USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1134 hydrogens (14 hets) HEADER CELL ADHESION 18-SEP-00 1E8B TITLE SOLUTION STRUCTURE OF 6F11F22F2, A COMPACT THREE-MODULE TITLE 2 FRAGMENT OF THE GELATIN-BINDING DOMAIN OF HUMAN FIBRONECTIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: FIBRONECTIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: FN, COLD-INSOLUBLE GLOBULIN, CIG, COMPND 5 FRAGMENT: 6F11F22F2, RESIDUES 305-464; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELLULAR_LOCATION: EXTRACELLULAR; SOURCE 6 EXPRESSION_SYSTEM: PICHIA PASTORIS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4922; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: GS115; SOURCE 9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: SECRETED; SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: INTEGRATED PLASMID; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PPIC9K KEYWDS EXTRACELLULAR MATRIX GLYCOPROTEIN, CELL ADHESION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR A.R.PICKFORD,S.P.SMITH,D.STAUNTON,J.BOYD,I.D.CAMPBELL REVDAT 5 28-NOV-12 1E8B 1 REMARK SEQADV REVDAT 4 26-OCT-11 1E8B 1 HEADER COMPND KEYWDS REMARK REVDAT 4 2 HETSYN VERSN REVDAT 3 24-FEB-09 1E8B 1 VERSN REVDAT 2 25-MAY-01 1E8B 1 JRNL REVDAT 1 15-OCT-00 1E8B 0 JRNL AUTH A.R.PICKFORD,S.P.SMITH,D.STAUNTON,J.BOYD, JRNL AUTH 2 I.D.CAMPBELL JRNL TITL THE HAIRPIN STRUCTURE OF THE (6)F1(1)F2(2)F2 JRNL TITL 2 FRAGMENT FROM HUMAN FIBRONECTIN ENHANCES GELATIN JRNL TITL 3 BINDING JRNL REF EMBO J. V. 20 1519 2001 JRNL REFN ISSN 0261-4189 JRNL PMID 11285216 JRNL DOI 10.1093/EMBOJ/20.7.1519 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 0.9 REMARK 3 AUTHORS : BRUNGER ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1E8B COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 19-SEP-00. REMARK 100 THE PDBE ID CODE IS EBI-5375. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2MM 6F11F22F2, REMARK 210 20MM PHOSPHATE BUFFER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D [1H-1H] NOESY REMARK 210 (60MS MIXIMG TIME), REMARK 210 3D [1H-15N] NOESY REMARK 210 (60MS MIXING TIME), REMARK 210 HMQC-J. REMARK 210 SPECTROMETER FIELD STRENGTH : 750 REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : HOME-BUILT SPECTROMETER REMARK 210 INCORPORATING OXFORD REMARK 210 INSTRUMENTS MAGNET REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 2.3, NMRVIEW, CNS REMARK 210 METHOD USED : AB INITIO SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : NULL REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED BY HETERONUCLEAR NMR REMARK 210 SPECTROSCOPY ON UNIFORMLY 15N-LABELED 6F11F22F2. 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 HIS A 3 160.09 54.61 REMARK 500 ASP A 7 -91.52 64.64 REMARK 500 SER A 8 30.74 -152.36 REMARK 500 SER A 13 159.87 -43.26 REMARK 500 VAL A 14 173.91 -50.47 REMARK 500 TRP A 18 129.31 -170.20 REMARK 500 LEU A 32 24.08 -143.18 REMARK 500 GLU A 40 158.20 -36.33 REMARK 500 THR A 41 62.20 -64.89 REMARK 500 VAL A 43 -178.35 -47.65 REMARK 500 GLN A 45 68.63 -63.11 REMARK 500 TYR A 47 149.45 -175.70 REMARK 500 ASN A 50 32.83 -89.68 REMARK 500 SER A 51 12.11 -142.27 REMARK 500 GLU A 54 -174.39 -61.96 REMARK 500 VAL A 57 66.99 -154.50 REMARK 500 ASN A 63 -11.32 76.28 REMARK 500 THR A 84 30.15 -95.53 REMARK 500 THR A 85 131.93 -172.88 REMARK 500 TYR A 88 -74.33 -45.09 REMARK 500 ASP A 99 39.34 33.00 REMARK 500 HIS A 100 43.96 33.54 REMARK 500 THR A 101 47.93 28.64 REMARK 500 VAL A 102 149.22 -38.88 REMARK 500 ASN A 110 16.52 -148.24 REMARK 500 ASN A 112 89.32 44.31 REMARK 500 LEU A 115 84.31 -64.89 REMARK 500 ASN A 124 24.99 48.48 REMARK 500 ASN A 126 142.67 -34.88 REMARK 500 ASP A 129 139.53 166.95 REMARK 500 CYS A 130 86.41 -49.14 REMARK 500 SER A 132 53.83 -109.75 REMARK 500 ASN A 138 91.16 -41.07 REMARK 500 MET A 139 54.16 -164.46 REMARK 500 LYS A 140 142.60 -36.36 REMARK 500 PRO A 158 -176.27 -53.73 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 161 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1E88 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF 6F11F22F2, A COMPACT THREE-MODULE REMARK 900 FRAGMENT OF THE GELATIN-BINDING DOMAIN OF HUMAN REMARK 900 FIBRONECTIN DBREF 1E8B A 1 160 UNP P02751 FINC_HUMAN 305 464 SEQRES 1 A 160 TYR GLY HIS CYS VAL THR ASP SER GLY VAL VAL TYR SER SEQRES 2 A 160 VAL GLY MET GLN TRP LEU LYS THR GLN GLY ASN LYS GLN SEQRES 3 A 160 MET LEU CYS THR CYS LEU GLY ASN GLY VAL SER CYS GLN SEQRES 4 A 160 GLU THR ALA VAL THR GLN THR TYR GLY GLY ASN SER ASN SEQRES 5 A 160 GLY GLU PRO CYS VAL LEU PRO PHE THR TYR ASN GLY ARG SEQRES 6 A 160 THR PHE TYR SER CYS THR THR GLU GLY ARG GLN ASP GLY SEQRES 7 A 160 HIS LEU TRP CYS SER THR THR SER ASN TYR GLU GLN ASP SEQRES 8 A 160 GLN LYS TYR SER PHE CYS THR ASP HIS THR VAL LEU VAL SEQRES 9 A 160 GLN THR ARG GLY GLY ASN SER ASN GLY ALA LEU CYS HIS SEQRES 10 A 160 PHE PRO PHE LEU TYR ASN ASN HIS ASN TYR THR ASP CYS SEQRES 11 A 160 THR SER GLU GLY ARG ARG ASP ASN MET LYS TRP CYS GLY SEQRES 12 A 160 THR THR GLN ASN TYR ASP ALA ASP GLN LYS PHE GLY PHE SEQRES 13 A 160 CYS PRO MET ALA HET NAG A 161 28 HETNAM NAG N-ACETYL-D-GLUCOSAMINE FORMUL 2 NAG C8 H15 N O6 HELIX 1 1 ASN A 87 GLN A 92 1 6 HELIX 2 2 ASN A 147 GLN A 152 1 6 SHEET 1 A 2 CYS A 4 THR A 6 0 SHEET 2 A 2 VAL A 10 TYR A 12 -1 N TYR A 12 O CYS A 4 SHEET 1 B 3 MET A 16 THR A 21 0 SHEET 2 B 3 GLN A 26 CYS A 31 -1 N CYS A 31 O MET A 16 SHEET 3 B 3 VAL A 36 GLU A 40 -1 N GLN A 39 O LEU A 28 SHEET 1 C 2 PHE A 60 TYR A 62 0 SHEET 2 C 2 ARG A 65 PHE A 67 -1 N PHE A 67 O PHE A 60 SHEET 1 D 2 TRP A 81 SER A 83 0 SHEET 2 D 2 TYR A 94 PHE A 96 -1 N SER A 95 O CYS A 82 SHEET 1 E 2 PHE A 120 TYR A 122 0 SHEET 2 E 2 HIS A 125 TYR A 127 -1 N TYR A 127 O PHE A 120 SHEET 1 F 2 TRP A 141 GLY A 143 0 SHEET 2 F 2 PHE A 154 PHE A 156 -1 N GLY A 155 O CYS A 142 SSBOND *** CYS A 4 CYS A 31 1555 1555 2.03 SSBOND *** CYS A 29 CYS A 38 1555 1555 2.03 SSBOND *** CYS A 56 CYS A 82 1555 1555 2.03 SSBOND *** CYS A 70 CYS A 97 1555 1555 2.03 SSBOND *** CYS A 116 CYS A 142 1555 1555 2.03 SSBOND *** CYS A 130 CYS A 157 1555 1555 2.03 LINK ND2 ASN A 126 C1 NAG A 161 1555 1555 1.45 CISPEP 1 LEU A 58 PRO A 59 0 0.00 CISPEP 2 PHE A 118 PRO A 119 0 -0.04 SITE *** AC1 2 ASN A 124 ASN A 126 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 NoAdj-H: A 126 ASNHD21 : A 126 ASN ND2 : A 161 NAG C1 :(H bumps) USER MOD Set 1.1: A 146 GLN : amide:sc= -3.05 K(o=-11,f=-12!) USER MOD Set 1.2: A 147 ASN : amide:sc= -8.39! C(o=-11!,f=-12!) USER MOD Set 2.1: A 88 TYR OH : rot 134:sc= 0.273 USER MOD Set 2.2: A 92 GLN : amide:sc= -0.418 X(o=-0.14,f=0.27) USER MOD Set 3.1: A 51 SER OG : rot -48:sc= -0.446 USER MOD Set 3.2: A 84 THR OG1 : rot -130:sc= -5.93! USER MOD Set 4.1: A 47 TYR OH : rot 37:sc= -4.79! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -2.26! C(o=-7!,f=-10!) USER MOD Set 5.1: A 50 ASN :FLIP amide:sc= -3.54! C(o=-5.7!,f=-3.2!) USER MOD Set 5.2: A 94 TYR OH : rot -132:sc= 0.363 USER MOD Set 6.1: A 16 MET CE :methyl 170:sc= -12.1! (180deg=-9.81!) USER MOD Set 6.2: A 144 THR OG1 : rot -72:sc= -1.38! USER MOD Set 7.1: A 13 SER OG : rot -130:sc= -2.63! USER MOD Set 7.2: A 153 LYS NZ :NH3+ -153:sc= 0.887 (180deg=-0.0396) USER MOD Single : A 1 TYR N :NH3+ 153:sc= 1.3 (180deg=1.13) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -8.28! C(o=-12!,f=-8.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -5:sc= -2.79! USER MOD Single : A 17 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0233) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 22 GLN : amide:sc= -1.04 K(o=-1,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 0.947 (180deg=0.101) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -151:sc= -1.06 (180deg=-2.86!) USER MOD Single : A 30 THR OG1 : rot 140:sc= -7.35! USER MOD Single : A 34 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= -0.122 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 41 THR OG1 : rot 69:sc= 1.05 USER MOD Single : A 44 THR OG1 : rot 81:sc= -4.97! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 46 THR OG1 : rot 113:sc= 0.305! USER MOD Single : A 52 ASN : amide:sc= -1.36! C(o=-1.4!,f=-1.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -6.11! C(o=-6.9!,f=-6.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 150:sc=-0.00812 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 76 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.04) USER MOD Single : A 83 SER OG : rot -49:sc= -3.6! USER MOD Single : A 85 THR OG1 : rot 110:sc= -0.0862 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0665 K(o=-0.066,f=-2.2) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 3:sc= -0.776 USER MOD Single : A 98 THR OG1 : rot 91:sc= 0.954 USER MOD Single : A 100 HIS :FLIP no HD1:sc= -11.8! C(o=-13!,f=-12!) USER MOD Single : A 101 THR OG1 : rot -56:sc= 0.0304 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.489 F(o=-4!,f=-0.49) USER MOD Single : A 106 THR OG1 : rot 36:sc= -0.741! USER MOD Single : A 110 ASN :FLIP amide:sc= -0.702 F(o=-1.4,f=-0.7) USER MOD Single : A 111 SER OG : rot -100:sc= -0.334 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -1.65 F(o=-4.6!,f=-1.6) USER MOD Single : A 122 TYR OH : rot -65:sc= 0.0481 USER MOD Single : A 123 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.26) USER MOD Single : A 124 ASN :FLIP amide:sc= -3.59! C(o=-4.1!,f=-3.6!) USER MOD Single : A 125 HIS : no HD1:sc= -0.052 X(o=-0.052,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.2) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 163:sc= -1.84 (180deg=-3.01!