USER MOD reduce.3.24.130724 H: found=0, std=0, add=1808, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1799 hydrogens (0 hets) HEADER LIGASE 26-SEP-00 1FXT TITLE STRUCTURE OF A CONJUGATING ENZYME-UBIQUITIN THIOLESTER TITLE 2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2-24 KDA; COMPND 3 CHAIN: A; COMPND 4 EC: 6.3.2.19; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: UBIQUITIN; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3A; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 0 ORGANISM_COMMON: HUMAN; SOURCE 1 ORGANISM_TAXID: 9606; SOURCE 2 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 3 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM_PLASMID: PET3A-HUB KEYWDS MODEL OF THE INTERACTION BETWEEN YEAST UBC1 AND UBIQUITIN KEYWDS 2 AFTER THE FORMATION OF A COVALENT THIOLESTER, LIGASE EXPDTA SOLUTION NMR AUTHOR K.S.HAMILTON,G.S.SHAW,R.S.WILLIAMS,J.T.HUZIL,S.MCKENNA, AUTHOR 2 C.PTAK,M.GLOVER,M.J.ELLISON REVDAT 2 24-FEB-09 1FXT 1 VERSN REVDAT 1 10-OCT-01 1FXT 0 JRNL AUTH K.S.HAMILTON,M.J.ELLISON,K.R.BARBER,R.S.WILLIAMS, JRNL AUTH 2 J.T.HUZIL,S.MCKENNA,C.PTAK,M.GLOVER,G.S.SHAW JRNL TITL STRUCTURE OF A CONJUGATING ENZYME-UBIQUITIN JRNL TITL 2 THIOLESTER INTERMEDIATE REVEALS A NOVEL ROLE FOR JRNL TITL 3 THE UBIQUITIN TAIL. JRNL REF STRUCTURE V. 9 897 2001 JRNL REFN ISSN 0969-2126 JRNL PMID 11591345 JRNL DOI 10.1016/S0969-2126(01)00657-8 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FXT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-OCT-00. REMARK 100 THE RCSB ID CODE IS RCSB011993. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 30 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : 450MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : YEAST UBC1; HUMAN UB REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : ENHANCED 1H-15N HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRDRAW 1, PIPP 1, STAPP 1 REMARK 210 METHOD USED : DYNAMIC DOCKING BETWEEN UBC1 REMARK 210 AND UB SYSTEM COVALENTLY BOUND REMARK 210 AND MINIMIZED REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: SPECTRA OF THIOLESTER FORMATION WERE ACQUIRED EVERY 10 REMARK 210 MINUTES DURING THE FIRST 60 MINUTES OF REACTION TIME UNTIL A REMARK 210 STABLE LEVEL OF COVALENT COMPLEX WAS FORMED 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 SG CYS A 88 C GLY B 76 1.79 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 21 CG HIS A 21 CD2 0.057 REMARK 500 HIS A 34 CG HIS A 34 CD2 0.055 REMARK 500 SER A 150 C SER A 150 OXT 0.136 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 ARG A 3 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 6 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 HIS A 21 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 HIS A 33 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 HIS A 34 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 HIS A 77 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 HIS A 129 ND1 - CE1 - NE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 ARG A 132 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES REMARK 500 ARG A 134 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 146 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 ARG B 42 NE - CZ - NH1 ANGL. DEV. = 4.5 DEGREES REMARK 500 ARG B 54 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG B 54 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 HIS B 68 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 ARG B 72 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG B 74 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 5 43.61 -84.34 REMARK 500 ARG A 6 -66.92 -142.92 REMARK 500 LEU A 24 79.90 -100.34 REMARK 500 SER A 28 -93.39 -81.13 REMARK 500 GLU A 29 -73.45 -136.82 REMARK 500 ASP A 31 -142.47 -83.89 REMARK 500 HIS A 33 -57.65 -159.20 REMARK 500 THR A 45 149.24 -173.93 REMARK 500 PRO A 46 -10.46 -47.08 REMARK 500 ASN A 94 -63.22 -120.30 REMARK 500 ASN A 119 -59.09 -126.73 REMARK 500 GLN A 122 -89.52 -105.77 REMARK 500 ARG A 134 42.86 -141.90 REMARK 500 GLU A 135 -60.57 -140.85 REMARK 500 LEU A 147 -65.02 -90.82 REMARK 500 LEU B 8 57.85 -96.01 REMARK 500 THR B 9 -33.65 -137.46 REMARK 500 PRO B 19 -18.35 -49.53 REMARK 500 ASP B 32 -85.48 -51.79 REMARK 500 ALA B 46 86.72 51.41 REMARK 500 LEU B 73 -136.12 -90.00 REMARK 500 ARG B 74 60.01 -152.70 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 TYR A 62 PRO A 63 33.01 REMARK 500 ASP A 133 ARG A 134 149.47 REMARK 500 VAL B 17 GLU B 18 147.08 REMARK 500 ILE B 23 GLU B 24 144.49 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 TYR A 47 0.08 SIDE_CHAIN REMARK 500 ARG B 42 0.08 SIDE_CHAIN REMARK 500 ARG B 72 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1FXT A 2 150 UNP P21734 UBC1_YEAST 2 150 DBREF 1FXT B 1 76 UNP P62988 UBIQ_HUMAN 1 76 SEQRES 1 A 149 SER ARG ALA LYS ARG ILE MET LYS GLU ILE GLN ALA VAL SEQRES 2 A 149 LYS ASP ASP PRO ALA ALA HIS ILE THR LEU GLU PHE VAL SEQRES 3 A 149 SER GLU SER ASP ILE HIS HIS LEU LYS GLY THR PHE LEU SEQRES 4 A 149 GLY PRO PRO GLY THR PRO TYR GLU GLY GLY LYS PHE VAL SEQRES 5 A 149 VAL ASP ILE GLU VAL PRO MET GLU TYR PRO PHE LYS PRO SEQRES 6 A 149 PRO LYS MET GLN PHE ASP THR LYS VAL TYR HIS PRO ASN SEQRES 7 A 149 ILE SER SER VAL THR GLY ALA ILE CYS LEU ASP ILE LEU SEQRES 8 A 149 LYS ASN ALA TRP SER PRO VAL ILE THR LEU LYS SER ALA SEQRES 9 A 149 LEU ILE SER LEU GLN ALA LEU LEU GLN SER PRO GLU PRO SEQRES 10 A 149 ASN ASP PRO GLN ASP ALA GLU VAL ALA GLN HIS TYR LEU SEQRES 11 A 149 ARG ASP ARG GLU SER PHE ASN LYS THR ALA ALA LEU TRP SEQRES 12 A 149 THR ARG LEU TYR ALA SER SEQRES 1 B 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 B 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 B 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 B 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 B 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 B 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY HELIX 1 1 ARG A 3 ASP A 17 1 15 HELIX 2 2 PRO A 18 HIS A 21 5 4 HELIX 3 3 LEU A 89 ASN A 94 1 6 HELIX 4 4 THR A 101 SER A 115 1 15 HELIX 5 5 ASP A 123 ASP A 133 1 11 HELIX 6 6 GLU A 135 ALA A 149 1 15 HELIX 7 7 THR B 22 GLU B 34 1 13 HELIX 8 8 LEU B 56 ASN B 60 5 5 SHEET 1 A 4 THR A 23 PHE A 26 0 SHEET 2 A 4 HIS A 34 LEU A 40 -1 N LYS A 36 O GLU A 25 SHEET 3 A 4 LYS A 51 GLU A 57 -1 N PHE A 52 O PHE A 39 SHEET 4 A 4 LYS A 68 PHE A 71 -1 N LYS A 68 O GLU A 57 SHEET 1 B 4 ILE B 13 GLU B 16 0 SHEET 2 B 4 GLN B 2 LYS B 6 -1 O ILE B 3 N LEU B 15 SHEET 3 B 4 THR B 66 LEU B 71 1 O LEU B 67 N LYS B 6 SHEET 4 B 4 GLN B 41 ILE B 44 -1 O ARG B 42 N VAL B 70 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: B 60 ASN : amide:sc= 0.00767 X(o=0.014,f=0.076) USER MOD Set 1.2: B 62 GLN : amide:sc= 0.00608 X(o=0.014,f=0.076) USER MOD Set 2.1: B 55 THR OG1 : rot -39:sc= 2.53 USER MOD Set 2.2: B 57 SER OG : rot -20:sc= 1.19 USER MOD Set 3.1: B 7 THR OG1 : rot -115:sc= 2.06 USER MOD Set 3.2: B 9 THR OG1 : rot -47:sc= 0.927 USER MOD Set 4.1: A 104 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 6 LYS NZ :NH3+ 157:sc= 0.986 (180deg=0.644) USER MOD Set 5.1: A 76 TYR OH : rot -170:sc= 0.118 USER MOD Set 5.2: A 129 HIS : no HE2:sc= 0.034 K(o=0.15,f=-1.6) USER MOD Set 6.1: A 81 SER OG : rot 87:sc= 2.39 USER MOD Set 6.2: A 84 THR OG1 : rot -42:sc= 1.16 USER MOD Set 7.1: A 47 TYR OH : rot -11:sc= 1.2 USER MOD Set 7.2: A 77 HIS : no HD1:sc= -0.0379 K(o=2.1,f=1.5) USER MOD Set 7.3: A 79 ASN : amide:sc= 0.895 X(o=2.1,f=2.4) USER MOD Set 8.1: A 45 THR OG1 : rot -1:sc= 0.988 USER MOD Set 8.2: A 114 GLN : amide:sc= 0.064 K(o=1.1,f=-0.77) USER MOD Set 9.1: A 23 THR OG1 : rot 155:sc= 2.23 USER MOD Set 9.2: A 38 THR OG1 : rot -82:sc= 0.948 USER MOD Set10.1: A 21 HIS : no HD1:sc= 0 X(o=0.67,f=0.51) USER MOD Set10.2: A 110 GLN : amide:sc= 0.666 K(o=0.67,f=-0.41) USER MOD Set11.1: A 12 GLN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Set11.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set12.1: A 5 LYS NZ :NH3+ 149:sc= -0.239 (180deg=0) USER MOD Set12.2: A 9 LYS NZ :NH3+ 140:sc= 0.324 (180deg=0.0148) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -86:sc= 1.48 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.048 X(o=-0.048,f=-0.083) USER MOD Single : A 34 HIS : no HD1:sc=-0.00239 K(o=-0.0024,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 2.3 (180deg=1.46) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 0.919 (180deg=0.151) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -165:sc= 1.17 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0.86 (180deg=0.599) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.516 K(o=0.52,f=-0.42) USER MOD Single : A 73 THR OG1 : rot -83:sc= 0.277 USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 1.94 (180deg=1.8) USER MOD Single : A 82 SER OG : rot -49:sc= 1.26 USER MOD Single : A 93 LYS NZ :NH3+ -141:sc= 0.41 (180deg=-1.42!) USER MOD Single : A 94 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 97 SER OG : rot -122:sc= 0.918 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= 2.3 (180deg=0.786) USER MOD Single : A 108 SER OG : rot -160:sc= -0.0696 USER MOD Single : A 115 SER OG : rot 7:sc= 0.571 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 122 GLN : amide:sc= 0.384 X(o=0.38,f=0) USER MOD Single : A 128 GLN : amide:sc= 0.332 X(o=0.33,f=-0.018) USER MOD Single : A 130 TYR OH : rot 125:sc= 1.24 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0.00681 K(o=0.0068,f=-1.2) USER MOD Single : A 139 LYS NZ :NH3+ -177:sc= 0.487 (180deg=0.446) USER MOD Single : A 140 THR OG1 : rot 78:sc= 0.196 USER MOD Single : A 145 THR OG1 : rot 129:sc= 0.988 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 65:sc= 0.576 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 179:sc= 0.187 (180deg=0.187) USER MOD Single : B 2 GLN : amide:sc= 0.0948 X(o=0.095,f=0) USER MOD Single : B 11 LYS NZ :NH3+ -172:sc= 0.364 (180deg=-0.00136) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 64:sc= 1.2 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 175:sc= 1.45 USER MOD Single : B 25 ASN : amide:sc=-0.00869 K(o=-0.0087,f=-0.72) USER MOD Single : B 27 LYS NZ :NH3+ -164:sc= 2.23 (180deg=1.71) USER MOD Single : B 29 LYS NZ :NH3+ -171:sc= 2.17 (180deg=1.7) USER MOD Single : B 31 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 33 LYS NZ :NH3+ -176:sc= 1.91 (180deg=1.89) USER MOD Single : B 40 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 41 GLN : amide:sc= 0.567 K(o=0.57,f=-3.6!) USER MOD Single : B 48 LYS NZ :NH3+ 158:sc= 0.42 (180deg=0.264) USER MOD Single : B 49 GLN : amide:sc= 0.718 K(o=0.72,f=-0.68) USER MOD Single : B 59 TYR OH : rot 70:sc= -0.0879 USER MOD Single : B 63 LYS NZ :NH3+ 157:sc= -0.285! (180deg=-0.93) USER MOD Single : B 65 SER OG : rot 86:sc= 1.14 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 26.944 -2.225 -0.869 1.00 42.89 N ATOM 2 CA SER A 2 27.249 -0.901 -0.273 1.00 41.35 C ATOM 3 C SER A 2 25.952 -0.091 0.013 1.00 40.66 C ATOM 4 O SER A 2 25.183 0.215 -0.904 1.00 40.83 O ATOM 5 CB SER A 2 28.215 -0.154 -1.220 1.00 41.27 C ATOM 6 OG SER A 2 28.627 1.088 -0.644 1.00 40.66 O ATOM 0 HA SER A 2 27.732 -1.031 0.695 1.00 41.35 H new ATOM 0 HB2 SER A 2 29.088 -0.775 -1.421 1.00 41.27 H new ATOM 0 HB3 SER A 2 27.726 0.028 -2.177 1.00 41.27 H new ATOM 0 HG SER A 2 29.239 1.546 -1.257 1.00 40.66 H new ATOM 13 N ARG A 3 25.740 0.315 1.280 1.00 38.31 N ATOM 14 CA ARG A 3 24.546 1.126 1.679 1.00 35.58 C ATOM 15 C ARG A 3 24.390 2.540 1.004 1.00 34.24 C ATOM 16 O ARG A 3 23.261 2.943 0.702 1.00 33.06 O ATOM 17 CB ARG A 3 24.485 1.132 3.237 1.00 35.43 C ATOM 18 CG ARG A 3 23.211 1.788 3.835 1.00 35.79 C ATOM 19 CD ARG A 3 22.869 1.402 5.285 1.00 35.14 C ATOM 20 NE ARG A 3 23.687 2.094 6.327 1.00 35.74 N ATOM 21 CZ ARG A 3 23.319 2.236 7.604 1.00 39.15 C ATOM 22 NH1 ARG A 3 22.246 1.724 8.103 1.00 38.99 N ATOM 23 NH2 ARG A 3 24.041 2.935 8.408 1.00 39.87 N ATOM 0 H ARG A 3 26.372 0.101 2.052 1.00 38.31 H new ATOM 0 HA ARG A 3 23.659 0.641 1.270 1.00 35.58 H new ATOM 0 HB2 ARG A 3 24.549 0.104 3.593 1.00 35.43 H new ATOM 0 HB3 ARG A 3 25.361 1.657 3.619 1.00 35.43 H new ATOM 0 HG2 ARG A 3 23.327 2.871 3.786 1.00 35.79 H new ATOM 0 HG3 ARG A 3 22.362 1.530 3.202 1.00 35.79 H new ATOM 0 HD2 ARG A 3 21.816 1.620 5.466 1.00 35.14 H new ATOM 0 HD3 ARG A 3 22.996 0.325 5.399 1.00 35.14 H new ATOM 0 HE ARG A 3 24.586 2.484 6.045 1.00 35.74 H new ATOM 0 HH11 ARG A 3 21.622 1.173 7.513 1.00 38.99 H new ATOM 0 HH12 ARG A 3 22.021 1.870 9.087 1.00 38.99 H new ATOM 0 HH21 ARG A 3 24.894 3.381 8.071 1.00 39.87 H new ATOM 0 HH22 ARG A 3 23.760 3.043 9.383 1.00 39.87 H new ATOM 37 N ALA A 4 25.494 3.255 0.724 1.00 33.94 N ATOM 38 CA ALA A 4 25.486 4.445 -0.170 1.00 34.12 C ATOM 39 C ALA A 4 25.005 4.206 -1.645 1.00 34.28 C ATOM 40 O ALA A 4 24.138 4.940 -2.127 1.00 35.05 O ATOM 41 CB ALA A 4 26.898 5.055 -0.085 1.00 34.43 C ATOM 0 H ALA A 4 26.414 3.033 1.104 1.00 33.94 H new ATOM 0 HA ALA A 4 24.721 5.136 0.183 1.00 34.12 H new ATOM 0 HB1 ALA A 4 26.953 5.936 -0.724 1.00 34.43 H new ATOM 0 HB2 ALA A 4 27.110 5.340 0.946 1.00 34.43 H new ATOM 0 HB3 ALA A 4 27.632 4.321 -0.416 1.00 34.43 H new ATOM 47 N LYS A 5 25.489 3.154 -2.336 1.00 0.00 N ATOM 48 CA LYS A 5 24.958 2.754 -3.679 1.00 0.00 C ATOM 49 C LYS A 5 23.672 1.827 -3.632 1.00 0.00 C ATOM 50 O LYS A 5 23.516 0.875 -4.406 1.00 0.00 O ATOM 51 CB LYS A 5 26.185 2.181 -4.454 1.00 0.00 C ATOM 52 CG LYS A 5 26.063 2.145 -6.001 1.00 0.00 C ATOM 53 CD LYS A 5 26.000 0.723 -6.590 1.00 0.00 C ATOM 54 CE LYS A 5 25.767 0.740 -8.110 1.00 0.00 C ATOM 55 NZ LYS A 5 25.337 -0.598 -8.564 1.00 0.00 N ATOM 0 H LYS A 5 26.245 2.560 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 5 24.546 3.609 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 5 27.062 2.774 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 5 26.370 1.166 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 5 25.167 2.690 -6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 5 26.914 2.670 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 5 26.930 0.198 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 5 25.198 0.165 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 5 25.009 1.481 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 5 26.682 1.032 -8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 24.706 -0.500 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 26.171 -1.158 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.830 -1.080 -7.794 1.00 0.00 H new ATOM 68 N ARG A 6 22.706 2.157 -2.758 1.00 28.45 N ATOM 69 CA ARG A 6 21.451 1.382 -2.543 1.00 27.02 C ATOM 70 C ARG A 6 20.263 2.368 -2.282 1.00 26.11 C ATOM 71 O ARG A 6 19.399 2.493 -3.151 1.00 25.89 O ATOM 72 CB ARG A 6 21.665 0.301 -1.435 1.00 27.38 C ATOM 73 CG ARG A 6 20.962 -1.066 -1.617 1.00 26.85 C ATOM 74 CD ARG A 6 19.430 -1.046 -1.773 1.00 25.77 C ATOM 75 NE ARG A 6 18.897 -2.421 -1.531 1.00 26.21 N ATOM 76 CZ ARG A 6 17.619 -2.724 -1.349 1.00 25.88 C ATOM 77 NH1 ARG A 6 16.646 -1.894 -1.513 1.00 26.07 N ATOM 78 NH2 ARG A 6 17.299 -3.919 -0.980 1.00 27.81 N ATOM 0 H ARG A 6 22.768 2.984 -2.165 1.00 28.45 H new ATOM 0 HA ARG A 6 21.182 0.822 -3.438 1.00 27.02 H new ATOM 0 HB2 ARG A 6 22.736 0.118 -1.348 1.00 27.38 H new ATOM 0 HB3 ARG A 6 21.335 0.724 -0.486 1.00 27.38 H new ATOM 0 HG2 ARG A 6 21.386 -1.551 -2.496 1.00 26.85 H new ATOM 0 HG3 ARG A 6 21.207 -1.691 -0.758 1.00 26.85 H new ATOM 0 HD2 ARG A 6 18.989 -0.342 -1.067 1.00 25.77 H new ATOM 0 HD3 ARG A 6 19.158 -0.708 -2.773 1.00 25.77 H new ATOM 0 HE ARG A 6 19.570 -3.187 -1.504 1.00 26.21 H new ATOM 0 HH11 ARG A 6 16.837 -0.934 -1.801 1.00 26.07 H new ATOM 0 HH12 ARG A 6 15.685 -2.197 -1.355 1.00 26.07 H new ATOM 0 HH21 ARG A 6 18.026 -4.619 -0.831 1.00 27.81 H new ATOM 0 HH22 ARG A 6 16.319 -4.163 -0.837 1.00 27.81 H new ATOM 92 N ILE A 7 20.253 3.109 -1.149 1.00 23.77 N ATOM 93 CA ILE A 7 19.169 4.096 -0.816 1.00 22.43 C ATOM 94 C ILE A 7 18.952 5.254 -1.847 1.00 22.86 C ATOM 95 O ILE A 7 17.798 5.540 -2.156 1.00 23.15 O ATOM 96 CB ILE A 7 19.310 4.560 0.688 1.00 22.14 C ATOM 97 CG1 ILE A 7 18.812 3.493 1.707 1.00 22.56 C ATOM 98 CG2 ILE A 7 18.677 5.929 1.067 1.00 21.71 C ATOM 99 CD1 ILE A 7 17.304 3.146 1.658 1.00 24.45 C ATOM 0 H ILE A 7 20.983 3.050 -0.439 1.00 23.77 H new ATOM 0 HA ILE A 7 18.222 3.565 -0.917 1.00 22.43 H new ATOM 0 HB ILE A 7 20.390 4.690 0.759 1.00 22.14 H new ATOM 0 HG12 ILE A 7 19.379 2.576 1.546 1.00 22.56 H new ATOM 0 HG13 ILE A 7 19.050 3.843 2.712 1.00 22.56 H new ATOM 0 HG21 ILE A 7 18.845 6.127 2.126 1.00 21.71 H new ATOM 0 HG22 ILE A 7 19.136 6.719 0.473 1.00 21.71 H new ATOM 0 HG23 ILE A 7 17.606 5.902 0.869 1.00 21.71 H new ATOM 0 HD11 ILE A 7 17.079 2.393 2.413 1.00 24.45 H new ATOM 0 HD12 ILE A 7 16.718 4.043 1.855 1.00 24.45 H new ATOM 0 HD13 ILE A 7 17.052 2.757 0.671 1.00 24.45 H new ATOM 111 N MET A 8 19.984 5.904 -2.417 1.00 22.81 N ATOM 112 CA MET A 8 19.782 6.941 -3.488 1.00 24.49 C ATOM 113 C MET A 8 19.007 6.501 -4.796 1.00 23.42 C ATOM 114 O MET A 8 18.418 7.344 -5.477 1.00 23.06 O ATOM 115 CB MET A 8 21.142 7.611 -3.829 1.00 27.02 C ATOM 116 CG MET A 8 21.892 8.308 -2.667 1.00 29.32 C ATOM 117 SD MET A 8 20.802 9.312 -1.625 1.00 33.71 S ATOM 118 CE MET A 8 20.469 10.713 -2.705 1.00 31.33 C ATOM 0 H MET A 8 20.960 5.744 -2.169 1.00 22.81 H new ATOM 0 HA MET A 8 19.089 7.655 -3.043 1.00 24.49 H new ATOM 0 HB2 MET A 8 21.799 6.849 -4.248 1.00 27.02 H new ATOM 0 HB3 MET A 8 20.969 8.349 -4.612 1.00 27.02 H new ATOM 0 HG2 MET A 8 22.380 7.552 -2.051 1.00 29.32 H new ATOM 0 HG3 MET A 8 22.679 8.941 -3.077 1.00 29.32 H new ATOM 0 HE1 MET A 8 19.809 11.416 -2.196 1.00 31.33 H new ATOM 0 HE2 MET A 8 21.406 11.211 -2.955 1.00 31.33 H new ATOM 0 HE3 MET A 8 19.990 10.362 -3.619 1.00 31.33 H new ATOM 128 N LYS A 9 18.968 5.194 -5.115 1.00 22.94 N ATOM 129 CA LYS A 9 17.995 4.608 -6.089 1.00 23.04 C ATOM 130 C LYS A 9 16.499 4.613 -5.598 1.00 22.02 C ATOM 131 O LYS A 9 15.625 5.078 -6.331 1.00 21.85 O ATOM 132 CB LYS A 9 18.483 3.168 -6.432 1.00 23.97 C ATOM 133 CG LYS A 9 19.868 3.051 -7.127 1.00 27.24 C ATOM 134 CD LYS A 9 20.544 1.692 -6.850 1.00 28.97 C ATOM 135 CE LYS A 9 21.962 1.622 -7.442 1.00 29.80 C ATOM 136 NZ LYS A 9 22.596 0.336 -7.044 1.00 32.15 N ATOM 0 H LYS A 9 19.604 4.506 -4.712 1.00 22.94 H new ATOM 0 HA LYS A 9 17.979 5.240 -6.977 1.00 23.04 H new ATOM 0 HB2 LYS A 9 18.515 2.590 -5.508 1.00 23.97 H new ATOM 0 HB3 LYS A 9 17.738 2.700 -7.075 1.00 23.97 H new ATOM 0 HG2 LYS A 9 19.746 3.182 -8.202 1.00 27.24 H new ATOM 0 HG3 LYS A 9 20.516 3.855 -6.780 1.00 27.24 H new ATOM 0 HD2 LYS A 9 20.592 1.523 -5.774 1.00 28.97 H new ATOM 0 HD3 LYS A 9 19.935 0.892 -7.271 1.00 28.97 H new ATOM 0 HE2 LYS A 9 21.920 1.699 -8.528 1.00 29.80 H new ATOM 0 HE3 LYS A 9 22.559 2.461 -7.086 1.00 29.80 H new ATOM 0 HZ1 LYS A 9 23.135 -0.048 -7.846 1.00 32.15 H new ATOM 0 HZ2 LYS A 9 23.237 0.499 -6.242 1.00 32.15 H new ATOM 0 HZ3 LYS A 9 21.859 -0.343 -6.766 1.00 32.15 H new ATOM 150 N GLU A 10 16.211 4.134 -4.373 1.00 20.95 N ATOM 151 CA GLU A 10 14.908 4.349 -3.672 1.00 19.96 C ATOM 152 C GLU A 10 14.452 5.840 -3.466 1.00 20.80 C ATOM 153 O GLU A 10 13.288 6.152 -3.736 1.00 22.62 O ATOM 154 CB GLU A 10 14.985 3.550 -2.335 1.00 17.67 C ATOM 155 CG GLU A 10 14.841 2.009 -2.488 1.00 14.82 C ATOM 156 CD GLU A 10 15.744 1.149 -1.633 1.00 15.22 C ATOM 157 OE1 GLU A 10 16.861 0.820 -2.082 1.00 15.66 O ATOM 158 OE2 GLU A 10 15.333 0.690 -0.550 1.00 15.65 O ATOM 0 H GLU A 10 16.874 3.582 -3.829 1.00 20.95 H new ATOM 0 HA GLU A 10 14.116 3.982 -4.324 1.00 19.96 H new ATOM 0 HB2 GLU A 10 15.939 3.766 -1.853 1.00 17.67 H new ATOM 0 HB3 GLU A 10 14.202 3.910 -1.667 1.00 17.67 H new ATOM 0 HG2 GLU A 10 13.808 1.741 -2.266 1.00 14.82 H new ATOM 0 HG3 GLU A 10 15.019 1.754 -3.533 1.00 14.82 H new ATOM 165 N ILE A 11 15.340 6.771 -3.060 1.00 20.73 N ATOM 166 CA ILE A 11 15.040 8.244 -3.000 1.00 22.31 C ATOM 167 C ILE A 11 14.605 8.853 -4.385 1.00 23.30 C ATOM 168 O ILE A 11 13.528 9.451 -4.457 1.00 24.57 O ATOM 169 CB ILE A 11 16.205 9.060 -2.314 1.00 22.63 C ATOM 170 CG1 ILE A 11 16.686 8.552 -0.923 1.00 22.57 C ATOM 171 CG2 ILE A 11 15.916 10.582 -2.185 1.00 22.92 C ATOM 172 CD1 ILE A 11 15.619 8.419 0.176 1.00 25.47 C ATOM 0 H ILE A 11 16.287 6.539 -2.762 1.00 20.73 H new ATOM 0 HA ILE A 11 14.165 8.344 -2.358 1.00 22.31 H new ATOM 0 HB ILE A 11 17.012 8.881 -3.025 1.00 22.63 H new ATOM 0 HG12 ILE A 11 17.154 7.577 -1.061 1.00 22.57 H new ATOM 0 HG13 ILE A 11 17.461 9.230 -0.564 1.00 22.57 H new ATOM 0 HG21 ILE A 11 16.762 11.074 -1.704 1.00 22.92 H new ATOM 0 HG22 ILE A 11 15.764 11.009 -3.176 1.00 22.92 H new ATOM 0 HG23 ILE A 11 15.019 10.732 -1.584 1.00 22.92 H new ATOM 0 HD11 ILE A 11 16.084 8.057 1.093 1.00 25.47 H new ATOM 0 HD12 ILE A 11 15.163 9.392 0.360 1.00 25.47 H new ATOM 0 HD13 ILE A 11 14.852 7.714 -0.145 1.00 25.47 H new ATOM 184 N GLN A 12 15.395 8.697 -5.468 1.00 25.27 N ATOM 185 CA GLN A 12 14.980 9.140 -6.835 1.00 26.02 C ATOM 186 C GLN A 12 13.708 8.424 -7.415 1.00 25.62 C ATOM 187 O GLN A 12 12.783 9.110 -7.845 1.00 24.73 O ATOM 188 CB GLN A 12 16.219 9.097 -7.772 1.00 27.75 C ATOM 189 CG GLN A 12 16.023 9.741 -9.177 1.00 32.69 C ATOM 190 CD GLN A 12 15.717 11.246 -9.193 1.00 34.73 C ATOM 191 OE1 GLN A 12 16.485 12.075 -8.711 1.00 37.10 O ATOM 192 NE2 GLN A 12 14.601 11.653 -9.739 1.00 34.96 N ATOM 0 H GLN A 12 16.321 8.271 -5.433 1.00 25.27 H new ATOM 0 HA GLN A 12 14.630 10.169 -6.758 1.00 26.02 H new ATOM 0 HB2 GLN A 12 17.047 9.601 -7.273 1.00 27.75 H new ATOM 0 HB3 GLN A 12 16.514 8.056 -7.907 1.00 27.75 H new ATOM 0 HG2 GLN A 12 16.926 9.568 -9.763 1.00 32.69 H new ATOM 0 HG3 GLN A 12 15.210 9.220 -9.683 1.00 32.69 H new ATOM 0 HE21 GLN A 12 13.954 10.976 -10.143 1.00 34.96 H new ATOM 0 HE22 GLN A 12 14.377 12.648 -9.761 1.00 34.96 H new ATOM 201 N ALA A 13 13.606 7.082 -7.365 1.00 24.92 N ATOM 202 CA ALA A 13 12.354 6.362 -7.733 1.00 24.97 C ATOM 203 C ALA A 13 11.035 6.722 -6.955 1.00 25.12 C ATOM 204 O ALA A 13 9.956 6.651 -7.545 1.00 24.42 O ATOM 205 CB ALA A 13 12.687 4.860 -7.638 1.00 25.25 C ATOM 0 H ALA A 13 14.368 6.469 -7.075 1.00 24.92 H new ATOM 0 HA ALA A 13 12.082 6.690 -8.736 1.00 24.97 H new ATOM 0 HB1 ALA A 13 11.805 4.275 -7.897 1.00 25.25 H new ATOM 0 HB2 ALA A 13 13.496 4.622 -8.329 1.00 25.25 H new ATOM 0 HB3 ALA A 13 12.996 4.619 -6.621 1.00 25.25 H new ATOM 211 N VAL A 14 11.095 7.090 -5.665 1.00 24.02 N ATOM 212 CA VAL A 14 9.960 7.754 -4.937 1.00 23.59 C ATOM 213 C VAL A 14 9.710 9.255 -5.359 1.00 23.09 C ATOM 214 O VAL A 14 8.553 9.640 -5.532 1.00 22.61 O ATOM 215 CB VAL A 14 10.150 7.522 -3.392 1.00 23.13 C ATOM 216 CG1 VAL A 14 9.136 8.278 -2.507 1.00 23.49 C ATOM 217 CG2 VAL A 14 10.021 6.035 -2.984 1.00 21.58 C ATOM 0 H VAL A 14 11.921 6.944 -5.084 1.00 24.02 H new ATOM 0 HA VAL A 14 9.024 7.283 -5.237 1.00 23.59 H new ATOM 0 HB VAL A 14 11.158 7.901 -3.223 1.00 23.13 H new ATOM 0 HG11 VAL A 14 9.338 8.063 -1.458 1.00 23.49 H new ATOM 0 HG12 VAL A 14 9.228 9.350 -2.682 1.00 23.49 H new ATOM 0 HG13 VAL A 14 8.125 7.956 -2.756 1.00 23.49 H new ATOM 0 HG21 VAL A 14 10.162 5.940 -1.907 1.00 21.58 H new ATOM 0 HG22 VAL A 14 9.031 5.668 -3.254 1.00 21.58 H new ATOM 0 HG23 VAL A 14 10.779 5.448 -3.502 1.00 21.58 H new ATOM 227 N LYS A 15 10.752 10.090 -5.521 1.00 0.00 N ATOM 228 CA LYS A 15 10.646 11.458 -6.124 1.00 0.00 C ATOM 229 C LYS A 15 9.940 11.572 -7.530 1.00 0.00 C ATOM 230 O LYS A 15 9.062 12.425 -7.692 1.00 0.00 O ATOM 231 CB LYS A 15 12.103 12.006 -6.097 1.00 0.00 C ATOM 232 CG LYS A 15 12.343 13.442 -6.616 1.00 0.00 C ATOM 233 CD LYS A 15 13.849 13.774 -6.621 1.00 0.00 C ATOM 234 CE LYS A 15 14.174 15.063 -7.384 1.00 0.00 C ATOM 235 NZ LYS A 15 15.642 15.201 -7.478 1.00 0.00 N ATOM 0 H LYS A 15 11.702 9.846 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 15 9.953 12.063 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.460 11.958 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.726 11.330 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.940 13.542 -7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.810 14.155 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.198 13.869 -5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.397 12.945 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.733 15.034 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.746 15.924 -6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.876 16.073 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.048 15.245 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.036 14.382 -7.984 1.00 0.00 H new ATOM 248 N ASP A 16 10.289 10.721 -8.511 1.00 23.36 N ATOM 249 CA ASP A 16 9.591 10.657 -9.834 1.00 22.84 C ATOM 250 C ASP A 16 8.085 10.167 -9.835 1.00 22.05 C ATOM 251 O ASP A 16 7.337 10.502 -10.760 1.00 21.96 O ATOM 252 CB ASP A 16 10.447 9.769 -10.784 1.00 22.80 C ATOM 253 CG ASP A 16 11.835 10.285 -11.167 1.00 23.85 C ATOM 254 OD1 ASP A 16 11.944 11.382 -11.751 1.00 25.87 O ATOM 255 OD2 ASP A 16 12.835 9.589 -10.878 1.00 22.33 O ATOM 0 H ASP A 16 11.057 10.056 -8.423 1.00 23.36 H new ATOM 0 HA ASP A 16 9.511 11.691 -10.171 1.00 22.84 H new ATOM 0 HB2 ASP A 16 10.568 8.793 -10.315 1.00 22.80 H new ATOM 0 HB3 ASP A 16 9.880 9.613 -11.702 1.00 22.80 H new ATOM 260 N ASP A 17 7.636 9.375 -8.839 1.00 21.55 N ATOM 261 CA ASP A 17 6.304 8.700 -8.842 1.00 22.86 C ATOM 262 C ASP A 17 5.406 9.089 -7.599 1.00 24.45 C ATOM 263 O ASP A 17 5.389 8.356 -6.598 1.00 24.84 O ATOM 264 CB ASP A 17 6.641 7.191 -8.954 1.00 20.99 C ATOM 265 CG ASP A 17 5.510 6.172 -9.067 1.00 23.26 C ATOM 266 OD1 ASP A 17 4.313 6.510 -8.977 1.00 22.96 O ATOM 267 OD2 ASP A 17 5.857 4.975 -9.176 1.00 24.92 O ATOM 0 H ASP A 17 8.184 9.179 -8.001 1.00 21.55 H new ATOM 0 HA ASP A 17 5.675 9.020 -9.673 1.00 22.86 H new ATOM 0 HB2 ASP A 17 7.283 7.064 -9.826 1.00 20.99 H new ATOM 0 HB3 ASP A 17 7.235 6.924 -8.080 1.00 20.99 H new ATOM 272 N PRO A 18 4.573 10.173 -7.646 1.00 24.74 N ATOM 273 CA PRO A 18 3.467 10.389 -6.662 1.00 25.72 C ATOM 274 C PRO A 18 2.308 9.334 -6.557 1.00 26.30 C ATOM 275 O PRO A 18 1.699 9.202 -5.491 1.00 27.19 O ATOM 276 CB PRO A 18 2.943 11.780 -7.080 1.00 25.13 C ATOM 277 CG PRO A 18 4.099 12.451 -7.824 1.00 25.93 C ATOM 278 CD PRO A 18 4.776 11.304 -8.571 1.00 25.10 C ATOM 0 HA PRO A 18 3.863 10.290 -5.651 1.00 25.72 H new ATOM 0 HB2 PRO A 18 2.065 11.692 -7.719 1.00 25.13 H new ATOM 0 HB3 PRO A 18 2.646 12.364 -6.209 1.00 25.13 H new ATOM 0 HG2 PRO A 18 3.740 13.217 -8.511 1.00 25.93 H new ATOM 0 HG3 PRO A 18 4.787 12.939 -7.134 1.00 25.93 H new ATOM 0 HD2 PRO A 18 4.317 11.123 -9.543 1.00 25.10 H new ATOM 0 HD3 PRO A 18 5.833 11.501 -8.749 1.00 25.10 H new ATOM 286 N ALA A 19 1.992 8.599 -7.642 1.00 26.32 N ATOM 287 CA ALA A 19 1.005 7.480 -7.616 