USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) HEADER PHOSPHOTRANSFERASE 07-MAR-94 1PKS TITLE STRUCTURE OF THE PI3K SH3 DOMAIN AND ANALYSIS OF THE SH3 TITLE 2 FAMILY COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT COMPND 3 SH3 DOMAIN; COMPND 4 CHAIN: A; COMPND 5 EC: 2.7.1.137; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS PHOSPHOTRANSFERASE EXPDTA SOLUTION NMR AUTHOR S.KOYAMA,H.YU,D.C.DALGARNO,T.B.SHIN,L.D.ZYDOWSKY, AUTHOR 2 S.L.SCHREIBER REVDAT 2 24-FEB-09 1PKS 1 VERSN REVDAT 1 31-MAY-94 1PKS 0 JRNL AUTH S.KOYAMA,H.YU,D.C.DALGARNO,T.B.SHIN,L.D.ZYDOWSKY, JRNL AUTH 2 S.L.SCHREIBER JRNL TITL STRUCTURE OF THE PI3K SH3 DOMAIN AND ANALYSIS OF JRNL TITL 2 THE SH3 FAMILY. JRNL REF CELL(CAMBRIDGE,MASS.) V. 72 945 1993 JRNL REFN ISSN 0092-8674 JRNL PMID 7681364 JRNL DOI 10.1016/0092-8674(93)90582-B REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.KOYAMA,H.YU,D.C.DALGARNO,T.B.SHIN,L.D.ZYDOWSKY, REMARK 1 AUTH 2 S.L.SCHREIBER REMARK 1 TITL 1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF REMARK 1 TITL 2 THE PI3K SH3 DOMAIN REMARK 1 REF FEBS LETT. V. 324 93 1993 REMARK 1 REFN ISSN 0014-5793 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 1PKS 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 MET A 1 REMARK 465 SER A 2 REMARK 465 ALA A 3 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 A 25 CG HIS A 25 ND1 -0.101 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 A 55 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.5 DEGREES REMARK 500 TRP A 55 NE1 - CE2 - CD2 ANGL. DEV. = -6.3 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 LYS A 16 88.53 -54.18 REMARK 500 GLU A 17 -76.35 -89.99 REMARK 500 ASN A 33 176.80 -51.76 REMARK 500 PHE A 42 -177.44 -49.78 REMARK 500 ASP A 44 85.78 -68.46 REMARK 500 ALA A 48 41.94 -95.48 REMARK 500 ARG A 49 66.25 -156.24 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PKT RELATED DB: PDB DBREF 1PKS A 1 79 UNP P27986 P85A_HUMAN 1 79 SEQRES 1 A 79 MET SER ALA GLU GLY TYR GLN TYR ARG ALA LEU TYR ASP SEQRES 2 A 79 TYR LYS LYS GLU ARG GLU GLU ASP ILE ASP LEU HIS LEU SEQRES 3 A 79 GLY ASP ILE LEU THR VAL ASN LYS GLY SER LEU VAL ALA SEQRES 4 A 79 LEU GLY PHE SER ASP GLY GLN GLU ALA ARG PRO GLU GLU SEQRES 5 A 79 ILE GLY TRP LEU ASN GLY TYR ASN GLU THR THR GLY GLU SEQRES 6 A 79 ARG GLY ASP PHE PRO GLY THR TYR VAL GLU TYR ILE GLY SEQRES 7 A 79 ARG HELIX 1 H1 LYS A 34 ALA A 39 1RIGHT-HANDED ALPHA HELIX 6 HELIX 2 H2 GLN A 46 ARG A 49 1RIGHT-HANDED 3=10= HELIX 4 HELIX 3 H3 PRO A 50 ILE A 53 1RIGHT-HANDED 3=10= HELIX 4 HELIX 4 H4 GLY A 71 VAL A 74 1RIGHT-HANDED 3=10= HELIX 4 SHEET 1 S1 5 GLU A 65 PRO A 70 0 SHEET 2 S1 5 TRP A 55 ASN A 60 -1 N GLY A 58 O GLY A 67 SHEET 3 S1 5 ASP A 28 VAL A 32 -1 N THR A 31 O TYR A 59 SHEET 4 S1 5 TYR A 6 LEU A 11 -1 N TYR A 8 O LEU A 30 SHEET 5 S1 5 VAL A 74 GLY A 78 -1 N GLU A 75 O ARG A 9 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 TYR OH : rot 180:sc= -0.842 USER MOD Single : A 7 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.7) USER MOD Single : A 8 TYR OH : rot 3:sc= -6.94! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -164:sc= 0.303 USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.123) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -6.69! C(o=-6.7!,f=-5.4!) USER MOD Single : A 31 THR OG1 : rot -170:sc= -1.93! USER MOD Single : A 33 ASN : amide:sc= -0.289 K(o=-0.29,f=-3.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.037) USER MOD Single : A 57 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.98) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -10.9! C(o=-11!,f=-10!) USER MOD Single : A 62 THR OG1 : rot -130:sc= -0.193 USER MOD Single : A 63 THR OG1 : rot -103:sc= -1.51 USER MOD Single : A 72 THR OG1 : rot 76:sc= -0.191 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 100:sc= -0.914! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 4.554 -19.867 -8.416 1.00 3.24 N ATOM 2 CA GLU A 4 5.223 -19.537 -9.706 1.00 2.56 C ATOM 3 C GLU A 4 5.544 -18.041 -9.745 1.00 1.89 C ATOM 4 O GLU A 4 4.811 -17.249 -10.301 1.00 2.25 O ATOM 5 CB GLU A 4 4.294 -19.900 -10.865 1.00 3.12 C ATOM 6 CG GLU A 4 3.972 -21.396 -10.804 1.00 3.83 C ATOM 7 CD GLU A 4 4.206 -22.028 -12.178 1.00 4.57 C ATOM 8 OE1 GLU A 4 5.278 -21.828 -12.726 1.00 4.97 O ATOM 9 OE2 GLU A 4 3.310 -22.702 -12.658 1.00 5.11 O ATOM 0 HA GLU A 4 6.149 -20.104 -9.796 1.00 2.56 H new ATOM 0 HB2 GLU A 4 3.376 -19.316 -10.807 1.00 3.12 H new ATOM 0 HB3 GLU A 4 4.767 -19.656 -11.816 1.00 3.12 H new ATOM 0 HG2 GLU A 4 4.599 -21.883 -10.057 1.00 3.83 H new ATOM 0 HG3 GLU A 4 2.937 -21.543 -10.496 1.00 3.83 H new ATOM 15 N GLY A 5 6.644 -17.656 -9.158 1.00 1.37 N ATOM 16 CA GLY A 5 7.031 -16.217 -9.148 1.00 0.87 C ATOM 17 C GLY A 5 7.672 -15.900 -7.795 1.00 0.81 C ATOM 18 O GLY A 5 7.582 -16.679 -6.868 1.00 1.26 O ATOM 0 H GLY A 5 7.295 -18.280 -8.682 1.00 1.37 H new ATOM 0 HA2 GLY A 5 7.730 -16.006 -9.958 1.00 0.87 H new ATOM 0 HA3 GLY A 5 6.156 -15.588 -9.310 1.00 0.87 H new ATOM 22 N TYR A 6 8.317 -14.772 -7.660 1.00 0.52 N ATOM 23 CA TYR A 6 8.946 -14.451 -6.349 1.00 0.47 C ATOM 24 C TYR A 6 7.967 -13.671 -5.468 1.00 0.45 C ATOM 25 O TYR A 6 7.614 -12.541 -5.750 1.00 0.70 O ATOM 26 CB TYR A 6 10.212 -13.613 -6.549 1.00 0.56 C ATOM 27 CG TYR A 6 11.064 -14.197 -7.676 1.00 0.61 C ATOM 28 CD1 TYR A 6 11.875 -15.288 -7.448 1.00 1.38 C ATOM 29 CD2 TYR A 6 11.039 -13.635 -8.935 1.00 1.32 C ATOM 30 CE1 TYR A 6 12.646 -15.813 -8.464 1.00 1.45 C ATOM 31 CE2 TYR A 6 11.809 -14.158 -9.951 1.00 1.34 C ATOM 32 CZ TYR A 6 12.620 -15.251 -9.725 1.00 0.80 C ATOM 33 OH TYR A 6 13.393 -15.773 -10.742 1.00 0.93 O ATOM 0 H TYR A 6 8.434 -14.069 -8.390 1.00 0.52 H new ATOM 0 HA TYR A 6 9.209 -15.390 -5.863 1.00 0.47 H new ATOM 0 HB2 TYR A 6 9.941 -12.584 -6.785 1.00 0.56 H new ATOM 0 HB3 TYR A 6 10.789 -13.587 -5.624 1.00 0.56 H new ATOM 0 HD1 TYR A 6 11.907 -15.735 -6.466 1.00 1.38 H new ATOM 0 HD2 TYR A 6 10.411 -12.778 -9.126 1.00 1.32 H new ATOM 0 HE1 TYR A 6 13.275 -16.670 -8.272 1.00 1.45 H new ATOM 0 HE2 TYR A 6 11.777 -13.709 -10.933 1.00 1.34 H new ATOM 0 HH TYR A 6 13.250 -15.254 -11.561 1.00 0.93 H new ATOM 43 N GLN A 7 7.502 -14.283 -4.417 1.00 0.44 N ATOM 44 CA GLN A 7 6.547 -13.591 -3.505 1.00 0.40 C ATOM 45 C GLN A 7 7.323 -13.014 -2.314 1.00 0.37 C ATOM 46 O GLN A 7 8.082 -13.711 -1.668 1.00 0.45 O ATOM 47 CB GLN A 7 5.516 -14.598 -2.991 1.00 0.47 C ATOM 48 CG GLN A 7 4.327 -14.650 -3.950 1.00 0.63 C ATOM 49 CD GLN A 7 3.662 -16.024 -3.863 1.00 1.15 C ATOM 50 OE1 GLN A 7 3.677 -16.781 -4.814 1.00 1.98 O ATOM 51 NE2 GLN A 7 3.073 -16.381 -2.755 1.00 1.52 N ATOM 0 H GLN A 7 7.742 -15.237 -4.148 1.00 0.44 H new ATOM 0 HA GLN A 7 6.040 -12.790 -4.042 1.00 0.40 H new ATOM 0 HB2 GLN A 7 5.969 -15.585 -2.904 1.00 0.47 H new ATOM 0 HB3 GLN A 7 5.180 -14.313 -1.994 1.00 0.47 H new ATOM 0 HG2 GLN A 7 3.609 -13.870 -3.698 1.00 0.63 H new ATOM 0 HG3 GLN A 7 4.660 -14.459 -4.970 1.00 0.63 H new ATOM 0 HE21 GLN A 7 3.060 -15.746 -1.957 1.00 1.52 H new ATOM 0 HE22 GLN A 7 2.625 -17.295 -2.687 1.00 1.52 H new ATOM 60 N TYR A 8 7.152 -11.751 -2.012 1.00 0.31 N ATOM 61 CA TYR A 8 7.897 -11.166 -0.855 1.00 0.29 C ATOM 62 C TYR A 8 6.923 -10.709 0.227 1.00 0.28 C ATOM 63 O TYR A 8 5.721 -10.821 0.093 1.00 0.34 O ATOM 64 CB TYR A 8 8.725 -9.946 -1.278 1.00 0.34 C ATOM 65 CG TYR A 8 8.707 -9.746 -2.792 1.00 0.31 C ATOM 66 CD1 TYR A 8 9.011 -10.783 -3.646 1.00 1.24 C ATOM 67 CD2 TYR A 8 8.470 -8.494 -3.319 1.00 1.22 C ATOM 68 CE1 TYR A 8 9.089 -10.570 -5.000 1.00 1.23 C ATOM 69 CE2 TYR A 8 8.546 -8.282 -4.677 1.00 1.24 C ATOM 70 CZ TYR A 8 8.858 -9.320 -5.529 1.00 0.34 C ATOM 71 OH TYR A 8 8.953 -9.108 -6.887 1.00 0.38 O ATOM 0 H TYR A 8 6.537 -11.107 -2.509 1.00 0.31 H new ATOM 0 HA TYR A 8 8.558 -11.946 -0.478 1.00 0.29 H new ATOM 0 HB2 TYR A 8 8.334 -9.054 -0.789 1.00 0.34 H new ATOM 0 HB3 TYR A 8 9.754 -10.070 -0.940 1.00 0.34 H new ATOM 0 HD1 TYR A 8 9.189 -11.771 -3.248 1.00 1.24 H new ATOM 0 HD2 TYR A 8 8.223 -7.674 -2.661 1.00 1.22 H new ATOM 0 HE1 TYR A 8 9.334 -11.391 -5.657 1.00 1.23 H new ATOM 0 HE2 TYR A 8 8.360 -7.296 -5.078 1.00 1.24 H new ATOM 0 HH TYR A 8 9.147 -9.956 -7.338 1.00 0.38 H new ATOM 81 N ARG A 9 7.449 -10.193 1.305 1.00 0.29 N ATOM 82 CA ARG A 9 6.581 -9.714 2.416 1.00 0.35 C ATOM 83 C ARG A 9 6.752 -8.201 2.549 1.00 0.37 C ATOM 84 O ARG A 9 7.830 -7.671 2.363 1.00 0.54 O ATOM 85 CB ARG A 9 6.996 -10.391 3.722 1.00 0.41 C ATOM 86 CG ARG A 9 5.750 -10.738 4.537 1.00 0.78 C ATOM 87 CD ARG A 9 5.808 -12.210 4.948 1.00 1.27 C ATOM 88 NE ARG A 9 5.502 -12.332 6.402 1.00 1.53 N ATOM 89 CZ ARG A 9 5.859 -13.403 7.060 1.00 2.08 