USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) HEADER SIGNALLING PROTEIN 30-JUN-92 2PNB TITLE STRUCTURE OF AN SH2 DOMAIN OF THE P85 ALPHA SUBUNIT OF TITLE 2 PHOSPHATIDYLINOSITOL-3-OH KINASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT COMPND 3 N-TERMINAL SH2 DOMAIN; COMPND 4 CHAIN: A; COMPND 5 EC: 2.7.1.137; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS SIGNALLING PROTEIN EXPDTA SOLUTION NMR AUTHOR G.W.BOOKER,A.L.BREEZE,A.K.DOWNING,G.PANAYOTOU,I.GOUT, AUTHOR 2 M.D.WATERFIELD,I.D.CAMPBELL REVDAT 2 24-FEB-09 2PNB 1 VERSN REVDAT 1 31-JAN-94 2PNB 0 JRNL AUTH G.W.BOOKER,A.L.BREEZE,A.K.DOWNING,G.PANAYOTOU, JRNL AUTH 2 I.GOUT,M.D.WATERFIELD,I.D.CAMPBELL JRNL TITL STRUCTURE OF AN SH2 DOMAIN OF THE P85 ALPHA JRNL TITL 2 SUBUNIT OF PHOSPHATIDYLINOSITOL-3-OH KINASE. JRNL REF NATURE V. 358 684 1992 JRNL REFN ISSN 0028-0836 JRNL PMID 1323062 JRNL DOI 10.1038/358684A0 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2PNB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND 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 TRP A 22 CG TRP A 22 CD2 -0.117 REMARK 500 TRP A 24 CG TRP A 24 CD2 -0.129 REMARK 500 HIS A 54 CG HIS A 54 ND1 -0.120 REMARK 500 HIS A 74 CG HIS A 74 ND1 -0.122 REMARK 500 HIS A 96 CG HIS A 96 ND1 -0.120 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 22 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 22 NE1 - CE2 - CZ2 ANGL. DEV. = 9.4 DEGREES REMARK 500 TRP A 22 NE1 - CE2 - CD2 ANGL. DEV. = -7.3 DEGREES REMARK 500 TRP A 24 CG - CD1 - NE1 ANGL. DEV. = -6.7 DEGREES REMARK 500 TRP A 24 NE1 - CE2 - CZ2 ANGL. DEV. = 9.4 DEGREES REMARK 500 TRP A 24 NE1 - CE2 - CD2 ANGL. DEV. = -7.3 DEGREES REMARK 500 TRP A 24 CG - CD2 - CE3 ANGL. DEV. = -5.7 DEGREES REMARK 500 ARG A 29 CG - CD - NE ANGL. DEV. = 17.2 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 ASP A 19 -24.00 -170.09 REMARK 500 ALA A 20 170.78 53.03 REMARK 500 GLU A 21 -63.17 -108.36 REMARK 500 ASP A 26 119.92 68.77 REMARK 500 ILE A 27 -130.52 -140.56 REMARK 500 GLU A 34 -27.73 -36.32 REMARK 500 ASP A 38 76.10 -151.18 REMARK 500 ALA A 40 -169.16 -54.27 REMARK 500 ASP A 41 58.96 -104.94 REMARK 500 ALA A 49 67.24 -103.98 REMARK 500 LYS A 52 -19.49 -172.58 REMARK 500 MET A 53 17.78 49.69 REMARK 500 ASP A 56 -90.02 -85.87 REMARK 500 TYR A 57 -151.94 -138.53 REMARK 500 LYS A 63 45.16 -92.00 REMARK 500 ARG A 75 -67.88 -133.00 REMARK 500 PHE A 81 -29.06 -148.06 REMARK 500 SER A 82 -49.28 -146.23 REMARK 500 PRO A 84 50.44 -69.40 REMARK 500 LEU A 85 82.92 51.97 REMARK 500 THR A 86 -33.12 -149.37 REMARK 500 ASN A 88 20.68 45.71 REMARK 500 LEU A 93 -71.50 -67.36 REMARK 500 ILE A 94 -34.89 -39.73 REMARK 500 GLU A 100 -105.43 -100.53 REMARK 500 SER A 101 136.98 172.60 REMARK 500 TYR A 105 -83.66 -56.35 REMARK 500 PRO A 107 -171.99 -65.26 REMARK 500 LYS A 108 -13.04 56.64 REMARK 500 LEU A 109 -159.72 -151.38 REMARK 500 LEU A 114 39.64 -95.05 REMARK 500 SER A 118 -160.54 -172.39 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 29 0.32 SIDE_CHAIN REMARK 500 ARG A 47 0.29 SIDE_CHAIN REMARK 500 ARG A 62 0.12 SIDE_CHAIN REMARK 500 ARG A 75 0.29 SIDE_CHAIN REMARK 500 ARG A 98 0.14 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: PYB REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2PNA RELATED DB: PDB DBREF 2PNB A 17 120 UNP P23727 P85A_BOVIN 328 431 SEQRES 1 A 104 LEU GLN ASP ALA GLU TRP TYR TRP GLY ASP ILE SER ARG SEQRES 2 A 104 GLU GLU VAL ASN GLU LYS LEU ARG ASP THR ALA ASP GLY SEQRES 3 A 104 THR PHE LEU VAL ARG ASP ALA SER THR LYS MET HIS GLY SEQRES 4 A 104 ASP TYR THR LEU THR LEU ARG LYS GLY GLY ASN ASN LYS SEQRES 5 A 104 LEU ILE LYS ILE PHE HIS ARG ASP GLY LYS TYR GLY PHE SEQRES 6 A 104 SER ASP PRO LEU THR PHE ASN SER VAL VAL GLU LEU ILE SEQRES 7 A 104 ASN HIS TYR ARG ASN GLU SER LEU ALA GLN TYR ASN PRO SEQRES 8 A 104 LYS LEU ASP VAL LYS LEU LEU TYR PRO VAL SER LYS TYR HELIX 1 H1 SER A 28 ARG A 37 1 10 HELIX 2 H2 SER A 89 GLU A 100 1 12 SHEET 1 B1 3 THR A 43 ARG A 47 0 SHEET 2 B1 3 THR A 58 ARG A 62 -1 N THR A 58 O ARG A 47 SHEET 3 B1 3 ASN A 67 LYS A 71 -1 N LYS A 68 O LEU A 61 SHEET 1 B2 2 ILE A 72 HIS A 74 0 SHEET 2 B2 2 TYR A 79 PHE A 81 -1 N GLY A 80 O PHE A 73 SHEET 1 B3 2 SER A 101 ALA A 103 0 SHEET 2 B3 2 ASP A 110 LYS A 112 -1 N VAL A 111 O LEU A 102 SITE *** PYB 3 ARG A 29 ARG A 47 LEU A 69 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot 10:sc= 0.0412 USER MOD Set 1.2: A 104 GLN :FLIP amide:sc= -0.332 F(o=-5.5!,f=-0.29) USER MOD Set 2.1: A 88 ASN :FLIP amide:sc= -4.06! C(o=-6.1!,f=-4.9!) USER MOD Set 2.2: A 89 SER OG : rot 55:sc= -0.888! USER MOD Set 3.1: A 66 ASN :FLIP amide:sc= -0.0419 F(o=-2.9!,f=-1.3) USER MOD Set 3.2: A 67 ASN : amide:sc= -1.3! C(o=-1.3!,f=-5.4!) USER MOD Set 4.1: A 39 THR OG1 : rot 110:sc= -0.199 USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 100:sc= -3.13! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.687 K(o=-0.69,f=-4.4!) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.136) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 51 THR OG1 : rot -76:sc= 1.11 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0727 (180deg=-0.64) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 38:sc= 0.133 USER MOD Single : A 60 THR OG1 : rot 97:sc= -2.64! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -9.07! C(o=-9.1!,f=-15!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 38:sc= 0.928 USER MOD Single : A 82 SER OG : rot 180:sc= -0.788 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 95 ASN : amide:sc= -1.23! C(o=-1.2!,f=-2.5!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.1) USER MOD Single : A 101 SER OG : rot 84:sc= 0.694 USER MOD Single : A 105 TYR OH : rot 67:sc= 0.301 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 140:sc= -2.36! (180deg=-4.57!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 128:sc= 0.406 USER MOD Single : A 119 LYS NZ :NH3+ 131:sc= -0.206 (180deg=-1.2!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.511 -9.532 -14.592 1.00 0.00 N ATOM 2 CA LEU A 17 2.408 -8.749 -13.711 1.00 0.00 C ATOM 3 C LEU A 17 3.825 -9.293 -13.815 1.00 0.00 C ATOM 4 O LEU A 17 4.377 -9.808 -12.865 1.00 0.00 O ATOM 5 CB LEU A 17 1.922 -8.864 -12.242 1.00 0.00 C ATOM 6 CG LEU A 17 2.390 -7.638 -11.406 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.342 -7.345 -10.332 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.737 -7.935 -10.725 1.00 0.00 C ATOM 0 HA LEU A 17 2.394 -7.704 -14.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.834 -8.932 -12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.308 -9.781 -11.798 1.00 0.00 H new ATOM 0 HG LEU A 17 2.510 -6.780 -12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.659 -6.487 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.386 -7.125 -10.807 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.233 -8.214 -9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.050 -7.067 -10.144 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.629 -8.795 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.488 -8.154 -11.484 1.00 0.00 H new ATOM 22 N GLN A 18 4.384 -9.176 -14.979 1.00 0.00 N ATOM 23 CA GLN A 18 5.761 -9.674 -15.175 1.00 0.00 C ATOM 24 C GLN A 18 6.746 -8.703 -14.568 1.00 0.00 C ATOM 25 O GLN A 18 7.882 -9.041 -14.297 1.00 0.00 O ATOM 26 CB GLN A 18 6.032 -9.786 -16.684 1.00 0.00 C ATOM 27 CG GLN A 18 4.793 -10.358 -17.376 1.00 0.00 C ATOM 28 CD GLN A 18 5.184 -10.892 -18.755 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.571 -10.148 -19.635 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.098 -12.174 -18.987 1.00 0.00 N ATOM 0 H GLN A 18 3.947 -8.758 -15.800 1.00 0.00 H new ATOM 0 HA GLN A 18 5.872 -10.647 -14.696 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.274 -8.806 -17.096 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.893 -10.429 -16.864 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.362 -11.157 -16.773 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.029 -9.587 -17.475 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.774 -12.804 -18.253 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.355 -12.545 -19.902 1.00 0.00 H new ATOM 39 N ASP A 19 6.288 -7.504 -14.365 1.00 0.00 N ATOM 40 CA ASP A 19 7.160 -6.481 -13.781 1.00 0.00 C ATOM 41 C ASP A 19 6.362 -5.247 -13.412 1.00 0.00 C ATOM 42 O ASP A 19 6.750 -4.481 -12.553 1.00 0.00 O ATOM 43 CB ASP A 19 8.189 -6.095 -14.828 1.00 0.00 C ATOM 44 CG ASP A 19 9.593 -6.210 -14.233 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.114 -7.312 -14.285 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.066 -5.189 -13.761 1.00 0.00 O ATOM 0 H ASP A 19 5.340 -7.196 -14.583 1.00 0.00 H new ATOM 0 HA ASP A 19 7.633 -6.876 -12.882 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.098 -6.744 -15.699 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.010 -5.076 -15.170 1.00 0.00 H new ATOM 51 N ALA A 20 5.252 -5.082 -14.069 1.00 0.00 N ATOM 52 CA ALA A 20 4.391 -3.898 -13.783 1.00 0.00 C ATOM 53 C ALA A 20 5.201 -2.604 -13.880 1.00 0.00 C ATOM 54 O ALA A 20 6.411 -2.641 -13.992 1.00 0.00 O ATOM 55 CB ALA A 20 3.829 -4.029 -12.358 1.00 0.00 C ATOM 0 H ALA A 20 4.901 -5.712 -14.790 1.00 0.00 H new ATOM 0 HA ALA A 20 3.584 -3.862 -14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.197 -3.169 -12.136 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.239 -4.942 -12.282 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.652 -4.069 -11.644 1.00 0.00 H new ATOM 61 N GLU A 21 4.515 -1.478 -13.834 1.00 0.00 N ATOM 62 CA GLU A 21 5.230 -0.173 -13.921 1.00 0.00 C ATOM 63 C GLU A 21 5.218 0.530 -12.572 1.00 0.00 C ATOM 64 O GLU A 21 6.254 0.755 -11.976 1.00 0.00 O ATOM 65 CB GLU A 21 4.502 0.710 -14.949 1.00 0.00 C ATOM 66 CG GLU A 21 3.938 -0.177 -16.061 1.00 0.00 C ATOM 67 CD GLU A 21 3.442 0.702 -17.209 1.00 0.00 C ATOM 68 OE1 GLU A 21 2.477 1.409 -16.970 1.00 0.00 O ATOM 69 OE2 GLU A 21 4.055 0.618 -18.260 1.00 0.00 O ATOM 0 H GLU A 21 3.501 -1.415 -13.741 1.00 0.00 H new ATOM 0 HA GLU A 21 6.264 -0.346 -14.219 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.697 1.264 -14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.190 1.445 -15.367 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.706 -0.863 -16.419 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.121 -0.787 -15.676 1.00 0.00 H new ATOM 76 N TRP A 22 4.044 0.865 -12.113 1.00 0.00 N ATOM 77 CA TRP A 22 3.941 1.554 -10.801 1.00 0.00 C ATOM 78 C TRP A 22 4.832 0.873 -9.780 1.00 0.00 C ATOM 79 O TRP A 22 5.425 1.510 -8.932 1.00 0.00 O ATOM 80 CB TRP A 22 2.489 1.478 -10.326 1.00 0.00 C ATOM 81 CG TRP A 22 1.606 1.011 -11.495 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.101 1.826 -12.399 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.290 -0.238 -11.759 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.454 1.012 -13.246 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.526 -0.321 -12.910 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.604 -1.395 -11.073 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.087 -1.541 -13.361 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.161 -2.608 -11.526 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.406 -2.682 -12.667 1.00 0.00 C ATOM 0 H TRP A 22 3.158 0.692 -12.588 1.00 0.00 H new ATOM 0 HA TRP A 22 4.256 2.592 -10.909 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.402 0.786 -9.488 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.158 2.453 -9.969 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.188 2.901 -12.447 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.047 1.351 -14.067 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.202 -1.342 -10.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.508 -1.603 -14.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.407 -3.509 -10.983 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.060 -3.642 -13.022 1.00 0.00 H new ATOM 100 N TYR A 23 4.903 -0.415 -9.888 1.00 0.00 N ATOM 101 CA TYR A 23 5.743 -1.198 -8.949 1.00 0.00 C ATOM 102 C TYR A 23 7.148 -1.342 -9.515 1.00 0.00 C ATOM 103 O TYR A 23 7.319 -1.648 -10.679 1.00 0.00 O ATOM 104 CB TYR A 23 5.117 -2.603 -8.803 1.00 0.00 C ATOM 105 CG TYR A 23 3.667 -2.540 -8.217 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.062 -1.340 -7.801 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.936 -3.709 -8.112 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.773 -1.345 -7.305 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.650 -3.698 -7.614 1.00 0.00 C ATOM 110 CZ TYR A 23 1.061 -2.521 -7.209 1.00 0.00 C ATOM 111 OH TYR A 23 -0.226 -2.519 -6.707 1.00 0.00 O ATOM 0 H TYR A 23 4.412 -0.966 -10.592 1.00 0.00 H new ATOM 0 HA TYR A 23 5.794 -0.693 -7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.094 -3.093 -9.777 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.744 -3.214 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.608 -0.411 -7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.378 -4.644 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.318 -0.418 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.098 -4.624 -7.541 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.866 -2.547 -7.448 1.00 0.00 H new ATOM 121 N TRP A 24 8.136 -1.122 -8.687 1.00 0.00 N ATOM 122 CA TRP A 24 9.529 -1.245 -9.184 1.00 0.00 C ATOM 123 C TRP A 24 10.029 -2.666 -9.022 1.00 0.00 C ATOM 124 O TRP A 24 10.796 -3.157 -9.827 1.00 0.00 O ATOM 125 CB TRP A 24 10.447 -0.324 -8.354 1.00 0.00 C ATOM 126 CG TRP A 24 9.923 1.126 -8.339 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.801 1.556 -8.920 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.522 2.100 -7.715 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.759 2.859 -8.591 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.824 3.281 -7.827 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.708 2.063 -7.016 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.307 4.424 -7.244 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.197 3.209 -6.431 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.496 4.391 -6.544 1.00 0.00 C ATOM 0 H TRP A 24 8.037 -0.867 -7.704 1.00 0.00 H new ATOM 0 HA TRP A 24 9.544 -0.967 -10.238 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.514 -0.699 -7.333 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.455 -0.344 -8.768 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.096 0.992 -9.513 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.004 3.480 -8.882 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.254 1.135 -6.