USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) HEADER COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE) 10-OCT-94 1PRM TITLE TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: TITLE 2 DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: C-SRC TYROSINE KINASE SH3 DOMAIN; COMPND 3 CHAIN: C; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: PROLINE-RICH LIGAND PLR1 (AFAPPLPRR); COMPND 7 CHAIN: A; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 GENE: SYNTHETIC OLIGO; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX-2T GENE: SYNTHETIC OLIGO; SOURCE 9 MOL_ID: 2 KEYWDS COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE) EXPDTA SOLUTION NMR AUTHOR S.FENG,J.K.CHEN,H.YU,J.A.SIMON,S.L.SCHREIBER REVDAT 3 24-FEB-09 1PRM 1 VERSN REVDAT 2 01-APR-03 1PRM 1 JRNL REVDAT 1 07-FEB-95 1PRM 0 JRNL AUTH S.FENG,J.K.CHEN,H.YU,J.A.SIMON,S.L.SCHREIBER JRNL TITL TWO BINDING ORIENTATIONS FOR PEPTIDES TO THE SRC JRNL TITL 2 SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR JRNL TITL 3 SH3-LIGAND INTERACTIONS. JRNL REF SCIENCE V. 266 1241 1994 JRNL REFN ISSN 0036-8075 JRNL PMID 7526465 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.YU,J.K.CHEN,S.FENG,D.C.DALGARNO,A.W.BRAUER, REMARK 1 AUTH 2 S.L.SCHREIBER REMARK 1 TITL STRUCTURAL BASIS FOR THE BINDING OF PROLINE-RICH REMARK 1 TITL 2 PEPTIDES TO SH3 DOMAINS REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 76 933 1994 REMARK 1 REFN ISSN 0092-8674 REMARK 1 REFERENCE 2 REMARK 1 AUTH H.YU,M.K.ROSEN,T.B.SHIN,C.SEIDEL-DUGAN,J.S.BRUGGE, REMARK 1 AUTH 2 S.L.SCHREIBER REMARK 1 TITL SOLUTION STRUCTURE OF THE SH3 DOMAIN OF SRC AND REMARK 1 TITL 2 IDENTIFICATION OF ITS LIGAND-BINDING SITE REMARK 1 REF SCIENCE V. 258 1665 1992 REMARK 1 REFN ISSN 0036-8075 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 1PRM 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 GLY C 1 REMARK 465 ALA C 2 REMARK 465 LEU C 3 REMARK 465 ALA C 4 REMARK 465 GLY C 5 REMARK 465 GLY C 6 REMARK 465 VAL C 7 REMARK 465 THR C 8 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS C 46 CG HIS C 46 ND1 -0.102 REMARK 500 REMARK 500 REMARK: NULL 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 C 42 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP C 42 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP C 42 NE1 - CE2 - CZ2 ANGL. DEV. = 8.4 DEGREES REMARK 500 TRP C 42 NE1 - CE2 - CD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP C 43 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP C 43 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP C 43 NE1 - CE2 - CZ2 ANGL. DEV. = 8.9 DEGREES REMARK 500 TRP C 43 NE1 - CE2 - CD2 ANGL. DEV. = -6.5 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 C 17 76.75 -106.89 REMARK 500 VAL C 35 -82.87 -99.71 REMARK 500 ASN C 37 101.94 -163.69 REMARK 500 THR C 38 6.70 -150.11 REMARK 500 GLU C 39 -75.08 -167.23 REMARK 500 THR C 49 -70.81 -73.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PRL RELATED DB: PDB DBREF 1PRM C 1 64 UNP P00523 SRC_CHICK 76 139 DBREF 1PRM A 71 79 PDB 1PRM 1PRM 71 79 SEQRES 1 C 64 GLY ALA LEU ALA GLY GLY VAL THR THR PHE VAL ALA LEU SEQRES 2 C 64 TYR ASP TYR GLU SER ARG THR GLU THR ASP LEU SER PHE SEQRES 3 C 64 LYS LYS GLY GLU ARG LEU GLN ILE VAL ASN ASN THR GLU SEQRES 4 C 64 GLY ASP TRP TRP LEU ALA HIS SER LEU THR THR GLY GLN SEQRES 5 C 64 THR GLY TYR ILE PRO SER ASN TYR VAL ALA PRO SER SEQRES 1 A 9 ALA PHE ALA PRO PRO LEU PRO ARG ARG SHEET 1 A 2 PHE C 10 ALA C 12 0 SHEET 2 A 2 VAL C 61 PRO C 63 -1 N ALA C 62 O VAL C 11 SHEET 1 B 3 LEU C 32 ILE C 34 0 SHEET 2 B 3 TRP C 43 SER C 47 -1 N HIS C 46 O GLN C 33 SHEET 3 B 3 THR C 53 ILE C 56 -1 N ILE C 56 O TRP C 43 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: C 33 GLN : amide:sc= -0.591 K(o=-4.9,f=-7.3!) USER MOD Set 1.2: C 46 HIS :FLIP no HE2:sc= -4.27! C(o=-6.5!,f=-4.9!) USER MOD Set 2.1: C 20 THR OG1 : rot -127:sc= -0.572! USER MOD Set 2.2: C 22 THR OG1 : rot 180:sc= 0.254 USER MOD Set 3.1: C 18 SER OG : rot 177:sc= 1.03 USER MOD Set 3.2: C 25 SER OG : rot -66:sc= 0.449 USER MOD Single : C 9 THR OG1 : rot 20:sc= 0.873 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 75:sc= 0.143 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 36 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.6!) USER MOD Single : C 37 ASN :FLIP amide:sc= -4.35 F(o=-7.5!,f=-4.4) USER MOD Single : C 38 THR OG1 : rot -14:sc= 1.07 USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : C 52 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.13) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= 0 USER MOD Single : C 59 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.4!) USER MOD Single : C 60 TYR OH : rot 6:sc= 0.679 USER MOD Single : C 64 SER OG : rot -55:sc= 0.662! USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.465 29.044 -8.531 1.00 1.27 N ATOM 2 CA THR C 9 14.057 28.920 -7.169 1.00 0.75 C ATOM 3 C THR C 9 13.119 28.109 -6.274 1.00 0.62 C ATOM 4 O THR C 9 11.955 28.428 -6.127 1.00 0.77 O ATOM 5 CB THR C 9 14.254 30.313 -6.567 1.00 1.12 C ATOM 6 OG1 THR C 9 14.212 31.286 -7.606 1.00 1.40 O ATOM 7 CG2 THR C 9 15.605 30.373 -5.850 1.00 1.62 C ATOM 0 HA THR C 9 15.020 28.414 -7.240 1.00 0.75 H new ATOM 0 HB THR C 9 13.460 30.519 -5.849 1.00 1.12 H new ATOM 0 HG1 THR C 9 13.759 30.909 -8.389 1.00 1.40 H new ATOM 0 HG21 THR C 9 15.746 31.365 -5.421 1.00 1.62 H new ATOM 0 HG22 THR C 9 15.629 29.627 -5.055 1.00 1.62 H new ATOM 0 HG23 THR C 9 16.404 30.169 -6.562 1.00 1.62 H new ATOM 14 N PHE C 10 13.613 27.060 -5.676 1.00 0.47 N ATOM 15 CA PHE C 10 12.749 26.231 -4.790 1.00 0.38 C ATOM 16 C PHE C 10 13.217 26.384 -3.342 1.00 0.37 C ATOM 17 O PHE C 10 14.292 26.885 -3.078 1.00 0.49 O ATOM 18 CB PHE C 10 12.846 24.762 -5.208 1.00 0.39 C ATOM 19 CG PHE C 10 11.759 24.453 -6.240 1.00 0.40 C ATOM 20 CD1 PHE C 10 11.436 25.379 -7.214 1.00 1.18 C ATOM 21 CD2 PHE C 10 11.089 23.242 -6.214 1.00 1.07 C ATOM 22 CE1 PHE C 10 10.460 25.101 -8.148 1.00 1.25 C ATOM 23 CE2 PHE C 10 10.112 22.964 -7.149 1.00 1.05 C ATOM 24 CZ PHE C 10 9.798 23.894 -8.116 1.00 0.54 C ATOM 0 H PHE C 10 14.578 26.741 -5.763 1.00 0.47 H new ATOM 0 HA PHE C 10 11.714 26.562 -4.876 1.00 0.38 H new ATOM 0 HB2 PHE C 10 13.831 24.557 -5.628 1.00 0.39 H new ATOM 0 HB3 PHE C 10 12.730 24.117 -4.337 1.00 0.39 H new ATOM 0 HD1 PHE C 10 11.952 26.327 -7.244 1.00 1.18 H new ATOM 0 HD2 PHE C 10 11.332 22.510 -5.458 1.00 1.07 H new ATOM 0 HE1 PHE C 10 10.215 25.831 -8.905 1.00 1.25 H new ATOM 0 HE2 PHE C 10 9.593 22.017 -7.122 1.00 1.05 H new ATOM 0 HZ PHE C 10 9.034 23.677 -8.848 1.00 0.54 H new ATOM 34 N VAL C 11 12.422 25.953 -2.401 1.00 0.36 N ATOM 35 CA VAL C 11 12.827 26.077 -0.972 1.00 0.41 C ATOM 36 C VAL C 11 12.726 24.710 -0.293 1.00 0.38 C ATOM 37 O VAL C 11 11.865 23.912 -0.607 1.00 0.39 O ATOM 38 CB VAL C 11 11.906 27.073 -0.264 1.00 0.47 C ATOM 39 CG1 VAL C 11 12.500 27.436 1.098 1.00 0.58 C ATOM 40 CG2 VAL C 11 11.773 28.338 -1.114 1.00 0.63 C ATOM 0 H VAL C 11 11.512 25.521 -2.559 1.00 0.36 H new ATOM 0 HA VAL C 11 13.855 26.434 -0.915 1.00 0.41 H new ATOM 0 HB VAL C 11 10.923 26.623 -0.125 1.00 0.47 H new ATOM 0 HG11 VAL C 11 11.845 28.146 1.603 1.00 0.58 H new ATOM 0 HG12 VAL C 11 12.596 26.536 1.705 1.00 0.58 H new ATOM 0 HG13 VAL C 11 13.483 27.886 0.958 1.00 0.58 H new ATOM 0 HG21 VAL C 11 11.117 29.048 -0.610 1.00 0.63 H new ATOM 0 HG22 VAL C 11 12.756 28.788 -1.253 1.00 0.63 H new ATOM 0 HG23 VAL C 11 11.351 28.081 -2.086 1.00 0.63 H new ATOM 50 N ALA C 12 13.598 24.435 0.637 1.00 0.50 N ATOM 51 CA ALA C 12 13.553 23.119 1.335 1.00 0.48 C ATOM 52 C ALA C 12 12.456 23.127 2.404 1.00 0.47 C ATOM 