C ATOM 90 NH1 ARG A 9 6.484 -14.374 6.449 1.00 2.69 N ATOM 91 NH2 ARG A 9 5.589 -13.504 8.332 1.00 2.64 N ATOM 0 H ARG A 9 8.451 -10.083 1.464 1.00 0.29 H new ATOM 0 HA ARG A 9 5.539 -9.957 2.205 1.00 0.35 H new ATOM 0 HB2 ARG A 9 7.567 -11.295 3.510 1.00 0.41 H new ATOM 0 HB3 ARG A 9 7.646 -9.730 4.296 1.00 0.41 H new ATOM 0 HG2 ARG A 9 5.692 -10.104 5.422 1.00 0.78 H new ATOM 0 HG3 ARG A 9 4.852 -10.548 3.949 1.00 0.78 H new ATOM 0 HD2 ARG A 9 5.093 -12.790 4.365 1.00 1.27 H new ATOM 0 HD3 ARG A 9 6.796 -12.619 4.738 1.00 1.27 H new ATOM 0 HE ARG A 9 5.013 -11.578 6.884 1.00 1.53 H new ATOM 0 HH11 ARG A 9 6.695 -14.298 5.454 1.00 2.69 H new ATOM 0 HH12 ARG A 9 6.761 -15.208 6.967 1.00 2.69 H new ATOM 0 HH21 ARG A 9 5.100 -12.748 8.811 1.00 2.64 H new ATOM 0 HH22 ARG A 9 5.867 -14.339 8.848 1.00 2.64 H new ATOM 105 N ALA A 10 5.704 -7.500 2.871 1.00 0.41 N ATOM 106 CA ALA A 10 5.811 -6.023 3.013 1.00 0.44 C ATOM 107 C ALA A 10 6.615 -5.678 4.267 1.00 0.41 C ATOM 108 O ALA A 10 6.151 -5.838 5.377 1.00 0.74 O ATOM 109 CB ALA A 10 4.410 -5.423 3.131 1.00 0.59 C ATOM 0 H ALA A 10 4.776 -7.886 3.042 1.00 0.41 H new ATOM 0 HA ALA A 10 6.316 -5.614 2.138 1.00 0.44 H new ATOM 0 HB1 ALA A 10 4.485 -4.341 3.235 1.00 0.59 H new ATOM 0 HB2 ALA A 10 3.835 -5.662 2.236 1.00 0.59 H new ATOM 0 HB3 ALA A 10 3.909 -5.838 4.006 1.00 0.59 H new ATOM 115 N LEU A 11 7.821 -5.209 4.101 1.00 0.43 N ATOM 116 CA LEU A 11 8.646 -4.855 5.288 1.00 0.47 C ATOM 117 C LEU A 11 8.271 -3.448 5.742 1.00 0.45 C ATOM 118 O LEU A 11 8.373 -3.108 6.904 1.00 0.60 O ATOM 119 CB LEU A 11 10.130 -4.881 4.915 1.00 0.57 C ATOM 120 CG LEU A 11 10.733 -6.235 5.280 1.00 0.60 C ATOM 121 CD1 LEU A 11 12.246 -6.195 5.059 1.00 0.91 C ATOM 122 CD2 LEU A 11 10.442 -6.551 6.749 1.00 1.12 C ATOM 0 H LEU A 11 8.269 -5.056 3.197 1.00 0.43 H new ATOM 0 HA LEU A 11 8.464 -5.573 6.088 1.00 0.47 H new ATOM 0 HB2 LEU A 11 10.249 -4.696 3.847 1.00 0.57 H new ATOM 0 HB3 LEU A 11 10.659 -4.084 5.438 1.00 0.57 H new ATOM 0 HG LEU A 11 10.291 -7.007 4.650 1.00 0.60 H new ATOM 0 HD11 LEU A 11 12.677 -7.162 5.319 1.00 0.91 H new ATOM 0 HD12 LEU A 11 12.455 -5.974 4.012 1.00 0.91 H new ATOM 0 HD13 LEU A 11 12.685 -5.420 5.688 1.00 0.91 H new ATOM 0 HD21 LEU A 11 10.874 -7.518 7.006 1.00 1.12 H new ATOM 0 HD22 LEU A 11 10.880 -5.779 7.381 1.00 1.12 H new ATOM 0 HD23 LEU A 11 9.364 -6.581 6.908 1.00 1.12 H new ATOM 134 N TYR A 12 7.834 -2.627 4.828 1.00 0.38 N ATOM 135 CA TYR A 12 7.450 -1.240 5.200 1.00 0.39 C ATOM 136 C TYR A 12 6.077 -0.914 4.608 1.00 0.39 C ATOM 137 O TYR A 12 5.526 -1.677 3.840 1.00 0.53 O ATOM 138 CB TYR A 12 8.501 -0.271 4.667 1.00 0.44 C ATOM 139 CG TYR A 12 9.825 -0.566 5.369 1.00 0.46 C ATOM 140 CD1 TYR A 12 10.465 -1.770 5.170 1.00 0.50 C ATOM 141 CD2 TYR A 12 10.387 0.358 6.221 1.00 0.81 C ATOM 142 CE1 TYR A 12 11.654 -2.046 5.811 1.00 0.55 C ATOM 143 CE2 TYR A 12 11.577 0.084 6.864 1.00 1.03 C ATOM 144 CZ TYR A 12 12.221 -1.121 6.665 1.00 0.82 C ATOM 145 OH TYR A 12 13.409 -1.398 7.310 1.00 1.05 O ATOM 0 H TYR A 12 7.727 -2.858 3.840 1.00 0.38 H new ATOM 0 HA TYR A 12 7.395 -1.147 6.285 1.00 0.39 H new ATOM 0 HB2 TYR A 12 8.610 -0.384 3.588 1.00 0.44 H new ATOM 0 HB3 TYR A 12 8.195 0.759 4.850 1.00 0.44 H new ATOM 0 HD1 TYR A 12 10.032 -2.504 4.506 1.00 0.50 H new ATOM 0 HD2 TYR A 12 9.893 1.304 6.387 1.00 0.81 H new ATOM 0 HE1 TYR A 12 12.146 -2.993 5.644 1.00 0.55 H new ATOM 0 HE2 TYR A 12 12.008 0.818 7.528 1.00 1.03 H new ATOM 0 HH TYR A 12 13.662 -0.635 7.871 1.00 1.05 H new ATOM 155 N ASP A 13 5.519 0.213 4.955 1.00 0.44 N ATOM 156 CA ASP A 13 4.181 0.579 4.409 1.00 0.46 C ATOM 157 C ASP A 13 4.321 1.726 3.404 1.00 0.47 C ATOM 158 O ASP A 13 4.925 2.742 3.684 1.00 0.80 O ATOM 159 CB ASP A 13 3.271 1.023 5.555 1.00 0.58 C ATOM 160 CG ASP A 13 3.749 2.375 6.090 1.00 1.03 C ATOM 161 OD1 ASP A 13 4.947 2.605 6.075 1.00 1.22 O ATOM 162 OD2 ASP A 13 2.909 3.156 6.504 1.00 1.65 O ATOM 0 H ASP A 13 5.930 0.895 5.592 1.00 0.44 H new ATOM 0 HA ASP A 13 3.751 -0.288 3.907 1.00 0.46 H new ATOM 0 HB2 ASP A 13 2.241 1.101 5.207 1.00 0.58 H new ATOM 0 HB3 ASP A 13 3.283 0.280 6.352 1.00 0.58 H new ATOM 167 N TYR A 14 3.765 1.568 2.234 1.00 0.55 N ATOM 168 CA TYR A 14 3.857 2.641 1.206 1.00 0.56 C ATOM 169 C TYR A 14 2.448 3.134 0.871 1.00 0.60 C ATOM 170 O TYR A 14 1.485 2.403 0.982 1.00 0.79 O ATOM 171 CB TYR A 14 4.511 2.073 -0.056 1.00 0.66 C ATOM 172 CG TYR A 14 4.683 3.182 -1.096 1.00 0.48 C ATOM 173 CD1 TYR A 14 5.424 4.309 -0.805 1.00 1.28 C ATOM 174 CD2 TYR A 14 4.109 3.064 -2.345 1.00 1.25 C ATOM 175 CE1 TYR A 14 5.589 5.301 -1.749 1.00 1.26 C ATOM 176 CE2 TYR A 14 4.273 4.055 -3.288 1.00 1.26 C ATOM 177 CZ TYR A 14 5.014 5.182 -2.999 1.00 0.46 C ATOM 178 OH TYR A 14 5.180 6.174 -3.943 1.00 0.60 O ATOM 0 H TYR A 14 3.249 0.737 1.945 1.00 0.55 H new ATOM 0 HA TYR A 14 4.455 3.469 1.586 1.00 0.56 H new ATOM 0 HB2 TYR A 14 5.480 1.639 0.190 1.00 0.66 H new ATOM 0 HB3 TYR A 14 3.897 1.271 -0.465 1.00 0.66 H new ATOM 0 HD1 TYR A 14 5.878 4.415 0.169 1.00 1.28 H new ATOM 0 HD2 TYR A 14 3.526 2.187 -2.586 1.00 1.25 H new ATOM 0 HE1 TYR A 14 6.172 6.178 -1.509 1.00 1.26 H new ATOM 0 HE2 TYR A 14 3.818 3.949 -4.262 1.00 1.26 H new ATOM 0 HH TYR A 14 4.521 6.058 -4.659 1.00 0.60 H new ATOM 188 N LYS A 15 2.313 4.367 0.470 1.00 0.65 N ATOM 189 CA LYS A 15 0.960 4.890 0.132 1.00 0.72 C ATOM 190 C LYS A 15 0.818 4.971 -1.388 1.00 0.76 C ATOM 191 O LYS A 15 1.645 5.544 -2.067 1.00 1.54 O ATOM 192 CB LYS A 15 0.775 6.281 0.743 1.00 0.86 C ATOM 193 CG LYS A 15 -0.198 6.192 1.920 1.00 1.45 C ATOM 194 CD LYS A 15 -0.579 7.602 2.374 1.00 1.86 C ATOM 195 CE LYS A 15 -2.004 7.918 1.914 1.00 2.79 C ATOM 196 NZ LYS A 15 -2.974 7.155 2.748 1.00 3.40 N ATOM 0 H LYS A 15 3.078 5.033 0.362 1.00 0.65 H new ATOM 0 HA LYS A 15 0.199 4.221 0.535 1.00 0.72 H new ATOM 0 HB2 LYS A 15 1.735 6.674 1.079 1.00 0.86 H new ATOM 0 HB3 LYS A 15 0.393 6.973 -0.008 1.00 0.86 H new ATOM 0 HG2 LYS A 15 -1.090 5.639 1.627 1.00 1.45 H new ATOM 0 HG3 LYS A 15 0.260 5.644 2.744 1.00 1.45 H new ATOM 0 HD2 LYS A 15 -0.511 7.677 3.459 1.00 1.86 H new ATOM 0 HD3 LYS A 15 0.118 8.330 1.959 1.00 1.86 H new ATOM 0 HE2 LYS A 15 -2.197 8.987 1.999 1.00 2.79 H new ATOM 0 HE3 LYS A 15 -2.125 7.655 0.863 1.00 2.79 H new ATOM 0 HZ1 LYS A 15 -3.908 7.610 2.698 1.00 3.40 H new ATOM 0 HZ2 LYS A 15 -3.044 6.180 2.394 1.00 3.40 H new ATOM 0 HZ3 LYS A 15 -2.648 7.142 3.735 1.00 3.40 H new ATOM 210 N LYS A 16 -0.225 4.399 -1.925 1.00 0.71 N ATOM 211 CA LYS A 16 -0.424 4.441 -3.401 1.00 0.72 C ATOM 212 C LYS A 16 -0.382 5.890 -3.891 1.00 0.72 C ATOM 213 O LYS A 16 -1.395 6.555 -3.977 1.00 0.87 O ATOM 214 CB LYS A 16 -1.782 3.827 -3.749 1.00 0.90 C ATOM 215 CG LYS A 16 -2.004 3.906 -5.260 1.00 1.08 C ATOM 216 CD LYS A 16 -3.362 3.295 -5.609 1.00 1.40 C ATOM 217 CE LYS A 16 -4.188 4.311 -6.401 1.00 1.78 C ATOM 218 NZ LYS A 16 -5.630 3.944 -6.330 1.00 2.35 N ATOM 0 H LYS A 16 -0.949 3.904 -1.404 1.00 0.71 H new ATOM 0 HA LYS A 16 0.371 3.874 -3.886 1.00 0.72 H new ATOM 0 HB2 LYS A 16 -1.819 2.789 -3.419 1.00 0.90 H new ATOM 0 HB3 LYS A 16 -2.578 4.357 -3.225 1.00 0.90 H new ATOM 0 HG2 LYS A 16 -1.965 4.944 -5.590 1.00 1.08 H new ATOM 0 HG3 LYS A 16 -1.209 3.375 -5.783 1.00 1.08 H new ATOM 0 HD2 LYS A 16 -3.224 2.386 -6.195 1.00 1.40 H new ATOM 0 HD3 LYS A 16 -3.890 3.011 -4.699 1.00 1.40 H new ATOM 0 HE2 LYS A 16 -4.037 5.312 -5.997 1.00 1.78 H new ATOM 0 HE3 LYS A 16 -3.858 4.333 -7.440 1.00 1.78 H new ATOM 0 HZ1 LYS A 16 -6.191 4.635 -6.868 1.00 2.35 H new ATOM 0 HZ2 LYS A 16 -5.767 2.996 -6.735 1.00 2.35 H new ATOM 0 HZ3 LYS A 16 -5.940 3.945 -5.337 1.00 2.35 H new ATOM 232 N GLU A 17 0.782 6.385 -4.213 1.00 0.71 N ATOM 233 CA GLU A 17 0.885 7.789 -4.697 1.00 0.81 C ATOM 234 C GLU A 17 0.736 7.797 -6.218 1.00 0.84 C ATOM 235 O GLU A 17 -0.297 8.154 -6.750 1.00 1.05 O ATOM 236 CB GLU A 17 2.248 8.365 -4.311 1.00 1.01 C ATOM 237 CG GLU A 17 2.049 9.623 -3.464 1.00 1.41 C ATOM 238 CD GLU A 17 3.244 10.558 -3.654 1.00 1.97 C ATOM 239 OE1 GLU A 17 4.276 10.084 -4.098 1.00 2.56 O ATOM 240 OE2 GLU A 17 3.106 11.732 -3.353 1.00 2.56 O ATOM 0 H GLU A 17 1.665 5.877 -4.162 1.00 0.71 H new ATOM 0 HA GLU A 17 0.101 8.396 -4.245 1.00 0.81 H new ATOM 0 HB2 GLU A 17 2.822 7.625 -3.753 1.00 1.01 H new ATOM 0 HB3 GLU A 17 2.821 8.604 -5.207 1.00 1.01 H new ATOM 0 HG2 GLU A 17 1.128 10.128 -3.755 1.00 1.41 H new ATOM 0 HG3 GLU A 17 1.947 9.354 -2.413 1.00 1.41 H new ATOM 247 N ARG A 18 1.762 7.409 -6.923 1.00 0.88 N ATOM 248 CA ARG A 18 1.679 7.392 -8.409 1.00 1.09 C ATOM 249 C ARG A 18 0.595 6.399 -8.832 1.00 0.88 C ATOM 250 O ARG A 18 0.393 5.381 -8.201 