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.297 USER MOD Single : A 148 TYR OH : rot 46:sc= 0.119 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 MET CE :methyl -168:sc= -8.12! (180deg=-8.85!) USER MOD Single : A 161 NAG O3 : rot 148:sc= 0.0232 USER MOD Single : A 161 NAG O4 : rot 160:sc= 0.029 USER MOD Single : A 161 NAG O6 : rot 21:sc= 0.41 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 21.142 12.953 -8.928 1.00 3.90 N ATOM 2 CA TYR A 1 20.229 12.443 -9.984 1.00 3.18 C ATOM 3 C TYR A 1 19.333 11.332 -9.449 1.00 2.39 C ATOM 4 O TYR A 1 19.812 10.260 -9.075 1.00 2.81 O ATOM 5 CB TYR A 1 21.074 11.926 -11.150 1.00 3.55 C ATOM 6 CG TYR A 1 22.326 12.737 -11.398 1.00 3.90 C ATOM 7 CD1 TYR A 1 22.324 14.118 -11.250 1.00 4.40 C ATOM 8 CD2 TYR A 1 23.511 12.119 -11.779 1.00 4.31 C ATOM 9 CE1 TYR A 1 23.466 14.861 -11.476 1.00 5.17 C ATOM 10 CE2 TYR A 1 24.658 12.856 -12.006 1.00 5.03 C ATOM 11 CZ TYR A 1 24.630 14.226 -11.853 1.00 5.41 C ATOM 12 OH TYR A 1 25.771 14.963 -12.079 1.00 6.37 O ATOM 0 H1 TYR A 1 22.003 13.336 -9.369 1.00 3.90 H new ATOM 0 H2 TYR A 1 20.665 13.704 -8.389 1.00 3.90 H new ATOM 0 H3 TYR A 1 21.399 12.176 -8.286 1.00 3.90 H new ATOM 0 HA TYR A 1 19.581 13.253 -10.319 1.00 3.18 H new ATOM 0 HB2 TYR A 1 21.355 10.891 -10.953 1.00 3.55 H new ATOM 0 HB3 TYR A 1 20.467 11.925 -12.055 1.00 3.55 H new ATOM 0 HD1 TYR A 1 21.414 14.619 -10.953 1.00 4.40 H new ATOM 0 HD2 TYR A 1 23.536 11.046 -11.900 1.00 4.31 H new ATOM 0 HE1 TYR A 1 23.447 15.934 -11.358 1.00 5.17 H new ATOM 0 HE2 TYR A 1 25.571 12.361 -12.302 1.00 5.03 H new ATOM 0 HH TYR A 1 26.502 14.363 -12.336 1.00 6.37 H new ATOM 24 N GLY A 2 18.030 11.591 -9.415 1.00 1.83 N ATOM 25 CA GLY A 2 17.089 10.603 -8.924 1.00 1.36 C ATOM 26 C GLY A 2 16.872 10.702 -7.427 1.00 1.37 C ATOM 27 O GLY A 2 17.554 11.465 -6.743 1.00 2.30 O ATOM 0 H GLY A 2 17.609 12.469 -9.719 1.00 1.83 H new ATOM 0 HA2 GLY A 2 16.135 10.729 -9.435 1.00 1.36 H new ATOM 0 HA3 GLY A 2 17.453 9.605 -9.170 1.00 1.36 H new ATOM 31 N HIS A 3 15.918 9.930 -6.917 1.00 0.78 N ATOM 32 CA HIS A 3 15.611 9.934 -5.492 1.00 0.72 C ATOM 33 C HIS A 3 15.309 11.347 -5.005 1.00 0.68 C ATOM 34 O HIS A 3 15.679 12.328 -5.649 1.00 0.93 O ATOM 35 CB HIS A 3 16.779 9.346 -4.696 1.00 0.82 C ATOM 36 CG HIS A 3 17.861 10.335 -4.401 1.00 1.13 C ATOM 37 ND1 HIS A 3 17.821 11.525 -3.756 1.00 1.85 N flip ATOM 38 CD2 HIS A 3 19.174 10.154 -4.784 1.00 1.85 C flip ATOM 39 CE1 HIS A 3 19.096 12.034 -3.761 1.00 2.80 C flip ATOM 40 NE2 HIS A 3 19.894 11.189 -4.385 1.00 2.83 N flip ATOM 0 H HIS A 3 15.344 9.293 -7.470 1.00 0.78 H new ATOM 0 HA HIS A 3 14.726 9.318 -5.334 1.00 0.72 H new ATOM 0 HB2 HIS A 3 16.401 8.943 -3.757 1.00 0.82 H new ATOM 0 HB3 HIS A 3 17.204 8.511 -5.253 1.00 0.82 H new ATOM 0 HD2 HIS A 3 19.554 9.300 -5.325 1.00 1.85 H new ATOM 0 HE1 HIS A 3 19.397 12.975 -3.324 1.00 2.80 H new ATOM 0 HE2 HIS A 3 20.895 11.313 -4.534 1.00 2.83 H new ATOM 49 N CYS A 4 14.631 11.443 -3.865 1.00 0.57 N ATOM 50 CA CYS A 4 14.276 12.738 -3.295 1.00 0.55 C ATOM 51 C CYS A 4 14.400 12.718 -1.775 1.00 0.56 C ATOM 52 O CYS A 4 13.963 11.772 -1.119 1.00 0.70 O ATOM 53 CB CYS A 4 12.850 13.122 -3.696 1.00 0.63 C ATOM 54 SG CYS A 4 12.442 12.761 -5.435 1.00 0.99 S ATOM 0 H CYS A 4 14.317 10.641 -3.319 1.00 0.57 H new ATOM 0 HA CYS A 4 14.970 13.481 -3.688 1.00 0.55 H new ATOM 0 HB2 CYS A 4 12.148 12.592 -3.052 1.00 0.63 H new ATOM 0 HB3 CYS A 4 12.708 14.187 -3.514 1.00 0.63 H new ATOM 59 N VAL A 5 14.996 13.769 -1.220 1.00 0.68 N ATOM 60 CA VAL A 5 15.176 13.873 0.223 1.00 0.76 C ATOM 61 C VAL A 5 14.007 14.611 0.868 1.00 0.85 C ATOM 62 O VAL A 5 13.572 15.653 0.376 1.00 0.99 O ATOM 63 CB VAL A 5 16.486 14.602 0.577 1.00 0.91 C ATOM 64 CG1 VAL A 5 17.094 14.020 1.845 1.00 1.74 C ATOM 65 CG2 VAL A 5 17.473 14.525 -0.578 1.00 1.41 C ATOM 0 H VAL A 5 15.362 14.561 -1.749 1.00 0.68 H new ATOM 0 HA VAL A 5 15.221 12.855 0.610 1.00 0.76 H new ATOM 0 HB VAL A 5 16.257 15.652 0.758 1.00 0.91 H new ATOM 0 HG11 VAL A 5 18.019 14.547 2.080 1.00 1.74 H new ATOM 0 HG12 VAL A 5 16.392 14.134 2.671 1.00 1.74 H new ATOM 0 HG13 VAL A 5 17.308 12.962 1.694 1.00 1.74 H new ATOM 0 HG21 VAL A 5 18.391 15.046 -0.307 1.00 1.41 H new ATOM 0 HG22 VAL A 5 17.699 13.481 -0.795 1.00 1.41 H new ATOM 0 HG23 VAL A 5 17.037 14.993 -1.461 1.00 1.41 H new ATOM 75 N THR A 6 13.500 14.064 1.968 1.00 0.89 N ATOM 76 CA THR A 6 12.379 14.673 2.674 1.00 1.04 C ATOM 77 C THR A 6 12.455 14.403 4.173 1.00 1.33 C ATOM 78 O THR A 6 13.406 13.789 4.658 1.00 1.29 O ATOM 79 CB THR A 6 11.031 14.153 2.140 1.00 1.19 C ATOM 80 OG1 THR A 6 9.960 14.956 2.648 1.00 1.84 O ATOM 81 CG2 THR A 6 10.817 12.700 2.538 1.00 1.14 C ATOM 0 H THR A 6 13.847 13.202 2.389 1.00 0.89 H new ATOM 0 HA THR A 6 12.444 15.747 2.499 1.00 1.04 H new ATOM 0 HB THR A 6 11.046 14.217 1.052 1.00 1.19 H new ATOM 0 HG1 THR A 6 9.107 14.620 2.302 1.00 1.84 H new ATOM 0 HG21 THR A 6 9.859 12.354 2.150 1.00 1.14 H new ATOM 0 HG22 THR A 6 11.618 12.088 2.125 1.00 1.14 H new ATOM 0 HG23 THR A 6 10.820 12.616 3.625 1.00 1.14 H new ATOM 89 N ASP A 7 11.444 14.866 4.902 1.00 1.83 N ATOM 90 CA ASP A 7 11.390 14.676 6.347 1.00 2.33 C ATOM 91 C ASP A 7 12.532 15.416 7.036 1.00 2.10 C ATOM 92 O ASP A 7 12.403 16.589 7.386 1.00 2.38 O ATOM 93 CB ASP A 7 11.450 13.187 6.690 1.00 3.05 C ATOM 94 CG ASP A 7 10.071 12.573 6.842 1.00 3.56 C ATOM 95 OD1 ASP A 7 9.162 12.956 6.076 1.00 3.82 O ATOM 96 OD2 ASP A 7 9.901 11.708 7.727 1.00 4.12 O ATOM 0 H ASP A 7 10.650 15.376 4.515 1.00 1.83 H new ATOM 0 HA ASP A 7 10.446 15.086 6.707 1.00 2.33 H new ATOM 0 HB2 ASP A 7 11.996 12.659 5.909 1.00 3.05 H new ATOM 0 HB3 ASP A 7 12.009 13.052 7.616 1.00 3.05 H new ATOM 101 N SER A 8 13.650 14.723 7.228 1.00 2.19 N ATOM 102 CA SER A 8 14.815 15.314 7.874 1.00 2.80 C ATOM 103 C SER A 8 16.097 14.643 7.393 1.00 2.24 C ATOM 104 O SER A 8 17.076 14.548 8.133 1.00 2.73 O ATOM 105 CB SER A 8 14.700 15.192 9.394 1.00 3.72 C ATOM 106 OG SER A 8 14.846 16.453 10.021 1.00 4.51 O ATOM 0 H SER A 8 13.773 13.751 6.945 1.00 2.19 H new ATOM 0 HA SER A 8 14.854 16.370 7.606 1.00 2.80 H new ATOM 0 HB2 SER A 8 13.733 14.763 9.655 1.00 3.72 H new ATOM 0 HB3 SER A 8 15.463 14.508 9.765 1.00 3.72 H new ATOM 0 HG SER A 8 14.767 16.347 10.992 1.00 4.51 H new ATOM 112 N GLY A 9 16.081 14.178 6.148 1.00 1.44 N ATOM 113 CA GLY A 9 17.243 13.519 5.587 1.00 1.23 C ATOM 114 C GLY A 9 16.914 12.158 5.007 1.00 0.99 C ATOM 115 O GLY A 9 17.808 11.415 4.600 1.00 1.18 O ATOM 0 H GLY A 9 15.282 14.247 5.518 1.00 1.44 H new ATOM 0 HA2 GLY A 9 17.673 14.148 4.808 1.00 1.23 H new ATOM 0 HA3 GLY A 9 18.002 13.407 6.361 1.00 1.23 H new ATOM 119 N VAL A 10 15.626 11.829 4.969 1.00 0.72 N ATOM 120 CA VAL A 10 15.180 10.548 4.435 1.00 0.62 C ATOM 121 C VAL A 10 14.944 10.634 2.932 1.00 0.70 C ATOM 122 O VAL A 10 13.892 11.091 2.484 1.00 1.16 O ATOM 123 CB VAL A 10 13.887 10.071 5.121 1.00 0.70 C ATOM 124 CG1 VAL A 10 13.863 8.553 5.219 1.00 1.64 C ATOM 125 CG2 VAL A 10 13.746 10.703 6.496 1.00 0.88 C ATOM 0 H VAL A 10 14.874 12.432 5.302 1.00 0.72 H new ATOM 0 HA VAL A 10 15.973 9.828 4.636 1.00 0.62 H new ATOM 0 HB VAL A 10 13.039 10.387 4.514 1.00 0.70 H new ATOM 0 HG11 VAL A 10 12.942 8.234 5.707 1.00 1.64 H new ATOM 0 HG12 VAL A 10 13.912 8.123 4.219 1.00 1.64 H new ATOM 0 HG13 VAL A 10 14.719 8.212 5.802 1.00 1.64 H new ATOM 0 HG21 VAL A 10 12.826 10.353 6.965 1.00 0.88 H new ATOM 0 HG22 VAL A 10 14.598 10.422 7.115 1.00 0.88 H new ATOM 0 HG23 VAL A 10 13.713 11.788 6.396 1.00 0.88 H new ATOM 135 N VAL A 11 15.929 10.192 2.161 1.00 0.59 N ATOM 136 CA VAL A 11 15.833 10.217 0.707 1.00 0.64 C ATOM 137 C VAL A 11 15.252 8.911 0.176 1.00 0.63 C ATOM 138 O VAL A 11 15.750 7.827 0.482 1.00 1.03 O ATOM 139 CB VAL A 11 17.211 10.470 0.063 1.00 0.82 C ATOM 140 CG1 VAL A 11 18.293 9.705 0.809 1.00 1.07 C ATOM 141 CG2 VAL A 11 17.202 10.098 -1.414 1.00 0.97 C ATOM 0 H VAL A 11 16.805 9.811 2.519 1.00 0.59 H new ATOM 0 HA VAL A 11 15.165 11.036 0.439 1.00 0.64 H new ATOM 0 HB VAL A 11 17.431 11.535 0.135 1.00 0.82 H new ATOM 0 HG11 VAL A 11 19.260 9.894 0.342 1.00 1.07 H new ATOM 0 HG12 VAL A 11 18.321 10.034 1.848 1.00 1.07 H new ATOM 0 HG13 VAL A 11 18.075 8.638 0.772 1.00 1.07 H new ATOM 0 HG21 VAL A 11 18.186 10.287 -1.843 1.00 0.97 H new ATOM 0 HG22 VAL A 11 16.956 9.042 -1.522 1.00 0.97 H new ATOM 0 HG23 VAL A 11 16.458 10.699 -1.936 1.00 0.97 H new ATOM 151 N TYR A 12 14.194 9.024 -0.620 1.00 0.50 N ATOM 152 CA TYR A 12 13.539 7.856 -1.194 1.00 0.50 C ATOM 153 C TYR A 12 13.653 7.859 -2.715 1.00 0.56 C ATOM 154 O TYR A 12 13.072 8.711 -3.388 1.00 0.83 O ATOM 155 CB TYR A 12 12.068 7.820 -0.780 1.00 0.47 C ATOM 156 CG TYR A 12 11.865 7.812 0.718 1.00 0.41 C ATOM 157 CD1 TYR A 12 12.014 6.641 1.449 1.00 0.44 C ATOM 158 CD2 TYR A 12 11.527 8.974 1.400 1.00 0.41 C ATOM 159 CE1 TYR A 12 11.830 6.627 2.819 1.00 0.44 C ATOM 160 CE2 TYR A 12 11.343 8.968 2.769 1.00 0.40 C ATOM 161 CZ TYR A 12 11.495 7.793 3.474 1.00 0.40 C ATOM 162 OH TYR A 12 11.313 7.785 4.838 1.00 0.45 O ATOM 0 H TYR A 12 13.772 9.915 -0.882 1.00 0.50 H new ATOM 0 HA TYR A 12 14.039 6.965 -0.814 1.00 0.50 H new ATOM 0 HB2 TYR A 12 11.558 8.685 -1.204 1.00 0.47 H new ATOM 0 HB3 TYR A 12 11.600 6.933 -1.207 1.00 0.47 H new ATOM 0 HD1 TYR A 12 12.278 5.726 0.939 1.00 0.44 H new ATOM 0 HD2 TYR A 12 11.406 9.896 0.851 1.00 0.41 H new ATOM 0 HE1 TYR A 12 11.948 5.708 3.373 1.00 0.44 H new ATOM 0 HE2 TYR A 12 11.081 9.880 3.285 1.00 0.40 H new ATOM 0 HH TYR A 12 11.379 6.866 5.171 1.00 0.45 H new ATOM 172 N SER A 13 14.404 6.903 -3.250 1.00 0.54 N ATOM 173 CA SER A 13 14.593 6.796 -4.692 1.00 0.59 C ATOM 174 C SER A 13 13.276 7.005 -5.429 1.00 0.55 C ATOM 175 O SER A 13 12.199 6.866 -4.850 1.00 0.55 O ATOM 176 CB SER A 13 15.179 5.429 -5.050 1.00 0.68 C ATOM 177 OG SER A 13 16.564 5.374 -4.754 1.00 1.52 O ATOM 0 H SER A 13 14.892 6.191 -2.707 1.00 0.54 H new ATOM 0 HA SER A 13 15.290 7.575 -5.001 1.00 0.59 H new ATOM 0 HB2 SER A 13 14.655 4.649 -4.498 1.00 0.68 H new ATOM 0 HB3 SER A 13 15.022 5.229 -6.110 1.00 0.68 H new ATOM 0 HG SER A 13 17.052 5.034 -5.533 1.00 1.52 H new ATOM 183 N VAL A 14 13.374 7.341 -6.708 1.00 0.59 N ATOM 184 CA VAL A 14 12.198 7.573 -7.532 1.00 0.59 C ATOM 185 C VAL A 14 11.206 6.422 -7.416 1.00 0.58 C ATOM 186 O VAL A 14 11.490 5.408 -6.778 1.00 0.59 O ATOM 187 CB VAL A 14 12.593 7.769 -9.005 1.00 0.66 C ATOM 188 CG1 VAL A 14 13.824 8.655 -9.097 1.00 1.41 C ATOM 189 CG2 VAL A 14 12.837 6.429 -9.685 1.00 0.84 C ATOM 0 H VAL A 14 14.261 7.459 -7.198 1.00 0.59 H new ATOM 0 HA VAL A 14 11.719 8.482 -7.168 1.00 0.59 H new ATOM 0 HB VAL A 14 11.770 8.259 -9.525 1.00 0.66 H new ATOM 0 HG11 VAL A 14 14.098 8.789 -10.143 1.00 1.41 H new ATOM 0 HG12 VAL A 14 13.608 9.626 -8.651 1.00 1.41 H new ATOM 0 HG13 VAL A 14 14.650 8.186 -8.563 1.00 1.41 H new ATOM 0 HG21 VAL A 14 13.115 6.594 -10.726 1.00 0.84 H new ATOM 0 HG22 VAL A 14 13.643 5.903 -9.173 1.00 0.84 H new ATOM 0 HG23 VAL A 14 11.928 5.829 -9.643 1.00 0.84 H new ATOM 199 N GLY A 15 10.040 6.587 -8.029 1.00 0.63 N ATOM 200 CA GLY A 15 9.025 5.553 -7.971 1.00 0.70 C ATOM 201 C GLY A 15 8.945 4.914 -6.600 1.00 0.63 C ATOM 202 O GLY A 15 8.569 3.748 -6.470 1.00 0.74 O ATOM 0 H GLY A 15 9.780 7.416 -8.564 1.00 0.63 H new ATOM 0 HA2 GLY A 15 8.056 5.981 -8.229 1.00 0.70 H new ATOM 0 HA3 GLY A 15 9.244 4.788 -8.716 1.00 0.70 H new ATOM 206 N MET A 16 9.303 5.679 -5.572 1.00 0.49 N ATOM 207 CA MET A 16 9.275 5.179 -4.202 1.00 0.50 C ATOM 208 C MET A 16 8.317 5.995 -3.340 1.00 0.45 C ATOM 209 O MET A 16 8.478 7.207 -3.191 1.00 0.50 O ATOM 210 CB MET A 16 10.678 5.215 -3.595 1.00 0.59 C ATOM 211 CG MET A 16 10.836 4.328 -2.371 1.00 0.64 C ATOM 212 SD MET A 16 12.422 4.561 -1.543 1.00 0.96 S ATOM 213 CE MET A 16 12.947 2.862 -1.331 1.00 0.66 C ATOM 0 H MET A 16 9.615 6.646 -5.662 1.00 0.49 H new ATOM 0 HA MET A 16 8.922 4.148 -4.228 1.00 0.50 H new ATOM 0 HB2 MET A 16 11.400 4.907 -4.352 1.00 0.59 H new ATOM 0 HB3 MET A 16 10.920 6.242 -3.322 1.00 0.59 H new ATOM 0 HG2 MET A 16 10.030 4.538 -1.668 1.00 0.64 H new ATOM 0 HG3 MET A 