1.00 26.28 C ATOM 288 C ALA A 19 1.299 6.270 -6.659 1.00 26.81 C ATOM 289 O ALA A 19 0.364 5.709 -6.083 1.00 28.68 O ATOM 290 CB ALA A 19 0.833 7.037 -9.081 1.00 25.36 C ATOM 0 H ALA A 19 2.407 8.756 -8.561 1.00 26.32 H new ATOM 0 HA ALA A 19 0.088 7.864 -7.169 1.00 26.28 H new ATOM 0 HB1 ALA A 19 0.119 6.215 -9.131 1.00 25.36 H new ATOM 0 HB2 ALA A 19 0.465 7.875 -9.674 1.00 25.36 H new ATOM 0 HB3 ALA A 19 1.794 6.707 -9.477 1.00 25.36 H new ATOM 296 N ALA A 20 2.574 5.916 -6.429 1.00 27.32 N ATOM 297 CA ALA A 20 2.987 5.012 -5.321 1.00 27.48 C ATOM 298 C ALA A 20 2.731 5.441 -3.824 1.00 28.21 C ATOM 299 O ALA A 20 2.912 4.607 -2.934 1.00 28.58 O ATOM 300 CB ALA A 20 4.485 4.782 -5.594 1.00 27.81 C ATOM 0 H ALA A 20 3.353 6.243 -7.000 1.00 27.32 H new ATOM 0 HA ALA A 20 2.344 4.132 -5.353 1.00 27.48 H new ATOM 0 HB1 ALA A 20 4.897 4.123 -4.830 1.00 27.81 H new ATOM 0 HB2 ALA A 20 4.610 4.323 -6.575 1.00 27.81 H new ATOM 0 HB3 ALA A 20 5.010 5.737 -5.571 1.00 27.81 H new ATOM 306 N HIS A 21 2.324 6.694 -3.525 1.00 28.09 N ATOM 307 CA HIS A 21 1.876 7.144 -2.159 1.00 27.85 C ATOM 308 C HIS A 21 2.954 7.300 -1.016 1.00 26.34 C ATOM 309 O HIS A 21 2.589 7.517 0.145 1.00 25.67 O ATOM 310 CB HIS A 21 0.619 6.347 -1.672 1.00 31.38 C ATOM 311 CG HIS A 21 -0.700 6.445 -2.444 1.00 34.55 C ATOM 312 ND1 HIS A 21 -1.814 5.727 -2.034 1.00 35.94 N ATOM 313 CD2 HIS A 21 -1.017 7.242 -3.564 1.00 34.79 C ATOM 314 CE1 HIS A 21 -2.717 6.151 -2.971 1.00 36.59 C ATOM 315 NE2 HIS A 21 -2.342 7.064 -3.919 1.00 36.52 N ATOM 0 H HIS A 21 2.291 7.439 -4.221 1.00 28.09 H new ATOM 0 HA HIS A 21 1.615 8.185 -2.347 1.00 27.85 H new ATOM 0 HB2 HIS A 21 0.897 5.294 -1.639 1.00 31.38 H new ATOM 0 HB3 HIS A 21 0.417 6.656 -0.646 1.00 31.38 H new ATOM 0 HD2 HIS A 21 -0.324 7.897 -4.071 1.00 34.79 H new ATOM 0 HE1 HIS A 21 -3.726 5.765 -2.962 1.00 36.59 H new ATOM 0 HE2 HIS A 21 -2.884 7.490 -4.671 1.00 36.52 H new ATOM 323 N ILE A 22 4.262 7.227 -1.315 1.00 23.73 N ATOM 324 CA ILE A 22 5.343 7.176 -0.280 1.00 22.37 C ATOM 325 C ILE A 22 6.101 8.548 -0.203 1.00 21.40 C ATOM 326 O ILE A 22 6.483 9.114 -1.232 1.00 21.29 O ATOM 327 CB ILE A 22 6.306 5.950 -0.547 1.00 22.13 C ATOM 328 CG1 ILE A 22 5.617 4.557 -0.705 1.00 22.60 C ATOM 329 CG2 ILE A 22 7.429 5.801 0.516 1.00 21.43 C ATOM 330 CD1 ILE A 22 4.611 4.183 0.398 1.00 24.03 C ATOM 0 H ILE A 22 4.613 7.201 -2.272 1.00 23.73 H new ATOM 0 HA ILE A 22 4.896 7.015 0.701 1.00 22.37 H new ATOM 0 HB ILE A 22 6.727 6.224 -1.515 1.00 22.13 H new ATOM 0 HG12 ILE A 22 5.101 4.534 -1.665 1.00 22.60 H new ATOM 0 HG13 ILE A 22 6.391 3.791 -0.740 1.00 22.60 H new ATOM 0 HG21 ILE A 22 8.051 4.940 0.270 1.00 21.43 H new ATOM 0 HG22 ILE A 22 8.043 6.702 0.525 1.00 21.43 H new ATOM 0 HG23 ILE A 22 6.982 5.656 1.500 1.00 21.43 H new ATOM 0 HD11 ILE A 22 4.193 3.198 0.190 1.00 24.03 H new ATOM 0 HD12 ILE A 22 5.118 4.166 1.363 1.00 24.03 H new ATOM 0 HD13 ILE A 22 3.808 4.920 0.424 1.00 24.03 H new ATOM 342 N THR A 23 6.418 9.034 1.008 1.00 20.28 N ATOM 343 CA THR A 23 7.580 9.959 1.218 1.00 20.27 C ATOM 344 C THR A 23 8.749 9.186 1.913 1.00 21.16 C ATOM 345 O THR A 23 8.560 8.568 2.966 1.00 20.86 O ATOM 346 CB THR A 23 7.257 11.279 1.990 1.00 19.65 C ATOM 347 OG1 THR A 23 6.976 11.054 3.366 1.00 23.75 O ATOM 348 CG2 THR A 23 6.104 12.120 1.426 1.00 19.11 C ATOM 0 H THR A 23 5.901 8.814 1.859 1.00 20.28 H new ATOM 0 HA THR A 23 7.872 10.291 0.222 1.00 20.27 H new ATOM 0 HB THR A 23 8.180 11.844 1.858 1.00 19.65 H new ATOM 0 HG1 THR A 23 7.175 11.866 3.878 1.00 23.75 H new ATOM 0 HG21 THR A 23 5.969 13.011 2.040 1.00 19.11 H new ATOM 0 HG22 THR A 23 6.336 12.416 0.403 1.00 19.11 H new ATOM 0 HG23 THR A 23 5.187 11.532 1.434 1.00 19.11 H new ATOM 356 N LEU A 24 9.965 9.234 1.346 1.00 20.86 N ATOM 357 CA LEU A 24 11.203 8.834 2.081 1.00 22.29 C ATOM 358 C LEU A 24 11.942 10.120 2.589 1.00 23.31 C ATOM 359 O LEU A 24 12.899 10.602 1.974 1.00 24.52 O ATOM 360 CB LEU A 24 12.077 7.910 1.181 1.00 19.51 C ATOM 361 CG LEU A 24 11.500 6.536 0.747 1.00 19.91 C ATOM 362 CD1 LEU A 24 12.502 5.804 -0.159 1.00 15.26 C ATOM 363 CD2 LEU A 24 11.140 5.615 1.921 1.00 20.39 C ATOM 0 H LEU A 24 10.130 9.542 0.388 1.00 20.86 H new ATOM 0 HA LEU A 24 10.961 8.246 2.966 1.00 22.29 H new ATOM 0 HB2 LEU A 24 12.324 8.466 0.277 1.00 19.51 H new ATOM 0 HB3 LEU A 24 13.013 7.725 1.707 1.00 19.51 H new ATOM 0 HG LEU A 24 10.576 6.760 0.214 1.00 19.91 H new ATOM 0 HD11 LEU A 24 12.087 4.841 -0.457 1.00 15.26 H new ATOM 0 HD12 LEU A 24 12.697 6.406 -1.047 1.00 15.26 H new ATOM 0 HD13 LEU A 24 13.434 5.645 0.383 1.00 15.26 H new ATOM 0 HD21 LEU A 24 10.744 4.675 1.538 1.00 20.39 H new ATOM 0 HD22 LEU A 24 12.032 5.417 2.515 1.00 20.39 H new ATOM 0 HD23 LEU A 24 10.388 6.098 2.545 1.00 20.39 H new ATOM 375 N GLU A 25 11.460 10.687 3.708 1.00 24.79 N ATOM 376 CA GLU A 25 11.914 12.007 4.229 1.00 25.43 C ATOM 377 C GLU A 25 12.952 11.835 5.396 1.00 23.67 C ATOM 378 O GLU A 25 12.678 11.201 6.421 1.00 23.47 O ATOM 379 CB GLU A 25 10.652 12.878 4.528 1.00 27.90 C ATOM 380 CG GLU A 25 9.686 12.416 5.658 1.00 33.43 C ATOM 381 CD GLU A 25 8.304 13.036 5.717 1.00 38.69 C ATOM 382 OE1 GLU A 25 7.612 13.125 4.683 1.00 42.16 O ATOM 383 OE2 GLU A 25 7.829 13.350 6.826 1.00 42.70 O ATOM 0 H GLU A 25 10.742 10.249 4.285 1.00 24.79 H new ATOM 0 HA GLU A 25 12.488 12.563 3.487 1.00 25.43 H new ATOM 0 HB2 GLU A 25 10.993 13.884 4.773 1.00 27.90 H new ATOM 0 HB3 GLU A 25 10.074 12.953 3.607 1.00 27.90 H new ATOM 0 HG2 GLU A 25 9.563 11.337 5.570 1.00 33.43 H new ATOM 0 HG3 GLU A 25 10.176 12.604 6.613 1.00 33.43 H new ATOM 390 N PHE A 26 14.177 12.357 5.214 1.00 22.66 N ATOM 391 CA PHE A 26 15.334 12.072 6.114 1.00 23.01 C ATOM 392 C PHE A 26 15.235 12.637 7.571 1.00 23.28 C ATOM 393 O PHE A 26 14.744 13.741 7.818 1.00 24.44 O ATOM 394 CB PHE A 26 16.634 12.572 5.416 1.00 22.05 C ATOM 395 CG PHE A 26 17.211 11.627 4.351 1.00 21.57 C ATOM 396 CD1 PHE A 26 17.985 10.529 4.741 1.00 21.95 C ATOM 397 CD2 PHE A 26 16.996 11.866 2.990 1.00 22.38 C ATOM 398 CE1 PHE A 26 18.539 9.685 3.783 1.00 22.73 C ATOM 399 CE2 PHE A 26 17.566 11.029 2.032 1.00 21.81 C ATOM 400 CZ PHE A 26 18.339 9.941 2.430 1.00 22.86 C ATOM 0 H PHE A 26 14.404 12.987 4.445 1.00 22.66 H new ATOM 0 HA PHE A 26 15.338 10.992 6.263 1.00 23.01 H new ATOM 0 HB2 PHE A 26 16.429 13.536 4.950 1.00 22.05 H new ATOM 0 HB3 PHE A 26 17.394 12.741 6.178 1.00 22.05 H new ATOM 0 HD1 PHE A 26 18.153 10.335 5.790 1.00 21.95 H new ATOM 0 HD2 PHE A 26 16.386 12.702 2.680 1.00 22.38 H new ATOM 0 HE1 PHE A 26 19.124 8.831 4.090 1.00 22.73 H new ATOM 0 HE2 PHE A 26 17.408 11.224 0.982 1.00 21.81 H new ATOM 0 HZ PHE A 26 18.784 9.295 1.687 1.00 22.86 H new ATOM 410 N VAL A 27 15.777 11.872 8.530 1.00 24.81 N ATOM 411 CA VAL A 27 15.890 12.305 9.960 1.00 26.86 C ATOM 412 C VAL A 27 17.091 13.288 10.241 1.00 28.94 C ATOM 413 O VAL A 27 16.936 14.166 11.096 1.00 30.50 O ATOM 414 CB VAL A 27 15.857 11.040 10.892 1.00 26.16 C ATOM 415 CG1 VAL A 27 15.948 11.359 12.405 1.00 26.66 C ATOM 416 CG2 VAL A 27 14.589 10.162 10.727 1.00 24.86 C ATOM 0 H VAL A 27 16.151 10.940 8.354 1.00 24.81 H new ATOM 0 HA VAL A 27 15.022 12.919 10.199 1.00 26.86 H new ATOM 0 HB VAL A 27 16.746 10.504 10.558 1.00 26.16 H new ATOM 0 HG11 VAL A 27 15.918 10.430 12.975 1.00 26.66 H new ATOM 0 HG12 VAL A 27 16.882 11.882 12.611 1.00 26.66 H new ATOM 0 HG13 VAL A 27 15.108 11.990 12.695 1.00 26.66 H new ATOM 0 HG21 VAL A 27 14.645 9.311 11.405 1.00 24.86 H new ATOM 0 HG22 VAL A 27 13.704 10.754 10.960 1.00 24.86 H new ATOM 0 HG23 VAL A 27 14.526 9.804 9.700 1.00 24.86 H new ATOM 426 N SER A 28 18.257 13.168 9.567 1.00 30.28 N ATOM 427 CA SER A 28 19.338 14.196 9.630 1.00 31.14 C ATOM 428 C SER A 28 19.075 15.418 8.671 1.00 31.22 C ATOM 429 O SER A 28 18.378 16.357 9.062 1.00 31.67 O ATOM 430 CB SER A 28 20.710 13.466 9.524 1.00 30.37 C ATOM 431 OG SER A 28 21.037 13.040 8.194 1.00 31.88 O ATOM 0 H SER A 28 18.480 12.371 8.971 1.00 30.28 H new ATOM 0 HA SER A 28 19.352 14.707 10.593 1.00 31.14 H new ATOM 0 HB2 SER A 28 21.494 14.131 9.886 1.00 30.37 H new ATOM 0 HB3 SER A 28 20.701 12.597 10.182 1.00 30.37 H new ATOM 0 HG SER A 28 20.635 12.163 8.023 1.00 31.88 H new ATOM 437 N GLU A 29 19.602 15.397 7.436 1.00 31.14 N ATOM 438 CA GLU A 29 19.336 16.428 6.388 1.00 31.14 C ATOM 439 C GLU A 29 19.096 15.714 5.010 1.00 32.07 C ATOM 440 O GLU A 29 17.958 15.623 4.539 1.00 32.55 O ATOM 441 CB GLU A 29 20.471 17.499 6.350 1.00 30.55 C ATOM 442 CG GLU A 29 20.529 18.493 7.539 1.00 31.13 C ATOM 443 CD GLU A 29 21.650 19.511 7.441 1.00 32.60 C ATOM 444 OE1 GLU A 29 22.776 19.202 7.881 1.00 32.15 O ATOM 445 OE2 GLU A 29 21.404 20.625 6.935 1.00 35.99 O ATOM 0 H GLU A 29 20.234 14.660 7.122 1.00 31.14 H new ATOM 0 HA GLU A 29 18.428 16.981 6.630 1.00 31.14 H new ATOM 0 HB2 GLU A 29 21.428 16.980 6.293 1.00 30.55 H new ATOM 0 HB3 GLU A 29 20.366 18.074 5.430 1.00 30.55 H new ATOM 0 HG2 GLU A 29 19.578 19.021 7.604 1.00 31.13 H new ATOM 0 HG3 GLU A 29 20.644 17.929 8.465 1.00 31.13 H new ATOM 452 N SER A 30 20.155 15.181 4.370 1.00 32.03 N ATOM 453 CA SER A 30 20.038 14.254 3.210 1.00 33.36 C ATOM 454 C SER A 30 21.196 13.200 3.221 1.00 32.70 C ATOM 455 O SER A 30 22.135 13.285 2.420 1.00 34.12 O ATOM 456 CB SER A 30 19.959 15.085 1.903 1.00 33.66 C ATOM 457 OG SER A 30 19.957 14.232 0.756 1.00 38.63 O ATOM 0 H SER A 30 21.120 15.377 4.637 1.00 32.03 H new ATOM 0 HA SER A 30 19.119 13.673 3.278 1.00 33.36 H new ATOM 0 HB2 SER A 30 19.056 15.695 1.909 1.00 33.66 H new ATOM 0 HB3 SER A 30 20.806 15.770 1.851 1.00 33.66 H new ATOM 0 HG SER A 30 19.905 14.777 -0.057 1.00 38.63 H new ATOM 463 N ASP A 31 21.119 12.196 4.112 1.00 31.88 N ATOM 464 CA ASP A 31 22.169 11.147 4.253 1.00 31.88 C ATOM 465 C ASP A 31 22.023 9.951 3.229 1.00 31.05 C ATOM 466 O ASP A 31 21.703 10.145 2.052 1.00 28.92 O ATOM 467 CB ASP A 31 22.307 10.846 5.783 1.00 32.86 C ATOM 468 CG ASP A 31 21.167 10.112 6.493 1.00 33.27 C ATOM 469 OD1 ASP A 31 20.969 8.910 6.223 1.00 34.84 O ATOM 470 OD2 ASP A 31 20.492 10.714 7.353 1.00 35.01 O ATOM 0 H ASP A 31 20.336 12.080 4.755 1.00 31.88 H new ATOM 0 HA ASP A 31 23.152 11.487 3.927 1.00 31.88 H new ATOM 0 HB2 ASP A 31 23.216 10.261 5.924 1.00 32.86 H new ATOM 0 HB3 ASP A 31 22.458 11.797 6.295 1.00 32.86 H new ATOM 475 N ILE A 32 22.311 8.715 3.661 1.00 31.36 N ATOM 476 CA ILE A 32 22.101 7.472 2.837 1.00 32.80 C ATOM 477 C ILE A 32 21.420 6.277 3.613 1.00 32.85 C ATOM 478 O ILE A 32 21.583 5.112 3.231 1.00 33.38 O ATOM 479 CB ILE A 32 23.421 7.049 2.075 1.00 33.48 C ATOM 480 CG1 ILE A 32 24.719 6.864 2.924 1.00 34.26 C ATOM 481 CG2 ILE A 32 23.740 8.002 0.896 1.00 32.54 C ATOM 482 CD1 ILE A 32 24.755 5.618 3.824 1.00 34.75 C ATOM 0 H ILE A 32 22.696 8.528 4.587 1.00 31.36 H new ATOM 0 HA ILE A 32 21.364 7.742 2.081 1.00 32.80 H new ATOM 0 HB ILE A 32 23.156 6.050 1.729 1.00 33.48 H new ATOM 0 HG12 ILE A 32 25.572 6.825 2.246 1.00 34.26 H new ATOM 0 HG13 ILE A 32 24.850 7.746 3.551 1.00 34.26 H new ATOM 0 HG21 ILE A 32 24.654 7.675 0.401 1.00 32.54 H new ATOM 0 HG22 ILE A 32 22.916 7.987 0.183 1.00 32.54 H new ATOM 0 HG23 ILE A 32 23.875 9.016 1.274 1.00 32.54 H new ATOM 0 HD11 ILE A 32 25.699 5.589 4.367 1.00 34.75 H new ATOM 0 HD12 ILE A 32 23.929 5.658 4.534 1.00 34.75 H new ATOM 0 HD13 ILE A 32 24.662 4.723 3.210 1.00 34.75 H new ATOM 494 N HIS A 33 20.652 6.522 4.694 1.00 31.03 N ATOM 495 CA HIS A 33 20.160 5.456 5.611 1.00 30.95 C ATOM 496 C HIS A 33 18.914 5.836 6.474 1.00 29.99 C ATOM 497 O HIS A 33 17.929 5.090 6.434 1.00 29.97 O ATOM 498 CB HIS A 33 21.319 4.827 6.447 1.00 33.16 C ATOM 499 CG HIS A 33 22.073 5.697 7.462 1.00 35.97 C ATOM 500 ND1 HIS A 33 21.948 5.532 8.829 1.00 37.11 N ATOM 501 CD2 HIS A 33 22.912 6.788 7.179 1.00 35.69 C ATOM 502 CE1 HIS A 33 22.668 6.614 9.255 1.00 37.12 C ATOM 503 NE2 HIS A 33 23.328 7.399 8.349 1.00 37.79 N ATOM 0 H HIS A 33 20.352 7.460 4.961 1.00 31.03 H new ATOM 0 HA HIS A 33 19.775 4.679 4.951 1.00 30.95 H new ATOM 0 HB2 HIS A 33 20.907 3.975 6.988 1.00 33.16 H new ATOM 0 HB3 HIS A 33 22.053 4.433 5.744 1.00 33.16 H new ATOM 0 HD1 HIS A 33 21.461 4.813 9.364 1.00 37.11 H new ATOM 0 HD2 HIS A 33 23.193 7.106 6.186 1.00 35.69 H new ATOM 0 HE1 HIS A 33 22.716 6.849 10.308 1.00 37.12 H new ATOM 511 N HIS A 34 18.951 6.903 7.300 1.00 27.61 N ATOM 512 CA HIS A 34 17.984 7.065 8.425 1.00 25.65 C ATOM 513 C HIS A 34 16.727 7.905 8.020 1.00 22.68 C ATOM 514 O HIS A 34 16.772 9.128 7.832 1.00 22.64 O ATOM 515 CB HIS A 34 18.731 7.576 9.689 1.00 28.27 C ATOM 516 CG HIS A 34 18.053 7.139 10.990 1.00 30.43 C ATOM 517 ND1 HIS A 34 17.143 7.924 11.676 1.00 30.52 N ATOM 518 CD2 HIS A 34 18.038 5.820 11.484 1.00 32.07 C ATOM 519 CE1 HIS A 34 16.610 6.976 12.512 1.00 33.32 C ATOM 520 NE2 HIS A 34 17.104 5.700 12.501 1.00 34.55 N ATOM 0 H HIS A 34 19.629 7.661 7.217 1.00 27.61 H new ATOM 0 HA HIS A 34 17.566 6.092 8.682 1.00 25.65 H new ATOM 0 HB2 HIS A 34 19.756 7.205 9.675 1.00 28.27 H new ATOM 0 HB3 HIS A 34 18.785 8.664 9.659 1.00 28.27 H new ATOM 0 HD2 HIS A 34 18.664 5.018 11.122 1.00 32.07 H new ATOM 0 HE1 HIS A 34 15.801 7.237 13.178 1.00 33.32 H new ATOM 0 HE2 HIS A 34 16.857 4.894 13.075 1.00 34.55 H new ATOM 528 N LEU A 35 15.604 7.201 7.834 1.00 20.84 N ATOM 529 CA LEU A 35 14.444 7.716 7.063 1.00 19.12 C ATOM 530 C LEU A 35 13.118 7.641 7.871 1.00 17.30 C ATOM 531 O LEU A 35 12.776 6.606 8.448 1.00 17.85 O ATOM 532 CB LEU A 35 14.325 6.870 5.756 1.00 18.47 C ATOM 533 CG LEU A 35 15.364 7.174 4.648 1.00 19.65 C ATOM 534 CD1 LEU A 35 15.364 6.070 3.583 1.00 19.07 C ATOM 535 CD2 LEU A 35 15.070 8.522 3.974 1.00 19.14 C ATOM 0 H LEU A 35 15.465 6.262 8.208 1.00 20.84 H new ATOM 0 HA LEU A 35 14.610 8.769 6.836 1.00 19.12 H new ATOM 0 HB2 LEU A 35 14.406 5.816 6.022 1.00 18.47 H new ATOM 0 HB3 LEU A 35 13.328 7.019 5.341 1.00 18.47 H new ATOM 0 HG LEU A 35 16.344 7.217 5.123 1.00 19.65 H new ATOM 0 HD11 LEU A 35 16.101 6.305 2.815 1.00 19.07 H new ATOM 0 HD12 LEU A 35 15.615 5.116 4.047 1.00 19.07 H new ATOM 0 HD13 LEU A 35 14.376 6.003 3.128 1.00 19.07 H new ATOM 0 HD21 LEU A 35 15.814 8.712 3.200 1.00 19.14 H new ATOM 0 HD22 LEU A 35 14.077 8.495 3.525 1.00 19.14 H new ATOM 0 HD23 LEU A 35 15.110 9.317 4.718 1.00 19.14 H new ATOM 547 N LYS A 36 12.292 8.692 7.781 1.00 18.00 N ATOM 548 CA LYS A 36 10.825 8.554 7.970 1.00 18.95 C ATOM 549 C LYS A 36 10.176 8.032 6.641 1.00 19.52 C ATOM 550 O LYS A 36 9.923 8.797 5.703 1.00 20.58 O ATOM 551 CB LYS A 36 10.205 9.904 8.424 1.00 18.98 C ATOM 552 CG LYS A 36 10.683 10.558 9.741 1.00 18.43 C ATOM 553 CD LYS A 36 10.625 9.630 10.972 1.00 17.29 C ATOM 554 CE LYS A 36 10.821 10.401 12.285 1.00 18.60 C ATOM 555 NZ LYS A 36 10.928 9.402 13.378 1.00 16.84 N ATOM 0 H LYS A 36 12.602 9.643 7.581 1.00 18.00 H new ATOM 0 HA LYS A 36 10.623 7.828 8.758 1.00 18.95 H new ATOM 0 HB2 LYS A 36 10.370 10.625 7.623 1.00 18.98 H new ATOM 0 HB3 LYS A 36 9.128 9.758 8.504 1.00 18.98 H new ATOM 0 HG2 LYS A 36 11.709 10.903 9.610 1.00 18.43 H new ATOM 0 HG3 LYS A 36 10.073 11.440 9.937 1.00 18.43 H new ATOM 0 HD2 LYS A 36 9.664 9.116 10.994 1.00 17.29 H new ATOM 0 HD3 LYS A 36 11.394 8.863 10.884 1.00 17.29 H new ATOM 0 HE2 LYS A 36 11.720 11.016 12.238 1.00 18.60 H new ATOM 0 HE3 LYS A 36 9.983 11.075 12.462 1.00 18.60 H new ATOM 0 HZ1 LYS A 36 10.756 9.868 14.292 1.00 16.84 H new ATOM 0 HZ2 LYS A 36 10.222 8.652 13.233 1.00 16.84 H new ATOM 0 HZ3 LYS A 36 11.881 8.985 13.375 1.00 16.84 H new ATOM 569 N GLY A 37 9.924 6.718 6.553 1.00 18.99 N ATOM 570 CA GLY A 37 9.172 6.121 5.417 1.00 18.30 C ATOM 571 C GLY A 37 7.653 6.169 5.633 1.00 18.24 C ATOM 572 O GLY A 37 7.131 5.445 6.482 1.00 19.79 O ATOM 0 H GLY A 37 10.227 6.039 7.252 1.00 18.99 H new ATOM 0 HA2 GLY A 37 9.423 6.652 4.499 1.00 18.30 H new ATOM 0 HA3 GLY A 37 9.485 5.086 5.282 1.00 18.30 H new ATOM 576 N THR A 38 6.956 7.062 4.924 1.00 18.35 N ATOM 577 CA THR A 38 5.555 7.438 5.286 1.00 19.74 C ATOM 578 C THR A 38 4.567 7.099 4.126 1.00 19.62 C ATOM 579 O THR A 38 4.696 7.635 3.023 1.00 17.55 O ATOM 580 CB THR A 38 5.417 8.908 5.817 1.00 20.66 C ATOM 581 OG1 THR A 38 5.159 9.833 4.771 1.00 21.16 O ATOM 582 CG2 THR A 38 6.598 9.486 6.624 1.00 20.41 C ATOM 0 H THR A 38 7.320 7.543 4.101 1.00 18.35 H new ATOM 0 HA THR A 38 5.270 6.821 6.138 1.00 19.74 H new ATOM 0 HB THR A 38 4.579 8.797 6.505 1.00 20.66 H new ATOM 0 HG1 THR A 38 6.002 10.080 4.337 1.00 21.16 H new ATOM 0 HG21 THR A 38 6.366 10.507 6.927 1.00 20.41 H new ATOM 0 HG22 THR A 38 6.767 8.874 7.510 1.00 20.41 H new ATOM 0 HG23 THR A 38 7.496 9.486 6.006 1.00 20.41 H new ATOM 590 N PHE A 39 3.581 6.222 4.369 1.00 18.53 N ATOM 591 CA PHE A 39 2.528 5.874 3.366 1.00 18.69 C ATOM 592 C PHE A 39 1.153 6.589 3.615 1.00 18.98 C ATOM 593 O PHE A 39 0.851 7.052 4.721 1.00 17.37 O ATOM 594 CB PHE A 39 2.424 4.322 3.263 1.00 17.59 C ATOM 595 CG PHE A 39 1.935 3.536 4.492 1.00 18.10 C ATOM 596 CD1 PHE A 39 0.570 3.314 4.692 1.00 17.17 C ATOM 597 CD2 PHE A 39 2.858 3.020 5.407 1.00 17.03 C ATOM 598 CE1 PHE A 39 0.134 2.577 5.790 1.00 17.77 C ATOM 599 CE2 PHE A 39 2.421 2.288 6.506 1.00 16.59 C ATOM 600 CZ PHE A 39 1.060 2.056 6.691 1.00 16.03 C ATOM 0 H PHE A 39 3.479 5.730 5.256 1.00 18.53 H new ATOM 0 HA PHE A 39 2.831 6.265 2.395 1.00 18.69 H new ATOM 0 HB2 PHE A 39 1.757 4.089 2.433 1.00 17.59 H new ATOM 0 HB3 PHE A 39 3.410 3.941 2.996 1.00 17.59 H new ATOM 0 HD1 PHE A 39 -0.149 3.715 3.993 1.00 17.17 H new ATOM 0 HD2 PHE A 39 3.914 3.191 5.260 1.00 17.03 H new ATOM 0 HE1 PHE A 39 -0.922 2.409 5.943 1.00 17.77 H new ATOM 0 HE2 PHE A 39 3.137 1.900 7.216 1.00 16.59 H new ATOM 0 HZ PHE A 39 0.722 1.471 7.534 1.00 16.03 H new ATOM 610 N LEU A 40 0.300 6.650 2.579 1.00 19.34 N ATOM 611 CA LEU A 40 -1.095 7.163 2.713 1.00 20.73 C ATOM 612 C LEU A 40 -2.117 6.041 3.118 1.00 20.53 C ATOM 613 O LEU A 40 -2.058 4.904 2.639 1.00 19.92 O ATOM 614 CB LEU A 40 -1.522 7.909 1.417 1.00 21.05 C ATOM 615 CG LEU A 40 -0.734 9.194 1.035 1.00 21.26 C ATOM 616 CD1 LEU A 40 -1.238 9.739 -0.310 1.00 20.29 C ATOM 617 CD2 LEU A 40 -0.849 10.309 2.091 1.00 21.27 C ATOM 0 H LEU A 40 0.542 6.353 1.634 1.00 19.34 H new ATOM 0 HA LEU A 40 -1.107 7.878 3.536 1.00 20.73 H new ATOM 0 HB2 LEU A 40 -1.446 7.208 0.585 1.00 21.05 H new ATOM 0 HB3 LEU A 40 -2.574 8.176 1.514 1.00 21.05 H new ATOM 0 HG LEU A 40 0.314 8.903 0.971 1.00 21.26 H new ATOM 0 HD11 LEU A 40 -0.681 10.639 -0.570 1.00 20.29 H new ATOM 0 HD12 LEU A 40 -1.093 8.986 -1.085 1.00 20.29 H new ATOM 0 HD13 LEU A 40 -2.298 9.979 -0.231 1.00 20.29 H new ATOM 0 HD21 LEU A 40 -0.277 11.178 1.766 1.00 21.27 H new ATOM 0 HD22 LEU A 40 -1.896 10.588 2.213 1.00 21.27 H new ATOM 0 HD23 LEU A 40 -0.455 9.951 3.042 1.00 21.27 H new ATOM 629 N GLY A 41 -3.066 6.389 4.003 1.00 19.63 N ATOM 630 CA GLY A 41 -4.025 5.420 4.603 1.00 21.34 C ATOM 631 C GLY A 41 -4.923 4.527 3.683 1.00 21.74 C ATOM 632 O GLY A 41 -5.626 5.106 2.850 1.00 23.78 O ATOM 0 H GLY A 41 -3.198 7.347 4.328 1.00 19.63 H new ATOM 0 HA2 GLY A 41 -3.450 4.750 5.242 1.00 21.34 H new ATOM 0 HA3 GLY A 41 -4.692 5.986 5.254 1.00 21.34 H new ATOM 636 N PRO A 42 -4.966 3.164 3.809 1.00 22.37 N ATOM 637 CA PRO A 42 -5.844 2.290 2.972 1.00 22.23 C ATOM 638 C PRO A 42 -7.402 2.560 2.990 1.00 23.08 C ATOM 639 O PRO A 42 -8.007 2.382 4.053 1.00 22.03 O ATOM 640 CB PRO A 42 -5.507 0.886 3.512 1.00 23.48 C ATOM 641 CG PRO A 42 -4.141 0.990 4.168 1.00 23.27 C ATOM 642 CD PRO A 42 -4.087 2.405 4.721 1.00 22.48 C ATOM 0 HA PRO A 42 -5.639 2.468 1.916 1.00 22.23 H new ATOM 0 HB2 PRO A 42 -6.258 0.557 4.230 1.00 23.48 H new ATOM 0 HB3 PRO A 42 -5.495 0.153 2.705 1.00 23.48 H new ATOM 0 HG2 PRO A 42 -4.024 0.250 4.960 1.00 23.27 H new ATOM 0 HG3 PRO A 42 -3.341 0.815 3.448 1.00 23.27 H new ATOM 0 HD2 PRO A 42 -4.443 2.448 5.750 1.00 22.48 H new ATOM 0 HD3 PRO A 42 -3.070 2.798 4.719 1.00 22.48 H new ATOM 650 N PRO A 43 -8.097 2.971 1.886 1.00 24.00 N ATOM 651 CA PRO A 43 -9.503 3.467 1.971 1.00 23.59 C ATOM 652 C PRO A 43 -10.638 2.397 2.110 1.00 23.23 C ATOM 653 O PRO A 43 -10.484 1.226 1.739 1.00 24.50 O ATOM 654 CB PRO A 43 -9.600 4.321 0.690 1.00 24.06 C ATOM 655 CG PRO A 43 -8.645 3.655 -0.303 1.00 25.59 C ATOM 656 CD PRO A 43 -7.475 3.199 0.568 1.00 24.78 C ATOM 0 HA PRO A 43 -9.682 4.005 2.902 1.00 23.59 H new ATOM 0 HB2 PRO A 43 -10.619 4.340 0.305 1.00 24.06 H new ATOM 0 HB3 PRO A 43 -9.312 5.355 0.882 1.00 24.06 H new ATOM 0 HG2 PRO A 43 -9.118 2.814 -0.810 1.00 25.59 H new ATOM 0 HG3 PRO A 43 -8.321 4.352 -1.076 1.00 25.59 H new ATOM 0 HD2 PRO A 43 -7.015 2.291 0.179 1.00 24.78 H new ATOM 0 HD3 PRO A 43 -6.693 3.957 0.619 1.00 24.78 H new ATOM 664 N GLY A 44 -11.789 2.823 2.666 1.00 23.28 N ATOM 665 CA GLY A 44 -12.907 1.896 3.026 1.00 22.71 C ATOM 666 C GLY A 44 -12.637 0.873 4.159 1.00 22.76 C ATOM 667 O GLY A 44 -12.853 -0.328 3.994 1.00 24.94 O ATOM 0 H GLY A 44 -11.980 3.802 2.880 1.00 23.28 H new ATOM 0 HA2 GLY A 44 -13.768 2.500 3.313 1.00 22.71 H new ATOM 0 HA3 GLY A 44 -13.190 1.343 2.130 1.00 22.71 H new ATOM 671 N THR A 45 -12.104 1.348 5.287 1.00 22.50 N ATOM 672 CA THR A 45 -11.429 0.520 6.338 1.00 21.28 C ATOM 673 C THR A 45 -11.098 1.474 7.555 1.00 20.76 C ATOM 674 O THR A 45 -10.765 2.644 7.319 1.00 21.05 O ATOM 675 CB THR A 45 -10.134 -0.176 5.769 1.00 20.89 C ATOM 676 OG1 THR A 45 -10.487 -1.158 4.799 1.00 21.40 O ATOM 677 CG2 THR A 45 -9.241 -0.952 6.750 1.00 23.76 C ATOM 0 H THR A 45 -12.120 2.341 5.518 1.00 22.50 H new ATOM 0 HA THR A 45 -12.084 -0.286 6.668 1.00 21.28 H new ATOM 0 HB THR A 45 -9.575 0.686 5.404 1.00 20.89 H new ATOM 0 HG1 THR A 45 -11.462 -1.191 4.707 1.00 21.40 H new ATOM 0 HG21 THR A 45 -8.391 -1.373 6.213 1.00 23.76 H new ATOM 0 HG22 THR A 45 -8.881 -0.277 7.526 1.00 23.76 H new ATOM 0 HG23 THR A 45 -9.817 -1.757 7.207 1.00 23.76 H new ATOM 685 N PRO A 46 -11.061 1.050 8.858 1.00 19.54 N ATOM 686 CA PRO A 46 -10.459 1.866 9.966 1.00 19.24 C ATOM 687 C PRO A 46 -9.050 2.557 9.832 1.00 19.64 C ATOM 688 O PRO A 46 -8.700 3.377 10.682 1.00 20.59 O ATOM 689 CB PRO A 46 -10.481 0.853 11.128 1.00 16.78 C ATOM 690 CG PRO A 46 -11.670 -0.063 10.838 1.00 18.31 C ATOM 691 CD PRO A 46 -11.644 -0.227 9.319 1.00 19.05 C ATOM 0 HA PRO A 46 -11.038 2.786 10.049 1.00 19.24 H new ATOM 0 HB2 PRO A 46 -9.550 0.287 11.175 1.00 16.78 H new ATOM 0 HB3 PRO A 46 -10.597 1.357 12.088 1.00 16.78 H new ATOM 0 HG2 PRO A 46 -11.569 -1.022 11.345 1.00 18.31 H new ATOM 0 HG3 PRO A 46 -12.607 0.379 11.176 1.00 18.31 H new ATOM 0 HD2 PRO A 46 -11.038 -1.081 9.015 1.00 19.05 H new ATOM 0 HD3 PRO A 46 -12.643 -0.385 8.913 1.00 19.05 H new ATOM 699 N TYR A 47 -8.265 2.250 8.788 1.00 19.06 N ATOM 700 CA TYR A 47 -6.949 2.911 8.491 1.00 20.00 C ATOM 701 C TYR A 47 -6.932 3.896 7.257 1.00 21.12 C ATOM 702 O TYR A 47 -5.862 4.331 6.832 1.00 21.28 O ATOM 703 CB TYR A 47 -5.837 1.819 8.420 1.00 18.78 C ATOM 704 CG TYR A 47 -5.787 0.835 9.609 1.00 17.89 C ATOM 705 CD1 TYR A 47 -5.423 1.248 10.897 1.00 17.87 C ATOM 706 CD2 TYR A 47 -6.333 -0.438 9.426 1.00 15.51 C ATOM 707 CE1 TYR A 47 -5.621 0.396 11.987 1.00 17.13 C ATOM 708 CE2 TYR A 47 -6.536 -1.274 10.513 1.00 17.08 C ATOM 709 CZ TYR A 47 -6.184 -0.862 11.789 1.00 17.44 C ATOM 710 OH TYR A 47 -6.456 -1.704 12.827 1.00 17.11 O ATOM 0 H TYR A 47 -8.513 1.531 8.109 1.00 19.06 H new ATOM 0 HA TYR A 47 -6.748 3.590 9.319 1.00 20.00 H new ATOM 0 HB2 TYR A 47 -5.975 1.246 7.503 1.00 18.78 H new ATOM 0 HB3 TYR A 47 -4.870 2.316 8.343 1.00 18.78 H new ATOM 0 HD1 TYR A 47 -4.989 2.225 11.048 1.00 17.87 H new ATOM 0 HD2 TYR A 47 -6.598 -0.772 8.434 1.00 15.51 H new ATOM 0 HE1 TYR A 47 -5.338 0.712 12.980 1.00 17.13 H new ATOM 0 HE2 TYR A 47 -6.971 -2.252 10.365 1.00 17.08 H new ATOM 0 HH TYR A 47 -6.039 -1.360 13.645 1.00 17.11 H new ATOM 720 N GLU A 48 -8.103 4.323 6.757 1.00 23.33 N ATOM 721 CA GLU A 48 -8.277 5.283 5.632 1.00 23.38 C ATOM 722 C GLU A 48 -7.667 6.712 5.825 1.00 24.31 C ATOM 723 O GLU A 48 -7.826 7.330 6.881 1.00 26.00 O ATOM 724 CB GLU A 48 -9.829 5.347 5.499 1.00 25.86 C ATOM 725 CG GLU A 48 -10.446 6.371 4.504 1.00 29.23 C ATOM 726 CD GLU A 48 -11.936 6.503 4.693 1.00 31.98 C ATOM 727 OE1 GLU A 48 -12.354 7.337 5.529 1.00 33.27 O ATOM 728 OE2 GLU A 48 -12.683 5.763 4.024 1.00 32.02 O ATOM 0 H GLU A 48 -8.995 4.002 7.134 1.00 23.33 H new ATOM 0 HA GLU A 48 -7.734 4.940 4.751 1.00 23.38 H new ATOM 0 HB2 GLU A 48 -10.179 4.355 5.213 1.00 25.86 H new ATOM 0 HB3 GLU A 48 -10.238 5.557 6.487 1.00 25.86 H new ATOM 0 HG2 GLU A 48 -9.974 7.344 4.643 1.00 29.23 H new ATOM 0 HG3 GLU A 48 -10.235 6.058 3.482 1.00 29.23 H new ATOM 735 N GLY A 49 -7.084 7.289 4.760 1.00 24.03 N ATOM 736 CA GLY A 49 -6.843 8.762 4.663 1.00 23.88 C ATOM 737 C GLY A 49 -5.975 9.433 5.751 1.00 23.82 C ATOM 738 O GLY A 49 -6.507 10.062 6.668 1.00 24.75 O ATOM 0 H GLY A 49 -6.765 6.766 3.945 1.00 24.03 H new ATOM 0 HA2 GLY A 49 -6.378 8.960 3.697 1.00 23.88 H new ATOM 0 HA3 GLY A 49 -7.813 9.259 4.658 1.00 23.88 H new ATOM 742 N GLY A 50 -4.653 9.290 5.642 1.00 22.69 N ATOM 743 CA GLY A 50 -3.721 9.749 6.707 1.00 21.60 C ATOM 744 C GLY A 50 -2.231 9.465 6.429 1.00 21.55 C ATOM 745 O GLY A 50 -1.895 8.510 5.728 1.00 21.89 O ATOM 0 H GLY A 50 -4.193 8.864 4.837 1.00 22.69 H new ATOM 0 HA2 GLY A 50 -3.852 10.822 6.847 1.00 21.60 H new ATOM 0 HA3 GLY A 50 -3.999 9.269 7.645 1.00 21.60 H new ATOM 749 N LYS A 51 -1.323 10.272 6.998 1.00 22.61 N ATOM 750 CA LYS A 51 0.145 10.046 6.847 1.00 20.10 C ATOM 751 C LYS A 51 0.689 9.061 7.943 1.00 17.74 C ATOM 752 O LYS A 51 0.828 9.423 9.115 1.00 15.95 O ATOM 753 CB LYS A 51 0.847 11.436 6.829 1.00 23.10 C ATOM 754 CG LYS A 51 2.302 11.391 6.301 1.00 27.68 C ATOM 755 CD LYS A 51 3.006 12.768 6.291 1.00 33.11 C ATOM 756 CE LYS A 51 4.406 12.653 5.659 1.00 36.19 C ATOM 757 NZ LYS A 51 5.221 13.885 5.818 1.00 40.14 N ATOM 0 H LYS A 51 -1.565 11.085 7.565 1.00 22.61 H new ATOM 0 HA LYS A 51 0.368 9.547 5.904 1.00 20.10 H new ATOM 0 HB2 LYS A 51 0.266 12.119 6.209 1.00 23.10 H new ATOM 0 HB3 LYS A 51 0.849 11.846 7.839 1.00 23.10 H new ATOM 0 HG2 LYS A 51 2.881 10.702 6.916 1.00 27.68 H new ATOM 0 HG3 LYS A 51 2.299 10.988 5.288 1.00 27.68 H new ATOM 0 HD2 LYS A 51 2.406 13.486 5.732 1.00 33.11 H new ATOM 0 HD3 LYS A 51 3.090 13.148 7.309 1.00 33.11 H new ATOM 0 HE2 LYS A 51 4.935 11.814 6.112 1.00 36.19 H new ATOM 0 HE3 LYS A 51 4.301 12.428 4.598 1.00 36.19 H new ATOM 0 HZ1 LYS A 51 6.043 13.842 5.182 1.00 40.14 H new ATOM 0 HZ2 LYS A 51 4.643 14.717 5.581 1.00 40.14 H new ATOM 0 HZ3 LYS A 51 5.548 13.960 6.802 1.00 40.14 H new ATOM 771 N PHE A 52 0.992 7.815 7.551 1.00 16.24 N ATOM 772 CA PHE A 52 1.443 6.742 8.484 1.00 16.89 C ATOM 773 C PHE A 52 3.001 6.716 8.619 1.00 17.16 C ATOM 774 O PHE A 52 3.699 6.139 7.782 1.00 17.43 O ATOM 775 CB PHE A 52 0.842 5.400 7.972 1.00 