1.00 0.63 O ATOM 251 CB ARG A 18 3.026 6.961 -8.992 1.00 1.34 C ATOM 252 CG ARG A 18 3.742 8.179 -9.579 1.00 1.97 C ATOM 253 CD ARG A 18 4.209 7.863 -11.002 1.00 2.49 C ATOM 254 NE ARG A 18 5.556 8.462 -11.226 1.00 3.00 N ATOM 255 CZ ARG A 18 5.698 9.760 -11.265 1.00 3.58 C ATOM 256 NH1 ARG A 18 4.662 10.539 -11.112 1.00 3.77 N ATOM 257 NH2 ARG A 18 6.880 10.279 -11.458 1.00 4.42 N ATOM 0 H ARG A 18 2.654 7.103 -6.534 1.00 0.88 H new ATOM 0 HA ARG A 18 1.432 8.388 -8.778 1.00 1.09 H new ATOM 0 HB2 ARG A 18 3.640 6.504 -8.216 1.00 1.34 H new ATOM 0 HB3 ARG A 18 2.875 6.207 -9.765 1.00 1.34 H new ATOM 0 HG2 ARG A 18 3.072 9.038 -9.588 1.00 1.97 H new ATOM 0 HG3 ARG A 18 4.596 8.447 -8.956 1.00 1.97 H new ATOM 0 HD2 ARG A 18 4.249 6.784 -11.152 1.00 2.49 H new ATOM 0 HD3 ARG A 18 3.498 8.259 -11.726 1.00 2.49 H new ATOM 0 HE ARG A 18 6.368 7.857 -11.349 1.00 3.00 H new ATOM 0 HH11 ARG A 18 3.738 10.135 -10.961 1.00 3.77 H new ATOM 0 HH12 ARG A 18 4.777 11.552 -11.143 1.00 3.77 H new ATOM 0 HH21 ARG A 18 7.690 9.671 -11.578 1.00 4.42 H new ATOM 0 HH22 ARG A 18 6.993 11.292 -11.489 1.00 4.42 H new ATOM 271 N GLU A 19 -0.104 6.681 -9.895 1.00 1.20 N ATOM 272 CA GLU A 19 -1.170 5.754 -10.354 1.00 1.28 C ATOM 273 C GLU A 19 -0.571 4.389 -10.711 1.00 0.89 C ATOM 274 O GLU A 19 -1.285 3.433 -10.937 1.00 1.15 O ATOM 275 CB GLU A 19 -1.861 6.344 -11.585 1.00 1.74 C ATOM 276 CG GLU A 19 -3.306 5.846 -11.645 1.00 2.62 C ATOM 277 CD GLU A 19 -3.974 6.366 -12.919 1.00 3.24 C ATOM 278 OE1 GLU A 19 -3.321 6.367 -13.949 1.00 3.56 O ATOM 279 OE2 GLU A 19 -5.128 6.754 -12.843 1.00 3.85 O ATOM 0 H GLU A 19 0.019 7.517 -10.466 1.00 1.20 H new ATOM 0 HA GLU A 19 -1.895 5.623 -9.550 1.00 1.28 H new ATOM 0 HB2 GLU A 19 -1.842 7.433 -11.539 1.00 1.74 H new ATOM 0 HB3 GLU A 19 -1.327 6.053 -12.490 1.00 1.74 H new ATOM 0 HG2 GLU A 19 -3.327 4.756 -11.630 1.00 2.62 H new ATOM 0 HG3 GLU A 19 -3.856 6.188 -10.768 1.00 2.62 H new ATOM 286 N GLU A 20 0.730 4.285 -10.764 1.00 0.64 N ATOM 287 CA GLU A 20 1.354 2.975 -11.108 1.00 0.57 C ATOM 288 C GLU A 20 1.691 2.193 -9.833 1.00 0.51 C ATOM 289 O GLU A 20 1.674 0.979 -9.822 1.00 0.76 O ATOM 290 CB GLU A 20 2.637 3.217 -11.906 1.00 0.85 C ATOM 291 CG GLU A 20 2.627 2.343 -13.162 1.00 1.58 C ATOM 292 CD GLU A 20 3.331 3.080 -14.303 1.00 2.25 C ATOM 293 OE1 GLU A 20 3.773 4.195 -14.078 1.00 2.89 O ATOM 294 OE2 GLU A 20 3.418 2.517 -15.381 1.00 2.80 O ATOM 0 H GLU A 20 1.385 5.046 -10.585 1.00 0.64 H new ATOM 0 HA GLU A 20 0.649 2.395 -11.704 1.00 0.57 H new ATOM 0 HB2 GLU A 20 2.714 4.269 -12.182 1.00 0.85 H new ATOM 0 HB3 GLU A 20 3.508 2.984 -11.294 1.00 0.85 H new ATOM 0 HG2 GLU A 20 3.128 1.396 -12.963 1.00 1.58 H new ATOM 0 HG3 GLU A 20 1.601 2.107 -13.446 1.00 1.58 H new ATOM 301 N ASP A 21 1.993 2.870 -8.759 1.00 0.43 N ATOM 302 CA ASP A 21 2.328 2.144 -7.499 1.00 0.36 C ATOM 303 C ASP A 21 1.043 1.703 -6.790 1.00 0.36 C ATOM 304 O ASP A 21 -0.045 2.118 -7.138 1.00 0.48 O ATOM 305 CB ASP A 21 3.144 3.056 -6.577 1.00 0.40 C ATOM 306 CG ASP A 21 2.306 4.267 -6.159 1.00 0.71 C ATOM 307 OD1 ASP A 21 1.098 4.215 -6.316 1.00 1.37 O ATOM 308 OD2 ASP A 21 2.890 5.228 -5.686 1.00 1.45 O ATOM 0 H ASP A 21 2.023 3.888 -8.698 1.00 0.43 H new ATOM 0 HA ASP A 21 2.918 1.261 -7.744 1.00 0.36 H new ATOM 0 HB2 ASP A 21 3.463 2.502 -5.694 1.00 0.40 H new ATOM 0 HB3 ASP A 21 4.048 3.388 -7.088 1.00 0.40 H new ATOM 313 N ILE A 22 1.163 0.861 -5.797 1.00 0.35 N ATOM 314 CA ILE A 22 -0.048 0.388 -5.062 1.00 0.41 C ATOM 315 C ILE A 22 0.100 0.704 -3.571 1.00 0.37 C ATOM 316 O ILE A 22 0.998 1.411 -3.161 1.00 0.46 O ATOM 317 CB ILE A 22 -0.218 -1.126 -5.251 1.00 0.50 C ATOM 318 CG1 ILE A 22 1.126 -1.762 -5.621 1.00 0.65 C ATOM 319 CG2 ILE A 22 -1.227 -1.385 -6.373 1.00 0.69 C ATOM 320 CD1 ILE A 22 1.083 -3.264 -5.328 1.00 1.20 C ATOM 0 H ILE A 22 2.048 0.480 -5.463 1.00 0.35 H new ATOM 0 HA ILE A 22 -0.926 0.898 -5.457 1.00 0.41 H new ATOM 0 HB ILE A 22 -0.577 -1.565 -4.321 1.00 0.50 H new ATOM 0 HG12 ILE A 22 1.341 -1.593 -6.676 1.00 0.65 H new ATOM 0 HG13 ILE A 22 1.930 -1.294 -5.053 1.00 0.65 H new ATOM 0 HG21 ILE A 22 -1.351 -2.459 -6.510 1.00 0.69 H new ATOM 0 HG22 ILE A 22 -2.187 -0.940 -6.109 1.00 0.69 H new ATOM 0 HG23 ILE A 22 -0.863 -0.940 -7.299 1.00 0.69 H new ATOM 0 HD11 ILE A 22 2.040 -3.714 -5.592 1.00 1.20 H new ATOM 0 HD12 ILE A 22 0.888 -3.422 -4.267 1.00 1.20 H new ATOM 0 HD13 ILE A 22 0.290 -3.727 -5.916 1.00 1.20 H new ATOM 332 N ASP A 23 -0.777 0.182 -2.757 1.00 0.41 N ATOM 333 CA ASP A 23 -0.693 0.449 -1.292 1.00 0.41 C ATOM 334 C ASP A 23 0.034 -0.703 -0.594 1.00 0.42 C ATOM 335 O ASP A 23 -0.385 -1.841 -0.654 1.00 0.76 O ATOM 336 CB ASP A 23 -2.106 0.577 -0.722 1.00 0.50 C ATOM 337 CG ASP A 23 -2.918 1.535 -1.595 1.00 0.67 C ATOM 338 OD1 ASP A 23 -3.104 1.228 -2.761 1.00 0.87 O ATOM 339 OD2 ASP A 23 -3.337 2.561 -1.084 1.00 0.88 O ATOM 0 H ASP A 23 -1.550 -0.419 -3.044 1.00 0.41 H new ATOM 0 HA ASP A 23 -0.141 1.374 -1.125 1.00 0.41 H new ATOM 0 HB2 ASP A 23 -2.587 -0.400 -0.690 1.00 0.50 H new ATOM 0 HB3 ASP A 23 -2.065 0.946 0.303 1.00 0.50 H new ATOM 344 N LEU A 24 1.121 -0.414 0.070 1.00 0.50 N ATOM 345 CA LEU A 24 1.878 -1.489 0.773 1.00 0.49 C ATOM 346 C LEU A 24 1.741 -1.306 2.287 1.00 0.44 C ATOM 347 O LEU A 24 1.601 -0.204 2.778 1.00 0.51 O ATOM 348 CB LEU A 24 3.360 -1.402 0.393 1.00 0.64 C ATOM 349 CG LEU A 24 3.614 -2.088 -0.956 1.00 0.85 C ATOM 350 CD1 LEU A 24 3.788 -3.590 -0.732 1.00 1.41 C ATOM 351 CD2 LEU A 24 2.440 -1.842 -1.911 1.00 1.74 C ATOM 0 H LEU A 24 1.518 0.522 0.156 1.00 0.50 H new ATOM 0 HA LEU A 24 1.478 -2.460 0.482 1.00 0.49 H new ATOM 0 HB2 LEU A 24 3.666 -0.357 0.339 1.00 0.64 H new ATOM 0 HB3 LEU A 24 3.967 -1.873 1.166 1.00 0.64 H new ATOM 0 HG LEU A 24 4.518 -1.673 -1.401 1.00 0.85 H new ATOM 0 HD11 LEU A 24 3.969 -4.082 -1.688 1.00 1.41 H new ATOM 0 HD12 LEU A 24 4.635 -3.763 -0.069 1.00 1.41 H new ATOM 0 HD13 LEU A 24 2.884 -3.998 -0.279 1.00 1.41 H new ATOM 0 HD21 LEU A 24 2.636 -2.335 -2.863 1.00 1.74 H new ATOM 0 HD22 LEU A 24 1.526 -2.245 -1.475 1.00 1.74 H new ATOM 0 HD23 LEU A 24 2.322 -0.771 -2.075 1.00 1.74 H new ATOM 363 N HIS A 25 1.779 -2.377 3.031 1.00 0.38 N ATOM 364 CA HIS A 25 1.653 -2.263 4.514 1.00 0.38 C ATOM 365 C HIS A 25 2.377 -3.440 5.172 1.00 0.34 C ATOM 366 O HIS A 25 2.233 -4.575 4.764 1.00 0.34 O ATOM 367 CB HIS A 25 0.179 -2.291 4.925 1.00 0.45 C ATOM 368 CG HIS A 25 -0.695 -1.734 3.800 1.00 0.51 C ATOM 369 ND1 HIS A 25 -1.446 -2.427 3.050 1.00 0.48 N ATOM 370 CD2 HIS A 25 -0.871 -0.431 3.374 1.00 0.98 C ATOM 371 CE1 HIS A 25 -2.060 -1.680 2.212 1.00 0.49 C ATOM 372 NE2 HIS A 25 -1.746 -0.403 2.357 1.00 0.91 N ATOM 0 H HIS A 25 1.892 -3.327 2.677 1.00 0.38 H new ATOM 0 HA HIS A 25 2.096 -1.320 4.836 1.00 0.38 H new ATOM 0 HB2 HIS A 25 -0.122 -3.313 5.157 1.00 0.45 H new ATOM 0 HB3 HIS A 25 0.036 -1.703 5.832 1.00 0.45 H new ATOM 0 HD1 HIS A 25 -1.547 -3.440 3.107 1.00 0.48 H new ATOM 0 HD2 HIS A 25 -0.379 0.433 3.796 1.00 0.98 H new ATOM 0 HE1 HIS A 25 -2.754 -2.049 1.472 1.00 0.49 H new ATOM 380 N LEU A 26 3.155 -3.180 6.187 1.00 0.38 N ATOM 381 CA LEU A 26 3.885 -4.283 6.868 1.00 0.37 C ATOM 382 C LEU A 26 2.931 -5.456 7.114 1.00 0.35 C ATOM 383 O LEU A 26 1.863 -5.294 7.671 1.00 0.43 O ATOM 384 CB LEU A 26 4.438 -3.776 8.202 1.00 0.47 C ATOM 385 CG LEU A 26 5.055 -4.942 8.980 1.00 0.49 C ATOM 386 CD1 LEU A 26 6.580 -4.849 8.912 1.00 0.79 C ATOM 387 CD2 LEU A 26 4.606 -4.872 10.441 1.00 0.73 C ATOM 0 H LEU A 26 3.316 -2.250 6.573 1.00 0.38 H new ATOM 0 HA LEU A 26 4.709 -4.619 6.239 1.00 0.37 H new ATOM 0 HB2 LEU A 26 5.189 -3.005 8.026 1.00 0.47 H new ATOM 0 HB3 LEU A 26 3.641 -3.317 8.787 1.00 0.47 H new ATOM 0 HG LEU A 26 4.728 -5.885 8.543 1.00 0.49 H new ATOM 0 HD11 LEU A 26 7.020 -5.678 9.465 1.00 0.79 H new ATOM 0 HD12 LEU A 26 6.901 -4.896 7.872 1.00 0.79 H new ATOM 0 HD13 LEU A 26 6.907 -3.906 9.351 1.00 0.79 H new ATOM 0 HD21 LEU A 26 5.044 -5.701 10.996 1.00 0.73 H new ATOM 0 HD22 LEU A 26 4.934 -3.929 10.878 1.00 0.73 H new ATOM 0 HD23 LEU A 26 3.519 -4.936 10.491 1.00 0.73 H new ATOM 399 N GLY A 27 3.309 -6.637 6.705 1.00 0.36 N ATOM 400 CA GLY A 27 2.425 -7.820 6.915 1.00 0.41 C ATOM 401 C GLY A 27 1.642 -8.111 5.631 1.00 0.41 C ATOM 402 O GLY A 27 0.775 -8.961 5.600 1.00 0.52 O ATOM 0 H GLY A 27 4.192 -6.834 6.234 1.00 0.36 H new ATOM 0 HA2 GLY A 27 3.022 -8.688 7.193 1.00 0.41 H new ATOM 0 HA3 GLY A 27 1.736 -7.630 7.738 1.00 0.41 H new ATOM 406 N ASP A 28 1.943 -7.411 4.571 1.00 0.41 N ATOM 407 CA ASP A 28 1.220 -7.643 3.288 1.00 0.44 C ATOM 408 C ASP A 28 1.957 -8.709 2.472 1.00 0.44 C ATOM 409 O ASP A 28 3.100 -9.023 