 O LEU A 37 2.542 -10.608 -4.704 1.00 0.00 O ATOM 603 CB LEU A 37 2.808 -12.263 -7.376 1.00 0.00 C ATOM 604 CG LEU A 37 1.968 -11.525 -8.451 1.00 0.00 C ATOM 605 CD1 LEU A 37 1.117 -12.539 -9.276 1.00 0.00 C ATOM 606 CD2 LEU A 37 1.048 -10.464 -7.770 1.00 0.00 C ATOM 0 H LEU A 37 5.247 -12.372 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 37 3.590 -10.236 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.388 -13.061 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.150 -12.731 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 37 2.645 -11.016 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.535 -12.001 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.778 -13.250 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.442 -13.075 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.461 -9.950 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.378 -10.960 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.662 -9.740 -7.234 1.00 0.00 H new ATOM 618 N VAL A 38 4.275 -11.978 -4.425 1.00 0.00 N ATOM 619 CA VAL A 38 4.207 -11.989 -2.923 1.00 0.00 C ATOM 620 C VAL A 38 4.474 -10.594 -2.312 1.00 0.00 C ATOM 621 O VAL A 38 4.284 -10.382 -1.132 1.00 0.00 O ATOM 622 CB VAL A 38 5.251 -13.027 -2.397 1.00 0.00 C ATOM 623 CG1 VAL A 38 5.121 -13.206 -0.852 1.00 0.00 C ATOM 624 CG2 VAL A 38 5.042 -14.403 -3.106 1.00 0.00 C ATOM 0 H VAL A 38 5.000 -12.581 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 38 3.198 -12.269 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 38 6.250 -12.653 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.857 -13.933 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.296 -12.250 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.119 -13.561 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.774 -15.119 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.037 -14.770 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.169 -14.281 -4.182 1.00 0.00 H new ATOM 634 N ALA A 39 4.906 -9.688 -3.151 1.00 0.00 N ATOM 635 CA ALA A 39 4.930 -8.224 -2.816 1.00 0.00 C ATOM 636 C ALA A 39 3.599 -7.731 -2.230 1.00 0.00 C ATOM 637 O ALA A 39 3.574 -6.760 -1.500 1.00 0.00 O ATOM 638 CB ALA A 39 5.248 -7.413 -4.088 1.00 0.00 C ATOM 0 H ALA A 39 5.255 -9.906 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 39 5.700 -8.079 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.266 -6.350 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.221 -7.713 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.482 -7.601 -4.841 1.00 0.00 H new ATOM 644 N LEU A 40 2.541 -8.418 -2.570 1.00 0.00 N ATOM 645 CA LEU A 40 1.167 -8.010 -2.140 1.00 0.00 C ATOM 646 C LEU A 40 0.556 -9.116 -1.266 1.00 0.00 C ATOM 647 O LEU A 40 -0.502 -8.939 -0.693 1.00 0.00 O ATOM 648 CB LEU A 40 0.321 -7.774 -3.405 1.00 0.00 C ATOM 649 CG LEU A 40 0.978 -6.645 -4.271 1.00 0.00 C ATOM 650 CD1 LEU A 40 0.483 -6.725 -5.743 1.00 0.00 C ATOM 651 CD2 LEU A 40 0.658 -5.250 -3.661 1.00 0.00 C ATOM 0 H LEU A 40 2.570 -9.263 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 40 1.198 -7.094 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.248 -8.695 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.694 -7.490 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 40 2.059 -6.788 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.951 -5.933 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.751 -7.694 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.600 -6.605 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.119 -4.472 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.422 -5.102 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.052 -5.198 -2.646 1.00 0.00 H new ATOM 663 N GLY A 41 1.258 -10.224 -1.196 1.00 0.00 N ATOM 664 CA GLY A 41 0.714 -11.453 -0.546 1.00 0.00 C ATOM 665 C GLY A 41 -0.328 -12.152 -1.419 1.00 0.00 C ATOM 666 O GLY A 41 -1.188 -12.855 -0.925 1.00 0.00 O ATOM 0 H GLY A 41 2.202 -10.326 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.531 -12.143 -0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.265 -11.188 0.411 1.00 0.00 H new ATOM 670 N PHE A 42 -0.202 -11.925 -2.697 1.00 0.00 N ATOM 671 CA PHE A 42 -1.181 -12.471 -3.691 1.00 0.00 C ATOM 672 C PHE A 42 -0.702 -13.838 -4.197 1.00 0.00 C ATOM 673 O PHE A 42 0.484 -14.114 -4.205 1.00 0.00 O ATOM 674 CB PHE A 42 -1.304 -11.479 -4.870 1.00 0.00 C ATOM 675 CG PHE A 42 -2.647 -10.735 -4.787 1.00 0.00 C ATOM 676 CD1 PHE A 42 -2.884 -9.829 -3.768 1.00 0.00 C ATOM 677 CD2 PHE A 42 -3.634 -10.964 -5.729 1.00 0.00 C ATOM 678 CE1 PHE A 42 -4.089 -9.162 -3.691 1.00 0.00 C ATOM 679 CE2 PHE A 42 -4.841 -10.298 -5.655 1.00 0.00 C ATOM 680 CZ PHE A 42 -5.069 -9.396 -4.635 1.00 0.00 C ATOM 0 H PHE A 42 0.552 -11.373 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.155 -12.598 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.480 -10.765 -4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.232 -12.014 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.120 -9.643 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.459 -11.669 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.266 -8.457 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.606 -10.482 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.013 -8.874 -4.576 1.00 0.00 H new ATOM 690 N SER A 43 -1.649 -14.649 -4.605 1.00 0.00 N ATOM 691 CA SER A 43 -1.331 -16.036 -5.069 1.00 0.00 C ATOM 692 C SER A 43 -2.341 -16.495 -6.135 1.00 0.00 C ATOM 693 O SER A 43 -2.689 -17.657 -6.212 1.00 0.00 O ATOM 694 CB SER A 43 -1.356 -16.974 -3.836 1.00 0.00 C ATOM 695 OG SER A 43 -0.632 -18.129 -4.247 1.00 0.00 O ATOM 0 H SER A 43 -2.639 -14.406 -4.636 1.00 0.00 H new ATOM 0 HA SER A 43 -0.343 -16.062 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.891 -16.503 -2.970 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.377 -17.227 -3.551 1.00 0.00 H new ATOM 0 HG SER A 43 -1.059 -18.518 -5.039 1.00 0.00 H new ATOM 701 N ASP A 44 -2.777 -15.548 -6.925 1.00 0.00 N ATOM 702 CA ASP A 44 -3.754 -15.822 -8.024 1.00 0.00 C ATOM 703 C ASP A 44 -3.008 -15.963 -9.356 1.00 0.00 C ATOM 704 O ASP A 44 -3.138 -16.963 -10.034 1.00 0.00 O ATOM 705 CB ASP A 44 -4.759 -14.653 -8.104 1.00 0.00 C ATOM 706 CG ASP A 44 -6.153 -15.148 -7.680 1.00 0.00 C ATOM 707 OD1 ASP A 44 -6.783 -15.779 -8.516 1.00 0.00 O ATOM 708 OD2 ASP A 44 -6.510 -14.867 -6.547 1.00 0.00 O ATOM 0 H ASP A 44 -2.490 -14.572 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.288 -16.750 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.438 -13.838 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.794 -14.258 -9.119 1.00 0.00 H new ATOM 713 N GLY A 45 -2.254 -14.939 -9.675 1.00 0.00 N ATOM 714 CA GLY A 45 -1.501 -14.897 -10.966 1.00 0.00 C ATOM 715 C GLY A 45 -2.260 -14.123 -12.051 1.00 0.00 C ATOM 716 O GLY A 45 -1.871 -14.148 -13.204 1.00 0.00 O ATOM 0 H GLY A 45 -2.127 -14.117 -9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.528 -14.433 -10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.315 -15.914 -11.310 1.00 0.00 H new ATOM 720 N GLN A 46 -3.318 -13.462 -11.654 1.00 0.00 N ATOM 721 CA GLN A 46 -4.151 -12.693 -12.632 1.00 0.00 C ATOM 722 C GLN A 46 -3.355 -11.501 -13.193 1.00 0.00 C ATOM 723 O GLN A 46 -2.959 -11.538 -14.342 1.00 0.00 O ATOM 724 CB GLN A 46 -5.447 -12.204 -11.917 1.00 0.00 C ATOM 725 CG GLN A 46 -6.629 -12.275 -12.908 1.00 0.00 C ATOM 726 CD GLN A 46 -7.847 -11.476 -12.419 1.00 0.00 C ATOM 727 OE1 GLN A 46 -7.681 -10.327 -11.816 1.00 0.00 O flip ATOM 728 NE2 GLN A 46 -8.972 -11.903 -12.586 1.00 0.00 N flip ATOM 0 H GLN A 46 -3.644 -13.421 -10.688 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.422 -13.336 -13.469 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.651 -12.823 -11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.317 -11.182 -11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.311 -11.892 -13.878 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.915 -13.316 -13.055 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.114 -12.798 -13.055 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.775 -11.367 -12.257 1.00 0.00 H new ATOM 737 N GLU A 47 -3.146 -10.489 -12.375 1.00 0.00 N ATOM 738 CA GLU A 47 -2.316 -9.302 -12.778 1.00 0.00 C ATOM 739 C GLU A 47 -2.785 -8.771 -14.147 1.00 0.00 C ATOM 740 O GLU A 47 -2.049 -8.784 -15.115 1.00 0.00 O ATOM 741 CB GLU A 47 -0.841 -9.753 -12.826 1.00 0.00 C ATOM 742 CG GLU A 47 0.113 -8.547 -12.622 1.00 0.00 C ATOM 743 CD GLU A 47 0.437 -8.375 -11.125 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.036 -9.296 -10.593 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.072 -7.338 -10.595 1.00 0.00 O ATOM 0 H GLU A 47 -3.523 -10.436 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.426 -8.489 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.660 -10.500 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.633 -10.229 -13.784 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.033 -8.702 -13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.349 -7.639 -13.009 1.00 0.00 H new ATOM 752 N ALA A 48 -4.016 -8.330 -14.182 1.00 0.00 N ATOM 753 CA ALA A 48 -4.636 -7.854 -15.465 1.00 0.00 C ATOM 754 C ALA A 48 -6.057 -7.303 -15.308 1.00 0.00 C ATOM 755 O ALA A 48 -6.491 -6.533 -16.143 1.00 0.00 O ATOM 756 CB ALA A 48 -4.661 -9.026 -16.494 1.00 0.00 C ATOM 0 H ALA A 48 -4.629 -8.277 -13.369 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.016 -7.027 -15.811 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.111 -8.683 -17.426 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.643 -9.364 -16.685 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.247 -9.852 -16.091 1.00 0.00 H new ATOM 762 N LYS A 49 -6.736 -7.704 -14.261 1.00 0.00 N ATOM 763 CA LYS A 49 -8.108 -7.176 -13.979 1.00 0.00 C ATOM 764 C LYS A 49 -8.110 -6.482 -12.594 1.00 0.00 C ATOM 765 O LYS A 49 -8.535 -7.082 -11.622 1.00 0.00 O ATOM 766 CB LYS A 49 -9.111 -8.364 -14.013 1.00 0.00 C ATOM 767 CG LYS A 49 -9.729 -8.540 -15.419 1.00 0.00 C ATOM 768 CD LYS A 49 -8.831 -9.472 -16.273 1.00 0.00 C ATOM 769 CE LYS A 49 -9.251 -9.473 -17.759 1.00 0.00 C ATOM 770 NZ LYS A 49 -10.733 -9.486 -17.920 1.00 0.00 N ATOM 0 H LYS A 49 -6.394 -8.383 -13.581 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.404 -6.443 -14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.601 -9.282 -13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.903 -8.194 -13.284 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.731 -8.961 -15.336 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.830 -7.570 -15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.792 -9.152 -16.190 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.884 -10.487 -15.880 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.840 -8.592 -18.252 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.825 -10.344 -18.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.973 -9.724 -18.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.145 -10.196 -17.