53 O ALA C 12 12.571 23.777 3.424 1.00 0.65 O ATOM 54 CB ALA C 12 14.906 22.849 1.996 1.00 0.58 C ATOM 0 H ALA C 12 14.340 25.064 0.944 1.00 0.50 H new ATOM 0 HA ALA C 12 13.335 22.337 0.608 1.00 0.48 H new ATOM 0 HB1 ALA C 12 14.876 21.887 2.507 1.00 0.58 H new ATOM 0 HB2 ALA C 12 15.686 22.831 1.235 1.00 0.58 H new ATOM 0 HB3 ALA C 12 15.122 23.637 2.718 1.00 0.58 H new ATOM 60 N LEU C 13 11.391 22.407 2.174 1.00 0.43 N ATOM 61 CA LEU C 13 10.282 22.362 3.167 1.00 0.53 C ATOM 62 C LEU C 13 10.723 21.527 4.367 1.00 0.58 C ATOM 63 O LEU C 13 10.229 21.686 5.465 1.00 0.92 O ATOM 64 CB LEU C 13 9.055 21.706 2.532 1.00 0.59 C ATOM 65 CG LEU C 13 8.437 22.651 1.501 1.00 0.53 C ATOM 66 CD1 LEU C 13 7.075 22.104 1.073 1.00 0.67 C ATOM 67 CD2 LEU C 13 8.260 24.040 2.118 1.00 0.75 C ATOM 0 H LEU C 13 11.242 21.845 1.336 1.00 0.43 H new ATOM 0 HA LEU C 13 10.034 23.375 3.484 1.00 0.53 H new ATOM 0 HB2 LEU C 13 9.339 20.768 2.055 1.00 0.59 H new ATOM 0 HB3 LEU C 13 8.322 21.463 3.301 1.00 0.59 H new ATOM 0 HG LEU C 13 9.092 22.725 0.633 1.00 0.53 H new ATOM 0 HD11 LEU C 13 6.629 22.773 0.338 1.00 0.67 H new ATOM 0 HD12 LEU C 13 7.202 21.115 0.633 1.00 0.67 H new ATOM 0 HD13 LEU C 13 6.422 22.033 1.943 1.00 0.67 H new ATOM 0 HD21 LEU C 13 7.819 24.712 1.381 1.00 0.75 H new ATOM 0 HD22 LEU C 13 7.604 23.972 2.985 1.00 0.75 H new ATOM 0 HD23 LEU C 13 9.231 24.427 2.427 1.00 0.75 H new ATOM 79 N TYR C 14 11.655 20.637 4.163 1.00 0.45 N ATOM 80 CA TYR C 14 12.133 19.787 5.287 1.00 0.52 C ATOM 81 C TYR C 14 13.652 19.630 5.205 1.00 0.48 C ATOM 82 O TYR C 14 14.241 19.757 4.150 1.00 0.55 O ATOM 83 CB TYR C 14 11.467 18.422 5.182 1.00 0.61 C ATOM 84 CG TYR C 14 9.956 18.625 5.134 1.00 0.55 C ATOM 85 CD1 TYR C 14 9.342 19.042 3.973 1.00 1.17 C ATOM 86 CD2 TYR C 14 9.191 18.411 6.256 1.00 1.31 C ATOM 87 CE1 TYR C 14 7.979 19.240 3.934 1.00 1.23 C ATOM 88 CE2 TYR C 14 7.825 18.606 6.221 1.00 1.35 C ATOM 89 CZ TYR C 14 7.208 19.023 5.058 1.00 0.73 C ATOM 90 OH TYR C 14 5.843 19.219 5.021 1.00 0.91 O ATOM 0 H TYR C 14 12.106 20.462 3.265 1.00 0.45 H new ATOM 0 HA TYR C 14 11.878 20.251 6.240 1.00 0.52 H new ATOM 0 HB2 TYR C 14 11.808 17.902 4.287 1.00 0.61 H new ATOM 0 HB3 TYR C 14 11.739 17.801 6.035 1.00 0.61 H new ATOM 0 HD1 TYR C 14 9.934 19.215 3.086 1.00 1.17 H new ATOM 0 HD2 TYR C 14 9.663 18.088 7.172 1.00 1.31 H new ATOM 0 HE1 TYR C 14 7.511 19.567 3.018 1.00 1.23 H new ATOM 0 HE2 TYR C 14 7.235 18.431 7.109 1.00 1.35 H new ATOM 0 HH TYR C 14 5.460 19.018 5.900 1.00 0.91 H new ATOM 100 N ASP C 15 14.292 19.355 6.308 1.00 0.47 N ATOM 101 CA ASP C 15 15.771 19.191 6.288 1.00 0.50 C ATOM 102 C ASP C 15 16.125 17.840 5.662 1.00 0.49 C ATOM 103 O ASP C 15 16.134 16.820 6.322 1.00 0.88 O ATOM 104 CB ASP C 15 16.314 19.251 7.718 1.00 0.62 C ATOM 105 CG ASP C 15 15.376 18.494 8.661 1.00 1.26 C ATOM 106 OD1 ASP C 15 15.021 17.372 8.338 1.00 2.02 O ATOM 107 OD2 ASP C 15 15.028 19.049 9.691 1.00 1.94 O ATOM 0 H ASP C 15 13.854 19.237 7.222 1.00 0.47 H new ATOM 0 HA ASP C 15 16.217 19.993 5.699 1.00 0.50 H new ATOM 0 HB2 ASP C 15 17.312 18.815 7.756 1.00 0.62 H new ATOM 0 HB3 ASP C 15 16.407 20.289 8.038 1.00 0.62 H new ATOM 112 N TYR C 16 16.416 17.827 4.390 1.00 0.48 N ATOM 113 CA TYR C 16 16.769 16.547 3.714 1.00 0.42 C ATOM 114 C TYR C 16 18.125 16.056 4.227 1.00 0.44 C ATOM 115 O TYR C 16 19.135 16.713 4.066 1.00 0.45 O ATOM 116 CB TYR C 16 16.843 16.780 2.205 1.00 0.41 C ATOM 117 CG TYR C 16 17.388 15.530 1.513 1.00 0.38 C ATOM 118 CD1 TYR C 16 17.078 14.272 1.988 1.00 1.23 C ATOM 119 CD2 TYR C 16 18.194 15.643 0.399 1.00 1.09 C ATOM 120 CE1 TYR C 16 17.567 13.145 1.358 1.00 1.25 C ATOM 121 CE2 TYR C 16 18.682 14.517 -0.231 1.00 1.09 C ATOM 122 CZ TYR C 16 18.373 13.259 0.243 1.00 0.44 C ATOM 123 OH TYR C 16 18.862 12.133 -0.386 1.00 0.50 O ATOM 0 H TYR C 16 16.424 18.650 3.788 1.00 0.48 H new ATOM 0 HA TYR C 16 16.010 15.795 3.930 1.00 0.42 H new ATOM 0 HB2 TYR C 16 15.853 17.020 1.816 1.00 0.41 H new ATOM 0 HB3 TYR C 16 17.485 17.634 1.991 1.00 0.41 H new ATOM 0 HD1 TYR C 16 16.448 14.168 2.859 1.00 1.23 H new ATOM 0 HD2 TYR C 16 18.445 16.621 0.017 1.00 1.09 H new ATOM 0 HE1 TYR C 16 17.317 12.166 1.741 1.00 1.25 H new ATOM 0 HE2 TYR C 16 19.311 14.621 -1.103 1.00 1.09 H new ATOM 0 HH TYR C 16 18.144 11.707 -0.899 1.00 0.50 H new ATOM 133 N GLU C 17 18.155 14.905 4.842 1.00 0.57 N ATOM 134 CA GLU C 17 19.445 14.372 5.365 1.00 0.64 C ATOM 135 C GLU C 17 19.916 13.211 4.485 1.00 0.69 C ATOM 136 O GLU C 17 19.798 12.058 4.849 1.00 0.85 O ATOM 137 CB GLU C 17 19.244 13.876 6.798 1.00 0.80 C ATOM 138 CG GLU C 17 20.567 13.965 7.561 1.00 1.57 C ATOM 139 CD GLU C 17 20.292 13.902 9.065 1.00 2.00 C ATOM 140 OE1 GLU C 17 19.726 14.850 9.584 1.00 2.32 O ATOM 141 OE2 GLU C 17 20.651 12.907 9.672 1.00 2.65 O ATOM 0 H GLU C 17 17.342 14.311 5.005 1.00 0.57 H new ATOM 0 HA GLU C 17 20.196 15.162 5.353 1.00 0.64 H new ATOM 0 HB2 GLU C 17 18.483 14.475 7.298 1.00 0.80 H new ATOM 0 HB3 GLU C 17 18.885 12.847 6.791 1.00 0.80 H new ATOM 0 HG2 GLU C 17 21.225 13.148 7.266 1.00 1.57 H new ATOM 0 HG3 GLU C 17 21.081 14.894 7.313 1.00 1.57 H new ATOM 148 N SER C 18 20.451 13.505 3.332 1.00 0.67 N ATOM 149 CA SER C 18 20.929 12.418 2.433 1.00 0.79 C ATOM 150 C SER C 18 21.852 11.480 3.214 1.00 0.87 C ATOM 151 O SER C 18 22.320 11.805 4.286 1.00 0.91 O ATOM 152 CB SER C 18 21.697 13.029 1.260 1.00 0.85 C ATOM 153 OG SER C 18 23.064 13.176 1.615 1.00 1.64 O ATOM 0 H SER C 18 20.578 14.452 2.974 1.00 0.67 H new ATOM 0 HA SER C 18 20.075 11.856 2.055 1.00 0.79 H new ATOM 0 HB2 SER C 18 21.605 12.392 0.380 1.00 0.85 H new ATOM 0 HB3 SER C 18 21.272 13.998 0.998 1.00 0.85 H new ATOM 0 HG SER C 18 23.567 13.518 0.846 1.00 1.64 H new ATOM 159 N ARG C 19 22.116 10.316 2.684 1.00 1.10 N ATOM 160 CA ARG C 19 23.009 9.359 3.399 1.00 1.28 C ATOM 161 C ARG C 19 24.138 8.903 2.468 1.00 1.36 C ATOM 162 O ARG C 19 25.114 8.323 2.903 1.00 1.55 O ATOM 163 CB ARG C 19 22.196 8.143 3.845 1.00 1.53 C ATOM 164 CG ARG C 19 21.277 8.541 5.000 1.00 1.73 C ATOM 165 CD ARG C 19 19.928 7.833 4.847 1.00 2.17 C ATOM 166 NE ARG C 19 19.763 6.837 5.945 1.00 2.77 N ATOM 167 CZ ARG C 19 18.875 5.885 5.839 1.00 3.29 C ATOM 168 NH1 ARG C 19 18.130 5.798 4.770 1.00 3.48 N ATOM 169 NH2 ARG C 19 18.733 5.017 6.802 1.00 4.07 N ATOM 0 H ARG C 19 21.753 9.987 1.789 1.00 1.10 H new ATOM 0 HA ARG C 19 23.440 9.853 4.270 1.00 1.28 H new ATOM 0 HB2 ARG C 19 21.606 7.761 3.012 1.00 1.53 H new ATOM 0 HB3 ARG C 19 22.864 7.340 4.157 1.00 1.53 H new ATOM 0 HG2 ARG C 19 21.735 8.272 5.952 1.00 1.73 H new ATOM 0 HG3 ARG C 19 21.134 9.621 5.009 1.00 1.73 H new ATOM 0 HD2 ARG C 19 19.117 8.561 4.877 1.00 2.17 H new ATOM 0 HD3 ARG C 19 19.874 7.335 3.879 1.00 2.17 H new ATOM 0 HE ARG C 19 20.345 6.899 6.780 1.00 2.77 H new ATOM 0 HH11 ARG C 19 18.241 6.475 4.015 1.00 3.48 H new ATOM 0 HH12 ARG C 19 17.437 5.053 4.690 1.00 3.48 H new ATOM 0 HH21 ARG C 19 19.315 5.082 7.637 1.00 4.07 H new ATOM 0 HH22 ARG C 19 18.040 4.273 6.720 1.00 4.07 H new ATOM 183 N THR C 20 24.019 9.158 1.191 1.00 1.35 N ATOM 184 CA THR C 20 25.090 8.735 0.244 1.00 1.49 C ATOM 185 C THR C 20 25.824 9.968 -0.285 1.00 1.33 C ATOM 186 O THR C 20 25.441 11.091 -0.022 1.00 1.20 O ATOM 187 CB THR C 20 24.470 7.970 -0.930 1.00 1.65 C ATOM 188 OG1 THR C 20 25.271 8.155 -2.088 1.00 2.25 O ATOM 189 CG2 THR C 20 23.057 8.494 -1.197 1.00 1.92 C ATOM 0 H THR C 20 23.228 9.640 0.765 1.00 1.35 H new ATOM 0 HA THR C 20 25.794 8.088 0.766 1.00 1.49 H new ATOM 0 HB THR C 20 24.420 6.909 -0.686 1.00 1.65 H new ATOM 0 HG1 THR C 20 24.709 8.467 -2.828 1.00 2.25 H new ATOM 0 HG21 THR C 20 22.618 