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.757 5.350 -7.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.128 3.182 -5.884 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.877 5.291 -6.085 1.00 0.00 H new ATOM 145 N GLY A 25 9.581 -3.298 -7.984 1.00 0.00 N ATOM 146 CA GLY A 25 10.009 -4.703 -7.729 1.00 0.00 C ATOM 147 C GLY A 25 10.260 -4.906 -6.242 1.00 0.00 C ATOM 148 O GLY A 25 11.152 -5.628 -5.852 1.00 0.00 O ATOM 0 H GLY A 25 8.936 -2.908 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.241 -5.395 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.915 -4.925 -8.293 1.00 0.00 H new ATOM 152 N ASP A 26 9.471 -4.254 -5.449 1.00 0.00 N ATOM 153 CA ASP A 26 9.626 -4.379 -3.979 1.00 0.00 C ATOM 154 C ASP A 26 10.924 -3.725 -3.507 1.00 0.00 C ATOM 155 O ASP A 26 12.003 -4.086 -3.938 1.00 0.00 O ATOM 156 CB ASP A 26 9.619 -5.892 -3.613 1.00 0.00 C ATOM 157 CG ASP A 26 11.046 -6.406 -3.357 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.617 -5.963 -2.374 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.477 -7.221 -4.154 1.00 0.00 O ATOM 0 H ASP A 26 8.720 -3.635 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 26 8.802 -3.867 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.007 -6.052 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.163 -6.463 -4.422 1.00 0.00 H new ATOM 164 N ILE A 27 10.789 -2.740 -2.645 1.00 0.00 N ATOM 165 CA ILE A 27 12.003 -2.045 -2.129 1.00 0.00 C ATOM 166 C ILE A 27 11.847 -1.729 -0.634 1.00 0.00 C ATOM 167 O ILE A 27 11.491 -2.590 0.145 1.00 0.00 O ATOM 168 CB ILE A 27 12.234 -0.725 -2.912 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.988 0.206 -2.849 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.580 -1.060 -4.386 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.987 -0.082 -3.991 1.00 0.00 C ATOM 0 H ILE A 27 9.900 -2.395 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 27 12.860 -2.704 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 27 13.063 -0.190 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.488 0.077 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.310 1.246 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.743 -0.136 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.485 -1.667 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.756 -1.613 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.134 0.592 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.477 0.073 -4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.643 -1.114 -3.921 1.00 0.00 H new ATOM 183 N SER A 28 12.114 -0.501 -0.261 1.00 0.00 N ATOM 184 CA SER A 28 11.983 -0.131 1.169 1.00 0.00 C ATOM 185 C SER A 28 11.582 1.333 1.313 1.00 0.00 C ATOM 186 O SER A 28 11.487 2.052 0.339 1.00 0.00 O ATOM 187 CB SER A 28 13.344 -0.337 1.849 1.00 0.00 C ATOM 188 OG SER A 28 14.242 0.448 1.076 1.00 0.00 O ATOM 0 H SER A 28 12.414 0.250 -0.883 1.00 0.00 H new ATOM 0 HA SER A 28 11.215 -0.753 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.323 -0.011 2.889 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.634 -1.388 1.851 1.00 0.00 H new ATOM 0 HG SER A 28 15.145 0.373 1.448 1.00 0.00 H new ATOM 194 N ARG A 29 11.352 1.746 2.527 1.00 0.00 N ATOM 195 CA ARG A 29 10.957 3.157 2.754 1.00 0.00 C ATOM 196 C ARG A 29 12.018 4.097 2.231 1.00 0.00 C ATOM 197 O ARG A 29 11.725 5.195 1.806 1.00 0.00 O ATOM 198 CB ARG A 29 10.797 3.385 4.260 1.00 0.00 C ATOM 199 CG ARG A 29 10.541 2.046 4.953 1.00 0.00 C ATOM 200 CD ARG A 29 9.967 2.308 6.346 1.00 0.00 C ATOM 201 NE ARG A 29 9.973 1.422 7.543 1.00 0.00 N ATOM 202 CZ ARG A 29 11.080 1.261 8.215 1.00 0.00 C ATOM 203 NH1 ARG A 29 11.363 2.100 9.173 1.00 0.00 N ATOM 204 NH2 ARG A 29 11.867 0.267 7.904 1.00 0.00 N ATOM 0 H ARG A 29 11.421 1.169 3.366 1.00 0.00 H new ATOM 0 HA ARG A 29 10.021 3.353 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.695 3.851 4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.970 4.069 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.846 1.445 4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.468 1.478 5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.447 3.229 6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.916 2.540 6.176 1.00 0.00 H new ATOM 0 HE ARG A 29 9.120 0.945 7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.724 2.866 9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.224 1.990 9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.612 -0.368 7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.737 0.125 8.418 1.00 0.00 H new ATOM 218 N GLU A 30 13.230 3.652 2.266 1.00 0.00 N ATOM 219 CA GLU A 30 14.325 4.509 1.772 1.00 0.00 C ATOM 220 C GLU A 30 14.085 4.885 0.321 1.00 0.00 C ATOM 221 O GLU A 30 14.038 6.044 -0.016 1.00 0.00 O ATOM 222 CB GLU A 30 15.644 3.731 1.878 1.00 0.00 C ATOM 223 CG GLU A 30 15.749 3.114 3.270 1.00 0.00 C ATOM 224 CD GLU A 30 17.152 2.539 3.462 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.819 2.393 2.452 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.478 2.279 4.609 1.00 0.00 O ATOM 0 H GLU A 30 13.511 2.735 2.614 1.00 0.00 H new ATOM 0 HA GLU A 30 14.369 5.419 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.683 2.951 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.488 4.396 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.545 3.867 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.002 2.329 3.390 1.00 0.00 H new ATOM 233 N GLU A 31 13.922 3.894 -0.513 1.00 0.00 N ATOM 234 CA GLU A 31 13.685 4.186 -1.944 1.00 0.00 C ATOM 235 C GLU A 31 12.330 4.831 -2.131 1.00 0.00 C ATOM 236 O GLU A 31 12.227 5.942 -2.615 1.00 0.00 O ATOM 237 CB GLU A 31 13.694 2.863 -2.706 1.00 0.00 C ATOM 238 CG GLU A 31 15.117 2.542 -3.141 1.00 0.00 C ATOM 239 CD GLU A 31 15.417 3.249 -4.465 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.251 4.458 -4.485 1.00 0.00 O ATOM 241 OE2 GLU A 31 15.797 2.541 -5.384 1.00 0.00 O ATOM 0 H GLU A 31 13.943 2.905 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 31 14.459 4.862 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.306 2.064 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.041 2.927 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.824 2.864 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.240 1.465 -3.255 1.00 0.00 H new ATOM 248 N VAL A 32 11.312 4.112 -1.747 1.00 0.00 N ATOM 249 CA VAL A 32 9.937 4.652 -1.886 1.00 0.00 C ATOM 250 C VAL A 32 9.900 6.116 -1.465 1.00 0.00 C ATOM 251 O VAL A 32 9.682 6.996 -2.272 1.00 0.00 O ATOM 252 CB VAL A 32 9.022 3.849 -0.950 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.748 4.657 -0.663 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.655 2.522 -1.624 1.00 0.00 C ATOM 0 H VAL A 32 11.375 3.177 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 32 9.612 4.574 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 32 9.537 3.649 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.098 4.088 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.015 5.601 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.225 4.857 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.005 1.947 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.136 2.721 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.563 1.953 -1.826 1.00 0.00 H new ATOM 264 N ASN A 33 10.124 6.345 -0.202 1.00 0.00 N ATOM 265 CA ASN A 33 10.111 7.742 0.312 1.00 0.00 C ATOM 266 C ASN A 33 10.995 8.664 -0.529 1.00 0.00 C ATOM 267 O ASN A 33 10.507 9.572 -1.173 1.00 0.00 O ATOM 268 CB ASN A 33 10.661 7.728 1.744 1.00 0.00 C ATOM 269 CG ASN A 33 10.331 9.057 2.426 1.00 0.00 C ATOM 270 OD1 ASN A 33 10.326 10.102 1.806 1.00 0.00 O ATOM 271 ND2 ASN A 33 10.048 9.061 3.700 1.00 0.00 N ATOM 0 H ASN A 33 10.315 5.626 0.496 1.00 0.00 H new ATOM 0 HA ASN A 33 9.088 8.115 0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.226 6.901 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.740 7.571 1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.824 9.938 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.051 8.187 4.226 1.00 0.00 H new ATOM 278 N GLU A 34 12.283 8.412 -0.491 1.00 0.00 N ATOM 279 CA GLU A 34 13.239 9.258 -1.278 1.00 0.00 C ATOM 280 C GLU A 34 12.656 9.689 -2.611 1.00 0.00 C ATOM 281 O GLU A 34 13.016 10.721 -3.142 1.00 0.00 O ATOM 282 CB GLU A 34 14.508 8.442 -1.552 1.00 0.00 C ATOM 283 CG GLU A 34 15.351 8.380 -0.277 1.00 0.00 C ATOM 284 CD GLU A 34 16.356 7.234 -0.392 1.00 0.00 C ATOM 285 OE1 GLU A 34 16.978 7.164 -1.440 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.446 6.493 0.572 1.00 0.00 O ATOM 0 H GLU A 34 12.713 7.660 0.048 1.00 0.00 H new ATOM 0 HA GLU A 34 13.453 10.152 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.244 7.436 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.081 8.898 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.874 9.324 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.709 8.230 0.591 1.00 0.00 H new ATOM 293 N LYS A 35 11.772 8.899 -3.127 1.00 0.00 N ATOM 294 CA LYS A 35 11.156 9.250 -4.428 1.00 0.00 C ATOM 295 C LYS A 35 9.845 9.971 -4.227 1.00 0.00 C ATOM 296 O LYS A 35 9.492 10.856 -4.979 1.00 0.00 O ATOM 297 CB LYS A 35 10.889 7.965 -5.190 1.00 0.00 C ATOM 298 CG LYS A 35 11.254 8.166 -6.660 1.00 0.00 C ATOM 299 CD LYS A 35 10.336 9.233 -7.272 1.00 0.00 C ATOM 300 CE LYS A 35 10.415 9.144 -8.798 1.00 0.00 C ATOM 301 NZ LYS A 35 11.805 9.414 -9.263 1.00 0.00 N ATOM 0 H LYS A 35 11.448 8.027 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 35 11.834 9.904 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.474 7.149 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.839 7.686 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.296 8.473 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.151 7.227 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.309 9.082 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.637 10.226 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.100 8.154 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.729 9.862 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.801 9.585 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.178 10.252 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.407 8.593 -9.051 1.00 0.00 H new ATOM 315 N LEU A 36 9.150 9.580 -3.216 1.00 0.00 N ATOM 316 CA LEU A 36 7.848 10.223 -2.933 1.00 0.00 C ATOM 317 C LEU A 36 8.018 11.440 -2.030 1.00 0.00 C ATOM 318 O LEU A 36 7.050 12.059 -1.635 1.00 0.00 O ATOM 319 CB LEU A 36 6.956 9.202 -2.214 1.00 0.00 C ATOM 320 CG LEU A 36 6.095 8.474 -3.245 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.996 7.697 -4.202 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.161 7.495 -2.529 1.00 0.00 C ATOM 0 H LEU A 36 9.423 8.841 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 36 7.404 10.550 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.570 8.488 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.323 9.705 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 36 5.506 9.202 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.383 7.177 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.667 8.388 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.583 6.970 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.546 6.975 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.753 6.769 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.518 8.043 -1.841 1.00 0.00 H new ATOM 334 N ARG A 37 9.244 11.765 -1.717 1.00 0.00 N ATOM 335 CA ARG A 37 9.477 12.939 -0.842 1.00 0.00 C ATOM 336 C ARG A 37 9.370 14.234 -1.642 1.00 0.00 C ATOM 337 O ARG A 37 9.301 15.312 -1.085 1.00 0.00 O ATOM 338 CB ARG A 37 10.891 12.825 -0.230 1.00 0.00 C ATOM 339 CG ARG A 37 11.952 13.052 -1.314 1.00 0.00 C ATOM 340 CD ARG A 37 12.535 14.459 -1.153 1.00 0.00 C ATOM 341 NE ARG A 37 13.453 14.740 -2.292 1.00 0.00 N ATOM 342 CZ ARG A 37 14.380 15.649 -2.157 1.00 0.00 C ATOM 343 NH1 ARG A 37 14.344 16.437 -1.116 1.00 0.00 N ATOM 344 NH2 ARG A 37 15.312 15.739 -3.068 1.00 0.00 N ATOM 0 H ARG A 37 10.082 11.272 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 37 8.723 12.958 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.011 13.558 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.023 11.841 0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.742 12.305 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.510 12.939 -2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.733 15.197 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.073 14.537 -0.208 1.00 0.00 H new ATOM 0 HE ARG A 37 13.358 14.227 -3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.600 16.336 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.060 17.153 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.307 15.105 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.045 16.443 -2.980 1.00 0.00 H new ATOM 358 N ASP A 38 9.359 14.096 -2.937 1.00 0.00 N ATOM 359 CA ASP A 38 9.258 15.292 -3.805 1.00 0.00 C ATOM 360 C ASP A 38 8.573 14.947 -5.121 1.00 0.00 C ATOM 361 O ASP A 38 9.218 14.821 -6.144 1.00 0.00 O ATOM 362 CB ASP A 38 10.674 15.789 -4.105 1.00 0.00 C ATOM 363 CG ASP A 38 10.606 16.939 -5.111 1.00 0.00 C ATOM 364 OD1 ASP A 38 9.519 17.479 -5.243 1.00 0.00 O ATOM 365 OD2 ASP A 