16 10.736 3.284 -2.668 1.00 0.64 H new ATOM 0 HE1 MET A 16 13.984 2.841 -0.997 1.00 0.66 H new ATOM 0 HE2 MET A 16 12.316 2.376 -0.587 1.00 0.66 H new ATOM 0 HE3 MET A 16 12.861 2.333 -2.280 1.00 0.66 H new ATOM 223 N GLN A 17 7.319 5.324 -2.774 1.00 0.40 N ATOM 224 CA GLN A 17 6.334 5.986 -1.928 1.00 0.38 C ATOM 225 C GLN A 17 6.739 5.911 -0.459 1.00 0.38 C ATOM 226 O GLN A 17 7.584 5.101 -0.079 1.00 0.47 O ATOM 227 CB GLN A 17 4.955 5.352 -2.121 1.00 0.43 C ATOM 228 CG GLN A 17 4.800 4.629 -3.448 1.00 0.49 C ATOM 229 CD GLN A 17 3.415 4.039 -3.633 1.00 0.88 C ATOM 230 OE1 GLN A 17 2.558 4.154 -2.757 1.00 1.61 O ATOM 231 NE2 GLN A 17 3.189 3.404 -4.776 1.00 1.40 N ATOM 0 H GLN A 17 7.171 4.321 -2.886 1.00 0.40 H new ATOM 0 HA GLN A 17 6.288 7.035 -2.221 1.00 0.38 H new ATOM 0 HB2 GLN A 17 4.771 4.648 -1.309 1.00 0.43 H new ATOM 0 HB3 GLN A 17 4.194 6.129 -2.048 1.00 0.43 H new ATOM 0 HG2 GLN A 17 5.007 5.324 -4.262 1.00 0.49 H new ATOM 0 HG3 GLN A 17 5.542 3.833 -3.512 1.00 0.49 H new ATOM 0 HE21 GLN A 17 3.929 3.333 -5.475 1.00 1.40 H new ATOM 0 HE22 GLN A 17 2.276 2.987 -4.956 1.00 1.40 H new ATOM 240 N TRP A 18 6.129 6.760 0.361 1.00 0.37 N ATOM 241 CA TRP A 18 6.426 6.789 1.789 1.00 0.41 C ATOM 242 C TRP A 18 5.430 7.672 2.533 1.00 0.42 C ATOM 243 O TRP A 18 5.192 8.817 2.149 1.00 0.63 O ATOM 244 CB TRP A 18 7.850 7.294 2.025 1.00 0.44 C ATOM 245 CG TRP A 18 7.974 8.785 1.955 1.00 0.43 C ATOM 246 CD1 TRP A 18 7.728 9.676 2.960 1.00 0.54 C ATOM 247 CD2 TRP A 18 8.374 9.560 0.819 1.00 0.40 C ATOM 248 NE1 TRP A 18 7.951 10.958 2.518 1.00 0.57 N ATOM 249 CE2 TRP A 18 8.349 10.913 1.208 1.00 0.47 C ATOM 250 CE3 TRP A 18 8.752 9.242 -0.489 1.00 0.42 C ATOM 251 CZ2 TRP A 18 8.687 11.945 0.335 1.00 0.50 C ATOM 252 CZ3 TRP A 18 9.088 10.267 -1.353 1.00 0.47 C ATOM 253 CH2 TRP A 18 9.055 11.604 -0.938 1.00 0.48 C ATOM 0 H TRP A 18 5.427 7.437 0.062 1.00 0.37 H new ATOM 0 HA TRP A 18 6.341 5.773 2.174 1.00 0.41 H new ATOM 0 HB2 TRP A 18 8.190 6.955 3.003 1.00 0.44 H new ATOM 0 HB3 TRP A 18 8.513 6.847 1.284 1.00 0.44 H new ATOM 0 HD1 TRP A 18 7.405 9.412 3.956 1.00 0.54 H new ATOM 0 HE1 TRP A 18 7.838 11.805 3.075 1.00 0.57 H new ATOM 0 HE3 TRP A 18 8.781 8.214 -0.818 1.00 0.42 H new ATOM 0 HZ2 TRP A 18 8.660 12.977 0.652 1.00 0.50 H new ATOM 0 HZ3 TRP A 18 9.381 10.033 -2.366 1.00 0.47 H new ATOM 0 HH2 TRP A 18 9.325 12.382 -1.637 1.00 0.48 H new ATOM 264 N LEU A 19 4.850 7.131 3.599 1.00 0.49 N ATOM 265 CA LEU A 19 3.880 7.870 4.399 1.00 0.52 C ATOM 266 C LEU A 19 4.549 9.020 5.144 1.00 0.55 C ATOM 267 O LEU A 19 5.686 8.899 5.600 1.00 0.69 O ATOM 268 CB LEU A 19 3.190 6.935 5.394 1.00 0.69 C ATOM 269 CG LEU A 19 1.671 7.092 5.484 1.00 0.96 C ATOM 270 CD1 LEU A 19 1.065 7.218 4.094 1.00 1.42 C ATOM 271 CD2 LEU A 19 1.058 5.918 6.233 1.00 1.05 C ATOM 0 H LEU A 19 5.035 6.184 3.929 1.00 0.49 H new ATOM 0 HA LEU A 19 3.133 8.286 3.723 1.00 0.52 H new ATOM 0 HB2 LEU A 19 3.418 5.905 5.119 1.00 0.69 H new ATOM 0 HB3 LEU A 19 3.617 7.103 6.383 1.00 0.69 H new ATOM 0 HG LEU A 19 1.450 8.005 6.038 1.00 0.96 H new ATOM 0 HD11 LEU A 19 -0.016 7.329 4.177 1.00 1.42 H new ATOM 0 HD12 LEU A 19 1.482 8.092 3.593 1.00 1.42 H new ATOM 0 HD13 LEU A 19 1.295 6.324 3.515 1.00 1.42 H new ATOM 0 HD21 LEU A 19 -0.023 6.046 6.288 1.00 1.05 H new ATOM 0 HD22 LEU A 19 1.288 4.991 5.707 1.00 1.05 H new ATOM 0 HD23 LEU A 19 1.470 5.875 7.241 1.00 1.05 H new ATOM 283 N LYS A 20 3.836 10.135 5.265 1.00 0.58 N ATOM 284 CA LYS A 20 4.361 11.307 5.954 1.00 0.74 C ATOM 285 C LYS A 20 3.229 12.215 6.424 1.00 0.85 C ATOM 286 O LYS A 20 2.209 12.352 5.748 1.00 1.00 O ATOM 287 CB LYS A 20 5.307 12.085 5.037 1.00 0.85 C ATOM 288 CG LYS A 20 4.822 12.172 3.598 1.00 1.08 C ATOM 289 CD LYS A 20 4.744 13.614 3.124 1.00 1.95 C ATOM 290 CE LYS A 20 6.020 14.377 3.444 1.00 2.53 C ATOM 291 NZ LYS A 20 5.764 15.536 4.342 1.00 3.31 N ATOM 0 H LYS A 20 2.893 10.251 4.895 1.00 0.58 H new ATOM 0 HA LYS A 20 4.915 10.964 6.828 1.00 0.74 H new ATOM 0 HB2 LYS A 20 5.434 13.093 5.431 1.00 0.85 H new ATOM 0 HB3 LYS A 20 6.288 11.610 5.053 1.00 0.85 H new ATOM 0 HG2 LYS A 20 5.496 11.611 2.951 1.00 1.08 H new ATOM 0 HG3 LYS A 20 3.840 11.707 3.515 1.00 1.08 H new ATOM 0 HD2 LYS A 20 4.566 13.635 2.049 1.00 1.95 H new ATOM 0 HD3 LYS A 20 3.895 14.108 3.597 1.00 1.95 H new ATOM 0 HE2 LYS A 20 6.737 13.704 3.915 1.00 2.53 H new ATOM 0 HE3 LYS A 20 6.474 14.729 2.518 1.00 2.53 H new ATOM 0 HZ1 LYS A 20 6.458 16.286 4.147 1.00 3.31 H new ATOM 0 HZ2 LYS A 20 4.804 15.900 4.174 1.00 3.31 H new ATOM 0 HZ3 LYS A 20 5.851 15.233 5.333 1.00 3.31 H new ATOM 305 N THR A 21 3.416 12.832 7.586 1.00 1.23 N ATOM 306 CA THR A 21 2.410 13.726 8.146 1.00 1.41 C ATOM 307 C THR A 21 2.391 15.062 7.411 1.00 1.55 C ATOM 308 O THR A 21 3.392 15.778 7.378 1.00 1.93 O ATOM 309 CB THR A 21 2.657 13.982 9.644 1.00 1.70 C ATOM 310 OG1 THR A 21 3.888 13.372 10.050 1.00 2.34 O ATOM 311 CG2 THR A 21 1.513 13.434 10.483 1.00 2.17 C ATOM 0 H THR A 21 4.254 12.729 8.158 1.00 1.23 H new ATOM 0 HA THR A 21 1.446 13.232 8.023 1.00 1.41 H new ATOM 0 HB THR A 21 2.717 15.059 9.800 1.00 1.70 H new ATOM 0 HG1 THR A 21 4.038 13.541 11.004 1.00 2.34 H new ATOM 0 HG21 THR A 21 1.710 13.627 11.538 1.00 2.17 H new ATOM 0 HG22 THR A 21 0.583 13.922 10.193 1.00 2.17 H new ATOM 0 HG23 THR A 21 1.425 12.360 10.321 1.00 2.17 H new ATOM 319 N GLN A 22 1.245 15.392 6.823 1.00 1.42 N ATOM 320 CA GLN A 22 1.097 16.643 6.088 1.00 1.63 C ATOM 321 C GLN A 22 0.069 17.549 6.760 1.00 1.68 C ATOM 322 O GLN A 22 -0.827 18.081 6.104 1.00 1.81 O ATOM 323 CB GLN A 22 0.679 16.363 4.643 1.00 1.72 C ATOM 324 CG GLN A 22 1.254 17.352 3.642 1.00 2.25 C ATOM 325 CD GLN A 22 0.239 18.387 3.198 1.00 2.64 C ATOM 326 OE1 GLN A 22 -0.961 18.117 3.150 1.00 3.13 O ATOM 327 NE2 GLN A 22 0.718 19.582 2.869 1.00 3.12 N ATOM 0 H GLN A 22 0.407 14.811 6.841 1.00 1.42 H new ATOM 0 HA GLN A 22 2.061 17.153 6.088 1.00 1.63 H new ATOM 0 HB2 GLN A 22 0.996 15.356 4.370 1.00 1.72 H new ATOM 0 HB3 GLN A 22 -0.409 16.383 4.578 1.00 1.72 H new ATOM 0 HG2 GLN A 22 2.112 17.857 4.087 1.00 2.25 H new ATOM 0 HG3 GLN A 22 1.620 16.810 2.770 1.00 2.25 H new ATOM 0 HE21 GLN A 22 1.720 19.762 2.924 1.00 3.12 H new ATOM 0 HE22 GLN A 22 0.083 20.319 2.562 1.00 3.12 H new ATOM 336 N GLY A 23 0.206 17.721 8.070 1.00 1.70 N ATOM 337 CA GLY A 23 -0.716 18.563 8.808 1.00 1.82 C ATOM 338 C GLY A 23 -1.374 17.832 9.962 1.00 1.79 C ATOM 339 O GLY A 23 -0.874 17.856 11.087 1.00 1.92 O ATOM 0 H GLY A 23 0.940 17.292 8.634 1.00 1.70 H new ATOM 0 HA2 GLY A 23 -0.182 19.433 9.190 1.00 1.82 H new ATOM 0 HA3 GLY A 23 -1.486 18.934 8.131 1.00 1.82 H new ATOM 343 N ASN A 24 -2.497 17.178 9.683 1.00 1.70 N ATOM 344 CA ASN A 24 -3.225 16.437 10.706 1.00 1.72 C ATOM 345 C ASN A 24 -3.728 15.106 10.158 1.00 1.53 C ATOM 346 O ASN A 24 -4.759 14.594 10.594 1.00 1.58 O ATOM 347 CB ASN A 24 -4.401 17.265 11.227 1.00 1.87 C ATOM 348 CG ASN A 24 -4.416 17.361 12.740 1.00 2.12 C ATOM 349 OD1 ASN A 24 -3.514 16.863 13.414 1.00 2.74 O ATOM 350 ND2 ASN A 24 -5.444 18.003 13.282 1.00 2.58 N ATOM 0 H ASN A 24 -2.923 17.146 8.757 1.00 1.70 H new ATOM 0 HA ASN A 24 -2.540 16.235 11.529 1.00 1.72 H new ATOM 0 HB2 ASN A 24 -4.352 18.268 10.803 1.00 1.87 H new ATOM 0 HB3 ASN A 24 -5.335 16.820 10.885 1.00 1.87 H new ATOM 0 HD21 ASN A 24 -5.508 18.099 14.295 1.00 2.58 H new ATOM 0 HD22 ASN A 24 -6.169 18.400 12.685 1.00 2.58 H new ATOM 357 N LYS A 25 -2.995 14.551 9.199 1.00 1.39 N ATOM 358 CA LYS A 25 -3.367 13.278 8.592 1.00 1.26 C ATOM 359 C LYS A 25 -2.200 12.687 7.808 1.00 1.18 C ATOM 360 O LYS A 25 -1.206 13.366 7.549 1.00 1.28 O ATOM 361 CB LYS A 25 -4.573 13.463 7.670 1.00 1.17 C ATOM 362 CG LYS A 25 -4.836 14.913 7.294 1.00 1.62 C ATOM 363 CD LYS A 25 -5.814 15.020 6.137 1.00 1.96 C ATOM 364 CE LYS A 25 -6.989 15.922 6.481 1.00 2.51 C ATOM 365 NZ LYS A 25 -7.292 16.883 5.384 1.00 3.07 N ATOM 0 H LYS A 25 -2.140 14.963 8.825 1.00 1.39 H new ATOM 0 HA LYS A 25 -3.631 12.586 9.392 1.00 1.26 H new ATOM 0 HB2 LYS A 25 -4.416 12.883 6.760 1.00 1.17 H new ATOM 0 HB3 LYS A 25 -5.459 13.057 8.158 1.00 1.17 H new ATOM 0 HG2 LYS A 25 -5.232 15.448 8.157 1.00 1.62 H new ATOM 0 HG3 LYS A 25 -3.897 15.396 7.024 1.00 1.62 H new ATOM 0 HD2 LYS A 25 -5.299 15.411 5.259 1.00 1.96 H new ATOM 0 HD3 LYS A 25 -6.180 14.027 5.876 1.00 1.96 H new ATOM 0 HE2 LYS A 25 -7.869 15.311 6.682 1.00 2.51 H new ATOM 0 HE3 LYS A 25 -6.768 16.473 7.395 1.00 2.51 H new ATOM 0 HZ1 LYS A 25 -8.322 16.949 5.255 1.00 3.07 H new ATOM 0 HZ2 LYS A 25 -6.913 17.820 5.629 1.00 3.07 H new ATOM 0 HZ3 LYS A 25 -6.853 16.552 4.501 1.00 3.07 H new ATOM 379 N GLN A 26 -2.328 11.419 7.433 1.00 1.18 N ATOM 380 CA GLN A 26 -1.283 10.736 6.678 1.00 1.16 C ATOM 381 C GLN A 26 -1.414 11.024 5.185 1.00 0.96 C ATOM 382 O GLN A 26 -2.519 11.190 4.669 1.00 1.01 O ATOM 383 CB GLN A 26 -1.348 9.228 6.926 1.00 1.46 C ATOM 384 CG GLN A 26 -1.026 8.832 8.357 1.00 1.80 C ATOM 385 CD GLN A 26 -2.176 8.117 9.038 1.00 2.08 C ATOM 386 OE1 GLN A 26 -3.020 8.743 9.678 1.00 2.39 O ATOM 387 NE2 GLN A 26 -2.215 6.796 8.903 1.00 2.84 N ATOM 0 H GLN A 26 -3.144 10.843 7.639 1.00 1.18 H new ATOM 0 HA GLN A 26 -0.318 11.112 7.019 1.00 1.16 H new ATOM 0 HB2 GLN A 26 -2.346 8.870 6.675 1.00 1.46 H new ATOM 0 HB3 GLN A 26 -0.651 8.727 6.254 1.00 1.46 H new ATOM 0 HG2 GLN A 26 -0.148 8.186 8.362 1.00 1.80 H new ATOM 0 HG3 GLN A 26 -0.769 9.724 8.928 1.00 1.80 H new ATOM 0 HE21 GLN A 26 -1.494 6.317 8.363 1.00 2.84 H new ATOM 0 HE22 GLN A 26 -2.966 6.261 9.339 1.00 2.84 H new ATOM 396 N MET A 27 -0.279 11.081 4.497 1.00 0.84 N ATOM 397 CA MET A 27 -0.267 11.349 3.064 1.00 0.69 C ATOM 398 C MET A 27 0.729 10.441 2.348 1.00 0.59 C ATOM 399 O MET A 27 1.787 10.118 2.887 1.00 0.67 O ATOM 400 CB MET A 27 0.081 12.814 2.800 1.00 0.74 C ATOM 401 CG MET A 27 -1.062 13.773 3.089 1.00 1.10 C ATOM 402 SD MET A 27 -0.910 15.328 2.190 1.00 1.45 S ATOM 403 CE MET A 27 -1.292 14.794 0.523 1.00 1.18 C ATOM 0 H MET A 27 0.644 10.945 4.909 1.00 0.84 H new ATOM 0 HA MET A 27 -1.264 11.144 2.674 1.00 0.69 H new ATOM 0 HB2 MET A 27 0.940 13.091 3.412 1.00 0.74 H new ATOM 0 HB3 MET A 27 0.383 12.925 1.758 1.00 0.74 H new ATOM 0 HG2 MET A 27 -2.006 13.296 2.825 1.00 1.10 H new ATOM 0 HG3 MET A 27 -1.097 13.979 4.159 1.00 1.10 H new ATOM 0 HE1 MET A 27 -0.773 15.433 -0.192 1.00 1.18 H new ATOM 0 HE2 MET A 27 -0.969 13.762 0.389 1.00 1.18 H new ATOM 0 HE3 MET A 27 -2.367 14.862 0.356 1.00 1.18 H new ATOM 413 N LEU A 28 0.382 10.033 1.132 1.00 0.52 N ATOM 414 CA LEU A 28 1.247 9.163 0.343 1.00 0.53 C ATOM 415 C LEU A 28 2.166 9.983 -0.557 1.00 0.47 C ATOM 416 O LEU A 28 1.771 10.411 -1.641 1.00 0.63 O ATOM 417 CB LEU A 28 0.405 8.208 -0.505 1.00 0.67 C ATOM 418 CG LEU A 28 1.063 6.859 -0.805 1.00 1.00 C ATOM 419 CD1 LEU A 28 1.252 6.062 0.476 1.00 1.73 C ATOM 420 CD2 LEU