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.116 -8.547 -17.687 1.00 0.00 H new ATOM 784 N PRO A 50 -7.647 -5.250 -12.526 1.00 0.00 N ATOM 785 CA PRO A 50 -7.671 -4.443 -11.272 1.00 0.00 C ATOM 786 C PRO A 50 -9.091 -4.320 -10.699 1.00 0.00 C ATOM 787 O PRO A 50 -9.265 -4.073 -9.520 1.00 0.00 O ATOM 788 CB PRO A 50 -7.084 -3.076 -11.631 1.00 0.00 C ATOM 789 CG PRO A 50 -6.652 -3.136 -13.120 1.00 0.00 C ATOM 790 CD PRO A 50 -7.048 -4.517 -13.673 1.00 0.00 C ATOM 0 HA PRO A 50 -7.086 -4.925 -10.489 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.822 -2.288 -11.476 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.231 -2.844 -10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.137 -2.344 -13.690 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.577 -2.982 -13.212 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.760 -4.422 -14.492 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.180 -5.046 -14.066 1.00 0.00 H new ATOM 798 N GLU A 51 -10.049 -4.501 -11.572 1.00 0.00 N ATOM 799 CA GLU A 51 -11.494 -4.385 -11.213 1.00 0.00 C ATOM 800 C GLU A 51 -11.851 -5.205 -9.966 1.00 0.00 C ATOM 801 O GLU A 51 -12.597 -4.740 -9.125 1.00 0.00 O ATOM 802 CB GLU A 51 -12.334 -4.865 -12.415 1.00 0.00 C ATOM 803 CG GLU A 51 -12.463 -3.760 -13.490 1.00 0.00 C ATOM 804 CD GLU A 51 -11.073 -3.229 -13.899 1.00 0.00 C ATOM 805 OE1 GLU A 51 -10.394 -3.964 -14.598 1.00 0.00 O ATOM 806 OE2 GLU A 51 -10.766 -2.121 -13.486 1.00 0.00 O ATOM 0 H GLU A 51 -9.882 -4.732 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.709 -3.342 -10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.872 -5.749 -12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.326 -5.160 -12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.978 -4.156 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.071 -2.941 -13.105 1.00 0.00 H new ATOM 813 N GLU A 52 -11.308 -6.395 -9.882 1.00 0.00 N ATOM 814 CA GLU A 52 -11.558 -7.261 -8.684 1.00 0.00 C ATOM 815 C GLU A 52 -10.460 -7.085 -7.625 1.00 0.00 C ATOM 816 O GLU A 52 -10.722 -7.247 -6.449 1.00 0.00 O ATOM 817 CB GLU A 52 -11.627 -8.741 -9.127 1.00 0.00 C ATOM 818 CG GLU A 52 -10.492 -9.074 -10.112 1.00 0.00 C ATOM 819 CD GLU A 52 -10.412 -10.595 -10.304 1.00 0.00 C ATOM 820 OE1 GLU A 52 -11.258 -11.100 -11.027 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.509 -11.173 -9.721 1.00 0.00 O ATOM 0 H GLU A 52 -10.701 -6.806 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.505 -6.961 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.558 -9.390 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.591 -8.940 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.671 -8.585 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.543 -8.694 -9.733 1.00 0.00 H new ATOM 828 N ILE A 53 -9.266 -6.761 -8.060 1.00 0.00 N ATOM 829 CA ILE A 53 -8.146 -6.529 -7.089 1.00 0.00 C ATOM 830 C ILE A 53 -8.461 -5.303 -6.216 1.00 0.00 C ATOM 831 O ILE A 53 -9.078 -4.361 -6.678 1.00 0.00 O ATOM 832 CB ILE A 53 -6.811 -6.278 -7.848 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.612 -7.363 -8.943 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.615 -6.351 -6.846 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.349 -7.059 -9.775 1.00 0.00 C ATOM 0 H ILE A 53 -9.017 -6.647 -9.043 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.043 -7.416 -6.463 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.850 -5.292 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.522 -8.345 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.485 -7.397 -9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.681 -6.175 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.740 -5.592 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.588 -7.338 -6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.222 -7.827 -10.538 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.454 -6.086 -10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.477 -7.049 -9.122 1.00 0.00 H new ATOM 847 N GLY A 54 -8.024 -5.358 -4.983 1.00 0.00 N ATOM 848 CA GLY A 54 -8.370 -4.283 -4.009 1.00 0.00 C ATOM 849 C GLY A 54 -7.312 -3.186 -4.082 1.00 0.00 C ATOM 850 O GLY A 54 -7.370 -2.314 -4.926 1.00 0.00 O ATOM 0 H GLY A 54 -7.440 -6.106 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.354 -3.872 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.420 -4.691 -3.000 1.00 0.00 H new ATOM 854 N TRP A 55 -6.377 -3.285 -3.180 1.00 0.00 N ATOM 855 CA TRP A 55 -5.256 -2.300 -3.100 1.00 0.00 C ATOM 856 C TRP A 55 -4.010 -2.856 -3.792 1.00 0.00 C ATOM 857 O TRP A 55 -3.590 -3.961 -3.513 1.00 0.00 O ATOM 858 CB TRP A 55 -4.984 -2.022 -1.622 1.00 0.00 C ATOM 859 CG TRP A 55 -6.056 -1.046 -1.145 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.250 -1.397 -0.587 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.980 0.301 -1.216 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.817 -0.228 -0.361 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.132 0.851 -0.705 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.979 1.124 -1.695 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.293 2.221 -0.669 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.136 2.488 -1.653 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.291 3.041 -1.143 1.00 0.00 C ATOM 0 H TRP A 55 -6.340 -4.024 -2.477 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.523 -1.373 -3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.019 -2.945 -1.044 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.989 -1.598 -1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.635 -2.385 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.743 -0.158 0.061 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.075 0.696 -2.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.201 2.650 -0.