2.733 1.00 0.73 O ATOM 410 CB ASP A 28 1.178 -6.336 2.491 1.00 0.50 C ATOM 411 CG ASP A 28 -0.103 -6.282 1.657 1.00 1.32 C ATOM 412 OD1 ASP A 28 -0.234 -7.091 0.754 1.00 2.13 O ATOM 413 OD2 ASP A 28 -0.931 -5.430 1.936 1.00 2.03 O ATOM 0 H ASP A 28 2.660 -6.687 4.538 1.00 0.41 H new ATOM 0 HA ASP A 28 0.205 -7.981 3.496 1.00 0.44 H new ATOM 0 HB2 ASP A 28 1.218 -5.484 3.169 1.00 0.50 H new ATOM 0 HB3 ASP A 28 2.050 -6.267 1.841 1.00 0.50 H new ATOM 418 N ILE A 29 1.309 -9.277 1.492 1.00 0.35 N ATOM 419 CA ILE A 29 1.976 -10.320 0.662 1.00 0.38 C ATOM 420 C ILE A 29 2.046 -9.824 -0.782 1.00 0.31 C ATOM 421 O ILE A 29 1.044 -9.487 -1.377 1.00 0.35 O ATOM 422 CB ILE A 29 1.176 -11.623 0.719 1.00 0.49 C ATOM 423 CG1 ILE A 29 0.853 -11.965 2.175 1.00 0.81 C ATOM 424 CG2 ILE A 29 2.005 -12.753 0.104 1.00 0.58 C ATOM 425 CD1 ILE A 29 2.152 -12.046 2.979 1.00 0.89 C ATOM 0 H ILE A 29 0.346 -9.064 1.230 1.00 0.35 H new ATOM 0 HA ILE A 29 2.980 -10.508 1.043 1.00 0.38 H new ATOM 0 HB ILE A 29 0.247 -11.503 0.161 1.00 0.49 H new ATOM 0 HG12 ILE A 29 0.196 -11.207 2.601 1.00 0.81 H new ATOM 0 HG13 ILE A 29 0.320 -12.915 2.227 1.00 0.81 H new ATOM 0 HG21 ILE A 29 1.438 -13.683 0.143 1.00 0.58 H new ATOM 0 HG22 ILE A 29 2.236 -12.512 -0.934 1.00 0.58 H new ATOM 0 HG23 ILE A 29 2.933 -12.870 0.664 1.00 0.58 H new ATOM 0 HD11 ILE A 29 1.923 -12.290 4.016 1.00 0.89 H new ATOM 0 HD12 ILE A 29 2.793 -12.820 2.557 1.00 0.89 H new ATOM 0 HD13 ILE A 29 2.667 -11.086 2.937 1.00 0.89 H new ATOM 437 N LEU A 30 3.216 -9.784 -1.357 1.00 0.30 N ATOM 438 CA LEU A 30 3.328 -9.305 -2.760 1.00 0.31 C ATOM 439 C LEU A 30 3.653 -10.476 -3.676 1.00 0.33 C ATOM 440 O LEU A 30 4.704 -11.080 -3.588 1.00 0.52 O ATOM 441 CB LEU A 30 4.435 -8.257 -2.865 1.00 0.42 C ATOM 442 CG LEU A 30 3.944 -6.952 -2.245 1.00 0.47 C ATOM 443 CD1 LEU A 30 3.637 -7.184 -0.776 1.00 0.86 C ATOM 444 CD2 LEU A 30 5.028 -5.888 -2.357 1.00 0.89 C ATOM 0 H LEU A 30 4.094 -10.061 -0.918 1.00 0.30 H new ATOM 0 HA LEU A 30 2.380 -8.859 -3.060 1.00 0.31 H new ATOM 0 HB2 LEU A 30 5.332 -8.604 -2.351 1.00 0.42 H new ATOM 0 HB3 LEU A 30 4.706 -8.099 -3.909 1.00 0.42 H new ATOM 0 HG LEU A 30 3.049 -6.619 -2.770 1.00 0.47 H new ATOM 0 HD11 LEU A 30 3.286 -6.255 -0.327 1.00 0.86 H new ATOM 0 HD12 LEU A 30 2.865 -7.948 -0.682 1.00 0.86 H new ATOM 0 HD13 LEU A 30 4.540 -7.516 -0.264 1.00 0.86 H new ATOM 0 HD21 LEU A 30 4.672 -4.958 -1.913 1.00 0.89 H new ATOM 0 HD22 LEU A 30 5.922 -6.223 -1.831 1.00 0.89 H new ATOM 0 HD23 LEU A 30 5.266 -5.721 -3.407 1.00 0.89 H new ATOM 456 N THR A 31 2.753 -10.802 -4.552 1.00 0.27 N ATOM 457 CA THR A 31 2.998 -11.931 -5.479 1.00 0.30 C ATOM 458 C THR A 31 3.577 -11.383 -6.782 1.00 0.31 C ATOM 459 O THR A 31 2.852 -11.014 -7.684 1.00 0.32 O ATOM 460 CB THR A 31 1.674 -12.647 -5.749 1.00 0.33 C ATOM 461 OG1 THR A 31 0.650 -12.050 -4.965 1.00 0.34 O ATOM 462 CG2 THR A 31 1.811 -14.120 -5.368 1.00 0.40 C ATOM 0 H THR A 31 1.854 -10.333 -4.666 1.00 0.27 H new ATOM 0 HA THR A 31 3.704 -12.637 -5.042 1.00 0.30 H new ATOM 0 HB THR A 31 1.420 -12.565 -6.806 1.00 0.33 H new ATOM 0 HG1 THR A 31 -0.160 -12.599 -5.012 1.00 0.34 H new ATOM 0 HG21 THR A 31 0.869 -14.634 -5.559 1.00 0.40 H new ATOM 0 HG22 THR A 31 2.601 -14.578 -5.963 1.00 0.40 H new ATOM 0 HG23 THR A 31 2.060 -14.200 -4.310 1.00 0.40 H new ATOM 470 N VAL A 32 4.880 -11.317 -6.888 1.00 0.35 N ATOM 471 CA VAL A 32 5.489 -10.789 -8.140 1.00 0.39 C ATOM 472 C VAL A 32 5.953 -11.950 -9.018 1.00 0.47 C ATOM 473 O VAL A 32 6.871 -12.671 -8.681 1.00 0.54 O ATOM 474 CB VAL A 32 6.679 -9.900 -7.787 1.00 0.41 C ATOM 475 CG1 VAL A 32 7.339 -9.396 -9.071 1.00 0.50 C ATOM 476 CG2 VAL A 32 6.186 -8.709 -6.964 1.00 0.49 C ATOM 0 H VAL A 32 5.542 -11.604 -6.167 1.00 0.35 H new ATOM 0 HA VAL A 32 4.749 -10.204 -8.686 1.00 0.39 H new ATOM 0 HB VAL A 32 7.406 -10.471 -7.209 1.00 0.41 H new ATOM 0 HG11 VAL A 32 8.188 -8.761 -8.819 1.00 0.50 H new ATOM 0 HG12 VAL A 32 7.683 -10.246 -9.661 1.00 0.50 H new ATOM 0 HG13 VAL A 32 6.616 -8.821 -9.650 1.00 0.50 H new ATOM 0 HG21 VAL A 32 7.030 -8.069 -6.708 1.00 0.49 H new ATOM 0 HG22 VAL A 32 5.462 -8.139 -7.546 1.00 0.49 H new ATOM 0 HG23 VAL A 32 5.713 -9.069 -6.050 1.00 0.49 H new ATOM 486 N ASN A 33 5.323 -12.135 -10.145 1.00 0.57 N ATOM 487 CA ASN A 33 5.720 -13.247 -11.051 1.00 0.69 C ATOM 488 C ASN A 33 7.225 -13.187 -11.311 1.00 0.69 C ATOM 489 O ASN A 33 7.911 -12.293 -10.855 1.00 0.77 O ATOM 490 CB ASN A 33 4.977 -13.112 -12.380 1.00 0.85 C ATOM 491 CG ASN A 33 3.675 -13.912 -12.321 1.00 1.38 C ATOM 492 OD1 ASN A 33 3.505 -14.758 -11.466 1.00 2.00 O ATOM 493 ND2 ASN A 33 2.741 -13.678 -13.201 1.00 2.08 N ATOM 0 H ASN A 33 4.548 -11.562 -10.478 1.00 0.57 H new ATOM 0 HA ASN A 33 5.468 -14.198 -10.582 1.00 0.69 H new ATOM 0 HB2 ASN A 33 4.763 -12.063 -12.584 1.00 0.85 H new ATOM 0 HB3 ASN A 33 5.602 -13.474 -13.196 1.00 0.85 H new ATOM 0 HD21 ASN A 33 1.868 -14.205 -13.171 1.00 2.08 H new ATOM 0 HD22 ASN A 33 2.883 -12.968 -13.919 1.00 2.08 H new ATOM 500 N LYS A 34 7.744 -14.136 -12.039 1.00 0.82 N ATOM 501 CA LYS A 34 9.201 -14.141 -12.332 1.00 0.91 C ATOM 502 C LYS A 34 9.468 -13.377 -13.633 1.00 0.96 C ATOM 503 O LYS A 34 10.467 -12.699 -13.771 1.00 1.84 O ATOM 504 CB LYS A 34 9.689 -15.584 -12.479 1.00 1.13 C ATOM 505 CG LYS A 34 8.648 -16.410 -13.238 1.00 1.50 C ATOM 506 CD LYS A 34 9.345 -17.555 -13.974 1.00 2.02 C ATOM 507 CE LYS A 34 8.372 -18.724 -14.134 1.00 2.38 C ATOM 508 NZ LYS A 34 8.944 -19.719 -15.083 1.00 2.75 N ATOM 0 H LYS A 34 7.218 -14.910 -12.444 1.00 0.82 H new ATOM 0 HA LYS A 34 9.734 -13.658 -11.513 1.00 0.91 H new ATOM 0 HB2 LYS A 34 10.640 -15.603 -13.011 1.00 1.13 H new ATOM 0 HB3 LYS A 34 9.865 -16.020 -11.496 1.00 1.13 H new ATOM 0 HG2 LYS A 34 7.907 -16.807 -12.544 1.00 1.50 H new ATOM 0 HG3 LYS A 34 8.114 -15.778 -13.948 1.00 1.50 H new ATOM 0 HD2 LYS A 34 9.689 -17.217 -14.952 1.00 2.02 H new ATOM 0 HD3 LYS A 34 10.227 -17.875 -13.419 1.00 2.02 H new ATOM 0 HE2 LYS A 34 8.187 -19.192 -13.167 1.00 2.38 H new ATOM 0 HE3 LYS A 34 7.412 -18.364 -14.503 1.00 2.38 H new ATOM 0 HZ1 LYS A 34 8.283 -20.514 -15.192 1.00 2.75 H new ATOM 0 HZ2 LYS A 34 9.099 -19.268 -16.007 1.00 2.75 H new ATOM 0 HZ3 LYS A 34 9.850 -20.070 -14.713 1.00 2.75 H new ATOM 522 N GLY A 35 8.582 -13.477 -14.587 1.00 0.93 N ATOM 523 CA GLY A 35 8.789 -12.757 -15.876 1.00 0.92 C ATOM 524 C GLY A 35 8.455 -11.275 -15.695 1.00 0.87 C ATOM 525 O GLY A 35 9.244 -10.409 -16.016 1.00 0.90 O ATOM 0 H GLY A 35 7.724 -14.026 -14.529 1.00 0.93 H new ATOM 0 HA2 GLY A 35 9.822 -12.870 -16.205 1.00 0.92 H new ATOM 0 HA3 GLY A 35 8.158 -13.190 -16.652 1.00 0.92 H new ATOM 529 N SER A 36 7.292 -10.974 -15.186 1.00 0.89 N ATOM 530 CA SER A 36 6.914 -9.550 -14.988 1.00 0.98 C ATOM 531 C SER A 36 8.046 -8.820 -14.261 1.00 0.91 C ATOM 532 O SER A 36 8.168 -7.614 -14.332 1.00 1.04 O ATOM 533 CB SER A 36 5.637 -9.470 -14.149 1.00 1.10 C ATOM 534 OG SER A 36 4.669 -8.691 -14.836 1.00 1.85 O ATOM 0 H SER A 36 6.588 -11.654 -14.899 1.00 0.89 H new ATOM 0 HA SER A 36 6.741 -9.083 -15.958 1.00 0.98 H new ATOM 0 HB2 SER A 36 5.248 -10.471 -13.962 1.00 1.10 H new ATOM 0 HB3 SER A 36 5.854 -9.026 -13.178 1.00 1.10 H new ATOM 0 HG SER A 36 3.850 -8.640 -14.300 1.00 1.85 H new ATOM 540 N LEU A 37 8.875 -9.546 -13.563 1.00 0.80 N ATOM 541 CA LEU A 37 9.997 -8.903 -12.832 1.00 0.83 C ATOM 542 C LEU A 37 11.224 -8.833 -13.742 1.00 0.74 C ATOM 543 O LEU A 37 11.924 -7.841 -13.785 1.00 0.82 O ATOM 544 CB LEU A 37 10.332 -9.734 -11.598 1.00 0.93 C ATOM 545 CG LEU A 37 11.268 -8.936 -10.699 1.00 1.04 C ATOM 546 CD1 LEU A 37 10.595 -8.708 -9.348 1.00 1.45 C ATOM 547 CD2 LEU A 37 12.563 -9.715 -10.501 1.00 1.59 C ATOM 0 H LEU A 37 8.821 -10.560 -13.469 1.00 0.80 H new ATOM 0 HA LEU A 37 9.709 -7.896 -12.532 1.00 0.83 H new ATOM 0 HB2 LEU A 37 9.420 -9.990 -11.058 1.00 0.93 H new ATOM 0 HB3 LEU A 37 10.803 -10.672 -11.893 1.00 0.93 H new ATOM 0 HG LEU A 37 11.491 -7.974 -11.161 1.00 1.04 H new ATOM 0 HD11 LEU A 37 11.261 -8.137 -8.701 1.00 1.45 H new ATOM 0 HD12 LEU A 37 9.667 -8.154 -9.492 1.00 1.45 H new ATOM 0 HD13 LEU A 37 10.375 -9.670 -8.884 1.00 1.45 H new ATOM 0 HD21 LEU A 37 13.235 -9.146 -9.858 1.00 1.59 H new ATOM 0 HD22 LEU A 37 12.342 -10.676 -10.036 1.00 1.59 H new ATOM 0 HD23 LEU A 37 13.039 -9.881 -11.467 1.00 1.59 H new ATOM 559 N VAL A 38 11.491 -9.884 -14.467 1.00 0.67 N ATOM 560 CA VAL A 38 12.670 -9.883 -15.376 1.00 0.70 C ATOM 561 C VAL A 38 12.314 -9.162 -16.677 1.00 0.85 C ATOM 562 O VAL A 38 13.111 -9.075 -17.590 1.00 0.99 O ATOM 563 CB VAL A 38 13.069 -11.322 -15.694 1.00 0.76 C ATOM 564 CG1 VAL A 38 