17.68 C ATOM 776 CG PHE A 52 -0.605 5.121 8.415 1.00 17.41 C ATOM 777 CD1 PHE A 52 -1.683 5.603 7.667 1.00 18.23 C ATOM 778 CD2 PHE A 52 -0.853 4.396 9.585 1.00 17.37 C ATOM 779 CE1 PHE A 52 -2.990 5.376 8.095 1.00 20.54 C ATOM 780 CE2 PHE A 52 -2.160 4.158 10.001 1.00 18.54 C ATOM 781 CZ PHE A 52 -3.227 4.645 9.255 1.00 19.70 C ATOM 0 H PHE A 52 0.935 7.510 6.579 1.00 16.24 H new ATOM 0 HA PHE A 52 1.084 6.928 9.496 1.00 16.89 H new ATOM 0 HB2 PHE A 52 0.879 5.396 6.883 1.00 17.68 H new ATOM 0 HB3 PHE A 52 1.475 4.582 8.316 1.00 17.68 H new ATOM 0 HD1 PHE A 52 -1.503 6.153 6.755 1.00 18.23 H new ATOM 0 HD2 PHE A 52 -0.026 4.019 10.169 1.00 17.37 H new ATOM 0 HE1 PHE A 52 -3.820 5.768 7.526 1.00 20.54 H new ATOM 0 HE2 PHE A 52 -2.345 3.595 10.904 1.00 18.54 H new ATOM 0 HZ PHE A 52 -4.241 4.456 9.576 1.00 19.70 H new ATOM 791 N VAL A 53 3.535 7.371 9.662 1.00 16.93 N ATOM 792 CA VAL A 53 4.991 7.704 9.772 1.00 17.40 C ATOM 793 C VAL A 53 5.819 6.543 10.435 1.00 15.97 C ATOM 794 O VAL A 53 5.570 6.180 11.587 1.00 16.72 O ATOM 795 CB VAL A 53 5.146 9.075 10.533 1.00 16.59 C ATOM 796 CG1 VAL A 53 6.615 9.533 10.698 1.00 15.69 C ATOM 797 CG2 VAL A 53 4.397 10.272 9.891 1.00 17.18 C ATOM 0 H VAL A 53 2.983 7.690 10.458 1.00 16.93 H new ATOM 0 HA VAL A 53 5.409 7.813 8.771 1.00 17.40 H new ATOM 0 HB VAL A 53 4.697 8.834 11.497 1.00 16.59 H new ATOM 0 HG11 VAL A 53 6.642 10.484 11.231 1.00 15.69 H new ATOM 0 HG12 VAL A 53 7.168 8.784 11.264 1.00 15.69 H new ATOM 0 HG13 VAL A 53 7.071 9.655 9.715 1.00 15.69 H new ATOM 0 HG21 VAL A 53 4.565 11.169 10.487 1.00 17.18 H new ATOM 0 HG22 VAL A 53 4.769 10.434 8.879 1.00 17.18 H new ATOM 0 HG23 VAL A 53 3.329 10.056 9.854 1.00 17.18 H new ATOM 807 N VAL A 54 6.822 6.005 9.715 1.00 14.51 N ATOM 808 CA VAL A 54 7.676 4.873 10.205 1.00 12.96 C ATOM 809 C VAL A 54 9.176 5.325 10.262 1.00 13.99 C ATOM 810 O VAL A 54 9.775 5.593 9.217 1.00 15.45 O ATOM 811 CB VAL A 54 7.509 3.605 9.285 1.00 12.36 C ATOM 812 CG1 VAL A 54 8.247 2.361 9.834 1.00 10.73 C ATOM 813 CG2 VAL A 54 6.052 3.161 9.032 1.00 14.51 C ATOM 0 H VAL A 54 7.073 6.331 8.782 1.00 14.51 H new ATOM 0 HA VAL A 54 7.352 4.600 11.209 1.00 12.96 H new ATOM 0 HB VAL A 54 7.945 3.952 8.348 1.00 12.36 H new ATOM 0 HG11 VAL A 54 8.095 1.520 9.158 1.00 10.73 H new ATOM 0 HG12 VAL A 54 9.313 2.576 9.913 1.00 10.73 H new ATOM 0 HG13 VAL A 54 7.854 2.110 10.819 1.00 10.73 H new ATOM 0 HG21 VAL A 54 6.046 2.281 8.388 1.00 14.51 H new ATOM 0 HG22 VAL A 54 5.575 2.919 9.982 1.00 14.51 H new ATOM 0 HG23 VAL A 54 5.504 3.969 8.547 1.00 14.51 H new ATOM 823 N ASP A 55 9.808 5.343 11.446 1.00 14.85 N ATOM 824 CA ASP A 55 11.286 5.511 11.580 1.00 15.74 C ATOM 825 C ASP A 55 12.079 4.216 11.154 1.00 16.57 C ATOM 826 O ASP A 55 11.688 3.088 11.482 1.00 17.03 O ATOM 827 CB ASP A 55 11.526 5.937 13.049 1.00 15.97 C ATOM 828 CG ASP A 55 12.899 6.522 13.335 1.00 16.12 C ATOM 829 OD1 ASP A 55 13.081 7.739 13.116 1.00 17.68 O ATOM 830 OD2 ASP A 55 13.795 5.780 13.785 1.00 16.49 O ATOM 0 H ASP A 55 9.324 5.243 12.338 1.00 14.85 H new ATOM 0 HA ASP A 55 11.669 6.272 10.900 1.00 15.74 H new ATOM 0 HB2 ASP A 55 10.770 6.672 13.326 1.00 15.97 H new ATOM 0 HB3 ASP A 55 11.377 5.069 13.692 1.00 15.97 H new ATOM 835 N ILE A 56 13.142 4.379 10.347 1.00 17.77 N ATOM 836 CA ILE A 56 13.814 3.249 9.630 1.00 17.06 C ATOM 837 C ILE A 56 15.376 3.397 9.739 1.00 18.80 C ATOM 838 O ILE A 56 15.981 4.233 9.058 1.00 18.84 O ATOM 839 CB ILE A 56 13.310 3.142 8.133 1.00 16.85 C ATOM 840 CG1 ILE A 56 11.794 2.804 8.009 1.00 17.05 C ATOM 841 CG2 ILE A 56 14.112 2.105 7.298 1.00 14.20 C ATOM 842 CD1 ILE A 56 11.176 2.977 6.611 1.00 16.29 C ATOM 0 H ILE A 56 13.568 5.288 10.165 1.00 17.77 H new ATOM 0 HA ILE A 56 13.542 2.308 10.109 1.00 17.06 H new ATOM 0 HB ILE A 56 13.480 4.141 7.731 1.00 16.85 H new ATOM 0 HG12 ILE A 56 11.645 1.771 8.325 1.00 17.05 H new ATOM 0 HG13 ILE A 56 11.243 3.433 8.708 1.00 17.05 H new ATOM 0 HG21 ILE A 56 13.721 2.076 6.281 1.00 14.20 H new ATOM 0 HG22 ILE A 56 15.163 2.392 7.275 1.00 14.20 H new ATOM 0 HG23 ILE A 56 14.015 1.119 7.752 1.00 14.20 H new ATOM 0 HD11 ILE A 56 10.119 2.713 6.645 1.00 16.29 H new ATOM 0 HD12 ILE A 56 11.281 4.014 6.292 1.00 16.29 H new ATOM 0 HD13 ILE A 56 11.689 2.326 5.903 1.00 16.29 H new ATOM 854 N GLU A 57 16.021 2.483 10.483 1.00 21.23 N ATOM 855 CA GLU A 57 17.426 2.062 10.213 1.00 22.90 C ATOM 856 C GLU A 57 17.414 0.823 9.247 1.00 23.23 C ATOM 857 O GLU A 57 17.079 -0.296 9.644 1.00 22.72 O ATOM 858 CB GLU A 57 18.132 1.825 11.585 1.00 26.29 C ATOM 859 CG GLU A 57 19.529 1.128 11.597 1.00 31.56 C ATOM 860 CD GLU A 57 20.714 1.738 10.864 1.00 33.86 C ATOM 861 OE1 GLU A 57 20.595 2.780 10.196 1.00 36.21 O ATOM 862 OE2 GLU A 57 21.796 1.114 10.885 1.00 35.49 O ATOM 0 H GLU A 57 15.597 2.013 11.283 1.00 21.23 H new ATOM 0 HA GLU A 57 18.004 2.827 9.695 1.00 22.90 H new ATOM 0 HB2 GLU A 57 18.241 2.794 12.072 1.00 26.29 H new ATOM 0 HB3 GLU A 57 17.460 1.231 12.204 1.00 26.29 H new ATOM 0 HG2 GLU A 57 19.822 1.017 12.641 1.00 31.56 H new ATOM 0 HG3 GLU A 57 19.388 0.124 11.197 1.00 31.56 H new ATOM 869 N VAL A 58 17.773 1.029 7.968 1.00 24.21 N ATOM 870 CA VAL A 58 18.121 -0.071 7.007 1.00 25.21 C ATOM 871 C VAL A 58 19.594 -0.550 7.282 1.00 25.13 C ATOM 872 O VAL A 58 20.495 0.118 6.770 1.00 24.63 O ATOM 873 CB VAL A 58 17.924 0.359 5.504 1.00 25.86 C ATOM 874 CG1 VAL A 58 16.484 0.173 4.997 1.00 24.35 C ATOM 875 CG2 VAL A 58 18.405 1.779 5.114 1.00 27.97 C ATOM 0 H VAL A 58 17.835 1.960 7.555 1.00 24.21 H new ATOM 0 HA VAL A 58 17.434 -0.901 7.172 1.00 25.21 H new ATOM 0 HB VAL A 58 18.594 -0.341 5.005 1.00 25.86 H new ATOM 0 HG11 VAL A 58 16.421 0.489 3.956 1.00 24.35 H new ATOM 0 HG12 VAL A 58 16.204 -0.877 5.075 1.00 24.35 H new ATOM 0 HG13 VAL A 58 15.805 0.776 5.600 1.00 24.35 H new ATOM 0 HG21 VAL A 58 18.213 1.950 4.055 1.00 27.97 H new ATOM 0 HG22 VAL A 58 17.867 2.520 5.705 1.00 27.97 H new ATOM 0 HG23 VAL A 58 19.474 1.867 5.307 1.00 27.97 H new ATOM 885 N PRO A 59 19.940 -1.607 8.080 1.00 26.70 N ATOM 886 CA PRO A 59 21.274 -1.695 8.749 1.00 28.09 C ATOM 887 C PRO A 59 22.552 -1.727 7.851 1.00 29.46 C ATOM 888 O PRO A 59 22.465 -1.947 6.643 1.00 29.17 O ATOM 889 CB PRO A 59 21.116 -2.938 9.644 1.00 28.19 C ATOM 890 CG PRO A 59 19.613 -3.072 9.887 1.00 28.95 C ATOM 891 CD PRO A 59 18.986 -2.615 8.574 1.00 27.64 C ATOM 0 HA PRO A 59 21.487 -0.768 9.281 1.00 28.09 H new ATOM 0 HB2 PRO A 59 21.516 -3.827 9.157 1.00 28.19 H new ATOM 0 HB3 PRO A 59 21.657 -2.818 10.583 1.00 28.19 H new ATOM 0 HG2 PRO A 59 19.337 -4.099 10.125 1.00 28.95 H new ATOM 0 HG3 PRO A 59 19.287 -2.452 10.722 1.00 28.95 H new ATOM 0 HD2 PRO A 59 18.873 -3.441 7.872 1.00 27.64 H new ATOM 0 HD3 PRO A 59 17.994 -2.190 8.728 1.00 27.64 H new ATOM 899 N MET A 60 23.728 -1.471 8.447 1.00 30.41 N ATOM 900 CA MET A 60 25.027 -1.265 7.717 1.00 30.86 C ATOM 901 C MET A 60 25.341 -2.092 6.416 1.00 30.37 C ATOM 902 O MET A 60 25.735 -1.508 5.402 1.00 30.00 O ATOM 903 CB MET A 60 26.182 -1.361 8.754 1.00 32.14 C ATOM 904 CG MET A 60 26.255 -0.223 9.800 1.00 35.22 C ATOM 905 SD MET A 60 27.635 -0.497 10.931 1.00 40.94 S ATOM 906 CE MET A 60 28.981 0.270 10.010 1.00 38.56 C ATOM 0 H MET A 60 23.823 -1.397 9.460 1.00 30.41 H new ATOM 0 HA MET A 60 24.919 -0.275 7.273 1.00 30.86 H new ATOM 0 HB2 MET A 60 26.089 -2.309 9.284 1.00 32.14 H new ATOM 0 HB3 MET A 60 27.128 -1.390 8.213 1.00 32.14 H new ATOM 0 HG2 MET A 60 26.374 0.736 9.296 1.00 35.22 H new ATOM 0 HG3 MET A 60 25.321 -0.175 10.360 1.00 35.22 H new ATOM 0 HE1 MET A 60 29.907 0.183 10.579 1.00 38.56 H new ATOM 0 HE2 MET A 60 29.097 -0.232 9.049 1.00 38.56 H new ATOM 0 HE3 MET A 60 28.754 1.323 9.844 1.00 38.56 H new ATOM 916 N GLU A 61 25.106 -3.410 6.431 1.00 29.92 N ATOM 917 CA GLU A 61 25.294 -4.313 5.260 1.00 29.46 C ATOM 918 C GLU A 61 24.140 -4.314 4.164 1.00 27.20 C ATOM 919 O GLU A 61 24.060 -5.238 3.351 1.00 26.79 O ATOM 920 CB GLU A 61 25.597 -5.756 5.803 1.00 32.53 C ATOM 921 CG GLU A 61 26.420 -5.988 7.118 1.00 36.50 C ATOM 922 CD GLU A 61 25.638 -5.932 8.425 1.00 39.92 C ATOM 923 OE1 GLU A 61 25.220 -4.834 8.858 1.00 42.19 O ATOM 924 OE2 GLU A 61 25.368 -6.989 9.028 1.00 41.18 O ATOM 0 H GLU A 61 24.775 -3.898 7.263 1.00 29.92 H new ATOM 0 HA GLU A 61 26.135 -3.913 4.694 1.00 29.46 H new ATOM 0 HB2 GLU A 61 24.635 -6.249 5.942 1.00 32.53 H new ATOM 0 HB3 GLU A 61 26.117 -6.290 5.007 1.00 32.53 H new ATOM 0 HG2 GLU A 61 26.904 -6.962 7.051 1.00 36.50 H new ATOM 0 HG3 GLU A 61 27.212 -5.241 7.162 1.00 36.50 H new ATOM 931 N TYR A 62 23.265 -3.286 4.090 1.00 25.82 N ATOM 932 CA TYR A 62 22.240 -3.109 3.013 1.00 24.19 C ATOM 933 C TYR A 62 22.891 -2.930 1.587 1.00 23.42 C ATOM 934 O TYR A 62 23.709 -2.015 1.448 1.00 24.75 O ATOM 935 CB TYR A 62 21.359 -1.901 3.446 1.00 22.76 C ATOM 936 CG TYR A 62 19.999 -1.724 2.750 1.00 23.19 C ATOM 937 CD1 TYR A 62 18.989 -2.667 2.967 1.00 21.96 C ATOM 938 CD2 TYR A 62 19.699 -0.557 2.040 1.00 23.02 C ATOM 939 CE1 TYR A 62 17.695 -2.432 2.509 1.00 21.96 C ATOM 940 CE2 TYR A 62 18.403 -0.330 1.573 1.00 22.54 C ATOM 941 CZ TYR A 62 17.400 -1.263 1.816 1.00 21.29 C ATOM 942 OH TYR A 62 16.120 -1.045 1.369 1.00 20.39 O ATOM 0 H TYR A 62 23.243 -2.539 4.784 1.00 25.82 H new ATOM 0 HA TYR A 62 21.625 -4.002 2.905 1.00 24.19 H new ATOM 0 HB2 TYR A 62 21.179 -1.984 4.518 1.00 22.76 H new ATOM 0 HB3 TYR A 62 21.937 -0.990 3.289 1.00 22.76 H new ATOM 0 HD1 TYR A 62 19.214 -3.583 3.493 1.00 21.96 H new ATOM 0 HD2 TYR A 62 20.473 0.172 1.852 1.00 23.02 H new ATOM 0 HE1 TYR A 62 16.918 -3.160 2.693 1.00 21.96 H new ATOM 0 HE2 TYR A 62 18.179 0.571 1.022 1.00 22.54 H new ATOM 0 HH TYR A 62 16.122 -0.316 0.715 1.00 20.39 H new ATOM 952 N PRO A 63 22.668 -3.781 0.540 1.00 22.39 N ATOM 953 CA PRO A 63 21.379 -4.503 0.297 1.00 21.14 C ATOM 954 C PRO A 63 20.922 -5.745 1.127 1.00 22.01 C ATOM 955 O PRO A 63 19.739 -6.079 1.058 1.00 21.01 O ATOM 956 CB PRO A 63 21.531 -4.873 -1.202 1.00 21.38 C ATOM 957 CG PRO A 63 23.034 -4.956 -1.459 1.00 19.15 C ATOM 958 CD PRO A 63 23.596 -3.823 -0.609 1.00 21.01 C ATOM 0 HA PRO A 63 20.578 -3.840 0.625 1.00 21.14 H new ATOM 0 HB2 PRO A 63 21.044 -5.823 -1.422 1.00 21.38 H new ATOM 0 HB3 PRO A 63 21.066 -4.121 -1.840 1.00 21.38 H new ATOM 0 HG2 PRO A 63 23.441 -5.923 -1.161 1.00 19.15 H new ATOM 0 HG3 PRO A 63 23.270 -4.822 -2.515 1.00 19.15 H new ATOM 0 HD2 PRO A 63 24.620 -4.024 -0.294 1.00 21.01 H new ATOM 0 HD3 PRO A 63 23.609 -2.878 -1.153 1.00 21.01 H new ATOM 966 N PHE A 64 21.799 -6.417 1.874 1.00 22.37 N ATOM 967 CA PHE A 64 21.488 -7.712 2.556 1.00 23.99 C ATOM 968 C PHE A 64 20.652 -7.656 3.885 1.00 25.43 C ATOM 969 O PHE A 64 19.998 -8.648 4.221 1.00 27.32 O ATOM 970 CB PHE A 64 22.833 -8.472 2.772 1.00 22.40 C ATOM 971 CG PHE A 64 23.603 -8.858 1.493 1.00 21.44 C ATOM 972 CD1 PHE A 64 23.244 -9.997 0.766 1.00 21.59 C ATOM 973 CD2 PHE A 64 24.632 -8.037 1.018 1.00 23.07 C ATOM 974 CE1 PHE A 64 23.892 -10.302 -0.429 1.00 23.36 C ATOM 975 CE2 PHE A 64 25.279 -8.342 -0.176 1.00 23.62 C ATOM 976 CZ PHE A 64 24.908 -9.473 -0.900 1.00 23.34 C ATOM 0 H PHE A 64 22.753 -6.093 2.035 1.00 22.37 H new ATOM 0 HA PHE A 64 20.806 -8.236 1.886 1.00 23.99 H new ATOM 0 HB2 PHE A 64 23.482 -7.852 3.390 1.00 22.40 H new ATOM 0 HB3 PHE A 64 22.627 -9.381 3.337 1.00 22.40 H new ATOM 0 HD1 PHE A 64 22.460 -10.644 1.133 1.00 21.59 H new ATOM 0 HD2 PHE A 64 24.925 -7.163 1.580 1.00 23.07 H new ATOM 0 HE1 PHE A 64 23.607 -11.180 -0.990 1.00 23.36 H new ATOM 0 HE2 PHE A 64 26.069 -7.702 -0.541 1.00 23.62 H new ATOM 0 HZ PHE A 64 25.409 -9.708 -1.828 1.00 23.34 H new ATOM 986 N LYS A 65 20.667 -6.551 4.652 1.00 25.38 N ATOM 987 CA LYS A 65 19.991 -6.473 5.980 1.00 24.47 C ATOM 988 C LYS A 65 18.509 -5.935 5.937 1.00 23.30 C ATOM 989 O LYS A 65 18.263 -4.928 5.265 1.00 20.92 O ATOM 990 CB LYS A 65 20.865 -5.597 6.919 1.00 27.55 C ATOM 991 CG LYS A 65 22.177 -6.252 7.409 1.00 30.95 C ATOM 992 CD LYS A 65 22.039 -7.245 8.593 1.00 34.63 C ATOM 993 CE LYS A 65 21.902 -6.626 10.003 1.00 36.69 C ATOM 994 NZ LYS A 65 23.195 -5.980 10.377 1.00 41.69 N ATOM 0 H LYS A 65 21.141 -5.689 4.381 1.00 25.38 H new ATOM 0 HA LYS A 65 19.900 -7.493 6.354 1.00 24.47 H new ATOM 0 HB2 LYS A 65 21.113 -4.672 6.398 1.00 27.55 H new ATOM 0 HB3 LYS A 65 20.269 -5.322 7.789 1.00 27.55 H new ATOM 0 HG2 LYS A 65 22.633 -6.778 6.570 1.00 30.95 H new ATOM 0 HG3 LYS A 65 22.867 -5.461 7.702 1.00 30.95 H new ATOM 0 HD2 LYS A 65 21.167 -7.874 8.411 1.00 34.63 H new ATOM 0 HD3 LYS A 65 22.910 -7.900 8.592 1.00 34.63 H new ATOM 0 HE2 LYS A 65 21.097 -5.892 10.015 1.00 36.69 H new ATOM 0 HE3 LYS A 65 21.642 -7.396 10.729 1.00 36.69 H new ATOM 0 HZ1 LYS A 65 23.158 -5.680 11.372 1.00 41.69 H new ATOM 0 HZ2 LYS A 65 23.972 -6.659 10.248 1.00 41.69 H new ATOM 0 HZ3 LYS A 65 23.356 -5.150 9.771 1.00 41.69 H new ATOM 1008 N PRO A 66 17.510 -6.501 6.679 1.00 22.75 N ATOM 1009 CA PRO A 66 16.125 -5.946 6.708 1.00 22.66 C ATOM 1010 C PRO A 66 15.915 -4.617 7.530 1.00 22.64 C ATOM 1011 O PRO A 66 16.601 -4.441 8.545 1.00 23.14 O ATOM 1012 CB PRO A 66 15.337 -7.110 7.332 1.00 21.91 C ATOM 1013 CG PRO A 66 16.345 -7.860 8.202 1.00 22.08 C ATOM 1014 CD PRO A 66 17.673 -7.735 7.471 1.00 22.32 C ATOM 0 HA PRO A 66 15.815 -5.632 5.711 1.00 22.66 H new ATOM 0 HB2 PRO A 66 14.500 -6.744 7.927 1.00 21.91 H new ATOM 0 HB3 PRO A 66 14.921 -7.760 6.563 1.00 21.91 H new ATOM 0 HG2 PRO A 66 16.403 -7.427 9.200 1.00 22.08 H new ATOM 0 HG3 PRO A 66 16.059 -8.905 8.324 1.00 22.08 H new ATOM 0 HD2 PRO A 66 18.509 -7.659 8.166 1.00 22.32 H new ATOM 0 HD3 PRO A 66 17.865 -8.599 6.835 1.00 22.32 H new ATOM 1022 N PRO A 67 14.965 -3.697 7.185 1.00 22.07 N ATOM 1023 CA PRO A 67 14.717 -2.454 7.967 1.00 21.54 C ATOM 1024 C PRO A 67 14.163 -2.636 9.420 1.00 20.86 C ATOM 1025 O PRO A 67 13.201 -3.372 9.671 1.00 19.86 O ATOM 1026 CB PRO A 67 13.739 -1.692 7.046 1.00 21.82 C ATOM 1027 CG PRO A 67 13.025 -2.766 6.224 1.00 20.77 C ATOM 1028 CD PRO A 67 14.104 -3.818 5.996 1.00 22.53 C ATOM 0 HA PRO A 67 15.649 -1.934 8.187 1.00 21.54 H new ATOM 0 HB2 PRO A 67 13.027 -1.107 7.629 1.00 21.82 H new ATOM 0 HB3 PRO A 67 14.272 -0.994 6.400 1.00 21.82 H new ATOM 0 HG2 PRO A 67 12.170 -3.178 6.759 1.00 20.77 H new ATOM 0 HG3 PRO A 67 12.649 -2.366 5.282 1.00 20.77 H new ATOM 0 HD2 PRO A 67 13.677 -4.817 5.910 1.00 22.53 H new ATOM 0 HD3 PRO A 67 14.660 -3.629 5.078 1.00 22.53 H new ATOM 1036 N LYS A 68 14.742 -1.878 10.363 1.00 0.00 N ATOM 1037 CA LYS A 68 14.198 -1.717 11.738 1.00 0.00 C ATOM 1038 C LYS A 68 12.986 -0.721 11.746 1.00 0.00 C ATOM 1039 O LYS A 68 13.139 0.481 11.973 1.00 0.00 O ATOM 1040 CB LYS A 68 15.407 -1.278 12.610 1.00 0.00 C ATOM 1041 CG LYS A 68 15.129 -1.149 14.126 1.00 0.00 C ATOM 1042 CD LYS A 68 16.375 -0.663 14.893 1.00 0.00 C ATOM 1043 CE LYS A 68 16.087 -0.466 16.387 1.00 0.00 C ATOM 1044 NZ LYS A 68 17.295 0.056 17.055 1.00 0.00 N ATOM 0 H LYS A 68 15.603 -1.355 10.203 1.00 0.00 H new ATOM 0 HA LYS A 68 13.776 -2.636 12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.214 -1.996 12.467 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.767 -0.317 12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.307 -0.452 14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.811 -2.114 14.521 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.181 -1.386 14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.722 0.277 14.463 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.256 0.227 16.520 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.788 -1.412 16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.101 0.190 18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.076 -0.621 16.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.560 0.967 16.630 1.00 0.00 H new ATOM 1057 N MET A 69 11.782 -1.238 11.454 1.00 19.21 N ATOM 1058 CA MET A 69 10.577 -0.390 11.230 1.00 19.38 C ATOM 1059 C MET A 69 9.827 -0.068 12.566 1.00 18.97 C ATOM 1060 O MET A 69 9.122 -0.918 13.123 1.00 19.54 O ATOM 1061 CB MET A 69 9.659 -1.106 10.199 1.00 19.49 C ATOM 1062 CG MET A 69 10.189 -1.174 8.752 1.00 17.35 C ATOM 1063 SD MET A 69 8.914 -1.836 7.665 1.00 22.04 S ATOM 1064 CE MET A 69 9.306 -0.943 6.150 1.00 20.68 C ATOM 0 H MET A 69 11.606 -2.239 11.365 1.00 19.21 H new ATOM 0 HA MET A 69 10.883 0.577 10.830 1.00 19.38 H new ATOM 0 HB2 MET A 69 9.480 -2.123 10.547 1.00 19.49 H new ATOM 0 HB3 MET A 69 8.694 -0.599 10.188 1.00 19.49 H new ATOM 0 HG2 MET A 69 10.486 -0.180 8.417 1.00 17.35 H new ATOM 0 HG3 MET A 69 11.078 -1.803 8.710 1.00 17.35 H new ATOM 0 HE1 MET A 69 8.608 -1.234 5.365 1.00 20.68 H new ATOM 0 HE2 MET A 69 9.225 0.129 6.328 1.00 20.68 H new ATOM 0 HE3 MET A 69 10.323 -1.183 5.839 1.00 20.68 H new ATOM 1074 N GLN A 70 9.985 1.165 13.069 1.00 19.36 N ATOM 1075 CA GLN A 70 9.434 1.595 14.385 1.00 20.15 C ATOM 1076 C GLN A 70 8.514 2.858 14.233 1.00 18.46 C ATOM 1077 O GLN A 70 8.968 3.977 13.995 1.00 18.00 O ATOM 1078 CB GLN A 70 10.600 1.689 15.413 1.00 24.41 C ATOM 1079 CG GLN A 70 11.692 2.773 15.190 1.00 31.38 C ATOM 1080 CD GLN A 70 13.001 2.614 15.971 1.00 35.48 C ATOM 1081 OE1 GLN A 70 13.192 1.751 16.824 1.00 38.26 O ATOM 1082 NE2 GLN A 70 13.960 3.463 15.700 1.00 37.11 N ATOM 0 H GLN A 70 10.497 1.901 12.583 1.00 19.36 H new ATOM 0 HA GLN A 70 8.749 0.854 14.796 1.00 20.15 H new ATOM 0 HB2 GLN A 70 10.163 1.855 16.398 1.00 24.41 H new ATOM 0 HB3 GLN A 70 11.096 0.719 15.444 1.00 24.41 H new ATOM 0 HG2 GLN A 70 11.933 2.798 14.127 1.00 31.38 H new ATOM 0 HG3 GLN A 70 11.263 3.743 15.442 1.00 31.38 H new ATOM 0 HE21 GLN A 70 13.817 4.185 14.994 1.00 37.11 H new ATOM 0 HE22 GLN A 70 14.850 3.402 16.195 1.00 37.11 H new ATOM 1091 N PHE A 71 7.192 2.668 14.361 1.00 15.78 N ATOM 1092 CA PHE A 71 6.171 3.729 14.129 1.00 16.42 C ATOM 1093 C PHE A 71 6.172 4.915 15.159 1.00 15.82 C ATOM 1094 O PHE A 71 5.890 4.727 16.351 1.00 15.69 O ATOM 1095 CB PHE A 71 4.773 3.027 14.106 1.00 13.83 C ATOM 1096 CG PHE A 71 4.182 2.731 12.723 1.00 14.92 C ATOM 1097 CD1 PHE A 71 3.514 3.746 12.032 1.00 14.79 C ATOM 1098 CD2 PHE A 71 4.193 1.438 12.195 1.00 14.41 C ATOM 1099 CE1 PHE A 71 2.830 3.467 10.855 1.00 15.39 C ATOM 1100 CE2 PHE A 71 3.512 1.158 11.009 1.00 15.17 C ATOM 1101 CZ PHE A 71 2.816 2.169 10.350 1.00 13.44 C ATOM 0 H PHE A 71 6.787 1.771 14.630 1.00 15.78 H new ATOM 0 HA PHE A 71 6.418 4.211 13.183 1.00 16.42 H new ATOM 0 HB2 PHE A 71 4.854 2.087 14.651 1.00 13.83 H new ATOM 0 HB3 PHE A 71 4.067 3.653 14.652 1.00 13.83 H new ATOM 0 HD1 PHE A 71 3.530 4.755 12.416 1.00 14.79 H new ATOM 0 HD2 PHE A 71 4.730 0.652 12.706 1.00 14.41 H new ATOM 0 HE1 PHE A 71 2.310 4.256 10.332 1.00 15.39 H new ATOM 0 HE2 PHE A 71 3.525 0.158 10.602 1.00 15.17 H new ATOM 0 HZ PHE A 71 2.266 1.946 9.448 1.00 13.44 H new ATOM 1111 N ASP A 72 6.347 6.146 14.658 1.00 16.49 N ATOM 1112 CA ASP A 72 5.929 7.400 15.360 1.00 16.45 C ATOM 1113 C ASP A 72 4.363 7.519 15.487 1.00 16.77 C ATOM 1114 O ASP A 72 3.823 7.571 16.598 1.00 18.39 O ATOM 1115 CB ASP A 72 6.518 8.639 14.630 1.00 15.74 C ATOM 1116 CG ASP A 72 8.024 8.701 14.457 1.00 16.42 C ATOM 1117 OD1 ASP A 72 8.527 8.147 13.459 1.00 17.79 O ATOM 1118 OD2 ASP A 72 8.720 9.349 15.264 1.00 16.31 O ATOM 0 H ASP A 72 6.783 6.317 13.752 1.00 16.49 H new ATOM 0 HA ASP A 72 6.326 7.359 16.374 1.00 16.45 H new ATOM 0 HB2 ASP A 72 6.063 8.694 13.641 1.00 15.74 H new ATOM 0 HB3 ASP A 72 6.205 9.530 15.174 1.00 15.74 H new ATOM 1123 N THR A 73 3.642 7.476 14.347 1.00 17.04 N ATOM 1124 CA THR A 73 2.159 7.332 14.281 1.00 16.25 C ATOM 1125 C THR A 73 1.660 6.001 14.940 1.00 17.20 C ATOM 1126 O THR A 73 1.888 4.907 14.422 1.00 15.77 O ATOM 1127 CB THR A 73 1.755 7.452 12.772 1.00 15.41 C ATOM 1128 OG1 THR A 73 1.926 8.789 12.311 1.00 14.22 O ATOM 1129 CG2 THR A 73 0.312 7.070 12.411 1.00 16.21 C ATOM 0 H THR A 73 4.075 7.541 13.426 1.00 17.04 H new ATOM 0 HA THR A 73 1.673 8.118 14.860 1.00 16.25 H new ATOM 0 HB THR A 73 2.417 6.729 12.295 1.00 15.41 H new ATOM 0 HG1 THR A 73 1.141 9.322 12.555 1.00 14.22 H new ATOM 0 HG21 THR A 73 0.159 7.196 11.339 1.00 16.21 H new ATOM 0 HG22 THR A 73 0.132 6.030 12.683 1.00 16.21 H new ATOM 0 HG23 THR A 73 -0.381 7.712 12.954 1.00 16.21 H new ATOM 1137 N LYS A 74 0.968 6.086 16.085 1.00 17.49 N ATOM 1138 CA LYS A 74 0.483 4.880 16.811 1.00 18.09 C ATOM 1139 C LYS A 74 -0.809 4.253 16.191 1.00 18.57 C ATOM 1140 O LYS A 74 -1.802 4.938 15.933 1.00 18.41 O ATOM 1141 CB LYS A 74 0.382 5.226 18.328 1.00 17.10 C ATOM 1142 CG LYS A 74 1.524 4.622 19.178 1.00 17.81 C ATOM 1143 CD LYS A 74 2.931 5.160 18.839 1.00 19.14 C ATOM 1144 CE LYS A 74 4.016 4.325 19.530 1.00 20.39 C ATOM 1145 NZ LYS A 74 5.356 4.794 19.082 1.00 23.87 N ATOM 0 H LYS A 74 0.727 6.969 16.535 1.00 17.49 H new ATOM 0 HA LYS A 74 1.206 4.072 16.697 1.00 18.09 H new ATOM 0 HB2 LYS A 74 0.386 6.310 18.446 1.00 17.10 H new ATOM 0 HB3 LYS A 74 -0.573 4.868 18.711 1.00 17.10 H new ATOM 0 HG2 LYS A 74 1.318 4.818 20.230 1.00 17.81 H new ATOM 0 HG3 LYS A 74 1.522 3.540 19.049 1.00 17.81 H new ATOM 0 HD2 LYS A 74 3.083 5.139 17.760 1.00 19.14 H new ATOM 0 HD3 LYS A 74 3.012 6.201 19.153 1.00 19.14 H new ATOM 0 HE2 LYS A 74 3.928 4.418 20.613 1.00 20.39 H new ATOM 0 HE3 LYS A 74 3.888 3.270 19.289 1.00 20.39 H new ATOM 0 HZ1 LYS A 74 6.079 4.103 19.367 1.00 23.87 H new ATOM 0 HZ2 LYS A 74 5.361 4.893 18.047 1.00 23.87 H new ATOM 0 HZ3 LYS A 74 5.566 5.714 19.519 1.00 23.87 H new ATOM 1159 N VAL A 75 -0.770 2.934 15.939 1.00 18.67 N ATOM 1160 CA VAL A 75 -1.792 2.231 15.108 1.00 18.01 C ATOM 1161 C VAL A 75 -2.381 1.043 15.934 1.00 18.81 C ATOM 1162 O VAL A 75 -1.647 0.155 16.376 1.00 19.80 O ATOM 1163 CB VAL A 75 -1.190 1.738 13.741 1.00 17.93 C ATOM 1164 CG1 VAL A 75 -2.295 1.260 12.776 1.00 15.83 C ATOM 1165 CG2 VAL A 75 -0.342 2.765 12.956 1.00 16.60 C ATOM 0 H VAL A 75 -0.040 2.319 16.297 1.00 18.67 H new ATOM 0 HA VAL A 75 -2.591 2.929 14.858 1.00 18.01 H new ATOM 0 HB VAL A 75 -0.527 0.933 14.059 1.00 17.93 H new ATOM 0 HG11 VAL A 75 -1.843 0.927 11.842 1.00 15.83 H new ATOM 0 HG12 VAL A 75 -2.842 0.434 13.230 1.00 15.83 H new ATOM 0 HG13 VAL A 75 -2.982 2.082 12.574 1.00 15.83 H new ATOM 0 HG21 VAL A 75 0.018 2.310 12.033 1.00 16.60 H new ATOM 0 HG22 VAL A 75 -0.953 3.635 12.717 1.00 16.60 H new ATOM 0 HG23 VAL A 75 0.508 3.075 13.563 1.00 16.60 H new ATOM 1175 N TYR A 76 -3.712 0.991 16.112 1.00 18.59 N ATOM 1176 CA TYR A 76 -4.374 -0.125 16.847 1.00 18.21 C ATOM 1177 C TYR A 76 -4.637 -1.358 15.911 1.00 18.21 C ATOM 1178 O TYR A 76 -5.700 -1.462 15.293 1.00 18.67 O ATOM 1179 CB TYR A 76 -5.646 0.478 17.514 1.00 18.03 C ATOM 1180 CG TYR A 76 -6.191 -0.353 18.682 1.00 19.12 C ATOM 1181 CD1 TYR A 76 -5.594 -0.234 19.942 1.00 19.29 C ATOM 1182 CD2 TYR A 76 -7.285 -1.209 18.516 1.00 19.02 C ATOM 1183 CE1 TYR A 76 -6.080 -0.970 21.019 1.00 20.38 C ATOM 1184 CE2 TYR A 76 -7.770 -1.943 19.598 1.00 18.47 C ATOM 1185 CZ TYR A 76 -7.164 -1.824 20.847 1.00 19.02 C ATOM 1186 OH TYR A 76 -7.619 -2.531 21.927 1.00 18.85 O ATOM 0 H TYR A 76 -4.357 1.700 15.763 1.00 18.59 H new ATOM 0 HA TYR A 76 -3.736 -0.539 17.628 1.00 18.21 H new ATOM 0 HB2 TYR A 76 -5.415 1.481 17.872 1.00 18.03 H new ATOM 0 HB3 TYR A 76 -6.426 0.580 16.759 1.00 18.03 H new ATOM 0 HD1 TYR A 76 -4.754 0.431 20.079 1.00 19.29 H new ATOM 0 HD2 TYR A 76 -7.755 -1.302 17.548 1.00 19.02 H new ATOM 0 HE1 TYR A 76 -5.615 -0.878 21.989 1.00 20.38 H new ATOM 0 HE2 TYR A 76 -8.615 -2.603 19.468 1.00 18.47 H new ATOM 0 HH TYR A 76 -8.271 -3.199 21.629 1.00 18.85 H new ATOM 1196 N HIS A 77 -3.644 -2.255 15.764 1.00 17.38 N ATOM 1197 CA HIS A 77 -3.678 -3.383 14.783 1.00 16.43 C ATOM 1198 C HIS A 77 -2.951 -4.677 15.334 1.00 16.83 C ATOM 1199 O HIS A 77 -1.857 -4.536 15.887 1.00 16.62 O ATOM 1200 CB HIS A 77 -3.025 -2.847 13.476 1.00 15.35 C ATOM 1201 CG HIS A 77 -3.070 -3.789 12.277 1.00 14.92 C ATOM 1202 ND1 HIS A 77 -4.190 -3.970 11.486 1.00 17.23 N ATOM 1203 CD2 HIS A 77 -1.996 -4.545 11.788 1.00 13.30 C ATOM 1204 CE1 HIS A 77 -3.672 -4.842 10.565 1.00 12.18 C ATOM 1205 NE2 HIS A 77 -2.377 -5.253 10.667 1.00 13.22 N ATOM 0 H HIS A 77 -2.788 -2.227 16.319 1.00 17.38 H new ATOM 0 HA HIS A 77 -4.703 -3.703 14.596 1.00 16.43 H new ATOM 0 HB2 HIS A 77 -3.519 -1.915 13.201 1.00 15.35 H new ATOM 0 HB3 HIS A 77 -1.983 -2.605 13.685 1.00 15.35 H new ATOM 0 HD2 HIS A 77 -1.009 -4.570 12.227 1.00 13.30 H new ATOM 0 HE1 HIS A 77 -4.291 -5.204 9.757 1.00 12.18 H new ATOM 0 HE2 HIS A 77 -1.844 -5.898 10.083 1.00 13.22 H new ATOM 1213 N PRO A 78 -3.431 -5.951 15.162 1.00 17.60 N ATOM 1214 CA PRO A 78 -2.676 -7.176 15.594 1.00 16.97 C ATOM 1215 C PRO A 78 -1.177 -7.379 15.171 1.00 17.77 C ATOM 1216 O PRO A 78 -0.371 -7.868 15.965 1.00 15.87 O ATOM 1217 CB PRO A 78 -3.586 -8.311 15.078 1.00 17.74 C ATOM 1218 CG PRO A 78 -4.988 -7.706 15.050 1.00 19.16 C ATOM 1219 CD PRO A 78 -4.767 -6.259 14.616 1.00 16.82 C ATOM 0 HA PRO A 78 -2.510 -7.117 16.670 1.00 16.97 H new ATOM 0 HB2 PRO A 78 -3.279 -8.644 14.086 1.00 17.74 H new ATOM 0 HB3 PRO A 78 -3.544 -9.181 15.734 1.00 17.74 H new ATOM 0 HG2 PRO A 78 -5.636 -8.236 14.352 1.00 19.16 H new ATOM 0 HG3 PRO A 78 -5.464 -7.759 16.029 1.00 19.16 H new ATOM 0 HD2 PRO A 78 -4.794 -6.154 13.531 1.00 16.82 H new ATOM 0 HD3 PRO A 78 -5.531 -5.595 15.020 1.00 16.82 H new ATOM 1227 N ASN A 79 -0.819 -7.011 13.933 1.00 17.60 N ATOM 1228 CA ASN A 79 0.582 -7.099 13.404 1.00 17.33 C ATOM 1229 C ASN A 79 1.493 -5.819 13.619 1.00 18.12 C ATOM 1230 O ASN A 79 2.697 -5.880 13.365 1.00 18.69 O ATOM 1231 CB ASN A 79 0.545 -7.463 11.882 1.00 16.49 C ATOM 1232 CG ASN A 79 -0.496 -8.450 11.329 1.00 17.76 C ATOM 1233 OD1 ASN A 79 -1.395 -8.079 10.582 1.00 17.14 O ATOM 1234 ND2 ASN A 79 -0.450 -9.704 11.675 1.00 17.62 N ATOM 0 H ASN A 79 -1.484 -6.640 13.254 1.00 17.60 H new ATOM 0 HA ASN A 79 1.054 -7.880 14.001 1.00 17.33 H new ATOM 0 HB2 ASN A 79 0.423 -6.529 11.333 1.00 16.49 H new ATOM 0 HB3 ASN A 79 1.528 -7.858 11.624 1.00 16.49 H new ATOM 0 HD21 ASN A 79 -1.153 -10.356 11.326 1.00 17.62 H new ATOM 0 HD22 ASN A 79 0.289 -10.035 12.295 1.00 17.62 H new ATOM 1241 N ILE A 80 0.943 -4.654 14.018 1.00 16.80 N ATOM 1242 CA ILE A 80 1.664 -3.340 14.091 1.00 17.49 C ATOM 1243 C ILE A 80 1.345 -2.703 15.491 1.00 18.93 C ATOM 1244 O ILE A 80 0.183 -2.599 15.891 1.00 20.65 O ATOM 1245 CB ILE A 80 1.261 -2.428 12.865 1.00 15.25 C ATOM 1246 CG1 ILE A 80 1.841 -2.932 11.506 1.00 14.26 C ATOM 1247 CG2 ILE A 80 1.683 -0.946 13.044 1.00 14.74 C ATOM 1248 CD1 ILE A 80 1.134 -2.414 10.241 1.00 11.06 C ATOM 0 H ILE A 80 -0.033 -4.585 14.307 1.00 16.80 H new ATOM 0 HA ILE A 80 2.744 -3.463 14.014 1.00 17.49 H new ATOM 0 HB ILE A 80 0.173 -2.495 12.840 1.00 15.25 H new ATOM 0 HG12 ILE A 80 2.892 -2.648 11.454 1.00 14.26 H new ATOM 0 HG13 ILE A 80 1.805 -4.021 