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.350 3.131 -2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.411 4.114 -1.115 1.00 0.00 H new ATOM 878 N LEU A 56 -3.459 -2.065 -4.678 1.00 0.00 N ATOM 879 CA LEU A 56 -2.144 -2.397 -5.304 1.00 0.00 C ATOM 880 C LEU A 56 -1.098 -1.452 -4.709 1.00 0.00 C ATOM 881 O LEU A 56 -1.345 -0.270 -4.572 1.00 0.00 O ATOM 882 CB LEU A 56 -2.231 -2.194 -6.831 1.00 0.00 C ATOM 883 CG LEU A 56 -3.393 -3.030 -7.451 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.696 -2.188 -7.485 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.029 -3.511 -8.889 1.00 0.00 C ATOM 0 H LEU A 56 -3.872 -1.189 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.874 -3.435 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.383 -1.137 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.287 -2.483 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.551 -3.909 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.501 -2.781 -7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.967 -1.896 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.536 -1.295 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.856 -4.091 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.842 -2.646 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.134 -4.132 -8.849 1.00 0.00 H new ATOM 897 N ASN A 57 0.035 -2.006 -4.375 1.00 0.00 N ATOM 898 CA ASN A 57 1.189 -1.201 -3.885 1.00 0.00 C ATOM 899 C ASN A 57 2.219 -1.117 -5.020 1.00 0.00 C ATOM 900 O ASN A 57 2.636 -2.132 -5.546 1.00 0.00 O ATOM 901 CB ASN A 57 1.786 -1.899 -2.653 1.00 0.00 C ATOM 902 CG ASN A 57 2.666 -0.925 -1.858 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.224 0.276 -1.614 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.764 -1.249 -1.454 1.00 0.00 N flip ATOM 0 H ASN A 57 0.213 -3.009 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 57 0.884 -0.194 -3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.985 -2.276 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.377 -2.760 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.119 -2.187 -1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.331 -0.583 -0.929 1.00 0.00 H new ATOM 911 N GLY A 58 2.597 0.085 -5.369 1.00 0.00 N ATOM 912 CA GLY A 58 3.693 0.280 -6.368 1.00 0.00 C ATOM 913 C GLY A 58 4.337 1.652 -6.170 1.00 0.00 C ATOM 914 O GLY A 58 4.154 2.283 -5.148 1.00 0.00 O ATOM 0 H GLY A 58 2.192 0.946 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.443 -0.503 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.294 0.198 -7.379 1.00 0.00 H new ATOM 918 N TYR A 59 5.081 2.064 -7.164 1.00 0.00 N ATOM 919 CA TYR A 59 5.788 3.374 -7.103 1.00 0.00 C ATOM 920 C TYR A 59 5.671 4.118 -8.440 1.00 0.00 C ATOM 921 O TYR A 59 5.629 3.511 -9.492 1.00 0.00 O ATOM 922 CB TYR A 59 7.262 3.096 -6.746 1.00 0.00 C ATOM 923 CG TYR A 59 7.893 2.088 -7.728 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.708 0.728 -7.562 1.00 0.00 C ATOM 925 CD2 TYR A 59 8.656 2.535 -8.789 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.276 -0.166 -8.441 1.00 0.00 C ATOM 927 CE2 TYR A 59 9.224 1.638 -9.668 1.00 0.00 C ATOM 928 CZ TYR A 59 9.039 0.280 -9.499 1.00 0.00 C ATOM 929 OH TYR A 59 9.606 -0.616 -10.379 1.00 0.00 O ATOM 0 H TYR A 59 5.229 1.539 -8.026 1.00 0.00 H new ATOM 0 HA TYR A 59 5.337 4.014 -6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.826 4.029 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.326 2.706 -5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.114 0.365 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.809 3.595 -8.931 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.123 -1.226 -8.301 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.818 2.000 -10.494 1.00 0.00 H new ATOM 0 HH TYR A 59 10.328 -0.176 -10.874 1.00 0.00 H new ATOM 939 N ASN A 60 5.619 5.422 -8.330 1.00 0.00 N ATOM 940 CA ASN A 60 5.494 6.309 -9.534 1.00 0.00 C ATOM 941 C ASN A 60 6.876 6.893 -9.868 1.00 0.00 C ATOM 942 O ASN A 60 7.310 7.839 -9.240 1.00 0.00 O ATOM 943 CB ASN A 60 4.497 7.440 -9.214 1.00 0.00 C ATOM 944 CG ASN A 60 3.102 6.864 -8.925 1.00 0.00 C ATOM 945 OD1 ASN A 60 2.929 5.997 -8.091 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.074 7.316 -9.590 1.00 0.00 N ATOM 0 H ASN A 60 5.658 5.921 -7.441 1.00 0.00 H new ATOM 0 HA ASN A 60 5.131 5.743 -10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.848 8.008 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.444 8.134 -10.053 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.143 6.942 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.201 8.044 -10.293 1.00 0.00 H new ATOM 953 N GLU A 61 7.525 6.309 -10.848 1.00 0.00 N ATOM 954 CA GLU A 61 8.897 6.757 -11.260 1.00 0.00 C ATOM 955 C GLU A 61 8.940 8.261 -11.587 1.00 0.00 C ATOM 956 O GLU A 61 9.893 8.936 -11.256 1.00 0.00 O ATOM 957 CB GLU A 61 9.347 5.958 -12.502 1.00 0.00 C ATOM 958 CG GLU A 61 9.412 4.449 -12.171 1.00 0.00 C ATOM 959 CD GLU A 61 9.731 3.607 -13.428 1.00 0.00 C ATOM 960 OE1 GLU A 61 10.675 3.959 -14.120 1.00 0.00 O ATOM 961 OE2 GLU A 61 9.010 2.644 -13.630 1.00 0.00 O ATOM 0 H GLU A 61 7.156 5.527 -11.390 1.00 0.00 H new ATOM 0 HA GLU A 61 9.569 6.575 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.652 6.128 -13.324 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.325 6.307 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.174 4.274 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.461 4.127 -11.748 1.00 0.00 H new ATOM 968 N THR A 62 7.894 8.726 -12.231 1.00 0.00 N ATOM 969 CA THR A 62 7.761 10.176 -12.598 1.00 0.00 C ATOM 970 C THR A 62 7.968 11.102 -11.387 1.00 0.00 C ATOM 971 O THR A 62 8.623 12.120 -11.490 1.00 0.00 O ATOM 972 CB THR A 62 6.350 10.396 -13.200 1.00 0.00 C ATOM 973 OG1 THR A 62 6.320 9.551 -14.345 1.00 0.00 O ATOM 974 CG2 THR