A 28 0.233 6.073 -1.808 1.00 0.81 C ATOM 0 H LEU A 28 -0.491 10.290 0.672 1.00 0.52 H new ATOM 0 HA LEU A 28 1.863 8.583 1.030 1.00 0.53 H new ATOM 0 HB2 LEU A 28 -0.540 8.028 0.007 1.00 0.67 H new ATOM 0 HB3 LEU A 28 0.168 8.698 -1.449 1.00 0.67 H new ATOM 0 HG LEU A 28 2.045 7.043 -1.242 1.00 1.00 H new ATOM 0 HD11 LEU A 28 1.721 5.106 0.244 1.00 1.73 H new ATOM 0 HD12 LEU A 28 1.888 6.621 1.162 1.00 1.73 H new ATOM 0 HD13 LEU A 28 0.282 5.887 0.942 1.00 1.73 H new ATOM 0 HD21 LEU A 28 0.716 5.117 -2.010 1.00 0.81 H new ATOM 0 HD22 LEU A 28 -0.762 5.898 -1.399 1.00 0.81 H new ATOM 0 HD23 LEU A 28 0.150 6.640 -2.735 1.00 0.81 H new ATOM 432 N CYS A 29 3.395 10.197 -0.098 1.00 0.46 N ATOM 433 CA CYS A 29 4.372 10.966 -0.861 1.00 0.44 C ATOM 434 C CYS A 29 5.416 10.049 -1.490 1.00 0.44 C ATOM 435 O CYS A 29 6.152 9.356 -0.787 1.00 0.67 O ATOM 436 CB CYS A 29 5.058 11.996 0.041 1.00 0.52 C ATOM 437 SG CYS A 29 4.768 13.726 -0.450 1.00 0.90 S ATOM 0 H CYS A 29 3.738 9.849 0.797 1.00 0.46 H new ATOM 0 HA CYS A 29 3.844 11.486 -1.660 1.00 0.44 H new ATOM 0 HB2 CYS A 29 4.709 11.857 1.064 1.00 0.52 H new ATOM 0 HB3 CYS A 29 6.131 11.805 0.042 1.00 0.52 H new ATOM 442 N THR A 30 5.474 10.051 -2.818 1.00 0.37 N ATOM 443 CA THR A 30 6.427 9.218 -3.542 1.00 0.38 C ATOM 444 C THR A 30 7.387 10.070 -4.364 1.00 0.42 C ATOM 445 O THR A 30 6.992 11.077 -4.953 1.00 0.56 O ATOM 446 CB THR A 30 5.712 8.228 -4.480 1.00 0.45 C ATOM 447 OG1 THR A 30 4.856 7.365 -3.724 1.00 0.58 O ATOM 448 CG2 THR A 30 6.720 7.395 -5.259 1.00 0.45 C ATOM 0 H THR A 30 4.873 10.620 -3.414 1.00 0.37 H new ATOM 0 HA THR A 30 6.988 8.658 -2.793 1.00 0.38 H new ATOM 0 HB THR A 30 5.114 8.802 -5.188 1.00 0.45 H new ATOM 0 HG1 THR A 30 4.018 7.226 -4.212 1.00 0.58 H new ATOM 0 HG21 THR A 30 6.191 6.703 -5.915 1.00 0.45 H new ATOM 0 HG22 THR A 30 7.350 8.053 -5.858 1.00 0.45 H new ATOM 0 HG23 THR A 30 7.342 6.832 -4.563 1.00 0.45 H new ATOM 456 N CYS A 31 8.649 9.658 -4.402 1.00 0.43 N ATOM 457 CA CYS A 31 9.666 10.382 -5.157 1.00 0.49 C ATOM 458 C CYS A 31 9.752 9.856 -6.584 1.00 0.53 C ATOM 459 O CYS A 31 9.658 8.651 -6.817 1.00 0.53 O ATOM 460 CB CYS A 31 11.027 10.255 -4.471 1.00 0.55 C ATOM 461 SG CYS A 31 12.437 10.732 -5.522 1.00 1.09 S ATOM 0 H CYS A 31 8.993 8.828 -3.920 1.00 0.43 H new ATOM 0 HA CYS A 31 9.382 11.434 -5.190 1.00 0.49 H new ATOM 0 HB2 CYS A 31 11.029 10.875 -3.575 1.00 0.55 H new ATOM 0 HB3 CYS A 31 11.163 9.224 -4.145 1.00 0.55 H new ATOM 466 N LEU A 32 9.932 10.766 -7.536 1.00 0.66 N ATOM 467 CA LEU A 32 10.030 10.391 -8.942 1.00 0.78 C ATOM 468 C LEU A 32 11.046 11.264 -9.670 1.00 0.89 C ATOM 469 O LEU A 32 10.978 11.429 -10.888 1.00 1.43 O ATOM 470 CB LEU A 32 8.662 10.506 -9.618 1.00 0.84 C ATOM 471 CG LEU A 32 7.549 9.679 -8.971 1.00 0.84 C ATOM 472 CD1 LEU A 32 6.528 10.589 -8.305 1.00 1.62 C ATOM 473 CD2 LEU A 32 6.879 8.787 -10.005 1.00 1.47 C ATOM 0 H LEU A 32 10.013 11.767 -7.360 1.00 0.66 H new ATOM 0 HA LEU A 32 10.367 9.356 -8.993 1.00 0.78 H new ATOM 0 HB2 LEU A 32 8.361 11.554 -9.620 1.00 0.84 H new ATOM 0 HB3 LEU A 32 8.762 10.201 -10.660 1.00 0.84 H new ATOM 0 HG LEU A 32 7.992 9.043 -8.205 1.00 0.84 H new ATOM 0 HD11 LEU A 32 5.744 9.984 -7.850 1.00 1.62 H new ATOM 0 HD12 LEU A 32 7.019 11.185 -7.536 1.00 1.62 H new ATOM 0 HD13 LEU A 32 6.089 11.251 -9.051 1.00 1.62 H new ATOM 0 HD21 LEU A 32 6.090 8.206 -9.528 1.00 1.47 H new ATOM 0 HD22 LEU A 32 6.449 9.404 -10.794 1.00 1.47 H new ATOM 0 HD23 LEU A 32 7.618 8.111 -10.436 1.00 1.47 H new ATOM 485 N GLY A 33 11.989 11.821 -8.915 1.00 1.30 N ATOM 486 CA GLY A 33 13.006 12.670 -9.507 1.00 1.46 C ATOM 487 C GLY A 33 12.491 14.061 -9.824 1.00 1.50 C ATOM 488 O GLY A 33 13.094 15.059 -9.427 1.00 2.03 O ATOM 0 H GLY A 33 12.066 11.699 -7.905 1.00 1.30 H new ATOM 0 HA2 GLY A 33 13.853 12.747 -8.825 1.00 1.46 H new ATOM 0 HA3 GLY A 33 13.375 12.206 -10.422 1.00 1.46 H new ATOM 492 N ASN A 34 11.374 14.127 -10.541 1.00 1.45 N ATOM 493 CA ASN A 34 10.779 15.407 -10.911 1.00 1.93 C ATOM 494 C ASN A 34 10.084 16.051 -9.717 1.00 1.45 C ATOM 495 O ASN A 34 9.689 17.216 -9.769 1.00 1.59 O ATOM 496 CB ASN A 34 9.780 15.216 -12.054 1.00 2.82 C ATOM 497 CG ASN A 34 9.967 16.233 -13.162 1.00 3.77 C ATOM 498 OD1 ASN A 34 10.517 17.313 -12.942 1.00 4.45 O ATOM 499 ND2 ASN A 34 9.510 15.894 -14.362 1.00 4.21 N ATOM 0 H ASN A 34 10.863 13.311 -10.877 1.00 1.45 H new ATOM 0 HA ASN A 34 11.580 16.069 -11.242 1.00 1.93 H new ATOM 0 HB2 ASN A 34 9.889 14.212 -12.464 1.00 2.82 H new ATOM 0 HB3 ASN A 34 8.766 15.292 -11.663 1.00 2.82 H new ATOM 0 HD21 ASN A 34 9.608 16.539 -15.146 1.00 4.21 H new ATOM 0 HD22 ASN A 34 9.061 14.989 -14.500 1.00 4.21 H new ATOM 506 N GLY A 35 9.937 15.287 -8.639 1.00 1.05 N ATOM 507 CA GLY A 35 9.290 15.801 -7.447 1.00 0.91 C ATOM 508 C GLY A 35 8.467 14.748 -6.733 1.00 0.84 C ATOM 509 O GLY A 35 8.052 13.760 -7.339 1.00 1.38 O ATOM 0 H GLY A 35 10.255 14.320 -8.570 1.00 1.05 H new ATOM 0 HA2 GLY A 35 10.047 16.189 -6.766 1.00 0.91 H new ATOM 0 HA3 GLY A 35 8.646 16.638 -7.719 1.00 0.91 H new ATOM 513 N VAL A 36 8.230 14.958 -5.443 1.00 0.63 N ATOM 514 CA VAL A 36 7.452 14.018 -4.646 1.00 0.55 C ATOM 515 C VAL A 36 5.967 14.115 -4.977 1.00 0.59 C ATOM 516 O VAL A 36 5.382 15.198 -4.942 1.00 0.81 O ATOM 517 CB VAL A 36 7.646 14.263 -3.138 1.00 0.68 C ATOM 518 CG1 VAL A 36 7.009 13.142 -2.329 1.00 0.79 C ATOM 519 CG2 VAL A 36 9.123 14.400 -2.803 1.00 0.85 C ATOM 0 H VAL A 36 8.566 15.771 -4.927 1.00 0.63 H new ATOM 0 HA VAL A 36 7.814 13.020 -4.894 1.00 0.55 H new ATOM 0 HB VAL A 36 7.151 15.197 -2.874 1.00 0.68 H new ATOM 0 HG11 VAL A 36 7.156 13.332 -1.266 1.00 0.79 H new ATOM 0 HG12 VAL A 36 5.942 13.098 -2.546 1.00 0.79 H new ATOM 0 HG13 VAL A 36 7.473 12.192 -2.595 1.00 0.79 H new ATOM 0 HG21 VAL A 36 9.239 14.573 -1.733 1.00 0.85 H new ATOM 0 HG22 VAL A 36 9.646 13.485 -3.082 1.00 0.85 H new ATOM 0 HG23 VAL A 36 9.545 15.241 -3.354 1.00 0.85 H new ATOM 529 N SER A 37 5.361 12.976 -5.297 1.00 0.66 N ATOM 530 CA SER A 37 3.943 12.933 -5.633 1.00 0.79 C ATOM 531 C SER A 37 3.108 12.555 -4.415 1.00 0.66 C ATOM 532 O SER A 37 2.856 11.376 -4.164 1.00 0.69 O ATOM 533 CB SER A 37 3.696 11.935 -6.766 1.00 1.03 C ATOM 534 OG SER A 37 4.164 12.440 -8.004 1.00 1.72 O ATOM 0 H SER A 37 5.830 12.071 -5.331 1.00 0.66 H new ATOM 0 HA SER A 37 3.642 13.927 -5.963 1.00 0.79 H new ATOM 0 HB2 SER A 37 4.198 10.994 -6.541 1.00 1.03 H new ATOM 0 HB3 SER A 37 2.630 11.719 -6.838 1.00 1.03 H new ATOM 0 HG SER A 37 3.995 11.782 -8.710 1.00 1.72 H new ATOM 540 N CYS A 38 2.682 13.562 -3.659 1.00 0.69 N ATOM 541 CA CYS A 38 1.875 13.334 -2.466 1.00 0.66 C ATOM 542 C CYS A 38 0.406 13.148 -2.829 1.00 0.69 C ATOM 543 O CYS A 38 -0.123 13.842 -3.698 1.00 0.80 O ATOM 544 CB CYS A 38 2.027 14.504 -1.492 1.00 0.73 C ATOM 545 SG CYS A 38 2.837 14.062 0.079 1.00 1.08 S ATOM 0 H CYS A 38 2.882 14.543 -3.851 1.00 0.69 H new ATOM 0 HA CYS A 38 2.230 12.422 -1.987 1.00 0.66 H new ATOM 0 HB2 CYS A 38 2.602 15.293 -1.976 1.00 0.73 H new ATOM 0 HB3 CYS A 38 1.040 14.915 -1.277 1.00 0.73 H new ATOM 550 N GLN A 39 -0.250 12.205 -2.159 1.00 0.65 N ATOM 551 CA GLN A 39 -1.658 11.927 -2.410 1.00 0.72 C ATOM 552 C GLN A 39 -2.387 11.595 -1.112 1.00 0.73 C ATOM 553 O GLN A 39 -2.266 10.489 -0.587 1.00 0.80 O ATOM 554 CB GLN A 39 -1.802 10.769 -3.400 1.00 0.80 C ATOM 555 CG GLN A 39 -2.818 11.031 -4.499 1.00 1.23 C ATOM 556 CD GLN A 39 -2.751 10.004 -5.613 1.00 1.59 C ATOM 557 OE1 GLN A 39 -2.193 8.921 -5.441 1.00 2.12 O ATOM 558 NE2 GLN A 39 -3.320 10.342 -6.764 1.00 2.25 N ATOM 0 H GLN A 39 0.173 11.621 -1.438 1.00 0.65 H new ATOM 0 HA GLN A 39 -2.108 12.822 -2.840 1.00 0.72 H new ATOM 0 HB2 GLN A 39 -0.832 10.568 -3.854 1.00 0.80 H new ATOM 0 HB3 GLN A 39 -2.092 9.870 -2.855 1.00 0.80 H new ATOM 0 HG2 GLN A 39 -3.820 11.031 -4.070 1.00 1.23 H new ATOM 0 HG3 GLN A 39 -2.649 12.024 -4.915 1.00 1.23 H new ATOM 0 HE21 GLN A 39 -3.772 11.251 -6.862 1.00 2.25 H new ATOM 0 HE22 GLN A 39 -3.305 9.692 -7.550 1.00 2.25 H new ATOM 567 N GLU A 40 -3.143 12.561 -0.600 1.00 0.88 N ATOM 568 CA GLU A 40 -3.891 12.372 0.637 1.00 0.98 C ATOM 569 C GLU A 40 -4.427 10.947 0.736 1.00 1.11 C ATOM 570 O GLU A 40 -4.570 10.256 -0.272 1.00 1.50 O ATOM 571 CB GLU A 40 -5.047 13.371 0.716 1.00 1.22 C ATOM 572 CG GLU A 40 -5.066 14.179 2.003 1.00 1.57 C ATOM 573 CD GLU A 40 -6.134 15.254 2.000 1.00 2.11 C ATOM 574 OE1 GLU A 40 -7.030 15.199 1.132 1.00 2.55 O ATOM 575 OE2 GLU A 40 -6.074 16.153 2.867 1.00 2.72 O ATOM 0 H GLU A 40 -3.254 13.483 -1.023 1.00 0.88 H new ATOM 0 HA GLU A 40 -3.213 12.545 1.473 1.00 0.98 H new ATOM 0 HB2 GLU A 40 -4.984 14.054 -0.131 1.00 1.22 H new ATOM 0 HB3 GLU A 40 -5.989 12.832 0.622 1.00 1.22 H new ATOM 0 HG2 GLU A 40 -5.233 13.509 2.846 1.00 1.57 H new ATOM 0 HG3 GLU A 40 -4.090 14.642 2.152 1.00 1.57 H new ATOM 582 N THR A 41 -4.721 10.515 1.958 1.00 1.38 N ATOM 583 CA THR A 41 -5.241 9.173 2.189 1.00 1.62 C ATOM 584 C THR A 41 -6.615 8.998 1.551 1.00 1.65 C ATOM 585 O THR A 41 -7.605 8.756 2.241 1.00 1.99 O ATOM 586 CB THR A 41 -5.344 8.861 3.693 1.00 2.34 C ATOM 587 OG1 THR A 41 -4.104 9.164 4.343 1.00 3.05 O ATOM 588 CG2 THR A 41 -5.696 7.399 3.920 1.00 3.06 C ATOM 0 H THR A 41 -4.608 11.075 2.803 1.00 1.38 H new ATOM 0 HA THR A 41 -4.538 8.479 1.729 1.00 1.62 H new ATOM 0 HB THR A 41 -6.136 9.479 4.115 1.00 2.34 H new ATOM 0 HG1 THR A 41 -3.969 10.135 4.354 1.00 3.05 H new ATOM 0 HG21 THR A 41 -5.763 7.203 4.990 1.00 3.06 H new ATOM 0 HG22 THR A 41 -6.654 7.178 3.450 1.00 3.06 H new ATOM 0 HG23 THR A 41 -4.923 6.767 3.483 1.00 3.06 H new ATOM 596 N ALA A 42 -6.668 9.125 0.228 1.00 1.93 N ATOM 597 CA ALA A 42 -7.921 8.980 -0.503 1.00 2.63 C ATOM 598 C ALA A 42 -8.202 7.517 -0.827 1.00 3.10 C ATOM 599 O ALA A 42 -7.289 6.693 -0.865 1.00 3.24 O ATOM 600 CB ALA A 42 -7.884 9.808 -1.778 1.00 2.94 C ATOM 0 H ALA A 42 -5.858 9.328 -0.358 1.00 1.93 H new ATOM 0 HA ALA A 42 -8.729 9.345 0.132 1.00 2.63 H new ATOM 0 HB1 ALA A 42 -8.825 9.691 -2.315 1.00 2.94 H new ATOM 0 HB2 ALA A 42 -7.738 10.858 -1.526 1.00 2.94 H new ATOM 0 HB3 ALA A 42 -7.062 9.469 -2.408 1.00 2.94 H new ATOM 606 N VAL A 43 -9.472 7.202 -1.059 1.00 3.74 N ATOM 607 CA VAL A 43 -9.876 5.842 -1.380 1.00 4.49 C ATOM 608 C VAL A 43 -8.981 5.240 -2.458 1.00 4.36 C ATOM 609 O VAL A 43 -8.037 5.878 -2.924 1.00 4.41 O ATOM 610 CB VAL A 43 -11.341 5.797 -1.852 1.00 5.48 C ATOM 611 CG1 VAL A 43 -12.219 6.648 -0.948 1.00 5.88 C ATOM 612 CG2 VAL A 43 -11.456 6.250 -3.300 1.00 6.24 C ATOM 0 H VAL A 43 -10.239 7.873 -1.030 1.00 3.74 H new ATOM 0 HA VAL A 43 -9.776 5.254 -0.468 1.00 4.49 H new ATOM 0 HB VAL A 43 -11.688 4.765 -1.793 1.00 5.48 H new ATOM 0 HG11 VAL A 43 -13.251 6.604 -1.297 1.00 5.88 H new ATOM 0 HG12 VAL A 43 -12.165 6.270 0.073 1.00 5.88 H new ATOM 0 HG13 VAL A 43 -11.872 7.681 -0.971 1.00 