38 11.643 17.214 -5.691 1.00 0.00 O ATOM 0 H ASP A 38 9.416 13.204 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 38 8.672 16.056 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.156 16.123 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.279 14.976 -4.506 1.00 0.00 H new ATOM 370 N THR A 39 7.277 14.798 -5.075 1.00 0.00 N ATOM 371 CA THR A 39 6.538 14.461 -6.316 1.00 0.00 C ATOM 372 C THR A 39 5.162 15.117 -6.324 1.00 0.00 C ATOM 373 O THR A 39 4.846 15.913 -5.462 1.00 0.00 O ATOM 374 CB THR A 39 6.364 12.939 -6.374 1.00 0.00 C ATOM 375 OG1 THR A 39 6.559 12.490 -5.048 1.00 0.00 O ATOM 376 CG2 THR A 39 7.506 12.291 -7.171 1.00 0.00 C ATOM 0 H THR A 39 6.705 14.895 -4.236 1.00 0.00 H new ATOM 0 HA THR A 39 7.100 14.825 -7.177 1.00 0.00 H new ATOM 0 HB THR A 39 5.399 12.693 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.706 12.181 -4.678 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.363 11.211 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.509 12.684 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.458 12.518 -6.692 1.00 0.00 H new ATOM 384 N ALA A 40 4.366 14.773 -7.301 1.00 0.00 N ATOM 385 CA ALA A 40 3.009 15.368 -7.382 1.00 0.00 C ATOM 386 C ALA A 40 2.243 15.164 -6.080 1.00 0.00 C ATOM 387 O ALA A 40 2.808 14.756 -5.085 1.00 0.00 O ATOM 388 CB ALA A 40 2.242 14.677 -8.521 1.00 0.00 C ATOM 0 H ALA A 40 4.598 14.110 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 40 3.104 16.438 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.241 15.102 -8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.772 14.829 -9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.168 13.609 -8.315 1.00 0.00 H new ATOM 394 N ASP A 41 0.965 15.453 -6.118 1.00 0.00 N ATOM 395 CA ASP A 41 0.130 15.288 -4.900 1.00 0.00 C ATOM 396 C ASP A 41 -0.749 14.052 -5.010 1.00 0.00 C ATOM 397 O ASP A 41 -1.959 14.139 -4.944 1.00 0.00 O ATOM 398 CB ASP A 41 -0.773 16.524 -4.764 1.00 0.00 C ATOM 399 CG ASP A 41 -1.458 16.504 -3.395 1.00 0.00 C ATOM 400 OD1 ASP A 41 -0.862 17.052 -2.483 1.00 0.00 O ATOM 401 OD2 ASP A 41 -2.541 15.941 -3.341 1.00 0.00 O ATOM 0 H ASP A 41 0.470 15.795 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 41 0.781 15.177 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.183 17.434 -4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.521 16.531 -5.557 1.00 0.00 H new ATOM 406 N GLY A 42 -0.125 12.921 -5.176 1.00 0.00 N ATOM 407 CA GLY A 42 -0.913 11.661 -5.294 1.00 0.00 C ATOM 408 C GLY A 42 -0.123 10.612 -6.075 1.00 0.00 C ATOM 409 O GLY A 42 -0.486 10.255 -7.179 1.00 0.00 O ATOM 0 H GLY A 42 0.888 12.813 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.153 11.280 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.859 11.862 -5.796 1.00 0.00 H new ATOM 413 N THR A 43 0.944 10.138 -5.483 1.00 0.00 N ATOM 414 CA THR A 43 1.773 9.113 -6.173 1.00 0.00 C ATOM 415 C THR A 43 1.464 7.720 -5.634 1.00 0.00 C ATOM 416 O THR A 43 0.759 7.585 -4.657 1.00 0.00 O ATOM 417 CB THR A 43 3.236 9.427 -5.881 1.00 0.00 C ATOM 418 OG1 THR A 43 3.296 10.831 -5.737 1.00 0.00 O ATOM 419 CG2 THR A 43 4.124 9.122 -7.093 1.00 0.00 C ATOM 0 H THR A 43 1.272 10.416 -4.558 1.00 0.00 H new ATOM 0 HA THR A 43 1.561 9.133 -7.242 1.00 0.00 H new ATOM 0 HB THR A 43 3.567 8.849 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.218 11.101 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.161 9.357 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.041 8.066 -7.348 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.803 9.727 -7.941 1.00 0.00 H new ATOM 427 N PHE A 44 1.996 6.695 -6.273 1.00 0.00 N ATOM 428 CA PHE A 44 1.713 5.326 -5.768 1.00 0.00 C ATOM 429 C PHE A 44 2.618 4.259 -6.368 1.00 0.00 C ATOM 430 O PHE A 44 2.760 4.146 -7.569 1.00 0.00 O ATOM 431 CB PHE A 44 0.248 4.979 -6.081 1.00 0.00 C ATOM 432 CG PHE A 44 0.027 4.871 -7.597 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.087 5.993 -8.405 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.311 3.657 -8.170 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.196 5.898 -9.749 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.594 3.574 -9.514 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.536 4.685 -10.299 1.00 0.00 C ATOM 0 H PHE A 44 2.595 6.753 -7.097 1.00 0.00 H new ATOM 0 HA PHE A 44 1.905 5.332 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.018 4.037 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.409 5.744 -5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.357 6.948 -7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.353 2.768 -7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.151 6.779 -10.373 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.864 2.623 -9.948 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.757 4.613 -11.354 1.00 0.00 H new ATOM 447 N LEU A 45 3.216 3.492 -5.486 1.00 0.00 N ATOM 448 CA LEU A 45 4.124 2.406 -5.919 1.00 0.00 C ATOM 449 C LEU A 45 3.976 1.213 -4.955 1.00 0.00 C ATOM 450 O LEU A 45 3.001 1.142 -4.229 1.00 0.00 O ATOM 451 CB LEU A 45 5.579 2.922 -5.911 1.00 0.00 C ATOM 452 CG LEU A 45 5.782 3.926 -4.776 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.414 3.280 -3.443 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.252 4.325 -4.738 1.00 0.00 C ATOM 0 H LEU A 45 3.106 3.581 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 45 3.869 2.085 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.268 2.085 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.810 3.392 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 45 5.151 4.799 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.560 3.999 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.370 2.968 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.049 2.410 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.414 5.042 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.865 3.440 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.531 4.779 -5.689 1.00 0.00 H new ATOM 466 N VAL A 46 4.936 0.302 -4.955 1.00 0.00 N ATOM 467 CA VAL A 46 4.831 -0.882 -4.030 1.00 0.00 C ATOM 468 C VAL A 46 5.938 -0.883 -2.979 1.00 0.00 C ATOM 469 O VAL A 46 6.997 -0.330 -3.179 1.00 0.00 O ATOM 470 CB VAL A 46 4.914 -2.187 -4.893 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.973 -3.169 -4.344 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.559 -2.885 -4.853 1.00 0.00 C ATOM 0 H VAL A 46 5.769 0.327 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 46 3.882 -0.829 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 46 5.193 -1.904 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.000 -4.061 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.952 -2.690 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.715 -3.449 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.601 -3.796 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.310 -3.138 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.796 -2.221 -5.258 1.00 0.00 H new ATOM 482 N ARG A 47 5.647 -1.518 -1.871 1.00 0.00 N ATOM 483 CA ARG A 47 6.627 -1.604 -0.763 1.00 0.00 C ATOM 484 C ARG A 47 6.833 -3.068 -0.414 1.00 0.00 C ATOM 485 O ARG A 47 5.886 -3.779 -0.146 1.00 0.00 O ATOM 486 CB ARG A 47 6.054 -0.881 0.465 1.00 0.00 C ATOM 487 CG ARG A 47 7.195 -0.281 1.287 1.00 0.00 C ATOM 488 CD ARG A 47 8.178 -1.387 1.672 1.00 0.00 C ATOM 489 NE ARG A 47 8.978 -0.936 2.843 1.00 0.00 N ATOM 490 CZ ARG A 47 8.991 -1.662 3.924 1.00 0.00 C ATOM 491 NH1 ARG A 47 9.555 -2.840 3.884 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.441 -1.189 5.008 1.00 0.00 N ATOM 0 H ARG A 47 4.758 -1.984 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 47 7.571 -1.147 -1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.368 -0.095 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.481 -1.579 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.706 0.491 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.800 0.198 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.639 -2.303 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.835 -1.616 0.833 1.00 0.00 H new ATOM 0 HE ARG A 47 9.511 -0.067 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.975 -3.175 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.576 -3.424 4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.010 -0.265 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.442 -1.744 5.864 1.00 0.00 H new ATOM 506 N ASP A 48 8.050 -3.495 -0.419 1.00 0.00 N ATOM 507 CA ASP A 48 8.316 -4.913 -0.090 1.00 0.00 C ATOM 508 C ASP A 48 7.832 -5.284 1.310 1.00 0.00 C ATOM 509 O ASP A 48 8.150 -4.621 2.278 1.00 0.00 O ATOM 510 CB ASP A 48 9.830 -5.145 -0.172 1.00 0.00 C ATOM 511 CG ASP A 48 10.123 -6.649 -0.269 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.220 -7.357 -0.684 1.00 0.00 O ATOM 513 OD2 ASP A 48 11.239 -7.003 0.077 1.00 0.00 O ATOM 0 H ASP A 48 8.872 -2.930 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 48 7.773 -5.537 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.239 -4.629 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.319 -4.726 0.707 1.00 0.00 H new ATOM 518 N ALA A 49 7.066 -6.350 1.380 1.00 0.00 N ATOM 519 CA ALA A 49 6.541 -6.802 2.696 1.00 0.00 C ATOM 520 C ALA A 49 7.309 -8.022 3.194 1.00 0.00 C ATOM 521 O ALA A 49 6.765 -9.105 3.278 1.00 0.00 O ATOM 522 CB ALA A 49 5.069 -7.204 2.517 1.00 0.00 C ATOM 0 H ALA A 49 6.787 -6.920 0.582 1.00 0.00 H new ATOM 0 HA ALA A 49 6.650 -5.992 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.665 -7.539 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.498 -6.346 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.999 -8.013 1.789 1.00 0.00 H new ATOM 528 N SER A 50 8.559 -7.829 3.513 1.00 0.00 N ATOM 529 CA SER A 50 9.364 -8.975 4.004 1.00 0.00 C ATOM 530 C SER A 50 9.167 -9.171 5.501 1.00 0.00 C ATOM 531 O SER A 50 10.025 -9.709 6.174 1.00 0.00 O ATOM 532 CB SER A 50 10.848 -8.680 3.736 1.00 0.00 C ATOM 533 OG SER A 50 11.221 -7.794 4.782 1.00 0.00 O ATOM 0 H SER A 50 9.051 -6.937 3.455 1.00 0.00 H new ATOM 0 HA SER A 50 9.046 -9.880 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.445 -9.592 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.993 -8.224 2.757 1.00 0.00 H new ATOM 0 HG SER A 50 12.166 -7.554 4.686 1.00 0.00 H new ATOM 539 N THR A 51 8.034 -8.734 5.991 1.00 0.00 N ATOM 540 CA THR A 51 7.749 -8.881 7.445 1.00 0.00 C ATOM 541 C THR A 51 6.691 -9.950 7.693 1.00 0.00 C ATOM 542 O THR A 51 5.843 -9.797 8.548 1.00 0.00 O ATOM 543 CB THR A 51 7.217 -7.541 7.961 1.00 0.00 C ATOM 544 OG1 THR A 51 6.900 -7.763 9.320 1.00 0.00 O ATOM 545 CG2 THR A 51 5.872 -7.198 7.302 1.00 0.00 C ATOM 0 H THR A 51 7.298 -8.284 5.447 1.00 0.00 H new ATOM 0 HA THR A 51 8.665 -9.174 7.959 1.00 0.00 H new ATOM 0 HB THR A 51 7.948 -6.755 7.771 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.064 -8.270 9.382 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.513 -6.242 7.684 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.002 -7.132 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.145 -7.977 7.532 1.00 0.00 H new ATOM 553 N LYS A 52 6.759 -11.018 6.942 1.00 0.00 N ATOM 554 CA LYS A 52 5.757 -12.099 7.133 1.00 0.00 C ATOM 555 C LYS A 52 6.106 -13.328 6.301 1.00 0.00 C ATOM 556 O LYS A 52 5.634 -14.414 6.570 1.00 0.00 O ATOM 557 CB LYS A 52 4.388 -11.573 6.684 1.00 0.00 C ATOM 558 CG LYS A 52 3.378 -11.781 7.813 1.00 0.00 C ATOM 559 CD LYS A 52 2.023 -11.220 7.384 1.00 0.00 C ATOM 560 CE LYS A 52 0.973 -11.585 8.435 1.00 0.00 C ATOM 561 NZ LYS A 52 1.477 -11.274 9.804 1.00 0.00 N ATOM 0 H LYS A 52 7.455 -11.185 6.216 1.00 0.00 H new ATOM 0 HA LYS A 52 5.746 -12.386 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.456 -10.515 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.061 -12.096 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.288 -12.842 8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.721 -11.283 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.083 -10.137 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.739 -11.625 6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.052 -11.033 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.730 -12.645 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.674 -11.199 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.114 -12.033 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.995 -10.372 9.787 1.00 0.00 H new ATOM 575 N MET A 53 6.924 -13.137 5.303 1.00 0.00 N ATOM 576 CA MET A 53 7.305 -14.289 4.451 1.00 0.00 C ATOM 577 C MET A 53 6.069 -15.060 3.999 1.00 0.00 C ATOM 578 O MET A 53 6.166 -16.195 3.574 1.00 0.00 O ATOM 579 CB MET A 53 8.196 -15.228 5.280 1.00 0.00 C ATOM 580 CG MET A 53 9.397 -14.444 5.812 1.00 0.00 C ATOM 581 SD MET A 53 10.854 -15.395 6.311 1.00 0.00 S ATOM 582 CE MET A 53 11.870 -13.993 6.839 1.00 0.00 C ATOM 0 H MET A 53 7.339 -12.242 5.045 1.00 0.00 H new ATOM 0 HA MET A 53 7.831 -13.923 3.569 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.627 -15.651 6.108 1.00 0.00 H new ATOM 0 HB3 MET A 53 8.535 -16.063 4.666 1.00 0.00 H new ATOM 0 HG2 MET A 53 9.704 -13.735 5.043 1.00 0.00 H new ATOM 0 HG3 MET A 53 9.065 -13.860 6.670 1.00 0.00 H new ATOM 0 HE1 MET A 53 12.835 -14.356 7.193 1.00 0.00 H new ATOM 0 HE2 MET A 53 12.023 -13.317 5.998 1.00 0.00 H new ATOM 0 HE3 MET A 53 11.365 -13.461 7.645 1.00 0.00 H new ATOM 592 N HIS A 54 4.928 -14.425 4.100 1.00 0.00 N ATOM 593 CA HIS A 54 3.669 -15.098 3.683 1.00 0.00 C ATOM 594 C HIS A 54 2.775 -14.140 2.910 1.00 0.00 C ATOM 595 O HIS A 54 1.833 -14.550 2.262 1.00 0.00 O ATOM 596 CB HIS A 54 2.926 -15.559 4.947 1.00 0.00 C ATOM 597 CG HIS A 54 2.727 -17.076 4.896 1.00 0.00 C ATOM 598 ND1 HIS A 54 3.367 -17.902 5.580 1.00 0.00 N ATOM 599 CD2 HIS A 54 1.849 -17.828 4.139 1.00 0.00 C ATOM 600 CE1 HIS A 54 2.994 -19.091 5.344 1.00 0.00 C ATOM 601 NE2 HIS A 54 2.023 -19.146 4.431 1.00 0.00 N ATOM 0 H HIS