A 62 6.165 11.826 -13.770 1.00 0.00 C ATOM 0 H THR A 62 7.107 8.147 -12.525 1.00 0.00 H new ATOM 0 HA THR A 62 8.536 10.426 -13.323 1.00 0.00 H new ATOM 0 HB THR A 62 5.597 10.213 -12.434 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.449 9.631 -14.788 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.160 11.927 -14.179 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.308 12.556 -12.974 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.897 12.001 -14.558 1.00 0.00 H new ATOM 982 N THR A 63 7.398 10.701 -10.281 1.00 0.00 N ATOM 983 CA THR A 63 7.472 11.503 -9.016 1.00 0.00 C ATOM 984 C THR A 63 8.452 10.859 -8.026 1.00 0.00 C ATOM 985 O THR A 63 8.642 11.365 -6.936 1.00 0.00 O ATOM 986 CB THR A 63 6.064 11.582 -8.389 1.00 0.00 C ATOM 987 OG1 THR A 63 5.491 10.288 -8.526 1.00 0.00 O ATOM 988 CG2 THR A 63 5.145 12.517 -9.204 1.00 0.00 C ATOM 0 H THR A 63 6.871 9.832 -10.197 1.00 0.00 H new ATOM 0 HA THR A 63 7.831 12.506 -9.247 1.00 0.00 H new ATOM 0 HB THR A 63 6.150 11.936 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.591 10.286 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.160 12.554 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.573 13.519 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.052 12.139 -10.222 1.00 0.00 H new ATOM 996 N GLY A 64 9.042 9.765 -8.443 1.00 0.00 N ATOM 997 CA GLY A 64 9.898 8.939 -7.537 1.00 0.00 C ATOM 998 C GLY A 64 9.190 8.573 -6.226 1.00 0.00 C ATOM 999 O GLY A 64 9.842 8.305 -5.235 1.00 0.00 O ATOM 0 H GLY A 64 8.964 9.403 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.192 8.025 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.814 9.485 -7.311 1.00 0.00 H new ATOM 1003 N GLU A 65 7.881 8.577 -6.261 1.00 0.00 N ATOM 1004 CA GLU A 65 7.080 8.351 -5.018 1.00 0.00 C ATOM 1005 C GLU A 65 6.756 6.859 -4.879 1.00 0.00 C ATOM 1006 O GLU A 65 6.922 6.101 -5.816 1.00 0.00 O ATOM 1007 CB GLU A 65 5.775 9.192 -5.107 1.00 0.00 C ATOM 1008 CG GLU A 65 5.513 9.910 -3.752 1.00 0.00 C ATOM 1009 CD GLU A 65 6.451 11.128 -3.526 1.00 0.00 C ATOM 1010 OE1 GLU A 65 7.382 11.328 -4.295 1.00 0.00 O ATOM 1011 OE2 GLU A 65 6.168 11.812 -2.556 1.00 0.00 O ATOM 0 H GLU A 65 7.328 8.728 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 65 7.647 8.661 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.860 9.927 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.932 8.546 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.476 10.244 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.646 9.198 -2.937 1.00 0.00 H new ATOM 1018 N ARG A 66 6.304 6.487 -3.707 1.00 0.00 N ATOM 1019 CA ARG A 66 5.974 5.055 -3.418 1.00 0.00 C ATOM 1020 C ARG A 66 4.814 5.029 -2.419 1.00 0.00 C ATOM 1021 O ARG A 66 4.895 5.634 -1.365 1.00 0.00 O ATOM 1022 CB ARG A 66 7.228 4.381 -2.828 1.00 0.00 C ATOM 1023 CG ARG A 66 6.992 2.872 -2.579 1.00 0.00 C ATOM 1024 CD ARG A 66 8.350 2.168 -2.366 1.00 0.00 C ATOM 1025 NE ARG A 66 9.152 2.282 -3.626 1.00 0.00 N ATOM 1026 CZ ARG A 66 9.307 1.257 -4.424 1.00 0.00 C ATOM 1027 NH1 ARG A 66 8.321 0.416 -4.592 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.448 1.106 -5.036 1.00 0.00 N ATOM 0 H ARG A 66 6.147 7.124 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 66 5.678 4.518 -4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.068 4.512 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.498 4.868 -1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.356 2.732 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.470 2.430 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.886 2.625 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.196 1.120 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 66 9.585 3.174 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.438 0.561 -4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.434 -0.385 -5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.199 1.780 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.590 0.314 -5.663 1.00 0.00 H new ATOM 1042 N GLY A 67 3.766 4.331 -2.775 1.00 0.00 N ATOM 1043 CA GLY A 67 2.665 4.087 -1.796 1.00 0.00 C ATOM 1044 C GLY A 67 1.616 3.141 -2.373 1.00 0.00 C ATOM 1045 O GLY A 67 1.865 2.448 -3.344 1.00 0.00 O ATOM 0 H GLY A 67 3.625 3.921 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.076 3.663 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.197 5.034 -1.527 1.00 0.00 H new ATOM 1049 N ASP A 68 0.468 3.150 -1.745 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.641 2.239 -2.160 1.00 0.00 C ATOM 1051 C ASP A 68 -1.713 3.052 -2.885 1.00 0.00 C ATOM 1052 O ASP A 68 -1.858 4.238 -2.659 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.232 1.564 -0.899 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.899 0.060 -0.929 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.544 -0.621 -1.710 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.022 -0.321 -0.171 1.00 0.00 O ATOM 0 H ASP A 68 0.250 3.756 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.269 1.469 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.821 2.022 0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.312 1.709 -0.866 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.432 2.372 -3.739 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.520 3.022 -4.528 1.00 0.00 C ATOM 1063 C PHE A 69 -4.599 1.963 -4.847 1.00 0.00 C ATOM 1064 O PHE A 69 -4.268 0.803 -5.007 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.918 3.607 -5.835 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.281 2.501 -6.700 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -1.019 2.012 -6.413 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.972 