5.88 H new ATOM 0 HG21 VAL A 43 -12.500 6.210 -3.612 1.00 6.24 H new ATOM 0 HG22 VAL A 43 -11.089 7.272 -3.392 1.00 6.24 H new ATOM 0 HG23 VAL A 43 -10.862 5.593 -3.935 1.00 6.24 H new ATOM 622 N THR A 44 -9.285 4.007 -2.852 1.00 4.49 N ATOM 623 CA THR A 44 -8.515 3.318 -3.873 1.00 4.54 C ATOM 624 C THR A 44 -9.167 3.478 -5.244 1.00 5.19 C ATOM 625 O THR A 44 -10.325 3.885 -5.348 1.00 5.65 O ATOM 626 CB THR A 44 -8.373 1.819 -3.527 1.00 4.48 C ATOM 627 OG1 THR A 44 -7.303 1.631 -2.595 1.00 4.71 O ATOM 628 CG2 THR A 44 -8.115 0.982 -4.770 1.00 4.35 C ATOM 0 H THR A 44 -10.063 3.466 -2.476 1.00 4.49 H new ATOM 0 HA THR A 44 -7.522 3.767 -3.906 1.00 4.54 H new ATOM 0 HB THR A 44 -9.313 1.491 -3.083 1.00 4.48 H new ATOM 0 HG1 THR A 44 -7.618 1.836 -1.690 1.00 4.71 H new ATOM 0 HG21 THR A 44 -8.020 -0.067 -4.489 1.00 4.35 H new ATOM 0 HG22 THR A 44 -8.946 1.098 -5.466 1.00 4.35 H new ATOM 0 HG23 THR A 44 -7.193 1.314 -5.247 1.00 4.35 H new ATOM 636 N GLN A 45 -8.418 3.156 -6.294 1.00 5.41 N ATOM 637 CA GLN A 45 -8.924 3.264 -7.656 1.00 6.16 C ATOM 638 C GLN A 45 -10.103 2.321 -7.874 1.00 6.31 C ATOM 639 O GLN A 45 -10.002 1.343 -8.614 1.00 6.26 O ATOM 640 CB GLN A 45 -7.814 2.950 -8.662 1.00 6.50 C ATOM 641 CG GLN A 45 -7.691 3.981 -9.772 1.00 7.27 C ATOM 642 CD GLN A 45 -6.370 3.889 -10.510 1.00 7.81 C ATOM 643 OE1 GLN A 45 -5.303 3.884 -9.897 1.00 8.04 O ATOM 644 NE2 GLN A 45 -6.436 3.813 -11.835 1.00 8.29 N ATOM 0 H GLN A 45 -7.458 2.818 -6.227 1.00 5.41 H new ATOM 0 HA GLN A 45 -9.266 4.288 -7.810 1.00 6.16 H new ATOM 0 HB2 GLN A 45 -6.864 2.883 -8.133 1.00 6.50 H new ATOM 0 HB3 GLN A 45 -8.002 1.972 -9.105 1.00 6.50 H new ATOM 0 HG2 GLN A 45 -8.509 3.846 -10.480 1.00 7.27 H new ATOM 0 HG3 GLN A 45 -7.797 4.980 -9.349 1.00 7.27 H new ATOM 0 HE21 GLN A 45 -7.343 3.820 -12.302 1.00 8.29 H new ATOM 0 HE22 GLN A 45 -5.580 3.747 -12.385 1.00 8.29 H new ATOM 653 N THR A 46 -11.223 2.623 -7.222 1.00 6.71 N ATOM 654 CA THR A 46 -12.422 1.804 -7.343 1.00 7.04 C ATOM 655 C THR A 46 -12.766 1.541 -8.804 1.00 7.57 C ATOM 656 O THR A 46 -12.217 2.173 -9.706 1.00 7.92 O ATOM 657 CB THR A 46 -13.628 2.471 -6.655 1.00 7.54 C ATOM 658 OG1 THR A 46 -13.644 3.874 -6.946 1.00 7.96 O ATOM 659 CG2 THR A 46 -13.578 2.261 -5.150 1.00 7.27 C ATOM 0 H THR A 46 -11.323 3.429 -6.605 1.00 6.71 H new ATOM 0 HA THR A 46 -12.208 0.856 -6.849 1.00 7.04 H new ATOM 0 HB THR A 46 -14.538 2.010 -7.040 1.00 7.54 H new ATOM 0 HG1 THR A 46 -14.424 4.084 -7.501 1.00 7.96 H new ATOM 0 HG21 THR A 46 -14.440 2.741 -4.687 1.00 7.27 H new ATOM 0 HG22 THR A 46 -13.596 1.193 -4.931 1.00 7.27 H new ATOM 0 HG23 THR A 46 -12.662 2.698 -4.752 1.00 7.27 H new ATOM 667 N TYR A 47 -13.682 0.605 -9.031 1.00 7.75 N ATOM 668 CA TYR A 47 -14.103 0.258 -10.385 1.00 8.33 C ATOM 669 C TYR A 47 -15.234 -0.764 -10.356 1.00 8.62 C ATOM 670 O TYR A 47 -15.318 -1.587 -9.444 1.00 8.32 O ATOM 671 CB TYR A 47 -12.921 -0.292 -11.183 1.00 8.19 C ATOM 672 CG TYR A 47 -12.391 -1.607 -10.657 1.00 7.66 C ATOM 673 CD1 TYR A 47 -13.087 -2.792 -10.865 1.00 7.88 C ATOM 674 CD2 TYR A 47 -11.194 -1.664 -9.953 1.00 7.03 C ATOM 675 CE1 TYR A 47 -12.606 -3.995 -10.385 1.00 7.55 C ATOM 676 CE2 TYR A 47 -10.705 -2.864 -9.471 1.00 6.65 C ATOM 677 CZ TYR A 47 -11.415 -4.026 -9.690 1.00 6.95 C ATOM 678 OH TYR A 47 -10.933 -5.222 -9.211 1.00 6.76 O ATOM 0 H TYR A 47 -14.147 0.073 -8.296 1.00 7.75 H new ATOM 0 HA TYR A 47 -14.468 1.163 -10.870 1.00 8.33 H new ATOM 0 HB2 TYR A 47 -13.225 -0.422 -12.222 1.00 8.19 H new ATOM 0 HB3 TYR A 47 -12.116 0.443 -11.176 1.00 8.19 H new ATOM 0 HD1 TYR A 47 -14.019 -2.772 -11.411 1.00 7.88 H new ATOM 0 HD2 TYR A 47 -10.636 -0.755 -9.780 1.00 7.03 H new ATOM 0 HE1 TYR A 47 -13.160 -4.907 -10.553 1.00 7.55 H new ATOM 0 HE2 TYR A 47 -9.773 -2.891 -8.926 1.00 6.65 H new ATOM 0 HH TYR A 47 -11.133 -5.936 -9.852 1.00 6.76 H new ATOM 688 N GLY A 48 -16.102 -0.706 -11.361 1.00 9.31 N ATOM 689 CA GLY A 48 -17.217 -1.632 -11.432 1.00 9.71 C ATOM 690 C GLY A 48 -18.108 -1.564 -10.207 1.00 9.78 C ATOM 691 O GLY A 48 -18.031 -0.613 -9.428 1.00 9.60 O ATOM 0 H GLY A 48 -16.053 -0.034 -12.127 1.00 9.31 H new ATOM 0 HA2 GLY A 48 -17.810 -1.414 -12.321 1.00 9.71 H new ATOM 0 HA3 GLY A 48 -16.836 -2.647 -11.544 1.00 9.71 H new ATOM 695 N GLY A 49 -18.954 -2.573 -10.036 1.00 10.15 N ATOM 696 CA GLY A 49 -19.851 -2.604 -8.895 1.00 10.41 C ATOM 697 C GLY A 49 -21.167 -1.906 -9.170 1.00 11.15 C ATOM 698 O GLY A 49 -21.413 -1.447 -10.286 1.00 11.52 O ATOM 0 H GLY A 49 -19.035 -3.370 -10.667 1.00 10.15 H new ATOM 0 HA2 GLY A 49 -20.045 -3.640 -8.618 1.00 10.41 H new ATOM 0 HA3 GLY A 49 -19.364 -2.131 -8.042 1.00 10.41 H new ATOM 702 N ASN A 50 -22.016 -1.824 -8.151 1.00 11.45 N ATOM 703 CA ASN A 50 -23.316 -1.177 -8.288 1.00 12.21 C ATOM 704 C ASN A 50 -23.218 0.310 -7.964 1.00 12.23 C ATOM 705 O ASN A 50 -24.163 0.904 -7.441 1.00 12.84 O ATOM 706 CB ASN A 50 -24.341 -1.846 -7.371 1.00 12.67 C ATOM 707 CG ASN A 50 -24.145 -3.345 -7.279 1.00 12.77 C ATOM 708 OD1 ASN A 50 -24.098 -3.862 -6.057 1.00 12.93 O flip ATOM 709 ND2 ASN A 50 -24.035 -4.033 -8.294 1.00 12.83 N flip ATOM 0 H ASN A 50 -21.827 -2.198 -7.221 1.00 11.45 H new ATOM 0 HA ASN A 50 -23.642 -1.284 -9.323 1.00 12.21 H new ATOM 0 HB2 ASN A 50 -24.270 -1.412 -6.374 1.00 12.67 H new ATOM 0 HB3 ASN A 50 -25.345 -1.636 -7.739 1.00 12.67 H new ATOM 0 HD21 ASN A 50 -24.077 -3.595 -9.214 1.00 12.83 H new ATOM 0 HD22 ASN A 50 -23.902 -5.041 -8.215 1.00 12.83 H new ATOM 716 N SER A 51 -22.074 0.907 -8.277 1.00 11.62 N ATOM 717 CA SER A 51 -21.854 2.324 -8.020 1.00 11.67 C ATOM 718 C SER A 51 -21.052 2.963 -9.149 1.00 11.58 C ATOM 719 O SER A 51 -20.575 4.091 -9.023 1.00 11.71 O ATOM 720 CB SER A 51 -21.124 2.515 -6.689 1.00 11.16 C ATOM 721 OG SER A 51 -21.349 3.813 -6.165 1.00 11.27 O ATOM 0 H SER A 51 -21.283 0.430 -8.710 1.00 11.62 H new ATOM 0 HA SER A 51 -22.826 2.814 -7.967 1.00 11.67 H new ATOM 0 HB2 SER A 51 -21.464 1.767 -5.973 1.00 11.16 H new ATOM 0 HB3 SER A 51 -20.055 2.357 -6.831 1.00 11.16 H new ATOM 0 HG SER A 51 -21.194 4.480 -6.866 1.00 11.27 H new ATOM 727 N ASN A 52 -20.910 2.237 -10.253 1.00 11.46 N ATOM 728 CA ASN A 52 -20.167 2.734 -11.404 1.00 11.52 C ATOM 729 C ASN A 52 -18.682 2.862 -11.080 1.00 10.98 C ATOM 730 O ASN A 52 -17.993 3.732 -11.610 1.00 11.17 O ATOM 731 CB ASN A 52 -20.724 4.088 -11.847 1.00 12.28 C ATOM 732 CG ASN A 52 -19.938 4.692 -12.993 1.00 12.51 C ATOM 733 OD1 ASN A 52 -19.137 5.606 -12.798 1.00 12.49 O ATOM 734 ND2 ASN A 52 -20.164 4.182 -14.198 1.00 12.89 N ATOM 0 H ASN A 52 -21.300 1.302 -10.374 1.00 11.46 H new ATOM 0 HA ASN A 52 -20.281 2.017 -12.217 1.00 11.52 H new ATOM 0 HB2 ASN A 52 -21.765 3.968 -12.148 1.00 12.28 H new ATOM 0 HB3 ASN A 52 -20.714 4.776 -11.001 1.00 12.28 H new ATOM 0 HD21 ASN A 52 -19.664 4.548 -15.009 1.00 12.89 H new ATOM 0 HD22 ASN A 52 -20.837 3.424 -14.313 1.00 12.89 H new ATOM 741 N GLY A 53 -18.196 1.988 -10.205 1.00 10.42 N ATOM 742 CA GLY A 53 -16.796 2.018 -9.825 1.00 9.92 C ATOM 743 C GLY A 53 -16.396 3.336 -9.190 1.00 9.96 C ATOM 744 O GLY A 53 -15.209 3.640 -9.070 1.00 9.98 O ATOM 0 H GLY A 53 -18.747 1.259 -9.752 1.00 10.42 H new ATOM 0 HA2 GLY A 53 -16.595 1.206 -9.127 1.00 9.92 H new ATOM 0 HA3 GLY A 53 -16.180 1.841 -10.706 1.00 9.92 H new ATOM 748 N GLU A 54 -17.389 4.120 -8.782 1.00 10.11 N ATOM 749 CA GLU A 54 -17.134 5.412 -8.156 1.00 10.27 C ATOM 750 C GLU A 54 -16.352 5.242 -6.858 1.00 9.68 C ATOM 751 O GLU A 54 -15.925 4.139 -6.516 1.00 9.14 O ATOM 752 CB GLU A 54 -18.453 6.138 -7.884 1.00 11.01 C ATOM 753 CG GLU A 54 -18.611 7.430 -8.669 1.00 11.67 C ATOM 754 CD GLU A 54 -20.017 7.620 -9.204 1.00 12.35 C ATOM 755 OE1 GLU A 54 -20.974 7.506 -8.411 1.00 12.73 O ATOM 756 OE2 GLU A 54 -20.159 7.880 -10.418 1.00 12.61 O ATOM 0 H GLU A 54 -18.377 3.883 -8.874 1.00 10.11 H new ATOM 0 HA GLU A 54 -16.534 6.010 -8.842 1.00 10.27 H new ATOM 0 HB2 GLU A 54 -19.281 5.472 -8.127 1.00 11.01 H new ATOM 0 HB3 GLU A 54 -18.523 6.359 -6.819 1.00 11.01 H new ATOM 0 HG2 GLU A 54 -18.353 8.274 -8.029 1.00 11.67 H new ATOM 0 HG3 GLU A 54 -17.906 7.434 -9.501 1.00 11.67 H new ATOM 763 N PRO A 55 -16.150 6.344 -6.120 1.00 9.85 N ATOM 764 CA PRO A 55 -15.413 6.338 -4.856 1.00 9.44 C ATOM 765 C PRO A 55 -16.201 5.675 -3.731 1.00 9.58 C ATOM 766 O PRO A 55 -17.427 5.578 -3.793 1.00 10.17 O ATOM 767 CB PRO A 55 -15.195 7.830 -4.551 1.00 9.87 C ATOM 768 CG PRO A 55 -15.603 8.560 -5.790 1.00 10.49 C ATOM 769 CD PRO A 55 -16.620 7.687 -6.463 1.00 10.55 C ATOM 0 HA PRO A 55 -14.486 5.769 -4.932 1.00 9.44 H new ATOM 0 HB2 PRO A 55 -15.792 8.146 -3.696 1.00 9.87 H new ATOM 0 HB3 PRO A 55 -14.153 8.031 -4.304 1.00 9.87 H new ATOM 0 HG2 PRO A 55 -16.024 9.536 -5.548 1.00 10.49 H new ATOM 0 HG3 PRO A 55 -14.746 8.735 -6.441 1.00 10.49 H new ATOM 0 HD2 PRO A 55 -17.627 7.873 -6.090 1.00 10.55 H new ATOM 0 HD3 PRO A 55 -16.644 7.847 -7.541 1.00 10.55 H new ATOM 777 N CYS A 56 -15.490 5.221 -2.704 1.00 9.16 N ATOM 778 CA CYS A 56 -16.125 4.567 -1.566 1.00 9.43 C ATOM 779 C CYS A 56 -16.588 5.592 -0.537 1.00 10.16 C ATOM 780 O CYS A 56 -16.515 6.798 -0.771 1.00 10.44 O ATOM 781 CB CYS A 56 -15.159 3.574 -0.916 1.00 8.78 C ATOM 782 SG CYS A 56 -13.814 3.018 -2.011 1.00 8.02 S ATOM 0 H CYS A 56 -14.475 5.294 -2.637 1.00 9.16 H new ATOM 0 HA CYS A 56 -16.998 4.027 -1.931 1.00 9.43 H new ATOM 0 HB2 CYS A 56 -14.724 4.035 -0.029 1.00 8.78 H new ATOM 0 HB3 CYS A 56 -15.722 2.704 -0.579 1.00 8.78 H new ATOM 787 N VAL A 57 -17.069 5.103 0.600 1.00 10.55 N ATOM 788 CA VAL A 57 -17.549 5.975 1.664 1.00 11.32 C ATOM 789 C VAL A 57 -17.454 5.289 3.022 1.00 11.51 C ATOM 790 O VAL A 57 -18.470 4.989 3.650 1.00 12.15 O ATOM 791 CB VAL A 57 -19.006 6.404 1.416 1.00 12.16 C ATOM 792 CG1 VAL A 57 -19.301 7.726 2.106 1.00 12.89 C ATOM 793 CG2 VAL A 57 -19.286 6.497 -0.077 1.00 11.98 C ATOM 0 H VAL A 57 -17.137 4.107 0.808 1.00 10.55 H new ATOM 0 HA VAL A 57 -16.912 6.859 1.665 1.00 11.32 H new ATOM 0 HB VAL A 57 -19.666 5.647 1.841 1.00 12.16 H new ATOM 0 HG11 VAL A 57 -20.336 8.011 1.918 1.00 12.89 H new ATOM 0 HG12 VAL A 57 -19.143 7.619 3.179 1.00 12.89 H new ATOM 0 HG13 VAL A 57 -18.636 8.496 1.716 1.00 12.89 H new ATOM 0 HG21 VAL A 57 -20.321 6.801 -0.235 1.00 11.98 H new ATOM 0 HG22 VAL A 57 -18.619 7.232 -0.527 1.00 11.98 H new ATOM 0 HG23 VAL A 57 -19.119 5.524 -0.540 1.00 11.98 H new ATOM 803 N LEU A 58 -16.227 5.044 3.470 1.00 11.03 N ATOM 804 CA LEU A 58 -15.998 4.393 4.755 1.00 11.28 C ATOM 805 C LEU A 58 -15.739 5.428 5.849 1.00 11.86 C ATOM 806 O LEU A 58 -15.715 6.629 5.583 1.00 12.01 O ATOM 807 CB LEU A 58 -14.815 3.429 4.655 1.00 10.51 C ATOM 808 CG LEU A 58 -14.158 3.354 3.276 1.00 9.63 C ATOM 809 CD1 LEU A 58 -13.052 4.391 3.154 1.00 9.28 C ATOM 810 CD2 LEU A 58 -13.613 1.956 3.022 1.00 9.14 C ATOM 0 H LEU A 58 -15.376 5.286 2.962 1.00 11.03 H