A 54 4.818 -13.474 4.452 1.00 0.00 H new ATOM 0 HA HIS A 54 3.912 -15.944 3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.494 -15.286 5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.961 -15.057 5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.138 -17.433 3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.415 -19.960 5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.539 -19.960 4.052 1.00 0.00 H new ATOM 609 N GLY A 55 3.091 -12.877 2.996 1.00 0.00 N ATOM 610 CA GLY A 55 2.276 -11.855 2.272 1.00 0.00 C ATOM 611 C GLY A 55 3.015 -11.382 1.018 1.00 0.00 C ATOM 612 O GLY A 55 4.169 -11.704 0.819 1.00 0.00 O ATOM 0 H GLY A 55 3.875 -12.507 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.310 -12.278 1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.077 -11.007 2.927 1.00 0.00 H new ATOM 616 N ASP A 56 2.337 -10.629 0.195 1.00 0.00 N ATOM 617 CA ASP A 56 2.987 -10.137 -1.034 1.00 0.00 C ATOM 618 C ASP A 56 3.756 -8.841 -0.760 1.00 0.00 C ATOM 619 O ASP A 56 4.921 -8.878 -0.418 1.00 0.00 O ATOM 620 CB ASP A 56 1.895 -9.875 -2.070 1.00 0.00 C ATOM 621 CG ASP A 56 1.745 -11.106 -2.966 1.00 0.00 C ATOM 622 OD1 ASP A 56 1.935 -12.187 -2.434 1.00 0.00 O ATOM 623 OD2 ASP A 56 1.449 -10.896 -4.129 1.00 0.00 O ATOM 0 H ASP A 56 1.368 -10.339 0.326 1.00 0.00 H new ATOM 0 HA ASP A 56 3.697 -10.880 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.950 -9.655 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.149 -9.002 -2.671 1.00 0.00 H new ATOM 628 N TYR A 57 3.088 -7.719 -0.914 1.00 0.00 N ATOM 629 CA TYR A 57 3.764 -6.425 -0.666 1.00 0.00 C ATOM 630 C TYR A 57 2.862 -5.460 0.080 1.00 0.00 C ATOM 631 O TYR A 57 1.994 -5.860 0.828 1.00 0.00 O ATOM 632 CB TYR A 57 4.140 -5.810 -2.016 1.00 0.00 C ATOM 633 CG TYR A 57 4.913 -6.840 -2.849 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.030 -7.479 -2.334 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.504 -7.148 -4.126 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.715 -8.401 -3.079 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.194 -8.074 -4.874 1.00 0.00 C ATOM 638 CZ TYR A 57 6.306 -8.709 -4.358 1.00 0.00 C ATOM 639 OH TYR A 57 6.996 -9.637 -5.111 1.00 0.00 O ATOM 0 H TYR A 57 2.111 -7.654 -1.199 1.00 0.00 H new ATOM 0 HA TYR A 57 4.648 -6.605 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.242 -5.497 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.748 -4.918 -1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.364 -7.247 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.636 -6.660 -4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.582 -8.890 -2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.862 -8.307 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 57 6.568 -9.731 -5.987 1.00 0.00 H new ATOM 649 N THR A 58 3.091 -4.203 -0.142 1.00 0.00 N ATOM 650 CA THR A 58 2.276 -3.180 0.531 1.00 0.00 C ATOM 651 C THR A 58 2.163 -1.928 -0.332 1.00 0.00 C ATOM 652 O THR A 58 3.157 -1.328 -0.691 1.00 0.00 O ATOM 653 CB THR A 58 2.982 -2.842 1.839 1.00 0.00 C ATOM 654 OG1 THR A 58 2.262 -3.539 2.834 1.00 0.00 O ATOM 655 CG2 THR A 58 2.810 -1.364 2.213 1.00 0.00 C ATOM 0 H THR A 58 3.813 -3.843 -0.766 1.00 0.00 H new ATOM 0 HA THR A 58 1.267 -3.552 0.708 1.00 0.00 H new ATOM 0 HB THR A 58 4.041 -3.084 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.993 -4.416 2.489 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.328 -1.163 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.230 -0.738 1.426 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.750 -1.139 2.328 1.00 0.00 H new ATOM 663 N LEU A 59 0.954 -1.556 -0.651 1.00 0.00 N ATOM 664 CA LEU A 59 0.765 -0.348 -1.491 1.00 0.00 C ATOM 665 C LEU A 59 0.994 0.923 -0.682 1.00 0.00 C ATOM 666 O LEU A 59 0.489 1.061 0.411 1.00 0.00 O ATOM 667 CB LEU A 59 -0.688 -0.334 -2.012 1.00 0.00 C ATOM 668 CG LEU A 59 -0.706 -0.674 -3.511 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.292 -2.137 -3.710 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.125 -0.477 -4.054 1.00 0.00 C ATOM 0 H LEU A 59 0.098 -2.033 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 59 1.482 -0.379 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.290 -1.055 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.134 0.647 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.011 -0.022 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.305 -2.377 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.713 -2.287 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.990 -2.788 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.144 -0.717 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.813 -1.134 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.429 0.560 -3.910 1.00 0.00 H new ATOM 682 N THR A 60 1.758 1.827 -1.241 1.00 0.00 N ATOM 683 CA THR A 60 2.041 3.102 -0.532 1.00 0.00 C ATOM 684 C THR A 60 1.841 4.274 -1.482 1.00 0.00 C ATOM 685 O THR A 60 2.310 4.244 -2.603 1.00 0.00 O ATOM 686 CB THR A 60 3.488 3.086 -0.058 1.00 0.00 C ATOM 687 OG1 THR A 60 3.433 2.650 1.283 1.00 0.00 O ATOM 688 CG2 THR A 60 4.061 4.514 0.021 1.00 0.00 C ATOM 0 H THR A 60 2.196 1.733 -2.157 1.00 0.00 H new ATOM 0 HA THR A 60 1.366 3.208 0.317 1.00 0.00 H new ATOM 0 HB THR A 60 4.089 2.474 -0.730 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.612 1.687 1.322 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.095 4.473 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.022 4.977 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.471 5.104 0.722 1.00 0.00 H new ATOM 696 N LEU A 61 1.145 5.286 -1.018 1.00 0.00 N ATOM 697 CA LEU A 61 0.902 6.474 -1.890 1.00 0.00 C ATOM 698 C LEU A 61 1.230 7.769 -1.185 1.00 0.00 C ATOM 699 O LEU A 61 1.113 7.878 0.013 1.00 0.00 O ATOM 700 CB LEU A 61 -0.585 6.513 -2.293 1.00 0.00 C ATOM 701 CG LEU A 61 -1.380 5.495 -1.477 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.864 5.769 -1.670 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.071 4.068 -1.955 1.00 0.00 C ATOM 0 H LEU A 61 0.740 5.339 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 61 1.549 6.378 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.987 7.513 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.687 6.297 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.105 5.584 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.445 5.049 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.095 6.778 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.117 5.676 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.645 3.354 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.342 3.970 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.007 3.866 -1.834 1.00 0.00 H new ATOM 715 N ARG A 62 1.639 8.735 -1.960 1.00 0.00 N ATOM 716 CA ARG A 62 1.982 10.038 -1.378 1.00 0.00 C ATOM 717 C ARG A 62 0.754 10.919 -1.358 1.00 0.00 C ATOM 718 O ARG A 62 0.234 11.283 -2.402 1.00 0.00 O ATOM 719 CB ARG A 62 3.052 10.690 -2.263 1.00 0.00 C ATOM 720 CG ARG A 62 3.522 11.999 -1.625 1.00 0.00 C ATOM 721 CD ARG A 62 4.191 11.709 -0.273 1.00 0.00 C ATOM 722 NE ARG A 62 5.283 12.706 -0.054 1.00 0.00 N ATOM 723 CZ ARG A 62 6.060 12.594 0.990 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.172 11.433 1.572 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.702 13.649 1.412 1.00 0.00 N ATOM 0 H ARG A 62 1.747 8.667 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 62 2.351 9.911 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.896 10.012 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.648 10.883 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.224 12.505 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.675 12.671 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.458 11.769 0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.596 10.697 -0.261 1.00 0.00 H new ATOM 0 HE ARG A 62 5.421 13.470 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.657 10.630 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.774 11.328 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.592 14.540 0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.314 13.582 2.226 1.00 0.00 H new ATOM 739 N LYS A 63 0.310 11.247 -0.174 1.00 0.00 N ATOM 740 CA LYS A 63 -0.891 12.106 -0.044 1.00 0.00 C ATOM 741 C LYS A 63 -0.515 13.587 0.044 1.00 0.00 C ATOM 742 O LYS A 63 -1.036 14.315 0.868 1.00 0.00 O ATOM 743 CB LYS A 63 -1.613 11.691 1.259 1.00 0.00 C ATOM 744 CG LYS A 63 -3.150 11.837 1.135 1.00 0.00 C ATOM 745 CD LYS A 63 -3.811 10.665 1.865 1.00 0.00 C ATOM 746 CE LYS A 63 -5.277 11.006 2.143 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.971 9.850 2.780 1.00 0.00 N ATOM 0 H LYS A 63 0.732 10.954 0.707 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.526 11.977 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.364 10.657 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.255 12.306 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.476 12.784 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.446 11.845 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.744 9.760 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.289 10.463 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.336 11.877 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.778 11.270 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.964 10.099 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.931 9.028 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.503 9.616 3.679 1.00 0.00 H new ATOM 761 N GLY A 64 0.379 14.009 -0.807 1.00 0.00 N ATOM 762 CA GLY A 64 0.795 15.442 -0.780 1.00 0.00 C ATOM 763 C GLY A 64 2.045 15.623 0.077 1.00 0.00 C ATOM 764 O GLY A 64 2.705 16.642 0.011 1.00 0.00 O ATOM 0 H GLY A 64 0.836 13.432 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.990 15.789 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.015 16.054 -0.384 1.00 0.00 H new ATOM 768 N GLY A 65 2.346 14.630 0.856 1.00 0.00 N ATOM 769 CA GLY A 65 3.551 14.722 1.726 1.00 0.00 C ATOM 770 C GLY A 65 3.541 13.605 2.761 1.00 0.00 C ATOM 771 O GLY A 65 4.570 13.245 3.299 1.00 0.00 O ATOM 0 H GLY A 65 1.816 13.762 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.453 14.656 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.574 15.690 2.226 1.00 0.00 H new ATOM 775 N ASN A 66 2.375 13.082 3.016 1.00 0.00 N ATOM 776 CA ASN A 66 2.258 11.986 4.009 1.00 0.00 C ATOM 777 C ASN A 66 2.092 10.647 3.309 1.00 0.00 C ATOM 778 O ASN A 66 1.039 10.342 2.786 1.00 0.00 O ATOM 779 CB ASN A 66 1.020 12.245 4.875 1.00 0.00 C ATOM 780 CG ASN A 66 1.213 11.578 6.240 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.666 10.353 6.290 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 0.956 12.166 7.272 1.00 0.00 N flip ATOM 0 H ASN A 66 1.499 13.368 2.578 1.00 0.00 H new ATOM 0 HA ASN A 66 3.161 11.957 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.866 13.317 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.130 11.849 4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.602 13.122 7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.094 11.703 8.171 1.00 0.00 H new ATOM 789 N ASN A 67 3.137 9.873 3.308 1.00 0.00 N ATOM 790 CA ASN A 67 3.067 8.559 2.654 1.00 0.00 C ATOM 791 C ASN A 67 2.039 7.662 3.337 1.00 0.00 C ATOM 792 O ASN A 67 2.237 7.231 4.457 1.00 0.00 O ATOM 793 CB ASN A 67 4.447 7.907 2.772 1.00 0.00 C ATOM 794 CG ASN A 67 5.080 8.296 4.109 1.00 0.00 C ATOM 795 OD1 ASN A 67 4.409 8.732 5.023 1.00 0.00 O ATOM 796 ND2 ASN A 67 6.368 8.152 4.267 1.00 0.00 N ATOM 0 H ASN A 67 4.035 10.102 3.735 1.00 0.00 H new ATOM 0 HA ASN A 67 2.771 8.687 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.356 6.823 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.085 8.228 1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.805 8.405 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.938 7.786 3.504 1.00 0.00 H new ATOM 803 N LYS A 68 0.956 7.396 2.655 1.00 0.00 N ATOM 804 CA LYS A 68 -0.086 6.529 3.257 1.00 0.00 C ATOM 805 C LYS A 68 0.198 5.067 2.934 1.00 0.00 C ATOM 806 O LYS A 68 0.265 4.683 1.782 1.00 0.00 O ATOM 807 CB LYS A 68 -1.444 6.925 2.660 1.00 0.00 C ATOM 808 CG LYS A 68 -2.567 6.291 3.484 1.00 0.00 C ATOM 809 CD LYS A 68 -3.501 5.531 2.546 1.00 0.00 C ATOM 810 CE LYS A 68 -4.729 5.061 3.331 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.752 6.142 3.402 1.00 0.00 N ATOM 0 H LYS A 68 0.753 7.740 1.716 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.091 6.655 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.549 8.010 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.508 6.595 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.151 5.615 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.119 7.061 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.806 6.172 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.983 4.676 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.157 4.179 2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.433 4.767 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.577 5.805 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.346 6.973 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.048 6.404 2.440 1.00 0.00 H new ATOM 825 N LEU A 69 0.354 4.276 3.958 1.00 0.00 N ATOM 826 CA LEU A 69 0.636 2.839 3.734 1.00 0.00 C ATOM 827 C LEU A 69 -0.640 2.008 3.641 1.00 0.00 C ATOM 828 O LEU A 69 -1.589 2.228 4.366 1.00 0.00 O ATOM 829 CB LEU A 69 1.456 2.326 4.927 1.00 0.00 C ATOM 830 CG LEU A 69 2.284 1.120 4.481 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.685 1.585 4.067 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.407 0.135 5.647 1.00 0.00 C ATOM 0 H LEU A 69 0.298 4.564 4.935 1.00 0.00 H new ATOM 0 HA LEU A 69 1.172 2.740 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.110 3.114 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.794 2.046 5.746 1.00 0.00 H