1.983 -7.778 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.460 1.018 -7.191 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.416 0.991 -8.556 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.160 0.508 -8.266 1.00 0.00 C ATOM 0 H PHE A 69 -2.309 1.377 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.976 3.834 -3.961 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.699 4.112 -6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.167 4.357 -5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.467 2.411 -5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.957 2.359 -8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.524 0.640 -6.959 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.967 0.592 -9.395 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.723 -0.268 -8.878 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.849 2.368 -4.930 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.960 1.455 -5.312 1.00 0.00 C ATOM 1083 C PRO A 70 -6.808 0.933 -6.751 1.00 0.00 C ATOM 1084 O PRO A 70 -6.163 1.556 -7.570 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.250 2.259 -5.136 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.837 3.715 -4.771 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.303 3.759 -4.655 1.00 0.00 C ATOM 0 HA PRO A 70 -6.963 0.564 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.841 2.245 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.869 1.826 -4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.182 4.412 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.299 4.018 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.874 4.461 -5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.993 4.085 -3.662 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.420 -0.198 -7.001 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.402 -0.807 -8.366 1.00 0.00 C ATOM 1097 C GLY A 71 -8.688 -0.466 -9.126 1.00 0.00 C ATOM 1098 O GLY A 71 -9.275 -1.321 -9.760 1.00 0.00 O ATOM 0 H GLY A 71 -7.939 -0.733 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.538 -0.443 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.297 -1.889 -8.286 1.00 0.00 H new ATOM 1102 N THR A 72 -9.089 0.779 -9.039 1.00 0.00 N ATOM 1103 CA THR A 72 -10.304 1.247 -9.784 1.00 0.00 C ATOM 1104 C THR A 72 -10.052 2.586 -10.493 1.00 0.00 C ATOM 1105 O THR A 72 -10.793 2.963 -11.380 1.00 0.00 O ATOM 1106 CB THR A 72 -11.469 1.365 -8.766 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.642 1.551 -9.553 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.366 2.636 -7.878 1.00 0.00 C ATOM 0 H THR A 72 -8.626 1.496 -8.481 1.00 0.00 H new ATOM 0 HA THR A 72 -10.556 0.529 -10.564 1.00 0.00 H new ATOM 0 HB THR A 72 -11.463 0.485 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.429 2.106 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.207 2.665 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.433 2.612 -7.315 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.385 3.524 -8.510 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.014 3.256 -10.068 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.638 4.580 -10.660 1.00 0.00 C ATOM 1118 C TYR A 73 -7.480 4.444 -11.663 1.00 0.00 C ATOM 1119 O TYR A 73 -7.037 5.426 -12.226 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.241 5.535 -9.513 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.433 6.437 -9.165 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.721 7.544 -9.939 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.235 6.153 -8.078 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.793 8.354 -9.631 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.307 6.961 -7.767 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.595 8.068 -8.541 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.669 8.874 -8.226 1.00 0.00 O ATOM 0 H TYR A 73 -8.397 2.937 -9.321 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.493 4.978 -11.207 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.936 4.962 -8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.386 6.142 -9.810 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.101 7.777 -10.792 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.020 5.290 -7.466 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.008 9.217 -10.244 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.926 6.727 -6.913 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.120 8.522 -7.431 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.029 3.233 -11.852 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.891 2.937 -12.787 1.00 0.00 C ATOM 1139 C VAL A 74 -6.370 1.975 -13.888 1.00 0.00 C ATOM 1140 O VAL A 74 -7.523 1.585 -13.919 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.727 2.296 -11.975 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -3.960 3.401 -11.189 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.279 1.199 -11.004 1.00 0.00 C ATOM 0 H VAL A 74 -7.410 2.410 -11.386 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.539 3.856 -13.256 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.033 1.816 -12.664 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.147 2.947 -10.623 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.552 4.129 -11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.644 3.901 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.453 0.760 -10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.989 1.650 -10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.780 0.421 -11.581 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.456 1.623 -14.759 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.772 