11.499 1.00 14.26 H new ATOM 0 HG21 ILE A 80 1.378 -0.373 12.169 1.00 14.74 H new ATOM 0 HG22 ILE A 80 1.203 -0.536 13.932 1.00 14.74 H new ATOM 0 HG23 ILE A 80 2.766 -0.887 13.157 1.00 14.74 H new ATOM 0 HD11 ILE A 80 1.620 -2.828 9.357 1.00 11.06 H new ATOM 0 HD12 ILE A 80 0.088 -2.721 10.257 1.00 11.06 H new ATOM 0 HD13 ILE A 80 1.192 -1.326 10.211 1.00 11.06 H new ATOM 1260 N SER A 81 2.371 -2.241 16.224 1.00 20.24 N ATOM 1261 CA SER A 81 2.231 -1.914 17.669 1.00 20.38 C ATOM 1262 C SER A 81 1.391 -0.640 18.028 1.00 21.09 C ATOM 1263 O SER A 81 1.685 0.494 17.625 1.00 21.50 O ATOM 1264 CB SER A 81 3.656 -1.827 18.257 1.00 19.92 C ATOM 1265 OG SER A 81 3.639 -1.747 19.685 1.00 20.73 O ATOM 0 H SER A 81 3.307 -2.083 15.850 1.00 20.24 H new ATOM 0 HA SER A 81 1.638 -2.714 18.114 1.00 20.38 H new ATOM 0 HB2 SER A 81 4.230 -2.701 17.949 1.00 19.92 H new ATOM 0 HB3 SER A 81 4.164 -0.953 17.850 1.00 19.92 H new ATOM 0 HG SER A 81 3.616 -2.651 20.063 1.00 20.73 H new ATOM 1271 N SER A 82 0.388 -0.860 18.884 1.00 23.74 N ATOM 1272 CA SER A 82 -0.329 0.216 19.614 1.00 25.62 C ATOM 1273 C SER A 82 0.485 1.007 20.700 1.00 26.12 C ATOM 1274 O SER A 82 0.340 2.227 20.810 1.00 27.64 O ATOM 1275 CB SER A 82 -1.600 -0.434 20.213 1.00 25.43 C ATOM 1276 OG SER A 82 -1.318 -1.327 21.302 1.00 27.14 O ATOM 0 H SER A 82 0.040 -1.795 19.099 1.00 23.74 H new ATOM 0 HA SER A 82 -0.550 1.003 18.893 1.00 25.62 H new ATOM 0 HB2 SER A 82 -2.273 0.350 20.560 1.00 25.43 H new ATOM 0 HB3 SER A 82 -2.125 -0.981 19.429 1.00 25.43 H new ATOM 0 HG SER A 82 -0.601 -1.942 21.043 1.00 27.14 H new ATOM 1282 N VAL A 83 1.326 0.328 21.500 1.00 25.93 N ATOM 1283 CA VAL A 83 2.108 0.952 22.612 1.00 26.70 C ATOM 1284 C VAL A 83 3.547 1.379 22.142 1.00 26.05 C ATOM 1285 O VAL A 83 3.925 2.546 22.281 1.00 26.86 O ATOM 1286 CB VAL A 83 2.084 0.008 23.873 1.00 27.24 C ATOM 1287 CG1 VAL A 83 2.899 0.547 25.074 1.00 27.88 C ATOM 1288 CG2 VAL A 83 0.663 -0.284 24.417 1.00 26.59 C ATOM 0 H VAL A 83 1.492 -0.674 21.403 1.00 25.93 H new ATOM 0 HA VAL A 83 1.635 1.886 22.915 1.00 26.70 H new ATOM 0 HB VAL A 83 2.535 -0.904 23.481 1.00 27.24 H new ATOM 0 HG11 VAL A 83 2.834 -0.158 25.903 1.00 27.88 H new ATOM 0 HG12 VAL A 83 3.942 0.668 24.781 1.00 27.88 H new ATOM 0 HG13 VAL A 83 2.495 1.511 25.384 1.00 27.88 H new ATOM 0 HG21 VAL A 83 0.733 -0.940 25.284 1.00 26.59 H new ATOM 0 HG22 VAL A 83 0.185 0.652 24.708 1.00 26.59 H new ATOM 0 HG23 VAL A 83 0.069 -0.769 23.642 1.00 26.59 H new ATOM 1298 N THR A 84 4.365 0.451 21.616 1.00 25.49 N ATOM 1299 CA THR A 84 5.821 0.686 21.342 1.00 24.72 C ATOM 1300 C THR A 84 6.141 1.470 20.021 1.00 24.14 C ATOM 1301 O THR A 84 6.871 2.467 20.039 1.00 24.32 O ATOM 1302 CB THR A 84 6.646 -0.645 21.414 1.00 25.05 C ATOM 1303 OG1 THR A 84 6.327 -1.532 20.344 1.00 25.37 O ATOM 1304 CG2 THR A 84 6.523 -1.453 22.715 1.00 25.49 C ATOM 0 H THR A 84 4.051 -0.486 21.364 1.00 25.49 H new ATOM 0 HA THR A 84 6.136 1.350 22.147 1.00 24.72 H new ATOM 0 HB THR A 84 7.670 -0.276 21.352 1.00 25.05 H new ATOM 0 HG1 THR A 84 5.358 -1.533 20.197 1.00 25.37 H new ATOM 0 HG21 THR A 84 7.138 -2.350 22.645 1.00 25.49 H new ATOM 0 HG22 THR A 84 6.862 -0.845 23.554 1.00 25.49 H new ATOM 0 HG23 THR A 84 5.482 -1.737 22.870 1.00 25.49 H new ATOM 1312 N GLY A 85 5.621 1.023 18.869 1.00 21.91 N ATOM 1313 CA GLY A 85 6.233 1.300 17.534 1.00 19.76 C ATOM 1314 C GLY A 85 6.565 0.068 16.651 1.00 19.50 C ATOM 1315 O GLY A 85 6.376 0.132 15.437 1.00 19.36 O ATOM 0 H GLY A 85 4.771 0.462 18.821 1.00 21.91 H new ATOM 0 HA2 GLY A 85 5.555 1.946 16.976 1.00 19.76 H new ATOM 0 HA3 GLY A 85 7.153 1.864 17.691 1.00 19.76 H new ATOM 1319 N ALA A 86 7.092 -1.020 17.231 1.00 20.02 N ATOM 1320 CA ALA A 86 7.506 -2.242 16.488 1.00 19.54 C ATOM 1321 C ALA A 86 6.431 -2.974 15.598 1.00 18.92 C ATOM 1322 O ALA A 86 5.232 -2.682 15.637 1.00 18.26 O ATOM 1323 CB ALA A 86 8.078 -3.143 17.604 1.00 19.79 C ATOM 0 H ALA A 86 7.248 -1.087 18.237 1.00 20.02 H new ATOM 0 HA ALA A 86 8.211 -1.970 15.702 1.00 19.54 H new ATOM 0 HB1 ALA A 86 8.419 -4.084 17.173 1.00 19.79 H new ATOM 0 HB2 ALA A 86 8.916 -2.639 18.085 1.00 19.79 H new ATOM 0 HB3 ALA A 86 7.303 -3.343 18.343 1.00 19.79 H new ATOM 1329 N ILE A 87 6.891 -3.892 14.733 1.00 18.52 N ATOM 1330 CA ILE A 87 6.025 -4.586 13.724 1.00 17.97 C ATOM 1331 C ILE A 87 6.386 -6.115 13.700 1.00 19.18 C ATOM 1332 O ILE A 87 7.562 -6.490 13.751 1.00 18.67 O ATOM 1333 CB ILE A 87 6.151 -3.903 12.302 1.00 16.12 C ATOM 1334 CG1 ILE A 87 5.848 -2.369 12.313 1.00 13.86 C ATOM 1335 CG2 ILE A 87 5.274 -4.612 11.230 1.00 14.86 C ATOM 1336 CD1 ILE A 87 6.035 -1.618 10.985 1.00 11.91 C ATOM 0 H ILE A 87 7.868 -4.184 14.701 1.00 18.52 H new ATOM 0 HA ILE A 87 4.977 -4.493 14.009 1.00 17.97 H new ATOM 0 HB ILE A 87 7.200 -4.021 12.031 1.00 16.12 H new ATOM 0 HG12 ILE A 87 4.818 -2.228 12.641 1.00 13.86 H new ATOM 0 HG13 ILE A 87 6.488 -1.901 13.061 1.00 13.86 H new ATOM 0 HG21 ILE A 87 5.393 -4.108 10.271 1.00 14.86 H new ATOM 0 HG22 ILE A 87 5.586 -5.652 11.135 1.00 14.86 H new ATOM 0 HG23 ILE A 87 4.228 -4.573 11.532 1.00 14.86 H new ATOM 0 HD11 ILE A 87 5.793 -0.564 11.126 1.00 11.91 H new ATOM 0 HD12 ILE A 87 7.070 -1.712 10.656 1.00 11.91 H new ATOM 0 HD13 ILE A 87 5.374 -2.044 10.230 1.00 11.91 H new ATOM 1348 N CYS A 88 5.391 -7.002 13.522 1.00 20.54 N ATOM 1349 CA CYS A 88 5.629 -8.408 13.098 1.00 22.79 C ATOM 1350 C CYS A 88 5.213 -8.614 11.598 1.00 22.07 C ATOM 1351 O CYS A 88 4.029 -8.686 11.257 1.00 22.18 O ATOM 1352 CB CYS A 88 4.920 -9.378 14.077 1.00 24.61 C ATOM 1353 SG CYS A 88 6.038 -10.676 14.692 1.00 30.50 S ATOM 0 H CYS A 88 4.407 -6.776 13.664 1.00 20.54 H new ATOM 0 HA CYS A 88 6.694 -8.635 13.145 1.00 22.79 H new ATOM 0 HB2 CYS A 88 4.523 -8.814 14.921 1.00 24.61 H new ATOM 0 HB3 CYS A 88 4.070 -9.841 13.575 1.00 24.61 H new ATOM 1358 N LEU A 89 6.210 -8.714 10.706 1.00 21.39 N ATOM 1359 CA LEU A 89 6.074 -9.463 9.424 1.00 22.95 C ATOM 1360 C LEU A 89 7.491 -10.053 9.100 1.00 24.74 C ATOM 1361 O LEU A 89 8.415 -9.297 8.773 1.00 23.64 O ATOM 1362 CB LEU A 89 5.508 -8.519 8.320 1.00 21.99 C ATOM 1363 CG LEU A 89 5.110 -9.192 6.980 1.00 22.98 C ATOM 1364 CD1 LEU A 89 3.844 -10.054 7.125 1.00 22.38 C ATOM 1365 CD2 LEU A 89 4.866 -8.135 5.892 1.00 22.90 C ATOM 0 H LEU A 89 7.127 -8.288 10.840 1.00 21.39 H new ATOM 0 HA LEU A 89 5.363 -10.287 9.486 1.00 22.95 H new ATOM 0 HB2 LEU A 89 4.632 -8.010 8.721 1.00 21.99 H new ATOM 0 HB3 LEU A 89 6.254 -7.752 8.110 1.00 21.99 H new ATOM 0 HG LEU A 89 5.942 -9.836 6.694 1.00 22.98 H new ATOM 0 HD11 LEU A 89 3.600 -10.507 6.164 1.00 22.38 H new ATOM 0 HD12 LEU A 89 4.020 -10.838 7.861 1.00 22.38 H new ATOM 0 HD13 LEU A 89 3.014 -9.429 7.452 1.00 22.38 H new ATOM 0 HD21 LEU A 89 4.588 -8.629 4.961 1.00 22.90 H new ATOM 0 HD22 LEU A 89 4.061 -7.470 6.205 1.00 22.90 H new ATOM 0 HD23 LEU A 89 5.776 -7.555 5.738 1.00 22.90 H new ATOM 1377 N ASP A 90 7.705 -11.376 9.252 1.00 0.00 N ATOM 1378 CA ASP A 90 9.082 -11.945 9.409 1.00 0.00 C ATOM 1379 C ASP A 90 10.076 -11.762 8.206 1.00 0.00 C ATOM 1380 O ASP A 90 11.177 -11.253 8.417 1.00 0.00 O ATOM 1381 CB ASP A 90 8.970 -13.406 9.910 1.00 0.00 C ATOM 1382 CG ASP A 90 10.261 -13.919 10.544 1.00 0.00 C ATOM 1383 OD1 ASP A 90 10.468 -13.683 11.752 1.00 0.00 O ATOM 1384 OD2 ASP A 90 11.092 -14.514 9.829 1.00 0.00 O ATOM 0 H ASP A 90 6.960 -12.072 9.271 1.00 0.00 H new ATOM 0 HA ASP A 90 9.576 -11.330 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.162 -13.474 10.638 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.701 -14.051 9.074 1.00 0.00 H new ATOM 1389 N ILE A 91 9.715 -12.076 6.949 1.00 26.95 N ATOM 1390 CA ILE A 91 10.582 -11.738 5.760 1.00 26.53 C ATOM 1391 C ILE A 91 10.835 -10.202 5.477 1.00 26.49 C ATOM 1392 O ILE A 91 11.818 -9.847 4.822 1.00 24.98 O ATOM 1393 CB ILE A 91 10.200 -12.559 4.474 1.00 26.13 C ATOM 1394 CG1 ILE A 91 8.806 -12.252 3.854 1.00 26.96 C ATOM 1395 CG2 ILE A 91 10.365 -14.088 4.668 1.00 24.88 C ATOM 1396 CD1 ILE A 91 8.806 -11.024 2.929 1.00 27.93 C ATOM 0 H ILE A 91 8.847 -12.556 6.711 1.00 26.95 H new ATOM 0 HA ILE A 91 11.570 -12.076 6.074 1.00 26.53 H new ATOM 0 HB ILE A 91 10.930 -12.202 3.747 1.00 26.13 H new ATOM 0 HG12 ILE A 91 8.468 -13.122 3.291 1.00 26.96 H new ATOM 0 HG13 ILE A 91 8.087 -12.093 4.657 1.00 26.96 H new ATOM 0 HG21 ILE A 91 10.087 -14.603 3.749 1.00 24.88 H new ATOM 0 HG22 ILE A 91 11.403 -14.314 4.911 1.00 24.88 H new ATOM 0 HG23 ILE A 91 9.721 -14.423 5.481 1.00 24.88 H new ATOM 0 HD11 ILE A 91 7.803 -10.868 2.532 1.00 27.93 H new ATOM 0 HD12 ILE A 91 9.114 -10.144 3.493 1.00 27.93 H new ATOM 0 HD13 ILE A 91 9.501 -11.189 2.106 1.00 27.93 H new ATOM 1408 N LEU A 92 9.972 -9.294 5.971 1.00 27.27 N ATOM 1409 CA LEU A 92 10.259 -7.832 6.042 1.00 29.40 C ATOM 1410 C LEU A 92 11.297 -7.399 7.143 1.00 31.06 C ATOM 1411 O LEU A 92 12.162 -6.574 6.846 1.00 31.94 O ATOM 1412 CB LEU A 92 8.870 -7.123 6.132 1.00 28.35 C ATOM 1413 CG LEU A 92 8.823 -5.584 6.331 1.00 29.14 C ATOM 1414 CD1 LEU A 92 9.578 -4.806 5.247 1.00 28.22 C ATOM 1415 CD2 LEU A 92 7.367 -5.091 6.362 1.00 28.15 C ATOM 0 H LEU A 92 9.053 -9.545 6.335 1.00 27.27 H new ATOM 0 HA LEU A 92 10.792 -7.515 5.146 1.00 29.40 H new ATOM 0 HB2 LEU A 92 8.323 -7.354 5.218 1.00 28.35 H new ATOM 0 HB3 LEU A 92 8.321 -7.578 6.956 1.00 28.35 H new ATOM 0 HG LEU A 92 9.318 -5.393 7.283 1.00 29.14 H new ATOM 0 HD11 LEU A 92 9.504 -3.737 5.448 1.00 28.22 H new ATOM 0 HD12 LEU A 92 10.626 -5.104 5.249 1.00 28.22 H new ATOM 0 HD13 LEU A 92 9.141 -5.023 4.272 1.00 28.22 H new ATOM 0 HD21 LEU A 92 7.352 -4.010 6.502 1.00 28.15 H new ATOM 0 HD22 LEU A 92 6.878 -5.342 5.421 1.00 28.15 H new ATOM 0 HD23 LEU A 92 6.838 -5.571 7.185 1.00 28.15 H new ATOM 1427 N LYS A 93 11.198 -7.902 8.385 1.00 0.00 N ATOM 1428 CA LYS A 93 12.073 -7.484 9.530 1.00 0.00 C ATOM 1429 C LYS A 93 13.267 -8.444 9.918 1.00 0.00 C ATOM 1430 O LYS A 93 14.245 -7.980 10.510 1.00 0.00 O ATOM 1431 CB LYS A 93 11.097 -7.241 10.713 1.00 0.00 C ATOM 1432 CG LYS A 93 11.661 -6.376 11.866 1.00 0.00 C ATOM 1433 CD LYS A 93 10.620 -6.231 12.988 1.00 0.00 C ATOM 1434 CE LYS A 93 11.050 -5.275 14.107 1.00 0.00 C ATOM 1435 NZ LYS A 93 10.041 -5.357 15.181 1.00 0.00 N ATOM 0 H LYS A 93 10.512 -8.613 8.640 1.00 0.00 H new ATOM 0 HA LYS A 93 12.629 -6.595 9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.197 -6.762 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.796 -8.207 11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.569 -6.832 12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.937 -5.391 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.683 -5.876 12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.422 -7.213 13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.035 -5.548 14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.125 -4.255 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.874 -4.409 15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.152 -5.733 14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.385 -5.988 15.933 1.00 0.00 H new ATOM 1448 N ASN A 94 13.195 -9.752 9.619 1.00 34.69 N ATOM 1449 CA ASN A 94 14.210 -10.775 10.012 1.00 35.06 C ATOM 1450 C ASN A 94 14.843 -11.492 8.762 1.00 34.64 C ATOM 1451 O ASN A 94 16.055 -11.385 8.540 1.00 35.95 O ATOM 1452 CB ASN A 94 13.561 -11.786 11.007 1.00 37.34 C ATOM 1453 CG ASN A 94 13.147 -11.228 12.372 1.00 39.86 C ATOM 1454 OD1 ASN A 94 13.917 -10.595 13.084 1.00 41.56 O ATOM 1455 ND2 ASN A 94 11.941 -11.473 12.811 1.00 42.53 N ATOM 0 H ASN A 94 12.419 -10.147 9.088 1.00 34.69 H new ATOM 0 HA ASN A 94 15.039 -10.275 10.513 1.00 35.06 H new ATOM 0 HB2 ASN A 94 12.679 -12.215 10.531 1.00 37.34 H new ATOM 0 HB3 ASN A 94 14.264 -12.603 11.171 1.00 37.34 H new ATOM 0 HD21 ASN A 94 11.656 -11.139 13.731 1.00 42.53 H new ATOM 0 HD22 ASN A 94 11.285 -11.998 12.233 1.00 42.53 H new ATOM 1462 N ALA A 95 14.055 -12.231 7.954 1.00 31.73 N ATOM 1463 CA ALA A 95 14.572 -13.063 6.833 1.00 28.15 C ATOM 1464 C ALA A 95 14.462 -12.376 5.424 1.00 26.84 C ATOM 1465 O ALA A 95 13.581 -12.676 4.613 1.00 25.88 O ATOM 1466 CB ALA A 95 13.802 -14.394 6.962 1.00 27.74 C ATOM 0 H ALA A 95 13.041 -12.272 8.055 1.00 31.73 H new ATOM 0 HA ALA A 95 15.648 -13.220 6.904 1.00 28.15 H new ATOM 0 HB1 ALA A 95 14.119 -15.075 6.172 1.00 27.74 H new ATOM 0 HB2 ALA A 95 14.010 -14.842 7.933 1.00 27.74 H new ATOM 0 HB3 ALA A 95 12.732 -14.206 6.871 1.00 27.74 H new ATOM 1472 N TRP A 96 15.388 -11.450 5.128 1.00 25.37 N ATOM 1473 CA TRP A 96 15.293 -10.554 3.937 1.00 24.83 C ATOM 1474 C TRP A 96 15.640 -11.214 2.555 1.00 25.10 C ATOM 1475 O TRP A 96 16.614 -11.962 2.424 1.00 25.39 O ATOM 1476 CB TRP A 96 16.237 -9.360 4.252 1.00 24.84 C ATOM 1477 CG TRP A 96 16.134 -8.102 3.371 1.00 23.44 C ATOM 1478 CD1 TRP A 96 17.206 -7.552 2.645 1.00 23.23 C ATOM 1479 CD2 TRP A 96 15.102 -7.184 3.240 1.00 22.91 C ATOM 1480 NE1 TRP A 96 16.886 -6.307 2.077 1.00 23.50 N ATOM 1481 CE2 TRP A 96 15.579 -6.094 2.464 1.00 22.53 C ATOM 1482 CE3 TRP A 96 13.787 -7.162 3.766 1.00 22.84 C ATOM 1483 CZ2 TRP A 96 14.752 -4.973 2.228 1.00 22.95 C ATOM 1484 CZ3 TRP A 96 12.973 -6.066 3.477 1.00 21.44 C ATOM 1485 CH2 TRP A 96 13.451 -4.980 2.734 1.00 21.06 C ATOM 0 H TRP A 96 16.221 -11.292 5.695 1.00 25.37 H new ATOM 0 HA TRP A 96 14.253 -10.260 3.797 1.00 24.83 H new ATOM 0 HB2 TRP A 96 16.061 -9.059 5.285 1.00 24.84 H new ATOM 0 HB3 TRP A 96 17.263 -9.723 4.196 1.00 24.84 H new ATOM 0 HD1 TRP A 96 18.167 -8.033 2.536 1.00 23.23 H new ATOM 0 HE1 TRP A 96 17.481 -5.702 1.511 1.00 23.50 H new ATOM 0 HE3 TRP A 96 13.423 -7.975 4.377 1.00 22.84 H new ATOM 0 HZ2 TRP A 96 15.119 -4.127 1.667 1.00 22.95 H new ATOM 0 HZ3 TRP A 96 11.954 -6.055 3.834 1.00 21.44 H new ATOM 0 HH2 TRP A 96 12.804 -4.135 2.550 1.00 21.06 H new ATOM 1496 N SER A 97 14.887 -10.847 1.503 1.00 24.59 N ATOM 1497 CA SER A 97 15.356 -10.987 0.094 1.00 23.64 C ATOM 1498 C SER A 97 16.212 -9.728 -0.320 1.00 23.40 C ATOM 1499 O SER A 97 15.631 -8.636 -0.385 1.00 23.83 O ATOM 1500 CB SER A 97 14.116 -11.198 -0.805 1.00 24.38 C ATOM 1501 OG SER A 97 14.469 -11.314 -2.187 1.00 26.61 O ATOM 0 H SER A 97 13.951 -10.451 1.591 1.00 24.59 H new ATOM 0 HA SER A 97 16.012 -11.850 -0.021 1.00 23.64 H new ATOM 0 HB2 SER A 97 13.588 -12.098 -0.489 1.00 24.38 H new ATOM 0 HB3 SER A 97 13.428 -10.363 -0.675 1.00 24.38 H new ATOM 0 HG SER A 97 14.009 -10.619 -2.702 1.00 26.61 H new ATOM 1507 N PRO A 98 17.552 -9.795 -0.608 1.00 22.56 N ATOM 1508 CA PRO A 98 18.402 -8.582 -0.844 1.00 21.53 C ATOM 1509 C PRO A 98 18.017 -7.471 -1.878 1.00 20.98 C ATOM 1510 O PRO A 98 18.536 -6.355 -1.787 1.00 20.69 O ATOM 1511 CB PRO A 98 19.776 -9.206 -1.153 1.00 21.96 C ATOM 1512 CG PRO A 98 19.787 -10.519 -0.372 1.00 23.68 C ATOM 1513 CD PRO A 98 18.354 -11.032 -0.474 1.00 23.17 C ATOM 0 HA PRO A 98 18.302 -7.950 0.038 1.00 21.53 H new ATOM 0 HB2 PRO A 98 19.901 -9.379 -2.222 1.00 21.96 H new ATOM 0 HB3 PRO A 98 20.589 -8.551 -0.839 1.00 21.96 H new ATOM 0 HG2 PRO A 98 20.495 -11.229 -0.799 1.00 23.68 H new ATOM 0 HG3 PRO A 98 20.080 -10.362 0.666 1.00 23.68 H new ATOM 0 HD2 PRO A 98 18.224 -11.690 -1.333 1.00 23.17 H new ATOM 0 HD3 PRO A 98 18.068 -11.602 0.410 1.00 23.17 H new ATOM 1521 N VAL A 99 17.117 -7.748 -2.831 1.00 20.55 N ATOM 1522 CA VAL A 99 16.577 -6.738 -3.803 1.00 21.12 C ATOM 1523 C VAL A 99 15.098 -6.241 -3.540 1.00 20.82 C ATOM 1524 O VAL A 99 14.438 -5.761 -4.468 1.00 20.70 O ATOM 1525 CB VAL A 99 16.844 -7.210 -5.282 1.00 20.09 C ATOM 1526 CG1 VAL A 99 18.336 -7.161 -5.681 1.00 20.97 C ATOM 1527 CG2 VAL A 99 16.286 -8.604 -5.652 1.00 21.53 C ATOM 0 H VAL A 99 16.729 -8.682 -2.965 1.00 20.55 H new ATOM 0 HA VAL A 99 17.142 -5.822 -3.628 1.00 21.12 H new ATOM 0 HB VAL A 99 16.281 -6.472 -5.853 1.00 20.09 H new ATOM 0 HG11 VAL A 99 18.448 -7.499 -6.711 1.00 20.97 H new ATOM 0 HG12 VAL A 99 18.703 -6.138 -5.592 1.00 20.97 H new ATOM 0 HG13 VAL A 99 18.911 -7.811 -5.021 1.00 20.97 H new ATOM 0 HG21 VAL A 99 16.526 -8.828 -6.691 1.00 21.53 H new ATOM 0 HG22 VAL A 99 16.734 -9.359 -5.005 1.00 21.53 H new ATOM 0 HG23 VAL A 99 15.204 -8.609 -5.521 1.00 21.53 H new ATOM 1537 N ILE A 100 14.594 -6.215 -2.284 1.00 19.68 N ATOM 1538 CA ILE A 100 13.322 -5.495 -1.928 1.00 17.80 C ATOM 1539 C ILE A 100 13.643 -3.969 -1.731 1.00 16.89 C ATOM 1540 O ILE A 100 14.411 -3.589 -0.841 1.00 16.23 O ATOM 1541 CB ILE A 100 12.609 -6.100 -0.660 1.00 17.77 C ATOM 1542 CG1 ILE A 100 12.232 -7.603 -0.771 1.00 18.51 C ATOM 1543 CG2 ILE A 100 11.327 -5.313 -0.251 1.00 18.70 C ATOM 1544 CD1 ILE A 100 12.010 -8.305 0.585 1.00 18.09 C ATOM 0 H ILE A 100 15.039 -6.680 -1.493 1.00 19.68 H new ATOM 0 HA ILE A 100 12.616 -5.623 -2.748 1.00 17.80 H new ATOM 0 HB ILE A 100 13.376 -6.002 0.108 1.00 17.77 H new ATOM 0 HG12 ILE A 100 11.324 -7.694 -1.367 1.00 18.51 H new ATOM 0 HG13 ILE A 100 13.022 -8.124 -1.312 1.00 18.51 H new ATOM 0 HG21 ILE A 100 10.880 -5.777 0.628 1.00 18.70 H new ATOM 0 HG22 ILE A 100 11.591 -4.281 -0.022 1.00 18.70 H new ATOM 0 HG23 ILE A 100 10.612 -5.330 -1.073 1.00 18.70 H new ATOM 0 HD11 ILE A 100 11.751 -9.350 0.416 1.00 18.09 H new ATOM 0 HD12 ILE A 100 12.923 -8.249 1.177 1.00 18.09 H new ATOM 0 HD13 ILE A 100 11.199 -7.812 1.121 1.00 18.09 H new ATOM 1556 N THR A 101 13.030 -3.092 -2.535 1.00 14.54 N ATOM 1557 CA THR A 101 13.078 -1.607 -2.329 1.00 12.81 C ATOM 1558 C THR A 101 12.169 -1.114 -1.153 1.00 12.91 C ATOM 1559 O THR A 101 11.083 -1.660 -0.935 1.00 12.94 O ATOM 1560 CB THR A 101 12.710 -0.872 -3.662 1.00 13.40 C ATOM 1561 OG1 THR A 101 11.452 -1.283 -4.183 1.00 13.09 O ATOM 1562 CG2 THR A 101 13.732 -1.040 -4.796 1.00 12.22 C ATOM 0 H THR A 101 12.484 -3.373 -3.349 1.00 14.54 H new ATOM 0 HA THR A 101 14.100 -1.359 -2.043 1.00 12.81 H new ATOM 0 HB THR A 101 12.691 0.174 -3.356 1.00 13.40 H new ATOM 0 HG1 THR A 101 11.267 -0.796 -5.013 1.00 13.09 H new ATOM 0 HG21 THR A 101 13.391 -0.496 -5.677 1.00 12.22 H new ATOM 0 HG22 THR A 101 14.697 -0.646 -4.477 1.00 12.22 H new ATOM 0 HG23 THR A 101 13.835 -2.097 -5.040 1.00 12.22 H new ATOM 1570 N LEU A 102 12.539 -0.023 -0.451 1.00 13.36 N ATOM 1571 CA LEU A 102 11.600 0.691 0.478 1.00 14.21 C ATOM 1572 C LEU A 102 10.270 1.239 -0.159 1.00 15.32 C ATOM 1573 O LEU A 102 9.214 1.187 0.477 1.00 16.45 O ATOM 1574 CB LEU A 102 12.340 1.795 1.284 1.00 12.61 C ATOM 1575 CG LEU A 102 13.384 1.360 2.347 1.00 11.92 C ATOM 1576 CD1 LEU A 102 13.950 2.613 3.036 1.00 12.37 C ATOM 1577 CD2 LEU A 102 12.814 0.424 3.428 1.00 12.40 C ATOM 0 H LEU A 102 13.470 0.390 -0.500 1.00 13.36 H new ATOM 0 HA LEU A 102 11.257 -0.091 1.155 1.00 14.21 H new ATOM 0 HB2 LEU A 102 12.845 2.445 0.570 1.00 12.61 H new ATOM 0 HB3 LEU A 102 11.586 2.400 1.788 1.00 12.61 H new ATOM 0 HG LEU A 102 14.155 0.803 1.815 1.00 11.92 H new ATOM 0 HD11 LEU A 102 14.685 2.316 3.785 1.00 12.37 H new ATOM 0 HD12 LEU A 102 14.427 3.253 2.293 1.00 12.37 H new ATOM 0 HD13 LEU A 102 13.140 3.160 3.519 1.00 12.37 H new ATOM 0 HD21 LEU A 102 13.601 0.163 4.135 1.00 12.40 H new ATOM 0 HD22 LEU A 102 12.005 0.928 3.956 1.00 12.40 H new ATOM 0 HD23 LEU A 102 12.432 -0.483 2.959 1.00 12.40 H new ATOM 1589 N LYS A 103 10.284 1.666 -1.436 1.00 16.41 N ATOM 1590 CA LYS A 103 9.046 1.810 -2.260 1.00 16.22 C ATOM 1591 C LYS A 103 8.098 0.547 -2.343 1.00 16.76 C ATOM 1592 O LYS A 103 6.877 0.706 -2.300 1.00 17.65 O ATOM 1593 CB LYS A 103 9.510 2.334 -3.650 1.00 18.49 C ATOM 1594 CG LYS A 103 8.393 2.960 -4.518 1.00 21.96 C ATOM 1595 CD LYS A 103 8.936 3.515 -5.855 1.00 25.61 C ATOM 1596 CE LYS A 103 7.842 4.255 -6.643 1.00 26.89 C ATOM 1597 NZ LYS A 103 8.249 4.511 -8.046 1.00 28.93 N ATOM 0 H LYS A 103 11.139 1.921 -1.931 1.00 16.41 H new ATOM 0 HA LYS A 103 8.380 2.515 -1.762 1.00 16.22 H new ATOM 0 HB2 LYS A 103 10.292 3.078 -3.499 1.00 18.49 H new ATOM 0 HB3 LYS A 103 9.959 1.508 -4.202 1.00 18.49 H new ATOM 0 HG2 LYS A 103 7.629 2.209 -4.721 1.00 21.96 H new ATOM 0 HG3 LYS A 103 7.910 3.764 -3.962 1.00 21.96 H new ATOM 0 HD2 LYS A 103 9.766 4.193 -5.658 1.00 25.61 H new ATOM 0 HD3 LYS A 103 9.329 2.696 -6.457 1.00 25.61 H new ATOM 0 HE2 LYS A 103 6.925 3.665 -6.633 1.00 26.89 H new ATOM 0 HE3 LYS A 103 7.618 5.202 -6.151 1.00 26.89 H new ATOM 0 HZ1 LYS A 103 7.404 4.691 -8.625 1.00 28.93 H new ATOM 0 HZ2 LYS A 103 8.875 5.341 -8.080 1.00 28.93 H new ATOM 0 HZ3 LYS A 103 8.754 3.681 -8.418 1.00 28.93 H new ATOM 1611 N SER A 104 8.629 -0.689 -2.435 1.00 16.09 N ATOM 1612 CA SER A 104 7.840 -1.929 -2.162 1.00 15.95 C ATOM 1613 C SER A 104 7.512 -2.236 -0.653 1.00 15.10 C ATOM 1614 O SER A 104 6.387 -2.661 -0.372 1.00 15.19 O ATOM 1615 CB SER A 104 8.552 -3.114 -2.860 1.00 16.53 C ATOM 1616 OG SER A 104 7.733 -4.289 -2.840 1.00 19.87 O ATOM 0 H SER A 104 9.599 -0.865 -2.695 1.00 16.09 H new ATOM 0 HA SER A 104 6.846 -1.762 -2.577 1.00 15.95 H new ATOM 0 HB2 SER A 104 8.785 -2.847 -3.891 1.00 16.53 H new ATOM 0 HB3 SER A 104 9.499 -3.318 -2.361 1.00 16.53 H new ATOM 0 HG SER A 104 8.203 -5.023 -3.288 1.00 19.87 H new ATOM 1622 N ALA A 105 8.446 -2.039 0.295 1.00 14.75 N ATOM 1623 CA ALA A 105 8.232 -2.310 1.746 1.00 14.70 C ATOM 1624 C ALA A 105 7.181 -1.432 2.515 1.00 16.53 C ATOM 1625 O ALA A 105 6.388 -1.982 3.280 1.00 15.90 O ATOM 1626 CB ALA A 105 9.624 -2.250 2.400 1.00 13.74 C ATOM 0 H ALA A 105 9.379 -1.685 0.084 1.00 14.75 H new ATOM 0 HA ALA A 105 7.757 -3.288 1.819 1.00 14.70 H new ATOM 0 HB1 ALA A 105 9.532 -2.442 3.469 1.00 13.74 H new ATOM 0 HB2 ALA A 105 10.270 -3.004 1.950 1.00 13.74 H new ATOM 0 HB3 ALA A 105 10.057 -1.262 2.244 1.00 13.74 H new ATOM 1632 N LEU A 106 7.116 -0.103 2.312 1.00 16.62 N ATOM 1633 CA LEU A 106 6.000 0.737 2.857 1.00 17.01 C ATOM 1634 C LEU A 106 4.586 0.472 2.211 1.00 17.73 C ATOM 1635 O LEU A 106 3.584 0.464 2.928 1.00 17.78 O ATOM 1636 CB LEU A 106 6.393 2.243 2.837 1.00 17.68 C ATOM 1637 CG LEU A 106 7.456 2.805 3.823 1.00 18.75 C ATOM 1638 CD1 LEU A 106 7.197 2.415 5.286 1.00 17.64 C ATOM 1639 CD2 LEU A 106 8.902 2.470 3.435 1.00 18.07 C ATOM 0 H LEU A 106 7.811 0.422 1.781 1.00 16.62 H new ATOM 0 HA LEU A 106 5.868 0.422 3.892 1.00 17.01 H new ATOM 0 HB2 LEU A 106 6.741 2.469 1.829 1.00 17.68 H new ATOM 0 HB3 LEU A 106 5.478 2.814 2.994 1.00 17.68 H new ATOM 0 HG LEU A 106 7.339 3.885 3.738 1.00 18.75 H new ATOM 0 HD11 LEU A 106 7.976 2.840 5.919 1.00 17.64 H new ATOM 0 HD12 LEU A 106 6.226 2.799 5.598 1.00 17.64 H new ATOM 0 HD13 LEU A 106 7.205 1.329 5.380 1.00 17.64 H new ATOM 0 HD21 LEU A 106 9.584 2.896 4.171 1.00 18.07 H new ATOM 0 HD22 LEU A 106 9.030 1.388 3.406 1.00 18.07 H new ATOM 0 HD23 LEU A 106 9.121 2.888 2.452 1.00 18.07 H new ATOM 1651 N ILE A 107 4.496 0.164 0.899 1.00 16.62 N ATOM 1652 CA ILE A 107 3.268 -0.450 0.278 1.00 18.08 C ATOM 1653 C ILE A 107 2.901 -1.885 0.853 1.00 18.58 C ATOM 1654 O ILE A 107 1.720 -2.236 0.898 1.00 18.40 O ATOM 1655 CB ILE A 107 3.344 -0.386 -1.299 1.00 18.97 C ATOM 1656 CG1 ILE A 107 3.513 1.065 -1.855 1.00 16.12 C ATOM 1657 CG2 ILE A 107 2.090 -1.006 -1.978 1.00 18.53 C ATOM 1658 CD1 ILE A 107 3.802 1.202 -3.363 1.00 18.38 C ATOM 0 H ILE A 107 5.253 0.325 0.235 1.00 16.62 H new ATOM 0 HA ILE A 107 2.418 0.162 0.579 1.00 18.08 H new ATOM 0 HB ILE A 107 4.232 -0.968 -1.544 1.00 18.97 H new ATOM 0 HG12 ILE A 107 2.604 1.623 -1.631 1.00 16.12 H new ATOM 0 HG13 ILE A 107 4.324 1.546 -1.309 1.00 16.12 H new ATOM 0 HG21 ILE A 107 2.191 -0.937 -3.061 1.00 18.53 H new ATOM 0 HG22 ILE A 107 1.999 -2.053 -1.688 1.00 18.53 H new ATOM 0 HG23 ILE A 107 1.199 -0.463 -1.662 1.00 18.53 H new ATOM 0 HD11 ILE A 107 3.897 2.257 -3.621 1.00 18.38 H new ATOM 0 HD12 ILE A 107 4.730 0.684 -3.604 1.00 18.38 H new ATOM 0 HD13 ILE A 107 2.983 0.762 -3.932 1.00 18.38 H new ATOM 1670 N SER A 108 3.863 -2.717 1.311 1.00 18.30 N ATOM 1671 CA SER A 108 3.557 -3.899 2.178 1.00 18.18 C ATOM 1672 C SER A 108 2.867 -3.605 3.551 1.00 18.18 C ATOM 1673 O SER A 108 1.931 -4.321 3.903 1.00 18.76 O ATOM 1674 CB SER A 108 4.845 -4.720 2.396 1.00 16.59 C ATOM 1675 OG SER A 108 4.530 -5.995 2.957 1.00 15.67 O ATOM 0 H SER A 108 4.855 -2.601 1.102 1.00 18.30 H new ATOM 0 HA SER A 108 2.804 -4.459 1.624 1.00 18.18 H new ATOM 0 HB2 SER A 108 5.366 -4.851 1.448 1.00 16.59 H new ATOM 0 HB3 SER A 108 5.521 -4.180 3.059 1.00 16.59 H new ATOM 0 HG SER A 108 5.329 -6.373 3.380 1.00 15.67 H new ATOM 1681 N LEU A 109 3.301 -2.589 4.314 1.00 17.73 N ATOM 1682 CA LEU A 109 2.560 -2.100 5.519 1.00 17.67 C ATOM 1683 C LEU A 109 1.128 -1.510 5.245 1.00 18.67 C ATOM 1684 O LEU A 109 0.186 -1.825 5.975 1.00 19.23 O ATOM 1685 CB LEU A 109 3.453 -1.091 6.292 1.00 16.72 C ATOM 1686 CG LEU A 109 4.834 -1.567 6.812 1.00 14.69 C ATOM 1687 CD1 LEU A 109 5.511 -0.415 7.568 1.00 14.94 C ATOM 1688 CD2 LEU A 109 4.733 -2.797 7.728 1.00 16.43 C ATOM 0 H LEU A 109 4.164 -2.079 4.128 1.00 17.73 H new ATOM 0 HA LEU A 109 2.359 -2.982 6.127 1.00 17.67 H new ATOM 0 HB2 LEU A 109 3.622 -0.233 5.641 1.00 16.72 H new ATOM 0 HB3 LEU A 109 2.882 -0.733 7.149 1.00 16.72 H new ATOM 0 HG LEU A 109 5.427 -1.863 5.946 1.00 14.69 H new ATOM 0 HD11 LEU A 109 6.483 -0.743 7.936 1.00 14.94 H new ATOM 0 HD12 LEU A 109 5.645 0.432 6.896 1.00 14.94 H new ATOM 0 HD13 LEU A 109 4.886 -0.115 8.409 1.00 14.94 H new ATOM 0 HD21 LEU A 109 5.730 -3.085 8.061 1.00 16.43 H new ATOM 0 HD22 LEU A 109 4.116 -2.556 8.594 1.00 16.43 H new ATOM 0 HD23 LEU A 109 4.281 -3.623 7.179 1.00 16.43 H new ATOM 1700 N GLN A 110 0.953 -0.724 4.170 1.00 18.63 N ATOM 1701 CA GLN A 110 -0.378 -0.351 3.603 1.00 18.77 C ATOM 1702 C GLN A 110 -1.346 -1.561 3.304 1.00 19.11 C ATOM 1703 O GLN A 110 -2.452 -1.626 3.846 1.00 19.69 O ATOM 1704 CB GLN A 110 -0.015 0.527 2.368 1.00 18.91 C ATOM 1705 CG GLN A 110 -1.156 1.323 1.691 1.00 18.50 C ATOM 1706 CD GLN A 110 -0.695 2.086 0.441 1.00 19.80 C ATOM 1707 OE1 GLN A 110 -0.141 1.526 -0.498 1.00 20.97 O ATOM 1708 NE2 GLN A 110 -0.906 3.375 0.375 1.00 19.76 N ATOM 0 H GLN A 110 1.734 -0.318 3.655 1.00 18.63 H new ATOM 0 HA GLN A 110 -0.989 0.191 4.324 1.00 18.77 H new ATOM 0 HB2 GLN A 110 0.753 1.237 2.675 1.00 18.91 H new ATOM 0 HB3 GLN A 110 0.434 -0.122 1.616 1.00 18.91 H new ATOM 0 HG2 GLN A 110 -1.957 0.637 1.416 1.00 18.50 H new ATOM 0 HG3 GLN A 110 -1.574 2.030 2.408 1.00 18.50 H new ATOM 0 HE21 GLN A 110 -1.366 3.857 1.148 1.00 19.76 H new ATOM 0 HE22 GLN A 110 -0.611 3.899 -0.449 1.00 19.76 H new ATOM 1717 N ALA A 111 -0.904 -2.557 2.514 1.00 17.74 N ATOM 1718 CA ALA A 111 -1.615 -3.857 2.355 1.00 17.41 C ATOM 1719 C ALA A 111 -1.782 -4.774 3.630 1.00 18.76 C ATOM 1720 O ALA A 111 -2.790 -5.476 3.764 1.00 17.75 O ATOM 1721 CB ALA A 111 -0.878 -4.552 1.195 1.00 15.48 C ATOM 0 H ALA A 111 -0.047 -2.492 1.965 1.00 17.74 H new ATOM 0 HA ALA A 111 -2.668 -3.659 2.156 1.00 17.41 H new ATOM 0 HB1 ALA A 111 -1.334 -5.523 1.004 