7.948 -2.032 1.00 1.92 H new ATOM 0 HG22 THR C 20 22.442 8.352 -0.308 1.00 1.92 H new ATOM 0 HG23 THR C 20 23.103 9.555 -1.441 1.00 1.92 H new ATOM 197 N GLU C 21 26.877 9.767 -1.028 1.00 1.48 N ATOM 198 CA GLU C 21 27.637 10.925 -1.575 1.00 1.55 C ATOM 199 C GLU C 21 27.066 11.307 -2.942 1.00 1.44 C ATOM 200 O GLU C 21 27.736 11.901 -3.762 1.00 1.99 O ATOM 201 CB GLU C 21 29.109 10.537 -1.728 1.00 1.88 C ATOM 202 CG GLU C 21 29.857 10.835 -0.427 1.00 2.49 C ATOM 203 CD GLU C 21 31.012 9.845 -0.266 1.00 3.07 C ATOM 204 OE1 GLU C 21 31.870 9.820 -1.133 1.00 3.71 O ATOM 205 OE2 GLU C 21 31.018 9.128 0.722 1.00 3.37 O ATOM 0 H GLU C 21 27.244 8.849 -1.280 1.00 1.48 H new ATOM 0 HA GLU C 21 27.552 11.773 -0.896 1.00 1.55 H new ATOM 0 HB2 GLU C 21 29.193 9.478 -1.973 1.00 1.88 H new ATOM 0 HB3 GLU C 21 29.558 11.091 -2.552 1.00 1.88 H new ATOM 0 HG2 GLU C 21 30.238 11.856 -0.440 1.00 2.49 H new ATOM 0 HG3 GLU C 21 29.177 10.759 0.422 1.00 2.49 H new ATOM 212 N THR C 22 25.830 10.969 -3.193 1.00 1.11 N ATOM 213 CA THR C 22 25.216 11.313 -4.506 1.00 1.10 C ATOM 214 C THR C 22 24.280 12.511 -4.335 1.00 0.91 C ATOM 215 O THR C 22 24.262 13.418 -5.142 1.00 1.20 O ATOM 216 CB THR C 22 24.416 10.114 -5.022 1.00 1.28 C ATOM 217 OG1 THR C 22 25.177 8.928 -4.843 1.00 1.78 O ATOM 218 CG2 THR C 22 24.104 10.307 -6.507 1.00 1.66 C ATOM 0 H THR C 22 25.220 10.470 -2.546 1.00 1.11 H new ATOM 0 HA THR C 22 26.001 11.564 -5.219 1.00 1.10 H new ATOM 0 HB THR C 22 23.482 10.033 -4.467 1.00 1.28 H new ATOM 0 HG1 THR C 22 24.666 8.159 -5.171 1.00 1.78 H new ATOM 0 HG21 THR C 22 23.534 9.453 -6.873 1.00 1.66 H new ATOM 0 HG22 THR C 22 23.519 11.217 -6.641 1.00 1.66 H new ATOM 0 HG23 THR C 22 25.036 10.389 -7.067 1.00 1.66 H new ATOM 226 N ASP C 23 23.505 12.521 -3.286 1.00 0.66 N ATOM 227 CA ASP C 23 22.569 13.660 -3.060 1.00 0.53 C ATOM 228 C ASP C 23 23.121 14.558 -1.951 1.00 0.56 C ATOM 229 O ASP C 23 23.718 14.092 -1.001 1.00 0.67 O ATOM 230 CB ASP C 23 21.192 13.127 -2.638 1.00 0.55 C ATOM 231 CG ASP C 23 21.030 11.672 -3.092 1.00 0.68 C ATOM 232 OD1 ASP C 23 21.627 10.808 -2.470 1.00 1.60 O ATOM 233 OD2 ASP C 23 20.312 11.448 -4.052 1.00 0.91 O ATOM 0 H ASP C 23 23.479 11.790 -2.575 1.00 0.66 H new ATOM 0 HA ASP C 23 22.469 14.230 -3.983 1.00 0.53 H new ATOM 0 HB2 ASP C 23 21.084 13.193 -1.555 1.00 0.55 H new ATOM 0 HB3 ASP C 23 20.405 13.742 -3.075 1.00 0.55 H new ATOM 238 N LEU C 24 22.926 15.843 -2.065 1.00 0.59 N ATOM 239 CA LEU C 24 23.438 16.772 -1.020 1.00 0.70 C ATOM 240 C LEU C 24 22.365 16.973 0.052 1.00 0.62 C ATOM 241 O LEU C 24 21.212 17.215 -0.248 1.00 0.90 O ATOM 242 CB LEU C 24 23.782 18.118 -1.661 1.00 0.87 C ATOM 243 CG LEU C 24 24.842 17.911 -2.745 1.00 0.89 C ATOM 244 CD1 LEU C 24 24.778 19.063 -3.749 1.00 1.63 C ATOM 245 CD2 LEU C 24 26.229 17.874 -2.100 1.00 1.14 C ATOM 0 H LEU C 24 22.433 16.290 -2.838 1.00 0.59 H new ATOM 0 HA LEU C 24 24.332 16.350 -0.562 1.00 0.70 H new ATOM 0 HB2 LEU C 24 22.887 18.566 -2.093 1.00 0.87 H new ATOM 0 HB3 LEU C 24 24.151 18.810 -0.904 1.00 0.87 H new ATOM 0 HG LEU C 24 24.655 16.969 -3.261 1.00 0.89 H new ATOM 0 HD11 LEU C 24 25.533 18.915 -4.521 1.00 1.63 H new ATOM 0 HD12 LEU C 24 23.790 19.091 -4.208 1.00 1.63 H new ATOM 0 HD13 LEU C 24 24.965 20.005 -3.234 1.00 1.63 H new ATOM 0 HD21 LEU C 24 26.985 17.727 -2.871 1.00 1.14 H new ATOM 0 HD22 LEU C 24 26.416 18.816 -1.584 1.00 1.14 H new ATOM 0 HD23 LEU C 24 26.276 17.053 -1.384 1.00 1.14 H new ATOM 257 N SER C 25 22.734 16.876 1.299 1.00 0.57 N ATOM 258 CA SER C 25 21.734 17.062 2.389 1.00 0.53 C ATOM 259 C SER C 25 21.518 18.556 2.637 1.00 0.52 C ATOM 260 O SER C 25 22.456 19.309 2.806 1.00 0.62 O ATOM 261 CB SER C 25 22.250 16.402 3.670 1.00 0.60 C ATOM 262 OG SER C 25 23.395 15.618 3.371 1.00 0.89 O ATOM 0 H SER C 25 23.684 16.676 1.611 1.00 0.57 H new ATOM 0 HA SER C 25 20.789 16.603 2.097 1.00 0.53 H new ATOM 0 HB2 SER C 25 22.500 17.164 4.409 1.00 0.60 H new ATOM 0 HB3 SER C 25 21.472 15.777 4.108 1.00 0.60 H new ATOM 0 HG SER C 25 23.136 14.866 2.799 1.00 0.89 H new ATOM 268 N PHE C 26 20.287 18.993 2.661 1.00 0.46 N ATOM 269 CA PHE C 26 20.014 20.439 2.899 1.00 0.48 C ATOM 270 C PHE C 26 19.038 20.585 4.068 1.00 0.50 C ATOM 271 O PHE C 26 18.242 19.709 4.337 1.00 0.63 O ATOM 272 CB PHE C 26 19.406 21.064 1.640 1.00 0.50 C ATOM 273 CG PHE C 26 18.159 20.283 1.225 1.00 0.45 C ATOM 274 CD1 PHE C 26 16.929 20.592 1.774 1.00 0.99 C ATOM 275 CD2 PHE C 26 18.242 19.269 0.288 1.00 1.06 C ATOM 276 CE1 PHE C 26 15.799 19.899 1.393 1.00 1.01 C ATOM 277 CE2 PHE C 26 17.112 18.576 -0.094 1.00 1.03 C ATOM 278 CZ PHE C 26 15.890 18.891 0.459 1.00 0.44 C ATOM 0 H PHE C 26 19.460 18.411 2.526 1.00 0.46 H new ATOM 0 HA PHE C 26 20.947 20.950 3.137 1.00 0.48 H new ATOM 0 HB2 PHE C 26 19.148 22.106 1.828 1.00 0.50 H new ATOM 0 HB3 PHE C 26 20.136 21.058 0.831 1.00 0.50 H new ATOM 0 HD1 PHE C 26 16.852 21.382 2.507 1.00 0.99 H new ATOM 0 HD2 PHE C 26 19.198 19.018 -0.148 1.00 1.06 H new ATOM 0 HE1 PHE C 26 14.842 20.147 1.828 1.00 1.01 H new ATOM 0 HE2 PHE C 26 17.185 17.786 -0.827 1.00 1.03 H new ATOM 0 HZ PHE C 26 15.005 18.348 0.161 1.00 0.44 H new ATOM 288 N LYS C 27 19.093 21.687 4.766 1.00 0.54 N ATOM 289 CA LYS C 27 18.167 21.887 5.917 1.00 0.56 C ATOM 290 C LYS C 27 17.019 22.809 5.498 1.00 0.53 C ATOM 291 O LYS C 27 16.981 23.304 4.389 1.00 0.60 O ATOM 292 CB LYS C 27 18.933 22.518 7.083 1.00 0.70 C ATOM 293 CG LYS C 27 20.204 21.709 7.357 1.00 1.16 C ATOM 294 CD LYS C 27 21.051 22.429 8.409 1.00 1.68 C ATOM 295 CE LYS C 27 21.328 21.481 9.577 1.00 1.98 C ATOM 296 NZ LYS C 27 22.671 21.776 10.150 1.00 2.62 N ATOM 0 H LYS C 27 19.739 22.457 4.589 1.00 0.54 H new ATOM 0 HA LYS C 27 17.761 20.925 6.228 1.00 0.56 H new ATOM 0 HB2 LYS C 27 19.190 23.550 6.847 1.00 0.70 H new ATOM 0 HB3 LYS C 27 18.305 22.542 7.974 1.00 0.70 H new ATOM 0 HG2 LYS C 27 19.944 20.710 7.706 1.00 1.16 H new ATOM 0 HG3 LYS C 27 20.775 21.586 6.437 1.00 1.16 H new ATOM 0 HD2 LYS C 27 21.990 22.764 7.968 1.00 1.68 H new ATOM 0 HD3 LYS C 27 20.530 23.318 8.764 1.00 1.68 H new ATOM 0 HE2 LYS C 27 20.561 21.597 10.343 1.00 1.98 H new ATOM 0 HE3 LYS C 27 21.285 20.446 9.237 1.00 1.98 H new ATOM 0 HZ1 LYS C 27 22.859 21.131 10.944 1.00 2.62 H new ATOM 0 HZ2 LYS C 27 23.397 21.644 9.418 1.00 2.62 H new ATOM 0 HZ3 LYS C 27 22.696 22.759 10.489 1.00 2.62 H new ATOM 310 N LYS C 28 16.082 23.042 6.377 1.00 0.59 N ATOM 311 CA LYS C 28 14.937 23.931 6.030 1.00 0.59 C ATOM 312 C LYS C 28 15.419 25.382 5.960 1.00 0.64 C ATOM 313 O LYS C 28 16.210 25.823 6.770 1.00 0.80 O ATOM 314 CB LYS C 28 13.851 23.803 7.101 1.00 0.63 C ATOM 315 CG LYS C 28 12.715 24.783 6.799 1.00 0.80 C ATOM 316 CD LYS C 28 11.552 24.526 7.761 1.00 1.07 C ATOM 317 CE LYS C 28 10.914 25.859 8.159 1.00 1.62 C ATOM 318 NZ LYS C 28 9.800 25.609 9.116 1.00 1.99 N ATOM 0 H LYS C 28 16.060 22.655 7.320 1.00 0.59 H new ATOM 0 HA LYS C 28 14.529 23.639 5.062 1.00 0.59 H new ATOM 0 HB2 LYS C 28 13.468 22.783 7.125 1.00 0.63 H new ATOM 0 HB3 LYS C 28 14.271 24.009 8.086 1.00 0.63 H new ATOM 0 HG2 LYS C 28 13.068 25.809 6.903 1.00 0.80 H new ATOM 0 HG3 LYS C 28 12.382 24.664 5.768 1.00 0.80 H new ATOM 0 HD2 LYS C 28 10.810 23.883 7.288 1.00 1.07 H new ATOM 0 HD3 LYS C 28 11.909 24.002 8.648 1.00 1.07 H new ATOM 0 HE2 LYS C 28 11.660 26.510 8.615 1.00 1.62 H new ATOM 0 HE3 LYS C 28 10.539 26.374 7.274 1.00 1.62 H new ATOM 0 HZ1 LYS C 28 9.366 26.514 9.387 1.00 1.99 H new ATOM 0 HZ2 LYS C 28 9.085 25.003 8.666 1.00 1.99 H new ATOM 0 HZ3 LYS C 28 10.171 25.135 9.964 1.00 1.99 H new ATOM 332 N GLY C 29 14.949 26.127 4.997 1.00 0.67 N ATOM 333 CA GLY C 