14.128 -11.325 -16.799 1.00 0.90 C ATOM 565 CG2 VAL A 38 13.637 -11.988 -14.439 1.00 0.73 C ATOM 0 H VAL A 38 10.943 -10.744 -14.469 1.00 0.67 H new ATOM 0 HA VAL A 38 13.499 -9.370 -14.889 1.00 0.70 H new ATOM 0 HB VAL A 38 12.192 -11.875 -16.029 1.00 0.76 H new ATOM 0 HG11 VAL A 38 14.413 -12.352 -17.027 1.00 0.90 H new ATOM 0 HG12 VAL A 38 13.721 -10.855 -17.694 1.00 0.90 H new ATOM 0 HG13 VAL A 38 15.005 -10.771 -16.464 1.00 0.90 H new ATOM 0 HG21 VAL A 38 13.921 -13.015 -14.669 1.00 0.73 H new ATOM 0 HG22 VAL A 38 14.514 -11.436 -14.100 1.00 0.73 H new ATOM 0 HG23 VAL A 38 12.882 -11.988 -13.653 1.00 0.73 H new ATOM 575 N ALA A 39 11.121 -8.646 -16.770 1.00 0.90 N ATOM 576 CA ALA A 39 10.712 -7.931 -18.010 1.00 1.12 C ATOM 577 C ALA A 39 11.589 -6.689 -18.195 1.00 1.20 C ATOM 578 O ALA A 39 11.553 -6.039 -19.221 1.00 1.39 O ATOM 579 CB ALA A 39 9.246 -7.509 -17.893 1.00 1.31 C ATOM 0 H ALA A 39 10.410 -8.689 -16.040 1.00 0.90 H new ATOM 0 HA ALA A 39 10.833 -8.591 -18.869 1.00 1.12 H new ATOM 0 HB1 ALA A 39 8.945 -6.985 -18.800 1.00 1.31 H new ATOM 0 HB2 ALA A 39 8.622 -8.393 -17.760 1.00 1.31 H new ATOM 0 HB3 ALA A 39 9.125 -6.848 -17.035 1.00 1.31 H new ATOM 585 N LEU A 40 12.377 -6.354 -17.209 1.00 1.12 N ATOM 586 CA LEU A 40 13.254 -5.157 -17.326 1.00 1.30 C ATOM 587 C LEU A 40 14.637 -5.593 -17.805 1.00 1.27 C ATOM 588 O LEU A 40 15.255 -4.952 -18.631 1.00 1.57 O ATOM 589 CB LEU A 40 13.400 -4.469 -15.962 1.00 1.39 C ATOM 590 CG LEU A 40 12.129 -4.653 -15.113 1.00 1.67 C ATOM 591 CD1 LEU A 40 12.545 -4.799 -13.643 1.00 2.32 C ATOM 592 CD2 LEU A 40 11.204 -3.428 -15.291 1.00 2.15 C ATOM 0 H LEU A 40 12.450 -6.860 -16.326 1.00 1.12 H new ATOM 0 HA LEU A 40 12.807 -4.461 -18.036 1.00 1.30 H new ATOM 0 HB2 LEU A 40 14.258 -4.882 -15.432 1.00 1.39 H new ATOM 0 HB3 LEU A 40 13.595 -3.406 -16.106 1.00 1.39 H new ATOM 0 HG LEU A 40 11.586 -5.543 -15.430 1.00 1.67 H new ATOM 0 HD11 LEU A 40 11.657 -4.930 -13.025 1.00 2.32 H new ATOM 0 HD12 LEU A 40 13.195 -5.667 -13.533 1.00 2.32 H new ATOM 0 HD13 LEU A 40 13.079 -3.903 -13.325 1.00 2.32 H new ATOM 0 HD21 LEU A 40 10.305 -3.560 -14.689 1.00 2.15 H new ATOM 0 HD22 LEU A 40 11.727 -2.527 -14.969 1.00 2.15 H new ATOM 0 HD23 LEU A 40 10.927 -3.331 -16.341 1.00 2.15 H new ATOM 604 N GLY A 41 15.119 -6.689 -17.294 1.00 1.20 N ATOM 605 CA GLY A 41 16.463 -7.180 -17.710 1.00 1.26 C ATOM 606 C GLY A 41 17.287 -7.559 -16.474 1.00 1.17 C ATOM 607 O GLY A 41 18.495 -7.669 -16.539 1.00 1.36 O ATOM 0 H GLY A 41 14.640 -7.268 -16.604 1.00 1.20 H new ATOM 0 HA2 GLY A 41 16.357 -8.044 -18.366 1.00 1.26 H new ATOM 0 HA3 GLY A 41 16.981 -6.409 -18.280 1.00 1.26 H new ATOM 611 N PHE A 42 16.651 -7.750 -15.345 1.00 1.04 N ATOM 612 CA PHE A 42 17.411 -8.122 -14.117 1.00 1.02 C ATOM 613 C PHE A 42 18.346 -9.292 -14.427 1.00 0.98 C ATOM 614 O PHE A 42 18.430 -9.762 -15.544 1.00 1.25 O ATOM 615 CB PHE A 42 16.436 -8.565 -13.027 1.00 1.11 C ATOM 616 CG PHE A 42 15.679 -7.362 -12.468 1.00 0.90 C ATOM 617 CD1 PHE A 42 16.339 -6.185 -12.168 1.00 1.44 C ATOM 618 CD2 PHE A 42 14.326 -7.455 -12.215 1.00 1.49 C ATOM 619 CE1 PHE A 42 15.654 -5.123 -11.617 1.00 1.46 C ATOM 620 CE2 PHE A 42 13.644 -6.401 -11.663 1.00 1.52 C ATOM 621 CZ PHE A 42 14.305 -5.230 -11.366 1.00 0.96 C ATOM 0 H PHE A 42 15.642 -7.664 -15.223 1.00 1.04 H new ATOM 0 HA PHE A 42 17.986 -7.259 -13.782 1.00 1.02 H new ATOM 0 HB2 PHE A 42 15.731 -9.289 -13.434 1.00 1.11 H new ATOM 0 HB3 PHE A 42 16.980 -9.065 -12.225 1.00 1.11 H new ATOM 0 HD1 PHE A 42 17.397 -6.097 -12.366 1.00 1.44 H new ATOM 0 HD2 PHE A 42 13.799 -8.367 -12.454 1.00 1.49 H new ATOM 0 HE1 PHE A 42 16.176 -4.207 -11.382 1.00 1.46 H new ATOM 0 HE2 PHE A 42 12.587 -6.489 -11.461 1.00 1.52 H new ATOM 0 HZ PHE A 42 13.766 -4.398 -10.937 1.00 0.96 H new ATOM 631 N SER A 43 19.046 -9.770 -13.436 1.00 0.85 N ATOM 632 CA SER A 43 19.976 -10.910 -13.657 1.00 0.96 C ATOM 633 C SER A 43 19.381 -12.154 -12.997 1.00 1.00 C ATOM 634 O SER A 43 18.472 -12.061 -12.198 1.00 1.12 O ATOM 635 CB SER A 43 21.336 -10.593 -13.030 1.00 1.12 C ATOM 636 OG SER A 43 22.284 -10.343 -14.057 1.00 1.78 O ATOM 0 H SER A 43 19.013 -9.418 -12.479 1.00 0.85 H new ATOM 0 HA SER A 43 20.112 -11.082 -14.725 1.00 0.96 H new ATOM 0 HB2 SER A 43 21.254 -9.724 -12.377 1.00 1.12 H new ATOM 0 HB3 SER A 43 21.666 -11.427 -12.411 1.00 1.12 H new ATOM 0 HG SER A 43 23.154 -10.138 -13.656 1.00 1.78 H new ATOM 642 N ASP A 44 19.874 -13.316 -13.321 1.00 1.25 N ATOM 643 CA ASP A 44 19.318 -14.549 -12.697 1.00 1.44 C ATOM 644 C ASP A 44 19.680 -14.573 -11.211 1.00 1.47 C ATOM 645 O ASP A 44 20.667 -15.158 -10.812 1.00 1.72 O ATOM 646 CB ASP A 44 19.902 -15.782 -13.388 1.00 1.75 C ATOM 647 CG ASP A 44 19.256 -17.042 -12.810 1.00 2.28 C ATOM 648 OD1 ASP A 44 18.171 -16.930 -12.264 1.00 2.72 O ATOM 649 OD2 ASP A 44 19.856 -18.098 -12.922 1.00 2.77 O ATOM 0 H ASP A 44 20.633 -13.466 -13.986 1.00 1.25 H new ATOM 0 HA ASP A 44 18.234 -14.555 -12.807 1.00 1.44 H new ATOM 0 HB2 ASP A 44 19.724 -15.729 -14.462 1.00 1.75 H new ATOM 0 HB3 ASP A 44 20.982 -15.815 -13.245 1.00 1.75 H new ATOM 654 N GLY A 45 18.886 -13.942 -10.386 1.00 1.42 N ATOM 655 CA GLY A 45 19.187 -13.930 -8.927 1.00 1.60 C ATOM 656 C GLY A 45 18.822 -12.565 -8.332 1.00 1.28 C ATOM 657 O GLY A 45 18.648 -12.429 -7.137 1.00 1.33 O ATOM 0 H GLY A 45 18.044 -13.436 -10.660 1.00 1.42 H new ATOM 0 HA2 GLY A 45 18.626 -14.718 -8.424 1.00 1.60 H new ATOM 0 HA3 GLY A 45 20.244 -14.137 -8.763 1.00 1.60 H new ATOM 661 N GLN A 46 18.703 -11.554 -9.151 1.00 1.06 N ATOM 662 CA GLN A 46 18.350 -10.206 -8.620 1.00 0.89 C ATOM 663 C GLN A 46 16.883 -10.200 -8.178 1.00 0.69 C ATOM 664 O GLN A 46 16.518 -9.558 -7.213 1.00 0.73 O ATOM 665 CB GLN A 46 18.573 -9.152 -9.707 1.00 0.90 C ATOM 666 CG GLN A 46 19.751 -8.258 -9.311 1.00 1.28 C ATOM 667 CD GLN A 46 20.109 -7.333 -10.477 1.00 1.79 C ATOM 668 OE1 GLN A 46 19.333 -6.474 -10.846 1.00 2.43 O ATOM 669 NE2 GLN A 46 21.261 -7.473 -11.076 1.00 2.50 N ATOM 0 H GLN A 46 18.835 -11.603 -10.161 1.00 1.06 H new ATOM 0 HA GLN A 46 18.983 -9.973 -7.764 1.00 0.89 H new ATOM 0 HB2 GLN A 46 18.774 -9.636 -10.663 1.00 0.90 H new ATOM 0 HB3 GLN A 46 17.673 -8.551 -9.837 1.00 0.90 H new ATOM 0 HG2 GLN A 46 19.493 -7.668 -8.432 1.00 1.28 H new ATOM 0 HG3 GLN A 46 20.611 -8.871 -9.043 1.00 1.28 H new ATOM 0 HE21 GLN A 46 21.913 -8.194 -10.766 1.00 2.50 H new ATOM 0 HE22 GLN A 46 21.509 -6.861 -11.854 1.00 2.50 H new ATOM 678 N GLU A 47 16.039 -10.906 -8.880 1.00 0.76 N ATOM 679 CA GLU A 47 14.598 -10.945 -8.504 1.00 0.75 C ATOM 680 C GLU A 47 14.474 -11.111 -6.986 1.00 0.67 C ATOM 681 O GLU A 47 13.500 -10.704 -6.386 1.00 0.82 O ATOM 682 CB GLU A 47 13.938 -12.137 -9.196 1.00 0.99 C ATOM 683 CG GLU A 47 14.892 -13.333 -9.150 1.00 2.05 C ATOM 684 CD GLU A 47 15.308 -13.717 -10.572 1.00 2.71 C ATOM 685 OE1 GLU A 47 14.689 -13.228 -11.503 1.00 3.40 O ATOM 686 OE2 GLU A 47 16.238 -14.495 -10.705 1.00 3.08 O ATOM 0 H GLU A 47 16.287 -11.459 -9.700 1.00 0.76 H new ATOM 0 HA GLU A 47 14.110 -10.020 -8.811 1.00 0.75 H new ATOM 0 HB2 GLU A 47 12.999 -12.386 -8.702 1.00 0.99 H new ATOM 0 HB3 GLU A 47 13.698 -11.887 -10.229 1.00 0.99 H new ATOM 0 HG2 GLU A 47 15.773 -13.085 -8.558 1.00 2.05 H new ATOM 0 HG3 GLU A 47 14.407 -14.178 -8.662 1.00 2.05 H new ATOM 693 N ALA A 48 15.454 -11.708 -6.361 1.00 0.65 N ATOM 694 CA ALA A 48 15.388 -11.899 -4.883 1.00 0.64 C ATOM 695 C ALA A 48 16.133 -10.767 -4.178 1.00 0.61 C ATOM 696 O ALA A 48 16.852 -10.986 -3.224 1.00 0.85 O ATOM 697 CB ALA A 48 16.033 -13.233 -4.509 1.00 0.77 C ATOM 0 H ALA A 48 16.295 -12.071 -6.809 1.00 0.65 H new ATOM 0 HA ALA A 48 14.343 -11.895 -4.571 1.00 0.64 H new ATOM 0 HB1 ALA A 48 15.984 -13.371 -3.429 1.00 0.77 H new ATOM 0 HB2 ALA A 48 15.501 -14.046 -5.003 1.00 0.77 H new ATOM 0 HB3 ALA A 48 17.075 -13.235 -4.828 1.00 0.77 H new ATOM 703 N ARG A 49 15.968 -9.559 -4.637 1.00 0.54 N ATOM 704 CA ARG A 49 16.670 -8.419 -3.987 1.00 0.54 C ATOM 705 C ARG A 49 15.905 -7.126 -4.276 1.00 0.40 C ATOM 706 O ARG A 49 16.401 -6.252 -4.959 1.00 0.43 O ATOM 707 CB ARG A 49 18.094 -8.311 -4.535 1.00 0.73 C ATOM 708 CG ARG A 49 19.077 -8.189 -3.369 1.00 1.11 C ATOM 709 CD ARG A 49 20.023 -9.391 -3.368 1.00 1.67 C ATOM 710 NE ARG A 49 20.763 -9.439 -2.074 1.00 2.05 N ATOM 711 CZ ARG A 49 21.563 -10.438 -1.813 1.00 2.56 C ATOM 712 NH1 ARG A 49 21.714 -11.401 -2.682 1.00 3.03 N ATOM 713 NH2 ARG A 49 22.211 -10.475 -0.682 1.00 3.13 N ATOM 0 H ARG A 49 15.379 -9.312 -5.432 1.00 0.54 H new ATOM 0 HA ARG A 49 16.715 -8.583 -2.910 1.00 0.54 H new ATOM 0 HB2 ARG A 49 18.332 -9.189 -5.136 1.00 0.73 H new ATOM 0 HB3 ARG