new ATOM 0 HA LEU A 58 -16.894 3.831 5.018 1.00 11.28 H new ATOM 0 HB2 LEU A 58 -14.061 3.725 5.384 1.00 10.51 H new ATOM 0 HB3 LEU A 58 -15.154 2.431 4.934 1.00 10.51 H new ATOM 0 HG LEU A 58 -14.914 3.571 2.521 1.00 9.63 H new ATOM 0 HD11 LEU A 58 -12.596 4.322 2.166 1.00 9.28 H new ATOM 0 HD12 LEU A 58 -13.471 5.388 3.292 1.00 9.28 H new ATOM 0 HD13 LEU A 58 -12.295 4.207 3.916 1.00 9.28 H new ATOM 0 HD21 LEU A 58 -13.149 1.920 2.036 1.00 9.14 H new ATOM 0 HD22 LEU A 58 -12.871 1.711 3.782 1.00 9.14 H new ATOM 0 HD23 LEU A 58 -14.429 1.234 3.066 1.00 9.14 H new ATOM 822 N PRO A 59 -15.542 4.974 7.097 1.00 12.26 N ATOM 823 CA PRO A 59 -15.565 3.547 7.447 1.00 12.21 C ATOM 824 C PRO A 59 -16.907 2.894 7.132 1.00 12.58 C ATOM 825 O PRO A 59 -17.959 3.516 7.272 1.00 13.21 O ATOM 826 CB PRO A 59 -15.313 3.538 8.959 1.00 12.89 C ATOM 827 CG PRO A 59 -14.690 4.859 9.258 1.00 13.00 C ATOM 828 CD PRO A 59 -15.280 5.823 8.270 1.00 12.90 C ATOM 0 HA PRO A 59 -14.828 2.981 6.877 1.00 12.21 H new ATOM 0 HB2 PRO A 59 -16.243 3.407 9.513 1.00 12.89 H new ATOM 0 HB3 PRO A 59 -14.654 2.718 9.244 1.00 12.89 H new ATOM 0 HG2 PRO A 59 -14.903 5.169 10.281 1.00 13.00 H new ATOM 0 HG3 PRO A 59 -13.606 4.811 9.158 1.00 13.00 H new ATOM 0 HD2 PRO A 59 -16.194 6.281 8.649 1.00 12.90 H new ATOM 0 HD3 PRO A 59 -14.590 6.634 8.036 1.00 12.90 H new ATOM 836 N PHE A 60 -16.861 1.636 6.707 1.00 12.25 N ATOM 837 CA PHE A 60 -18.073 0.897 6.373 1.00 12.62 C ATOM 838 C PHE A 60 -18.007 -0.528 6.913 1.00 12.87 C ATOM 839 O PHE A 60 -17.156 -1.318 6.505 1.00 12.32 O ATOM 840 CB PHE A 60 -18.278 0.872 4.858 1.00 11.98 C ATOM 841 CG PHE A 60 -17.504 -0.212 4.164 1.00 11.23 C ATOM 842 CD1 PHE A 60 -16.218 0.022 3.707 1.00 10.42 C ATOM 843 CD2 PHE A 60 -18.063 -1.465 3.969 1.00 11.41 C ATOM 844 CE1 PHE A 60 -15.502 -0.973 3.069 1.00 9.78 C ATOM 845 CE2 PHE A 60 -17.353 -2.464 3.331 1.00 10.81 C ATOM 846 CZ PHE A 60 -16.070 -2.218 2.881 1.00 9.98 C ATOM 0 H PHE A 60 -15.998 1.107 6.586 1.00 12.25 H new ATOM 0 HA PHE A 60 -18.918 1.404 6.839 1.00 12.62 H new ATOM 0 HB2 PHE A 60 -19.339 0.742 4.646 1.00 11.98 H new ATOM 0 HB3 PHE A 60 -17.986 1.837 4.444 1.00 11.98 H new ATOM 0 HD1 PHE A 60 -15.769 0.994 3.851 1.00 10.42 H new ATOM 0 HD2 PHE A 60 -19.065 -1.663 4.320 1.00 11.41 H new ATOM 0 HE1 PHE A 60 -14.500 -0.777 2.718 1.00 9.78 H new ATOM 0 HE2 PHE A 60 -17.800 -3.436 3.184 1.00 10.81 H new ATOM 0 HZ PHE A 60 -15.512 -2.998 2.383 1.00 9.98 H new ATOM 856 N THR A 61 -18.911 -0.850 7.833 1.00 13.77 N ATOM 857 CA THR A 61 -18.958 -2.176 8.430 1.00 14.18 C ATOM 858 C THR A 61 -19.666 -3.168 7.512 1.00 14.12 C ATOM 859 O THR A 61 -20.514 -2.784 6.706 1.00 14.12 O ATOM 860 CB THR A 61 -19.679 -2.148 9.787 1.00 15.25 C ATOM 861 OG1 THR A 61 -20.833 -1.302 9.711 1.00 15.60 O ATOM 862 CG2 THR A 61 -18.752 -1.649 10.885 1.00 15.51 C ATOM 0 H THR A 61 -19.622 -0.207 8.181 1.00 13.77 H new ATOM 0 HA THR A 61 -17.927 -2.496 8.578 1.00 14.18 H new ATOM 0 HB THR A 61 -19.988 -3.165 10.029 1.00 15.25 H new ATOM 0 HG1 THR A 61 -21.288 -1.291 10.579 1.00 15.60 H new ATOM 0 HG21 THR A 61 -19.286 -1.639 11.835 1.00 15.51 H new ATOM 0 HG22 THR A 61 -17.889 -2.310 10.961 1.00 15.51 H new ATOM 0 HG23 THR A 61 -18.416 -0.640 10.647 1.00 15.51 H new ATOM 870 N TYR A 62 -19.316 -4.444 7.640 1.00 14.13 N ATOM 871 CA TYR A 62 -19.923 -5.488 6.823 1.00 14.15 C ATOM 872 C TYR A 62 -19.695 -6.866 7.437 1.00 14.58 C ATOM 873 O TYR A 62 -18.566 -7.234 7.765 1.00 14.36 O ATOM 874 CB TYR A 62 -19.360 -5.449 5.400 1.00 13.19 C ATOM 875 CG TYR A 62 -19.603 -6.718 4.617 1.00 13.14 C ATOM 876 CD1 TYR A 62 -18.754 -7.811 4.746 1.00 12.91 C ATOM 877 CD2 TYR A 62 -20.682 -6.825 3.750 1.00 13.42 C ATOM 878 CE1 TYR A 62 -18.974 -8.973 4.032 1.00 12.96 C ATOM 879 CE2 TYR A 62 -20.910 -7.984 3.032 1.00 13.45 C ATOM 880 CZ TYR A 62 -20.053 -9.055 3.177 1.00 13.22 C ATOM 881 OH TYR A 62 -20.276 -10.210 2.464 1.00 13.32 O ATOM 0 H TYR A 62 -18.616 -4.779 8.301 1.00 14.13 H new ATOM 0 HA TYR A 62 -20.996 -5.302 6.785 1.00 14.15 H new ATOM 0 HB2 TYR A 62 -19.806 -4.611 4.865 1.00 13.19 H new ATOM 0 HB3 TYR A 62 -18.287 -5.262 5.448 1.00 13.19 H new ATOM 0 HD1 TYR A 62 -17.909 -7.751 5.415 1.00 12.91 H new ATOM 0 HD2 TYR A 62 -21.355 -5.988 3.635 1.00 13.42 H new ATOM 0 HE1 TYR A 62 -18.304 -9.813 4.143 1.00 12.96 H new ATOM 0 HE2 TYR A 62 -21.754 -8.051 2.362 1.00 13.45 H new ATOM 0 HH TYR A 62 -21.077 -10.103 1.910 1.00 13.32 H new ATOM 891 N ASN A 63 -20.779 -7.622 7.595 1.00 15.26 N ATOM 892 CA ASN A 63 -20.714 -8.964 8.169 1.00 15.80 C ATOM 893 C ASN A 63 -20.541 -8.923 9.690 1.00 16.51 C ATOM 894 O ASN A 63 -20.669 -9.947 10.361 1.00 17.12 O ATOM 895 CB ASN A 63 -19.578 -9.767 7.520 1.00 15.19 C ATOM 896 CG ASN A 63 -18.281 -9.718 8.309 1.00 14.85 C ATOM 897 OD1 ASN A 63 -17.208 -9.283 7.658 1.00 15.33 O flip ATOM 898 ND2 ASN A 63 -18.244 -10.068 9.489 1.00 14.12 N flip ATOM 0 H ASN A 63 -21.719 -7.326 7.332 1.00 15.26 H new ATOM 0 HA ASN A 63 -21.662 -9.459 7.961 1.00 15.80 H new ATOM 0 HB2 ASN A 63 -19.891 -10.806 7.413 1.00 15.19 H new ATOM 0 HB3 ASN A 63 -19.399 -9.383 6.516 1.00 15.19 H new ATOM 0 HD21 ASN A 63 -19.092 -10.396 9.951 1.00 14.12 H new ATOM 0 HD22 ASN A 63 -17.365 -10.030 10.005 1.00 14.12 H new ATOM 905 N GLY A 64 -20.245 -7.743 10.228 1.00 16.46 N ATOM 906 CA GLY A 64 -20.056 -7.610 11.659 1.00 17.16 C ATOM 907 C GLY A 64 -18.731 -6.960 11.997 1.00 16.72 C ATOM 908 O GLY A 64 -18.411 -6.757 13.169 1.00 17.27 O ATOM 0 H GLY A 64 -20.133 -6.879 9.698 1.00 16.46 H new ATOM 0 HA2 GLY A 64 -20.869 -7.017 12.079 1.00 17.16 H new ATOM 0 HA3 GLY A 64 -20.106 -8.594 12.125 1.00 17.16 H new ATOM 912 N ARG A 65 -17.958 -6.632 10.966 1.00 15.75 N ATOM 913 CA ARG A 65 -16.660 -6.001 11.156 1.00 15.26 C ATOM 914 C ARG A 65 -16.652 -4.600 10.545 1.00 14.70 C ATOM 915 O ARG A 65 -17.372 -4.328 9.585 1.00 14.47 O ATOM 916 CB ARG A 65 -15.556 -6.887 10.545 1.00 14.64 C ATOM 917 CG ARG A 65 -14.717 -6.217 9.466 1.00 13.57 C ATOM 918 CD ARG A 65 -13.560 -5.432 10.061 1.00 13.22 C ATOM 919 NE ARG A 65 -12.531 -6.309 10.613 1.00 13.54 N ATOM 920 CZ ARG A 65 -11.253 -5.962 10.727 1.00 13.52 C ATOM 921 NH1 ARG A 65 -10.851 -4.762 10.330 1.00 13.25 N ATOM 922 NH2 ARG A 65 -10.377 -6.814 11.240 1.00 13.88 N ATOM 0 H ARG A 65 -18.210 -6.794 9.991 1.00 15.75 H new ATOM 0 HA ARG A 65 -16.464 -5.896 12.223 1.00 15.26 H new ATOM 0 HB2 ARG A 65 -14.894 -7.220 11.345 1.00 14.64 H new ATOM 0 HB3 ARG A 65 -16.019 -7.779 10.123 1.00 14.64 H new ATOM 0 HG2 ARG A 65 -14.331 -6.974 8.783 1.00 13.57 H new ATOM 0 HG3 ARG A 65 -15.346 -5.549 8.878 1.00 13.57 H new ATOM 0 HD2 ARG A 65 -13.120 -4.796 9.293 1.00 13.22 H new ATOM 0 HD3 ARG A 65 -13.934 -4.773 10.845 1.00 13.22 H new ATOM 0 HE ARG A 65 -12.808 -7.239 10.928 1.00 13.54 H new ATOM 0 HH11 ARG A 65 -11.523 -4.103 9.936 1.00 13.25 H new ATOM 0 HH12 ARG A 65 -9.870 -4.498 10.418 1.00 13.25 H new ATOM 0 HH21 ARG A 65 -10.683 -7.737 11.548 1.00 13.88 H new ATOM 0 HH22 ARG A 65 -9.396 -6.547 11.327 1.00 13.88 H new ATOM 936 N THR A 66 -15.836 -3.716 11.108 1.00 14.55 N ATOM 937 CA THR A 66 -15.739 -2.348 10.614 1.00 14.09 C ATOM 938 C THR A 66 -14.521 -2.173 9.715 1.00 13.05 C ATOM 939 O THR A 66 -13.385 -2.136 10.190 1.00 12.89 O ATOM 940 CB THR A 66 -15.659 -1.336 11.771 1.00 14.69 C ATOM 941 OG1 THR A 66 -16.626 -1.662 12.777 1.00 15.66 O ATOM 942 CG2 THR A 66 -15.901 0.080 11.270 1.00 14.35 C ATOM 0 H THR A 66 -15.234 -3.922 11.905 1.00 14.55 H new ATOM 0 HA THR A 66 -16.644 -2.156 10.037 1.00 14.09 H new ATOM 0 HB THR A 66 -14.658 -1.388 12.199 1.00 14.69 H new ATOM 0 HG1 THR A 66 -16.567 -1.014 13.510 1.00 15.66 H new ATOM 0 HG21 THR A 66 -15.839 0.777 12.106 1.00 14.35 H new ATOM 0 HG22 THR A 66 -15.146 0.337 10.527 1.00 14.35 H new ATOM 0 HG23 THR A 66 -16.891 0.142 10.818 1.00 14.35 H new ATOM 950 N PHE A 67 -14.764 -2.066 8.412 1.00 12.39 N ATOM 951 CA PHE A 67 -13.687 -1.896 7.444 1.00 11.39 C ATOM 952 C PHE A 67 -13.459 -0.418 7.139 1.00 11.05 C ATOM 953 O PHE A 67 -14.392 0.306 6.796 1.00 11.29 O ATOM 954 CB PHE A 67 -14.010 -2.651 6.153 1.00 10.85 C ATOM 955 CG PHE A 67 -14.578 -4.021 6.385 1.00 11.33 C ATOM 956 CD1 PHE A 67 -15.925 -4.190 6.666 1.00 12.11 C ATOM 957 CD2 PHE A 67 -13.766 -5.143 6.324 1.00 11.05 C ATOM 958 CE1 PHE A 67 -16.451 -5.450 6.880 1.00 12.59 C ATOM 959 CE2 PHE A 67 -14.286 -6.405 6.537 1.00 11.57 C ATOM 960 CZ PHE A 67 -15.631 -6.559 6.815 1.00 12.33 C ATOM 0 H PHE A 67 -15.698 -2.094 8.003 1.00 12.39 H new ATOM 0 HA PHE A 67 -12.774 -2.305 7.877 1.00 11.39 H new ATOM 0 HB2 PHE A 67 -14.720 -2.067 5.568 1.00 10.85 H new ATOM 0 HB3 PHE A 67 -13.102 -2.739 5.557 1.00 10.85 H new ATOM 0 HD1 PHE A 67 -16.571 -3.326 6.718 1.00 12.11 H new ATOM 0 HD2 PHE A 67 -12.714 -5.029 6.107 1.00 11.05 H new ATOM 0 HE1 PHE A 67 -17.502 -5.567 7.098 1.00 12.59 H new ATOM 0 HE2 PHE A 67 -13.642 -7.271 6.486 1.00 11.57 H new ATOM 0 HZ PHE A 67 -16.040 -7.545 6.981 1.00 12.33 H new ATOM 970 N TYR A 68 -12.211 0.020 7.266 1.00 10.56 N ATOM 971 CA TYR A 68 -11.858 1.411 7.004 1.00 10.27 C ATOM 972 C TYR A 68 -11.518 1.617 5.531 1.00 9.28 C ATOM 973 O TYR A 68 -11.616 2.728 5.011 1.00 9.01 O ATOM 974 CB TYR A 68 -10.676 1.833 7.876 1.00 10.51 C ATOM 975 CG TYR A 68 -11.076 2.282 9.264 1.00 11.52 C ATOM 976 CD1 TYR A 68 -11.704 1.409 10.143 1.00 12.14 C ATOM 977 CD2 TYR A 68 -10.824 3.578 9.694 1.00 11.90 C ATOM 978 CE1 TYR A 68 -12.071 1.816 11.412 1.00 13.07 C ATOM 979 CE2 TYR A 68 -11.188 3.993 10.961 1.00 12.83 C ATOM 980 CZ TYR A 68 -11.811 3.108 11.816 1.00 13.39 C ATOM 981 OH TYR A 68 -12.175 3.517 13.079 1.00 14.33 O ATOM 0 H TYR A 68 -11.427 -0.568 7.549 1.00 10.56 H new ATOM 0 HA TYR A 68 -12.720 2.031 7.250 1.00 10.27 H new ATOM 0 HB2 TYR A 68 -9.981 0.998 7.960 1.00 10.51 H new ATOM 0 HB3 TYR A 68 -10.142 2.644 7.381 1.00 10.51 H new ATOM 0 HD1 TYR A 68 -11.909 0.396 9.830 1.00 12.14 H new ATOM 0 HD2 TYR A 68 -10.335 4.273 9.027 1.00 11.90 H new ATOM 0 HE1 TYR A 68 -12.559 1.125 12.084 1.00 13.07 H new ATOM 0 HE2 TYR A 68 -10.986 5.005 11.280 1.00 12.83 H new ATOM 0 HH TYR A 68 -11.920 4.455 13.206 1.00 14.33 H new ATOM 991 N SER A 69 -11.121 0.537 4.865 1.00 8.80 N ATOM 992 CA SER A 69 -10.766 0.600 3.452 1.00 7.88 C ATOM 993 C SER A 69 -11.391 -0.560 2.684 1.00 7.68 C ATOM 994 O SER A 69 -12.326 -1.203 3.163 1.00 8.25 O ATOM 995 CB SER A 69 -9.246 0.578 3.285 1.00 7.30 C ATOM 996 OG SER A 69 -8.608 1.314 4.314 1.00 7.22 O ATOM 0 H SER A 69 -11.037 -0.391 5.281 1.00 8.80 H new ATOM 0 HA SER A 69 -11.155 1.534 3.046 1.00 7.88 H new ATOM 0 HB2 SER A 69 -8.891 -0.452 3.297 1.00 7.30 H new ATOM 0 HB3 SER A 69 -8.978 0.996 2.315 1.00 7.30 H new ATOM 0 HG SER A 69 -7.637 1.283 4.185 1.00 7.22 H new ATOM 1002 N CYS A 70 -10.869 -0.823 1.490 1.00 6.97 N ATOM 1003 CA CYS A 70 -11.375 -1.907 0.657 1.00 