1.00 15.48 H new ATOM 0 HB2 ALA A 111 -0.948 -3.936 0.299 1.00 15.48 H new ATOM 0 HB3 ALA A 111 0.170 -4.689 1.460 1.00 15.48 H new ATOM 1727 N LEU A 112 -0.837 -4.770 4.588 1.00 19.55 N ATOM 1728 CA LEU A 112 -1.033 -5.335 5.960 1.00 18.62 C ATOM 1729 C LEU A 112 -2.182 -4.664 6.805 1.00 18.29 C ATOM 1730 O LEU A 112 -3.031 -5.376 7.349 1.00 18.90 O ATOM 1731 CB LEU A 112 0.359 -5.356 6.656 1.00 18.38 C ATOM 1732 CG LEU A 112 0.517 -6.240 7.921 1.00 18.75 C ATOM 1733 CD1 LEU A 112 0.346 -7.742 7.627 1.00 14.98 C ATOM 1734 CD2 LEU A 112 1.914 -6.027 8.531 1.00 16.50 C ATOM 0 H LEU A 112 0.093 -4.376 4.444 1.00 19.55 H new ATOM 0 HA LEU A 112 -1.415 -6.352 5.874 1.00 18.62 H new ATOM 0 HB2 LEU A 112 1.096 -5.684 5.923 1.00 18.38 H new ATOM 0 HB3 LEU A 112 0.614 -4.332 6.928 1.00 18.38 H new ATOM 0 HG LEU A 112 -0.270 -5.937 8.612 1.00 18.75 H new ATOM 0 HD11 LEU A 112 0.467 -8.309 8.550 1.00 14.98 H new ATOM 0 HD12 LEU A 112 -0.648 -7.922 7.218 1.00 14.98 H new ATOM 0 HD13 LEU A 112 1.098 -8.059 6.904 1.00 14.98 H new ATOM 0 HD21 LEU A 112 2.022 -6.649 9.419 1.00 16.50 H new ATOM 0 HD22 LEU A 112 2.675 -6.302 7.801 1.00 16.50 H new ATOM 0 HD23 LEU A 112 2.035 -4.979 8.805 1.00 16.50 H new ATOM 1746 N LEU A 113 -2.268 -3.323 6.847 1.00 18.11 N ATOM 1747 CA LEU A 113 -3.451 -2.588 7.392 1.00 17.93 C ATOM 1748 C LEU A 113 -4.818 -2.768 6.631 1.00 18.40 C ATOM 1749 O LEU A 113 -5.851 -2.901 7.288 1.00 18.57 O ATOM 1750 CB LEU A 113 -3.077 -1.084 7.545 1.00 15.13 C ATOM 1751 CG LEU A 113 -1.980 -0.679 8.566 1.00 15.14 C ATOM 1752 CD1 LEU A 113 -1.886 0.849 8.664 1.00 14.15 C ATOM 1753 CD2 LEU A 113 -2.234 -1.224 9.976 1.00 14.25 C ATOM 0 H LEU A 113 -1.528 -2.708 6.508 1.00 18.11 H new ATOM 0 HA LEU A 113 -3.661 -3.051 8.356 1.00 17.93 H new ATOM 0 HB2 LEU A 113 -2.764 -0.722 6.566 1.00 15.13 H new ATOM 0 HB3 LEU A 113 -3.987 -0.544 7.809 1.00 15.13 H new ATOM 0 HG LEU A 113 -1.052 -1.113 8.193 1.00 15.14 H new ATOM 0 HD11 LEU A 113 -1.113 1.121 9.383 1.00 14.15 H new ATOM 0 HD12 LEU A 113 -1.634 1.261 7.687 1.00 14.15 H new ATOM 0 HD13 LEU A 113 -2.844 1.252 8.992 1.00 14.15 H new ATOM 0 HD21 LEU A 113 -1.431 -0.904 10.640 1.00 14.25 H new ATOM 0 HD22 LEU A 113 -3.185 -0.843 10.348 1.00 14.25 H new ATOM 0 HD23 LEU A 113 -2.267 -2.313 9.945 1.00 14.25 H new ATOM 1765 N GLN A 114 -4.848 -2.798 5.282 1.00 19.06 N ATOM 1766 CA GLN A 114 -6.108 -2.900 4.471 1.00 20.82 C ATOM 1767 C GLN A 114 -7.161 -4.028 4.801 1.00 21.41 C ATOM 1768 O GLN A 114 -8.350 -3.846 4.531 1.00 21.72 O ATOM 1769 CB GLN A 114 -5.659 -2.955 2.978 1.00 22.94 C ATOM 1770 CG GLN A 114 -6.770 -2.847 1.888 1.00 26.37 C ATOM 1771 CD GLN A 114 -7.434 -1.484 1.676 1.00 30.64 C ATOM 1772 OE1 GLN A 114 -7.160 -0.781 0.709 1.00 34.01 O ATOM 1773 NE2 GLN A 114 -8.340 -1.069 2.525 1.00 32.01 N ATOM 0 H GLN A 114 -4.004 -2.753 4.711 1.00 19.06 H new ATOM 0 HA GLN A 114 -6.698 -2.024 4.738 1.00 20.82 H new ATOM 0 HB2 GLN A 114 -4.945 -2.149 2.812 1.00 22.94 H new ATOM 0 HB3 GLN A 114 -5.124 -3.892 2.822 1.00 22.94 H new ATOM 0 HG2 GLN A 114 -6.338 -3.160 0.938 1.00 26.37 H new ATOM 0 HG3 GLN A 114 -7.552 -3.565 2.135 1.00 26.37 H new ATOM 0 HE21 GLN A 114 -8.580 -1.641 3.335 1.00 32.01 H new ATOM 0 HE22 GLN A 114 -8.806 -0.174 2.377 1.00 32.01 H new ATOM 1782 N SER A 115 -6.753 -5.191 5.329 1.00 20.39 N ATOM 1783 CA SER A 115 -7.702 -6.244 5.801 1.00 20.00 C ATOM 1784 C SER A 115 -7.092 -6.964 7.056 1.00 19.19 C ATOM 1785 O SER A 115 -6.324 -7.911 6.857 1.00 18.82 O ATOM 1786 CB SER A 115 -8.039 -7.196 4.624 1.00 20.80 C ATOM 1787 OG SER A 115 -8.762 -6.511 3.596 1.00 22.18 O ATOM 0 H SER A 115 -5.771 -5.439 5.446 1.00 20.39 H new ATOM 0 HA SER A 115 -8.649 -5.812 6.125 1.00 20.00 H new ATOM 0 HB2 SER A 115 -7.118 -7.609 4.212 1.00 20.80 H new ATOM 0 HB3 SER A 115 -8.629 -8.036 4.990 1.00 20.80 H new ATOM 0 HG SER A 115 -8.797 -5.554 3.803 1.00 22.18 H new ATOM 1793 N PRO A 116 -7.328 -6.556 8.340 1.00 19.30 N ATOM 1794 CA PRO A 116 -6.584 -7.125 9.508 1.00 19.82 C ATOM 1795 C PRO A 116 -6.779 -8.638 9.850 1.00 21.16 C ATOM 1796 O PRO A 116 -7.876 -9.191 9.714 1.00 22.89 O ATOM 1797 CB PRO A 116 -7.022 -6.199 10.659 1.00 18.30 C ATOM 1798 CG PRO A 116 -7.428 -4.893 9.988 1.00 17.18 C ATOM 1799 CD PRO A 116 -8.069 -5.321 8.675 1.00 17.46 C ATOM 0 HA PRO A 116 -5.516 -7.141 9.289 1.00 19.82 H new ATOM 0 HB2 PRO A 116 -7.853 -6.630 11.217 1.00 18.30 H new ATOM 0 HB3 PRO A 116 -6.210 -6.041 11.369 1.00 18.30 H new ATOM 0 HG2 PRO A 116 -8.128 -4.330 10.606 1.00 17.18 H new ATOM 0 HG3 PRO A 116 -6.565 -4.250 9.817 1.00 17.18 H new ATOM 0 HD2 PRO A 116 -9.137 -5.507 8.787 1.00 17.46 H new ATOM 0 HD3 PRO A 116 -7.958 -4.560 7.903 1.00 17.46 H new ATOM 1807 N GLU A 117 -5.697 -9.283 10.313 1.00 21.14 N ATOM 1808 CA GLU A 117 -5.661 -10.747 10.601 1.00 21.54 C ATOM 1809 C GLU A 117 -4.758 -11.062 11.859 1.00 20.34 C ATOM 1810 O GLU A 117 -3.598 -10.626 11.879 1.00 20.70 O ATOM 1811 CB GLU A 117 -5.103 -11.514 9.371 1.00 22.70 C ATOM 1812 CG GLU A 117 -6.073 -11.719 8.175 1.00 27.31 C ATOM 1813 CD GLU A 117 -5.498 -12.551 7.047 1.00 28.34 C ATOM 1814 OE1 GLU A 117 -4.281 -12.435 6.748 1.00 27.50 O ATOM 1815 OE2 GLU A 117 -6.212 -13.397 6.486 1.00 30.68 O ATOM 0 H GLU A 117 -4.812 -8.812 10.503 1.00 21.14 H new ATOM 0 HA GLU A 117 -6.680 -11.070 10.813 1.00 21.54 H new ATOM 0 HB2 GLU A 117 -4.224 -10.981 9.008 1.00 22.70 H new ATOM 0 HB3 GLU A 117 -4.765 -12.495 9.707 1.00 22.70 H new ATOM 0 HG2 GLU A 117 -6.983 -12.197 8.537 1.00 27.31 H new ATOM 0 HG3 GLU A 117 -6.360 -10.743 7.783 1.00 27.31 H new ATOM 1822 N PRO A 118 -5.174 -11.865 12.888 1.00 20.91 N ATOM 1823 CA PRO A 118 -4.298 -12.207 14.051 1.00 21.43 C ATOM 1824 C PRO A 118 -3.354 -13.434 13.781 1.00 22.47 C ATOM 1825 O PRO A 118 -3.588 -14.555 14.241 1.00 22.19 O ATOM 1826 CB PRO A 118 -5.377 -12.421 15.131 1.00 21.41 C ATOM 1827 CG PRO A 118 -6.556 -13.060 14.389 1.00 20.53 C ATOM 1828 CD PRO A 118 -6.537 -12.425 13.000 1.00 21.12 C ATOM 0 HA PRO A 118 -3.555 -11.457 14.321 1.00 21.43 H new ATOM 0 HB2 PRO A 118 -5.014 -13.069 15.929 1.00 21.41 H new ATOM 0 HB3 PRO A 118 -5.666 -11.477 15.593 1.00 21.41 H new ATOM 0 HG2 PRO A 118 -6.446 -14.143 14.330 1.00 20.53 H new ATOM 0 HG3 PRO A 118 -7.498 -12.863 14.901 1.00 20.53 H new ATOM 0 HD2 PRO A 118 -6.732 -13.162 12.221 1.00 21.12 H new ATOM 0 HD3 PRO A 118 -7.297 -11.650 12.904 1.00 21.12 H new ATOM 1836 N ASN A 119 -2.316 -13.215 12.960 1.00 22.68 N ATOM 1837 CA ASN A 119 -1.502 -14.313 12.352 1.00 23.44 C ATOM 1838 C ASN A 119 0.036 -14.164 12.603 1.00 25.56 C ATOM 1839 O ASN A 119 0.619 -15.073 13.200 1.00 25.74 O ATOM 1840 CB ASN A 119 -1.889 -14.448 10.850 1.00 22.36 C ATOM 1841 CG ASN A 119 -3.095 -15.337 10.526 1.00 23.11 C ATOM 1842 OD1 ASN A 119 -2.975 -16.414 9.957 1.00 24.14 O ATOM 1843 ND2 ASN A 119 -4.295 -14.936 10.845 1.00 22.98 N ATOM 0 H ASN A 119 -2.007 -12.281 12.691 1.00 22.68 H new ATOM 0 HA ASN A 119 -1.742 -15.250 12.854 1.00 23.44 H new ATOM 0 HB2 ASN A 119 -2.087 -13.450 10.459 1.00 22.36 H new ATOM 0 HB3 ASN A 119 -1.025 -14.836 10.310 1.00 22.36 H new ATOM 0 HD21 ASN A 119 -5.103 -15.516 10.620 1.00 22.98 H new ATOM 0 HD22 ASN A 119 -4.425 -14.043 11.320 1.00 22.98 H new ATOM 1850 N ASP A 120 0.682 -13.064 12.174 1.00 26.85 N ATOM 1851 CA ASP A 120 2.039 -12.673 12.663 1.00 27.99 C ATOM 1852 C ASP A 120 1.863 -11.696 13.898 1.00 27.27 C ATOM 1853 O ASP A 120 1.467 -10.543 13.681 1.00 26.52 O ATOM 1854 CB ASP A 120 2.861 -12.051 11.498 1.00 31.04 C ATOM 1855 CG ASP A 120 3.271 -13.013 10.386 1.00 33.22 C ATOM 1856 OD1 ASP A 120 3.971 -14.007 10.673 1.00 34.71 O ATOM 1857 OD2 ASP A 120 2.822 -12.829 9.232 1.00 37.09 O ATOM 0 H ASP A 120 0.292 -12.420 11.486 1.00 26.85 H new ATOM 0 HA ASP A 120 2.603 -13.541 13.004 1.00 27.99 H new ATOM 0 HB2 ASP A 120 2.277 -11.244 11.057 1.00 31.04 H new ATOM 0 HB3 ASP A 120 3.762 -11.601 11.914 1.00 31.04 H new ATOM 1862 N PRO A 121 2.052 -12.092 15.194 1.00 26.22 N ATOM 1863 CA PRO A 121 1.620 -11.260 16.356 1.00 26.94 C ATOM 1864 C PRO A 121 2.657 -10.199 16.861 1.00 26.94 C ATOM 1865 O PRO A 121 3.814 -10.519 17.151 1.00 25.30 O ATOM 1866 CB PRO A 121 1.333 -12.358 17.402 1.00 27.40 C ATOM 1867 CG PRO A 121 2.354 -13.461 17.103 1.00 27.93 C ATOM 1868 CD PRO A 121 2.454 -13.460 15.580 1.00 27.23 C ATOM 0 HA PRO A 121 0.780 -10.610 16.113 1.00 26.94 H new ATOM 0 HB2 PRO A 121 1.448 -11.977 18.417 1.00 27.40 H new ATOM 0 HB3 PRO A 121 0.312 -12.730 17.315 1.00 27.40 H new ATOM 0 HG2 PRO A 121 3.317 -13.251 17.567 1.00 27.93 H new ATOM 0 HG3 PRO A 121 2.021 -14.428 17.482 1.00 27.93 H new ATOM 0 HD2 PRO A 121 3.467 -13.687 15.247 1.00 27.23 H new ATOM 0 HD3 PRO A 121 1.797 -14.209 15.137 1.00 27.23 H new ATOM 1876 N GLN A 122 2.203 -8.948 17.035 1.00 27.60 N ATOM 1877 CA GLN A 122 2.986 -7.881 17.721 1.00 28.80 C ATOM 1878 C GLN A 122 2.419 -7.597 19.154 1.00 29.12 C ATOM 1879 O GLN A 122 2.860 -8.236 20.116 1.00 30.18 O ATOM 1880 CB GLN A 122 3.099 -6.688 16.726 1.00 27.10 C ATOM 1881 CG GLN A 122 3.771 -5.389 17.238 1.00 25.17 C ATOM 1882 CD GLN A 122 5.102 -5.524 17.985 1.00 26.21 C ATOM 1883 OE1 GLN A 122 6.125 -5.926 17.443 1.00 24.96 O ATOM 1884 NE2 GLN A 122 5.133 -5.197 19.252 1.00 26.15 N ATOM 0 H GLN A 122 1.288 -8.638 16.709 1.00 27.60 H new ATOM 0 HA GLN A 122 4.010 -8.172 17.953 1.00 28.80 H new ATOM 0 HB2 GLN A 122 3.653 -7.031 15.852 1.00 27.10 H new ATOM 0 HB3 GLN A 122 2.094 -6.436 16.388 1.00 27.10 H new ATOM 0 HG2 GLN A 122 3.932 -4.734 16.382 1.00 25.17 H new ATOM 0 HG3 GLN A 122 3.066 -4.884 17.898 1.00 25.17 H new ATOM 0 HE21 GLN A 122 4.287 -4.861 19.713 1.00 26.15 H new ATOM 0 HE22 GLN A 122 6.003 -5.278 19.778 1.00 26.15 H new ATOM 1893 N ASP A 123 1.455 -6.672 19.317 1.00 29.50 N ATOM 1894 CA ASP A 123 0.881 -6.328 20.647 1.00 29.57 C ATOM 1895 C ASP A 123 -0.218 -7.382 21.036 1.00 29.44 C ATOM 1896 O ASP A 123 -1.332 -7.394 20.501 1.00 29.93 O ATOM 1897 CB ASP A 123 0.368 -4.860 20.625 1.00 31.72 C ATOM 1898 CG ASP A 123 1.401 -3.733 20.729 1.00 35.16 C ATOM 1899 OD1 ASP A 123 2.598 -3.917 20.424 1.00 38.16 O ATOM 1900 OD2 ASP A 123 0.995 -2.608 21.084 1.00 36.48 O ATOM 0 H ASP A 123 1.050 -6.143 18.545 1.00 29.50 H new ATOM 0 HA ASP A 123 1.641 -6.378 21.427 1.00 29.57 H new ATOM 0 HB2 ASP A 123 -0.191 -4.716 19.700 1.00 31.72 H new ATOM 0 HB3 ASP A 123 -0.339 -4.741 21.446 1.00 31.72 H new ATOM 1905 N ALA A 124 0.135 -8.304 21.949 1.00 28.98 N ATOM 1906 CA ALA A 124 -0.688 -9.511 22.252 1.00 27.34 C ATOM 1907 C ALA A 124 -2.169 -9.313 22.732 1.00 26.89 C ATOM 1908 O ALA A 124 -3.058 -10.010 22.234 1.00 25.03 O ATOM 1909 CB ALA A 124 0.150 -10.355 23.233 1.00 28.09 C ATOM 0 H ALA A 124 0.991 -8.244 22.500 1.00 28.98 H new ATOM 0 HA ALA A 124 -0.883 -10.009 21.302 1.00 27.34 H new ATOM 0 HB1 ALA A 124 -0.399 -11.259 23.496 1.00 28.09 H new ATOM 0 HB2 ALA A 124 1.095 -10.628 22.763 1.00 28.09 H new ATOM 0 HB3 ALA A 124 0.348 -9.775 24.134 1.00 28.09 H new ATOM 1915 N GLU A 125 -2.441 -8.353 23.633 1.00 25.93 N ATOM 1916 CA GLU A 125 -3.837 -7.920 23.957 1.00 26.26 C ATOM 1917 C GLU A 125 -4.656 -7.235 22.799 1.00 24.51 C ATOM 1918 O GLU A 125 -5.880 -7.375 22.757 1.00 24.64 O ATOM 1919 CB GLU A 125 -3.815 -7.074 25.263 1.00 29.83 C ATOM 1920 CG GLU A 125 -3.726 -7.897 26.582 1.00 35.65 C ATOM 1921 CD GLU A 125 -4.977 -8.686 26.936 1.00 39.11 C ATOM 1922 OE1 GLU A 125 -5.103 -9.850 26.503 1.00 41.01 O ATOM 1923 OE2 GLU A 125 -5.858 -8.133 27.624 1.00 40.43 O ATOM 0 H GLU A 125 -1.722 -7.854 24.157 1.00 25.93 H new ATOM 0 HA GLU A 125 -4.405 -8.838 24.107 1.00 26.26 H new ATOM 0 HB2 GLU A 125 -2.966 -6.391 25.221 1.00 29.83 H new ATOM 0 HB3 GLU A 125 -4.716 -6.461 25.296 1.00 29.83 H new ATOM 0 HG2 GLU A 125 -2.888 -8.590 26.504 1.00 35.65 H new ATOM 0 HG3 GLU A 125 -3.501 -7.216 27.403 1.00 35.65 H new ATOM 1930 N VAL A 126 -4.020 -6.557 21.825 1.00 22.76 N ATOM 1931 CA VAL A 126 -4.687 -6.127 20.549 1.00 20.74 C ATOM 1932 C VAL A 126 -5.076 -7.330 19.602 1.00 21.35 C ATOM 1933 O VAL A 126 -6.170 -7.326 19.025 1.00 22.27 O ATOM 1934 CB VAL A 126 -3.847 -5.020 19.816 1.00 18.90 C ATOM 1935 CG1 VAL A 126 -4.570 -4.423 18.585 1.00 17.94 C ATOM 1936 CG2 VAL A 126 -3.466 -3.809 20.700 1.00 16.24 C ATOM 0 H VAL A 126 -3.038 -6.287 21.884 1.00 22.76 H new ATOM 0 HA VAL A 126 -5.640 -5.680 20.831 1.00 20.74 H new ATOM 0 HB VAL A 126 -2.951 -5.570 19.528 1.00 18.90 H new ATOM 0 HG11 VAL A 126 -3.937 -3.665 18.124 1.00 17.94 H new ATOM 0 HG12 VAL A 126 -4.773 -5.214 17.863 1.00 17.94 H new ATOM 0 HG13 VAL A 126 -5.510 -3.969 18.900 1.00 17.94 H new ATOM 0 HG21 VAL A 126 -2.888 -3.096 20.111 1.00 16.24 H new ATOM 0 HG22 VAL A 126 -4.372 -3.327 21.066 1.00 16.24 H new ATOM 0 HG23 VAL A 126 -2.869 -4.150 21.546 1.00 16.24 H new ATOM 1946 N ALA A 127 -4.220 -8.360 19.446 1.00 21.15 N ATOM 1947 CA ALA A 127 -4.621 -9.670 18.861 1.00 21.82 C ATOM 1948 C ALA A 127 -5.768 -10.454 19.603 1.00 21.73 C ATOM 1949 O ALA A 127 -6.730 -10.861 18.946 1.00 22.48 O ATOM 1950 CB ALA A 127 -3.321 -10.482 18.698 1.00 19.47 C ATOM 0 H ALA A 127 -3.238 -8.316 19.717 1.00 21.15 H new ATOM 0 HA ALA A 127 -5.107 -9.486 17.903 1.00 21.82 H new ATOM 0 HB1 ALA A 127 -3.553 -11.458 18.271 1.00 19.47 H new ATOM 0 HB2 ALA A 127 -2.639 -9.948 18.036 1.00 19.47 H new ATOM 0 HB3 ALA A 127 -2.850 -10.615 19.672 1.00 19.47 H new ATOM 1956 N GLN A 128 -5.720 -10.603 20.945 1.00 21.98 N ATOM 1957 CA GLN A 128 -6.901 -11.009 21.778 1.00 21.56 C ATOM 1958 C GLN A 128 -8.200 -10.151 21.574 1.00 21.53 C ATOM 1959 O GLN A 128 -9.268 -10.714 21.316 1.00 21.24 O ATOM 1960 CB GLN A 128 -6.417 -11.065 23.257 1.00 22.11 C ATOM 1961 CG GLN A 128 -7.418 -11.579 24.336 1.00 22.86 C ATOM 1962 CD GLN A 128 -8.406 -10.551 24.910 1.00 23.44 C ATOM 1963 OE1 GLN A 128 -9.571 -10.463 24.528 1.00 24.35 O ATOM 1964 NE2 GLN A 128 -7.989 -9.750 25.855 1.00 23.02 N ATOM 0 H GLN A 128 -4.872 -10.449 21.490 1.00 21.98 H new ATOM 0 HA GLN A 128 -7.240 -11.990 21.445 1.00 21.56 H new ATOM 0 HB2 GLN A 128 -5.531 -11.699 23.295 1.00 22.11 H new ATOM 0 HB3 GLN A 128 -6.103 -10.061 23.544 1.00 22.11 H new ATOM 0 HG2 GLN A 128 -7.993 -12.398 23.904 1.00 22.86 H new ATOM 0 HG3 GLN A 128 -6.842 -11.995 25.163 1.00 22.86 H new ATOM 0 HE21 GLN A 128 -7.026 -9.808 26.185 1.00 23.02 H new ATOM 0 HE22 GLN A 128 -8.627 -9.067 26.263 1.00 23.02 H new ATOM 1973 N HIS A 129 -8.102 -8.809 21.623 1.00 20.88 N ATOM 1974 CA HIS A 129 -9.196 -7.883 21.227 1.00 20.66 C ATOM 1975 C HIS A 129 -9.788 -8.145 19.800 1.00 20.39 C ATOM 1976 O HIS A 129 -10.989 -8.367 19.707 1.00 19.69 O ATOM 1977 CB HIS A 129 -8.670 -6.437 21.451 1.00 21.44 C ATOM 1978 CG HIS A 129 -9.684 -5.298 21.367 1.00 20.34 C ATOM 1979 ND1 HIS A 129 -9.932 -4.429 22.420 1.00 20.61 N ATOM 1980 CD2 HIS A 129 -10.404 -4.905 20.229 1.00 20.49 C ATOM 1981 CE1 HIS A 129 -10.797 -3.561 21.799 1.00 20.17 C ATOM 1982 NE2 HIS A 129 -11.133 -3.767 20.497 1.00 21.40 N ATOM 0 H HIS A 129 -7.260 -8.328 21.939 1.00 20.88 H new ATOM 0 HA HIS A 129 -10.070 -8.059 21.855 1.00 20.66 H new ATOM 0 HB2 HIS A 129 -8.201 -6.398 22.434 1.00 21.44 H new ATOM 0 HB3 HIS A 129 -7.888 -6.246 20.717 1.00 21.44 H new ATOM 0 HD1 HIS A 129 -9.576 -4.433 23.376 1.00 20.61 H new ATOM 0 HD2 HIS A 129 -10.389 -5.420 19.280 1.00 20.49 H new ATOM 0 HE1 HIS A 129 -11.207 -2.721 22.340 1.00 20.17 H new ATOM 1990 N TYR A 130 -9.003 -8.158 18.708 1.00 20.65 N ATOM 1991 CA TYR A 130 -9.520 -8.516 17.351 1.00 21.43 C ATOM 1992 C TYR A 130 -10.127 -9.961 17.164 1.00 22.75 C ATOM 1993 O TYR A 130 -11.108 -10.105 16.429 1.00 23.10 O ATOM 1994 CB TYR A 130 -8.395 -8.170 16.339 1.00 19.34 C ATOM 1995 CG TYR A 130 -8.838 -8.180 14.867 1.00 19.43 C ATOM 1996 CD1 TYR A 130 -9.619 -7.139 14.358 1.00 17.89 C ATOM 1997 CD2 TYR A 130 -8.501 -9.252 14.037 1.00 17.44 C ATOM 1998 CE1 TYR A 130 -10.046 -7.161 13.033 1.00 17.26 C ATOM 1999 CE2 TYR A 130 -8.940 -9.279 12.715 1.00 17.82 C ATOM 2000 CZ TYR A 130 -9.713 -8.237 12.216 1.00 16.79 C ATOM 2001 OH TYR A 130 -10.096 -8.247 10.901 1.00 19.01 O ATOM 0 H TYR A 130 -8.010 -7.927 18.726 1.00 20.65 H new ATOM 0 HA TYR A 130 -10.417 -7.923 17.172 1.00 21.43 H new ATOM 0 HB2 TYR A 130 -7.998 -7.184 16.579 1.00 19.34 H new ATOM 0 HB3 TYR A 130 -7.579 -8.881 16.465 1.00 19.34 H new ATOM 0 HD1 TYR A 130 -9.893 -6.312 14.996 1.00 17.89 H new ATOM 0 HD2 TYR A 130 -7.899 -10.062 14.421 1.00 17.44 H new ATOM 0 HE1 TYR A 130 -10.634 -6.345 12.640 1.00 17.26 H new ATOM 0 HE2 TYR A 130 -8.679 -10.111 12.077 1.00 17.82 H new ATOM 0 HH TYR A 130 -9.309 -8.375 10.332 1.00 19.01 H new ATOM 2011 N LEU A 131 -9.598 -11.008 17.823 1.00 23.91 N ATOM 2012 CA LEU A 131 -10.321 -12.310 18.002 1.00 25.39 C ATOM 2013 C LEU A 131 -11.715 -12.227 18.732 1.00 26.14 C ATOM 2014 O LEU A 131 -12.692 -12.812 18.262 1.00 26.87 O ATOM 2015 CB LEU A 131 -9.361 -13.305 18.725 1.00 24.99 C ATOM 2016 CG LEU A 131 -8.145 -13.836 17.920 1.00 24.70 C ATOM 2017 CD1 LEU A 131 -7.119 -14.484 18.863 1.00 25.13 C ATOM 2018 CD2 LEU A 131 -8.567 -14.868 16.859 1.00 23.89 C ATOM 0 H LEU A 131 -8.670 -10.991 18.247 1.00 23.91 H new ATOM 0 HA LEU A 131 -10.584 -12.660 17.004 1.00 25.39 H new ATOM 0 HB2 LEU A 131 -8.983 -12.816 19.623 1.00 24.99 H new ATOM 0 HB3 LEU A 131 -9.949 -14.163 19.052 1.00 24.99 H new ATOM 0 HG LEU A 131 -7.699 -12.979 17.414 1.00 24.70 H new ATOM 0 HD11 LEU A 131 -6.273 -14.851 18.283 1.00 25.13 H new ATOM 0 HD12 LEU A 131 -6.771 -13.745 19.585 1.00 25.13 H new ATOM 0 HD13 LEU A 131 -7.585 -15.316 19.391 1.00 25.13 H new ATOM 0 HD21 LEU A 131 -7.686 -15.214 16.318 1.00 23.89 H new ATOM 0 HD22 LEU A 131 -9.050 -15.715 17.347 1.00 23.89 H new ATOM 0 HD23 LEU A 131 -9.264 -14.407 16.160 1.00 23.89 H new ATOM 2030 N ARG A 132 -11.807 -11.498 19.856 1.00 27.19 N ATOM 2031 CA ARG A 132 -13.093 -11.186 20.548 1.00 27.64 C ATOM 2032 C ARG A 132 -14.114 -10.230 19.809 1.00 27.72 C ATOM 2033 O ARG A 132 -15.322 -10.370 20.011 1.00 28.88 O ATOM 2034 CB ARG A 132 -12.642 -10.602 21.925 1.00 28.82 C ATOM 2035 CG ARG A 132 -13.767 -10.339 22.963 1.00 31.27 C ATOM 2036 CD ARG A 132 -13.380 -9.411 24.143 1.00 32.97 C ATOM 2037 NE ARG A 132 -12.866 -8.052 23.778 1.00 35.97 N ATOM 2038 CZ ARG A 132 -13.532 -7.100 23.124 1.00 36.70 C ATOM 2039 NH1 ARG A 132 -14.760 -7.201 22.711 1.00 36.65 N ATOM 2040 NH2 ARG A 132 -12.926 -6.000 22.841 1.00 38.20 N ATOM 0 H ARG A 132 -10.992 -11.100 20.323 1.00 27.19 H new ATOM 0 HA ARG A 132 -13.690 -12.096 20.606 1.00 27.64 H new ATOM 0 HB2 ARG A 132 -11.921 -11.289 22.368 1.00 28.82 H new ATOM 0 HB3 ARG A 132 -12.118 -9.664 21.743 1.00 28.82 H new ATOM 0 HG2 ARG A 132 -14.621 -9.903 22.445 1.00 31.27 H new ATOM 0 HG3 ARG A 132 -14.095 -11.296 23.368 1.00 31.27 H new ATOM 0 HD2 ARG A 132 -14.255 -9.286 24.781 1.00 32.97 H new ATOM 0 HD3 ARG A 132 -12.620 -9.915 24.740 1.00 32.97 H new ATOM 0 HE ARG A 132 -11.910 -7.833 24.058 1.00 35.97 H new ATOM 0 HH11 ARG A 132 -15.287 -8.058 22.881 1.00 36.65 H new ATOM 0 HH12 ARG A 132 -15.197 -6.423 22.216 1.00 36.65 H new ATOM 0 HH21 ARG A 132 -11.953 -5.868 23.117 1.00 38.20 H new ATOM 0 HH22 ARG A 132 -13.419 -5.260 22.341 1.00 38.20 H new ATOM 2054 N ASP A 133 -13.646 -9.213 19.069 1.00 27.05 N ATOM 2055 CA ASP A 133 -14.417 -7.968 18.790 1.00 25.74 C ATOM 2056 C ASP A 133 -14.693 -7.730 17.268 1.00 23.87 C ATOM 2057 O ASP A 133 -13.843 -8.001 16.407 1.00 24.06 O ATOM 2058 CB ASP A 133 -13.527 -6.831 19.366 1.00 25.59 C ATOM 2059 CG ASP A 133 -14.206 -5.495 19.572 1.00 27.37 C ATOM 2060 OD1 ASP A 133 -14.372 -4.762 18.586 1.00 28.37 O ATOM 2061 OD2 ASP A 133 -14.546 -5.160 20.724 1.00 29.82 O ATOM 0 H ASP A 133 -12.720 -9.220 18.641 1.00 27.05 H new ATOM 0 HA ASP A 133 -15.408 -8.020 19.240 1.00 25.74 H new ATOM 0 HB2 ASP A 133 -13.124 -7.162 20.323 1.00 25.59 H new ATOM 0 HB3 ASP A 133 -12.680 -6.686 18.696 1.00 25.59 H new ATOM 2066 N ARG A 134 -15.841 -7.105 16.948 1.00 22.44 N ATOM 2067 CA ARG A 134 -15.956 -6.238 15.731 1.00 22.98 C ATOM 2068 C ARG A 134 -16.834 -4.944 15.921 1.00 22.94 C ATOM 2069 O ARG A 134 -17.589 -4.553 15.025 1.00 22.52 O ATOM 2070 CB ARG A 134 -16.371 -7.135 14.519 1.00 22.58 C ATOM 2071 CG ARG A 134 -15.814 -6.716 13.126 1.00 22.25 C ATOM 2072 CD ARG A 134 -14.275 -6.561 12.975 1.00 21.03 C ATOM 2073 NE ARG A 134 -13.515 -7.638 13.677 1.00 25.13 N ATOM 2074 CZ ARG A 134 -13.130 -8.796 13.177 1.00 24.07 C ATOM 2075 NH1 ARG A 134 -13.126 -9.070 11.907 1.00 24.16 N ATOM 2076 NH2 ARG A 134 -12.717 -9.695 14.009 1.00 23.83 N ATOM 0 H ARG A 134 -16.698 -7.174 17.497 1.00 22.44 H new ATOM 0 HA ARG A 134 -14.978 -5.804 15.524 1.00 22.98 H new ATOM 0 HB2 ARG A 134 -16.049 -8.156 14.723 1.00 22.58 H new ATOM 0 HB3 ARG A 134 -17.459 -7.150 14.462 1.00 22.58 H new ATOM 0 HG2 ARG A 134 -16.149 -7.453 12.396 1.00 22.25 H new ATOM 0 HG3 ARG A 134 -16.274 -5.766 12.854 1.00 22.25 H new ATOM 0 HD2 ARG A 134 -14.015 -6.570 11.916 1.00 21.03 H new ATOM 0 HD3 ARG A 134 -13.971 -5.591 13.370 1.00 21.03 H new ATOM 0 HE ARG A 134 -13.266 -7.458 14.650 1.00 25.13 H new ATOM 0 HH11 ARG A 134 -13.433 -8.369 11.233 1.00 24.16 H new ATOM 0 HH12 ARG A 134 -12.816 -9.986 11.584 1.00 24.16 H new ATOM 0 HH21 ARG A 134 -12.698 -9.494 15.009 1.00 23.83 H new ATOM 0 HH22 ARG A 134 -12.410 -10.605 13.666 1.00 23.83 H new ATOM 2090 N GLU A 135 -16.681 -4.238 17.056 1.00 0.00 N ATOM 2091 CA GLU A 135 -17.427 -2.987 17.381 1.00 0.00 C ATOM 2092 C GLU A 135 -16.508 -1.935 18.096 1.00 0.00 C ATOM 2093 O GLU A 135 -16.279 -0.858 17.540 1.00 0.00 O ATOM 2094 CB GLU A 135 -18.808 -3.306 18.035 1.00 0.00 C ATOM 2095 CG GLU A 135 -18.876 -3.907 19.472 1.00 0.00 C ATOM 2096 CD GLU A 135 -18.886 -2.907 20.608 1.00 0.00 C ATOM 2097 OE1 GLU A 135 -19.788 -2.045 20.655 1.00 0.00 O ATOM 2098 OE2 GLU A 135 -17.945 -2.896 21.422 1.00 0.00 O ATOM 0 H GLU A 135 -16.029 -4.516 17.790 1.00 0.00 H new ATOM 0 HA GLU A 135 -17.707 -2.468 16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -19.382 -2.380 18.045 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -19.328 -3.997 17.371 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -19.774 -4.520 19.546 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -18.023 -4.572 19.607 1.00 0.00 H new ATOM 2105 N SER A 136 -15.922 -2.220 19.276 1.00 22.01 N ATOM 2106 CA SER A 136 -14.838 -1.389 19.882 1.00 22.32 C ATOM 2107 C SER A 136 -13.458 -1.333 19.146 1.00 23.26 C ATOM 2108 O SER A 136 -12.748 -0.343 19.316 1.00 23.38 O ATOM 2109 CB SER A 136 -14.648 -1.784 21.361 1.00 23.02 C ATOM 2110 OG SER A 136 -13.849 -0.809 22.040 1.00 25.00 O ATOM 0 H SER A 136 -16.179 -3.029 19.842 1.00 22.01 H new ATOM 0 HA SER A 136 -15.205 -0.369 19.773 1.00 22.32 H new ATOM 0 HB2 SER A 136 -15.619 -1.871 21.848 1.00 23.02 H new ATOM 0 HB3 SER A 136 -14.171 -2.762 21.424 1.00 23.02 H new ATOM 0 HG SER A 136 -13.738 -1.072 22.977 1.00 25.00 H new ATOM 2116 N PHE A 137 -13.063 -2.328 18.337 1.00 21.10 N ATOM 2117 CA PHE A 137 -11.982 -2.173 17.319 1.00 20.62 C ATOM 2118 C PHE A 137 -12.301 -1.118 16.199 1.00 20.06 C ATOM 2119 O PHE A 137 -11.450 -0.284 15.893 1.00 21.12 O ATOM 2120 CB PHE A 137 -11.664 -3.589 16.756 1.00 19.79 C ATOM 2121 CG PHE A 137 -10.341 -3.680 15.976 1.00 18.95 C ATOM 2122 CD1 PHE A 137 -10.314 -3.431 14.598 1.00 18.90 C ATOM 2123 CD2 PHE A 137 -9.150 -3.997 16.637 1.00 18.82 C ATOM 2124 CE1 PHE A 137 -9.114 -3.504 13.895 1.00 16.69 C ATOM 2125 CE2 PHE A 137 -7.952 -4.072 15.933 1.00 16.70 C ATOM 2126 CZ PHE A 137 -7.938 -3.836 14.562 1.00 16.18 C ATOM 0 H PHE A 137 -13.473 -3.262 18.360 1.00 21.10 H new ATOM 0 HA PHE A 137 -11.098 -1.754 17.799 1.00 20.62 H new ATOM 0 HB2 PHE A 137 -11.633 -4.297 17.584 1.00 19.79 H new ATOM 0 HB3 PHE A 137 -12.479 -3.898 16.102 1.00 19.79 H new ATOM 0 HD1 PHE A 137 -11.227 -3.181 14.079 1.00 18.90 H new ATOM 0 HD2 PHE A 137 -9.160 -4.185 17.701 1.00 18.82 H new ATOM 0 HE1 PHE A 137 -9.096 -3.303 12.834 1.00 16.69 H new ATOM 0 HE2 PHE A 137 -7.035 -4.313 16.450 1.00 16.70 H new ATOM 0 HZ PHE A 137 -7.011 -3.911 14.013 1.00 16.18 H new ATOM 2136 N ASN A 138 -13.521 -1.118 15.630 1.00 20.54 N ATOM 2137 CA ASN A 138 -14.017 0.013 14.786 1.00 19.86 C ATOM 2138 C ASN A 138 -14.186 1.399 15.523 1.00 21.02 C ATOM 2139 O ASN A 138 -13.939 2.431 14.900 1.00 20.61 O ATOM 2140 CB ASN A 138 -15.315 -0.436 14.060 1.00 19.70 C ATOM 2141 CG ASN A 138 -15.147 -1.546 13.012 1.00 20.09 C ATOM 2142 OD1 ASN A 138 -14.475 -1.401 11.998 1.00 21.65 O ATOM 2143 ND2 ASN A 138 -15.766 -2.683 13.193 1.00 19.29 N ATOM 0 H ASN A 138 -14.189 -1.882 15.732 1.00 20.54 H new ATOM 0 HA ASN A 138 -13.232 0.228 14.061 1.00 19.86 H new ATOM 0 HB2 ASN A 138 -16.029 -0.776 14.810 1.00 19.70 H new ATOM 0 HB3 ASN A 138 -15.755 0.434 13.572 1.00 19.70 H new ATOM 0 HD21 ASN A 138 -15.683 -3.425 12.498 1.00 19.29 H new ATOM 0 HD22 ASN A 138 -16.332 -2.828 14.029 1.00 19.29 H new ATOM 2150 N LYS A 139 -14.536 1.453 16.829 1.00 22.23 N ATOM 2151 CA LYS A 139 -14.344 2.679 17.668 1.00 22.44 C ATOM 2152 C LYS A 139 -12.842 3.121 17.842 1.00 21.21 C ATOM 2153 O LYS A 139 -12.525 4.281 17.571 1.00 21.13 O ATOM 2154 CB LYS A 139 -15.012 2.547 19.073 1.00 24.35 C ATOM 2155 CG LYS A 139 -16.529 2.242 19.154 1.00 26.69 C ATOM 2156 CD LYS A 139 -17.040 2.235 20.621 1.00 28.04 C ATOM 2157 CE LYS A 139 -18.347 1.448 20.864 1.00 31.57 C ATOM 2158 NZ LYS A 139 -18.033 -0.010 20.895 1.00 35.24 N ATOM 0 H LYS A 139 -14.952 0.669 17.332 1.00 22.23 H new ATOM 0 HA LYS A 139 -14.845 3.463 17.101 1.00 22.44 H new ATOM 0 HB2 LYS A 139 -14.488 1.760 19.615 1.00 24.35 H new ATOM 0 HB3 LYS A 139 -14.833 3.478 19.612 1.00 24.35 H new ATOM 0 HG2 LYS A 139 -17.080 2.987 18.581 1.00 26.69 H new ATOM 0 HG3 LYS A 139 -16.730 1.274 18.695 1.00 26.69 H new ATOM 0 HD2 LYS A 139 -16.260 1.816 21.257 1.00 28.04 H new ATOM 0 HD3 LYS A 139 -17.192 3.266 20.940 1.00 28.04 H new ATOM 0 HE2 LYS A 139 -18.803 1.756 21.805 1.00 31.57 H new ATOM 0 HE3 LYS A 139 -19.068 1.662 20.075 1.00 31.57 H new ATOM 0 HZ1 LYS A 139 -18.913 -0.552 21.007 1.00 35.24 H new ATOM 0 HZ2 LYS A 139 -17.568 -0.284 20.006 1.00 35.24 H new ATOM 0 HZ3 LYS A 139 -17.398 -0.211 21.694 1.00 35.24 H new ATOM 2172 N THR A 140 -11.931 2.245 18.306 1.00 19.48 N ATOM 2173 CA THR A 140 -10.517 2.615 18.630 1.00 18.85 C ATOM 2174 C THR A 140 -9.601 2.831 17.376 1.00 17.94 C ATOM 2175 O THR A 140 -8.973 3.886 17.275 1.00 18.61 O ATOM 2176 CB THR A 140 -9.926 1.594 19.657 1.00 18.46 C ATOM 2177 OG1 THR A 140 -10.756 1.465 20.806 1.00 22.65 O ATOM 2178 CG2 THR A 140 -8.558 1.986 20.235 1.00 16.95 C ATOM 0 H THR A 140 -12.142 1.261 18.471 1.00 19.48 H new ATOM 0 HA THR A 140 -10.540 3.601 19.095 1.00 18.85 H new ATOM 0 HB THR A 140 -9.847 0.680 19.068 1.00 18.46 H new ATOM 0 HG1 THR A 140 -11.525 0.897 20.592 1.00 22.65 H new ATOM 0 HG21 THR A 140 -8.227 1.221 