A 49 18.179 -7.444 -5.190 1.00 0.73 H new ATOM 0 HG2 ARG A 49 19.648 -7.264 -3.456 1.00 1.11 H new ATOM 0 HG3 ARG A 49 18.534 -8.140 -2.425 1.00 1.11 H new ATOM 0 HD2 ARG A 49 19.458 -10.312 -3.511 1.00 1.67 H new ATOM 0 HD3 ARG A 49 20.725 -9.316 -4.198 1.00 1.67 H new ATOM 0 HE ARG A 49 20.644 -8.690 -1.392 1.00 2.05 H new ATOM 0 HH11 ARG A 49 21.207 -11.374 -3.567 1.00 3.03 H new ATOM 0 HH12 ARG A 49 22.339 -12.180 -2.476 1.00 3.03 H new ATOM 0 HH21 ARG A 49 22.093 -9.724 -0.002 1.00 3.13 H new ATOM 0 HH22 ARG A 49 22.836 -11.255 -0.478 1.00 3.13 H new ATOM 727 N PRO A 50 14.714 -7.045 -3.738 1.00 0.35 N ATOM 728 CA PRO A 50 13.849 -5.867 -3.919 1.00 0.37 C ATOM 729 C PRO A 50 14.580 -4.599 -3.470 1.00 0.38 C ATOM 730 O PRO A 50 14.482 -3.561 -4.092 1.00 0.48 O ATOM 731 CB PRO A 50 12.630 -6.138 -3.031 1.00 0.48 C ATOM 732 CG PRO A 50 12.787 -7.559 -2.432 1.00 0.50 C ATOM 733 CD PRO A 50 14.141 -8.113 -2.898 1.00 0.44 C ATOM 0 HA PRO A 50 13.567 -5.712 -4.960 1.00 0.37 H new ATOM 0 HB2 PRO A 50 12.563 -5.394 -2.237 1.00 0.48 H new ATOM 0 HB3 PRO A 50 11.711 -6.068 -3.612 1.00 0.48 H new ATOM 0 HG2 PRO A 50 12.742 -7.523 -1.344 1.00 0.50 H new ATOM 0 HG3 PRO A 50 11.974 -8.206 -2.763 1.00 0.50 H new ATOM 0 HD2 PRO A 50 14.788 -8.341 -2.051 1.00 0.44 H new ATOM 0 HD3 PRO A 50 14.018 -9.037 -3.462 1.00 0.44 H new ATOM 741 N GLU A 51 15.311 -4.677 -2.393 1.00 0.43 N ATOM 742 CA GLU A 51 16.048 -3.478 -1.903 1.00 0.50 C ATOM 743 C GLU A 51 17.057 -3.034 -2.967 1.00 0.51 C ATOM 744 O GLU A 51 17.310 -1.860 -3.145 1.00 0.64 O ATOM 745 CB GLU A 51 16.790 -3.833 -0.615 1.00 0.59 C ATOM 746 CG GLU A 51 17.902 -4.836 -0.930 1.00 1.29 C ATOM 747 CD GLU A 51 18.705 -5.125 0.340 1.00 1.75 C ATOM 748 OE1 GLU A 51 19.629 -4.377 0.617 1.00 2.37 O ATOM 749 OE2 GLU A 51 18.384 -6.090 1.014 1.00 2.25 O ATOM 0 H GLU A 51 15.430 -5.519 -1.830 1.00 0.43 H new ATOM 0 HA GLU A 51 15.344 -2.669 -1.708 1.00 0.50 H new ATOM 0 HB2 GLU A 51 17.212 -2.934 -0.166 1.00 0.59 H new ATOM 0 HB3 GLU A 51 16.097 -4.257 0.112 1.00 0.59 H new ATOM 0 HG2 GLU A 51 17.473 -5.759 -1.320 1.00 1.29 H new ATOM 0 HG3 GLU A 51 18.557 -4.437 -1.704 1.00 1.29 H new ATOM 756 N GLU A 52 17.636 -3.968 -3.676 1.00 0.47 N ATOM 757 CA GLU A 52 18.629 -3.603 -4.728 1.00 0.53 C ATOM 758 C GLU A 52 17.981 -3.738 -6.109 1.00 0.53 C ATOM 759 O GLU A 52 18.650 -3.737 -7.123 1.00 0.89 O ATOM 760 CB GLU A 52 19.835 -4.541 -4.637 1.00 0.60 C ATOM 761 CG GLU A 52 21.015 -3.800 -4.004 1.00 1.01 C ATOM 762 CD GLU A 52 22.278 -4.657 -4.124 1.00 1.37 C ATOM 763 OE1 GLU A 52 22.611 -5.033 -5.236 1.00 1.88 O ATOM 764 OE2 GLU A 52 22.890 -4.922 -3.102 1.00 2.08 O ATOM 0 H GLU A 52 17.464 -4.968 -3.571 1.00 0.47 H new ATOM 0 HA GLU A 52 18.956 -2.574 -4.579 1.00 0.53 H new ATOM 0 HB2 GLU A 52 19.582 -5.418 -4.042 1.00 0.60 H new ATOM 0 HB3 GLU A 52 20.107 -4.897 -5.630 1.00 0.60 H new ATOM 0 HG2 GLU A 52 21.165 -2.841 -4.500 1.00 1.01 H new ATOM 0 HG3 GLU A 52 20.805 -3.587 -2.956 1.00 1.01 H new ATOM 771 N ILE A 53 16.682 -3.855 -6.152 1.00 0.46 N ATOM 772 CA ILE A 53 15.982 -3.991 -7.462 1.00 0.45 C ATOM 773 C ILE A 53 15.411 -2.627 -7.867 1.00 0.48 C ATOM 774 O ILE A 53 15.484 -2.225 -9.013 1.00 0.69 O ATOM 775 CB ILE A 53 14.860 -5.036 -7.318 1.00 0.42 C ATOM 776 CG1 ILE A 53 15.395 -6.404 -7.746 1.00 0.45 C ATOM 777 CG2 ILE A 53 13.658 -4.666 -8.196 1.00 0.53 C ATOM 778 CD1 ILE A 53 14.305 -7.467 -7.582 1.00 0.47 C ATOM 0 H ILE A 53 16.073 -3.862 -5.334 1.00 0.46 H new ATOM 0 HA ILE A 53 16.674 -4.322 -8.237 1.00 0.45 H new ATOM 0 HB ILE A 53 14.536 -5.064 -6.278 1.00 0.42 H new ATOM 0 HG12 ILE A 53 15.724 -6.366 -8.784 1.00 0.45 H new ATOM 0 HG13 ILE A 53 16.265 -6.668 -7.145 1.00 0.45 H new ATOM 0 HG21 ILE A 53 12.877 -5.417 -8.079 1.00 0.53 H new ATOM 0 HG22 ILE A 53 13.273 -3.692 -7.894 1.00 0.53 H new ATOM 0 HG23 ILE A 53 13.969 -4.625 -9.240 1.00 0.53 H new ATOM 0 HD11 ILE A 53 14.694 -8.438 -7.889 1.00 0.47 H new ATOM 0 HD12 ILE A 53 13.996 -7.514 -6.538 1.00 0.47 H new ATOM 0 HD13 ILE A 53 13.447 -7.207 -8.203 1.00 0.47 H new ATOM 790 N GLY A 54 14.843 -1.918 -6.935 1.00 0.42 N ATOM 791 CA GLY A 54 14.265 -0.582 -7.256 1.00 0.44 C ATOM 792 C GLY A 54 12.746 -0.634 -7.090 1.00 0.39 C ATOM 793 O GLY A 54 12.199 -0.154 -6.116 1.00 0.39 O ATOM 0 H GLY A 54 14.753 -2.206 -5.961 1.00 0.42 H new ATOM 0 HA2 GLY A 54 14.688 0.177 -6.598 1.00 0.44 H new ATOM 0 HA3 GLY A 54 14.521 -0.298 -8.277 1.00 0.44 H new ATOM 797 N TRP A 55 12.061 -1.213 -8.035 1.00 0.37 N ATOM 798 CA TRP A 55 10.576 -1.300 -7.940 1.00 0.34 C ATOM 799 C TRP A 55 10.115 -2.664 -8.456 1.00 0.33 C ATOM 800 O TRP A 55 10.677 -3.204 -9.388 1.00 0.38 O ATOM 801 CB TRP A 55 9.947 -0.195 -8.791 1.00 0.37 C ATOM 802 CG TRP A 55 9.940 1.114 -8.001 1.00 0.41 C ATOM 803 CD1 TRP A 55 11.022 1.873 -7.757 1.00 0.48 C ATOM 804 CD2 TRP A 55 8.863 1.667 -7.449 1.00 0.42 C ATOM 805 NE1 TRP A 55 10.536 2.890 -7.042 1.00 0.52 N ATOM 806 CE2 TRP A 55 9.203 2.841 -6.805 1.00 0.49 C ATOM 807 CE3 TRP A 55 7.552 1.237 -7.448 1.00 0.43 C ATOM 808 CZ2 TRP A 55 8.235 3.582 -6.161 1.00 0.53 C ATOM 809 CZ3 TRP A 55 6.583 1.979 -6.803 1.00 0.50 C ATOM 810 CH2 TRP A 55 6.926 3.152 -6.160 1.00 0.54 C ATOM 0 H TRP A 55 12.466 -1.631 -8.872 1.00 0.37 H new ATOM 0 HA TRP A 55 10.268 -1.179 -6.901 1.00 0.34 H new ATOM 0 HB2 TRP A 55 10.508 -0.070 -9.717 1.00 0.37 H new ATOM 0 HB3 TRP A 55 8.930 -0.470 -9.069 1.00 0.37 H new ATOM 0 HD1 TRP A 55 12.042 1.701 -8.066 1.00 0.48 H new ATOM 0 HE1 TRP A 55 11.125 3.649 -6.699 1.00 0.52 H new ATOM 0 HE3 TRP A 55 7.284 0.320 -7.952 1.00 0.43 H new ATOM 0 HZ2 TRP A 55 8.503 4.499 -5.657 1.00 0.53 H new ATOM 0 HZ3 TRP A 55 5.557 1.642 -6.801 1.00 0.50 H new ATOM 0 HH2 TRP A 55 6.168 3.733 -5.656 1.00 0.54 H new ATOM 821 N LEU A 56 9.097 -3.229 -7.864 1.00 0.36 N ATOM 822 CA LEU A 56 8.617 -4.556 -8.335 1.00 0.36 C ATOM 823 C LEU A 56 7.092 -4.564 -8.444 1.00 0.34 C ATOM 824 O LEU A 56 6.394 -4.003 -7.621 1.00 0.40 O ATOM 825 CB LEU A 56 9.072 -5.640 -7.368 1.00 0.36 C ATOM 826 CG LEU A 56 10.477 -5.305 -6.877 1.00 0.42 C ATOM 827 CD1 LEU A 56 10.380 -4.407 -5.646 1.00 0.54 C ATOM 828 CD2 LEU A 56 11.210 -6.596 -6.520 1.00 0.42 C ATOM 0 H LEU A 56 8.581 -2.830 -7.080 1.00 0.36 H new ATOM 0 HA LEU A 56 9.038 -4.752 -9.321 1.00 0.36 H new ATOM 0 HB2 LEU A 56 8.384 -5.707 -6.525 1.00 0.36 H new ATOM 0 HB3 LEU A 56 9.067 -6.612 -7.861 1.00 0.36 H new ATOM 0 HG LEU A 56 11.027 -4.785 -7.661 1.00 0.42 H new ATOM 0 HD11 LEU A 56 11.382 -4.165 -5.292 1.00 0.54 H new ATOM 0 HD12 LEU A 56 9.856 -3.488 -5.907 1.00 0.54 H new ATOM 0 HD13 LEU A 56 9.833 -4.926 -4.859 1.00 0.54 H new ATOM 0 HD21 LEU A 56 12.214 -6.359 -6.169 1.00 0.42 H new ATOM 0 HD22 LEU A 56 10.665 -7.119 -5.734 1.00 0.42 H new ATOM 0 HD23 LEU A 56 11.275 -7.233 -7.402 1.00 0.42 H new ATOM 840 N ASN A 57 6.577 -5.190 -9.467 1.00 0.36 N ATOM 841 CA ASN A 57 5.101 -5.250 -9.654 1.00 0.37 C ATOM 842 C ASN A 57 4.586 -6.554 -9.045 1.00 0.37 C ATOM 843 O ASN A 57 4.749 -7.617 -9.609 1.00 0.44 O ATOM 844 CB ASN A 57 4.778 -5.224 -11.149 1.00 0.45 C ATOM 845 CG ASN A 57 3.263 -5.143 -11.344 1.00 0.65 C ATOM 846 OD1 ASN A 57 2.615 -6.141 -11.587 1.00 1.54 O ATOM 847 ND2 ASN A 57 2.668 -3.986 -11.248 1.00 0.87 N ATOM 0 H ASN A 57 7.121 -5.666 -10.187 1.00 0.36 H new ATOM 0 HA ASN A 57 4.626 -4.397 -9.168 1.00 0.37 H new ATOM 0 HB2 ASN A 57 5.262 -4.369 -11.621 1.00 0.45 H new ATOM 0 HB3 ASN A 57 5.170 -6.119 -11.632 1.00 0.45 H new ATOM 0 HD21 ASN A 57 1.658 -3.919 -11.377 1.00 0.87 H new ATOM 0 HD22 ASN A 57 3.212 -3.148 -11.044 1.00 0.87 H new ATOM 854 N GLY A 58 3.964 -6.487 -7.901 1.00 0.36 N ATOM 855 CA GLY A 58 3.449 -7.735 -7.273 1.00 0.43 C ATOM 856 C GLY A 58 1.953 -7.611 -6.995 1.00 0.39 C ATOM 857 O GLY A 58 1.334 -6.599 -7.271 1.00 0.46 O ATOM 0 H GLY A 58 3.791 -5.629 -7.377 1.00 0.36 H new ATOM 0 HA2 GLY A 58 3.634 -8.584 -7.931 1.00 0.43 H new ATOM 0 HA3 GLY A 58 3.984 -7.929 -6.343 1.00 0.43 H new ATOM 861 N TYR A 59 1.370 -8.644 -6.451 1.00 0.32 N ATOM 862 CA TYR A 59 -0.085 -8.611 -6.145 1.00 0.31 C ATOM 863 C TYR A 59 -0.296 -8.594 -4.629 1.00 0.30 C ATOM 864 O TYR A 59 -0.091 -9.585 -3.955 1.00 0.33 O ATOM 865 CB TYR A 59 -0.754 -9.857 -6.726 1.00 0.34 C ATOM 866 CG TYR A 59 -2.272 -9.700 -6.635 1.00 0.39 C ATOM 867 CD1 TYR A 59 -2.960 -8.986 -7.592 1.00 0.56 C ATOM 868 CD2 TYR A 59 -2.972 -10.261 -5.586 1.00 0.60 C ATOM 869 CE1 TYR A 59 -4.327 -8.832 -7.503 1.00 0.60 C ATOM 870 CE2 TYR A 59 -4.340 -10.108 -5.497 1.00 0.69 C ATOM 871 CZ TYR A 59 -5.029 -9.392 -6.455 1.00 0.57 C ATOM 872 OH TYR A 59 -6.398 -9.241 -6.368 1.00 0.68 O ATOM 0 H TYR A 59 1.843 -9.513 -6.205 1.00 0.32 H new ATOM 0 HA TYR A 59 -0.522 -7.714 -6.584 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -0.452 -9.996 -7.764 1.00 0.34 H new ATOM 0 HB3 TYR A 59 -0.435 -10.744 -6.180 1.00 0.34 H new ATOM 0 HD1 TYR A 59 -2.424 -8.543 -8.418 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -2.445 -10.824 -4.830 1.00 0.60 H new ATOM 0 HE1 TYR A 59 -4.853 -8.269 -8.260 1.00 0.60 H new ATOM 0 HE2 TYR A 59 -4.876 -10.552 -4.671 1.00 0.69 H new ATOM 0 HH TYR A 59 -6.728 -9.701 -5.568 1.00 0.68 H new ATOM 882 N ASN A 60 -0.709 -7.483 -4.085 1.00 0.33 N ATOM 883 CA ASN A 60 -0.932 -7.415 -2.614 1.00 0.36 C ATOM 884 C ASN A 60 -2.266 -8.085 -2.277 1.00 0.36 C ATOM 885 O ASN A 60 -3.298 -7.447 -2.229 1.00 0.39 O ATOM 886 CB ASN A 60 -0.981 -5.950 -2.176 1.00 0.44 C ATOM 887 CG ASN A 60 0.408 -5.505 -1.716 1.00 0.67 C ATOM 888 OD1 ASN A 60 1.062 -6.196 -0.961 1.00 1.55 O ATOM 889 ND2 ASN A 60 0.889 -4.372 -2.142 1.00 1.06 N ATOM 0 H ASN A 60 -0.901 -6.621 -4.595 1.00 0.33 H new ATOM 0 HA ASN A 60 -0.120 -7.926 -2.096 1.00 0.36 H new ATOM 0 HB2 ASN A 60 -1.319 -5.324 -3.002 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -1.700 -5.826 -1.366 1.00 0.44 H new ATOM 0 HD21 ASN A 60 1.814 -4.066 -1.842 1.00 1.06 H new ATOM 0 HD22 ASN A 60 0.340 -3.791 -2.776 1.00 1.06 H new ATOM 896 N GLU A 61 -2.252 -9.372 -2.047 1.00 0.40 N ATOM 897 CA GLU A 61 -3.517 -10.089 -1.714 1.00 0.45 C ATOM 898 C GLU A 61 -4.180 -9.432 -0.501 1.00 0.42 C ATOM 899 O GLU A 61 -5.389 -9.357 -0.408 1.00 0.44 O ATOM 900 CB GLU A 61 -3.205 -11.551 -1.389 1.00 0.55 C ATOM 901 CG GLU A 61 -3.297 -12.391 -2.664 1.00 1.21 C ATOM 902 CD GLU A 61 -3.449 -13.867 -2.289 1.00 1.59 C ATOM 903 OE1 GLU A 61 -4.410 -14.190 -1.611 1.00 2.04 O ATOM 904 OE2 GLU A 61 -2.600 -14.649 -2.686 1.00 2.25 O ATOM 0 H GLU A 61 -1.417 -9.958 -2.076 1.00 0.40 H new ATOM 0 HA GLU A 61 -4.193 -10.039 -2.568 1.00 0.45 H new ATOM 0 HB2 GLU A 61 -2.207 -11.633 -0.958 1.00 0.55 H new ATOM 0 HB3 GLU A 61 -3.906 -11.926 -0.643 1.00 0.55 H new ATOM 0 HG2 GLU A 61 -4.147 -12.068 -3.265 1.00 1.21 H new ATOM 0 HG3 GLU A 61 -2.404 -12.249 -3.272 1.00 1.21 H new ATOM 911 N THR A 62 -3.400 -8.960 0.433 1.00 0.41 N ATOM 912 CA THR A 62 -3.991 -8.310 1.637 1.00 0.42 C ATOM 913 C THR A 62 -4.949 -7.206 1.193 1.00 0.45 C ATOM 914 O THR A 62 -5.993 -7.000 1.778 1.00 0.63 O ATOM 915 CB THR A 62 -2.876 -7.703 2.490 1.00 0.43 C ATOM 916 OG1 THR A 62 -2.038 -8.741 2.977 1.00 0.48 O ATOM 917 CG2 THR A 62 -3.487 -6.940 3.666 1.00 0.48 C ATOM 0 H THR A 62 -2.381 -8.996 0.415 1.00 0.41 H new ATOM 0 HA THR A 62 -4.532 -9.052 2.224 1.00 0.42 H new ATOM 0 HB THR A 62 -2.287 -7.015 1.884 1.00 0.43 H new ATOM 0 HG1 THR A 62 -1.916 -8.636 3.944 1.00 0.48 H new ATOM 0 HG21 THR A 62 -2.691 -6.508 4.273 1.00 0.48 H new ATOM 0 HG22 THR A 62 -4.129 -6.144 3.289 1.00 0.48 H new ATOM 0 HG23 THR A 62 -4.078 -7.624 4.276 1.00 0.48 H new ATOM 925 N THR A 63 -4.599 -6.497 0.158 1.00 0.45 N ATOM 926 CA THR A 63 -5.483 -5.403 -0.334 1.00 0.51 C ATOM 927 C THR A 63 -6.093 -5.810 -1.676 1.00 0.53 C ATOM 928 O THR A 63 -6.787 -5.041 -2.311 1.00 0.65 O ATOM 929 CB THR A 63 -4.664 -4.120 -0.524 1.00 0.58 C ATOM 930 OG1 THR A 63 -4.260 -4.018 -1.882 1.00 1.48 O ATOM 931 CG2 THR A 63 -3.426 -4.150 0.376 1.00 1.45 C ATOM 0 H THR A 63 -3.737 -6.628 -0.371 1.00 0.45 H new ATOM 0 HA THR A 63 -6.274 -5.225 0.395 1.00 0.51 H new ATOM 0 HB THR A 63 -5.277 -3.260 -0.256 1.00 0.58 H new ATOM 0 HG1 THR A 63 -3.316 -4.267 -1.962 1.00 1.48 H new ATOM 0 HG21 THR A 63 -2.851 -3.235 0.234 1.00 1.45 H new ATOM 0 HG22 THR A 63 -3.736 -4.226 1.418 1.00 1.45 H new ATOM 0 HG23 THR A 63 -2.809 -5.010 0.117 1.00 1.45 H new ATOM 939 N GLY A 64 -5.843 -7.014 -2.114 1.00 0.47 N ATOM 940 CA GLY A 64 -6.411 -7.462 -3.414 1.00 0.54 C ATOM 941 C GLY A 64 -6.095 -6.416 -4.486 1.00 0.54 C ATOM 942 O GLY A 64 -6.925 -6.089 -5.310 1.00 0.62 O ATOM 0 H GLY A 64 -5.271 -7.704 -1.628 1.00 0.47 H new ATOM 0 HA2 GLY A 64 -5.991 -8.427 -3.695 1.00 0.54 H new ATOM 0 HA3 GLY A 64 -7.489 -7.597 -3.327 1.00 0.54 H new ATOM 946 N GLU A 65 -4.900 -5.888 -4.482 1.00 0.51 N ATOM 947 CA GLU A 65 -4.537 -4.865 -5.502 1.00 0.56 C ATOM 948 C GLU A 65 -3.285 -5.315 -6.256 1.00 0.53 C ATOM 949 O GLU A 65 -2.541 -6.159 -5.798 1.00 0.88 O ATOM 950 CB GLU A 65 -4.262 -3.528 -4.811 1.00 0.63 C ATOM 951 CG GLU A 65 -5.587 -2.877 -4.409 1.00 1.01 C ATOM 952 CD GLU A 65 -5.897 -1.720 -5.361 1.00 1.53 C ATOM 953 OE1 GLU A 65 -4.973 -1.234 -5.992 1.00 2.19 O ATOM 954 OE2 GLU A 65 -7.054 -1.341 -5.444 1.00 2.15 O ATOM 0 H GLU A 65 -4.162 -6.121 -3.818 1.00 0.51 H new ATOM 0 HA GLU A 65 -5.362 -4.748 -6.205 1.00 0.56 H new ATOM 0 HB2 GLU A 65 -3.639 -3.684 -3.930 1.00 0.63 H new ATOM 0 HB3 GLU A 65 -3.709 -2.868 -5.480 1.00 0.63 H new ATOM 0 HG2 GLU A 65 -6.390 -3.613 -4.441 1.00 1.01 H new ATOM 0 HG3 GLU A 65 -5.529 -2.512 -3.383 1.00 1.01 H new ATOM 961 N ARG A 66 -3.046 -4.755 -7.410 1.00 0.45 N ATOM 962 CA ARG A 66 -1.843 -5.148 -8.196 1.00 0.41 C ATOM 963 C ARG A 66 -1.147 -3.889 -8.717 1.00 0.42 C ATOM 964 O ARG A 66 -1.787 -2.957 -9.161 1.00 0.54 O ATOM 965 CB ARG A 66 -2.271 -6.016 -9.381 1.00 0.49 C ATOM 966 CG ARG A 66 -1.030 -6.561 -10.088 1.00 1.00 C ATOM 967 CD ARG A 66 -1.397 -7.835 -10.851 1.00 1.13 C ATOM 968 NE ARG A 66 -2.062 -7.470 -12.134 1.00 1.68 N ATOM 969 CZ ARG A 66 -2.172 -8.352 -13.090 1.00 2.01 C ATOM 970 NH1 ARG A 66 -1.697 -9.558 -12.930 1.00 2.18 N ATOM 971 NH2 ARG A 66 -2.757 -8.027 -14.210 1.00 2.82 N ATOM 0 H ARG A 66 -3.633 -4.042 -7.843 1.00 0.45 H new ATOM 0 HA ARG A 66 -1.159 -5.710 -7.560 1.00 0.41 H new ATOM 0 HB2 ARG A 66 -2.897 -6.839 -9.035 1.00 0.49 H new ATOM 0 HB3 ARG A 66 -2.871 -5.430 -10.077 1.00 0.49 H new ATOM 0 HG2 ARG A 66 -0.632 -5.814 -10.775 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -0.247 -6.773 -9.360 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -0.502 -8.425 -11.048 1.00 1.13 H new ATOM 0 HD3 ARG A 66 -2.061 -8.455 -10.248 1.00 1.13 H new ATOM 0 HE ARG A 66 -2.432 -6.529 -12.265 1.00 1.68 H new ATOM 0 HH11 ARG A 66 -1.238 -9.814 -12.056 1.00 2.18 H new ATOM 0 HH12 ARG A 66 -1.785 -10.244 -13.679 1.00 2.18 H new ATOM 0 HH21 ARG A 66 -3.127 -7.085 -14.337 1.00 2.82 H new ATOM 0 HH22 ARG A 66 -2.844 -8.715 -14.958 1.00 2.82 H new ATOM 985 N GLY A 67 0.158 -3.848 -8.669 1.00 0.39 N ATOM 986 CA GLY A 67 0.873 -2.638 -9.168 1.00 0.41 C ATOM 987 C GLY A 67 2.351 -2.697 -8.777 1.00 0.37 C ATOM 988 O GLY A 67 2.835 -3.690 -8.269 1.00 0.37 O ATOM 0 H GLY A 67 0.755 -4.593 -8.309 1.00 0.39 H new ATOM 0 HA2 GLY A 67 0.779 -2.572 -10.252 1.00 0.41 H new ATOM 0 HA3 GLY A 67 0.415 -1.740 -8.753 1.00 0.41 H new ATOM 992 N ASP A 68 3.072 -1.632 -9.014 1.00 0.37 N ATOM 993 CA ASP A 68 4.519 -1.611 -8.663 1.00 0.35 C ATOM 994 C ASP A 68 4.694 -1.012 -7.266 1.00 0.33 C ATOM 995 O ASP A 68 3.801 -0.380 -6.735 1.00 0.37 O ATOM 996 CB ASP A 68 5.277 -0.757 -9.683 1.00 0.41 C ATOM 997 CG ASP A 68 5.199 -1.418 -11.061 1.00 1.24 C ATOM 998 OD1 ASP A 68 5.896 -2.397 -11.266 1.00 2.02 O ATOM 999 OD2 ASP A 68 4.445 -0.931 -11.887 1.00 1.97 O ATOM 0 H ASP A 68 2.718 -0.774 -9.437 1.00 0.37 H new ATOM 0 HA ASP A 68 4.913 -2.627 -8.675 1.00 0.35 H new ATOM 0 HB2 ASP A 68 4.849 0.245 -9.724 1.00 0.41 H new ATOM 0 HB3 ASP A 68 6.318 -0.647 -9.379 1.00 0.41 H new ATOM 1004 N PHE A 69 5.837 -1.204 -6.666 1.00 0.31 N ATOM 1005 CA PHE A 69 6.063 -0.643 -5.303 1.00 0.31 C ATOM 1006 C PHE A 69 7.564 -0.622 -5.000 1.00 0.29 C ATOM 1007 O PHE A 69 8.331 -1.315 -5.638 1.00 0.28 O ATOM 1008 CB PHE A 69 5.357 -1.531 -4.274 1.00 0.32 C ATOM 1009 CG PHE A 69 5.708 -2.997 -4.545 1.00 0.29 C ATOM 1010 CD1 PHE A 69 7.020 -3.434 -4.461 1.00 1.15 C ATOM 1011 CD2 PHE A 69 4.720 -3.903 -4.888 1.00 1.26 C ATOM 1012 CE1 PHE A 69 7.337 -4.750 -4.718 1.00 1.14 C ATOM 1013 CE2 PHE A 69 5.041 -5.223 -5.142 1.00 1.29 C ATOM 1014 CZ PHE A 69 6.350 -5.643 -5.061 1.00 0.37 C ATOM 0 H PHE A 69 6.622 -1.723 -7.059 1.00 0.31 H new ATOM 0 HA PHE A 69 5.667 0.371 -5.255 1.00 0.31 H new ATOM 0 HB2 PHE A 69 5.663 -1.252 -3.266 1.00 0.32 H new ATOM 0 HB3 PHE A 69 4.278 -1.387 -4.331 1.00 0.32 H new ATOM 0 HD1 PHE A 69 7.800 -2.738 -4.192 1.00 1.15 H new ATOM 0 HD2 PHE A 69 3.693 -3.577 -4.958 1.00 1.26 H new ATOM 0 HE1 PHE A 69 8.363 -5.080 -4.650 1.00 1.14 H new ATOM 0 HE2 PHE A 69 4.264 -5.926 -5.404 1.00 1.29 H new ATOM 0 HZ PHE A 69 6.601 -6.673 -5.267 1.00 0.37 H new ATOM 1024 N PRO A 70 7.941 0.175 -4.032 1.00 0.31 N ATOM 1025 CA PRO A 70 9.351 0.297 -3.630 1.00 0.32 C ATOM 1026 C PRO A 70 9.855 -1.063 -3.138 1.00 0.30 C ATOM 1027 O PRO A 70 9.403 -1.578 -2.135 1.00 0.32 O ATOM 