29 15.379 27.548 4.876 1.00 0.79 C ATOM 334 C GLY C 29 16.385 27.683 3.731 1.00 0.71 C ATOM 335 O GLY C 29 16.498 28.722 3.111 1.00 0.73 O ATOM 0 H GLY C 29 14.286 25.813 4.289 1.00 0.67 H new ATOM 0 HA2 GLY C 29 14.515 28.186 4.691 1.00 0.79 H new ATOM 0 HA3 GLY C 29 15.829 27.883 5.810 1.00 0.79 H new ATOM 339 N GLU C 30 17.118 26.642 3.445 1.00 0.71 N ATOM 340 CA GLU C 30 18.114 26.716 2.340 1.00 0.70 C ATOM 341 C GLU C 30 17.389 26.631 0.995 1.00 0.55 C ATOM 342 O GLU C 30 16.433 25.898 0.839 1.00 0.63 O ATOM 343 CB GLU C 30 19.100 25.552 2.462 1.00 0.85 C ATOM 344 CG GLU C 30 20.117 25.622 1.321 1.00 0.80 C ATOM 345 CD GLU C 30 21.477 25.130 1.820 1.00 1.02 C ATOM 346 OE1 GLU C 30 21.501 24.424 2.815 1.00 1.75 O ATOM 347 OE2 GLU C 30 22.472 25.469 1.200 1.00 1.61 O ATOM 0 H GLU C 30 17.070 25.745 3.928 1.00 0.71 H new ATOM 0 HA GLU C 30 18.657 27.659 2.402 1.00 0.70 H new ATOM 0 HB2 GLU C 30 19.612 25.595 3.423 1.00 0.85 H new ATOM 0 HB3 GLU C 30 18.565 24.603 2.428 1.00 0.85 H new ATOM 0 HG2 GLU C 30 19.782 25.011 0.483 1.00 0.80 H new ATOM 0 HG3 GLU C 30 20.200 26.646 0.956 1.00 0.80 H new ATOM 354 N ARG C 31 17.836 27.377 0.022 1.00 0.50 N ATOM 355 CA ARG C 31 17.172 27.338 -1.311 1.00 0.43 C ATOM 356 C ARG C 31 18.006 26.486 -2.269 1.00 0.41 C ATOM 357 O ARG C 31 19.197 26.323 -2.094 1.00 0.56 O ATOM 358 CB ARG C 31 17.056 28.759 -1.865 1.00 0.57 C ATOM 359 CG ARG C 31 16.187 29.602 -0.930 1.00 0.69 C ATOM 360 CD ARG C 31 17.026 30.737 -0.340 1.00 1.04 C ATOM 361 NE ARG C 31 16.233 31.998 -0.347 1.00 1.69 N ATOM 362 CZ ARG C 31 16.832 33.151 -0.216 1.00 2.19 C ATOM 363 NH1 ARG C 31 18.130 33.204 -0.081 1.00 2.35 N ATOM 364 NH2 ARG C 31 16.133 34.252 -0.221 1.00 3.07 N ATOM 0 H ARG C 31 18.632 28.011 0.093 1.00 0.50 H new ATOM 0 HA ARG C 31 16.177 26.905 -1.209 1.00 0.43 H new ATOM 0 HB2 ARG C 31 18.046 29.206 -1.960 1.00 0.57 H new ATOM 0 HB3 ARG C 31 16.619 28.737 -2.863 1.00 0.57 H new ATOM 0 HG2 ARG C 31 15.336 30.010 -1.476 1.00 0.69 H new ATOM 0 HG3 ARG C 31 15.784 28.980 -0.131 1.00 0.69 H new ATOM 0 HD2 ARG C 31 17.326 30.490 0.678 1.00 1.04 H new ATOM 0 HD3 ARG C 31 17.940 30.867 -0.919 1.00 1.04 H new ATOM 0 HE ARG C 31 15.219 31.961 -0.454 1.00 1.69 H new ATOM 0 HH11 ARG C 31 18.678 32.344 -0.078 1.00 2.35 H new ATOM 0 HH12 ARG C 31 18.596 34.106 0.021 1.00 2.35 H new ATOM 0 HH21 ARG C 31 15.119 34.212 -0.327 1.00 3.07 H new ATOM 0 HH22 ARG C 31 16.600 35.153 -0.119 1.00 3.07 H new ATOM 378 N LEU C 32 17.391 25.939 -3.282 1.00 0.39 N ATOM 379 CA LEU C 32 18.152 25.098 -4.248 1.00 0.44 C ATOM 380 C LEU C 32 17.628 25.340 -5.665 1.00 0.43 C ATOM 381 O LEU C 32 16.453 25.574 -5.870 1.00 0.56 O ATOM 382 CB LEU C 32 17.976 23.622 -3.888 1.00 0.56 C ATOM 383 CG LEU C 32 18.582 23.352 -2.510 1.00 0.60 C ATOM 384 CD1 LEU C 32 17.461 23.199 -1.481 1.00 0.70 C ATOM 385 CD2 LEU C 32 19.407 22.064 -2.562 1.00 0.73 C ATOM 0 H LEU C 32 16.396 26.038 -3.482 1.00 0.39 H new ATOM 0 HA LEU C 32 19.208 25.362 -4.202 1.00 0.44 H new ATOM 0 HB2 LEU C 32 16.918 23.361 -3.888 1.00 0.56 H new ATOM 0 HB3 LEU C 32 18.459 22.995 -4.637 1.00 0.56 H new ATOM 0 HG LEU C 32 19.225 24.185 -2.225 1.00 0.60 H new ATOM 0 HD11 LEU C 32 17.893 23.007 -0.499 1.00 0.70 H new ATOM 0 HD12 LEU C 32 16.872 24.116 -1.445 1.00 0.70 H new ATOM 0 HD13 LEU C 32 16.818 22.366 -1.764 1.00 0.70 H new ATOM 0 HD21 LEU C 32 19.840 21.869 -1.581 1.00 0.73 H new ATOM 0 HD22 LEU C 32 18.764 21.231 -2.846 1.00 0.73 H new ATOM 0 HD23 LEU C 32 20.206 22.173 -3.296 1.00 0.73 H new ATOM 397 N GLN C 33 18.489 25.286 -6.644 1.00 0.37 N ATOM 398 CA GLN C 33 18.036 25.514 -8.045 1.00 0.39 C ATOM 399 C GLN C 33 17.537 24.195 -8.636 1.00 0.40 C ATOM 400 O GLN C 33 18.310 23.320 -8.973 1.00 0.65 O ATOM 401 CB GLN C 33 19.201 26.044 -8.881 1.00 0.48 C ATOM 402 CG GLN C 33 18.675 27.068 -9.889 1.00 0.96 C ATOM 403 CD GLN C 33 19.852 27.787 -10.551 1.00 1.47 C ATOM 404 OE1 GLN C 33 20.994 27.430 -10.340 1.00 2.34 O ATOM 405 NE2 GLN C 33 19.620 28.793 -11.349 1.00 1.88 N ATOM 0 H GLN C 33 19.485 25.094 -6.535 1.00 0.37 H new ATOM 0 HA GLN C 33 17.228 26.245 -8.053 1.00 0.39 H new ATOM 0 HB2 GLN C 33 19.948 26.504 -8.234 1.00 0.48 H new ATOM 0 HB3 GLN C 33 19.693 25.223 -9.402 1.00 0.48 H new ATOM 0 HG2 GLN C 33 18.068 26.570 -10.645 1.00 0.96 H new ATOM 0 HG3 GLN C 33 18.031 27.790 -9.387 1.00 0.96 H new ATOM 0 HE21 GLN C 33 18.661 29.093 -11.526 1.00 1.88 H new ATOM 0 HE22 GLN C 33 20.397 29.280 -11.796 1.00 1.88 H new ATOM 414 N ILE C 34 16.250 24.046 -8.766 1.00 0.43 N ATOM 415 CA ILE C 34 15.698 22.786 -9.335 1.00 0.44 C ATOM 416 C ILE C 34 16.175 22.614 -10.779 1.00 0.43 C ATOM 417 O ILE C 34 16.145 23.537 -11.569 1.00 0.61 O ATOM 418 CB ILE C 34 14.172 22.848 -9.300 1.00 0.56 C ATOM 419 CG1 ILE C 34 13.694 22.856 -7.847 1.00 0.63 C ATOM 420 CG2 ILE C 34 13.589 21.628 -10.017 1.00 0.57 C ATOM 421 CD1 ILE C 34 14.421 21.765 -7.058 1.00 0.54 C ATOM 0 H ILE C 34 15.554 24.744 -8.502 1.00 0.43 H new ATOM 0 HA ILE C 34 16.045 21.937 -8.745 1.00 0.44 H new ATOM 0 HB ILE C 34 13.838 23.757 -9.801 1.00 0.56 H new ATOM 0 HG12 ILE C 34 13.883 23.831 -7.397 1.00 0.63 H new ATOM 0 HG13 ILE C 34 12.617 22.690 -7.807 1.00 0.63 H new ATOM 0 HG21 ILE C 34 12.500 21.676 -9.990 1.00 0.57 H new ATOM 0 HG22 ILE C 34 13.926 21.620 -11.054 1.00 0.57 H new ATOM 0 HG23 ILE C 34 13.925 20.718 -9.519 1.00 0.57 H new ATOM 0 HD11 ILE C 34 14.078 21.774 -6.024 1.00 0.54 H new ATOM 0 HD12 ILE C 34 14.209 20.792 -7.502 1.00 0.54 H new ATOM 0 HD13 ILE C 34 15.495 21.950 -7.086 1.00 0.54 H new ATOM 433 N VAL C 35 16.617 21.436 -11.126 1.00 0.35 N ATOM 434 CA VAL C 35 17.096 21.195 -12.517 1.00 0.39 C ATOM 435 C VAL C 35 15.992 20.502 -13.319 1.00 0.49 C ATOM 436 O VAL C 35 15.244 21.133 -14.039 1.00 0.61 O ATOM 437 CB VAL C 35 18.340 20.300 -12.483 1.00 0.40 C ATOM 438 CG1 VAL C 35 18.793 20.008 -13.914 1.00 0.51 C ATOM 439 CG2 VAL C 35 19.466 21.013 -11.727 1.00 0.47 C ATOM 0 H VAL C 35 16.667 20.628 -10.505 1.00 0.35 H new ATOM 0 HA VAL C 35 17.347 22.146 -12.986 1.00 0.39 H new ATOM 0 HB VAL C 35 18.101 19.365 -11.977 1.00 0.40 H new ATOM 0 HG11 VAL C 35 19.678 19.372 -13.893 1.00 0.51 H new ATOM 0 HG12 VAL C 35 17.993 19.500 -14.452 1.00 0.51 H new ATOM 0 HG13 VAL C 35 19.032 20.944 -14.418 1.00 0.51 H new ATOM 0 HG21 VAL C 35 20.350 20.375 -11.704 1.00 0.47 H new ATOM 0 HG22 VAL C 35 19.707 21.949 -12.231 1.00 0.47 H new ATOM 0 HG23 VAL C 35 19.143 21.223 -10.707 1.00 0.47 H new ATOM 449 N ASN C 36 15.886 19.208 -13.198 1.00 0.64 N ATOM 450 CA ASN C 36 14.834 18.470 -13.949 1.00 0.80 C ATOM 451 C ASN C 36 13.815 17.907 -12.956 1.00 0.84 C ATOM 452 O ASN C 36 14.168 17.234 -12.007 1.00 1.25 O ATOM 453 CB ASN C 36 15.476 17.323 -14.731 1.00 1.16 C ATOM 454 CG ASN C 36 14.976 17.353 -16.177 1.00 1.56 C ATOM 455 OD1 ASN C 36 14.721 18.409 -16.721 1.00 1.80 O ATOM 456 ND2 ASN C 36 14.822 16.232 -16.826 1.00 2.30 N ATOM 0 H ASN C 36 16.485 18.629 -12.609 1.00 0.64 H new ATOM 0 HA ASN C 36 14.335 19.144 -14.645 1.00 0.80 H new ATOM 0 HB2 ASN C 36 16.562 17.415 -14.708 1.00 1.16 H new ATOM 0 HB3 ASN C 36 15.227 16.368 -14.268 1.00 1.16 H new ATOM 0 HD21 ASN C 36 14.488 16.242 -17.790 1.00 2.30 H new ATOM 0 HD22 ASN C 36 15.036 15.345 -16.370 1.00 2.30 H new ATOM 463 N ASN C 37 12.555 18.171 -13.164 1.00 1.21 N ATOM 464 CA ASN C 37 11.527 17.646 -12.224 1.00 1.45 C ATOM 465 C ASN C 37 10.145 17.727 -12.869 1.00 1.23 C ATOM 466 O ASN C 37 9.535 18.778 -12.929 1.00 1.95 O ATOM 467 CB ASN C 37 11.533 18.478 -10.942 1.00 2.43 C ATOM 468 CG ASN C 37 11.226 19.938 -11.279 1.00 3.45 C ATOM 469 OD1 ASN C 37 12.053 20.609 -12.032 1.00 3.97 O