20.937 1.00 16.95 H new ATOM 0 HG22 THR A 140 -7.833 2.075 19.426 1.00 16.95 H new ATOM 0 HG23 THR A 140 -8.642 2.941 20.753 1.00 16.95 H new ATOM 2186 N ALA A 141 -9.505 1.876 16.429 1.00 17.07 N ATOM 2187 CA ALA A 141 -8.706 2.048 15.182 1.00 16.72 C ATOM 2188 C ALA A 141 -9.106 3.223 14.220 1.00 16.27 C ATOM 2189 O ALA A 141 -8.215 3.913 13.721 1.00 16.48 O ATOM 2190 CB ALA A 141 -8.682 0.676 14.481 1.00 14.26 C ATOM 0 H ALA A 141 -9.970 0.971 16.498 1.00 17.07 H new ATOM 0 HA ALA A 141 -7.711 2.379 15.479 1.00 16.72 H new ATOM 0 HB1 ALA A 141 -8.106 0.749 13.558 1.00 14.26 H new ATOM 0 HB2 ALA A 141 -8.221 -0.061 15.139 1.00 14.26 H new ATOM 0 HB3 ALA A 141 -9.702 0.368 14.249 1.00 14.26 H new ATOM 2196 N ALA A 142 -10.407 3.493 13.992 1.00 15.69 N ATOM 2197 CA ALA A 142 -10.856 4.721 13.274 1.00 17.55 C ATOM 2198 C ALA A 142 -10.579 6.094 13.988 1.00 18.68 C ATOM 2199 O ALA A 142 -10.127 7.035 13.330 1.00 19.78 O ATOM 2200 CB ALA A 142 -12.343 4.517 12.932 1.00 15.56 C ATOM 0 H ALA A 142 -11.169 2.884 14.290 1.00 15.69 H new ATOM 0 HA ALA A 142 -10.243 4.824 12.379 1.00 17.55 H new ATOM 0 HB1 ALA A 142 -12.718 5.393 12.403 1.00 15.56 H new ATOM 0 HB2 ALA A 142 -12.453 3.637 12.299 1.00 15.56 H new ATOM 0 HB3 ALA A 142 -12.912 4.377 13.851 1.00 15.56 H new ATOM 2206 N LEU A 143 -10.800 6.207 15.313 1.00 19.83 N ATOM 2207 CA LEU A 143 -10.288 7.346 16.137 1.00 19.93 C ATOM 2208 C LEU A 143 -8.727 7.541 16.121 1.00 19.47 C ATOM 2209 O LEU A 143 -8.254 8.644 15.840 1.00 20.76 O ATOM 2210 CB LEU A 143 -10.884 7.165 17.564 1.00 19.86 C ATOM 2211 CG LEU A 143 -10.589 8.276 18.608 1.00 20.00 C ATOM 2212 CD1 LEU A 143 -11.213 9.629 18.227 1.00 21.74 C ATOM 2213 CD2 LEU A 143 -11.113 7.851 19.988 1.00 19.89 C ATOM 0 H LEU A 143 -11.333 5.522 15.849 1.00 19.83 H new ATOM 0 HA LEU A 143 -10.621 8.285 15.694 1.00 19.93 H new ATOM 0 HB2 LEU A 143 -11.966 7.072 17.468 1.00 19.86 H new ATOM 0 HB3 LEU A 143 -10.517 6.220 17.965 1.00 19.86 H new ATOM 0 HG LEU A 143 -9.507 8.406 18.633 1.00 20.00 H new ATOM 0 HD11 LEU A 143 -10.975 10.368 18.992 1.00 21.74 H new ATOM 0 HD12 LEU A 143 -10.812 9.957 17.268 1.00 21.74 H new ATOM 0 HD13 LEU A 143 -12.295 9.522 18.150 1.00 21.74 H new ATOM 0 HD21 LEU A 143 -10.902 8.636 20.715 1.00 19.89 H new ATOM 0 HD22 LEU A 143 -12.189 7.686 19.934 1.00 19.89 H new ATOM 0 HD23 LEU A 143 -10.620 6.929 20.296 1.00 19.89 H new ATOM 2225 N TRP A 144 -7.938 6.480 16.368 1.00 17.98 N ATOM 2226 CA TRP A 144 -6.449 6.503 16.243 1.00 17.55 C ATOM 2227 C TRP A 144 -5.887 6.889 14.827 1.00 18.85 C ATOM 2228 O TRP A 144 -4.956 7.688 14.749 1.00 19.53 O ATOM 2229 CB TRP A 144 -5.901 5.133 16.739 1.00 16.10 C ATOM 2230 CG TRP A 144 -5.863 4.885 18.264 1.00 18.76 C ATOM 2231 CD1 TRP A 144 -6.817 5.271 19.239 1.00 18.15 C ATOM 2232 CD2 TRP A 144 -4.865 4.244 18.978 1.00 18.42 C ATOM 2233 NE1 TRP A 144 -6.428 4.896 20.540 1.00 19.90 N ATOM 2234 CE2 TRP A 144 -5.215 4.263 20.353 1.00 18.08 C ATOM 2235 CE3 TRP A 144 -3.631 3.684 18.564 1.00 18.08 C ATOM 2236 CZ2 TRP A 144 -4.332 3.728 21.318 1.00 17.03 C ATOM 2237 CZ3 TRP A 144 -2.776 3.166 19.534 1.00 18.99 C ATOM 2238 CH2 TRP A 144 -3.119 3.185 20.891 1.00 18.82 C ATOM 0 H TRP A 144 -8.305 5.575 16.661 1.00 17.98 H new ATOM 0 HA TRP A 144 -6.089 7.319 16.869 1.00 17.55 H new ATOM 0 HB2 TRP A 144 -6.504 4.346 16.286 1.00 16.10 H new ATOM 0 HB3 TRP A 144 -4.887 5.018 16.355 1.00 16.10 H new ATOM 0 HD1 TRP A 144 -7.735 5.792 19.011 1.00 18.15 H new ATOM 0 HE1 TRP A 144 -6.926 5.055 21.416 1.00 19.90 H new ATOM 0 HE3 TRP A 144 -3.359 3.659 17.519 1.00 18.08 H new ATOM 0 HZ2 TRP A 144 -4.591 3.739 22.366 1.00 17.03 H new ATOM 0 HZ3 TRP A 144 -1.830 2.741 19.233 1.00 18.99 H new ATOM 0 HH2 TRP A 144 -2.435 2.773 21.618 1.00 18.82 H new ATOM 2249 N THR A 145 -6.467 6.399 13.718 1.00 20.22 N ATOM 2250 CA THR A 145 -6.201 6.932 12.342 1.00 21.04 C ATOM 2251 C THR A 145 -6.538 8.455 12.139 1.00 21.80 C ATOM 2252 O THR A 145 -5.728 9.187 11.573 1.00 22.33 O ATOM 2253 CB THR A 145 -6.961 6.035 11.319 1.00 20.85 C ATOM 2254 OG1 THR A 145 -6.556 4.676 11.445 1.00 21.12 O ATOM 2255 CG2 THR A 145 -6.750 6.393 9.840 1.00 22.17 C ATOM 0 H THR A 145 -7.132 5.626 13.734 1.00 20.22 H new ATOM 0 HA THR A 145 -5.124 6.886 12.180 1.00 21.04 H new ATOM 0 HB THR A 145 -8.008 6.203 11.570 1.00 20.85 H new ATOM 0 HG1 THR A 145 -7.348 4.105 11.530 1.00 21.12 H new ATOM 0 HG21 THR A 145 -7.323 5.708 9.215 1.00 22.17 H new ATOM 0 HG22 THR A 145 -7.086 7.414 9.661 1.00 22.17 H new ATOM 0 HG23 THR A 145 -5.692 6.311 9.593 1.00 22.17 H new ATOM 2263 N ARG A 146 -7.720 8.937 12.561 1.00 23.37 N ATOM 2264 CA ARG A 146 -8.062 10.395 12.523 1.00 24.27 C ATOM 2265 C ARG A 146 -7.206 11.346 13.448 1.00 22.42 C ATOM 2266 O ARG A 146 -7.046 12.517 13.100 1.00 23.33 O ATOM 2267 CB ARG A 146 -9.601 10.539 12.746 1.00 27.29 C ATOM 2268 CG ARG A 146 -10.539 9.881 11.688 1.00 32.72 C ATOM 2269 CD ARG A 146 -10.708 10.666 10.364 1.00 37.69 C ATOM 2270 NE ARG A 146 -11.025 9.754 9.215 1.00 43.09 N ATOM 2271 CZ ARG A 146 -10.116 9.130 8.466 1.00 45.67 C ATOM 2272 NH1 ARG A 146 -8.834 9.223 8.667 1.00 47.67 N ATOM 2273 NH2 ARG A 146 -10.499 8.381 7.484 1.00 47.80 N ATOM 0 H ARG A 146 -8.464 8.348 12.935 1.00 23.37 H new ATOM 0 HA ARG A 146 -7.780 10.760 11.535 1.00 24.27 H new ATOM 0 HB2 ARG A 146 -9.842 10.116 13.721 1.00 27.29 H new ATOM 0 HB3 ARG A 146 -9.838 11.602 12.793 1.00 27.29 H new ATOM 0 HG2 ARG A 146 -10.154 8.888 11.454 1.00 32.72 H new ATOM 0 HG3 ARG A 146 -11.523 9.744 12.136 1.00 32.72 H new ATOM 0 HD2 ARG A 146 -11.505 11.401 10.476 1.00 37.69 H new ATOM 0 HD3 ARG A 146 -9.793 11.218 10.149 1.00 37.69 H new ATOM 0 HE ARG A 146 -12.008 9.600 8.991 1.00 43.09 H new ATOM 0 HH11 ARG A 146 -8.478 9.797 9.431 1.00 47.67 H new ATOM 0 HH12 ARG A 146 -8.185 8.722 8.060 1.00 47.67 H new ATOM 0 HH21 ARG A 146 -11.493 8.270 7.285 1.00 47.80 H new ATOM 0 HH22 ARG A 146 -9.807 7.902 6.908 1.00 47.80 H new ATOM 2287 N LEU A 147 -6.647 10.866 14.575 1.00 20.79 N ATOM 2288 CA LEU A 147 -5.687 11.636 15.424 1.00 20.40 C ATOM 2289 C LEU A 147 -4.178 11.420 15.025 1.00 20.86 C ATOM 2290 O LEU A 147 -3.510 12.365 14.597 1.00 20.81 O ATOM 2291 CB LEU A 147 -5.968 11.293 16.922 1.00 19.30 C ATOM 2292 CG LEU A 147 -7.347 11.687 17.520 1.00 18.48 C ATOM 2293 CD1 LEU A 147 -7.511 11.069 18.918 1.00 19.99 C ATOM 2294 CD2 LEU A 147 -7.534 13.210 17.616 1.00 17.05 C ATOM 0 H LEU A 147 -6.842 9.931 14.933 1.00 20.79 H new ATOM 0 HA LEU A 147 -5.853 12.700 15.256 1.00 20.40 H new ATOM 0 HB2 LEU A 147 -5.847 10.217 17.045 1.00 19.30 H new ATOM 0 HB3 LEU A 147 -5.195 11.772 17.524 1.00 19.30 H new ATOM 0 HG LEU A 147 -8.108 11.300 16.842 1.00 18.48 H new ATOM 0 HD11 LEU A 147 -8.480 11.351 19.329 1.00 19.99 H new ATOM 0 HD12 LEU A 147 -7.449 9.983 18.845 1.00 19.99 H new ATOM 0 HD13 LEU A 147 -6.720 11.434 19.572 1.00 19.99 H new ATOM 0 HD21 LEU A 147 -8.514 13.430 18.040 1.00 17.05 H new ATOM 0 HD22 LEU A 147 -6.759 13.632 18.255 1.00 17.05 H new ATOM 0 HD23 LEU A 147 -7.463 13.649 16.621 1.00 17.05 H new ATOM 2306 N TYR A 148 -3.627 10.199 15.172 1.00 20.31 N ATOM 2307 CA TYR A 148 -2.187 9.899 14.897 1.00 20.87 C ATOM 2308 C TYR A 148 -1.742 9.908 13.393 1.00 20.70 C ATOM 2309 O TYR A 148 -0.625 10.350 13.100 1.00 21.71 O ATOM 2310 CB TYR A 148 -1.800 8.540 15.556 1.00 21.25 C ATOM 2311 CG TYR A 148 -1.875 8.429 17.089 1.00 22.35 C ATOM 2312 CD1 TYR A 148 -1.015 9.179 17.899 1.00 23.24 C ATOM 2313 CD2 TYR A 148 -2.770 7.535 17.685 1.00 21.82 C ATOM 2314 CE1 TYR A 148 -1.059 9.044 19.285 1.00 24.04 C ATOM 2315 CE2 TYR A 148 -2.807 7.396 19.071 1.00 24.09 C ATOM 2316 CZ TYR A 148 -1.952 8.148 19.868 1.00 23.72 C ATOM 2317 OH TYR A 148 -1.997 8.007 21.227 1.00 25.80 O ATOM 0 H TYR A 148 -4.158 9.386 15.484 1.00 20.31 H new ATOM 0 HA TYR A 148 -1.646 10.735 15.340 1.00 20.87 H new ATOM 0 HB2 TYR A 148 -2.445 7.769 15.134 1.00 21.25 H new ATOM 0 HB3 TYR A 148 -0.780 8.302 15.254 1.00 21.25 H new ATOM 0 HD1 TYR A 148 -0.314 9.866 17.448 1.00 23.24 H new ATOM 0 HD2 TYR A 148 -3.436 6.950 17.068 1.00 21.82 H new ATOM 0 HE1 TYR A 148 -0.401 9.633 19.907 1.00 24.04 H new ATOM 0 HE2 TYR A 148 -3.500 6.704 19.526 1.00 24.09 H new ATOM 0 HH TYR A 148 -2.676 7.342 21.465 1.00 25.80 H new ATOM 2327 N ALA A 149 -2.558 9.397 12.451 1.00 20.76 N ATOM 2328 CA ALA A 149 -2.296 9.550 10.995 1.00 22.75 C ATOM 2329 C ALA A 149 -3.004 10.815 10.397 1.00 24.78 C ATOM 2330 O ALA A 149 -3.962 10.731 9.623 1.00 25.03 O ATOM 2331 CB ALA A 149 -2.698 8.214 10.338 1.00 21.85 C ATOM 0 H ALA A 149 -3.406 8.873 12.666 1.00 20.76 H new ATOM 0 HA ALA A 149 -1.243 9.743 10.792 1.00 22.75 H new ATOM 0 HB1 ALA A 149 -2.525 8.271 9.263 1.00 21.85 H new ATOM 0 HB2 ALA A 149 -2.099 7.407 10.760 1.00 21.85 H new ATOM 0 HB3 ALA A 149 -3.754 8.019 10.526 1.00 21.85 H new ATOM 2337 N SER A 150 -2.499 12.011 10.739 1.00 0.00 N ATOM 2338 CA SER A 150 -3.091 13.300 10.281 1.00 0.00 C ATOM 2339 C SER A 150 -2.712 13.684 8.816 1.00 0.00 C ATOM 2340 O SER A 150 -1.709 13.297 8.212 1.00 0.00 O ATOM 2341 CB SER A 150 -2.687 14.394 11.297 1.00 0.00 C ATOM 2342 OG SER A 150 -3.422 14.285 12.521 1.00 0.00 O ATOM 2343 OXT SER A 150 -3.638 14.509 8.247 1.00 0.00 O ATOM 0 H SER A 150 -1.678 12.123 11.334 1.00 0.00 H new ATOM 0 HA SER A 150 -4.175 13.194 10.250 1.00 0.00 H new ATOM 0 HB2 SER A 150 -1.620 14.318 11.507 1.00 0.00 H new ATOM 0 HB3 SER A 150 -2.857 15.377 10.858 1.00 0.00 H new ATOM 0 HG SER A 150 -3.197 13.440 12.964 1.00 0.00 H new TER 2349 SER A 150 ATOM 2350 N MET B 1 -5.593 -11.108 -21.072 1.00 9.67 N ATOM 2351 CA MET B 1 -4.990 -10.086 -20.180 1.00 10.38 C ATOM 2352 C MET B 1 -3.783 -10.594 -19.321 1.00 9.62 C ATOM 2353 O MET B 1 -3.747 -11.725 -18.826 1.00 9.62 O ATOM 2354 CB MET B 1 -6.096 -9.366 -19.362 1.00 13.77 C ATOM 2355 CG MET B 1 -6.785 -10.134 -18.221 1.00 16.29 C ATOM 2356 SD MET B 1 -8.139 -9.166 -17.531 1.00 17.17 S ATOM 2357 CE MET B 1 -8.412 -10.046 -15.986 1.00 16.11 C ATOM 0 H1 MET B 1 -6.393 -10.690 -21.588 1.00 9.67 H new ATOM 0 H2 MET B 1 -4.879 -11.441 -21.751 1.00 9.67 H new ATOM 0 H3 MET B 1 -5.930 -11.910 -20.503 1.00 9.67 H new ATOM 0 HA MET B 1 -4.519 -9.342 -20.823 1.00 10.38 H new ATOM 0 HB2 MET B 1 -5.658 -8.463 -18.936 1.00 13.77 H new ATOM 0 HB3 MET B 1 -6.869 -9.047 -20.060 1.00 13.77 H new ATOM 0 HG2 MET B 1 -7.164 -11.086 -18.593 1.00 16.29 H new ATOM 0 HG3 MET B 1 -6.060 -10.363 -17.440 1.00 16.29 H new ATOM 0 HE1 MET B 1 -9.224 -9.571 -15.435 1.00 16.11 H new ATOM 0 HE2 MET B 1 -8.676 -11.082 -16.199 1.00 16.11 H new ATOM 0 HE3 MET B 1 -7.502 -10.019 -15.386 1.00 16.11 H new ATOM 2368 N GLN B 2 -2.786 -9.713 -19.129 1.00 9.27 N ATOM 2369 CA GLN B 2 -1.571 -10.026 -18.325 1.00 9.07 C ATOM 2370 C GLN B 2 -1.549 -9.150 -17.029 1.00 8.72 C ATOM 2371 O GLN B 2 -0.973 -8.057 -17.013 1.00 8.22 O ATOM 2372 CB GLN B 2 -0.366 -9.803 -19.282 1.00 14.46 C ATOM 2373 CG GLN B 2 1.005 -10.252 -18.714 1.00 17.01 C ATOM 2374 CD GLN B 2 2.200 -9.877 -19.589 1.00 20.10 C ATOM 2375 OE1 GLN B 2 2.711 -10.648 -20.390 1.00 21.89 O ATOM 2376 NE2 GLN B 2 2.686 -8.669 -19.476 1.00 19.49 N ATOM 0 H GLN B 2 -2.790 -8.770 -19.519 1.00 9.27 H new ATOM 0 HA GLN B 2 -1.541 -11.052 -17.958 1.00 9.07 H new ATOM 0 HB2 GLN B 2 -0.553 -10.342 -20.211 1.00 14.46 H new ATOM 0 HB3 GLN B 2 -0.310 -8.744 -19.533 1.00 14.46 H new ATOM 0 HG2 GLN B 2 1.139 -9.809 -17.727 1.00 17.01 H new ATOM 0 HG3 GLN B 2 0.993 -11.334 -18.579 1.00 17.01 H new ATOM 0 HE21 GLN B 2 2.273 -8.013 -18.813 1.00 19.49 H new ATOM 0 HE22 GLN B 2 3.479 -8.382 -20.050 1.00 19.49 H new ATOM 2385 N ILE B 3 -2.191 -9.617 -15.945 1.00 5.87 N ATOM 2386 CA ILE B 3 -2.245 -8.859 -14.650 1.00 5.07 C ATOM 2387 C ILE B 3 -0.937 -9.057 -13.804 1.00 4.01 C ATOM 2388 O ILE B 3 -0.354 -10.144 -13.749 1.00 4.61 O ATOM 2389 CB ILE B 3 -3.580 -9.097 -13.850 1.00 6.55 C ATOM 2390 CG1 ILE B 3 -3.727 -10.526 -13.256 1.00 4.72 C ATOM 2391 CG2 ILE B 3 -4.832 -8.676 -14.665 1.00 5.58 C ATOM 2392 CD1 ILE B 3 -4.934 -10.751 -12.329 1.00 10.83 C ATOM 0 H ILE B 3 -2.683 -10.510 -15.923 1.00 5.87 H new ATOM 0 HA ILE B 3 -2.273 -7.798 -14.900 1.00 5.07 H new ATOM 0 HB ILE B 3 -3.509 -8.437 -12.985 1.00 6.55 H new ATOM 0 HG12 ILE B 3 -3.790 -11.236 -14.081 1.00 4.72 H new ATOM 0 HG13 ILE B 3 -2.819 -10.762 -12.701 1.00 4.72 H new ATOM 0 HG21 ILE B 3 -5.729 -8.858 -14.074 1.00 5.58 H new ATOM 0 HG22 ILE B 3 -4.767 -7.616 -14.909 1.00 5.58 H new ATOM 0 HG23 ILE B 3 -4.880 -9.258 -15.585 1.00 5.58 H new ATOM 0 HD11 ILE B 3 -4.934 -11.782 -11.975 1.00 10.83 H new ATOM 0 HD12 ILE B 3 -4.869 -10.075 -11.477 1.00 10.83 H new ATOM 0 HD13 ILE B 3 -5.855 -10.556 -12.878 1.00 10.83 H new ATOM 2404 N PHE B 4 -0.452 -7.991 -13.158 1.00 4.55 N ATOM 2405 CA PHE B 4 0.919 -7.953 -12.575 1.00 4.68 C ATOM 2406 C PHE B 4 0.892 -8.218 -11.038 1.00 5.30 C ATOM 2407 O PHE B 4 0.243 -7.495 -10.279 1.00 5.58 O ATOM 2408 CB PHE B 4 1.569 -6.583 -12.923 1.00 4.83 C ATOM 2409 CG PHE B 4 1.888 -6.374 -14.417 1.00 7.97 C ATOM 2410 CD1 PHE B 4 3.041 -6.935 -14.978 1.00 8.34 C ATOM 2411 CD2 PHE B 4 1.007 -5.654 -15.232 1.00 6.69 C ATOM 2412 CE1 PHE B 4 3.312 -6.770 -16.335 1.00 10.61 C ATOM 2413 CE2 PHE B 4 1.279 -5.494 -16.588 1.00 9.10 C ATOM 2414 CZ PHE B 4 2.432 -6.046 -17.137 1.00 8.90 C ATOM 0 H PHE B 4 -0.983 -7.131 -13.018 1.00 4.55 H new ATOM 0 HA PHE B 4 1.524 -8.751 -13.006 1.00 4.68 H new ATOM 0 HB2 PHE B 4 0.901 -5.787 -12.595 1.00 4.83 H new ATOM 0 HB3 PHE B 4 2.492 -6.480 -12.352 1.00 4.83 H new ATOM 0 HD1 PHE B 4 3.723 -7.497 -14.357 1.00 8.34 H new ATOM 0 HD2 PHE B 4 0.113 -5.221 -14.808 1.00 6.69 H new ATOM 0 HE1 PHE B 4 4.203 -7.203 -16.765 1.00 10.61 H new ATOM 0 HE2 PHE B 4 0.594 -4.941 -17.214 1.00 9.10 H new ATOM 0 HZ PHE B 4 2.646 -5.913 -18.187 1.00 8.90 H new ATOM 2424 N VAL B 5 1.612 -9.245 -10.566 1.00 4.44 N ATOM 2425 CA VAL B 5 1.669 -9.591 -9.113 1.00 3.87 C ATOM 2426 C VAL B 5 2.908 -8.876 -8.463 1.00 4.93 C ATOM 2427 O VAL B 5 4.071 -9.205 -8.723 1.00 6.84 O ATOM 2428 CB VAL B 5 1.608 -11.147 -8.932 1.00 2.99 C ATOM 2429 CG1 VAL B 5 1.829 -11.619 -7.477 1.00 5.28 C ATOM 2430 CG2 VAL B 5 0.269 -11.773 -9.388 1.00 9.13 C ATOM 0 H VAL B 5 2.169 -9.860 -11.159 1.00 4.44 H new ATOM 0 HA VAL B 5 0.800 -9.217 -8.572 1.00 3.87 H new ATOM 0 HB VAL B 5 2.426 -11.485 -9.568 1.00 2.99 H new ATOM 0 HG11 VAL B 5 1.772 -12.707 -7.435 1.00 5.28 H new ATOM 0 HG12 VAL B 5 2.811 -11.294 -7.134 1.00 5.28 H new ATOM 0 HG13 VAL B 5 1.060 -11.190 -6.835 1.00 5.28 H new ATOM 0 HG21 VAL B 5 0.300 -12.851 -9.233 1.00 9.13 H new ATOM 0 HG22 VAL B 5 -0.549 -11.346 -8.807 1.00 9.13 H new ATOM 0 HG23 VAL B 5 0.111 -11.563 -10.446 1.00 9.13 H new ATOM 2440 N LYS B 6 2.635 -7.895 -7.587 1.00 6.04 N ATOM 2441 CA LYS B 6 3.671 -7.190 -6.785 1.00 6.12 C ATOM 2442 C LYS B 6 4.115 -8.064 -5.564 1.00 6.57 C ATOM 2443 O LYS B 6 3.415 -8.135 -4.549 1.00 5.76 O ATOM 2444 CB LYS B 6 3.036 -5.810 -6.430 1.00 7.45 C ATOM 2445 CG LYS B 6 3.864 -4.782 -5.615 1.00 11.12 C ATOM 2446 CD LYS B 6 3.913 -5.070 -4.096 1.00 14.54 C ATOM 2447 CE LYS B 6 4.426 -3.881 -3.273 1.00 18.84 C ATOM 2448 NZ LYS B 6 4.519 -4.299 -1.844 1.00 20.55 N ATOM 0 H LYS B 6 1.688 -7.561 -7.408 1.00 6.04 H new ATOM 0 HA LYS B 6 4.606 -7.022 -7.319 1.00 6.12 H new ATOM 0 HB2 LYS B 6 2.748 -5.331 -7.366 1.00 7.45 H new ATOM 0 HB3 LYS B 6 2.118 -6.004 -5.876 1.00 7.45 H new ATOM 0 HG2 LYS B 6 4.882 -4.763 -6.003 1.00 11.12 H new ATOM 0 HG3 LYS B 6 3.445 -3.788 -5.772 1.00 11.12 H new ATOM 0 HD2 LYS B 6 2.915 -5.339 -3.751 1.00 14.54 H new ATOM 0 HD3 LYS B 6 4.555 -5.932 -3.916 1.00 14.54 H new ATOM 0 HE2 LYS B 6 5.402 -3.561 -3.638 1.00 18.84 H new ATOM 0 HE3 LYS B 6 3.752 -3.030 -3.376 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 5.201 -3.690 -1.348 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 3.585 -4.211 -1.395 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 4.836 -5.288 -1.792 1.00 20.55 H new ATOM 2462 N THR B 7 5.287 -8.708 -5.662 1.00 7.41 N ATOM 2463 CA THR B 7 5.820 -9.613 -4.595 1.00 7.48 C ATOM 2464 C THR B 7 6.472 -8.857 -3.383 1.00 8.75 C ATOM 2465 O THR B 7 6.815 -7.668 -3.452 1.00 8.58 O ATOM 2466 CB THR B 7 6.842 -10.639 -5.204 1.00 9.61 C ATOM 2467 OG1 THR B 7 8.027 -9.990 -5.656 1.00 11.78 O ATOM 2468 CG2 THR B 7 6.348 -11.505 -6.367 1.00 9.17 C ATOM 0 H THR B 7 5.901 -8.627 -6.473 1.00 7.41 H new ATOM 0 HA THR B 7 4.954 -10.141 -4.194 1.00 7.48 H new ATOM 0 HB THR B 7 7.015 -11.305 -4.359 1.00 9.61 H new ATOM 0 HG1 THR B 7 8.101 -10.084 -6.629 1.00 11.78 H new ATOM 0 HG21 THR B 7 7.149 -12.168 -6.693 1.00 9.17 H new ATOM 0 HG22 THR B 7 5.495 -12.100 -6.041 1.00 9.17 H new ATOM 0 HG23 THR B 7 6.048 -10.864 -7.196 1.00 9.17 H new ATOM 2476 N LEU B 8 6.734 -9.585 -2.282 1.00 9.84 N ATOM 2477 CA LEU B 8 7.773 -9.169 -1.287 1.00 14.15 C ATOM 2478 C LEU B 8 9.157 -9.871 -1.535 1.00 17.37 C ATOM 2479 O LEU B 8 9.714 -10.533 -0.656 1.00 17.01 O ATOM 2480 CB LEU B 8 7.240 -9.351 0.162 1.00 16.63 C ATOM 2481 CG LEU B 8 5.868 -8.752 0.565 1.00 18.88 C ATOM 2482 CD1 LEU B 8 5.691 -8.822 2.090 1.00 19.31 C ATOM 2483 CD2 LEU B 8 5.669 -7.301 0.105 1.00 18.59 C ATOM 0 H LEU B 8 6.255 -10.455 -2.049 1.00 9.84 H new ATOM 0 HA LEU B 8 7.970 -8.106 -1.426 1.00 14.15 H new ATOM 0 HB2 LEU B 8 7.196 -10.422 0.359 1.00 16.63 H new ATOM 0 HB3 LEU B 8 7.987 -8.933 0.837 1.00 16.63 H new ATOM 0 HG LEU B 8 5.116 -9.355 0.057 1.00 18.88 H new ATOM 0 HD11 LEU B 8 4.724 -8.399 2.364 1.00 19.31 H new ATOM 0 HD12 LEU B 8 5.737 -9.862 2.414 1.00 19.31 H new ATOM 0 HD13 LEU B 8 6.486 -8.255 2.575 1.00 19.31 H new ATOM 0 HD21 LEU B 8 4.687 -6.950 0.423 1.00 18.59 H new ATOM 0 HD22 LEU B 8 6.440 -6.670 0.547 1.00 18.59 H new ATOM 0 HD23 LEU B 8 5.738 -7.251 -0.982 1.00 18.59 H new ATOM 2495 N THR B 9 9.723 -9.689 -2.740 1.00 18.33 N ATOM 2496 CA THR B 9 11.066 -10.246 -3.125 1.00 19.24 C ATOM 2497 C THR B 9 11.984 -9.252 -3.927 1.00 19.48 C ATOM 2498 O THR B 9 13.210 -9.352 -3.821 1.00 23.14 O ATOM 2499 CB THR B 9 10.972 -11.605 -3.896 1.00 18.97 C ATOM 2500 OG1 THR B 9 10.370 -11.438 -5.172 1.00 20.24 O ATOM 2501 CG2 THR B 9 10.221 -12.747 -3.195 1.00 19.70 C ATOM 0 H THR B 9 9.277 -9.155 -3.486 1.00 18.33 H new ATOM 0 HA THR B 9 11.543 -10.419 -2.160 1.00 19.24 H new ATOM 0 HB THR B 9 12.019 -11.902 -3.958 1.00 18.97 H new ATOM 0 HG1 THR B 9 9.560 -10.894 -5.083 1.00 20.24 H new ATOM 0 HG21 THR B 9 10.227 -13.631 -3.832 1.00 19.70 H new ATOM 0 HG22 THR B 9 10.711 -12.978 -2.249 1.00 19.70 H new ATOM 0 HG23 THR B 9 9.191 -12.443 -3.006 1.00 19.70 H new ATOM 2509 N GLY B 10 11.416 -8.370 -4.778 1.00 19.43 N ATOM 2510 CA GLY B 10 12.149 -7.763 -5.933 1.00 18.74 C ATOM 2511 C GLY B 10 11.765 -8.360 -7.313 1.00 17.62 C ATOM 2512 O GLY B 10 11.376 -7.643 -8.236 1.00 19.74 O ATOM 0 H GLY B 10 10.449 -8.056 -4.694 1.00 19.43 H new ATOM 0 HA2 GLY B 10 11.957 -6.690 -5.947 1.00 18.74 H new ATOM 0 HA3 GLY B 10 13.220 -7.893 -5.778 1.00 18.74 H new ATOM 2516 N LYS B 11 11.852 -9.692 -7.431 1.00 13.56 N ATOM 2517 CA LYS B 11 11.359 -10.472 -8.601 1.00 11.91 C ATOM 2518 C LYS B 11 9.803 -10.348 -8.818 1.00 10.18 C ATOM 2519 O LYS B 11 9.006 -10.754 -7.969 1.00 9.10 O ATOM 2520 CB LYS B 11 11.859 -11.913 -8.291 1.00 13.43 C ATOM 2521 CG LYS B 11 11.674 -12.992 -9.380 1.00 16.69 C ATOM 2522 CD LYS B 11 12.364 -14.307 -8.928 1.00 17.92 C ATOM 2523 CE LYS B 11 12.150 -15.534 -9.833 1.00 20.81 C ATOM 2524 NZ LYS B 11 10.745 -16.011 -9.680 1.00 21.93 N ATOM 0 H LYS B 11 12.272 -10.278 -6.710 1.00 13.56 H new ATOM 0 HA LYS B 11 11.737 -10.107 -9.556 1.00 11.91 H new ATOM 0 HB2 LYS B 11 12.922 -11.855 -8.055 1.00 13.43 H new ATOM 0 HB3 LYS B 11 11.351 -12.257 -7.390 1.00 13.43 H new ATOM 0 HG2 LYS B 11 10.613 -13.168 -9.556 1.00 16.69 H new ATOM 0 HG3 LYS B 11 12.101 -12.650 -10.322 1.00 16.69 H new ATOM 0 HD2 LYS B 11 13.435 -14.122 -8.850 1.00 17.92 H new ATOM 0 HD3 LYS B 11 12.009 -14.554 -7.927 1.00 17.92 H new ATOM 0 HE2 LYS B 11 12.348 -15.274 -10.873 1.00 20.81 H new ATOM 0 HE3 LYS B 11 12.848 -16.327 -9.564 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 10.629 -16.915 -10.180 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 10.531 -16.144 -8.671 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 10.094 -15.307 -10.082 1.00 21.93 H new ATOM 2538 N THR B 12 9.387 -9.707 -9.924 1.00 9.63 N ATOM 2539 CA THR B 12 7.951 -9.361 -10.192 1.00 9.85 C ATOM 2540 C THR B 12 7.339 -10.285 -11.307 1.00 11.66 C ATOM 2541 O THR B 12 8.000 -10.659 -12.282 1.00 12.33 O ATOM 2542 CB THR B 12 7.868 -7.832 -10.503 1.00 10.85 C ATOM 2543 OG1 THR B 12 8.419 -7.074 -9.425 1.00 10.91 O ATOM 2544 CG2 THR B 12 6.445 -7.281 -10.688 1.00 9.63 C ATOM 0 H THR B 12 10.022 -9.408 -10.664 1.00 9.63 H new ATOM 0 HA THR B 12 7.333 -9.554 -9.315 1.00 9.85 H new ATOM 0 HB THR B 12 8.415 -7.731 -11.440 1.00 10.85 H new ATOM 0 HG1 THR B 12 8.362 -6.118 -9.634 1.00 10.91 H new ATOM 0 HG21 THR B 12 6.493 -6.213 -10.900 1.00 9.63 H new ATOM 0 HG22 THR B 12 5.961 -7.794 -11.519 1.00 9.63 H new ATOM 0 HG23 THR B 12 5.870 -7.445 -9.777 1.00 9.63 H new ATOM 2552 N ILE B 13 6.063 -10.672 -11.145 1.00 10.42 N ATOM 2553 CA ILE B 13 5.458 -11.859 -11.836 1.00 11.84 C ATOM 2554 C ILE B 13 4.329 -11.407 -12.840 1.00 10.55 C ATOM 2555 O ILE B 13 3.389 -10.687 -12.483 1.00 11.92 O ATOM 2556 CB ILE B 13 5.076 -13.040 -10.828 1.00 14.86 C ATOM 2557 CG1 ILE B 13 3.785 -13.844 -11.181 1.00 14.87 C ATOM 2558 CG2 ILE B 13 5.096 -12.696 -9.313 1.00 17.08 C ATOM 2559 CD1 ILE B 13 3.572 -15.180 -10.453 1.00 16.46 C ATOM 0 H ILE B 13 5.409 -10.181 -10.535 1.00 10.42 H new ATOM 0 HA ILE B 13 6.218 -12.326 -12.462 1.00 11.84 H new ATOM 0 HB ILE B 13 5.927 -13.698 -11.003 1.00 14.86 H new ATOM 0 HG12 ILE B 13 2.924 -13.207 -10.978 1.00 14.87 H new ATOM 0 HG13 ILE B 13 3.791 -14.040 -12.253 1.00 14.87 H new ATOM 0 HG21 ILE B 13 4.819 -13.578 -8.736 1.00 17.08 H new ATOM 0 HG22 ILE B 13 6.097 -12.374 -9.026 1.00 17.08 H new ATOM 0 HG23 ILE B 13 4.386 -11.894 -9.113 1.00 17.08 H new ATOM 0 HD11 ILE B 13 2.640 -15.634 -10.790 1.00 16.46 H new ATOM 0 HD12 ILE B 13 4.403 -15.851 -10.673 1.00 16.46 H new ATOM 0 HD13 ILE B 13 3.522 -15.005 -9.378 1.00 16.46 H new ATOM 2571 N THR B 14 4.372 -11.934 -14.081 1.00 9.39 N ATOM 2572 CA THR B 14 3.205 -11.927 -15.019 1.00 9.63 C ATOM 2573 C THR B 14 2.161 -13.038 -14.662 1.00 11.20 C ATOM 2574 O THR B 14 2.528 -14.198 -14.427 1.00 11.63 O ATOM 2575 CB THR B 14 3.636 -12.107 -16.513 1.00 10.38 C ATOM 2576 OG1 THR B 14 4.217 -13.389 -16.764 1.00 16.30 O ATOM 2577 CG2 THR B 14 4.605 -11.046 -17.055 1.00 11.66 C ATOM 0 H THR B 14 5.205 -12.376 -14.469 1.00 9.39 H new ATOM 0 HA THR B 14 2.746 -10.946 -14.901 1.00 9.63 H new ATOM 0 HB THR B 14 2.690 -11.994 -17.042 1.00 10.38 H new ATOM 0 HG1 THR B 14 3.545 -14.087 -16.618 1.00 16.30 H new ATOM 0 HG21 THR B 14 4.838 -11.265 -18.097 1.00 11.66 H new ATOM 0 HG22 THR B 14 4.142 -10.061 -16.986 1.00 11.66 H new ATOM 0 HG23 THR B 14 5.523 -11.058 -16.467 1.00 11.66 H new ATOM 2585 N LEU B 15 0.863 -12.703 -14.657 1.00 8.29 N ATOM 2586 CA LEU B 15 -0.222 -13.691 -14.411 1.00 9.03 C ATOM 2587 C LEU B 15 -1.219 -13.737 -15.617 1.00 8.59 C ATOM 2588 O LEU B 15 -1.906 -12.756 -15.926 1.00 7.79 O ATOM 2589 CB LEU B 15 -0.903 -13.331 -13.063 1.00 11.08 C ATOM 2590 CG LEU B 15 -1.530 -14.534 -12.319 1.00 15.79 C ATOM 2591 CD1 LEU B 15 -0.469 -15.296 -11.506 1.00 15.88 C ATOM 2592 CD2 LEU B 15 -2.638 -14.055 -11.380 1.00 15.27 C ATOM 0 H LEU B 15 0.528 -11.754 -14.820 1.00 8.29 H new ATOM 0 HA LEU B 15 0.181 -14.701 -14.332 1.00 9.03 H new ATOM 0 HB2 LEU B 15 -0.165 -12.862 -12.412 1.00 11.08 H new ATOM 0 HB3 LEU B 15 -1.681 -12.590 -13.250 1.00 11.08 H new ATOM 0 HG LEU B 15 -1.949 -15.207 -13.067 1.00 15.79 H new ATOM 0 HD11 LEU B 15 -0.938 -16.136 -10.994 1.00 15.88 H new ATOM 0 HD12 LEU B 15 0.306 -15.667 -12.177 1.00 15.88 H new ATOM 0 HD13 LEU B 15 -0.023 -14.626 -10.771 1.00 15.88 H new ATOM 0 HD21 LEU B 15 -3.071 -14.911 -10.862 1.00 15.27 H new ATOM 0 HD22 LEU B 15 -2.221 -13.362 -10.649 1.00 15.27 H new ATOM 0 HD23 LEU B 15 -3.412 -13.551 -11.958 1.00 15.27 H new ATOM 2604 N GLU B 16 -1.277 -14.889 -16.296 1.00 11.04 N ATOM 2605 CA GLU B 16 -1.902 -15.018 -17.640 1.00 11.50 C ATOM 2606 C GLU B 16 -3.381 -15.510 -17.500 1.00 10.13 C ATOM 2607 O GLU B 16 -3.632 -16.664 -17.125 1.00 9.83 O ATOM 2608 CB GLU B 16 -1.022 -16.001 -18.477 1.00 17.22 C ATOM 2609 CG GLU B 16 0.502 -15.689 -18.652 1.00 23.33 C ATOM 2610 CD GLU B 16 1.418 -15.904 -17.451 1.00 26.99 C ATOM 2611 OE1 GLU B 16 1.106 -16.733 -16.567 1.00 28.90 O ATOM 2612 OE2 GLU B 16 2.455 -15.216 -17.361 1.00 28.86 O ATOM 0 H GLU B 16 -0.895 -15.765 -15.939 1.00 11.04 H new ATOM 0 HA GLU B 16 -1.945 -14.057 -18.153 1.00 11.50 H new ATOM 0 HB2 GLU B 16 -1.106 -16.988 -18.022 1.00 17.22 H new ATOM 0 HB3 GLU B 16 -1.461 -16.070 -19.472 1.00 17.22 H new ATOM 0 HG2 GLU B 16 0.877 -16.302 -19.472 1.00 23.33 H new ATOM 0 HG3 GLU B 16 0.597 -14.648 -18.963 1.00 23.33 H new ATOM 2619 N VAL B 17 -4.356 -14.613 -17.700 1.00 8.99 N ATOM 2620 CA VAL B 17 -5.757 -14.799 -17.194 1.00 8.85 C ATOM 2621 C VAL B 17 -6.839 -14.193 -18.168 1.00 8.04 C ATOM 2622 O VAL B 17 -6.546 -13.401 -19.062 1.00 8.99 O ATOM 2623 CB VAL B 17 -5.906 -14.242 -15.719 1.00 9.78 C ATOM 2624 CG1 VAL B 17 -5.013 -14.909 -14.647 1.00 12.05 C ATOM 2625 CG2 VAL B 17 -5.728 -12.715 -15.591 1.00 10.54 C ATOM 0 H VAL B 17 -4.216 -13.741 -18.210 1.00 8.99 H new ATOM 0 HA VAL B 17 -5.948 -15.872 -17.165 1.00 8.85 H new ATOM 0 HB VAL B 17 -6.942 -14.514 -15.515 1.00 9.78 H new ATOM 0 HG11 VAL B 17 -5.201 -14.447 -13.678 1.00 12.05 H new ATOM 0 HG12 VAL B 17 -5.243 -15.973 -14.592 1.00 12.05 H new ATOM 0 HG13 VAL B 17 -3.964 -14.778 -14.914 1.00 12.05 H new ATOM 0 HG21 VAL B 17 -5.846 -12.421 -14.548 1.00 10.54 H new ATOM 0 HG22 VAL B 17 -4.733 -12.434 -15.936 1.00 10.54 H new ATOM 0 HG23 VAL B 17 -6.479 -12.209 -16.198 1.00 10.54 H new ATOM 2635 N GLU B 18 -8.117 -14.528 -17.942 1.00 7.29 N ATOM 2636 CA GLU B 18 -9.269 -13.604 -18.213 1.00 7.08 C ATOM 2637 C GLU B 18 -10.222 -13.561 -16.942 1.00 6.45 C ATOM 2638 O GLU B 18 -10.062 -14.397 -16.042 1.00 5.28 O ATOM 2639 CB GLU B 18 -9.991 -14.004 -19.543 1.00 10.28 C ATOM 2640 CG GLU B 18 -9.651 -13.128 -20.787 1.00 12.65 C ATOM 2641 CD GLU B 18 -10.293 -11.746 -20.873 1.00 14.15 C ATOM 2642 OE1 GLU B 18 -11.497 -11.654 -21.179 1.00 14.33 O ATOM 2643 OE2 GLU B 18 -9.589 -10.741 -20.624 1.00 18.17 O ATOM 0 H GLU B 18 -8.398 -15.435 -17.570 1.00 7.29 H new ATOM 0 HA GLU B 18 -8.915 -12.585 -18.371 1.00 7.08 H new ATOM 0 HB2 GLU B 18 -9.742 -15.040 -19.772 1.00 10.28 H new ATOM 0 HB3 GLU B 18 -11.067 -13.964 -19.377 1.00 10.28 H new ATOM 0 HG2 GLU B 18 -8.569 -12.999 -20.822 1.00 12.65 H new ATOM 0 HG3 GLU B 18 -9.934 -13.686 -21.679 1.00 12.65 H new