0.707 -15.896 1.00 0.00 C ATOM 1155 C GLU A 75 -4.524 -0.108 -16.243 1.00 0.00 C ATOM 1156 O GLU A 75 -3.579 0.398 -16.820 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.212 1.546 -17.099 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.694 0.635 -18.253 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.101 1.080 -18.692 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.155 2.018 -19.470 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -9.044 0.462 -18.223 1.00 0.00 O ATOM 0 H GLU A 75 -4.487 1.939 -14.728 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.576 0.024 -15.623 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.014 2.222 -16.803 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.382 2.165 -17.440 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.002 0.694 -19.093 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.713 -0.405 -17.928 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.577 -1.359 -15.871 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.567 -2.364 -16.323 1.00 0.00 C ATOM 1170 C TYR A 76 -3.266 -2.210 -17.822 1.00 0.00 C ATOM 1171 O TYR A 76 -4.180 -2.181 -18.624 1.00 0.00 O ATOM 1172 CB TYR A 76 -4.136 -3.755 -16.024 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.117 -4.833 -16.381 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -2.114 -5.159 -15.495 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.201 -5.505 -17.588 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -1.211 -6.144 -15.799 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.294 -6.492 -17.893 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.298 -6.816 -16.997 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.403 -7.821 -17.282 1.00 0.00 O ATOM 0 H TYR A 76 -5.297 -1.737 -15.256 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.626 -2.214 -15.794 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.399 -3.829 -14.969 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.053 -3.910 -16.592 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.039 -4.635 -14.554 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.981 -5.253 -18.292 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.429 -6.394 -15.097 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.362 -7.014 -18.836 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.582 -8.592 -16.704 1.00 0.00 H new ATOM 1189 N ILE A 77 -2.000 -2.115 -18.149 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.588 -1.893 -19.572 1.00 0.00 C ATOM 1191 C ILE A 77 -0.582 -2.951 -20.036 1.00 0.00 C ATOM 1192 O ILE A 77 -0.846 -3.649 -20.997 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.967 -0.459 -19.719 1.00 0.00 C ATOM 1194 CG1 ILE A 77 -0.080 -0.067 -18.492 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -2.105 0.583 -19.873 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.073 0.857 -18.930 1.00 0.00 C ATOM 0 H ILE A 77 -1.228 -2.182 -17.486 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.473 -1.978 -20.202 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.329 -0.469 -20.603 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.690 0.435 -17.741 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.324 -0.966 -18.026 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.675 1.579 -19.975 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.694 0.350 -20.760 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.747 0.554 -18.993 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.679 1.119 -18.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.693 0.342 -19.664 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.664 1.764 -19.374 1.00 0.00 H new ATOM 1208 N GLY A 78 0.531 -3.050 -19.355 1.00 0.00 N ATOM 1209 CA GLY A 78 1.715 -3.761 -19.928 1.00 0.00 C ATOM 1210 C GLY A 78 2.214 -4.789 -18.916 1.00 0.00 C ATOM 1211 O GLY A 78 1.974 -4.659 -17.732 1.00 0.00 O ATOM 0 H GLY A 78 0.672 -2.666 -18.420 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.443 -4.253 -20.862 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.506 -3.048 -20.162 1.00 0.00 H new ATOM 1215 N ARG A 79 2.895 -5.785 -19.421 1.00 0.00 N ATOM 1216 CA ARG A 79 3.459 -6.848 -18.530 1.00 0.00 C ATOM 1217 C ARG A 79 4.723 -7.474 -19.111 1.00 0.00 C ATOM 1218 O ARG A 79 4.941 -7.490 -20.308 1.00 0.00 O ATOM 1219 CB ARG A 79 2.424 -7.984 -18.298 1.00 0.00 C ATOM 1220 CG ARG A 79 1.393 -8.118 -19.456 1.00 0.00 C ATOM 1221 CD ARG A 79 2.049 -8.565 -20.775 1.00 0.00 C ATOM 1222 NE ARG A 79 0.977 -9.109 -21.663 1.00 0.00 N ATOM 1223 CZ ARG A 79 0.231 -8.297 -22.364 1.00 0.00 C ATOM 1224 NH1 ARG A 79 0.612 -7.962 -23.564 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -0.876 -7.845 -21.843 1.00 0.00 N ATOM 0 H ARG A 79 3.086 -5.910 -20.415 1.00 0.00 H new ATOM 0 HA ARG A 79 3.703 -6.357 -17.588 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.953 -8.930 -18.179 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.891 -7.797 -17.366 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.624 -8.837 -19.173 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.894 -7.161 -19.607 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.551 -7.725 -21.255 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.808 -9.324 -20.585 1.00 0.00 H new ATOM 0 HE ARG A 79 0.827 -10.116 -21.722 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.483 -8.333 -23.945 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.040 -7.329 -24.123 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.148 -8.126 -20.901 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.469 -7.210 -22.377 1.00 0.00 H new ATOM 