flip ATOM 470 ND2 ASN C 37 10.224 20.475 -10.849 1.00 4.14 N flip ATOM 0 H ASN C 37 12.194 18.725 -13.941 1.00 1.21 H new ATOM 0 HA ASN C 37 11.757 16.607 -11.989 1.00 1.45 H new ATOM 0 HB2 ASN C 37 10.792 18.092 -10.242 1.00 2.43 H new ATOM 0 HB3 ASN C 37 12.504 18.403 -10.452 1.00 2.43 H new ATOM 0 HD21 ASN C 37 9.577 19.951 -10.260 1.00 4.14 H new ATOM 0 HD22 ASN C 37 10.030 21.450 -11.077 1.00 4.14 H new ATOM 477 N THR C 38 9.647 16.624 -13.352 1.00 1.53 N ATOM 478 CA THR C 38 8.302 16.636 -13.995 1.00 2.21 C ATOM 479 C THR C 38 7.610 15.277 -13.817 1.00 2.39 C ATOM 480 O THR C 38 6.552 15.040 -14.365 1.00 3.08 O ATOM 481 CB THR C 38 8.461 16.937 -15.487 1.00 2.78 C ATOM 482 OG1 THR C 38 7.206 16.783 -16.136 1.00 3.71 O ATOM 483 CG2 THR C 38 9.479 15.972 -16.096 1.00 2.92 C ATOM 0 H THR C 38 10.111 15.716 -13.330 1.00 1.53 H new ATOM 0 HA THR C 38 7.689 17.404 -13.523 1.00 2.21 H new ATOM 0 HB THR C 38 8.812 17.960 -15.618 1.00 2.78 H new ATOM 0 HG1 THR C 38 6.585 16.313 -15.541 1.00 3.71 H new ATOM 0 HG21 THR C 38 9.593 16.186 -17.159 1.00 2.92 H new ATOM 0 HG22 THR C 38 10.440 16.094 -15.596 1.00 2.92 H new ATOM 0 HG23 THR C 38 9.131 14.947 -15.967 1.00 2.92 H new ATOM 491 N GLU C 39 8.183 14.383 -13.055 1.00 2.19 N ATOM 492 CA GLU C 39 7.538 13.059 -12.863 1.00 2.61 C ATOM 493 C GLU C 39 8.214 12.323 -11.705 1.00 2.14 C ATOM 494 O GLU C 39 7.673 12.219 -10.622 1.00 2.73 O ATOM 495 CB GLU C 39 7.694 12.238 -14.140 1.00 3.30 C ATOM 496 CG GLU C 39 6.317 11.971 -14.752 1.00 4.35 C ATOM 497 CD GLU C 39 6.412 10.797 -15.728 1.00 5.03 C ATOM 498 OE1 GLU C 39 6.800 11.024 -16.863 1.00 5.32 O ATOM 499 OE2 GLU C 39 6.094 9.691 -15.325 1.00 5.59 O ATOM 0 H GLU C 39 9.066 14.515 -12.561 1.00 2.19 H new ATOM 0 HA GLU C 39 6.481 13.197 -12.637 1.00 2.61 H new ATOM 0 HB2 GLU C 39 8.322 12.772 -14.853 1.00 3.30 H new ATOM 0 HB3 GLU C 39 8.194 11.295 -13.919 1.00 3.30 H new ATOM 0 HG2 GLU C 39 5.595 11.747 -13.966 1.00 4.35 H new ATOM 0 HG3 GLU C 39 5.959 12.861 -15.270 1.00 4.35 H new ATOM 506 N GLY C 40 9.393 11.809 -11.936 1.00 1.81 N ATOM 507 CA GLY C 40 10.130 11.072 -10.867 1.00 1.99 C ATOM 508 C GLY C 40 9.915 11.751 -9.513 1.00 1.62 C ATOM 509 O GLY C 40 9.731 12.950 -9.429 1.00 1.97 O ATOM 0 H GLY C 40 9.882 11.869 -12.829 1.00 1.81 H new ATOM 0 HA2 GLY C 40 9.785 10.039 -10.823 1.00 1.99 H new ATOM 0 HA3 GLY C 40 11.194 11.043 -11.103 1.00 1.99 H new ATOM 513 N ASP C 41 9.940 10.991 -8.453 1.00 1.27 N ATOM 514 CA ASP C 41 9.737 11.581 -7.099 1.00 1.04 C ATOM 515 C ASP C 41 11.055 12.154 -6.579 1.00 0.83 C ATOM 516 O ASP C 41 11.118 12.716 -5.503 1.00 1.11 O ATOM 517 CB ASP C 41 9.246 10.493 -6.144 1.00 1.30 C ATOM 518 CG ASP C 41 7.740 10.300 -6.325 1.00 1.65 C ATOM 519 OD1 ASP C 41 7.276 10.434 -7.446 1.00 2.34 O ATOM 520 OD2 ASP C 41 7.076 10.021 -5.341 1.00 1.99 O ATOM 0 H ASP C 41 10.093 9.983 -8.466 1.00 1.27 H new ATOM 0 HA ASP C 41 8.998 12.380 -7.161 1.00 1.04 H new ATOM 0 HB2 ASP C 41 9.770 9.558 -6.341 1.00 1.30 H new ATOM 0 HB3 ASP C 41 9.467 10.771 -5.114 1.00 1.30 H new ATOM 525 N TRP C 42 12.110 12.011 -7.328 1.00 0.67 N ATOM 526 CA TRP C 42 13.420 12.549 -6.875 1.00 0.47 C ATOM 527 C TRP C 42 13.951 13.515 -7.932 1.00 0.43 C ATOM 528 O TRP C 42 14.283 13.127 -9.035 1.00 0.59 O ATOM 529 CB TRP C 42 14.405 11.396 -6.677 1.00 0.53 C ATOM 530 CG TRP C 42 14.192 10.780 -5.292 1.00 0.51 C ATOM 531 CD1 TRP C 42 13.398 9.726 -5.031 1.00 0.58 C ATOM 532 CD2 TRP C 42 14.762 11.208 -4.165 1.00 0.48 C ATOM 533 NE1 TRP C 42 13.525 9.554 -3.714 1.00 0.57 N ATOM 534 CE2 TRP C 42 14.354 10.433 -3.096 1.00 0.51 C ATOM 535 CE3 TRP C 42 15.640 12.255 -3.959 1.00 0.51 C ATOM 536 CZ2 TRP C 42 14.822 10.703 -1.826 1.00 0.53 C ATOM 537 CZ3 TRP C 42 16.107 12.524 -2.687 1.00 0.56 C ATOM 538 CH2 TRP C 42 15.698 11.748 -1.621 1.00 0.55 C ATOM 0 H TRP C 42 12.122 11.544 -8.235 1.00 0.67 H new ATOM 0 HA TRP C 42 13.299 13.076 -5.929 1.00 0.47 H new ATOM 0 HB2 TRP C 42 14.259 10.641 -7.450 1.00 0.53 H new ATOM 0 HB3 TRP C 42 15.429 11.757 -6.773 1.00 0.53 H new ATOM 0 HD1 TRP C 42 12.799 9.154 -5.724 1.00 0.58 H new ATOM 0 HE1 TRP C 42 13.035 8.816 -3.209 1.00 0.57 H new ATOM 0 HE3 TRP C 42 15.961 12.863 -4.792 1.00 0.51 H new ATOM 0 HZ2 TRP C 42 14.502 10.096 -0.992 1.00 0.53 H new ATOM 0 HZ3 TRP C 42 16.793 13.343 -2.526 1.00 0.56 H new ATOM 0 HH2 TRP C 42 16.064 11.959 -0.627 1.00 0.55 H new ATOM 549 N TRP C 43 14.029 14.773 -7.606 1.00 0.33 N ATOM 550 CA TRP C 43 14.535 15.767 -8.589 1.00 0.33 C ATOM 551 C TRP C 43 16.019 16.032 -8.338 1.00 0.32 C ATOM 552 O TRP C 43 16.588 15.574 -7.367 1.00 0.39 O ATOM 553 CB TRP C 43 13.748 17.069 -8.437 1.00 0.41 C ATOM 554 CG TRP C 43 12.254 16.779 -8.604 1.00 0.42 C ATOM 555 CD1 TRP C 43 11.738 15.785 -9.347 1.00 0.51 C ATOM 556 CD2 TRP C 43 11.274 17.470 -8.028 1.00 0.43 C ATOM 557 NE1 TRP C 43 10.420 15.922 -9.184 1.00 0.56 N ATOM 558 CE2 TRP C 43 10.043 16.947 -8.376 1.00 0.51 C ATOM 559 CE3 TRP C 43 11.349 18.560 -7.185 1.00 0.44 C ATOM 560 CZ2 TRP C 43 8.888 17.516 -7.878 1.00 0.56 C ATOM 561 CZ3 TRP C 43 10.193 19.127 -6.687 1.00 0.50 C ATOM 562 CH2 TRP C 43 8.963 18.605 -7.034 1.00 0.55 C ATOM 0 H TRP C 43 13.763 15.156 -6.699 1.00 0.33 H new ATOM 0 HA TRP C 43 14.408 15.378 -9.599 1.00 0.33 H new ATOM 0 HB2 TRP C 43 13.938 17.510 -7.458 1.00 0.41 H new ATOM 0 HB3 TRP C 43 14.075 17.794 -9.182 1.00 0.41 H new ATOM 0 HD1 TRP C 43 12.265 15.049 -9.937 1.00 0.51 H new ATOM 0 HE1 TRP C 43 9.746 15.303 -9.633 1.00 0.56 H new ATOM 0 HE3 TRP C 43 12.311 18.969 -6.915 1.00 0.44 H new ATOM 0 HZ2 TRP C 43 7.925 17.109 -8.149 1.00 0.56 H new ATOM 0 HZ3 TRP C 43 10.251 19.979 -6.026 1.00 0.50 H new ATOM 0 HH2 TRP C 43 8.059 19.049 -6.645 1.00 0.55 H new ATOM 573 N LEU C 44 16.649 16.769 -9.209 1.00 0.35 N ATOM 574 CA LEU C 44 18.093 17.067 -9.028 1.00 0.34 C ATOM 575 C LEU C 44 18.279 18.580 -8.975 1.00 0.32 C ATOM 576 O LEU C 44 18.055 19.275 -9.941 1.00 0.49 O ATOM 577 CB LEU C 44 18.876 16.484 -10.203 1.00 0.44 C ATOM 578 CG LEU C 44 20.353 16.855 -10.072 1.00 0.46 C ATOM 579 CD1 LEU C 44 21.121 15.676 -9.478 1.00 1.15 C ATOM 580 CD2 LEU C 44 20.917 17.181 -11.454 1.00 1.01 C ATOM 0 H LEU C 44 16.223 17.178 -10.041 1.00 0.35 H new ATOM 0 HA LEU C 44 18.458 16.624 -8.102 1.00 0.34 H new ATOM 0 HB2 LEU C 44 18.764 15.400 -10.225 1.00 0.44 H new ATOM 0 HB3 LEU C 44 18.477 16.865 -11.143 1.00 0.44 H new ATOM 0 HG LEU C 44 20.455 17.723 -9.421 1.00 0.46 H new ATOM 0 HD11 LEU C 44 22.175 15.939 -9.384 1.00 1.15 H new ATOM 0 HD12 LEU C 44 20.717 15.437 -8.494 1.00 1.15 H new ATOM 0 HD13 LEU C 44 21.020 14.810 -10.132 1.00 1.15 H new ATOM 0 HD21 LEU C 44 21.970 17.446 -11.364 1.00 1.01 H new ATOM 0 HD22 LEU C 44 20.816 16.311 -12.103 1.00 1.01 H new ATOM 0 HD23 LEU C 44 20.367 18.019 -11.883 1.00 1.01 H new ATOM 592 N ALA C 45 18.688 19.101 -7.854 1.00 0.30 N ATOM 593 CA ALA C 45 18.881 20.572 -7.756 1.00 0.34 C ATOM 594 C ALA C 45 20.372 20.909 -7.711 1.00 0.27 C ATOM 595 O ALA C 45 21.221 20.041 -7.633 1.00 0.40 O ATOM 596 CB ALA C 45 18.202 21.090 -6.489 1.00 0.55 C ATOM 0 H ALA C 45 18.896 18.575 -7.005 1.00 0.30 H new ATOM 0 HA ALA C 45 18.438 21.047 -8.632 1.00 0.34 H new ATOM 0 HB1 ALA C 45 18.343 22.168 -6.416 1.00 0.55 H new ATOM 0 HB2 ALA C 45 17.136 20.865 -6.529 1.00 0.55 H new ATOM 0 HB3 ALA C 45 18.642 20.607 -5.617 1.00 0.55 H new ATOM 602 N HIS C 46 20.686 22.175 -7.756 1.00 0.32 N ATOM 603 CA HIS C 46 22.109 22.606 -7.719 1.00 0.33 C ATOM 604 C HIS C 46 22.251 23.761 -6.722 1.00 0.46 C ATOM 605 O HIS C 46 21.680 24.819 -6.898 1.00 0.58 O ATOM 606 CB HIS C 46 22.522 23.062 -9.127 1.00 0.46 C ATOM 607 CG HIS C 46 23.693 