new ATOM 0 HG LEU A 69 1.795 0.636 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.275 0.725 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.604 2.294 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.173 2.067 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.996 -0.727 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.899 0.625 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.414 -0.196 5.950 1.00 0.00 H new ATOM 844 N ILE A 70 -0.625 1.059 2.736 1.00 0.00 N ATOM 845 CA ILE A 70 -1.811 0.179 2.552 1.00 0.00 C ATOM 846 C ILE A 70 -1.349 -1.264 2.392 1.00 0.00 C ATOM 847 O ILE A 70 -0.471 -1.550 1.603 1.00 0.00 O ATOM 848 CB ILE A 70 -2.563 0.610 1.299 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.384 1.851 1.608 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.519 -0.526 0.887 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.369 2.774 0.396 1.00 0.00 C ATOM 0 H ILE A 70 0.161 0.859 2.118 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.466 0.258 3.420 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.857 0.825 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.408 1.572 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.975 2.366 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.066 -0.234 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.944 -1.429 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.224 -0.719 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.956 3.667 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.342 3.061 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.798 2.255 -0.462 1.00 0.00 H new ATOM 863 N LYS A 71 -1.947 -2.149 3.134 1.00 0.00 N ATOM 864 CA LYS A 71 -1.543 -3.575 3.032 1.00 0.00 C ATOM 865 C LYS A 71 -2.263 -4.318 1.905 1.00 0.00 C ATOM 866 O LYS A 71 -3.376 -3.996 1.542 1.00 0.00 O ATOM 867 CB LYS A 71 -1.884 -4.260 4.362 1.00 0.00 C ATOM 868 CG LYS A 71 -0.725 -4.063 5.341 1.00 0.00 C ATOM 869 CD LYS A 71 -1.177 -4.469 6.744 1.00 0.00 C ATOM 870 CE LYS A 71 -0.106 -5.361 7.374 1.00 0.00 C ATOM 871 NZ LYS A 71 -0.503 -5.759 8.755 1.00 0.00 N ATOM 0 H LYS A 71 -2.692 -1.950 3.802 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.476 -3.606 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.801 -3.841 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.064 -5.323 4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.132 -4.663 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.403 -3.022 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.338 -3.583 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.128 -5.000 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.041 -6.250 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.846 -4.832 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.235 -6.364 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.621 -4.908 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.401 -6.283 8.721 1.00 0.00 H new ATOM 885 N ILE A 72 -1.583 -5.302 1.370 1.00 0.00 N ATOM 886 CA ILE A 72 -2.159 -6.117 0.264 1.00 0.00 C ATOM 887 C ILE A 72 -2.627 -7.461 0.840 1.00 0.00 C ATOM 888 O ILE A 72 -1.868 -8.126 1.515 1.00 0.00 O ATOM 889 CB ILE A 72 -1.020 -6.362 -0.748 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.975 -5.237 -1.800 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.223 -7.730 -1.445 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.025 -5.465 -2.900 1.00 0.00 C ATOM 0 H ILE A 72 -0.644 -5.576 1.658 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.002 -5.616 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.072 -6.368 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.153 -4.276 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.019 -5.191 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.416 -7.898 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.218 -8.523 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.178 -7.733 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.970 -4.656 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.830 -6.415 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.020 -5.486 -2.455 1.00 0.00 H new ATOM 904 N PHE A 73 -3.862 -7.851 0.565 1.00 0.00 N ATOM 905 CA PHE A 73 -4.336 -9.151 1.116 1.00 0.00 C ATOM 906 C PHE A 73 -4.156 -10.276 0.104 1.00 0.00 C ATOM 907 O PHE A 73 -4.962 -10.458 -0.783 1.00 0.00 O ATOM 908 CB PHE A 73 -5.829 -9.025 1.494 1.00 0.00 C ATOM 909 CG PHE A 73 -6.230 -7.545 1.554 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.463 -6.635 2.262 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.356 -7.097 0.887 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.816 -5.302 2.301 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.707 -5.760 0.928 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.933 -4.864 1.632 1.00 0.00 C ATOM 0 H PHE A 73 -4.535 -7.335 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.744 -9.393 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.444 -9.548 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.010 -9.499 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.582 -6.971 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.964 -7.795 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.213 -4.601 2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.589 -5.418 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.204 -3.819 1.658 1.00 0.00 H new ATOM 924 N HIS A 74 -3.076 -11.002 0.261 1.00 0.00 N ATOM 925 CA HIS A 74 -2.785 -12.132 -0.661 1.00 0.00 C ATOM 926 C HIS A 74 -2.970 -13.461 0.082 1.00 0.00 C ATOM 927 O HIS A 74 -3.097 -13.469 1.291 1.00 0.00 O ATOM 928 CB HIS A 74 -1.316 -12.000 -1.114 1.00 0.00 C ATOM 929 CG HIS A 74 -0.705 -13.387 -1.306 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.069 -13.944 -0.502 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.857 -14.279 -2.349 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.427 -15.088 -0.916 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.116 -15.393 -2.094 1.00 0.00 N ATOM 0 H HIS A 74 -2.382 -10.855 0.994 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.457 -12.110 -1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.263 -11.437 -2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.746 -11.441 -0.372 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.376 -13.531 0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.466 -14.119 -3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.096 -15.741 -0.375 1.00 0.00 H new ATOM 941 N ARG A 75 -2.988 -14.558 -0.648 1.00 0.00 N ATOM 942 CA ARG A 75 -3.165 -15.884 0.023 1.00 0.00 C ATOM 943 C ARG A 75 -2.151 -16.911 -0.483 1.00 0.00 C ATOM 944 O ARG A 75 -1.278 -17.327 0.253 1.00 0.00 O ATOM 945 CB ARG A 75 -4.587 -16.393 -0.276 1.00 0.00 C ATOM 946 CG ARG A 75 -5.264 -16.773 1.045 1.00 0.00 C ATOM 947 CD ARG A 75 -6.681 -17.278 0.762 1.00 0.00 C ATOM 948 NE ARG A 75 -7.032 -18.321 1.766 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.280 -18.486 2.110 1.00 0.00 C ATOM 950 NH1 ARG A 75 -9.130 -18.909 1.214 1.00 0.00 N ATOM 951 NH2 ARG A 75 -8.636 -18.218 3.336 1.00 0.00 N ATOM 0 H ARG A 75 -2.889 -14.589 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.008 -15.756 1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.164 -15.622 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.547 -17.256 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.686 -17.544 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.299 -15.910 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.392 -16.453 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.740 -17.690 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.303 -18.901 2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.814 -19.105 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.110 -19.044 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.943 -17.886 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.607 -18.341 3.624 1.00 0.00 H new ATOM 965 N ASP A 76 -2.288 -17.301 -1.729 1.00 0.00 N ATOM 966 CA ASP A 76 -1.341 -18.303 -2.305 1.00 0.00 C ATOM 967 C ASP A 76 -0.609 -17.731 -3.508 1.00 0.00 C ATOM 968 O ASP A 76 0.463 -18.181 -3.860 1.00 0.00 O ATOM 969 CB ASP A 76 -2.154 -19.518 -2.761 1.00 0.00 C ATOM 970 CG ASP A 76 -1.808 -20.718 -1.880 1.00 0.00 C ATOM 971 OD1 ASP A 76 -0.704 -21.209 -2.044 1.00 0.00 O ATOM 972 OD2 ASP A 76 -2.668 -21.077 -1.094 1.00 0.00 O ATOM 0 H ASP A 76 -3.011 -16.969 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.606 -18.576 -1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.220 -19.301 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.937 -19.744 -3.805 1.00 0.00 H new ATOM 977 N GLY A 77 -1.203 -16.747 -4.115 1.00 0.00 N ATOM 978 CA GLY A 77 -0.562 -16.123 -5.303 1.00 0.00 C ATOM 979 C GLY A 77 -1.510 -15.105 -5.924 1.00 0.00 C ATOM 980 O GLY A 77 -1.145 -14.378 -6.826 1.00 0.00 O ATOM 0 H GLY A 77 -2.101 -16.348 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.369 -15.637 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.306 -16.889 -6.035 1.00 0.00 H new ATOM 984 N LYS A 78 -2.714 -15.078 -5.426 1.00 0.00 N ATOM 985 CA LYS A 78 -3.698 -14.124 -5.964 1.00 0.00 C ATOM 986 C LYS A 78 -3.634 -12.806 -5.190 1.00 0.00 C ATOM 987 O LYS A 78 -2.672 -12.555 -4.493 1.00 0.00 O ATOM 988 CB LYS A 78 -5.107 -14.750 -5.826 1.00 0.00 C ATOM 989 CG LYS A 78 -5.034 -15.992 -4.931 1.00 0.00 C ATOM 990 CD LYS A 78 -6.447 -16.539 -4.723 1.00 0.00 C ATOM 991 CE LYS A 78 -6.404 -17.661 -3.684 1.00 0.00 C ATOM 992 NZ LYS A 78 -7.275 -18.794 -4.104 1.00 0.00 N ATOM 0 H LYS A 78 -3.050 -15.677 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.480 -13.916 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.799 -14.023 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.494 -15.020 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.400 -16.751 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.583 -15.739 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.112 -15.743 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.847 -16.914 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.379 -18.010 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.732 -17.281 -2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.234 -19.547 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.255 -18.461 -4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.944 -19.166 -5.017 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.649 -11.981 -5.327 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.630 -10.687 -4.594 1.00 0.00 C ATOM 1008 C TYR A 79 -5.992 -10.320 -4.053 1.00 0.00 C ATOM 1009 O TYR A 79 -7.010 -10.694 -4.602 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.188 -9.595 -5.562 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.688 -9.688 -5.750 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.830 -9.181 -4.799 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -2.169 -10.281 -6.872 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.467 -9.268 -4.974 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.808 -10.370 -7.053 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.057 -9.864 -6.105 1.00 0.00 C ATOM 1017 OH TYR A 79 1.422 -9.951 -6.286 1.00 0.00 O ATOM 0 H TYR A 79 -5.472 -12.149 -5.905 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.946 -10.785 -3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.696 -9.711 -6.519 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.460 -8.614 -5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.229 -8.713 -3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.835 -10.682 -7.621 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.197 -8.868 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.414 -10.839 -7.943 1.00 0.00 H new ATOM 0 HH TYR A 79 1.855 -10.133 -5.426 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.973 -9.587 -2.975 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.241 -9.154 -2.341 1.00 0.00 C ATOM 1029 C GLY A 80 -7.233 -7.650 -2.183 1.00 0.00 C ATOM 1030 O GLY A 80 -6.381 -7.098 -1.506 1.00 0.00 O ATOM 0 H GLY A 80 -5.125 -9.269 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.090 -9.462 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.357 -9.633 -1.369 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.172 -7.010 -2.819 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.239 -5.545 -2.722 1.00 0.00 C ATOM 1036 C PHE A 81 -9.674 -5.063 -2.806 1.00 0.00 C ATOM 1037 O PHE A 81 -10.026 -4.039 -2.255 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.450 -4.955 -3.887 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.469 -3.938 -3.330 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.365 -4.355 -2.617 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.710 -2.590 -3.468 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.520 -3.433 -2.042 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.866 -1.670 -2.893 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.772 -2.094 -2.179 1.00 0.00 C ATOM 0 H PHE A 81 -8.890 -7.445 -3.398 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.824 -5.229 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.919 -5.741 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.124 -4.482 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.162 -5.410 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.567 -2.253 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.658 -3.766 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.063 -0.614 -3.003 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.110 -1.371 -1.725 1.00 0.00 H new ATOM 1054 N SER A 82 -10.476 -5.810 -3.494 1.00 0.00 N ATOM 1055 CA SER A 82 -11.902 -5.419 -3.633 1.00 0.00 C ATOM 1056 C SER A 82 -12.800 -6.642 -3.692 1.00 0.00 C ATOM 1057 O SER A 82 -13.785 -6.730 -2.988 1.00 0.00 O ATOM 1058 CB SER A 82 -12.064 -4.615 -4.936 1.00 0.00 C ATOM 1059 OG SER A 82 -12.586 -5.554 -5.864 1.00 0.00 O ATOM 0 H SER A 82 -10.211 -6.674 -3.967 1.00 0.00 H new ATOM 0 HA SER A 82 -12.190 -4.822 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.740 -3.771 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.111 -4.209 -5.274 1.00 0.00 H new ATOM 0 HG SER A 82 -12.722 -5.117 -6.730 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.442 -7.561 -4.528 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.259 -8.792 -4.653 1.00 0.00 C ATOM 1067 C ASP A 83 -12.777 -9.854 -3.643 1.00 0.00 C ATOM 1068 O ASP A 83 -11.763 -9.668 -3.004 1.00 0.00 O ATOM 1069 CB ASP A 83 -13.083 -9.325 -6.089 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.422 -9.257 -6.825 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -15.069 -8.233 -6.679 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.724 -10.234 -7.490 1.00 0.00 O ATOM 0 H ASP A 83 -11.621 -7.517 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.307 -8.574 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.335 -8.735 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.721 -10.353 -6.065 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.542 -10.946 -3.486 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.164 -12.014 -2.549 1.00 0.00 C ATOM 1079 C PRO A 84 -11.915 -12.795 -3.037 1.00 0.00 C ATOM 1080 O PRO A 84 -11.908 -14.010 -3.082 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.408 -12.951 -2.503 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.408 -12.448 -3.584 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.837 -11.150 -4.173 1.00 0.00 C ATOM 0 HA PRO A 84 -12.898 -11.613 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.119 -13.984 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.868 -12.930 -1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.539 -13.198 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.390 -12.270 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.701 -11.234 -5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.510 -10.310 -4.001 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.879 -12.076 -3.383 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.646 -12.752 -3.860 1.00 0.00 C ATOM 1093 C LEU A 85 -9.967 -13.731 -4.977 1.00 0.00 C ATOM 1094 O LEU A 85 -10.119 -14.916 -4.749 1.00 0.00 O ATOM 1095 CB LEU A 85 -9.010 -13.518 -2.674 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.015 -12.592 -1.955 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.016 -12.885 -0.459 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.614 -12.836 -2.505 1.00 0.00 C ATOM 0 H LEU A 85 -10.837 -11.057 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.955 -12.003 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.784 -13.849 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.500 -14.412 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.309 -11.556 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.308 -12.224 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.015 -12.719 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.725 -13.922 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.905 -12.181 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.333 -13.876 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.601 -12.626 -3.574 1.00 0.00 H new ATOM 1110 N THR A 86 -10.068 -13.214 -6.174 1.00 0.00 N ATOM 1111 CA THR A 86 -10.379 -14.093 -7.323 1.00 0.00 C ATOM 1112 C THR A 86 -9.750 -13.565 -8.611 1.00 0.00 C ATOM 1113 O THR A 86 -9.362 -14.331 -9.470 1.00 0.00 O ATOM 1114 CB THR A 86 -11.896 -14.139 -7.498 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.427 -13.790 -6.236 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.371 -15.580 -7.734 1.00 0.00 C ATOM 0 H THR A 86 -9.948 -12.226 -6.398 1.00 0.00 H new ATOM 0 HA THR A 86 -9.974 -15.086 -7.125 1.00 0.00 H new ATOM 0 HB THR A 86 -12.195 -13.497 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.406 -13.799 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.454 -15.591 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.900 -15.975 -8.634 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.096 -16.198 -6.879 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.658 -12.262 -8.729 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.053 -11.697 -9.965 1.00 0.00 C ATOM 1126 C PHE A 87 -7.603 -12.133 -10.069 1.00 0.00 C ATOM 1127 O PHE A 87 -7.022 -12.139 -11.127 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.128 -10.156 -9.912 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.859 -9.653 -8.489 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.853 -9.690 -7.525 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.628 -9.121 -8.159 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.612 -9.198 -6.257 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.395 -8.628 -6.892 1.00 0.00 C ATOM 1134 CZ PHE A 87 -8.385 -8.668 -5.945 1.00 0.00 C ATOM 0 H PHE A 87 -9.970 -11.582 -8.036 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.600 -12.059 -10.836 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.399 -9.727 -10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.112 -9.823 -10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.820 -10.105 -7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.842 -9.091 -8.899 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.391 -9.230 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.430 -8.210 -6.646 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.200 -8.282 -4.953 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.066 -12.488 -8.946 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.651 -12.947 -8.875 1.00 0.00 C ATOM 1146 C ASN A 88 -4.660 -12.069 -9.653 1.00 0.00 C ATOM 1147 O ASN A 88 -3.583 -12.519 -9.988 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.579 -14.380 -9.421 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.700 -14.366 -10.945 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.871 -14.568 -11.487 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -4.734 -14.174 -11.655 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.555 -12.481 -8.051 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.354 -12.885 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.637 -14.843 -9.127 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.378 -14.983 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.817 -14.016 -11.237 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.839 -14.171 -12.670 1.00 0.00 H new ATOM 1158 N SER A 89 -5.023 -10.848 -9.932 1.00 0.00 N ATOM 1159 CA SER A 89 -4.068 -9.972 -10.685 1.00 0.00 C ATOM 1160 C SER A 89 -4.223 -8.515 -10.300 1.00 0.00 C ATOM 1161 O SER A 89 -5.317 -7.980 -10.251 1.00 0.00 O ATOM 1162 CB SER A 89 -4.302 -10.098 -12.185 1.00 0.00 C ATOM 1163 OG SER A 89 -5.348 -11.039 -12.310 1.00 0.00 O ATOM 0 H SER A 89 -5.915 -10.422 -9.681 1.00 0.00 H new ATOM 0 HA SER A 89 -3.062 -10.304 -10.428 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.578 -9.139 -12.624 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.402 -10.436 -12.699 1.00 0.00 H new ATOM 0 HG SER A 89 -6.117 -10.745 -11.779 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.116 -7.884 -10.074 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.162 -6.462 -9.689 1.00 0.00 C ATOM 1171 C VAL A 90 -3.261 -5.600 -10.914 1.00 0.00 C ATOM 1172 O VAL A 90 -4.016 -4.652 -10.955 1.00 0.00 O ATOM 1173 CB VAL A 90 -1.872 -6.112 -8.935 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.170 -5.012 -7.914 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.361 -7.353 -8.202 1.00 0.00 C ATOM 0 H VAL A 90 -2.183 -8.292 -10.139 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.032 -6.287 -9.056 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.117 -5.767 -9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.257 -4.759 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.543 -4.128 -8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.922 -5.365 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.445 -7.107 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.116 -7.694 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.158 -8.144 -8.924 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.504 -5.946 -11.898 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.537 -5.159 -13.134 1.00 0.00 C ATOM 1187 C VAL A 91 -3.962 -5.055 -13.620 1.00 0.00 C ATOM 1188 O VAL A 91 -4.368 -4.050 -14.162 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.684 -5.887 -14.196 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.163 -4.883 -15.236 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.494 -6.571 -13.509 1.00 0.00 C ATOM 0 H VAL A 91 -1.864 -6.740 -11.898 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.143 -4.158 -12.957 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.301 -6.632 -14.699 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.563 -5.408 -15.980 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.006 -4.397 -15.727 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.550 -4.131 -14.740 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.110 -7.086 -14.256 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.115 -5.821 -13.004 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.861 -7.292 -12.779 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.700 -6.100 -13.412 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.109 -6.092 -13.848 1.00 0.00 C ATOM 1203 C GLU A 92 -6.893 -5.141 -12.966 1.00 0.00 C ATOM 1204 O GLU A 92 -7.650 -4.315 -13.443 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.682 -7.508 -13.686 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.177 -7.481 -13.995 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.542 -8.699 -14.847 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.363 -9.793 -14.332 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -8.981 -8.466 -15.963 1.00 0.00 O ATOM 0 H GLU A 92 -4.386 -6.958 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.178 -5.775 -14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.172 -8.199 -14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.514 -7.867 -12.671 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.751 -7.486 -13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.434 -6.563 -14.524 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.692 -5.276 -11.683 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.406 -4.394 -10.736 1.00 0.00 C ATOM 1218 C LEU A 93 -6.915 -2.964 -10.889 1.00 0.00 C ATOM 1219 O LEU A 93 -7.625 -2.107 -11.382 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.090 -4.884 -9.305 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.739 -3.950 -8.272 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.627 -4.771 -7.345 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.645 -3.275 -7.440 1.00 0.00 C ATOM 0 H LEU A 93 -6.065 -5.959 -11.257 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.478 -4.423 -10.932 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.459 -5.901 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.011 -4.914 -9.152 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.333 -3.194 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.091 -4.114 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.403 -5.267 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.024 -5.521 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.103 -2.612 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.058 -4.036 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.994 -2.697 -8.096 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.712 -2.736 -10.445 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.130 -1.379 -10.542 1.00 0.00 C ATOM 1237 C ILE A 94 -5.497 -0.727 -11.872 1.00 0.00 C ATOM 1238 O ILE A 94 -5.698 0.465 -11.941 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.583 -1.517 -10.407 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.038 -0.620 -9.274 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.865 -1.136 -11.735 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.608 0.815 -9.365 1.00 0.00 C ATOM 0 H ILE A 94 -5.107 -3.438 -10.018 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.525 -0.742 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.379 -2.562 -10.172 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.296 -1.055 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.950 -0.585 -9.328 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.787 -1.242 -11.609 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.204 -1.795 -12.534 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.100 -0.103 -11.992 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.204 1.419 -8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.328 1.258 -10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.695 0.781 -9.286 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.576 -1.519 -12.905 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.930 -0.944 -14.222 1.00 0.00 C ATOM 1256 C ASN A 95 -7.329 -0.350 -14.168 1.00 0.00 C ATOM 1257 O ASN A 95 -7.555 0.774 -14.594 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.907 -2.066 -15.274 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.726 -1.635 -16.493 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.898 -0.462 -16.757 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.247 -2.552 -17.263 1.00 0.00 N ATOM 0 H ASN A 95 -5.412 -2.526 -12.891 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.215 -0.163 -14.481 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.880 -2.282 -15.569 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.317 -2.984 -14.852 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.794 -2.281 -18.080 