6.83 C ATOM 1004 C CYS A 70 -11.107 -3.262 1.302 1.00 7.13 C ATOM 1005 O CYS A 70 -10.180 -3.407 2.100 1.00 7.24 O ATOM 1006 CB CYS A 70 -10.734 -1.854 -0.731 1.00 6.05 C ATOM 1007 SG CYS A 70 -11.208 -0.395 -1.715 1.00 5.96 S ATOM 0 H CYS A 70 -10.096 -0.300 1.078 1.00 6.97 H new ATOM 0 HA CYS A 70 -12.453 -1.780 0.557 1.00 6.83 H new ATOM 0 HB2 CYS A 70 -9.650 -1.867 -0.619 1.00 6.05 H new ATOM 0 HB3 CYS A 70 -11.008 -2.754 -1.281 1.00 6.05 H new ATOM 1012 N THR A 71 -11.923 -4.252 0.952 1.00 7.39 N ATOM 1013 CA THR A 71 -11.773 -5.595 1.498 1.00 7.84 C ATOM 1014 C THR A 71 -12.395 -6.636 0.575 1.00 7.93 C ATOM 1015 O THR A 71 -13.391 -6.368 -0.096 1.00 7.89 O ATOM 1016 CB THR A 71 -12.419 -5.711 2.892 1.00 8.74 C ATOM 1017 OG1 THR A 71 -11.913 -6.865 3.574 1.00 9.18 O ATOM 1018 CG2 THR A 71 -13.933 -5.806 2.779 1.00 9.26 C ATOM 0 H THR A 71 -12.694 -4.148 0.293 1.00 7.39 H new ATOM 0 HA THR A 71 -10.703 -5.783 1.585 1.00 7.84 H new ATOM 0 HB THR A 71 -12.167 -4.816 3.460 1.00 8.74 H new ATOM 0 HG1 THR A 71 -11.915 -6.701 4.540 1.00 9.18 H new ATOM 0 HG21 THR A 71 -14.368 -5.887 3.775 1.00 9.26 H new ATOM 0 HG22 THR A 71 -14.318 -4.913 2.287 1.00 9.26 H new ATOM 0 HG23 THR A 71 -14.200 -6.686 2.194 1.00 9.26 H new ATOM 1026 N THR A 72 -11.801 -7.824 0.546 1.00 8.17 N ATOM 1027 CA THR A 72 -12.299 -8.906 -0.295 1.00 8.40 C ATOM 1028 C THR A 72 -13.413 -9.678 0.404 1.00 9.29 C ATOM 1029 O THR A 72 -13.844 -10.730 -0.069 1.00 9.61 O ATOM 1030 CB THR A 72 -11.172 -9.887 -0.674 1.00 8.24 C ATOM 1031 OG1 THR A 72 -10.247 -10.015 0.411 1.00 8.47 O ATOM 1032 CG2 THR A 72 -10.438 -9.412 -1.919 1.00 7.55 C ATOM 0 H THR A 72 -10.975 -8.062 1.095 1.00 8.17 H new ATOM 0 HA THR A 72 -12.692 -8.446 -1.202 1.00 8.40 H new ATOM 0 HB THR A 72 -11.621 -10.858 -0.884 1.00 8.24 H new ATOM 0 HG1 THR A 72 -9.536 -10.641 0.162 1.00 8.47 H new ATOM 0 HG21 THR A 72 -9.647 -10.120 -2.167 1.00 7.55 H new ATOM 0 HG22 THR A 72 -11.139 -9.344 -2.751 1.00 7.55 H new ATOM 0 HG23 THR A 72 -10.001 -8.431 -1.732 1.00 7.55 H new ATOM 1040 N GLU A 73 -13.877 -9.150 1.532 1.00 9.76 N ATOM 1041 CA GLU A 73 -14.942 -9.789 2.295 1.00 10.67 C ATOM 1042 C GLU A 73 -16.095 -10.198 1.383 1.00 10.92 C ATOM 1043 O GLU A 73 -16.781 -9.349 0.816 1.00 11.07 O ATOM 1044 CB GLU A 73 -15.451 -8.848 3.388 1.00 11.15 C ATOM 1045 CG GLU A 73 -14.646 -8.919 4.675 1.00 11.74 C ATOM 1046 CD GLU A 73 -14.294 -10.341 5.064 1.00 11.85 C ATOM 1047 OE1 GLU A 73 -15.222 -11.121 5.366 1.00 11.97 O ATOM 1048 OE2 GLU A 73 -13.090 -10.675 5.069 1.00 11.99 O ATOM 0 H GLU A 73 -13.531 -8.280 1.938 1.00 9.76 H new ATOM 0 HA GLU A 73 -14.533 -10.686 2.759 1.00 10.67 H new ATOM 0 HB2 GLU A 73 -15.431 -7.825 3.013 1.00 11.15 H new ATOM 0 HB3 GLU A 73 -16.492 -9.088 3.606 1.00 11.15 H new ATOM 0 HG2 GLU A 73 -13.730 -8.341 4.558 1.00 11.74 H new ATOM 0 HG3 GLU A 73 -15.215 -8.456 5.481 1.00 11.74 H new ATOM 1055 N GLY A 74 -16.301 -11.504 1.247 1.00 11.06 N ATOM 1056 CA GLY A 74 -17.370 -12.002 0.404 1.00 11.37 C ATOM 1057 C GLY A 74 -17.017 -11.953 -1.070 1.00 10.85 C ATOM 1058 O GLY A 74 -17.776 -12.430 -1.913 1.00 11.18 O ATOM 0 H GLY A 74 -15.746 -12.226 1.706 1.00 11.06 H new ATOM 0 HA2 GLY A 74 -17.601 -13.029 0.685 1.00 11.37 H new ATOM 0 HA3 GLY A 74 -18.271 -11.413 0.579 1.00 11.37 H new ATOM 1062 N ARG A 75 -15.862 -11.374 -1.381 1.00 10.10 N ATOM 1063 CA ARG A 75 -15.410 -11.263 -2.762 1.00 9.66 C ATOM 1064 C ARG A 75 -14.908 -12.608 -3.281 1.00 9.80 C ATOM 1065 O ARG A 75 -13.974 -13.189 -2.727 1.00 9.90 O ATOM 1066 CB ARG A 75 -14.301 -10.216 -2.877 1.00 8.91 C ATOM 1067 CG ARG A 75 -14.599 -9.124 -3.892 1.00 9.08 C ATOM 1068 CD ARG A 75 -16.044 -8.663 -3.809 1.00 9.42 C ATOM 1069 NE ARG A 75 -16.839 -9.145 -4.934 1.00 9.58 N ATOM 1070 CZ ARG A 75 -18.152 -9.342 -4.879 1.00 9.99 C ATOM 1071 NH1 ARG A 75 -18.815 -9.096 -3.756 1.00 10.26 N ATOM 1072 NH2 ARG A 75 -18.804 -9.784 -5.945 1.00 10.29 N ATOM 0 H ARG A 75 -15.222 -10.974 -0.695 1.00 10.10 H new ATOM 0 HA ARG A 75 -16.259 -10.952 -3.370 1.00 9.66 H new ATOM 0 HB2 ARG A 75 -14.141 -9.759 -1.900 1.00 8.91 H new ATOM 0 HB3 ARG A 75 -13.371 -10.713 -3.153 1.00 8.91 H new ATOM 0 HG2 ARG A 75 -13.936 -8.276 -3.721 1.00 9.08 H new ATOM 0 HG3 ARG A 75 -14.391 -9.493 -4.896 1.00 9.08 H new ATOM 0 HD2 ARG A 75 -16.484 -9.017 -2.877 1.00 9.42 H new ATOM 0 HD3 ARG A 75 -16.076 -7.574 -3.783 1.00 9.42 H new ATOM 0 HE ARG A 75 -16.359 -9.342 -5.812 1.00 9.58 H new ATOM 0 HH11 ARG A 75 -18.317 -8.755 -2.934 1.00 10.26 H new ATOM 0 HH12 ARG A 75 -19.823 -9.248 -3.715 1.00 10.26 H new ATOM 0 HH21 ARG A 75 -18.298 -9.974 -6.810 1.00 10.29 H new ATOM 0 HH22 ARG A 75 -19.812 -9.934 -5.900 1.00 10.29 H new ATOM 1086 N GLN A 76 -15.535 -13.097 -4.345 1.00 9.94 N ATOM 1087 CA GLN A 76 -15.153 -14.373 -4.938 1.00 10.22 C ATOM 1088 C GLN A 76 -14.571 -14.172 -6.333 1.00 9.95 C ATOM 1089 O GLN A 76 -14.418 -15.126 -7.097 1.00 10.33 O ATOM 1090 CB GLN A 76 -16.360 -15.310 -5.006 1.00 10.88 C ATOM 1091 CG GLN A 76 -17.039 -15.526 -3.663 1.00 11.56 C ATOM 1092 CD GLN A 76 -16.287 -16.504 -2.780 1.00 12.37 C ATOM 1093 OE1 GLN A 76 -16.047 -16.236 -1.603 1.00 12.78 O ATOM 1094 NE2 GLN A 76 -15.911 -17.644 -3.346 1.00 12.79 N ATOM 0 H GLN A 76 -16.310 -12.629 -4.815 1.00 9.94 H new ATOM 0 HA GLN A 76 -14.388 -14.824 -4.306 1.00 10.22 H new ATOM 0 HB2 GLN A 76 -17.086 -14.903 -5.710 1.00 10.88 H new ATOM 0 HB3 GLN A 76 -16.039 -16.274 -5.401 1.00 10.88 H new ATOM 0 HG2 GLN A 76 -17.128 -14.570 -3.147 1.00 11.56 H new ATOM 0 HG3 GLN A 76 -18.052 -15.895 -3.827 1.00 11.56 H new ATOM 0 HE21 GLN A 76 -16.132 -17.824 -4.325 1.00 12.79 H new ATOM 0 HE22 GLN A 76 -15.402 -18.340 -2.802 1.00 12.79 H new ATOM 1103 N ASP A 77 -14.248 -12.925 -6.661 1.00 9.38 N ATOM 1104 CA ASP A 77 -13.684 -12.599 -7.965 1.00 9.22 C ATOM 1105 C ASP A 77 -12.190 -12.310 -7.854 1.00 8.74 C ATOM 1106 O ASP A 77 -11.486 -12.241 -8.861 1.00 8.72 O ATOM 1107 CB ASP A 77 -14.405 -11.392 -8.568 1.00 9.38 C ATOM 1108 CG ASP A 77 -15.088 -10.539 -7.518 1.00 9.60 C ATOM 1109 OD1 ASP A 77 -16.267 -10.812 -7.207 1.00 9.81 O ATOM 1110 OD2 ASP A 77 -14.445 -9.598 -7.006 1.00 9.70 O ATOM 0 H ASP A 77 -14.367 -12.124 -6.041 1.00 9.38 H new ATOM 0 HA ASP A 77 -13.822 -13.460 -8.619 1.00 9.22 H new ATOM 0 HB2 ASP A 77 -13.688 -10.782 -9.117 1.00 9.38 H new ATOM 0 HB3 ASP A 77 -15.146 -11.738 -9.288 1.00 9.38 H new ATOM 1115 N GLY A 78 -11.714 -12.143 -6.625 1.00 8.50 N ATOM 1116 CA GLY A 78 -10.307 -11.864 -6.406 1.00 8.10 C ATOM 1117 C GLY A 78 -10.065 -10.449 -5.920 1.00 7.38 C ATOM 1118 O GLY A 78 -9.482 -10.241 -4.857 1.00 7.12 O ATOM 0 H GLY A 78 -12.277 -12.196 -5.776 1.00 8.50 H new ATOM 0 HA2 GLY A 78 -9.910 -12.569 -5.676 1.00 8.10 H new ATOM 0 HA3 GLY A 78 -9.759 -12.025 -7.335 1.00 8.10 H new ATOM 1122 N HIS A 79 -10.512 -9.473 -6.703 1.00 7.19 N ATOM 1123 CA HIS A 79 -10.341 -8.068 -6.348 1.00 6.63 C ATOM 1124 C HIS A 79 -11.065 -7.745 -5.045 1.00 6.66 C ATOM 1125 O HIS A 79 -11.721 -8.605 -4.458 1.00 7.18 O ATOM 1126 CB HIS A 79 -10.861 -7.169 -7.471 1.00 6.77 C ATOM 1127 CG HIS A 79 -10.686 -7.756 -8.837 1.00 7.01 C ATOM 1128 ND1 HIS A 79 -11.663 -7.707 -9.809 1.00 7.30 N ATOM 1129 CD2 HIS A 79 -9.638 -8.409 -9.393 1.00 7.29 C ATOM 1130 CE1 HIS A 79 -11.225 -8.305 -10.902 1.00 7.65 C ATOM 1131 NE2 HIS A 79 -9.998 -8.738 -10.677 1.00 7.65 N ATOM 0 H HIS A 79 -10.995 -9.629 -7.588 1.00 7.19 H new ATOM 0 HA HIS A 79 -9.276 -7.881 -6.207 1.00 6.63 H new ATOM 0 HB2 HIS A 79 -11.919 -6.968 -7.304 1.00 6.77 H new ATOM 0 HB3 HIS A 79 -10.344 -6.211 -7.427 1.00 6.77 H new ATOM 0 HD2 HIS A 79 -8.695 -8.630 -8.916 1.00 7.29 H new ATOM 0 HE1 HIS A 79 -11.777 -8.420 -11.823 1.00 7.65 H new ATOM 0 HE2 HIS A 79 -9.413 -9.236 -11.348 1.00 7.65 H new ATOM 1140 N LEU A 80 -10.941 -6.499 -4.598 1.00 6.25 N ATOM 1141 CA LEU A 80 -11.584 -6.063 -3.364 1.00 6.48 C ATOM 1142 C LEU A 80 -12.803 -5.195 -3.661 1.00 6.74 C ATOM 1143 O LEU A 80 -13.205 -5.047 -4.815 1.00 6.63 O ATOM 1144 CB LEU A 80 -10.593 -5.288 -2.494 1.00 6.08 C ATOM 1145 CG LEU A 80 -9.481 -6.134 -1.870 1.00 5.89 C ATOM 1146 CD1 LEU A 80 -8.171 -5.924 -2.613 1.00 5.27 C ATOM 1147 CD2 LEU A 80 -9.321 -5.799 -0.395 1.00 5.97 C ATOM 0 H LEU A 80 -10.402 -5.774 -5.072 1.00 6.25 H new ATOM 0 HA LEU A 80 -11.915 -6.950 -2.825 1.00 6.48 H new ATOM 0 HB2 LEU A 80 -10.137 -4.505 -3.099 1.00 6.08 H new ATOM 0 HB3 LEU A 80 -11.144 -4.793 -1.695 1.00 6.08 H new ATOM 0 HG LEU A 80 -9.758 -7.185 -1.955 1.00 5.89 H new ATOM 0 HD11 LEU A 80 -7.392 -6.533 -2.156 1.00 5.27 H new ATOM 0 HD12 LEU A 80 -8.294 -6.215 -3.656 1.00 5.27 H new ATOM 0 HD13 LEU A 80 -7.887 -4.873 -2.561 1.00 5.27 H new ATOM 0 HD21 LEU A 80 -8.526 -6.410 0.033 1.00 5.97 H new ATOM 0 HD22 LEU A 80 -9.067 -4.745 -0.287 1.00 5.97 H new ATOM 0 HD23 LEU A 80 -10.256 -6.002 0.128 1.00 5.97 H new ATOM 1159 N TRP A 81 -13.385 -4.625 -2.613 1.00 7.25 N ATOM 1160 CA TRP A 81 -14.558 -3.771 -2.760 1.00 7.68 C ATOM 1161 C TRP A 81 -14.717 -2.854 -1.551 1.00 7.90 C ATOM 1162 O TRP A 81 -14.269 -3.178 -0.452 1.00 7.94 O ATOM 1163 CB TRP A 81 -15.815 -4.623 -2.939 1.00 8.40 C ATOM 1164 CG TRP A 81 -16.041 -5.592 -1.819 1.00 8.93 C ATOM 1165 CD1 TRP A 81 -15.459 -6.818 -1.667 1.00 8.93 C ATOM 1166 CD2 TRP A 81 -16.911 -5.418 -0.696 1.00 9.67 C ATOM 1167 NE1 TRP A 81 -15.914 -7.416 -0.517 1.00 9.64 N ATOM 1168 CE2 TRP A 81 -16.806 -6.577 0.097 1.00 10.09 C ATOM 1169 CE3 TRP A 81 -17.768 -4.394 -0.283 1.00 10.11 C ATOM 1170 CZ2 TRP A 81 -17.528 -6.738 1.277 1.00 10.90 C ATOM 1171 CZ3 TRP A 81 -18.482 -4.556 0.889 1.00 10.90 C ATOM 1172 CH2 TRP A 81 -18.359 -5.720 1.658 1.00 11.28 C ATOM 0 H TRP A 81 -13.064 -4.738 -1.652 1.00 7.25 H new ATOM 0 HA TRP A 81 -14.419 -3.152 -3.646 1.00 7.68 H new ATOM 0 HB2 TRP A 81 -16.681 -3.967 -3.022 1.00 8.40 H new ATOM 0 HB3 TRP A 81 -15.741 -5.174 -3.877 1.00 8.40 H new ATOM 0 HD1 TRP A 81 -14.746 -7.254 -2.351 1.00 8.93 H new ATOM 0 HE1 TRP A 81 -15.633 -8.335 -0.176 1.00 9.64 H new ATOM 0 HE3 TRP A 81 -17.870 -3.493 -0.869 1.00 10.11 H new ATOM 0 HZ2 TRP A 81 -17.435 -7.635 1.871 1.00 10.90 H new ATOM 0 HZ3 TRP A 81 -19.147 -3.771 1.218 1.00 10.90 H new ATOM 0 HH2 TRP A 81 -18.931 -5.816 2.569 1.00 11.28 H new ATOM 1183 N CYS A 82 -15.358 -1.710 -1.763 1.00 8.18 N ATOM 1184 CA CYS A 82 -15.577 -0.747 -0.690 1.00 8.55 C ATOM 1185 C CYS A 82 -16.968 -0.129 -0.788 1.00 9.33 C ATOM 1186 O CYS A 82 -17.470 0.125 -1.881 1.00 9.44 O ATOM 1187 CB CYS A 82 -14.515 0.353 -0.740 1.00 8.00 C ATOM 1188 SG CYS A 82 -14.271 1.078 -2.394 1.00 7.93 S ATOM 0 H CYS A 82 -15.735 -1.427 -2.668 1.00 8.18 H new ATOM 0 HA CYS A 82 -15.500 -1.276 0.260 1.00 8.55 H new ATOM 0 HB2 CYS A 82 -14.795 1.145 -0.046 1.00 8.00 H new ATOM 0 HB3 CYS A 82 -13.567 -0.056 -0.391 1.00 8.00 H new ATOM 1193 N SER A 83 -17.586 0.108 0.365 1.00 9.96 N ATOM 1194 