24.047 -9.048 1.00 0.65 C ATOM 608 ND1 HIS C 46 23.687 25.429 -9.014 1.00 0.86 N flip ATOM 609 CD2 HIS C 46 24.917 23.723 -9.000 1.00 0.86 C flip ATOM 610 CE1 HIS C 46 24.948 25.884 -8.945 1.00 1.03 C flip ATOM 611 NE2 HIS C 46 25.656 24.766 -8.940 1.00 1.05 N flip ATOM 0 H HIS C 46 20.009 22.935 -7.817 1.00 0.32 H new ATOM 0 HA HIS C 46 22.752 21.784 -7.405 1.00 0.33 H new ATOM 0 HB2 HIS C 46 22.806 22.198 -9.727 1.00 0.46 H new ATOM 0 HB3 HIS C 46 21.675 23.533 -9.626 1.00 0.46 H new ATOM 0 HD1 HIS C 46 22.852 26.014 -9.038 1.00 0.86 H new ATOM 0 HD2 HIS C 46 25.285 22.708 -9.009 1.00 0.86 H new ATOM 0 HE1 HIS C 46 25.297 26.905 -8.904 1.00 1.03 H new ATOM 619 N SER C 47 23.007 23.566 -5.677 1.00 0.68 N ATOM 620 CA SER C 47 23.183 24.654 -4.674 1.00 0.95 C ATOM 621 C SER C 47 23.799 25.877 -5.355 1.00 0.70 C ATOM 622 O SER C 47 24.407 25.776 -6.402 1.00 1.14 O ATOM 623 CB SER C 47 24.110 24.172 -3.557 1.00 1.60 C ATOM 624 OG SER C 47 23.422 23.234 -2.742 1.00 2.06 O ATOM 0 H SER C 47 23.510 22.702 -5.474 1.00 0.68 H new ATOM 0 HA SER C 47 22.214 24.921 -4.252 1.00 0.95 H new ATOM 0 HB2 SER C 47 25.003 23.714 -3.983 1.00 1.60 H new ATOM 0 HB3 SER C 47 24.442 25.018 -2.955 1.00 1.60 H new ATOM 0 HG SER C 47 24.016 22.924 -2.027 1.00 2.06 H new ATOM 630 N LEU C 48 23.648 27.033 -4.769 1.00 0.85 N ATOM 631 CA LEU C 48 24.226 28.261 -5.385 1.00 1.17 C ATOM 632 C LEU C 48 25.391 28.760 -4.527 1.00 1.18 C ATOM 633 O LEU C 48 26.114 29.659 -4.909 1.00 1.55 O ATOM 634 CB LEU C 48 23.151 29.346 -5.467 1.00 1.55 C ATOM 635 CG LEU C 48 21.922 28.791 -6.190 1.00 1.63 C ATOM 636 CD1 LEU C 48 20.803 29.834 -6.166 1.00 2.28 C ATOM 637 CD2 LEU C 48 22.289 28.467 -7.641 1.00 1.81 C ATOM 0 H LEU C 48 23.150 27.180 -3.891 1.00 0.85 H new ATOM 0 HA LEU C 48 24.585 28.030 -6.388 1.00 1.17 H new ATOM 0 HB2 LEU C 48 22.878 29.679 -4.466 1.00 1.55 H new ATOM 0 HB3 LEU C 48 23.537 30.216 -5.998 1.00 1.55 H new ATOM 0 HG LEU C 48 21.583 27.884 -5.690 1.00 1.63 H new ATOM 0 HD11 LEU C 48 19.927 29.440 -6.681 1.00 2.28 H new ATOM 0 HD12 LEU C 48 20.543 30.065 -5.133 1.00 2.28 H new ATOM 0 HD13 LEU C 48 21.140 30.741 -6.667 1.00 2.28 H new ATOM 0 HD21 LEU C 48 21.415 28.071 -8.158 1.00 1.81 H new ATOM 0 HD22 LEU C 48 22.627 29.374 -8.142 1.00 1.81 H new ATOM 0 HD23 LEU C 48 23.087 27.725 -7.657 1.00 1.81 H new ATOM 649 N THR C 49 25.578 28.185 -3.371 1.00 1.18 N ATOM 650 CA THR C 49 26.696 28.628 -2.491 1.00 1.34 C ATOM 651 C THR C 49 28.023 28.130 -3.068 1.00 1.41 C ATOM 652 O THR C 49 28.821 28.899 -3.567 1.00 1.54 O ATOM 653 CB THR C 49 26.500 28.048 -1.088 1.00 1.60 C ATOM 654 OG1 THR C 49 25.224 28.428 -0.594 1.00 1.75 O ATOM 655 CG2 THR C 49 27.590 28.581 -0.157 1.00 1.92 C ATOM 0 H THR C 49 25.005 27.428 -2.998 1.00 1.18 H new ATOM 0 HA THR C 49 26.708 29.717 -2.436 1.00 1.34 H new ATOM 0 HB THR C 49 26.563 26.961 -1.132 1.00 1.60 H new ATOM 0 HG1 THR C 49 25.097 28.056 0.304 1.00 1.75 H new ATOM 0 HG21 THR C 49 27.450 28.168 0.842 1.00 1.92 H new ATOM 0 HG22 THR C 49 28.569 28.288 -0.537 1.00 1.92 H new ATOM 0 HG23 THR C 49 27.530 29.668 -0.111 1.00 1.92 H new ATOM 663 N THR C 50 28.266 26.849 -3.002 1.00 1.53 N ATOM 664 CA THR C 50 29.541 26.304 -3.547 1.00 1.77 C ATOM 665 C THR C 50 29.347 25.932 -5.019 1.00 1.61 C ATOM 666 O THR C 50 30.261 26.013 -5.815 1.00 2.02 O ATOM 667 CB THR C 50 29.942 25.056 -2.756 1.00 2.12 C ATOM 668 OG1 THR C 50 29.129 24.951 -1.596 1.00 2.62 O ATOM 669 CG2 THR C 50 31.411 25.159 -2.342 1.00 2.61 C ATOM 0 H THR C 50 27.637 26.157 -2.594 1.00 1.53 H new ATOM 0 HA THR C 50 30.325 27.057 -3.461 1.00 1.77 H new ATOM 0 HB THR C 50 29.804 24.173 -3.379 1.00 2.12 H new ATOM 0 HG1 THR C 50 29.383 24.152 -1.089 1.00 2.62 H new ATOM 0 HG21 THR C 50 31.694 24.269 -1.779 1.00 2.61 H new ATOM 0 HG22 THR C 50 32.035 25.239 -3.232 1.00 2.61 H new ATOM 0 HG23 THR C 50 31.552 26.042 -1.719 1.00 2.61 H new ATOM 677 N GLY C 51 28.163 25.525 -5.386 1.00 1.31 N ATOM 678 CA GLY C 51 27.911 25.148 -6.806 1.00 1.21 C ATOM 679 C GLY C 51 28.046 23.631 -6.960 1.00 1.28 C ATOM 680 O GLY C 51 28.746 23.146 -7.826 1.00 1.98 O ATOM 0 H GLY C 51 27.359 25.437 -4.764 1.00 1.31 H new ATOM 0 HA2 GLY C 51 26.914 25.468 -7.107 1.00 1.21 H new ATOM 0 HA3 GLY C 51 28.620 25.656 -7.460 1.00 1.21 H new ATOM 684 N GLN C 52 27.379 22.878 -6.128 1.00 1.09 N ATOM 685 CA GLN C 52 27.472 21.395 -6.231 1.00 1.20 C ATOM 686 C GLN C 52 26.152 20.832 -6.764 1.00 0.89 C ATOM 687 O GLN C 52 25.190 21.551 -6.952 1.00 0.94 O ATOM 688 CB GLN C 52 27.764 20.809 -4.848 1.00 1.48 C ATOM 689 CG GLN C 52 29.247 20.996 -4.520 1.00 1.89 C ATOM 690 CD GLN C 52 29.858 19.649 -4.128 1.00 2.20 C ATOM 691 OE1 GLN C 52 29.744 18.682 -4.856 1.00 2.65 O ATOM 692 NE2 GLN C 52 30.509 19.544 -3.002 1.00 2.69 N ATOM 0 H GLN C 52 26.775 23.225 -5.383 1.00 1.09 H new ATOM 0 HA GLN C 52 28.276 21.127 -6.916 1.00 1.20 H new ATOM 0 HB2 GLN C 52 27.149 21.301 -4.095 1.00 1.48 H new ATOM 0 HB3 GLN C 52 27.506 19.750 -4.828 1.00 1.48 H new ATOM 0 HG2 GLN C 52 29.772 21.408 -5.382 1.00 1.89 H new ATOM 0 HG3 GLN C 52 29.363 21.711 -3.705 1.00 1.89 H new ATOM 0 HE21 GLN C 52 30.605 20.355 -2.391 1.00 2.69 H new ATOM 0 HE22 GLN C 52 30.922 18.651 -2.733 1.00 2.69 H new ATOM 701 N THR C 53 26.099 19.550 -7.009 1.00 0.80 N ATOM 702 CA THR C 53 24.843 18.937 -7.531 1.00 0.54 C ATOM 703 C THR C 53 24.382 17.824 -6.578 1.00 0.38 C ATOM 704 O THR C 53 25.184 17.164 -5.947 1.00 0.49 O ATOM 705 CB THR C 53 25.119 18.363 -8.933 1.00 0.79 C ATOM 706 OG1 THR C 53 24.886 19.374 -9.904 1.00 1.13 O ATOM 707 CG2 THR C 53 24.201 17.171 -9.217 1.00 0.88 C ATOM 0 H THR C 53 26.873 18.900 -6.870 1.00 0.80 H new ATOM 0 HA THR C 53 24.055 19.687 -7.596 1.00 0.54 H new ATOM 0 HB THR C 53 26.155 18.027 -8.979 1.00 0.79 H new ATOM 0 HG1 THR C 53 25.062 19.015 -10.799 1.00 1.13 H new ATOM 0 HG21 THR C 53 24.411 16.779 -10.212 1.00 0.88 H new ATOM 0 HG22 THR C 53 24.377 16.392 -8.476 1.00 0.88 H new ATOM 0 HG23 THR C 53 23.161 17.493 -9.166 1.00 0.88 H new ATOM 715 N GLY C 54 23.095 17.607 -6.472 1.00 0.39 N ATOM 716 CA GLY C 54 22.598 16.536 -5.559 1.00 0.59 C ATOM 717 C GLY C 54 21.103 16.288 -5.794 1.00 0.50 C ATOM 718 O GLY C 54 20.317 17.209 -5.893 1.00 0.53 O ATOM 0 H GLY C 54 22.372 18.122 -6.975 1.00 0.39 H new ATOM 0 HA2 GLY C 54 23.157 15.616 -5.728 1.00 0.59 H new ATOM 0 HA3 GLY C 54 22.767 16.825 -4.522 1.00 0.59 H new ATOM 722 N TYR C 55 20.707 15.043 -5.885 1.00 0.49 N ATOM 723 CA TYR C 55 19.271 14.721 -6.111 1.00 0.46 C ATOM 724 C TYR C 55 18.466 15.060 -4.854 1.00 0.40 C ATOM 725 O TYR C 55 18.574 14.395 -3.843 1.00 0.61 O ATOM 726 CB TYR C 55 19.126 13.226 -6.397 1.00 0.56 C ATOM 727 CG TYR C 55 19.953 12.835 -7.623 1.00 0.76 C ATOM 728 CD1 TYR C 55 19.555 13.208 -8.892 1.00 1.53 C ATOM 729 CD2 TYR C 55 21.098 12.079 -7.479 1.00 1.48 C ATOM 730 CE1 TYR C 55 20.289 12.828 -9.996 1.00 1.83 C ATOM 731 CE2 TYR C 55 21.832 11.699 -8.583 1.00 1.71 C ATOM 732 CZ TYR C 55 21.433 12.070 -9.851 1.00 1.52 C ATOM 733 OH TYR C 55 22.166 11.689 -10.955 1.00 1.93 O ATOM 0 H TYR C 55 21.323 14.233 -5.812 1.00 0.49 H new ATOM 0 HA TYR C 55 18.901 15.302 -6.956 1.00 0.46 H new ATOM 0 HB2 TYR C 55 19.453 12.650 -5.531 1.00 0.56 H new ATOM 0 HB3 TYR C 55 18.077 12.981 -6.565 1.00 0.56 H new ATOM 0 HD1 TYR C 55 18.662 13.802 -9.021 1.00 1.53 H new ATOM 0 HD2 TYR C 55 21.423 11.782 -6.493 1.00 1.48 H new ATOM 0 HE1 TYR C 55 19.966 13.126 -10.982 1.00 1.83 H new ATOM 0 HE2 TYR C 55 22.726 11.107 -8.454 1.00 1.71 H new ATOM 0 HH TYR C 55 22.940 11.161 -10.668 1.00 1.93 H new ATOM 743 N ILE C 56 17.656 16.080 -4.904 1.00 0.42 N ATOM 744 CA ILE C 56 16.853 