1028 CB PRO A 70 9.351 1.326 -2.491 1.00 0.37 C ATOM 1029 CG PRO A 70 7.886 1.790 -2.280 1.00 0.42 C ATOM 1030 CD PRO A 70 7.002 1.022 -3.276 1.00 0.37 C ATOM 0 HA PRO A 70 10.002 0.608 -4.447 1.00 0.32 H new ATOM 0 HB2 PRO A 70 9.749 0.886 -1.577 1.00 0.37 H new ATOM 0 HB3 PRO A 70 9.989 2.174 -2.740 1.00 0.37 H new ATOM 0 HG2 PRO A 70 7.567 1.594 -1.256 1.00 0.42 H new ATOM 0 HG3 PRO A 70 7.799 2.864 -2.441 1.00 0.42 H new ATOM 0 HD2 PRO A 70 6.254 0.421 -2.760 1.00 0.37 H new ATOM 0 HD3 PRO A 70 6.464 1.703 -3.935 1.00 0.37 H new ATOM 1038 N GLY A 71 10.782 -1.651 -3.842 1.00 0.30 N ATOM 1039 CA GLY A 71 11.314 -2.977 -3.419 1.00 0.32 C ATOM 1040 C GLY A 71 11.906 -2.896 -2.011 1.00 0.33 C ATOM 1041 O GLY A 71 11.760 -3.802 -1.219 1.00 0.34 O ATOM 0 H GLY A 71 11.195 -1.270 -4.693 1.00 0.30 H new ATOM 0 HA2 GLY A 71 10.516 -3.719 -3.441 1.00 0.32 H new ATOM 0 HA3 GLY A 71 12.078 -3.309 -4.122 1.00 0.32 H new ATOM 1045 N THR A 72 12.564 -1.824 -1.685 1.00 0.36 N ATOM 1046 CA THR A 72 13.157 -1.715 -0.319 1.00 0.38 C ATOM 1047 C THR A 72 12.077 -1.957 0.745 1.00 0.37 C ATOM 1048 O THR A 72 12.369 -2.379 1.847 1.00 0.43 O ATOM 1049 CB THR A 72 13.769 -0.325 -0.122 1.00 0.45 C ATOM 1050 OG1 THR A 72 12.765 0.579 0.317 1.00 0.49 O ATOM 1051 CG2 THR A 72 14.369 0.173 -1.438 1.00 0.56 C ATOM 0 H THR A 72 12.719 -1.022 -2.296 1.00 0.36 H new ATOM 0 HA THR A 72 13.937 -2.469 -0.215 1.00 0.38 H new ATOM 0 HB THR A 72 14.557 -0.385 0.628 1.00 0.45 H new ATOM 0 HG1 THR A 72 12.571 0.417 1.264 1.00 0.49 H new ATOM 0 HG21 THR A 72 14.802 1.162 -1.289 1.00 0.56 H new ATOM 0 HG22 THR A 72 15.145 -0.517 -1.768 1.00 0.56 H new ATOM 0 HG23 THR A 72 13.588 0.229 -2.196 1.00 0.56 H new ATOM 1059 N TYR A 73 10.835 -1.694 0.433 1.00 0.35 N ATOM 1060 CA TYR A 73 9.749 -1.914 1.437 1.00 0.37 C ATOM 1061 C TYR A 73 9.228 -3.356 1.369 1.00 0.35 C ATOM 1062 O TYR A 73 8.092 -3.625 1.706 1.00 0.47 O ATOM 1063 CB TYR A 73 8.598 -0.942 1.165 1.00 0.41 C ATOM 1064 CG TYR A 73 9.086 0.498 1.333 1.00 0.39 C ATOM 1065 CD1 TYR A 73 10.337 0.761 1.851 1.00 1.21 C ATOM 1066 CD2 TYR A 73 8.282 1.554 0.963 1.00 1.22 C ATOM 1067 CE1 TYR A 73 10.777 2.056 1.994 1.00 1.22 C ATOM 1068 CE2 TYR A 73 8.722 2.851 1.106 1.00 1.25 C ATOM 1069 CZ TYR A 73 9.974 3.114 1.623 1.00 0.48 C ATOM 1070 OH TYR A 73 10.415 4.414 1.768 1.00 0.56 O ATOM 0 H TYR A 73 10.525 -1.337 -0.471 1.00 0.35 H new ATOM 0 HA TYR A 73 10.156 -1.738 2.433 1.00 0.37 H new ATOM 0 HB2 TYR A 73 8.215 -1.091 0.155 1.00 0.41 H new ATOM 0 HB3 TYR A 73 7.774 -1.139 1.851 1.00 0.41 H new ATOM 0 HD1 TYR A 73 10.977 -0.057 2.147 1.00 1.21 H new ATOM 0 HD2 TYR A 73 7.299 1.363 0.558 1.00 1.22 H new ATOM 0 HE1 TYR A 73 11.759 2.246 2.400 1.00 1.22 H new ATOM 0 HE2 TYR A 73 8.082 3.669 0.811 1.00 1.25 H new ATOM 0 HH TYR A 73 9.721 5.032 1.456 1.00 0.56 H new ATOM 1080 N VAL A 74 10.042 -4.283 0.942 1.00 0.34 N ATOM 1081 CA VAL A 74 9.581 -5.701 0.860 1.00 0.33 C ATOM 1082 C VAL A 74 10.730 -6.625 1.255 1.00 0.35 C ATOM 1083 O VAL A 74 11.819 -6.183 1.563 1.00 0.46 O ATOM 1084 CB VAL A 74 9.127 -6.049 -0.563 1.00 0.32 C ATOM 1085 CG1 VAL A 74 7.982 -5.135 -0.979 1.00 0.50 C ATOM 1086 CG2 VAL A 74 10.285 -5.877 -1.542 1.00 0.42 C ATOM 0 H VAL A 74 11.005 -4.121 0.647 1.00 0.34 H new ATOM 0 HA VAL A 74 8.737 -5.830 1.537 1.00 0.33 H new ATOM 0 HB VAL A 74 8.793 -7.086 -0.578 1.00 0.32 H new ATOM 0 HG11 VAL A 74 7.664 -5.387 -1.991 1.00 0.50 H new ATOM 0 HG12 VAL A 74 7.145 -5.265 -0.293 1.00 0.50 H new ATOM 0 HG13 VAL A 74 8.316 -4.098 -0.952 1.00 0.50 H new ATOM 0 HG21 VAL A 74 9.950 -6.127 -2.549 1.00 0.42 H new ATOM 0 HG22 VAL A 74 10.629 -4.843 -1.520 1.00 0.42 H new ATOM 0 HG23 VAL A 74 11.104 -6.538 -1.257 1.00 0.42 H new ATOM 1096 N GLU A 75 10.495 -7.905 1.248 1.00 0.33 N ATOM 1097 CA GLU A 75 11.571 -8.862 1.621 1.00 0.36 C ATOM 1098 C GLU A 75 11.271 -10.221 0.992 1.00 0.35 C ATOM 1099 O GLU A 75 10.587 -11.043 1.570 1.00 0.37 O ATOM 1100 CB GLU A 75 11.629 -9.004 3.145 1.00 0.44 C ATOM 1101 CG GLU A 75 10.221 -9.247 3.691 1.00 0.54 C ATOM 1102 CD GLU A 75 10.257 -9.251 5.221 1.00 0.65 C ATOM 1103 OE1 GLU A 75 11.344 -9.341 5.769 1.00 1.25 O ATOM 1104 OE2 GLU A 75 9.197 -9.163 5.819 1.00 1.28 O ATOM 0 H GLU A 75 9.602 -8.331 1.000 1.00 0.33 H new ATOM 0 HA GLU A 75 12.531 -8.493 1.259 1.00 0.36 H new ATOM 0 HB2 GLU A 75 12.284 -9.831 3.419 1.00 0.44 H new ATOM 0 HB3 GLU A 75 12.052 -8.103 3.589 1.00 0.44 H new ATOM 0 HG2 GLU A 75 9.543 -8.471 3.335 1.00 0.54 H new ATOM 0 HG3 GLU A 75 9.837 -10.199 3.324 1.00 0.54 H new ATOM 1111 N TYR A 76 11.750 -10.456 -0.200 1.00 0.36 N ATOM 1112 CA TYR A 76 11.485 -11.767 -0.854 1.00 0.39 C ATOM 1113 C TYR A 76 11.683 -12.886 0.171 1.00 0.44 C ATOM 1114 O TYR A 76 12.671 -12.921 0.877 1.00 0.57 O ATOM 1115 CB TYR A 76 12.452 -11.970 -2.024 1.00 0.49 C ATOM 1116 CG TYR A 76 12.054 -13.223 -2.808 1.00 0.56 C ATOM 1117 CD1 TYR A 76 10.745 -13.648 -2.835 1.00 1.29 C ATOM 1118 CD2 TYR A 76 12.998 -13.946 -3.508 1.00 1.33 C ATOM 1119 CE1 TYR A 76 10.389 -14.767 -3.545 1.00 1.38 C ATOM 1120 CE2 TYR A 76 12.634 -15.071 -4.222 1.00 1.55 C ATOM 1121 CZ TYR A 76 11.324 -15.490 -4.240 1.00 1.09 C ATOM 1122 OH TYR A 76 10.957 -16.634 -4.921 1.00 1.42 O ATOM 0 H TYR A 76 12.310 -9.801 -0.745 1.00 0.36 H new ATOM 0 HA TYR A 76 10.462 -11.785 -1.230 1.00 0.39 H new ATOM 0 HB2 TYR A 76 12.435 -11.099 -2.679 1.00 0.49 H new ATOM 0 HB3 TYR A 76 13.472 -12.070 -1.653 1.00 0.49 H new ATOM 0 HD1 TYR A 76 9.992 -13.096 -2.293 1.00 1.29 H new ATOM 0 HD2 TYR A 76 14.031 -13.630 -3.498 1.00 1.33 H new ATOM 0 HE1 TYR A 76 9.356 -15.083 -3.557 1.00 1.38 H new ATOM 0 HE2 TYR A 76 13.382 -15.625 -4.769 1.00 1.55 H new ATOM 0 HH TYR A 76 10.851 -16.428 -5.873 1.00 1.42 H new ATOM 1132 N ILE A 77 10.758 -13.801 0.263 1.00 0.55 N ATOM 1133 CA ILE A 77 10.914 -14.907 1.250 1.00 0.70 C ATOM 1134 C ILE A 77 10.839 -16.263 0.541 1.00 0.94 C ATOM 1135 O ILE A 77 11.048 -17.296 1.144 1.00 1.22 O ATOM 1136 CB ILE A 77 9.806 -14.813 2.300 1.00 0.89 C ATOM 1137 CG1 ILE A 77 9.813 -13.417 2.926 1.00 1.18 C ATOM 1138 CG2 ILE A 77 10.049 -15.861 3.389 1.00 1.28 C ATOM 1139 CD1 ILE A 77 8.916 -13.406 4.167 1.00 1.69 C ATOM 0 H ILE A 77 9.907 -13.832 -0.298 1.00 0.55 H new ATOM 0 HA ILE A 77 11.886 -14.817 1.735 1.00 0.70 H new ATOM 0 HB ILE A 77 8.840 -14.994 1.828 1.00 0.89 H new ATOM 0 HG12 ILE A 77 10.830 -13.134 3.198 1.00 1.18 H new ATOM 0 HG13 ILE A 77 9.460 -12.682 2.203 1.00 1.18 H new ATOM 0 HG21 ILE A 77 9.261 -15.796 4.139 1.00 1.28 H new ATOM 0 HG22 ILE A 77 10.045 -16.856 2.944 1.00 1.28 H new ATOM 0 HG23 ILE A 77 11.014 -15.678 3.861 1.00 1.28 H new ATOM 0 HD11 ILE A 77 8.922 -12.411 4.612 1.00 1.69 H new ATOM 0 HD12 ILE A 77 7.898 -13.670 3.882 1.00 1.69 H new ATOM 0 HD13 ILE A 77 9.289 -14.130 4.892 1.00 1.69 H new ATOM 1151 N GLY A 78 10.545 -16.277 -0.730 1.00 0.94 N ATOM 1152 CA GLY A 78 10.465 -17.581 -1.450 1.00 1.29 C ATOM 1153 C GLY A 78 9.200 -17.634 -2.313 1.00 0.77 C ATOM 1154 O GLY A 78 8.545 -16.638 -2.543 1.00 0.80 O ATOM 0 H GLY A 78 10.358 -15.450 -1.298 1.00 0.94 H new ATOM 0 HA2 GLY A 78 11.347 -17.713 -2.077 1.00 1.29 H new ATOM 0 HA3 GLY A 78 10.458 -18.401 -0.732 1.00 1.29 H new ATOM 1158 N ARG A 79 8.848 -18.800 -2.783 1.00 1.10 N ATOM 1159 CA ARG A 79 7.625 -18.923 -3.632 1.00 1.67 C ATOM 1160 C ARG A 79 6.423 -19.243 -2.741 1.00 2.18 C ATOM 1161 O ARG A 79 6.575 -19.189 -1.532 1.00 2.58 O ATOM 1162 CB ARG A 79 7.788 -20.039 -4.683 1.00 2.25 C ATOM 1163 CG ARG A 79 9.103 -20.801 -4.477 1.00 2.76 C ATOM 1164 CD ARG A 79 9.177 -21.968 -5.464 1.00 3.34 C ATOM 1165 NE ARG A 79 9.943 -23.090 -4.849 1.00 3.96 N ATOM 1166 CZ ARG A 79 9.496 -23.680 -3.772 1.00 4.64 C ATOM 1167 NH1 ARG A 79 8.366 -23.305 -3.236 1.00 4.90 N ATOM 1168 NH2 ARG A 79 10.176 -24.654 -3.234 1.00 5.41 N ATOM 1169 OXT ARG A 79 5.370 -19.534 -3.283 1.00 2.83 O ATOM 0 H ARG A 79 9.352 -19.671 -2.617 1.00 1.10 H new ATOM 0 HA ARG A 79 7.471 -17.978 -4.153 1.00 1.67 H new ATOM 0 HB2 ARG A 79 6.948 -20.731 -4.617 1.00 2.25 H new ATOM 0 HB3 ARG A 79 7.767 -19.607 -5.684 1.00 2.25 H new ATOM 0 HG2 ARG A 79 9.950 -20.132 -4.625 1.00 2.76 H new ATOM 0 HG3 ARG A 79 9.164 -21.172 -3.454 1.00 2.76 H new ATOM 0 HD2 ARG A 79 8.173 -22.300 -5.727 1.00 3.34 H new ATOM 0 HD3 ARG A 79 9.659 -21.647 -6.388 1.00 3.34 H new ATOM 0 HE ARG A 79 10.819 -23.398 -5.271 1.00 3.96 H new ATOM 0 HH11 ARG A 79 7.828 -22.548 -3.658 1.00 4.90 H new ATOM 0 HH12 ARG A 79 8.022 -23.769 -2.395 1.00 4.90 H new ATOM 0 HH21 ARG A 79 11.056 -24.955 -3.654 1.00 5.41 H new ATOM 0 HH22 ARG A 79 9.828 -25.115 -2.393 1.00 5.41 H new TER 1183 ARG A 79 END