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.107 -3.539 -17.047 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.246 -1.112 -13.628 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.636 -0.619 -13.531 1.00 0.00 C ATOM 1270 C HIS A 96 -9.712 0.643 -12.681 1.00 0.00 C ATOM 1271 O HIS A 96 -10.635 1.418 -12.808 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.489 -1.711 -12.867 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.660 -2.066 -13.785 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -11.653 -2.990 -14.626 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.909 -1.487 -13.887 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -12.754 -3.062 -15.248 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.627 -2.138 -14.845 1.00 0.00 N ATOM 0 H HIS A 96 -8.086 -2.048 -13.255 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.999 -0.385 -14.532 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.882 -2.596 -12.674 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.860 -1.363 -11.903 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -13.261 -0.651 -13.301 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -12.962 -3.790 -16.018 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.579 -1.965 -15.168 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.736 0.829 -11.824 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.747 2.042 -10.961 1.00 0.00 C ATOM 1287 C TYR A 97 -7.877 3.143 -11.542 1.00 0.00 C ATOM 1288 O TYR A 97 -8.107 4.311 -11.297 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.209 1.663 -9.575 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.361 1.127 -8.722 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.447 1.928 -8.428 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.339 -0.166 -8.250 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.492 1.443 -7.678 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.385 -0.652 -7.497 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.471 0.148 -7.205 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.515 -0.339 -6.449 1.00 0.00 O ATOM 0 H TYR A 97 -7.944 0.200 -11.689 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.770 2.412 -10.896 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.427 0.909 -9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.758 2.532 -9.096 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.476 2.945 -8.791 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.496 -0.804 -8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.335 2.081 -7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.355 -1.668 -7.132 1.00 0.00 H new ATOM 0 HH TYR A 97 -13.259 0.298 -6.470 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.893 2.761 -12.299 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.009 3.784 -12.895 1.00 0.00 C ATOM 1308 C ARG A 98 -6.803 4.692 -13.815 1.00 0.00 C ATOM 1309 O ARG A 98 -6.578 5.881 -13.862 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.921 3.075 -13.712 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.550 3.456 -13.154 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.467 2.699 -13.924 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.274 3.354 -15.251 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.487 2.798 -16.133 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -1.328 1.502 -16.111 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.890 3.558 -17.012 1.00 0.00 N ATOM 0 H ARG A 98 -6.666 1.793 -12.528 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.564 4.384 -12.101 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.059 1.995 -13.665 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.993 3.360 -14.762 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.393 4.531 -13.244 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.496 3.214 -12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.533 2.702 -13.362 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.757 1.657 -14.056 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.753 4.228 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.815 0.940 -15.412 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.717 1.051 -16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.042 4.567 -17.001 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.272 3.143 -17.709 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.729 4.112 -14.530 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.551 4.931 -15.454 1.00 0.00 C ATOM 1332 C ASN A 99 -9.747 5.540 -14.729 1.00 0.00 C ATOM 1333 O ASN A 99 -10.262 6.566 -15.128 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.067 4.021 -16.570 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.504 4.493 -17.911 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.322 4.741 -18.048 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.314 4.630 -18.924 1.00 0.00 N ATOM 0 H ASN A 99 -7.947 3.116 -14.512 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.938 5.739 -15.852 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.769 2.990 -16.381 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.157 4.038 -16.594 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.955 4.944 -19.826 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.307 4.423 -18.815 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.163 4.894 -13.671 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.322 5.408 -12.897 1.00 0.00 C ATOM 1346 C GLU A 100 -10.872 6.150 -11.646 1.00 0.00 C ATOM 1347 O GLU A 100 -10.387 7.262 -11.722 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.186 4.209 -12.483 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.714 3.518 -13.744 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.007 2.772 -13.409 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -13.910 1.851 -12.615 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.018 3.165 -13.967 1.00 0.00 O ATOM 0 H GLU A 100 -9.748 4.034 -13.313 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.882 6.106 -13.519 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.599 3.509 -11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.016 4.540 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.898 4.255 -14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.969 2.822 -14.130 1.00 0.00 H new ATOM 1359 N SER A 101 -11.036 5.522 -10.512 1.00 0.00 N ATOM 1360 CA SER A 101 -10.622 6.181 -9.249 1.00 0.00 C ATOM 1361 C SER A 101 -11.063 5.364 -8.050 1.00 0.00 C ATOM 1362 O SER A 101 -12.171 4.867 -8.008 1.00 0.00 O ATOM 1363 CB SER A 101 -11.296 7.557 -9.173 1.00 0.00 C ATOM 1364 OG SER A 101 -10.318 8.453 -9.680 1.00 0.00 O ATOM 0 H SER A 101 -11.436 4.589 -10.410 1.00 0.00 H new ATOM 0 HA SER A 101 -9.536 6.274 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.209 7.586 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.574 7.808 -8.149 1.00 0.00 H new ATOM 0 HG SER A 101 -10.361 8.464 -10.659 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.193 5.236 -7.095 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.551 4.452 -5.893 1.00 0.00 C ATOM 1372 C LEU A 102 -11.561 5.211 -5.045 1.00 0.00 C ATOM 1373 O LEU A 102 -11.203 5.892 -4.103 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.274 4.203 -5.070 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.229 3.483 -5.947 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.836 3.813 -5.434 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.437 1.970 -5.866 1.00 0.00 C ATOM 0 H LEU A 102 -9.256 5.638 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.996 3.505 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.871 5.149 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.506 3.599 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.340 3.812 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.092 3.307 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.676 4.890 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.740 3.479 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.696 1.467 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.326 1.642 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.437 1.721 -6.220 1.00 0.00 H new ATOM 1389 N ALA A 103 -12.813 5.085 -5.408 1.00 0.00 N ATOM 1390 CA ALA A 103 -13.874 5.785 -4.644 1.00 0.00 C ATOM 1391 C ALA A 103 -14.520 4.859 -3.619 1.00 0.00 C ATOM 1392 O ALA A 103 -15.428 5.252 -2.913 1.00 0.00 O ATOM 1393 CB ALA A 103 -14.952 6.252 -5.634 1.00 0.00 C ATOM 0 H ALA A 103 -13.139 4.528 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.429 6.627 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -15.743 6.770 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.507 6.929 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.371 5.388 -6.150 1.00 0.00 H new ATOM 1399 N GLN A 104 -14.044 3.647 -3.553 1.00 0.00 N ATOM 1400 CA GLN A 104 -14.625 2.693 -2.577 1.00 0.00 C ATOM 1401 C GLN A 104 -13.888 2.762 -1.243 1.00 0.00 C ATOM 1402 O GLN A 104 -14.467 2.531 -0.200 1.00 0.00 O ATOM 1403 CB GLN A 104 -14.485 1.271 -3.147 1.00 0.00 C ATOM 1404 CG GLN A 104 -15.855 0.779 -3.632 1.00 0.00 C ATOM 1405 CD GLN A 104 -15.657 -0.403 -4.581 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -14.739 -0.325 -5.504 1.00 0.00 O flip ATOM 1407 NE2 GLN A 104 -16.338 -1.406 -4.492 1.00 0.00 N flip ATOM 0 H GLN A 104 -13.285 3.281 -4.128 1.00 0.00 H new ATOM 0 HA GLN A 104 -15.671 2.949 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.772 1.266 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.094 0.598 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -16.469 0.480 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -16.385 1.584 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -17.057 -1.472 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -16.190 -2.182 -5.138 1.00 0.00 H new ATOM 1416 N TYR A 105 -12.623 3.082 -1.299 1.00 0.00 N ATOM 1417 CA TYR A 105 -11.840 3.170 -0.042 1.00 0.00 C ATOM 1418 C TYR A 105 -12.480 4.152 0.930 1.00 0.00 C ATOM 1419 O TYR A 105 -13.222 3.767 1.810 1.00 0.00 O ATOM 1420 CB TYR A 105 -10.421 3.655 -0.388 1.00 0.00 C ATOM 1421 CG TYR A 105 -9.479 2.450 -0.455 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -9.593 1.526 -1.474 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -8.501 2.272 0.502 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -8.742 0.440 -1.534 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -7.651 1.187 0.443 1.00 0.00 C ATOM 1426 CZ TYR A 105 -7.765 0.262 -0.575 1.00 0.00 C ATOM 1427 OH TYR A 105 -6.914 -0.822 -0.634 1.00 0.00 O ATOM 0 H TYR A 105 -12.105 3.284 -2.154 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.812 2.188 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.426 4.181 -1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.072 4.363 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.354 1.653 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.400 2.988 1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.842 -0.275 -2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.890 1.060 1.199 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.329 -0.737 -1.416 1.00 0.00 H new ATOM 1437 N ASN A 106 -12.179 5.400 0.751 1.00 0.00 N ATOM 1438 CA ASN A 106 -12.753 6.432 1.649 1.00 0.00 C ATOM 1439 C ASN A 106 -14.097 6.972 1.075 1.00 0.00 C ATOM 1440 O ASN A 106 -14.096 7.596 0.033 1.00 0.00 O ATOM 1441 CB ASN A 106 -11.758 7.601 1.708 1.00 0.00 C ATOM 1442 CG ASN A 106 -11.091 7.631 3.085 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -11.578 8.247 4.011 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -9.974 6.978 3.261 1.00 0.00 N ATOM 0 H ASN A 106 -11.560 5.753 0.021 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.934 5.999 2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.004 7.491 0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.274 8.543 1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.516 6.987 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.560 6.458 2.487 1.00 0.00 H new ATOM 1451 N PRO A 107 -15.238 6.730 1.758 1.00 0.00 N ATOM 1452 CA PRO A 107 -16.521 7.219 1.254 1.00 0.00 C ATOM 1453 C PRO A 107 -16.580 8.746 1.248 1.00 0.00 C ATOM 1454 O PRO A 107 -15.590 9.409 1.483 1.00 0.00 O ATOM 1455 CB PRO A 107 -17.577 6.671 2.234 1.00 0.00 C ATOM 1456 CG PRO A 107 -16.819 5.911 3.361 1.00 0.00 C ATOM 1457 CD PRO A 107 -15.320 5.971 3.025 1.00 0.00 C ATOM 0 HA PRO A 107 -16.683 6.893 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -18.171 7.484 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -18.268 6.004 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -17.014 6.368 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -17.158 4.877 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -14.758 6.465 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -14.901 4.971 2.913 1.00 0.00 H new ATOM 1465 N LYS A 108 -17.752 9.267 0.966 1.00 0.00 N ATOM 1466 CA LYS A 108 -17.945 10.740 0.929 1.00 0.00 C ATOM 1467 C LYS A 108 -16.993 11.440 -0.051 1.00 0.00 C ATOM 1468 O LYS A 108 -17.181 12.598 -0.370 1.00 0.00 O ATOM 1469 CB LYS A 108 -17.709 11.289 2.335 1.00 0.00 C ATOM 1470 CG LYS A 108 -18.694 10.631 3.302 1.00 0.00 C ATOM 1471 CD LYS A 108 -18.878 11.537 4.522 1.00 0.00 C ATOM 1472 CE LYS A 108 -17.519 11.759 5.190 1.00 0.00 C ATOM 1473 NZ LYS A 108 -16.770 12.846 4.500 1.00 0.00 N ATOM 0 H LYS A 108 -18.589 8.722 0.758 1.00 0.00 H new ATOM 0 HA LYS A 108 -18.960 10.937 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -16.684 11.090 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -17.840 12.371 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -19.652 10.465 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -18.322 9.654 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -19.309 12.492 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -19.574 