1239 N LYS A 80 5.511 -7.976 -18.199 1.00 0.00 N ATOM 1240 CA LYS A 80 6.563 -8.990 -18.530 1.00 0.00 C ATOM 1241 C LYS A 80 5.981 -10.305 -19.081 1.00 0.00 C ATOM 1242 O LYS A 80 4.780 -10.480 -19.164 1.00 0.00 O ATOM 1243 CB LYS A 80 7.377 -9.272 -17.252 1.00 0.00 C ATOM 1244 CG LYS A 80 8.058 -7.962 -16.772 1.00 0.00 C ATOM 1245 CD LYS A 80 9.594 -8.086 -16.837 1.00 0.00 C ATOM 1246 CE LYS A 80 10.074 -8.075 -18.309 1.00 0.00 C ATOM 1247 NZ LYS A 80 11.389 -8.771 -18.416 1.00 0.00 N ATOM 0 H LYS A 80 5.471 -7.721 -17.212 1.00 0.00 H new ATOM 0 HA LYS A 80 7.192 -8.579 -19.320 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.724 -9.662 -16.471 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.130 -10.035 -17.449 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.730 -7.128 -17.392 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.750 -7.740 -15.750 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.055 -7.263 -16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.912 -9.008 -16.351 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.338 -8.568 -18.945 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.165 -7.048 -18.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.707 -8.761 -19.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.089 -8.283 -17.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.288 -9.755 -18.095 1.00 0.00 H new ATOM 1261 N LYS A 81 6.883 -11.189 -19.434 1.00 0.00 N ATOM 1262 CA LYS A 81 6.510 -12.478 -20.096 1.00 0.00 C ATOM 1263 C LYS A 81 6.056 -13.534 -19.063 1.00 0.00 C ATOM 1264 O LYS A 81 6.199 -14.721 -19.283 1.00 0.00 O ATOM 1265 CB LYS A 81 7.743 -12.994 -20.887 1.00 0.00 C ATOM 1266 CG LYS A 81 8.152 -11.971 -21.983 1.00 0.00 C ATOM 1267 CD LYS A 81 8.791 -12.708 -23.189 1.00 0.00 C ATOM 1268 CE LYS A 81 9.483 -11.692 -24.125 1.00 0.00 C ATOM 1269 NZ LYS A 81 10.663 -11.077 -23.449 1.00 0.00 N ATOM 0 H LYS A 81 7.885 -11.067 -19.287 1.00 0.00 H new ATOM 0 HA LYS A 81 5.671 -12.305 -20.770 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.577 -13.159 -20.205 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.512 -13.955 -21.346 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.277 -11.410 -22.312 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.858 -11.249 -21.572 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.516 -13.441 -22.835 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.025 -13.257 -23.737 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.800 -12.190 -25.041 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.776 -10.914 -24.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.310 -10.688 -24.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.343 -10.313 -22.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.159 -11.801 -22.891 1.00 0.00 H new ATOM 1283 N ILE A 82 5.518 -13.070 -17.963 1.00 0.00 N ATOM 1284 CA ILE A 82 5.091 -13.977 -16.850 1.00 0.00 C ATOM 1285 C ILE A 82 3.621 -14.403 -17.026 1.00 0.00 C ATOM 1286 O ILE A 82 3.120 -15.215 -16.272 1.00 0.00 O ATOM 1287 CB ILE A 82 5.308 -13.211 -15.512 1.00 0.00 C ATOM 1288 CG1 ILE A 82 5.026 -14.145 -14.292 1.00 0.00 C ATOM 1289 CG2 ILE A 82 4.399 -11.945 -15.449 1.00 0.00 C ATOM 1290 CD1 ILE A 82 5.835 -13.687 -13.062 1.00 0.00 C ATOM 0 H ILE A 82 5.353 -12.079 -17.785 1.00 0.00 H new ATOM 0 HA ILE A 82 5.682 -14.893 -16.852 1.00 0.00 H new ATOM 0 HB ILE A 82 6.349 -12.890 -15.468 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.961 -14.136 -14.058 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.288 -15.172 -14.545 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.566 -11.424 -14.506 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.642 -11.281 -16.279 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.353 -12.244 -15.518 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.626 -14.349 -12.222 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.900 -13.720 -13.294 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.552 -12.668 -12.800 1.00 0.00 H new ATOM 1302 N SER A 83 2.982 -13.836 -18.021 1.00 0.00 N ATOM 1303 CA SER A 83 1.540 -14.124 -18.291 1.00 0.00 C ATOM 1304 C SER A 83 1.312 -14.279 -19.817 1.00 0.00 C ATOM 1305 O SER A 83 0.729 -13.413 -20.443 1.00 0.00 O ATOM 1306 CB SER A 83 0.717 -12.949 -17.705 1.00 0.00 C ATOM 1307 OG SER A 83 -0.642 -13.359 -17.816 1.00 0.00 O ATOM 0 H SER A 83 3.408 -13.173 -18.669 1.00 0.00 H new ATOM 0 HA SER A 83 1.226 -15.058 -17.824 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.988 -12.757 -16.667 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.897 -12.027 -18.257 1.00 0.00 H new ATOM 0 HG SER A 83 -1.226 -12.657 -17.459 1.00 0.00 H new ATOM 1313 N PRO A 84 1.772 -15.377 -20.382 1.00 0.00 N ATOM 1314 CA PRO A 84 1.458 -15.740 -21.792 1.00 0.00 C ATOM 1315 C PRO A 84 -0.045 -16.012 -22.003 1.00 0.00 C ATOM 1316 O PRO A 84 -0.647 -16.522 -21.072 1.00 0.00 O ATOM 1317 CB PRO A 84 2.310 -16.969 -22.112 1.00 0.00 C ATOM 1318 CG PRO A 84 3.014 -17.399 -20.790 1.00 0.00 C ATOM 1319 CD PRO A 84 2.646 -16.372 -19.702 1.00 0.00 C ATOM 1320 OXT PRO A 84 -0.501 -15.692 -23.089 1.00 0.00 O ATOM 0 HA PRO A 84 1.690 -14.915 -22.465 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.689 -17.778 -22.498 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.046 -16.737 -22.882 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.694 -18.398 -20.495 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.094 -17.438 -20.928 1.00 0.00 H new ATOM 0 HD2 PRO A 84 2.127 -16.849 -18.871 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.537 -15.897 -19.291 1.00 0.00 H new TER 1328 PRO A 84 END