16.443 -3.703 1.00 0.37 C ATOM 745 C ILE C 56 15.474 15.777 -3.799 1.00 0.35 C ATOM 746 O ILE C 56 14.898 15.710 -4.867 1.00 0.40 O ATOM 747 CB ILE C 56 16.686 17.962 -3.638 1.00 0.42 C ATOM 748 CG1 ILE C 56 16.060 18.465 -4.939 1.00 0.48 C ATOM 749 CG2 ILE C 56 18.056 18.617 -3.447 1.00 0.48 C ATOM 750 CD1 ILE C 56 14.788 19.253 -4.622 1.00 1.00 C ATOM 0 H ILE C 56 17.515 16.676 -5.720 1.00 0.42 H new ATOM 0 HA ILE C 56 17.364 16.100 -2.803 1.00 0.37 H new ATOM 0 HB ILE C 56 16.038 18.219 -2.800 1.00 0.42 H new ATOM 0 HG12 ILE C 56 16.768 19.097 -5.475 1.00 0.48 H new ATOM 0 HG13 ILE C 56 15.826 17.624 -5.592 1.00 0.48 H new ATOM 0 HG21 ILE C 56 17.938 19.700 -3.401 1.00 0.48 H new ATOM 0 HG22 ILE C 56 18.504 18.260 -2.519 1.00 0.48 H new ATOM 0 HG23 ILE C 56 18.703 18.358 -4.285 1.00 0.48 H new ATOM 0 HD11 ILE C 56 14.342 19.612 -5.549 1.00 1.00 H new ATOM 0 HD12 ILE C 56 14.079 18.607 -4.104 1.00 1.00 H new ATOM 0 HD13 ILE C 56 15.036 20.103 -3.986 1.00 1.00 H new ATOM 762 N PRO C 57 14.984 15.302 -2.680 1.00 0.33 N ATOM 763 CA PRO C 57 13.670 14.636 -2.621 1.00 0.36 C ATOM 764 C PRO C 57 12.568 15.610 -3.047 1.00 0.34 C ATOM 765 O PRO C 57 12.618 16.785 -2.745 1.00 0.38 O ATOM 766 CB PRO C 57 13.498 14.233 -1.151 1.00 0.41 C ATOM 767 CG PRO C 57 14.754 14.715 -0.380 1.00 0.41 C ATOM 768 CD PRO C 57 15.694 15.392 -1.391 1.00 0.35 C ATOM 0 HA PRO C 57 13.608 13.776 -3.288 1.00 0.36 H new ATOM 0 HB2 PRO C 57 12.597 14.683 -0.734 1.00 0.41 H new ATOM 0 HB3 PRO C 57 13.385 13.153 -1.061 1.00 0.41 H new ATOM 0 HG2 PRO C 57 14.474 15.414 0.408 1.00 0.41 H new ATOM 0 HG3 PRO C 57 15.253 13.874 0.102 1.00 0.41 H new ATOM 0 HD2 PRO C 57 15.889 16.429 -1.118 1.00 0.35 H new ATOM 0 HD3 PRO C 57 16.659 14.887 -1.434 1.00 0.35 H new ATOM 776 N SER C 58 11.574 15.131 -3.744 1.00 0.42 N ATOM 777 CA SER C 58 10.472 16.029 -4.188 1.00 0.44 C ATOM 778 C SER C 58 9.492 16.264 -3.036 1.00 0.43 C ATOM 779 O SER C 58 8.544 17.014 -3.161 1.00 0.72 O ATOM 780 CB SER C 58 9.733 15.379 -5.359 1.00 0.56 C ATOM 781 OG SER C 58 8.563 14.732 -4.881 1.00 0.86 O ATOM 0 H SER C 58 11.478 14.155 -4.025 1.00 0.42 H new ATOM 0 HA SER C 58 10.891 16.985 -4.500 1.00 0.44 H new ATOM 0 HB2 SER C 58 9.467 16.134 -6.099 1.00 0.56 H new ATOM 0 HB3 SER C 58 10.382 14.659 -5.857 1.00 0.56 H new ATOM 0 HG SER C 58 8.089 14.317 -5.632 1.00 0.86 H new ATOM 787 N ASN C 59 9.708 15.633 -1.915 1.00 0.43 N ATOM 788 CA ASN C 59 8.781 15.830 -0.764 1.00 0.43 C ATOM 789 C ASN C 59 9.446 16.726 0.283 1.00 0.51 C ATOM 790 O ASN C 59 8.837 17.106 1.264 1.00 1.06 O ATOM 791 CB ASN C 59 8.448 14.474 -0.139 1.00 0.50 C ATOM 792 CG ASN C 59 7.089 13.997 -0.657 1.00 1.30 C ATOM 793 OD1 ASN C 59 6.552 14.558 -1.592 1.00 2.14 O ATOM 794 ND2 ASN C 59 6.507 12.978 -0.086 1.00 2.05 N ATOM 0 H ASN C 59 10.483 14.992 -1.746 1.00 0.43 H new ATOM 0 HA ASN C 59 7.864 16.303 -1.115 1.00 0.43 H new ATOM 0 HB2 ASN C 59 9.221 13.747 -0.388 1.00 0.50 H new ATOM 0 HB3 ASN C 59 8.427 14.557 0.948 1.00 0.50 H new ATOM 0 HD21 ASN C 59 5.602 12.652 -0.424 1.00 2.05 H new ATOM 0 HD22 ASN C 59 6.958 12.507 0.699 1.00 2.05 H new ATOM 801 N TYR C 60 10.689 17.070 0.084 1.00 0.37 N ATOM 802 CA TYR C 60 11.387 17.941 1.070 1.00 0.38 C ATOM 803 C TYR C 60 11.591 19.336 0.474 1.00 0.35 C ATOM 804 O TYR C 60 12.359 20.128 0.984 1.00 0.53 O ATOM 805 CB TYR C 60 12.751 17.335 1.411 1.00 0.46 C ATOM 806 CG TYR C 60 12.571 16.089 2.286 1.00 0.40 C ATOM 807 CD1 TYR C 60 11.312 15.659 2.658 1.00 1.12 C ATOM 808 CD2 TYR C 60 13.672 15.376 2.714 1.00 1.35 C ATOM 809 CE1 TYR C 60 11.160 14.535 3.445 1.00 1.17 C ATOM 810 CE2 TYR C 60 13.519 14.254 3.500 1.00 1.36 C ATOM 811 CZ TYR C 60 12.263 13.824 3.872 1.00 0.55 C ATOM 812 OH TYR C 60 12.113 12.702 4.659 1.00 0.69 O ATOM 0 H TYR C 60 11.251 16.785 -0.718 1.00 0.37 H new ATOM 0 HA TYR C 60 10.782 18.016 1.973 1.00 0.38 H new ATOM 0 HB2 TYR C 60 13.280 17.072 0.495 1.00 0.46 H new ATOM 0 HB3 TYR C 60 13.364 18.070 1.933 1.00 0.46 H new ATOM 0 HD1 TYR C 60 10.440 16.206 2.331 1.00 1.12 H new ATOM 0 HD2 TYR C 60 14.663 15.700 2.431 1.00 1.35 H new ATOM 0 HE1 TYR C 60 10.170 14.210 3.729 1.00 1.17 H new ATOM 0 HE2 TYR C 60 14.391 13.707 3.827 1.00 1.36 H new ATOM 0 HH TYR C 60 11.160 12.492 4.751 1.00 0.69 H new ATOM 822 N VAL C 61 10.913 19.644 -0.600 1.00 0.35 N ATOM 823 CA VAL C 61 11.074 20.991 -1.222 1.00 0.35 C ATOM 824 C VAL C 61 9.746 21.445 -1.823 1.00 0.33 C ATOM 825 O VAL C 61 8.822 20.672 -1.978 1.00 0.42 O ATOM 826 CB VAL C 61 12.133 20.930 -2.325 1.00 0.39 C ATOM 827 CG1 VAL C 61 11.848 19.743 -3.245 1.00 0.53 C ATOM 828 CG2 VAL C 61 12.108 22.220 -3.144 1.00 0.49 C ATOM 0 H VAL C 61 10.256 19.023 -1.072 1.00 0.35 H new ATOM 0 HA VAL C 61 11.388 21.700 -0.456 1.00 0.35 H new ATOM 0 HB VAL C 61 13.115 20.812 -1.867 1.00 0.39 H new ATOM 0 HG11 VAL C 61 12.603 19.701 -4.030 1.00 0.53 H new ATOM 0 HG12 VAL C 61 11.875 18.820 -2.666 1.00 0.53 H new ATOM 0 HG13 VAL C 61 10.863 19.860 -3.696 1.00 0.53 H new ATOM 0 HG21 VAL C 61 12.865 22.169 -3.927 1.00 0.49 H new ATOM 0 HG22 VAL C 61 11.125 22.344 -3.597 1.00 0.49 H new ATOM 0 HG23 VAL C 61 12.317 23.069 -2.493 1.00 0.49 H new ATOM 838 N ALA C 62 9.647 22.699 -2.157 1.00 0.35 N ATOM 839 CA ALA C 62 8.382 23.217 -2.751 1.00 0.34 C ATOM 840 C ALA C 62 8.672 24.510 -3.521 1.00 0.34 C ATOM 841 O ALA C 62 9.516 25.288 -3.124 1.00 0.40 O ATOM 842 CB ALA C 62 7.373 23.504 -1.638 1.00 0.39 C ATOM 0 H ALA C 62 10.388 23.391 -2.045 1.00 0.35 H new ATOM 0 HA ALA C 62 7.970 22.472 -3.431 1.00 0.34 H new ATOM 0 HB1 ALA C 62 6.448 23.883 -2.074 1.00 0.39 H new ATOM 0 HB2 ALA C 62 7.166 22.585 -1.089 1.00 0.39 H new ATOM 0 HB3 ALA C 62 7.785 24.249 -0.957 1.00 0.39 H new ATOM 848 N PRO C 63 7.957 24.703 -4.603 1.00 0.40 N ATOM 849 CA PRO C 63 8.122 25.899 -5.448 1.00 0.50 C ATOM 850 C PRO C 63 7.791 27.162 -4.647 1.00 0.53 C ATOM 851 O PRO C 63 6.762 27.252 -4.008 1.00 0.73 O ATOM 852 CB PRO C 63 7.120 25.712 -6.595 1.00 0.63 C ATOM 853 CG PRO C 63 6.375 24.373 -6.358 1.00 0.61 C ATOM 854 CD PRO C 63 6.934 23.748 -5.070 1.00 0.47 C ATOM 0 HA PRO C 63 9.143 26.012 -5.811 1.00 0.50 H new ATOM 0 HB2 PRO C 63 6.414 26.542 -6.625 1.00 0.63 H new ATOM 0 HB3 PRO C 63 7.636 25.698 -7.555 1.00 0.63 H new ATOM 0 HG2 PRO C 63 5.302 24.543 -6.266 1.00 0.61 H new ATOM 0 HG3 PRO C 63 6.519 23.700 -7.203 1.00 0.61 H new ATOM 0 HD2 PRO C 63 6.151 23.611 -4.324 1.00 0.47 H new ATOM 0 HD3 PRO C 63 7.367 22.766 -5.262 1.00 0.47 H new ATOM 862 N SER C 64 8.657 28.138 -4.675 1.00 0.66 N ATOM 863 CA SER C 64 8.390 29.392 -3.915 1.00 0.74 C ATOM 864 C SER C 64 9.479 30.421 -4.229 1.00 1.29 C ATOM 865 O SER C 64 9.205 31.329 -4.996 1.00 1.84 O ATOM 866 CB SER C 64 8.383 29.086 -2.414 1.00 1.63 C ATOM 867 OG SER C 64 9.130 30.076 -1.720 1.00 2.30 O ATOM 868 OXT SER C 64 10.568 30.282 -3.698 1.00 2.08 O ATOM 0 H SER C 64 9.537 28.121 -5.191 1.00 0.66 H new ATOM 0 HA SER C 64 7.420 29.796 -4.205 1.00 0.74 H new ATOM 0 HB2 SER C 64 7.359 29.063 -2.043 1.00 1.63 H new ATOM 0 HB3 SER C 64 8.810 28.100 -2.232 1.00 1.63 H new ATOM 0 HG SER C 64 10.030 30.134 -2.103 1.00 2.30 H new TER 874 SER C 64 ATOM 875 N ALA A 71 7.243 16.975 13.056 1.00 4.90 N ATOM 876 CA ALA A 71 8.662 16.949 13.510 1.00 4.34 C ATOM 877 C ALA A 71 9.472 16.022 12.598 1.00 3.45 C ATOM 878 O ALA A 71 10.556 16.358 12.165 1.00 3.69 O ATOM 879 CB ALA A 71 8.725 16.441 14.954 1.00 4.95 C ATOM 0 HA ALA A 71 9.080 17.954 13.463 1.00 4.34 H new ATOM 0 HB1 ALA A 71 9.762 16.421 15.288 1.00 4.95 H new ATOM 0 HB2 ALA A 71 8.149 17.105 15.599 1.00 4.95 H new ATOM 0 HB3 ALA A 71 8.309 15.435 15.004 1.00 4.95 H new ATOM 887 N