11.082 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.661 12.017 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.939 10.836 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.284 13.435 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.069 12.429 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.434 13.434 3.956 1.00 0.00 H new ATOM 1487 N LEU A 109 -15.996 10.742 -0.511 1.00 0.00 N ATOM 1488 CA LEU A 109 -15.049 11.371 -1.461 1.00 0.00 C ATOM 1489 C LEU A 109 -14.442 10.325 -2.385 1.00 0.00 C ATOM 1490 O LEU A 109 -14.987 9.251 -2.550 1.00 0.00 O ATOM 1491 CB LEU A 109 -13.925 12.054 -0.657 1.00 0.00 C ATOM 1492 CG LEU A 109 -13.201 11.014 0.206 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -11.730 10.950 -0.216 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -13.283 11.435 1.675 1.00 0.00 C ATOM 0 H LEU A 109 -15.798 9.770 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 109 -15.583 12.102 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -13.219 12.533 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -14.342 12.838 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.667 10.037 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.208 10.212 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.665 10.665 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.269 11.928 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.770 10.699 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.810 12.409 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -14.328 11.498 1.978 1.00 0.00 H new ATOM 1506 N ASP A 110 -13.324 10.651 -2.974 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.680 9.679 -3.885 1.00 0.00 C ATOM 1508 C ASP A 110 -11.236 10.063 -4.163 1.00 0.00 C ATOM 1509 O ASP A 110 -10.866 11.215 -4.047 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.456 9.668 -5.211 1.00 0.00 C ATOM 1511 CG ASP A 110 -14.062 11.052 -5.454 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -14.996 11.367 -4.734 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -13.558 11.715 -6.346 1.00 0.00 O ATOM 0 H ASP A 110 -12.837 11.540 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.691 8.695 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.791 9.400 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.243 8.914 -5.179 1.00 0.00 H new ATOM 1518 N VAL A 111 -10.443 9.078 -4.525 1.00 0.00 N ATOM 1519 CA VAL A 111 -9.010 9.349 -4.821 1.00 0.00 C ATOM 1520 C VAL A 111 -8.636 8.840 -6.209 1.00 0.00 C ATOM 1521 O VAL A 111 -9.216 7.895 -6.705 1.00 0.00 O ATOM 1522 CB VAL A 111 -8.152 8.610 -3.781 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -7.059 9.550 -3.268 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -9.038 8.183 -2.610 1.00 0.00 C ATOM 0 H VAL A 111 -10.731 8.105 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.838 10.425 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.696 7.732 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.448 9.030 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.431 9.866 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.518 10.425 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.434 7.658 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.487 9.065 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.825 7.521 -2.972 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.673 9.488 -6.807 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.225 9.078 -8.165 1.00 0.00 C ATOM 1536 C LYS A 112 -5.705 9.029 -8.213 1.00 0.00 C ATOM 1537 O LYS A 112 -5.054 10.053 -8.123 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.720 10.133 -9.176 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.621 11.144 -8.457 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.177 12.140 -9.479 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.395 13.490 -8.792 1.00 0.00 C ATOM 1542 NZ LYS A 112 -10.103 14.432 -9.704 1.00 0.00 N ATOM 0 H LYS A 112 -7.177 10.286 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.625 8.093 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.871 10.644 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.270 9.649 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.438 10.627 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.055 11.671 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.484 12.250 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.116 11.771 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.976 13.351 -7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.435 13.913 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.243 15.343 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.534 14.578 -10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.027 14.033 -9.965 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.159 7.838 -8.363 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.675 7.720 -8.415 1.00 0.00 C ATOM 1558 C LEU A 113 -3.145 7.641 -9.862 1.00 0.00 C ATOM 1559 O LEU A 113 -2.621 6.649 -10.290 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.249 6.466 -7.565 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.537 5.101 -8.269 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.533 4.002 -7.206 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.908 5.098 -8.952 1.00 0.00 C ATOM 0 H LEU A 113 -5.674 6.962 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.228 8.619 -7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.184 6.533 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.774 6.490 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.771 4.936 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.732 3.039 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.559 3.972 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.305 4.210 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.074 4.133 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.685 5.272 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.942 5.887 -9.704 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.307 8.717 -10.588 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.829 8.735 -11.989 1.00 0.00 C ATOM 1577 C LEU A 114 -1.429 9.345 -12.086 1.00 0.00 C ATOM 1578 O LEU A 114 -1.131 10.083 -13.004 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.808 9.597 -12.804 1.00 0.00 C ATOM 1580 CG LEU A 114 -5.076 8.790 -13.108 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.311 9.604 -12.722 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.120 8.502 -14.595 1.00 0.00 C ATOM 0 H LEU A 114 -3.749 9.578 -10.266 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.781 7.715 -12.369 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.064 10.499 -12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.338 9.918 -13.734 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.065 7.860 -12.540 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.210 9.027 -12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.277 9.834 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.328 10.532 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.017 7.928 -14.828 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.137 9.442 -15.147 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.238 7.929 -14.881 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.598 9.024 -11.137 1.00 0.00 N ATOM 1595 CA TYR A 115 0.779 9.573 -11.158 1.00 0.00 C ATOM 1596 C TYR A 115 1.756 8.581 -10.528 1.00 0.00 C ATOM 1597 O TYR A 115 2.263 8.805 -9.452 1.00 0.00 O ATOM 1598 CB TYR A 115 0.781 10.871 -10.337 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.491 11.655 -10.654 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.676 11.358 -10.011 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.477 12.657 -11.601 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.830 12.051 -10.314 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.631 13.351 -11.904 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.817 13.053 -11.262 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.970 13.748 -11.564 1.00 0.00 O ATOM 0 H TYR A 115 -0.813 8.408 -10.353 1.00 0.00 H new ATOM 0 HA TYR A 115 1.087 9.760 -12.187 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.829 10.644 -9.272 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.662 11.467 -10.576 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.700 10.577 -9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.444 12.901 -12.110 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.751 11.807 -9.805 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.606 14.133 -12.649 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.777 14.418 -12.253 1.00 0.00 H new ATOM 1615 N PRO A 116 2.008 7.492 -11.231 1.00 0.00 N ATOM 1616 CA PRO A 116 2.921 6.459 -10.747 1.00 0.00 C ATOM 1617 C PRO A 116 4.376 6.892 -10.878 1.00 0.00 C ATOM 1618 O PRO A 116 4.671 7.901 -11.490 1.00 0.00 O ATOM 1619 CB PRO A 116 2.675 5.263 -11.676 1.00 0.00 C ATOM 1620 CG PRO A 116 1.777 5.763 -12.854 1.00 0.00 C ATOM 1621 CD PRO A 116 1.409 7.223 -12.552 1.00 0.00 C ATOM 0 HA PRO A 116 2.746 6.241 -9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.619 4.869 -12.053 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.185 4.453 -11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.309 5.688 -13.803 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.880 5.150 -12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.805 7.897 -13.312 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.328 7.364 -12.533 1.00 0.00 H new ATOM 1629 N VAL A 117 5.259 6.118 -10.297 1.00 0.00 N ATOM 1630 CA VAL A 117 6.701 6.459 -10.376 1.00 0.00 C ATOM 1631 C VAL A 117 7.507 5.211 -10.683 1.00 0.00 C ATOM 1632 O VAL A 117 7.159 4.132 -10.252 1.00 0.00 O ATOM 1633 CB VAL A 117 7.157 7.009 -9.021 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.939 8.523 -8.986 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.340 6.356 -7.920 1.00 0.00 C ATOM 0 H VAL A 117 5.039 5.270 -9.775 1.00 0.00 H new ATOM 0 HA VAL A 117 6.853 7.199 -11.161 1.00 0.00 H new ATOM 0 HB VAL A 117 8.215 6.792 -8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.263 8.915 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.517 8.992 -9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.881 8.742 -9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.659 6.743 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.284 6.579 -8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.490 5.277 -7.947 1.00 0.00 H new ATOM 1645 N SER A 118 8.558 5.366 -11.430 1.00 0.00 N ATOM 1646 CA SER A 118 9.381 4.182 -11.760 1.00 0.00 C ATOM 1647 C SER A 118 10.651 4.579 -12.475 1.00 0.00 C ATOM 1648 O SER A 118 11.072 5.717 -12.421 1.00 0.00 O ATOM 1649 CB SER A 118 8.581 3.268 -12.684 1.00 0.00 C ATOM 1650 OG SER A 118 9.088 1.970 -12.411 1.00 0.00 O ATOM 0 H SER A 118 8.879 6.251 -11.822 1.00 0.00 H new ATOM 0 HA SER A 118 9.642 3.677 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.512 3.330 -12.478 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.720 3.538 -13.731 1.00 0.00 H new ATOM 0 HG SER A 118 8.344 1.364 -12.212 1.00 0.00 H new ATOM 1656 N LYS A 119 11.228 3.621 -13.142 1.00 0.00 N ATOM 1657 CA LYS A 119 12.483 3.878 -13.890 1.00 0.00 C ATOM 1658 C LYS A 119 12.344 3.407 -15.331 1.00 0.00 C ATOM 1659 O LYS A 119 13.301 3.387 -16.078 1.00 0.00 O ATOM 1660 CB LYS A 119 13.611 3.079 -13.216 1.00 0.00 C ATOM 1661 CG LYS A 119 13.688 3.464 -11.729 1.00 0.00 C ATOM 1662 CD LYS A 119 14.143 4.924 -11.595 1.00 0.00 C ATOM 1663 CE LYS A 119 14.777 5.125 -10.217 1.00 0.00 C ATOM 1664 NZ LYS A 119 15.972 4.250 -10.059 1.00 0.00 N ATOM 0 H LYS A 119 10.879 2.664 -13.200 1.00 0.00 H new ATOM 0 HA LYS A 119 12.700 4.946 -13.886 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.426 2.010 -13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.562 3.286 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.714 3.332 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.385 2.807 -11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.860 5.168 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.294 5.596 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 119 15.064 6.169 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.048 4.899 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.771 4.814 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 15.758 3.489 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 16.222 3.835 -10.979 1.00 0.00 H new ATOM 1678 N TYR A 120 11.145 3.034 -15.693 1.00 0.00 N ATOM 1679 CA TYR A 120 10.912 2.560 -17.074 1.00 0.00 C ATOM 1680 C TYR A 120 11.459 3.554 -18.090 1.00 0.00 C ATOM 1681 O TYR A 120 11.480 4.725 -17.745 1.00 0.00 O ATOM 1682 CB TYR A 120 9.403 2.421 -17.277 1.00 0.00 C ATOM 1683 CG TYR A 120 9.048 0.946 -17.468 1.00 0.00 C ATOM 1684 CD1 TYR A 120 9.037 0.082 -16.391 1.00 0.00 C ATOM 1685 CD2 TYR A 120 8.731 0.457 -18.719 1.00 0.00 C ATOM 1686 CE1 TYR A 120 8.715 -1.249 -16.562 1.00 0.00 C ATOM 1687 CE2 TYR A 120 8.409 -0.875 -18.891 1.00 0.00 C ATOM 1688 CZ TYR A 120 8.398 -1.737 -17.814 1.00 0.00 C ATOM 1689 OH TYR A 120 8.075 -3.068 -17.985 1.00 0.00 O ATOM 1690 OXT TYR A 120 11.826 3.091 -19.156 1.00 0.00 O ATOM 0 H TYR A 120 10.323 3.040 -15.089 1.00 0.00 H new ATOM 0 HA TYR A 120 11.420 1.607 -17.219 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.871 2.826 -16.416 1.00 0.00 H new ATOM 0 HB3 TYR A 120 9.088 2.998 -18.147 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.283 0.451 -15.406 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.735 1.121 -19.570 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.711 -1.913 -15.711 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.164 -1.244 -19.876 1.00 0.00 H new ATOM 0 HH TYR A 120 7.878 -3.238 -18.930 1.00 0.00 H new TER 1700 TYR A 120 END