ATOM 2650 N PRO B 19 -11.237 -12.651 -16.779 1.00 7.24 N ATOM 2651 CA PRO B 19 -12.118 -12.604 -15.562 1.00 7.07 C ATOM 2652 C PRO B 19 -12.825 -13.886 -14.987 1.00 6.65 C ATOM 2653 O PRO B 19 -13.227 -13.891 -13.819 1.00 6.37 O ATOM 2654 CB PRO B 19 -13.122 -11.499 -15.949 1.00 7.61 C ATOM 2655 CG PRO B 19 -12.348 -10.580 -16.896 1.00 8.16 C ATOM 2656 CD PRO B 19 -11.485 -11.537 -17.717 1.00 7.49 C ATOM 0 HA PRO B 19 -11.477 -12.442 -14.696 1.00 7.07 H new ATOM 0 HB2 PRO B 19 -14.002 -11.918 -16.436 1.00 7.61 H new ATOM 0 HB3 PRO B 19 -13.472 -10.957 -15.070 1.00 7.61 H new ATOM 0 HG2 PRO B 19 -13.021 -10.004 -17.532 1.00 8.16 H new ATOM 0 HG3 PRO B 19 -11.737 -9.864 -16.346 1.00 8.16 H new ATOM 0 HD2 PRO B 19 -12.000 -11.874 -18.616 1.00 7.49 H new ATOM 0 HD3 PRO B 19 -10.556 -11.067 -18.039 1.00 7.49 H new ATOM 2664 N SER B 20 -12.957 -14.967 -15.769 1.00 6.80 N ATOM 2665 CA SER B 20 -13.305 -16.323 -15.248 1.00 6.28 C ATOM 2666 C SER B 20 -12.256 -17.120 -14.385 1.00 8.45 C ATOM 2667 O SER B 20 -12.664 -18.060 -13.695 1.00 7.26 O ATOM 2668 CB SER B 20 -13.737 -17.166 -16.475 1.00 8.57 C ATOM 2669 OG SER B 20 -12.656 -17.411 -17.383 1.00 11.13 O ATOM 0 H SER B 20 -12.828 -14.940 -16.781 1.00 6.80 H new ATOM 0 HA SER B 20 -14.083 -16.145 -14.505 1.00 6.28 H new ATOM 0 HB2 SER B 20 -14.142 -18.118 -16.133 1.00 8.57 H new ATOM 0 HB3 SER B 20 -14.539 -16.649 -17.002 1.00 8.57 H new ATOM 0 HG SER B 20 -12.978 -17.947 -18.138 1.00 11.13 H new ATOM 2675 N ASP B 21 -10.945 -16.806 -14.436 1.00 7.50 N ATOM 2676 CA ASP B 21 -9.870 -17.559 -13.715 1.00 7.70 C ATOM 2677 C ASP B 21 -10.049 -17.559 -12.143 1.00 7.08 C ATOM 2678 O ASP B 21 -10.386 -16.530 -11.542 1.00 8.11 O ATOM 2679 CB ASP B 21 -8.515 -16.947 -14.203 1.00 11.00 C ATOM 2680 CG ASP B 21 -7.344 -17.904 -14.388 1.00 15.32 C ATOM 2681 OD1 ASP B 21 -7.295 -18.621 -15.408 1.00 14.36 O ATOM 2682 OD2 ASP B 21 -6.417 -17.930 -13.554 1.00 18.03 O ATOM 0 H ASP B 21 -10.589 -16.020 -14.979 1.00 7.50 H new ATOM 0 HA ASP B 21 -9.911 -18.622 -13.953 1.00 7.70 H new ATOM 0 HB2 ASP B 21 -8.694 -16.445 -15.154 1.00 11.00 H new ATOM 0 HB3 ASP B 21 -8.215 -16.180 -13.489 1.00 11.00 H new ATOM 2687 N THR B 22 -9.901 -18.719 -11.477 1.00 5.37 N ATOM 2688 CA THR B 22 -10.175 -18.855 -10.006 1.00 6.01 C ATOM 2689 C THR B 22 -9.032 -18.285 -9.092 1.00 8.01 C ATOM 2690 O THR B 22 -7.868 -18.247 -9.494 1.00 8.11 O ATOM 2691 CB THR B 22 -10.557 -20.326 -9.607 1.00 8.92 C ATOM 2692 OG1 THR B 22 -9.517 -21.263 -9.888 1.00 10.22 O ATOM 2693 CG2 THR B 22 -11.834 -20.875 -10.259 1.00 9.65 C ATOM 0 H THR B 22 -9.594 -19.585 -11.921 1.00 5.37 H new ATOM 0 HA THR B 22 -11.045 -18.225 -9.819 1.00 6.01 H new ATOM 0 HB THR B 22 -10.728 -20.231 -8.535 1.00 8.92 H new ATOM 0 HG1 THR B 22 -9.774 -22.147 -9.553 1.00 10.22 H new ATOM 0 HG21 THR B 22 -12.007 -21.895 -9.917 1.00 9.65 H new ATOM 0 HG22 THR B 22 -12.682 -20.250 -9.980 1.00 9.65 H new ATOM 0 HG23 THR B 22 -11.720 -20.870 -11.343 1.00 9.65 H new ATOM 2701 N ILE B 23 -9.329 -17.870 -7.845 1.00 8.32 N ATOM 2702 CA ILE B 23 -8.270 -17.480 -6.841 1.00 9.92 C ATOM 2703 C ILE B 23 -7.366 -18.686 -6.350 1.00 10.01 C ATOM 2704 O ILE B 23 -6.155 -18.524 -6.183 1.00 8.71 O ATOM 2705 CB ILE B 23 -8.845 -16.571 -5.691 1.00 10.78 C ATOM 2706 CG1 ILE B 23 -9.677 -15.334 -6.146 1.00 11.38 C ATOM 2707 CG2 ILE B 23 -7.772 -16.086 -4.678 1.00 10.90 C ATOM 2708 CD1 ILE B 23 -9.010 -14.368 -7.146 1.00 12.30 C ATOM 0 H ILE B 23 -10.283 -17.790 -7.492 1.00 8.32 H new ATOM 0 HA ILE B 23 -7.561 -16.849 -7.377 1.00 9.92 H new ATOM 0 HB ILE B 23 -9.531 -17.265 -5.205 1.00 10.78 H new ATOM 0 HG12 ILE B 23 -10.604 -15.695 -6.592 1.00 11.38 H new ATOM 0 HG13 ILE B 23 -9.951 -14.765 -5.257 1.00 11.38 H new ATOM 0 HG21 ILE B 23 -8.245 -15.466 -3.916 1.00 10.90 H new ATOM 0 HG22 ILE B 23 -7.303 -16.948 -4.204 1.00 10.90 H new ATOM 0 HG23 ILE B 23 -7.014 -15.503 -5.202 1.00 10.90 H new ATOM 0 HD11 ILE B 23 -9.696 -13.553 -7.378 1.00 12.30 H new ATOM 0 HD12 ILE B 23 -8.099 -13.961 -6.707 1.00 12.30 H new ATOM 0 HD13 ILE B 23 -8.763 -14.906 -8.061 1.00 12.30 H new ATOM 2720 N GLU B 24 -7.925 -19.896 -6.187 1.00 9.54 N ATOM 2721 CA GLU B 24 -7.240 -21.199 -6.476 1.00 11.81 C ATOM 2722 C GLU B 24 -6.179 -21.224 -7.653 1.00 11.14 C ATOM 2723 O GLU B 24 -4.988 -21.430 -7.400 1.00 10.62 O ATOM 2724 CB GLU B 24 -8.450 -22.170 -6.659 1.00 19.24 C ATOM 2725 CG GLU B 24 -8.178 -23.629 -7.129 1.00 27.76 C ATOM 2726 CD GLU B 24 -9.374 -24.286 -7.800 1.00 32.92 C ATOM 2727 OE1 GLU B 24 -9.877 -23.710 -8.795 1.00 34.80 O ATOM 2728 OE2 GLU B 24 -9.814 -25.359 -7.345 1.00 36.51 O ATOM 0 H GLU B 24 -8.879 -20.015 -5.846 1.00 9.54 H new ATOM 0 HA GLU B 24 -6.561 -21.478 -5.670 1.00 11.81 H new ATOM 0 HB2 GLU B 24 -8.977 -22.223 -5.706 1.00 19.24 H new ATOM 0 HB3 GLU B 24 -9.133 -21.714 -7.376 1.00 19.24 H new ATOM 0 HG2 GLU B 24 -7.338 -23.627 -7.824 1.00 27.76 H new ATOM 0 HG3 GLU B 24 -7.879 -24.229 -6.269 1.00 27.76 H new ATOM 2735 N ASN B 25 -6.589 -20.978 -8.913 1.00 9.43 N ATOM 2736 CA ASN B 25 -5.661 -20.843 -10.077 1.00 10.96 C ATOM 2737 C ASN B 25 -4.644 -19.640 -10.030 1.00 9.68 C ATOM 2738 O ASN B 25 -3.491 -19.809 -10.433 1.00 9.33 O ATOM 2739 CB ASN B 25 -6.529 -20.867 -11.366 1.00 16.78 C ATOM 2740 CG ASN B 25 -5.831 -21.327 -12.647 1.00 22.31 C ATOM 2741 OD1 ASN B 25 -4.733 -21.872 -12.679 1.00 25.66 O ATOM 2742 ND2 ASN B 25 -6.474 -21.173 -13.773 1.00 24.70 N ATOM 0 H ASN B 25 -7.571 -20.866 -9.163 1.00 9.43 H new ATOM 0 HA ASN B 25 -4.974 -21.689 -10.050 1.00 10.96 H new ATOM 0 HB2 ASN B 25 -7.384 -21.519 -11.190 1.00 16.78 H new ATOM 0 HB3 ASN B 25 -6.922 -19.864 -11.532 1.00 16.78 H new ATOM 0 HD21 ASN B 25 -6.061 -21.502 -14.645 1.00 24.70 H new ATOM 0 HD22 ASN B 25 -7.390 -20.723 -13.780 1.00 24.70 H new ATOM 2749 N VAL B 26 -5.012 -18.468 -9.476 1.00 6.52 N ATOM 2750 CA VAL B 26 -4.050 -17.404 -9.030 1.00 5.53 C ATOM 2751 C VAL B 26 -2.944 -17.939 -8.043 1.00 4.42 C ATOM 2752 O VAL B 26 -1.755 -17.781 -8.333 1.00 3.40 O ATOM 2753 CB VAL B 26 -4.830 -16.156 -8.462 1.00 3.86 C ATOM 2754 CG1 VAL B 26 -3.940 -15.022 -7.894 1.00 7.25 C ATOM 2755 CG2 VAL B 26 -5.797 -15.484 -9.468 1.00 8.12 C ATOM 0 H VAL B 26 -5.988 -18.218 -9.318 1.00 6.52 H new ATOM 0 HA VAL B 26 -3.497 -17.076 -9.910 1.00 5.53 H new ATOM 0 HB VAL B 26 -5.389 -16.627 -7.653 1.00 3.86 H new ATOM 0 HG11 VAL B 26 -4.572 -14.212 -7.529 1.00 7.25 H new ATOM 0 HG12 VAL B 26 -3.337 -15.410 -7.073 1.00 7.25 H new ATOM 0 HG13 VAL B 26 -3.285 -14.646 -8.680 1.00 7.25 H new ATOM 0 HG21 VAL B 26 -6.288 -14.637 -8.990 1.00 8.12 H new ATOM 0 HG22 VAL B 26 -5.236 -15.136 -10.335 1.00 8.12 H new ATOM 0 HG23 VAL B 26 -6.549 -16.206 -9.788 1.00 8.12 H new ATOM 2765 N LYS B 27 -3.308 -18.582 -6.915 1.00 2.64 N ATOM 2766 CA LYS B 27 -2.327 -19.247 -6.007 1.00 4.14 C ATOM 2767 C LYS B 27 -1.472 -20.412 -6.622 1.00 5.58 C ATOM 2768 O LYS B 27 -0.268 -20.466 -6.354 1.00 4.11 O ATOM 2769 CB LYS B 27 -3.012 -19.656 -4.670 1.00 3.97 C ATOM 2770 CG LYS B 27 -3.433 -18.477 -3.756 1.00 7.45 C ATOM 2771 CD LYS B 27 -3.707 -18.912 -2.299 1.00 9.02 C ATOM 2772 CE LYS B 27 -3.990 -17.708 -1.387 1.00 12.90 C ATOM 2773 NZ LYS B 27 -4.197 -18.155 0.015 1.00 15.47 N ATOM 0 H LYS B 27 -4.276 -18.660 -6.603 1.00 2.64 H new ATOM 0 HA LYS B 27 -1.573 -18.484 -5.815 1.00 4.14 H new ATOM 0 HB2 LYS B 27 -3.897 -20.250 -4.900 1.00 3.97 H new ATOM 0 HB3 LYS B 27 -2.331 -20.301 -4.114 1.00 3.97 H new ATOM 0 HG2 LYS B 27 -2.648 -17.721 -3.762 1.00 7.45 H new ATOM 0 HG3 LYS B 27 -4.329 -18.009 -4.165 1.00 7.45 H new ATOM 0 HD2 LYS B 27 -4.558 -19.593 -2.277 1.00 9.02 H new ATOM 0 HD3 LYS B 27 -2.848 -19.463 -1.917 1.00 9.02 H new ATOM 0 HE2 LYS B 27 -3.157 -17.006 -1.432 1.00 12.90 H new ATOM 0 HE3 LYS B 27 -4.874 -17.177 -1.740 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 -4.646 -17.392 0.560 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 -4.810 -18.995 0.025 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 -3.279 -18.392 0.443 1.00 15.47 H new ATOM 2787 N ALA B 28 -2.037 -21.290 -7.470 1.00 6.61 N ATOM 2788 CA ALA B 28 -1.247 -22.219 -8.327 1.00 7.74 C ATOM 2789 C ALA B 28 -0.252 -21.556 -9.349 1.00 9.17 C ATOM 2790 O ALA B 28 0.917 -21.929 -9.373 1.00 11.45 O ATOM 2791 CB ALA B 28 -2.270 -23.150 -9.004 1.00 7.68 C ATOM 0 H ALA B 28 -3.046 -21.383 -7.587 1.00 6.61 H new ATOM 0 HA ALA B 28 -0.551 -22.764 -7.690 1.00 7.74 H new ATOM 0 HB1 ALA B 28 -1.748 -23.857 -9.648 1.00 7.68 H new ATOM 0 HB2 ALA B 28 -2.826 -23.696 -8.241 1.00 7.68 H new ATOM 0 HB3 ALA B 28 -2.962 -22.557 -9.602 1.00 7.68 H new ATOM 2797 N LYS B 29 -0.676 -20.557 -10.147 1.00 8.96 N ATOM 2798 CA LYS B 29 0.238 -19.746 -11.016 1.00 7.90 C ATOM 2799 C LYS B 29 1.333 -18.858 -10.303 1.00 6.92 C ATOM 2800 O LYS B 29 2.316 -18.491 -10.948 1.00 6.87 O ATOM 2801 CB LYS B 29 -0.663 -18.886 -11.949 1.00 10.28 C ATOM 2802 CG LYS B 29 -1.432 -19.651 -13.056 1.00 14.94 C ATOM 2803 CD LYS B 29 -2.484 -18.757 -13.748 1.00 19.69 C ATOM 2804 CE LYS B 29 -3.243 -19.512 -14.853 1.00 22.63 C ATOM 2805 NZ LYS B 29 -4.374 -18.667 -15.322 1.00 24.98 N ATOM 0 H LYS B 29 -1.655 -20.280 -10.217 1.00 8.96 H new ATOM 0 HA LYS B 29 0.857 -20.463 -11.555 1.00 7.90 H new ATOM 0 HB2 LYS B 29 -1.389 -18.357 -11.331 1.00 10.28 H new ATOM 0 HB3 LYS B 29 -0.039 -18.130 -12.426 1.00 10.28 H new ATOM 0 HG2 LYS B 29 -0.726 -20.022 -13.799 1.00 14.94 H new ATOM 0 HG3 LYS B 29 -1.924 -20.521 -12.621 1.00 14.94 H new ATOM 0 HD2 LYS B 29 -3.193 -18.391 -13.006 1.00 19.69 H new ATOM 0 HD3 LYS B 29 -1.992 -17.884 -14.177 1.00 19.69 H new ATOM 0 HE2 LYS B 29 -2.573 -19.740 -15.682 1.00 22.63 H new ATOM 0 HE3 LYS B 29 -3.615 -20.463 -14.473 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 -4.983 -19.223 -15.956 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 -4.929 -18.345 -14.504 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 -4.002 -17.842 -15.834 1.00 24.98 H new ATOM 2819 N ILE B 30 1.181 -18.509 -9.012 1.00 4.57 N ATOM 2820 CA ILE B 30 2.285 -17.935 -8.168 1.00 5.58 C ATOM 2821 C ILE B 30 3.238 -19.056 -7.594 1.00 7.26 C ATOM 2822 O ILE B 30 4.458 -18.913 -7.681 1.00 9.46 O ATOM 2823 CB ILE B 30 1.679 -16.955 -7.093 1.00 5.36 C ATOM 2824 CG1 ILE B 30 0.902 -15.741 -7.698 1.00 2.94 C ATOM 2825 CG2 ILE B 30 2.748 -16.398 -6.114 1.00 2.78 C ATOM 2826 CD1 ILE B 30 -0.125 -15.089 -6.756 1.00 2.00 C ATOM 0 H ILE B 30 0.298 -18.610 -8.511 1.00 4.57 H new ATOM 0 HA ILE B 30 2.947 -17.332 -8.790 1.00 5.58 H new ATOM 0 HB ILE B 30 0.972 -17.586 -6.554 1.00 5.36 H new ATOM 0 HG12 ILE B 30 1.624 -14.984 -8.004 1.00 2.94 H new ATOM 0 HG13 ILE B 30 0.386 -16.072 -8.599 1.00 2.94 H new ATOM 0 HG21 ILE B 30 2.272 -15.729 -5.397 1.00 2.78 H new ATOM 0 HG22 ILE B 30 3.220 -17.224 -5.582 1.00 2.78 H new ATOM 0 HG23 ILE B 30 3.504 -15.849 -6.675 1.00 2.78 H new ATOM 0 HD11 ILE B 30 -0.611 -14.258 -7.267 1.00 2.00 H new ATOM 0 HD12 ILE B 30 -0.875 -15.826 -6.469 1.00 2.00 H new ATOM 0 HD13 ILE B 30 0.382 -14.721 -5.864 1.00 2.00 H new ATOM 2838 N GLN B 31 2.719 -20.165 -7.030 1.00 7.06 N ATOM 2839 CA GLN B 31 3.540 -21.374 -6.692 1.00 8.67 C ATOM 2840 C GLN B 31 4.357 -22.056 -7.864 1.00 10.90 C ATOM 2841 O GLN B 31 5.430 -22.605 -7.614 1.00 9.63 O ATOM 2842 CB GLN B 31 2.559 -22.358 -5.995 1.00 9.12 C ATOM 2843 CG GLN B 31 3.229 -23.547 -5.252 1.00 10.76 C ATOM 2844 CD GLN B 31 2.259 -24.638 -4.803 1.00 13.78 C ATOM 2845 OE1 GLN B 31 1.821 -24.707 -3.661 1.00 14.48 O ATOM 2846 NE2 GLN B 31 1.900 -25.542 -5.678 1.00 14.76 N ATOM 0 H GLN B 31 1.732 -20.261 -6.793 1.00 7.06 H new ATOM 0 HA GLN B 31 4.361 -21.054 -6.051 1.00 8.67 H new ATOM 0 HB2 GLN B 31 1.955 -21.798 -5.281 1.00 9.12 H new ATOM 0 HB3 GLN B 31 1.877 -22.758 -6.745 1.00 9.12 H new ATOM 0 HG2 GLN B 31 3.979 -23.992 -5.906 1.00 10.76 H new ATOM 0 HG3 GLN B 31 3.755 -23.163 -4.378 1.00 10.76 H new ATOM 0 HE21 GLN B 31 2.256 -25.498 -6.633 1.00 14.76 H new ATOM 0 HE22 GLN B 31 1.264 -26.291 -5.406 1.00 14.76 H new ATOM 2855 N ASP B 32 3.855 -22.015 -9.109 1.00 10.93 N ATOM 2856 CA ASP B 32 4.599 -22.330 -10.366 1.00 14.01 C ATOM 2857 C ASP B 32 5.969 -21.558 -10.539 1.00 14.04 C ATOM 2858 O ASP B 32 7.031 -22.067 -10.173 1.00 13.39 O ATOM 2859 CB ASP B 32 3.478 -22.111 -11.440 1.00 18.01 C ATOM 2860 CG ASP B 32 3.855 -22.090 -12.915 1.00 24.33 C ATOM 2861 OD1 ASP B 32 3.871 -23.152 -13.563 1.00 26.29 O ATOM 2862 OD2 ASP B 32 4.079 -20.973 -13.438 1.00 25.17 O ATOM 0 H ASP B 32 2.885 -21.753 -9.288 1.00 10.93 H new ATOM 0 HA ASP B 32 5.015 -23.336 -10.422 1.00 14.01 H new ATOM 0 HB2 ASP B 32 2.735 -22.896 -11.303 1.00 18.01 H new ATOM 0 HB3 ASP B 32 2.987 -21.164 -11.213 1.00 18.01 H new ATOM 2867 N LYS B 33 5.947 -20.332 -11.078 1.00 14.22 N ATOM 2868 CA LYS B 33 7.187 -19.558 -11.397 1.00 14.00 C ATOM 2869 C LYS B 33 7.939 -18.800 -10.236 1.00 12.37 C ATOM 2870 O LYS B 33 9.123 -18.469 -10.395 1.00 12.17 O ATOM 2871 CB LYS B 33 6.817 -18.646 -12.598 1.00 18.62 C ATOM 2872 CG LYS B 33 5.872 -17.461 -12.272 1.00 24.00 C ATOM 2873 CD LYS B 33 5.205 -16.827 -13.504 1.00 27.61 C ATOM 2874 CE LYS B 33 3.966 -17.602 -14.006 1.00 27.64 C ATOM 2875 NZ LYS B 33 3.420 -16.802 -15.129 1.00 30.06 N ATOM 0 H LYS B 33 5.085 -19.839 -11.309 1.00 14.22 H new ATOM 0 HA LYS B 33 7.966 -20.284 -11.629 1.00 14.00 H new ATOM 0 HB2 LYS B 33 7.737 -18.247 -13.025 1.00 18.62 H new ATOM 0 HB3 LYS B 33 6.349 -19.260 -13.367 1.00 18.62 H new ATOM 0 HG2 LYS B 33 5.095 -17.808 -11.591 1.00 24.00 H new ATOM 0 HG3 LYS B 33 6.439 -16.694 -11.745 1.00 24.00 H new ATOM 0 HD2 LYS B 33 4.911 -15.806 -13.262 1.00 27.61 H new ATOM 0 HD3 LYS B 33 5.936 -16.765 -14.311 1.00 27.61 H new ATOM 0 HE2 LYS B 33 4.238 -18.605 -14.336 1.00 27.64 H new ATOM 0 HE3 LYS B 33 3.228 -17.717 -13.212 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 2.539 -17.238 -15.470 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 3.224 -15.834 -14.803 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 4.114 -16.772 -15.903 1.00 30.06 H new ATOM 2889 N GLU B 34 7.276 -18.502 -9.106 1.00 10.11 N ATOM 2890 CA GLU B 34 7.943 -17.997 -7.866 1.00 10.07 C ATOM 2891 C GLU B 34 8.261 -19.083 -6.777 1.00 9.32 C ATOM 2892 O GLU B 34 9.255 -18.939 -6.059 1.00 11.61 O ATOM 2893 CB GLU B 34 7.123 -16.829 -7.241 1.00 14.77 C ATOM 2894 CG GLU B 34 6.895 -15.538 -8.077 1.00 18.75 C ATOM 2895 CD GLU B 34 8.133 -14.857 -8.616 1.00 22.28 C ATOM 2896 OE1 GLU B 34 9.055 -14.546 -7.840 1.00 21.95 O ATOM 2897 OE2 GLU B 34 8.258 -14.739 -9.855 1.00 25.19 O ATOM 0 H GLU B 34 6.265 -18.600 -9.013 1.00 10.11 H new ATOM 0 HA GLU B 34 8.918 -17.643 -8.202 1.00 10.07 H new ATOM 0 HB2 GLU B 34 6.144 -17.223 -6.969 1.00 14.77 H new ATOM 0 HB3 GLU B 34 7.618 -16.538 -6.314 1.00 14.77 H new ATOM 0 HG2 GLU B 34 6.248 -15.786 -8.918 1.00 18.75 H new ATOM 0 HG3 GLU B 34 6.353 -14.822 -7.459 1.00 18.75 H new ATOM 2904 N GLY B 35 7.418 -20.116 -6.591 1.00 7.22 N ATOM 2905 CA GLY B 35 7.537 -21.068 -5.442 1.00 6.29 C ATOM 2906 C GLY B 35 6.966 -20.657 -4.057 1.00 6.93 C ATOM 2907 O GLY B 35 7.315 -21.281 -3.054 1.00 7.41 O ATOM 0 H GLY B 35 6.640 -20.323 -7.218 1.00 7.22 H new ATOM 0 HA2 GLY B 35 7.051 -21.998 -5.735 1.00 6.29 H new ATOM 0 HA3 GLY B 35 8.596 -21.290 -5.308 1.00 6.29 H new ATOM 2911 N ILE B 36 6.090 -19.641 -3.983 1.00 5.86 N ATOM 2912 CA ILE B 36 5.643 -19.037 -2.690 1.00 6.07 C ATOM 2913 C ILE B 36 4.465 -19.897 -2.077 1.00 6.36 C ATOM 2914 O ILE B 36 3.436 -20.042 -2.749 1.00 6.18 O ATOM 2915 CB ILE B 36 5.303 -17.511 -2.879 1.00 7.47 C ATOM 2916 CG1 ILE B 36 6.520 -16.661 -3.369 1.00 8.52 C ATOM 2917 CG2 ILE B 36 4.755 -16.852 -1.582 1.00 7.36 C ATOM 2918 CD1 ILE B 36 6.160 -15.328 -4.051 1.00 9.49 C ATOM 0 H ILE B 36 5.667 -19.209 -4.804 1.00 5.86 H new ATOM 0 HA ILE B 36 6.452 -19.063 -1.960 1.00 6.07 H new ATOM 0 HB ILE B 36 4.532 -17.509 -3.649 1.00 7.47 H new ATOM 0 HG12 ILE B 36 7.163 -16.451 -2.514 1.00 8.52 H new ATOM 0 HG13 ILE B 36 7.104 -17.261 -4.067 1.00 8.52 H new ATOM 0 HG21 ILE B 36 4.538 -15.801 -1.772 1.00 7.36 H new ATOM 0 HG22 ILE B 36 3.842 -17.361 -1.273 1.00 7.36 H new ATOM 0 HG23 ILE B 36 5.500 -16.932 -0.791 1.00 7.36 H new ATOM 0 HD11 ILE B 36 7.073 -14.816 -4.353 1.00 9.49 H new ATOM 0 HD12 ILE B 36 5.546 -15.523 -4.930 1.00 9.49 H new ATOM 0 HD13 ILE B 36 5.606 -14.700 -3.353 1.00 9.49 H new ATOM 2930 N PRO B 37 4.532 -20.459 -0.828 1.00 8.65 N ATOM 2931 CA PRO B 37 3.436 -21.286 -0.244 1.00 9.18 C ATOM 2932 C PRO B 37 1.988 -20.672 -0.200 1.00 9.85 C ATOM 2933 O PRO B 37 1.865 -19.515 0.212 1.00 8.51 O ATOM 2934 CB PRO B 37 3.967 -21.559 1.179 1.00 11.42 C ATOM 2935 CG PRO B 37 5.487 -21.539 1.047 1.00 9.27 C ATOM 2936 CD PRO B 37 5.751 -20.452 0.009 1.00 8.33 C ATOM 0 HA PRO B 37 3.257 -22.155 -0.877 1.00 9.18 H new ATOM 0 HB2 PRO B 37 3.622 -20.800 1.881 1.00 11.42 H new ATOM 0 HB3 PRO B 37 3.616 -22.521 1.553 1.00 11.42 H new ATOM 0 HG2 PRO B 37 5.968 -21.309 1.998 1.00 9.27 H new ATOM 0 HG3 PRO B 37 5.872 -22.505 0.721 1.00 9.27 H new ATOM 0 HD2 PRO B 37 5.908 -19.481 0.478 1.00 8.33 H new ATOM 0 HD3 PRO B 37 6.642 -20.670 -0.580 1.00 8.33 H new ATOM 2944 N PRO B 38 0.870 -21.380 -0.546 1.00 8.71 N ATOM 2945 CA PRO B 38 -0.520 -20.853 -0.363 1.00 9.08 C ATOM 2946 C PRO B 38 -0.962 -20.217 1.001 1.00 9.28 C ATOM 2947 O PRO B 38 -1.723 -19.244 0.985 1.00 6.50 O ATOM 2948 CB PRO B 38 -1.373 -22.068 -0.775 1.00 10.31 C ATOM 2949 CG PRO B 38 -0.513 -22.815 -1.797 1.00 10.81 C ATOM 2950 CD PRO B 38 0.911 -22.670 -1.262 1.00 12.00 C ATOM 0 HA PRO B 38 -0.634 -19.945 -0.956 1.00 9.08 H new ATOM 0 HB2 PRO B 38 -1.606 -22.698 0.083 1.00 10.31 H new ATOM 0 HB3 PRO B 38 -2.323 -21.756 -1.209 1.00 10.31 H new ATOM 0 HG2 PRO B 38 -0.805 -23.862 -1.874 1.00 10.81 H new ATOM 0 HG3 PRO B 38 -0.611 -22.382 -2.793 1.00 10.81 H new ATOM 0 HD2 PRO B 38 1.177 -23.492 -0.597 1.00 12.00 H new ATOM 0 HD3 PRO B 38 1.645 -22.661 -2.068 1.00 12.00 H new ATOM 2958 N ASP B 39 -0.466 -20.716 2.149 1.00 11.20 N ATOM 2959 CA ASP B 39 -0.568 -20.005 3.456 1.00 14.96 C ATOM 2960 C ASP B 39 0.278 -18.683 3.595 1.00 13.99 C ATOM 2961 O ASP B 39 -0.224 -17.719 4.185 1.00 13.75 O ATOM 2962 CB ASP B 39 -0.280 -21.036 4.574 1.00 24.16 C ATOM 2963 CG ASP B 39 -0.535 -20.481 5.966 1.00 31.06 C ATOM 2964 OD1 ASP B 39 -1.680 -20.077 6.267 1.00 34.22 O ATOM 2965 OD2 ASP B 39 0.408 -20.359 6.767 1.00 35.55 O ATOM 0 H ASP B 39 0.014 -21.614 2.207 1.00 11.20 H new ATOM 0 HA ASP B 39 -1.583 -19.616 3.540 1.00 14.96 H new ATOM 0 HB2 ASP B 39 -0.903 -21.917 4.419 1.00 24.16 H new ATOM 0 HB3 ASP B 39 0.757 -21.363 4.502 1.00 24.16 H new ATOM 2970 N GLN B 40 1.510 -18.588 3.059 1.00 11.60 N ATOM 2971 CA GLN B 40 2.183 -17.265 2.868 1.00 10.76 C ATOM 2972 C GLN B 40 1.439 -16.239 1.944 1.00 8.01 C ATOM 2973 O GLN B 40 1.519 -15.038 2.207 1.00 8.96 O ATOM 2974 CB GLN B 40 3.666 -17.447 2.439 1.00 11.14 C ATOM 2975 CG GLN B 40 4.616 -17.895 3.583 1.00 14.85 C ATOM 2976 CD GLN B 40 6.106 -17.740 3.268 1.00 16.11 C ATOM 2977 OE1 GLN B 40 6.768 -18.630 2.751 1.00 20.52 O ATOM 2978 NE2 GLN B 40 6.691 -16.608 3.563 1.00 18.16 N ATOM 0 H GLN B 40 2.061 -19.390 2.752 1.00 11.60 H new ATOM 0 HA GLN B 40 2.143 -16.801 3.854 1.00 10.76 H new ATOM 0 HB2 GLN B 40 3.711 -18.183 1.637 1.00 11.14 H new ATOM 0 HB3 GLN B 40 4.031 -16.505 2.029 1.00 11.14 H new ATOM 0 HG2 GLN B 40 4.385 -17.317 4.478 1.00 14.85 H new ATOM 0 HG3 GLN B 40 4.414 -18.940 3.818 1.00 14.85 H new ATOM 0 HE21 GLN B 40 6.156 -15.854 3.994 1.00 18.16 H new ATOM 0 HE22 GLN B 40 7.683 -16.479 3.362 1.00 18.16 H new ATOM 2987 N GLN B 41 0.710 -16.672 0.904 1.00 6.52 N ATOM 2988 CA GLN B 41 0.047 -15.764 -0.068 1.00 3.87 C ATOM 2989 C GLN B 41 -1.219 -14.997 0.477 1.00 4.79 C ATOM 2990 O GLN B 41 -2.372 -15.342 0.198 1.00 6.34 O ATOM 2991 CB GLN B 41 -0.259 -16.596 -1.347 1.00 4.20 C ATOM 2992 CG GLN B 41 0.945 -17.161 -2.157 1.00 3.20 C ATOM 2993 CD GLN B 41 0.531 -17.792 -3.484 1.00 4.89 C ATOM 2994 OE1 GLN B 41 -0.218 -17.207 -4.255 1.00 5.21 O ATOM 2995 NE2 GLN B 41 0.984 -18.972 -3.815 1.00 7.13 N ATOM 0 H GLN B 41 0.558 -17.661 0.706 1.00 6.52 H new ATOM 0 HA GLN B 41 0.733 -14.946 -0.288 1.00 3.87 H new ATOM 0 HB2 GLN B 41 -0.889 -17.436 -1.056 1.00 4.20 H new ATOM 0 HB3 GLN B 41 -0.849 -15.972 -2.018 1.00 4.20 H new ATOM 0 HG2 GLN B 41 1.655 -16.357 -2.350 1.00 3.20 H new ATOM 0 HG3 GLN B 41 1.464 -17.906 -1.553 1.00 3.20 H new ATOM 0 HE21 GLN B 41 1.609 -19.474 -3.184 1.00 7.13 H new ATOM 0 HE22 GLN B 41 0.712 -19.392 -4.704 1.00 7.13 H new ATOM 3004 N ARG B 42 -0.990 -13.887 1.197 1.00 5.73 N ATOM 3005 CA ARG B 42 -2.042 -12.903 1.579 1.00 6.97 C ATOM 3006 C ARG B 42 -2.198 -11.836 0.435 1.00 7.15 C ATOM 3007 O ARG B 42 -1.504 -10.816 0.407 1.00 7.33 O ATOM 3008 CB ARG B 42 -1.607 -12.349 2.971 1.00 13.23 C ATOM 3009 CG ARG B 42 -2.434 -11.181 3.560 1.00 21.27 C ATOM 3010 CD ARG B 42 -1.770 -10.557 4.810 1.00 26.14 C ATOM 3011 NE ARG B 42 -2.250 -9.169 5.029 1.00 32.26 N ATOM 3012 CZ ARG B 42 -3.403 -8.841 5.600 1.00 34.32 C ATOM 3013 NH1 ARG B 42 -4.142 -9.649 6.292 1.00 35.30 N ATOM 3014 NH2 ARG B 42 -3.843 -7.639 5.456 1.00 36.39 N ATOM 0 H ARG B 42 -0.062 -13.636 1.539 1.00 5.73 H new ATOM 0 HA ARG B 42 -3.042 -13.325 1.683 1.00 6.97 H new ATOM 0 HB2 ARG B 42 -1.631 -13.173 3.684 1.00 13.23 H new ATOM 0 HB3 ARG B 42 -0.570 -12.023 2.895 1.00 13.23 H new ATOM 0 HG2 ARG B 42 -2.563 -10.412 2.799 1.00 21.27 H new ATOM 0 HG3 ARG B 42 -3.429 -11.540 3.822 1.00 21.27 H new ATOM 0 HD2 ARG B 42 -1.993 -11.165 5.687 1.00 26.14 H new ATOM 0 HD3 ARG B 42 -0.687 -10.556 4.689 1.00 26.14 H new ATOM 0 HE ARG B 42 -1.647 -8.408 4.716 1.00 32.26 H new ATOM 0 HH11 ARG B 42 -3.849 -10.616 6.430 1.00 35.30 H new ATOM 0 HH12 ARG B 42 -5.017 -9.318 6.699 1.00 35.30 H new ATOM 0 HH21 ARG B 42 -3.308 -6.962 4.912 1.00 36.39 H new ATOM 0 HH22 ARG B 42 -4.726 -7.364 5.886 1.00 36.39 H new ATOM 3028 N LEU B 43 -3.097 -12.092 -0.525 1.00 4.65 N ATOM 3029 CA LEU B 43 -3.297 -11.214 -1.718 1.00 3.51 C ATOM 3030 C LEU B 43 -4.333 -10.070 -1.457 1.00 5.56 C ATOM 3031 O LEU B 43 -5.439 -10.324 -0.974 1.00 4.19 O ATOM 3032 CB LEU B 43 -3.743 -12.132 -2.890 1.00 3.74 C ATOM 3033 CG LEU B 43 -2.628 -12.970 -3.570 1.00 6.32 C ATOM 3034 CD1 LEU B 43 -3.206 -14.235 -4.222 1.00 9.55 C ATOM 3035 CD2 LEU B 43 -1.887 -12.141 -4.635 1.00 6.41 C ATOM 0 H LEU B 43 -3.711 -12.907 -0.510 1.00 4.65 H new ATOM 0 HA LEU B 43 -2.365 -10.703 -1.959 1.00 3.51 H new ATOM 0 HB2 LEU B 43 -4.506 -12.816 -2.518 1.00 3.74 H new ATOM 0 HB3 LEU B 43 -4.216 -11.511 -3.650 1.00 3.74 H new ATOM 0 HG LEU B 43 -1.923 -13.263 -2.792 1.00 6.32 H new ATOM 0 HD11 LEU B 43 -2.402 -14.803 -4.691 1.00 9.55 H new ATOM 0 HD12 LEU B 43 -3.688 -14.849 -3.461 1.00 9.55 H new ATOM 0 HD13 LEU B 43 -3.939 -13.952 -4.978 1.00 9.55 H new ATOM 0 HD21 LEU B 43 -1.111 -12.752 -5.096 1.00 6.41 H new ATOM 0 HD22 LEU B 43 -2.593 -11.814 -5.398 1.00 6.41 H new ATOM 0 HD23 LEU B 43 -1.432 -11.269 -4.165 1.00 6.41 H new ATOM 3047 N ILE B 44 -3.971 -8.820 -1.776 1.00 4.58 N ATOM 3048 CA ILE B 44 -4.782 -7.607 -1.428 1.00 5.55 C ATOM 3049 C ILE B 44 -5.112 -6.789 -2.732 1.00 5.46 C ATOM 3050 O ILE B 44 -4.231 -6.504 -3.552 1.00 6.04 O ATOM 3051 CB ILE B 44 -4.024 -6.766 -0.328 1.00 6.80 C ATOM 3052 CG1 ILE B 44 -3.675 -7.526 0.992 1.00 10.31 C ATOM 3053 CG2 ILE B 44 -4.736 -5.438 0.038 1.00 7.39 C ATOM 3054 CD1 ILE B 44 -4.856 -8.071 1.818 1.00 13.90 C ATOM 0 H ILE B 44 -3.112 -8.603 -2.282 1.00 4.58 H new ATOM 0 HA ILE B 44 -5.741 -7.895 -0.998 1.00 5.55 H new ATOM 0 HB ILE B 44 -3.082 -6.552 -0.833 1.00 6.80 H new ATOM 0 HG12 ILE B 44 -3.024 -8.363 0.739 1.00 10.31 H new ATOM 0 HG13 ILE B 44 -3.098 -6.854 1.628 1.00 10.31 H new ATOM 0 HG21 ILE B 44 -4.159 -4.913 0.799 1.00 7.39 H new ATOM 0 HG22 ILE B 44 -4.818 -4.812 -0.851 1.00 7.39 H new ATOM 0 HG23 ILE B 44 -5.733 -5.654 0.423 1.00 7.39 H new ATOM 0 HD11 ILE B 44 -4.476 -8.575 2.707 1.00 13.90 H new ATOM 0 HD12 ILE B 44 -5.502 -7.246 2.117 1.00 13.90 H new ATOM 0 HD13 ILE B 44 -5.426 -8.778 1.215 1.00 13.90 H new ATOM 3066 N PHE B 45 -6.382 -6.372 -2.907 1.00 6.75 N ATOM 3067 CA PHE B 45 -6.813 -5.537 -4.065 1.00 4.70 C ATOM 3068 C PHE B 45 -7.913 -4.482 -3.672 1.00 6.34 C ATOM 3069 O PHE B 45 -9.117 -4.772 -3.693 1.00 5.45 O ATOM 3070 CB PHE B 45 -7.244 -6.494 -5.215 1.00 5.51 C ATOM 3071 CG PHE B 45 -7.482 -5.792 -6.559 1.00 5.98 C ATOM 3072 CD1 PHE B 45 -6.394 -5.395 -7.342 1.00 6.86 C ATOM 3073 CD2 PHE B 45 -8.780 -5.484 -6.978 1.00 5.87 C ATOM 3074 CE1 PHE B 45 -6.601 -4.698 -8.528 1.00 6.68 C ATOM 3075 CE2 PHE B 45 -8.985 -4.778 -8.160 1.00 6.64 C ATOM 3076 CZ PHE B 45 -7.896 -4.389 -8.938 1.00 6.84 C ATOM 0 H PHE B 45 -7.138 -6.598 -2.260 1.00 6.75 H new ATOM 0 HA PHE B 45 -5.981 -4.926 -4.414 1.00 4.70 H new ATOM 0 HB2 PHE B 45 -6.476 -7.256 -5.346 1.00 5.51 H new ATOM 0 HB3 PHE B 45 -8.158 -7.010 -4.920 1.00 5.51 H new ATOM 0 HD1 PHE B 45 -5.389 -5.630 -7.025 1.00 6.86 H new ATOM 0 HD2 PHE B 45 -9.626 -5.795 -6.383 1.00 5.87 H new ATOM 0 HE1 PHE B 45 -5.757 -4.396 -9.131 1.00 6.68 H new ATOM 0 HE2 PHE B 45 -9.988 -4.532 -8.474 1.00 6.64 H new ATOM 0 HZ PHE B 45 -8.056 -3.848 -9.859 1.00 6.84 H new ATOM 3086 N ALA B 46 -7.485 -3.232 -3.387 1.00 6.53 N ATOM 3087 CA ALA B 46 -8.365 -2.022 -3.305 1.00 7.15 C ATOM 3088 C ALA B 46 -9.642 -2.115 -2.394 1.00 9.00 C ATOM 3089 O ALA B 46 -10.724 -2.505 -2.853 1.00 11.15 O ATOM 3090 CB ALA B 46 -8.650 -1.551 -4.749 1.00 8.99 C ATOM 0 H ALA B 46 -6.504 -3.021 -3.203 1.00 6.53 H new ATOM 0 HA ALA B 46 -7.812 -1.263 -2.752 1.00 7.15 H new ATOM 0 HB1 ALA B 46 -9.290 -0.669 -4.724 1.00 8.99 H new ATOM 0 HB2 ALA B 46 -7.710 -1.304 -5.243 1.00 8.99 H new ATOM 0 HB3 ALA B 46 -9.151 -2.347 -5.299 1.00 8.99 H new ATOM 3096 N GLY B 47 -9.504 -1.820 -1.090 1.00 9.35 N ATOM 3097 CA GLY B 47 -10.576 -2.112 -0.083 1.00 11.68 C ATOM 3098 C GLY B 47 -10.830 -3.580 0.367 1.00 11.14 C ATOM 3099 O GLY B 47 -11.780 -3.812 1.114 1.00 13.93 O ATOM 0 H GLY B 47 -8.671 -1.382 -0.696 1.00 9.35 H new ATOM 0 HA2 GLY B 47 -10.350 -1.531 0.811 1.00 11.68 H new ATOM 0 HA3 GLY B 47 -11.514 -1.727 -0.484 1.00 11.68 H new ATOM 3103 N LYS B 48 -10.084 -4.576 -0.145 1.00 10.47 N ATOM 3104 CA LYS B 48 -10.494 -6.011 -0.104 1.00 8.82 C ATOM 3105 C LYS B 48 -9.253 -6.965 -0.045 1.00 7.68 C ATOM 3106 O LYS B 48 -8.247 -6.752 -0.731 1.00 6.47 O ATOM 3107 CB LYS B 48 -11.338 -6.365 -1.375 1.00 9.74 C ATOM 3108 CG LYS B 48 -12.660 -5.578 -1.580 1.00 14.14 C ATOM 3109 CD LYS B 48 -13.470 -5.928 -2.848 1.00 16.32 C ATOM 3110 CE LYS B 48 -12.784 -5.795 -4.225 1.00 20.04 C ATOM 3111 NZ LYS B 48 -12.118 -4.482 -4.463 1.00 23.92 N ATOM 0 H LYS B 48 -9.184 -4.421 -0.598 1.00 10.47 H new ATOM 0 HA LYS B 48 -11.089 -6.153 0.798 1.00 8.82 H new ATOM 0 HB2 LYS B 48 -10.711 -6.210 -2.253 1.00 9.74 H new ATOM 0 HB3 LYS B 48 -11.578 -7.428 -1.338 1.00 9.74 H new ATOM 0 HG2 LYS B 48 -13.296 -5.743 -0.710 1.00 14.14 H new ATOM 0 HG3 LYS B 48 -12.425 -4.514 -1.606 1.00 14.14 H new ATOM 0 HD2 LYS B 48 -13.813 -6.958 -2.748 1.00 16.32 H new ATOM 0 HD3 LYS B 48 -14.358 -5.296 -2.858 1.00 16.32 H new ATOM 0 HE2 LYS B 48 -12.042 -6.587 -4.324 1.00 20.04 H new ATOM 0 HE3 LYS B 48 -13.529 -5.956 -5.004 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 -11.393 -4.589 -5.201 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 -12.825 -3.785 -4.771 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 -11.670 -4.155 -3.583 1.00 23.92 H new ATOM 3125 N GLN B 49 -9.375 -8.085 0.681 1.00 8.89 N ATOM 3126 CA GLN B 49 -8.515 -9.286 0.463 1.00 7.18 C ATOM 3127 C GLN B 49 -9.094 -10.226 -0.657 1.00 8.23 C ATOM 3128 O GLN B 49 -10.310 -10.286 -0.881 1.00 9.70 O ATOM 3129 CB GLN B 49 -8.349 -9.961 1.853 1.00 11.67 C ATOM 3130 CG GLN B 49 -7.342 -11.144 1.908 1.00 15.82 C ATOM 3131 CD GLN B 49 -6.836 -11.488 3.310 1.00 20.21 C ATOM 3132 OE1 GLN B 49 -5.929 -10.849 3.835 1.00 23.23 O ATOM 3133 NE2 GLN B 49 -7.374 -12.499 3.939 1.00 20.67 N ATOM 0 H GLN B 49 -10.059 -8.197 1.429 1.00 8.89 H new ATOM 0 HA GLN B 49 -7.531 -9.018 0.077 1.00 7.18 H new ATOM 0 HB2 GLN B 49 -8.032 -9.203 2.570 1.00 11.67 H new ATOM 0 HB3 GLN B 49 -9.324 -10.321 2.181 1.00 11.67 H new ATOM 0 HG2 GLN B 49 -7.817 -12.027 1.481 1.00 15.82 H new ATOM 0 HG3 GLN B 49 -6.487 -10.905 1.276 1.00 15.82 H new ATOM 0 HE21 GLN B 49 -8.128 -13.029 3.502 1.00 20.67 H new ATOM 0 HE22 GLN B 49 -7.040 -12.758 4.867 1.00 20.67 H new ATOM 3142 N LEU B 50 -8.216 -10.958 -1.366 1.00 6.51 N ATOM 3143 CA LEU B 50 -8.644 -12.035 -2.305 1.00 7.41 C ATOM 3144 C LEU B 50 -8.905 -13.371 -1.529 1.00 8.27 C ATOM 3145 O LEU B 50 -7.980 -14.125 -1.213 1.00 8.34 O ATOM 3146 CB LEU B 50 -7.641 -12.229 -3.482 1.00 7.13 C ATOM 3147 CG LEU B 50 -7.179 -11.003 -4.315 1.00 7.53 C ATOM 3148 CD1 LEU B 50 -6.381 -11.468 -5.546 1.00 8.14 C ATOM 3149 CD2 LEU B 50 -8.337 -10.128 -4.806 1.00 9.11 C ATOM 0 H LEU B 50 -7.205 -10.831 -1.313 1.00 6.51 H new ATOM 0 HA LEU B 50 -9.584 -11.721 -2.760 1.00 7.41 H new ATOM 0 HB2 LEU B 50 -6.747 -12.699 -3.072 1.00 7.13 H new ATOM 0 HB3 LEU B 50 -8.087 -12.943 -4.175 1.00 7.13 H new ATOM 0 HG LEU B 50 -6.564 -10.404 -3.643 1.00 7.53 H new ATOM 0 HD11 LEU B 50 -6.062 -10.599 -6.122 1.00 8.14 H new ATOM 0 HD12 LEU B 50 -5.505 -12.029 -5.221 1.00 8.14 H new ATOM 0 HD13 LEU B 50 -7.010 -12.105 -6.168 1.00 8.14 H new ATOM 0 HD21 LEU B 50 -7.942 -9.290 -5.381 1.00 9.11 H new ATOM 0 HD22 LEU B 50 -8.999 -10.721 -5.437 1.00 9.11 H new ATOM 0 HD23 LEU B 50 -8.895 -9.749 -3.950 1.00 9.11 H new ATOM 3161 N GLU B 51 -10.179 -13.621 -1.209 1.00 9.43 N ATOM 3162 CA GLU B 51 -10.652 -14.881 -0.568 1.00 11.90 C ATOM 3163 C GLU B 51 -10.503 -16.131 -1.518 1.00 11.49 C ATOM 3164 O GLU B 51 -10.795 -16.052 -2.716 1.00 9.88 O ATOM 3165 CB GLU B 51 -12.111 -14.530 -0.151 1.00 16.56 C ATOM 3166 CG GLU B 51 -12.909 -15.562 0.685 1.00 26.06 C ATOM 3167 CD GLU B 51 -14.378 -15.194 0.805 1.00 29.86 C ATOM 3168 OE1 GLU B 51 -14.726 -14.199 1.470 1.00 33.44 O ATOM 3169 OE2 GLU B 51 -15.211 -15.852 0.153 1.00 32.13 O ATOM 0 H GLU B 51 -10.930 -12.954 -1.385 1.00 9.43 H new ATOM 0 HA GLU B 51 -10.061 -15.194 0.293 1.00 11.90 H new ATOM 0 HB2 GLU B 51 -12.079 -13.599 0.414 1.00 16.56 H new ATOM 0 HB3 GLU B 51 -12.677 -14.331 -1.061 1.00 16.56 H new ATOM 0 HG2 GLU B 51 -12.820 -16.546 0.225 1.00 26.06 H new ATOM 0 HG3 GLU B 51 -12.472 -15.635 1.681 1.00 26.06 H new ATOM 3176 N ASP B 52 -9.994 -17.260 -0.996 1.00 12.71 N ATOM 3177 CA ASP B 52 -9.439 -18.369 -1.836 1.00 16.56 C ATOM 3178 C ASP B 52 -10.409 -19.128 -2.821 1.00 15.83 C ATOM 3179 O ASP B 52 -10.061 -19.317 -3.991 1.00 17.21 O ATOM 3180 CB ASP B 52 -8.681 -19.337 -0.882 1.00 21.05 C ATOM 3181 CG ASP B 52 -7.320 -18.879 -0.353 1.00 25.12 C ATOM 3182 OD1 ASP B 52 -7.116 -17.697 -0.013 1.00 28.37 O ATOM 3183 OD2 ASP B 52 -6.406 -19.729 -0.262 1.00 25.82 O ATOM 0 H ASP B 52 -9.949 -17.442 0.007 1.00 12.71 H new ATOM 0 HA ASP B 52 -8.781 -17.890 -2.561 1.00 16.56 H new ATOM 0 HB2 ASP B 52 -9.325 -19.540 -0.026 1.00 21.05 H new ATOM 0 HB3 ASP B 52 -8.539 -20.283 -1.405 1.00 21.05 H new ATOM 3188 N GLY B 53 -11.618 -19.554 -2.405 1.00 15.00 N ATOM 3189 CA GLY B 53 -12.586 -20.239 -3.326 1.00 11.77 C ATOM 3190 C GLY B 53 -13.518 -19.328 -4.166 1.00 11.10 C ATOM 3191 O GLY B 53 -14.737 -19.345 -3.984 1.00 11.25 O ATOM 0 H GLY B 53 -11.958 -19.444 -1.450 1.00 15.00 H new ATOM 0 HA2 GLY B 53 -12.016 -20.866 -4.012 1.00 11.77 H new ATOM 0 HA3 GLY B 53 -13.210 -20.904 -2.729 1.00 11.77 H new ATOM 3195 N ARG B 54 -12.936 -18.531 -5.072 1.00 8.53 N ATOM 3196 CA ARG B 54 -13.625 -17.369 -5.722 1.00 9.05 C ATOM 3197 C ARG B 54 -13.196 -17.153 -7.217 1.00 8.96 C ATOM 3198 O ARG B 54 -12.230 -17.748 -7.702 1.00 11.60 O ATOM 3199 CB ARG B 54 -13.278 -16.108 -4.873 1.00 7.97 C ATOM 3200 CG ARG B 54 -14.049 -15.941 -3.540 1.00 9.62 C ATOM 3201 CD ARG B 54 -15.293 -15.057 -3.689 1.00 12.20 C ATOM 3202 NE ARG B 54 -15.810 -14.743 -2.333 1.00 18.23 N ATOM 3203 CZ ARG B 54 -16.487 -13.658 -2.011 1.00 22.08 C ATOM 3204 NH1 ARG B 54 -17.031 -12.853 -2.883 1.00 23.38 N ATOM 3205 NH2 ARG B 54 -16.612 -13.392 -0.752 1.00 25.50 N ATOM 0 H ARG B 54 -11.974 -18.660 -5.386 1.00 8.53 H new ATOM 0 HA ARG B 54 -14.698 -17.561 -5.751 1.00 9.05 H new ATOM 0 HB2 ARG B 54 -12.211 -16.129 -4.650 1.00 7.97 H new ATOM 0 HB3 ARG B 54 -13.458 -15.224 -5.485 1.00 7.97 H new ATOM 0 HG2 ARG B 54 -14.347 -16.922 -3.171 1.00 9.62 H new ATOM 0 HG3 ARG B 54 -13.386 -15.506 -2.792 1.00 9.62 H new ATOM 0 HD2 ARG B 54 -15.044 -14.139 -4.222 1.00 12.20 H new ATOM 0 HD3 ARG B 54 -16.055 -15.570 -4.276 1.00 12.20 H new ATOM 0 HE ARG B 54 -15.627 -15.420 -1.592 1.00 18.23 H new ATOM 0 HH11 ARG B 54 -16.945 -13.048 -3.880 1.00 23.38 H new ATOM 0 HH12 ARG B 54 -17.542 -12.029 -2.567 1.00 23.38 H new ATOM 0 HH21 ARG B 54 -16.195 -14.011 -0.056 1.00 25.50 H new ATOM 0 HH22 ARG B 54 -17.127 -12.563 -0.454 1.00 25.50 H new ATOM 3219 N THR B 55 -13.878 -16.249 -7.944 1.00 9.05 N ATOM 3220 CA THR B 55 -13.421 -15.759 -9.287 1.00 9.03 C ATOM 3221 C THR B 55 -12.536 -14.463 -9.194 1.00 8.15 C ATOM 3222 O THR B 55 -12.613 -13.699 -8.227 1.00 5.91 O ATOM 3223 CB THR B 55 -14.650 -15.498 -10.226 1.00 11.15 C ATOM 3224 OG1 THR B 55 -15.432 -14.382 -9.797 1.00 11.95 O ATOM 3225 CG2 THR B 55 -15.612 -16.674 -10.448 1.00 11.71 C ATOM 0 H THR B 55 -14.755 -15.832 -7.633 1.00 9.05 H new ATOM 0 HA THR B 55 -12.798 -16.548 -9.709 1.00 9.03 H new ATOM 0 HB THR B 55 -14.157 -15.307 -11.179 1.00 11.15 H new ATOM 0 HG1 THR B 55 -15.496 -14.384 -8.819 1.00 11.95 H new ATOM 0 HG21 THR B 55 -16.417 -16.365 -11.115 1.00 11.71 H new ATOM 0 HG22 THR B 55 -15.071 -17.508 -10.895 1.00 11.71 H new ATOM 0 HG23 THR B 55 -16.032 -16.986 -9.492 1.00 11.71 H new ATOM 3233 N LEU B 56 -11.784 -14.128 -10.257 1.00 6.91 N ATOM 3234 CA LEU B 56 -11.350 -12.715 -10.521 1.00 8.29 C ATOM 3235 C LEU B 56 -12.506 -11.651 -10.685 1.00 8.05 C ATOM 3236 O LEU B 56 -12.369 -10.516 -10.212 1.00 10.17 O ATOM 3237 CB LEU B 56 -10.423 -12.684 -11.771 1.00 6.60 C ATOM 3238 CG LEU B 56 -9.022 -13.336 -11.668 1.00 7.73 C ATOM 3239 CD1 LEU B 56 -8.367 -13.327 -13.055 1.00 9.85 C ATOM 3240 CD2 LEU B 56 -8.083 -12.618 -10.690 1.00 8.64 C ATOM 0 H LEU B 56 -11.458 -14.800 -10.952 1.00 6.91 H new ATOM 0 HA LEU B 56 -10.824 -12.409 -9.617 1.00 8.29 H new ATOM 0 HB2 LEU B 56 -10.955 -13.168 -12.590 1.00 6.60 H new ATOM 0 HB3 LEU B 56 -10.283 -11.641 -12.054 1.00 6.60 H new ATOM 0 HG LEU B 56 -9.174 -14.347 -11.291 1.00 7.73 H new ATOM 0 HD11 LEU B 56 -7.379 -13.784 -12.994 1.00 9.85 H new ATOM 0 HD12 LEU B 56 -8.985 -13.891 -13.753 1.00 9.85 H new ATOM 0 HD13 LEU B 56 -8.270 -12.299 -13.405 1.00 9.85 H new ATOM 0 HD21 LEU B 56 -7.120 -13.129 -10.669 1.00 8.64 H new ATOM 0 HD22 LEU B 56 -7.940 -11.587 -11.014 1.00 8.64 H new ATOM 0 HD23 LEU B 56 -8.521 -12.627 -9.692 1.00 8.64 H new ATOM 3252 N SER B 57 -13.626 -12.006 -11.350 1.00 8.92 N ATOM 3253 CA SER B 57 -14.839 -11.141 -11.473 1.00 9.00 C ATOM 3254 C SER B 57 -15.536 -10.612 -10.169 1.00 9.44 C ATOM 3255 O SER B 57 -15.971 -9.456 -10.160 1.00 10.91 O ATOM 3256 CB SER B 57 -15.825 -11.841 -12.440 1.00 10.32 C ATOM 3257 OG SER B 57 -16.459 -12.999 -11.885 1.00 13.59 O ATOM 0 H SER B 57 -13.724 -12.905 -11.823 1.00 8.92 H new ATOM 0 HA SER B 57 -14.471 -10.193 -11.866 1.00 9.00 H new ATOM 0 HB2 SER B 57 -16.592 -11.127 -12.740 1.00 10.32 H new ATOM 0 HB3 SER B 57 -15.288 -12.131 -13.343 1.00 10.32 H new ATOM 0 HG SER B 57 -15.937 -13.324 -11.122 1.00 13.59 H new ATOM 3263 N ASP B 58 -15.565 -11.386 -9.062 1.00 9.11 N ATOM 3264 CA ASP B 58 -15.893 -10.888 -7.684 1.00 7.91 C ATOM 3265 C ASP B 58 -15.270 -9.515 -7.219 1.00 9.12 C ATOM 3266 O ASP B 58 -15.875 -8.758 -6.454 1.00 8.61 O ATOM 3267 CB ASP B 58 -15.421 -11.980 -6.676 1.00 8.41 C ATOM 3268 CG ASP B 58 -16.252 -13.242 -6.558 1.00 11.50 C ATOM 3269 OD1 ASP B 58 -15.994 -14.213 -7.302 1.00 10.05 O ATOM 3270 OD2 ASP B 58 -17.106 -13.302 -5.649 1.00 11.70 O ATOM 0 H ASP B 58 -15.361 -12.385 -9.087 1.00 9.11 H new ATOM 0 HA ASP B 58 -16.966 -10.698 -7.711 1.00 7.91 H new ATOM 0 HB2 ASP B 58 -14.407 -12.272 -6.949 1.00 8.41 H new ATOM 0 HB3 ASP B 58 -15.366 -11.522 -5.688 1.00 8.41 H new ATOM 3275 N TYR B 59 -14.022 -9.236 -7.623 1.00 7.97 N ATOM 3276 CA TYR B 59 -13.192 -8.144 -7.041 1.00 8.45 C ATOM 3277 C TYR B 59 -13.051 -6.830 -7.895 1.00 10.98 C ATOM 3278 O TYR B 59 -12.397 -5.884 -7.438 1.00 12.95 O ATOM 3279 CB TYR B 59 -11.802 -8.759 -6.693 1.00 7.94 C ATOM 3280 CG TYR B 59 -11.813 -9.954 -5.717 1.00 6.91 C ATOM 3281 CD1 TYR B 59 -12.081 -9.776 -4.355 1.00 6.98 C ATOM 3282 CD2 TYR B 59 -11.681 -11.252 -6.225 1.00 4.59 C ATOM 3283 CE1 TYR B 59 -12.242 -10.880 -3.523 1.00 6.52 C ATOM 3284 CE2 TYR B 59 -11.835 -12.352 -5.387 1.00 5.39 C ATOM 3285 CZ TYR B 59 -12.122 -12.163 -4.043 1.00 6.76 C ATOM 3286 OH TYR B 59 -12.306 -13.232 -3.221 1.00 7.63 O ATOM 0 H TYR B 59 -13.549 -9.755 -8.363 1.00 7.97 H new ATOM 0 HA TYR B 59 -13.719 -7.781 -6.159 1.00 8.45 H new ATOM 0 HB2 TYR B 59 -11.326 -9.078 -7.620 1.00 7.94 H new ATOM 0 HB3 TYR B 59 -11.177 -7.974 -6.267 1.00 7.94 H new ATOM 0 HD1 TYR B 59 -12.163 -8.779 -3.948 1.00 6.98 H new ATOM 0 HD2 TYR B 59 -11.459 -11.400 -7.271 1.00 4.59 H new ATOM 0 HE1 TYR B 59 -12.460 -10.740 -2.475 1.00 6.52 H new ATOM 0 HE2 TYR B 59 -11.731 -13.352 -5.782 1.00 5.39 H new ATOM 0 HH TYR B 59 -13.252 -13.294 -2.972 1.00 7.63 H new ATOM 3296 N ASN B 60 -13.634 -6.762 -9.111 1.00 12.38 N ATOM 3297 CA ASN B 60 -13.283 -5.770 -10.174 1.00 13.94 C ATOM 3298 C ASN B 60 -11.766 -5.741 -10.606 1.00 14.16 C ATOM 3299 O ASN B 60 -11.143 -4.680 -10.693 1.00 14.26 O ATOM 3300 CB ASN B 60 -13.948 -4.399 -9.849 1.00 19.23 C ATOM 3301 CG ASN B 60 -14.005 -3.397 -11.005 1.00 22.65 C ATOM 3302 OD1 ASN B 60 -13.193 -2.488 -11.119 1.00 25.45 O ATOM 3303 ND2 ASN B 60 -14.957 -3.509 -11.895 1.00 24.09 N ATOM 0 H ASN B 60 -14.376 -7.402 -9.396 1.00 12.38 H new ATOM 0 HA ASN B 60 -13.719 -6.112 -11.113 1.00 13.94 H new ATOM 0 HB2 ASN B 60 -14.965 -4.583 -9.501 1.00 19.23 H new ATOM 0 HB3 ASN B 60 -13.406 -3.941 -9.022 1.00 19.23 H new ATOM 0 HD21 ASN B 60 -15.014 -2.845 -12.667 1.00 24.09 H new ATOM 0 HD22 ASN B 60 -15.643 -4.260 -11.817 1.00 24.09 H new ATOM 3310 N ILE B 61 -11.179 -6.911 -10.924 1.00 11.08 N ATOM 3311 CA ILE B 61 -9.767 -7.004 -11.410 1.00 11.78 C ATOM 3312 C ILE B 61 -9.776 -6.818 -12.965 1.00 13.74 C ATOM 3313 O ILE B 61 -10.023 -7.752 -13.735 1.00 14.60 O ATOM 3314 CB ILE B 61 -9.078 -8.312 -10.878 1.00 11.80 C ATOM 3315 CG1 ILE B 61 -8.925 -8.324 -9.326 1.00 11.56 C ATOM 3316 CG2 ILE B 61 -7.672 -8.526 -11.496 1.00 13.29 C ATOM 3317 CD1 ILE B 61 -8.787 -9.722 -8.701 1.00 11.42 C ATOM 0 H ILE B 61 -11.652 -7.812 -10.857 1.00 11.08 H new ATOM 0 HA ILE B 61 -9.142 -6.207 -11.007 1.00 11.78 H new ATOM 0 HB ILE B 61 -9.744 -9.120 -11.181 1.00 11.80 H new ATOM 0 HG12 ILE B 61 -8.049 -7.733 -9.057 1.00 11.56 H new ATOM 0 HG13 ILE B 61 -9.791 -7.829 -8.886 1.00 11.56 H new ATOM 0 HG21 ILE B 61 -7.235 -9.442 -11.098 1.00 13.29 H new ATOM 0 HG22 ILE B 61 -7.759 -8.606 -12.580 1.00 13.29 H new ATOM 0 HG23 ILE B 61 -7.032 -7.680 -11.245 1.00 13.29 H new ATOM 0 HD11 ILE B 61 -8.686 -9.629 -7.620 1.00 11.42 H new ATOM 0 HD12 ILE B 61 -9.673 -10.313 -8.933 1.00 11.42 H new ATOM 0 HD13 ILE B 61 -7.904 -10.216 -9.107 1.00 11.42 H new ATOM 3329 N GLN B 62 -9.521 -5.580 -13.409 1.00 13.97 N ATOM 3330 CA GLN B 62 -9.501 -5.215 -14.852 1.00 15.52 C ATOM 3331 C GLN B 62 -8.125 -5.538 -15.536 1.00 13.94 C ATOM 3332 O GLN B 62 -7.114 -5.787 -14.868 1.00 12.15 O ATOM 3333 CB GLN B 62 -9.906 -3.714 -14.937 1.00 19.53 C ATOM 3334 CG GLN B 62 -11.382 -3.403 -14.547 1.00 26.38 C ATOM 3335 CD GLN B 62 -11.776 -1.934 -14.693 1.00 30.61 C ATOM 3336 OE1 GLN B 62 -12.012 -1.432 -15.784 1.00 33.23 O ATOM 3337 NE2 GLN B 62 -11.888 -1.197 -13.618 1.00 32.71 N ATOM 0 H GLN B 62 -9.322 -4.796 -12.787 1.00 13.97 H new ATOM 0 HA GLN B 62 -10.211 -5.819 -15.416 1.00 15.52 H new ATOM 0 HB2 GLN B 62 -9.246 -3.139 -14.287 1.00 19.53 H new ATOM 0 HB3 GLN B 62 -9.735 -3.365 -15.955 1.00 19.53 H new ATOM 0 HG2 GLN B 62 -12.044 -4.008 -15.167 1.00 26.38 H new ATOM 0 HG3 GLN B 62 -11.545 -3.709 -13.514 1.00 26.38 H new ATOM 0 HE21 GLN B 62 -11.695 -1.600 -12.701 1.00 32.71 H new ATOM 0 HE22 GLN B 62 -12.168 -0.219 -13.697 1.00 32.71 H new ATOM 3346 N LYS B 63 -8.072 -5.540 -16.881 1.00 11.73 N ATOM 3347 CA LYS B 63 -6.839 -5.928 -17.630 1.00 11.97 C ATOM 3348 C LYS B 63 -5.542 -5.106 -17.306 1.00 10.41 C ATOM 3349 O LYS B 63 -5.593 -3.885 -17.134 1.00 9.59 O ATOM 3350 CB LYS B 63 -7.146 -6.025 -19.146 1.00 13.73 C ATOM 3351 CG LYS B 63 -7.375 -4.724 -19.952 1.00 16.98 C ATOM 3352 CD LYS B 63 -7.553 -4.972 -21.472 1.00 20.19 C ATOM 3353 CE LYS B 63 -6.261 -5.104 -22.313 1.00 23.42 C ATOM 3354 NZ LYS B 63 -5.544 -6.390 -22.086 1.00 25.97 N ATOM 0 H LYS B 63 -8.858 -5.281 -17.478 1.00 11.73 H new ATOM 0 HA LYS B 63 -6.569 -6.917 -17.259 1.00 11.97 H new ATOM 0 HB2 LYS B 63 -6.321 -6.561 -19.615 1.00 13.73 H new ATOM 0 HB3 LYS B 63 -8.035 -6.644 -19.262 1.00 13.73 H new ATOM 0 HG2 LYS B 63 -8.259 -4.216 -19.567 1.00 16.98 H new ATOM 0 HG3 LYS B 63 -6.530 -4.054 -19.796 1.00 16.98 H new ATOM 0 HD2 LYS B 63 -8.137 -5.883 -21.601 1.00 20.19 H new ATOM 0 HD3 LYS B 63 -8.144 -4.153 -21.883 1.00 20.19 H new ATOM 0 HE2 LYS B 63 -6.512 -5.017 -23.370 1.00 23.42 H new ATOM 0 HE3 LYS B 63 -5.593 -4.276 -22.075 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 -4.944 -6.603 -22.908 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 -4.951 -6.311 -21.235 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 -6.236 -7.155 -21.956 1.00 25.97 H new ATOM 3368 N GLU B 64 -4.409 -5.811 -17.144 1.00 10.04 N ATOM 3369 CA GLU B 64 -3.110 -5.218 -16.699 1.00 10.94 C ATOM 3370 C GLU B 64 -3.073 -4.503 -15.284 1.00 9.74 C ATOM 3371 O GLU B 64 -2.235 -3.635 -15.025 1.00 9.42 O ATOM 3372 CB GLU B 64 -2.446 -4.467 -17.897 1.00 18.31 C ATOM 3373 CG GLU B 64 -1.997 -5.332 -19.120 1.00 24.16 C ATOM 3374 CD GLU B 64 -3.066 -5.759 -20.114 1.00 29.00 C ATOM 3375 OE1 GLU B 64 -3.322 -5.021 -21.082 1.00 31.72 O ATOM 3376 OE2 GLU B 64 -3.674 -6.846 -19.967 1.00 32.61 O ATOM 0 H GLU B 64 -4.355 -6.815 -17.316 1.00 10.04 H new ATOM 0 HA GLU B 64 -2.458 -6.049 -16.432 1.00 10.94 H new ATOM 0 HB2 GLU B 64 -3.148 -3.714 -18.255 1.00 18.31 H new ATOM 0 HB3 GLU B 64 -1.572 -3.935 -17.520 1.00 18.31 H new ATOM 0 HG2 GLU B 64 -1.236 -4.773 -19.665 1.00 24.16 H new ATOM 0 HG3 GLU B 64 -1.517 -6.232 -18.736 1.00 24.16 H new ATOM 3383 N SER B 65 -3.926 -4.931 -14.329 1.00 6.85 N ATOM 3384 CA SER B 65 -3.986 -4.362 -12.951 1.00 6.90 C ATOM 3385 C SER B 65 -2.943 -4.977 -11.956 1.00 4.72 C ATOM 3386 O SER B 65 -2.502 -6.121 -12.100 1.00 3.91 O ATOM 3387 CB SER B 65 -5.426 -4.560 -12.413 1.00 7.28 C ATOM 3388 OG SER B 65 -6.382 -3.801 -13.154 1.00 10.56 O ATOM 0 H SER B 65 -4.597 -5.683 -14.485 1.00 6.85 H new ATOM 0 HA SER B 65 -3.724 -3.306 -13.019 1.00 6.90 H new ATOM 0 HB2 SER B 65 -5.688 -5.617 -12.459 1.00 7.28 H new ATOM 0 HB3 SER B 65 -5.465 -4.267 -11.364 1.00 7.28 H new ATOM 0 HG SER B 65 -6.670 -4.314 -13.938 1.00 10.56 H new ATOM 3394 N THR B 66 -2.564 -4.215 -10.912 1.00 4.48 N ATOM 3395 CA THR B 66 -1.574 -4.678 -9.889 1.00 3.80 C ATOM 3396 C THR B 66 -2.257 -5.421 -8.686 1.00 4.60 C ATOM 3397 O THR B 66 -2.962 -4.806 -7.878 1.00 5.33 O ATOM 3398 CB THR B 66 -0.697 -3.470 -9.435 1.00 2.85 C ATOM 3399 OG1 THR B 66 -0.049 -2.877 -10.556 1.00 2.15 O ATOM 3400 CG2 THR B 66 0.445 -3.836 -8.474 1.00 3.40 C ATOM 0 H THR B 66 -2.922 -3.275 -10.745 1.00 4.48 H new ATOM 0 HA THR B 66 -0.922 -5.423 -10.345 1.00 3.80 H new ATOM 0 HB THR B 66 -1.403 -2.809 -8.933 1.00 2.85 H new ATOM 0 HG1 THR B 66 0.496 -2.120 -10.256 1.00 2.15 H new ATOM 0 HG21 THR B 66 1.002 -2.937 -8.211 1.00 3.40 H new ATOM 0 HG22 THR B 66 0.031 -4.283 -7.570 1.00 3.40 H new ATOM 0 HG23 THR B 66 1.114 -4.548 -8.958 1.00 3.40 H new ATOM 3408 N LEU B 67 -1.988 -6.729 -8.534 1.00 4.17 N ATOM 3409 CA LEU B 67 -2.353 -7.498 -7.308 1.00 3.85 C ATOM 3410 C LEU B 67 -1.223 -7.393 -6.229 1.00 3.80 C ATOM 3411 O LEU B 67 -0.058 -7.700 -6.505 1.00 5.54 O ATOM 3412 CB LEU B 67 -2.616 -8.995 -7.650 1.00 7.18 C ATOM 3413 CG LEU B 67 -3.700 -9.368 -8.696 1.00 9.67 C ATOM 3414 CD1 LEU B 67 -3.886 -10.896 -8.724 1.00 8.12 C ATOM 3415 CD2 LEU B 67 -5.056 -8.694 -8.437 1.00 11.66 C ATOM 0 H LEU B 67 -1.516 -7.289 -9.244 1.00 4.17 H new ATOM 0 HA LEU B 67 -3.268 -7.064 -6.904 1.00 3.85 H new ATOM 0 HB2 LEU B 67 -1.673 -9.421 -7.993 1.00 7.18 H new ATOM 0 HB3 LEU B 67 -2.874 -9.501 -6.720 1.00 7.18 H new ATOM 0 HG LEU B 67 -3.344 -9.002 -9.659 1.00 9.67 H new ATOM 0 HD11 LEU B 67 -4.648 -11.156 -9.459 1.00 8.12 H new ATOM 0 HD12 LEU B 67 -2.943 -11.372 -8.994 1.00 8.12 H new ATOM 0 HD13 LEU B 67 -4.199 -11.243 -7.739 1.00 8.12 H new ATOM 0 HD21 LEU B 67 -5.766 -8.999 -9.205 1.00 11.66 H new ATOM 0 HD22 LEU B 67 -5.430 -8.993 -7.458 1.00 11.66 H new ATOM 0 HD23 LEU B 67 -4.935 -7.611 -8.464 1.00 11.66 H new ATOM 3427 N HIS B 68 -1.549 -6.972 -4.997 1.00 2.94 N ATOM 3428 CA HIS B 68 -0.526 -6.738 -3.934 1.00 4.17 C ATOM 3429 C HIS B 68 -0.335 -8.002 -3.036 1.00 5.32 C ATOM 3430 O HIS B 68 -1.086 -8.245 -2.086 1.00 7.70 O ATOM 3431 CB HIS B 68 -0.889 -5.454 -3.139 1.00 5.57 C ATOM 3432 CG HIS B 68 -0.706 -4.152 -3.920 1.00 9.95 C ATOM 3433 ND1 HIS B 68 0.502 -3.470 -4.015 1.00 13.74 N ATOM 3434 CD2 HIS B 68 -1.698 -3.529 -4.697 1.00 12.79 C ATOM 3435 CE1 HIS B 68 0.106 -2.454 -4.854 1.00 14.75 C ATOM 3436 NE2 HIS B 68 -1.181 -2.406 -5.313 1.00 16.30 N ATOM 0 H HIS B 68 -2.507 -6.784 -4.701 1.00 2.94 H new ATOM 0 HA HIS B 68 0.448 -6.568 -4.393 1.00 4.17 H new ATOM 0 HB2 HIS B 68 -1.927 -5.525 -2.813 1.00 5.57 H new ATOM 0 HB3 HIS B 68 -0.275 -5.413 -2.240 1.00 5.57 H new ATOM 0 HD2 HIS B 68 -2.715 -3.877 -4.798 1.00 12.79 H new ATOM 0 HE1 HIS B 68 0.813 -1.693 -5.150 1.00 14.75 H new ATOM 0 HE2 HIS B 68 -1.631 -1.733 -5.933 1.00 16.30 H new ATOM 3444 N LEU B 69 0.693 -8.805 -3.346 1.00 5.29 N ATOM 3445 CA LEU B 69 1.027 -10.043 -2.596 1.00 3.97 C ATOM 3446 C LEU B 69 1.867 -9.745 -1.308 1.00 5.07 C ATOM 3447 O LEU B 69 3.041 -9.368 -1.376 1.00 4.34 O ATOM 3448 CB LEU B 69 1.734 -10.983 -3.618 1.00 6.08 C ATOM 3449 CG LEU B 69 2.244 -12.346 -3.095 1.00 7.37 C ATOM 3450 CD1 LEU B 69 1.117 -13.262 -2.614 1.00 6.87 C ATOM 3451 CD2 LEU B 69 3.040 -13.079 -4.183 1.00 9.96 C ATOM 0 H LEU B 69 1.324 -8.621 -4.126 1.00 5.29 H new ATOM 0 HA LEU B 69 0.136 -10.532 -2.202 1.00 3.97 H new ATOM 0 HB2 LEU B 69 1.040 -11.174 -4.436 1.00 6.08 H new ATOM 0 HB3 LEU B 69 2.583 -10.445 -4.040 1.00 6.08 H new ATOM 0 HG LEU B 69 2.882 -12.119 -2.241 1.00 7.37 H new ATOM 0 HD11 LEU B 69 1.539 -14.202 -2.259 1.00 6.87 H new ATOM 0 HD12 LEU B 69 0.576 -12.777 -1.801 1.00 6.87 H new ATOM 0 HD13 LEU B 69 0.432 -13.460 -3.438 1.00 6.87 H new ATOM 0 HD21 LEU B 69 3.390 -14.036 -3.795 1.00 9.96 H new ATOM 0 HD22 LEU B 69 2.400 -13.250 -5.049 1.00 9.96 H new ATOM 0 HD23 LEU B 69 3.896 -12.472 -4.479 1.00 9.96 H new ATOM 3463 N VAL B 70 1.256 -9.947 -0.132 1.00 4.29 N ATOM 3464 CA VAL B 70 1.955 -9.882 1.186 1.00 6.26 C ATOM 3465 C VAL B 70 2.347 -11.341 1.613 1.00 9.22 C ATOM 3466 O VAL B 70 1.490 -12.220 1.732 1.00 9.36 O ATOM 3467 CB VAL B 70 1.059 -9.144 2.247 1.00 8.69 C ATOM 3468 CG1 VAL B 70 1.698 -9.060 3.654 1.00 9.76 C ATOM 3469 CG2 VAL B 70 0.700 -7.688 1.863 1.00 8.54 C ATOM 0 H VAL B 70 0.262 -10.161 -0.054 1.00 4.29 H new ATOM 0 HA VAL B 70 2.871 -9.296 1.112 1.00 6.26 H new ATOM 0 HB VAL B 70 0.166 -9.769 2.263 1.00 8.69 H new ATOM 0 HG11 VAL B 70 1.021 -8.538 4.330 1.00 9.76 H new ATOM 0 HG12 VAL B 70 1.882 -10.066 4.031 1.00 9.76 H new ATOM 0 HG13 VAL B 70 2.641 -8.517 3.593 1.00 9.76 H new ATOM 0 HG21 VAL B 70 0.081 -7.248 2.645 1.00 8.54 H new ATOM 0 HG22 VAL B 70 1.614 -7.105 1.753 1.00 8.54 H new ATOM 0 HG23 VAL B 70 0.152 -7.685 0.921 1.00 8.54 H new ATOM 3479 N LEU B 71 3.633 -11.591 1.894 1.00 12.71 N ATOM 3480 CA LEU B 71 4.107 -12.898 2.440 1.00 16.06 C ATOM 3481 C LEU B 71 3.896 -12.953 3.995 1.00 18.09 C ATOM 3482 O LEU B 71 4.703 -12.423 4.761 1.00 19.26 O ATOM 3483 CB LEU B 71 5.582 -13.133 2.001 1.00 17.10 C ATOM 3484 CG LEU B 71 5.830 -13.766 0.605 1.00 19.37 C ATOM 3485 CD1 LEU B 71 5.301 -12.916 -0.560 1.00 17.51 C ATOM 3486 CD2 LEU B 71 7.334 -14.008 0.392 1.00 19.57 C ATOM 0 H LEU B 71 4.378 -10.909 1.756 1.00 12.71 H new ATOM 0 HA LEU B 71 3.517 -13.718 2.032 1.00 16.06 H new ATOM 0 HB2 LEU B 71 6.097 -12.173 2.030 1.00 17.10 H new ATOM 0 HB3 LEU B 71 6.056 -13.771 2.747 1.00 17.10 H new ATOM 0 HG LEU B 71 5.277 -14.705 0.602 1.00 19.37 H new ATOM 0 HD11 LEU B 71 5.510 -13.421 -1.503 1.00 17.51 H new ATOM 0 HD12 LEU B 71 4.225 -12.780 -0.452 1.00 17.51 H new ATOM 0 HD13 LEU B 71 5.792 -11.943 -0.553 1.00 17.51 H new ATOM 0 HD21 LEU B 71 7.496 -14.452 -0.590 1.00 19.57 H new ATOM 0 HD22 LEU B 71 7.867 -13.059 0.454 1.00 19.57 H new ATOM 0 HD23 LEU B 71 7.706 -14.684 1.162 1.00 19.57 H new ATOM 3498 N ARG B 72 2.785 -13.556 4.440 1.00 21.47 N ATOM 3499 CA ARG B 72 2.378 -13.605 5.877 1.00 25.83 C ATOM 3500 C ARG B 72 2.674 -15.006 6.507 1.00 27.74 C ATOM 3501 O ARG B 72 2.080 -16.015 6.111 1.00 30.65 O ATOM 3502 CB ARG B 72 0.865 -13.259 5.884 1.00 28.49 C ATOM 3503 CG ARG B 72 0.210 -13.125 7.290 1.00 31.79 C ATOM 3504 CD ARG B 72 -1.264 -13.571 7.324 1.00 34.05 C ATOM 3505 NE ARG B 72 -1.316 -15.056 7.257 1.00 35.08 N ATOM 3506 CZ ARG B 72 -2.332 -15.757 6.768 1.00 34.67 C ATOM 3507 NH1 ARG B 72 -3.535 -15.277 6.592 1.00 35.02 N ATOM 3508 NH2 ARG B 72 -2.113 -16.988 6.436 1.00 34.97 N ATOM 0 H ARG B 72 2.130 -14.031 3.819 1.00 21.47 H new ATOM 0 HA ARG B 72 2.943 -12.901 6.487 1.00 25.83 H new ATOM 0 HB2 ARG B 72 0.723 -12.322 5.346 1.00 28.49 H new ATOM 0 HB3 ARG B 72 0.332 -14.030 5.327 1.00 28.49 H new ATOM 0 HG2 ARG B 72 0.778 -13.720 8.005 1.00 31.79 H new ATOM 0 HG3 ARG B 72 0.275 -12.087 7.615 1.00 31.79 H new ATOM 0 HD2 ARG B 72 -1.745 -13.217 8.236 1.00 34.05 H new ATOM 0 HD3 ARG B 72 -1.810 -13.136 6.487 1.00 34.05 H new ATOM 0 HE ARG B 72 -0.512 -15.574 7.613 1.00 35.08 H new ATOM 0 HH11 ARG B 72 -3.738 -14.308 6.836 1.00 35.02 H new ATOM 0 HH12 ARG B 72 -4.271 -15.872 6.211 1.00 35.02 H new ATOM 0 HH21 ARG B 72 -1.183 -17.390 6.553 1.00 34.97 H new ATOM 0 HH22 ARG B 72 -2.870 -17.556 6.057 1.00 34.97 H new ATOM 3522 N LEU B 73 3.567 -15.068 7.500 0.45 28.93 N ATOM 3523 CA LEU B 73 4.019 -16.349 8.108 0.45 30.76 C ATOM 3524 C LEU B 73 3.090 -16.738 9.323 0.45 32.18 C ATOM 3525 O LEU B 73 1.856 -16.690 9.212 0.45 32.31 O ATOM 3526 CB LEU B 73 5.562 -16.231 8.367 0.45 30.53 C ATOM 3527 CG LEU B 73 6.510 -16.158 7.133 0.45 30.16 C ATOM 3528 CD1 LEU B 73 6.698 -14.720 6.612 0.45 29.57 C ATOM 3529 CD2 LEU B 73 7.899 -16.730 7.465 0.45 29.11 C ATOM 0 H LEU B 73 4.002 -14.243 7.912 0.45 28.93 H new ATOM 0 HA LEU B 73 3.905 -17.211 7.450 0.45 30.76 H new ATOM 0 HB2 LEU B 73 5.731 -15.339 8.971 0.45 30.53 H new ATOM 0 HB3 LEU B 73 5.865 -17.087 8.970 0.45 30.53 H new ATOM 0 HG LEU B 73 6.028 -16.754 6.358 0.45 30.16 H new ATOM 0 HD11 LEU B 73 7.368 -14.729 5.752 0.45 29.57 H new ATOM 0 HD12 LEU B 73 5.732 -14.311 6.315 0.45 29.57 H new ATOM 0 HD13 LEU B 73 7.127 -14.101 7.400 0.45 29.57 H new ATOM 0 HD21 LEU B 73 8.539 -16.666 6.585 0.45 29.11 H new ATOM 0 HD22 LEU B 73 8.343 -16.157 8.279 0.45 29.11 H new ATOM 0 HD23 LEU B 73 7.800 -17.773 7.767 0.45 29.11 H new ATOM 3541 N ARG B 74 3.639 -17.189 10.466 0.45 33.82 N ATOM 3542 CA ARG B 74 2.857 -17.331 11.729 0.45 35.33 C ATOM 3543 C ARG B 74 3.761 -17.198 13.006 0.45 36.22 C ATOM 3544 O ARG B 74 3.847 -18.131 13.815 0.45 36.70 O ATOM 3545 CB ARG B 74 2.042 -18.671 11.681 0.45 36.91 C ATOM 3546 CG ARG B 74 0.696 -18.629 12.447 0.45 38.62 C ATOM 3547 CD ARG B 74 -0.451 -17.934 11.677 0.45 39.75 C ATOM 3548 NE ARG B 74 -1.256 -18.886 10.855 0.45 41.13 N ATOM 3549 CZ ARG B 74 -1.061 -19.172 9.574 0.45 41.91 C ATOM 3550 NH1 ARG B 74 -0.125 -18.667 8.834 0.45 42.75 N ATOM 3551 NH2 ARG B 74 -1.851 -20.022 9.014 0.45 41.93 N ATOM 0 H ARG B 74 4.618 -17.463 10.551 0.45 33.82 H new ATOM 0 HA ARG B 74 2.148 -16.507 11.807 0.45 35.33 H new ATOM 0 HB2 ARG B 74 1.846 -18.926 10.639 0.45 36.91 H new ATOM 0 HB3 ARG B 74 2.656 -19.471 12.094 0.45 36.91 H new ATOM 0 HG2 ARG B 74 0.394 -19.649 12.684 0.45 38.62 H new ATOM 0 HG3 ARG B 74 0.847 -18.113 13.395 0.45 38.62 H new ATOM 0 HD2 ARG B 74 -1.107 -17.430 12.387 0.45 39.75 H new ATOM 0 HD3 ARG B 74 -0.033 -17.164 11.028 0.45 39.75 H new ATOM 0 HE ARG B 74 -2.028 -19.361 11.322 0.45 41.13 H new ATOM 0 HH11 ARG B 74 0.532 -17.995 9.230 0.45 42.75 H new ATOM 0 HH12 ARG B 74 -0.045 -18.942 7.855 0.45 42.75 H new ATOM 0 HH21 ARG B 74 -2.601 -20.454 9.554 0.45 41.93 H new ATOM 0 HH22 ARG B 74 -1.727 -20.263 8.031 0.45 41.93 H new ATOM 3565 N GLY B 75 4.447 -16.058 13.212 0.25 36.31 N ATOM 3566 CA GLY B 75 5.465 -15.959 14.304 0.25 36.07 C ATOM 3567 C GLY B 75 6.145 -14.597 14.526 0.25 36.16 C ATOM 3568 O GLY B 75 6.002 -14.005 15.598 0.25 36.26 O ATOM 0 H GLY B 75 4.329 -15.208 12.660 0.25 36.31 H new ATOM 0 HA2 GLY B 75 4.984 -16.250 15.238 0.25 36.07 H new ATOM 0 HA3 GLY B 75 6.244 -16.694 14.104 0.25 36.07 H new ATOM 3572 N GLY B 76 6.919 -14.123 13.544 0.25 36.05 N ATOM 3573 CA GLY B 76 7.616 -12.815 13.637 0.25 36.19 C ATOM 3574 C GLY B 76 6.711 -11.622 13.326 0.25 36.20 C ATOM 3575 O GLY B 76 6.484 -11.336 12.152 0.25 36.13 O ATOM 0 H GLY B 76 7.085 -14.620 12.669 0.25 36.05 H new ATOM 0 HA2 GLY B 76 8.025 -12.700 14.641 0.25 36.19 H new ATOM 0 HA3 GLY B 76 8.460 -12.811 12.947 0.25 36.19 H new TER 3579 GLY B 76 END