PHE A 72 8.958 14.860 12.299 1.00 2.86 N ATOM 888 CA PHE A 72 9.707 13.920 11.414 1.00 2.32 C ATOM 889 C PHE A 72 9.246 14.106 9.967 1.00 1.86 C ATOM 890 O PHE A 72 8.096 13.892 9.640 1.00 1.97 O ATOM 891 CB PHE A 72 9.438 12.476 11.847 1.00 2.87 C ATOM 892 CG PHE A 72 10.689 11.895 12.510 1.00 3.36 C ATOM 893 CD1 PHE A 72 11.794 11.557 11.750 1.00 3.96 C ATOM 894 CD2 PHE A 72 10.726 11.690 13.878 1.00 3.82 C ATOM 895 CE1 PHE A 72 12.917 11.023 12.349 1.00 4.84 C ATOM 896 CE2 PHE A 72 11.849 11.156 14.475 1.00 4.61 C ATOM 897 CZ PHE A 72 12.945 10.822 13.711 1.00 5.07 C ATOM 0 H PHE A 72 8.054 14.521 12.628 1.00 2.86 H new ATOM 0 HA PHE A 72 10.774 14.129 11.490 1.00 2.32 H new ATOM 0 HB2 PHE A 72 8.599 12.445 12.542 1.00 2.87 H new ATOM 0 HB3 PHE A 72 9.159 11.873 10.983 1.00 2.87 H new ATOM 0 HD1 PHE A 72 11.778 11.712 10.681 1.00 3.96 H new ATOM 0 HD2 PHE A 72 9.870 11.950 14.483 1.00 3.82 H new ATOM 0 HE1 PHE A 72 13.776 10.762 11.748 1.00 4.84 H new ATOM 0 HE2 PHE A 72 11.869 11.000 15.543 1.00 4.61 H new ATOM 0 HZ PHE A 72 13.824 10.404 14.179 1.00 5.07 H new ATOM 907 N ALA A 73 10.132 14.505 9.095 1.00 1.54 N ATOM 908 CA ALA A 73 9.735 14.699 7.673 1.00 1.20 C ATOM 909 C ALA A 73 9.210 13.374 7.113 1.00 1.12 C ATOM 910 O ALA A 73 9.517 12.320 7.633 1.00 1.17 O ATOM 911 CB ALA A 73 10.946 15.155 6.856 1.00 1.11 C ATOM 0 H ALA A 73 11.110 14.704 9.306 1.00 1.54 H new ATOM 0 HA ALA A 73 8.956 15.459 7.613 1.00 1.20 H new ATOM 0 HB1 ALA A 73 10.651 15.296 5.816 1.00 1.11 H new ATOM 0 HB2 ALA A 73 11.322 16.096 7.257 1.00 1.11 H new ATOM 0 HB3 ALA A 73 11.729 14.398 6.912 1.00 1.11 H new ATOM 917 N PRO A 74 8.435 13.466 6.063 1.00 1.10 N ATOM 918 CA PRO A 74 7.854 12.280 5.411 1.00 1.15 C ATOM 919 C PRO A 74 8.966 11.296 5.020 1.00 0.96 C ATOM 920 O PRO A 74 10.016 11.704 4.569 1.00 0.94 O ATOM 921 CB PRO A 74 7.140 12.828 4.167 1.00 1.26 C ATOM 922 CG PRO A 74 7.230 14.377 4.220 1.00 1.22 C ATOM 923 CD PRO A 74 8.089 14.754 5.436 1.00 1.12 C ATOM 0 HA PRO A 74 7.170 11.735 6.062 1.00 1.15 H new ATOM 0 HB2 PRO A 74 7.607 12.448 3.259 1.00 1.26 H new ATOM 0 HB3 PRO A 74 6.099 12.505 4.149 1.00 1.26 H new ATOM 0 HG2 PRO A 74 7.673 14.766 3.303 1.00 1.22 H new ATOM 0 HG3 PRO A 74 6.235 14.815 4.304 1.00 1.22 H new ATOM 0 HD2 PRO A 74 8.983 15.301 5.135 1.00 1.12 H new ATOM 0 HD3 PRO A 74 7.540 15.395 6.125 1.00 1.12 H new ATOM 931 N PRO A 75 8.699 10.025 5.200 1.00 0.89 N ATOM 932 CA PRO A 75 9.671 8.968 4.872 1.00 0.82 C ATOM 933 C PRO A 75 10.074 9.055 3.397 1.00 0.77 C ATOM 934 O PRO A 75 9.249 8.966 2.510 1.00 0.98 O ATOM 935 CB PRO A 75 8.937 7.651 5.161 1.00 0.90 C ATOM 936 CG PRO A 75 7.533 8.008 5.717 1.00 0.97 C ATOM 937 CD PRO A 75 7.409 9.541 5.725 1.00 0.97 C ATOM 0 HA PRO A 75 10.590 9.056 5.452 1.00 0.82 H new ATOM 0 HB2 PRO A 75 8.849 7.055 4.253 1.00 0.90 H new ATOM 0 HB3 PRO A 75 9.494 7.053 5.882 1.00 0.90 H new ATOM 0 HG2 PRO A 75 6.753 7.564 5.099 1.00 0.97 H new ATOM 0 HG3 PRO A 75 7.407 7.609 6.724 1.00 0.97 H new ATOM 0 HD2 PRO A 75 6.578 9.874 5.103 1.00 0.97 H new ATOM 0 HD3 PRO A 75 7.225 9.918 6.731 1.00 0.97 H new ATOM 945 N LEU A 76 11.341 9.229 3.132 1.00 0.65 N ATOM 946 CA LEU A 76 11.801 9.322 1.718 1.00 0.68 C ATOM 947 C LEU A 76 11.195 8.170 0.904 1.00 0.76 C ATOM 948 O LEU A 76 11.313 7.023 1.286 1.00 0.90 O ATOM 949 CB LEU A 76 13.327 9.222 1.673 1.00 0.69 C ATOM 950 CG LEU A 76 13.940 10.448 2.351 1.00 0.78 C ATOM 951 CD1 LEU A 76 15.432 10.207 2.592 1.00 0.91 C ATOM 952 CD2 LEU A 76 13.760 11.672 1.450 1.00 0.81 C ATOM 0 H LEU A 76 12.077 9.311 3.834 1.00 0.65 H new ATOM 0 HA LEU A 76 11.482 10.275 1.295 1.00 0.68 H new ATOM 0 HB2 LEU A 76 13.657 8.313 2.175 1.00 0.69 H new ATOM 0 HB3 LEU A 76 13.667 9.157 0.640 1.00 0.69 H new ATOM 0 HG LEU A 76 13.442 10.622 3.305 1.00 0.78 H new ATOM 0 HD11 LEU A 76 15.868 11.081 3.075 1.00 0.91 H new ATOM 0 HD12 LEU A 76 15.561 9.335 3.234 1.00 0.91 H new ATOM 0 HD13 LEU A 76 15.931 10.032 1.639 1.00 0.91 H new ATOM 0 HD21 LEU A 76 14.197 12.546 1.933 1.00 0.81 H new ATOM 0 HD22 LEU A 76 14.257 11.498 0.496 1.00 0.81 H new ATOM 0 HD23 LEU A 76 12.697 11.845 1.279 1.00 0.81 H new ATOM 964 N PRO A 77 10.561 8.506 -0.195 1.00 0.77 N ATOM 965 CA PRO A 77 9.932 7.502 -1.072 1.00 0.90 C ATOM 966 C PRO A 77 10.998 6.563 -1.646 1.00 0.88 C ATOM 967 O PRO A 77 12.182 6.785 -1.488 1.00 1.24 O ATOM 968 CB PRO A 77 9.272 8.316 -2.193 1.00 0.99 C ATOM 969 CG PRO A 77 9.584 9.813 -1.935 1.00 0.96 C ATOM 970 CD PRO A 77 10.416 9.902 -0.646 1.00 0.79 C ATOM 0 HA PRO A 77 9.212 6.879 -0.541 1.00 0.90 H new ATOM 0 HB2 PRO A 77 9.655 8.008 -3.166 1.00 0.99 H new ATOM 0 HB3 PRO A 77 8.195 8.146 -2.206 1.00 0.99 H new ATOM 0 HG2 PRO A 77 10.133 10.239 -2.775 1.00 0.96 H new ATOM 0 HG3 PRO A 77 8.661 10.384 -1.835 1.00 0.96 H new ATOM 0 HD2 PRO A 77 11.387 10.360 -0.833 1.00 0.79 H new ATOM 0 HD3 PRO A 77 9.916 10.511 0.107 1.00 0.79 H new ATOM 978 N ARG A 78 10.589 5.517 -2.311 1.00 1.16 N ATOM 979 CA ARG A 78 11.583 4.571 -2.891 1.00 1.20 C ATOM 980 C ARG A 78 12.039 5.087 -4.259 1.00 1.03 C ATOM 981 O ARG A 78 11.249 5.568 -5.046 1.00 1.46 O ATOM 982 CB ARG A 78 10.944 3.189 -3.053 1.00 1.52 C ATOM 983 CG ARG A 78 12.034 2.116 -3.006 1.00 2.16 C ATOM 984 CD ARG A 78 11.823 1.226 -1.779 1.00 2.72 C ATOM 985 NE ARG A 78 12.400 -0.124 -2.038 1.00 3.51 N ATOM 986 CZ ARG A 78 13.693 -0.307 -1.986 1.00 4.03 C ATOM 987 NH1 ARG A 78 14.487 0.689 -1.698 1.00 3.98 N ATOM 988 NH2 ARG A 78 14.193 -1.490 -2.220 1.00 4.97 N ATOM 0 H ARG A 78 9.612 5.277 -2.477 1.00 1.16 H new ATOM 0 HA ARG A 78 12.443 4.495 -2.225 1.00 1.20 H new ATOM 0 HB2 ARG A 78 10.216 3.018 -2.260 1.00 1.52 H new ATOM 0 HB3 ARG A 78 10.405 3.134 -3.999 1.00 1.52 H new ATOM 0 HG2 ARG A 78 12.006 1.514 -3.914 1.00 2.16 H new ATOM 0 HG3 ARG A 78 13.018 2.584 -2.964 1.00 2.16 H new ATOM 0 HD2 ARG A 78 12.297 1.674 -0.906 1.00 2.72 H new ATOM 0 HD3 ARG A 78 10.759 1.142 -1.556 1.00 2.72 H new ATOM 0 HE ARG A 78 11.784 -0.907 -2.256 1.00 3.51 H new ATOM 0 HH11 ARG A 78 14.099 1.614 -1.513 1.00 3.98 H new ATOM 0 HH12 ARG A 78 15.496 0.542 -1.658 1.00 3.98 H new ATOM 0 HH21 ARG A 78 13.575 -2.270 -2.443 1.00 4.97 H new ATOM 0 HH22 ARG A 78 15.202 -1.634 -2.180 1.00 4.97 H new ATOM 1002 N ARG A 79 13.309 4.990 -4.549 1.00 0.95 N ATOM 1003 CA ARG A 79 13.812 5.476 -5.866 1.00 0.99 C ATOM 1004 C ARG A 79 13.353 4.523 -6.971 1.00 1.40 C ATOM 1005 O ARG A 79 14.187 3.790 -7.477 1.00 1.97 O ATOM 1006 CB ARG A 79 15.341 5.531 -5.843 1.00 1.21 C ATOM 1007 CG ARG A 79 15.803 6.568 -4.817 1.00 1.10 C ATOM 1008 CD ARG A 79 17.131 7.175 -5.274 1.00 1.54 C ATOM 1009 NE ARG A 79 17.986 7.462 -4.087 1.00 1.97 N ATOM 1010 CZ ARG A 79 19.035 8.231 -4.207 1.00 1.67 C ATOM 1011 NH1 ARG A 79 19.331 8.764 -5.363 1.00 1.35 N ATOM 1012 NH2 ARG A 79 19.789 8.472 -3.170 1.00 2.33 N ATOM 1013 OXT ARG A 79 12.177 4.542 -7.292 1.00 1.89 O ATOM 0 H ARG A 79 14.019 4.596 -3.932 1.00 0.95 H new ATOM 0 HA ARG A 79 13.417 6.473 -6.058 1.00 0.99 H new ATOM 0 HB2 ARG A 79 15.746 4.551 -5.592 1.00 1.21 H new ATOM 0 HB3 ARG A 79 15.720 5.789 -6.832 1.00 1.21 H new ATOM 0 HG2 ARG A 79 15.051 7.350 -4.709 1.00 1.10 H new ATOM 0 HG3 ARG A 79 15.921 6.101 -3.839 1.00 1.10 H new ATOM 0 HD2 ARG A 79 17.644 6.487 -5.946 1.00 1.54 H new ATOM 0 HD3 ARG A 79 16.949 8.092 -5.834 1.00 1.54 H new ATOM 0 HE ARG A 79 17.752 7.058 -3.180 1.00 1.97 H new ATOM 0 HH11 ARG A 79 18.742 8.580 -6.175 1.00 1.35 H new ATOM 0 HH12 ARG A 79 20.151 9.364 -5.453 1.00 1.35 H new ATOM 0 HH21 ARG A 79 19.559 8.060 -2.266 1.00 2.33 H new ATOM 0 HH22 ARG A 79 20.608 9.072 -3.264 1.00 2.33 H new TER 1027 ARG A 79 END