CA SER A 83 -18.919 0.696 0.411 1.00 10.77 C ATOM 1195 C SER A 83 -18.923 2.084 -0.222 1.00 10.76 C ATOM 1196 O SER A 83 -18.082 2.925 0.095 1.00 10.56 O ATOM 1197 CB SER A 83 -19.414 0.780 1.856 1.00 11.52 C ATOM 1198 OG SER A 83 -18.838 1.886 2.529 1.00 12.02 O ATOM 0 H SER A 83 -17.184 -0.098 1.280 1.00 9.96 H new ATOM 0 HA SER A 83 -19.591 0.054 -0.158 1.00 10.77 H new ATOM 0 HB2 SER A 83 -20.500 0.869 1.867 1.00 11.52 H new ATOM 0 HB3 SER A 83 -19.164 -0.141 2.383 1.00 11.52 H new ATOM 0 HG SER A 83 -17.868 1.886 2.388 1.00 12.02 H new ATOM 1204 N THR A 84 -19.876 2.316 -1.119 1.00 11.08 N ATOM 1205 CA THR A 84 -19.989 3.603 -1.797 1.00 11.23 C ATOM 1206 C THR A 84 -20.994 4.508 -1.094 1.00 12.15 C ATOM 1207 O THR A 84 -21.640 5.343 -1.726 1.00 12.62 O ATOM 1208 CB THR A 84 -20.413 3.427 -3.266 1.00 11.20 C ATOM 1209 OG1 THR A 84 -21.385 2.380 -3.375 1.00 11.67 O ATOM 1210 CG2 THR A 84 -19.212 3.102 -4.142 1.00 10.32 C ATOM 0 H THR A 84 -20.580 1.631 -1.393 1.00 11.08 H new ATOM 0 HA THR A 84 -19.003 4.066 -1.764 1.00 11.23 H new ATOM 0 HB THR A 84 -20.850 4.365 -3.608 1.00 11.20 H new ATOM 0 HG1 THR A 84 -21.116 1.756 -4.081 1.00 11.67 H new ATOM 0 HG21 THR A 84 -19.537 2.982 -5.175 1.00 10.32 H new ATOM 0 HG22 THR A 84 -18.487 3.914 -4.081 1.00 10.32 H new ATOM 0 HG23 THR A 84 -18.750 2.177 -3.797 1.00 10.32 H new ATOM 1218 N THR A 85 -21.119 4.337 0.218 1.00 12.46 N ATOM 1219 CA THR A 85 -22.046 5.140 1.008 1.00 13.37 C ATOM 1220 C THR A 85 -21.874 4.872 2.499 1.00 13.66 C ATOM 1221 O THR A 85 -21.826 3.720 2.930 1.00 13.56 O ATOM 1222 CB THR A 85 -23.508 4.861 0.613 1.00 14.02 C ATOM 1223 OG1 THR A 85 -23.675 3.473 0.298 1.00 13.73 O ATOM 1224 CG2 THR A 85 -23.916 5.710 -0.581 1.00 14.20 C ATOM 0 H THR A 85 -20.591 3.650 0.756 1.00 12.46 H new ATOM 0 HA THR A 85 -21.814 6.185 0.801 1.00 13.37 H new ATOM 0 HB THR A 85 -24.146 5.120 1.458 1.00 14.02 H new ATOM 0 HG1 THR A 85 -24.210 3.041 0.996 1.00 13.73 H new ATOM 0 HG21 THR A 85 -24.952 5.496 -0.842 1.00 14.20 H new ATOM 0 HG22 THR A 85 -23.816 6.766 -0.328 1.00 14.20 H new ATOM 0 HG23 THR A 85 -23.273 5.478 -1.430 1.00 14.20 H new ATOM 1232 N SER A 86 -21.783 5.942 3.281 1.00 14.09 N ATOM 1233 CA SER A 86 -21.616 5.822 4.725 1.00 14.48 C ATOM 1234 C SER A 86 -22.404 4.634 5.264 1.00 14.93 C ATOM 1235 O SER A 86 -21.858 3.779 5.963 1.00 14.80 O ATOM 1236 CB SER A 86 -22.069 7.107 5.420 1.00 15.24 C ATOM 1237 OG SER A 86 -22.377 6.869 6.782 1.00 15.94 O ATOM 0 H SER A 86 -21.822 6.902 2.939 1.00 14.09 H new ATOM 0 HA SER A 86 -20.558 5.659 4.932 1.00 14.48 H new ATOM 0 HB2 SER A 86 -21.284 7.859 5.348 1.00 15.24 H new ATOM 0 HB3 SER A 86 -22.945 7.510 4.911 1.00 15.24 H new ATOM 0 HG SER A 86 -22.662 7.706 7.204 1.00 15.94 H new ATOM 1243 N ASN A 87 -23.691 4.585 4.935 1.00 15.52 N ATOM 1244 CA ASN A 87 -24.555 3.499 5.385 1.00 16.04 C ATOM 1245 C ASN A 87 -24.630 2.397 4.334 1.00 15.57 C ATOM 1246 O ASN A 87 -25.624 2.269 3.621 1.00 15.86 O ATOM 1247 CB ASN A 87 -25.957 4.030 5.688 1.00 17.01 C ATOM 1248 CG ASN A 87 -25.933 5.430 6.268 1.00 17.39 C ATOM 1249 OD1 ASN A 87 -25.626 6.398 5.571 1.00 17.60 O ATOM 1250 ND2 ASN A 87 -26.259 5.546 7.550 1.00 17.59 N ATOM 0 H ASN A 87 -24.159 5.285 4.358 1.00 15.52 H new ATOM 0 HA ASN A 87 -24.129 3.079 6.296 1.00 16.04 H new ATOM 0 HB2 ASN A 87 -26.548 4.029 4.772 1.00 17.01 H new ATOM 0 HB3 ASN A 87 -26.453 3.358 6.388 1.00 17.01 H new ATOM 0 HD21 ASN A 87 -26.262 6.464 7.995 1.00 17.59 H new ATOM 0 HD22 ASN A 87 -26.507 4.717 8.090 1.00 17.59 H new ATOM 1257 N TYR A 88 -23.568 1.603 4.243 1.00 14.90 N ATOM 1258 CA TYR A 88 -23.505 0.510 3.279 1.00 14.45 C ATOM 1259 C TYR A 88 -24.807 -0.285 3.265 1.00 15.18 C ATOM 1260 O TYR A 88 -25.602 -0.174 2.334 1.00 15.25 O ATOM 1261 CB TYR A 88 -22.332 -0.417 3.606 1.00 13.81 C ATOM 1262 CG TYR A 88 -22.458 -1.795 2.994 1.00 13.56 C ATOM 1263 CD1 TYR A 88 -22.369 -1.977 1.620 1.00 13.01 C ATOM 1264 CD2 TYR A 88 -22.665 -2.914 3.793 1.00 13.96 C ATOM 1265 CE1 TYR A 88 -22.484 -3.235 1.059 1.00 12.85 C ATOM 1266 CE2 TYR A 88 -22.780 -4.173 3.239 1.00 13.80 C ATOM 1267 CZ TYR A 88 -22.689 -4.329 1.872 1.00 13.24 C ATOM 1268 OH TYR A 88 -22.804 -5.582 1.316 1.00 13.16 O ATOM 0 H TYR A 88 -22.737 1.697 4.827 1.00 14.90 H new ATOM 0 HA TYR A 88 -23.356 0.942 2.289 1.00 14.45 H new ATOM 0 HB2 TYR A 88 -21.408 0.043 3.256 1.00 13.81 H new ATOM 0 HB3 TYR A 88 -22.249 -0.516 4.688 1.00 13.81 H new ATOM 0 HD1 TYR A 88 -22.207 -1.122 0.980 1.00 13.01 H new ATOM 0 HD2 TYR A 88 -22.737 -2.796 4.864 1.00 13.96 H new ATOM 0 HE1 TYR A 88 -22.414 -3.360 -0.011 1.00 12.85 H new ATOM 0 HE2 TYR A 88 -22.941 -5.032 3.873 1.00 13.80 H new ATOM 0 HH TYR A 88 -22.252 -6.216 1.820 1.00 13.16 H new ATOM 1278 N GLU A 89 -25.014 -1.091 4.300 1.00 15.77 N ATOM 1279 CA GLU A 89 -26.217 -1.911 4.405 1.00 16.53 C ATOM 1280 C GLU A 89 -27.466 -1.109 4.053 1.00 17.12 C ATOM 1281 O GLU A 89 -28.482 -1.673 3.646 1.00 17.62 O ATOM 1282 CB GLU A 89 -26.347 -2.482 5.818 1.00 17.19 C ATOM 1283 CG GLU A 89 -25.084 -3.165 6.318 1.00 16.98 C ATOM 1284 CD GLU A 89 -25.371 -4.245 7.341 1.00 17.64 C ATOM 1285 OE1 GLU A 89 -25.750 -5.363 6.934 1.00 18.00 O ATOM 1286 OE2 GLU A 89 -25.215 -3.974 8.550 1.00 17.89 O ATOM 0 H GLU A 89 -24.364 -1.195 5.079 1.00 15.77 H new ATOM 0 HA GLU A 89 -26.126 -2.731 3.692 1.00 16.53 H new ATOM 0 HB2 GLU A 89 -26.610 -1.676 6.503 1.00 17.19 H new ATOM 0 HB3 GLU A 89 -27.169 -3.198 5.837 1.00 17.19 H new ATOM 0 HG2 GLU A 89 -24.553 -3.603 5.473 1.00 16.98 H new ATOM 0 HG3 GLU A 89 -24.422 -2.419 6.758 1.00 16.98 H new ATOM 1293 N GLN A 90 -27.386 0.208 4.213 1.00 17.11 N ATOM 1294 CA GLN A 90 -28.514 1.083 3.914 1.00 17.71 C ATOM 1295 C GLN A 90 -28.785 1.143 2.413 1.00 17.29 C ATOM 1296 O GLN A 90 -29.856 0.752 1.950 1.00 17.66 O ATOM 1297 CB GLN A 90 -28.250 2.490 4.452 1.00 17.99 C ATOM 1298 CG GLN A 90 -29.516 3.258 4.796 1.00 19.00 C ATOM 1299 CD GLN A 90 -29.851 4.321 3.770 1.00 19.35 C ATOM 1300 OE1 GLN A 90 -30.476 4.040 2.748 1.00 19.41 O ATOM 1301 NE2 GLN A 90 -29.435 5.555 4.038 1.00 19.69 N ATOM 0 H GLN A 90 -26.553 0.692 4.548 1.00 17.11 H new ATOM 0 HA GLN A 90 -29.396 0.670 4.404 1.00 17.71 H new ATOM 0 HB2 GLN A 90 -27.626 2.418 5.342 1.00 17.99 H new ATOM 0 HB3 GLN A 90 -27.684 3.053 3.710 1.00 17.99 H new ATOM 0 HG2 GLN A 90 -30.349 2.560 4.876 1.00 19.00 H new ATOM 0 HG3 GLN A 90 -29.398 3.726 5.773 1.00 19.00 H new ATOM 0 HE21 GLN A 90 -28.920 5.744 4.898 1.00 19.69 H new ATOM 0 HE22 GLN A 90 -29.631 6.313 3.384 1.00 19.69 H new ATOM 1310 N ASP A 91 -27.811 1.642 1.657 1.00 16.57 N ATOM 1311 CA ASP A 91 -27.951 1.758 0.209 1.00 16.18 C ATOM 1312 C ASP A 91 -27.328 0.563 -0.507 1.00 15.61 C ATOM 1313 O ASP A 91 -27.290 0.515 -1.736 1.00 15.64 O ATOM 1314 CB ASP A 91 -27.304 3.054 -0.283 1.00 15.69 C ATOM 1315 CG ASP A 91 -28.025 4.288 0.224 1.00 16.12 C ATOM 1316 OD1 ASP A 91 -29.140 4.565 -0.264 1.00 16.20 O ATOM 1317 OD2 ASP A 91 -27.472 4.978 1.107 1.00 16.47 O ATOM 0 H ASP A 91 -26.918 1.972 2.022 1.00 16.57 H new ATOM 0 HA ASP A 91 -29.016 1.776 -0.022 1.00 16.18 H new ATOM 0 HB2 ASP A 91 -26.264 3.084 0.043 1.00 15.69 H new ATOM 0 HB3 ASP A 91 -27.297 3.063 -1.373 1.00 15.69 H new ATOM 1322 N GLN A 92 -26.840 -0.401 0.268 1.00 15.16 N ATOM 1323 CA GLN A 92 -26.219 -1.594 -0.297 1.00 14.64 C ATOM 1324 C GLN A 92 -25.337 -1.236 -1.490 1.00 13.86 C ATOM 1325 O GLN A 92 -25.284 -1.971 -2.476 1.00 13.62 O ATOM 1326 CB GLN A 92 -27.291 -2.599 -0.723 1.00 15.19 C ATOM 1327 CG GLN A 92 -26.727 -3.945 -1.150 1.00 15.42 C ATOM 1328 CD GLN A 92 -26.677 -4.943 -0.010 1.00 15.63 C ATOM 1329 OE1 GLN A 92 -27.438 -5.909 0.019 1.00 16.02 O ATOM 1330 NE2 GLN A 92 -25.775 -4.713 0.938 1.00 15.49 N ATOM 0 H GLN A 92 -26.863 -0.379 1.288 1.00 15.16 H new ATOM 0 HA GLN A 92 -25.592 -2.046 0.472 1.00 14.64 H new ATOM 0 HB2 GLN A 92 -27.984 -2.751 0.104 1.00 15.19 H new ATOM 0 HB3 GLN A 92 -27.866 -2.177 -1.547 1.00 15.19 H new ATOM 0 HG2 GLN A 92 -27.337 -4.351 -1.957 1.00 15.42 H new ATOM 0 HG3 GLN A 92 -25.723 -3.804 -1.549 1.00 15.42 H new ATOM 0 HE21 GLN A 92 -25.164 -3.899 0.874 1.00 15.49 H new ATOM 0 HE22 GLN A 92 -25.694 -5.350 1.730 1.00 15.49 H new ATOM 1339 N LYS A 93 -24.645 -0.106 -1.392 1.00 13.53 N ATOM 1340 CA LYS A 93 -23.764 0.347 -2.462 1.00 12.85 C ATOM 1341 C LYS A 93 -22.319 -0.053 -2.182 1.00 12.01 C ATOM 1342 O LYS A 93 -21.917 -0.193 -1.027 1.00 11.94 O ATOM 1343 CB LYS A 93 -23.864 1.865 -2.628 1.00 13.03 C ATOM 1344 CG LYS A 93 -25.285 2.394 -2.534 1.00 13.64 C ATOM 1345 CD LYS A 93 -26.094 2.044 -3.773 1.00 14.01 C ATOM 1346 CE LYS A 93 -27.177 3.075 -4.042 1.00 14.63 C ATOM 1347 NZ LYS A 93 -28.014 2.709 -5.217 1.00 14.83 N ATOM 0 H LYS A 93 -24.677 0.513 -0.582 1.00 13.53 H new ATOM 0 HA LYS A 93 -24.082 -0.133 -3.388 1.00 12.85 H new ATOM 0 HB2 LYS A 93 -23.254 2.347 -1.864 1.00 13.03 H new ATOM 0 HB3 LYS A 93 -23.444 2.145 -3.594 1.00 13.03 H new ATOM 0 HG2 LYS A 93 -25.771 1.978 -1.651 1.00 13.64 H new ATOM 0 HG3 LYS A 93 -25.264 3.476 -2.406 1.00 13.64 H new ATOM 0 HD2 LYS A 93 -25.430 1.979 -4.635 1.00 14.01 H new ATOM 0 HD3 LYS A 93 -26.549 1.062 -3.646 1.00 14.01 H new ATOM 0 HE2 LYS A 93 -27.811 3.173 -3.161 1.00 14.63 H new ATOM 0 HE3 LYS A 93 -26.717 4.048 -4.213 1.00 14.63 H new ATOM 0 HZ1 LYS A 93 -28.740 3.438 -5.366 1.00 14.83 H new ATOM 0 HZ2 LYS A 93 -27.413 2.640 -6.063 1.00 14.83 H new ATOM 0 HZ3 LYS A 93 -28.474 1.792 -5.044 1.00 14.83 H new ATOM 1361 N TYR A 94 -21.542 -0.233 -3.245 1.00 11.44 N ATOM 1362 CA TYR A 94 -20.141 -0.616 -3.111 1.00 10.63 C ATOM 1363 C TYR A 94 -19.387 -0.403 -4.419 1.00 10.09 C ATOM 1364 O TYR A 94 -19.952 0.073 -5.403 1.00 10.42 O ATOM 1365 CB TYR A 94 -20.031 -2.081 -2.679 1.00 10.63 C ATOM 1366 CG TYR A 94 -20.607 -3.053 -3.683 1.00 10.86 C ATOM 1367 CD1 TYR A 94 -20.044 -3.195 -4.946 1.00 10.44 C ATOM 1368 CD2 TYR A 94 -21.715 -3.830 -3.370 1.00 11.57 C ATOM 1369 CE1 TYR A 94 -20.568 -4.082 -5.866 1.00 10.75 C ATOM 1370 CE2 TYR A 94 -22.246 -4.720 -4.285 1.00 11.84 C ATOM 1371 CZ TYR A 94 -21.668 -4.842 -5.531 1.00 11.44 C ATOM 1372 OH TYR A 94 -22.193 -5.727 -6.444 1.00 11.79 O ATOM 0 H TYR A 94 -21.858 -0.120 -4.208 1.00 11.44 H new ATOM 0 HA TYR A 94 -19.690 0.018 -2.348 1.00 10.63 H new ATOM 0 HB2 TYR A 94 -18.982 -2.324 -2.512 1.00 10.63 H new ATOM 0 HB3 TYR A 94 -20.544 -2.210 -1.726 1.00 10.63 H new ATOM 0 HD1 TYR A 94 -19.182 -2.601 -5.213 1.00 10.44 H new ATOM 0 HD2 TYR A 94 -22.170 -3.737 -2.395 1.00 11.57 H new ATOM 0 HE1 TYR A 94 -20.118 -4.180 -6.843 1.00 10.75 H new ATOM 0 HE2 TYR A 94 -23.108 -5.316 -4.025 1.00 11.84 H new ATOM 0 HH TYR A 94 -23.165 -5.609 -6.492 1.00 11.79 H new ATOM 1382 N SER A 95 -18.107 -0.760 -4.420 1.00 9.34 N ATOM 1383 CA SER A 95 -17.271 -0.612 -5.606 1.00 8.86 C ATOM 1384 C SER A 95 -15.984 -1.417 -5.466 1.00 8.13 C ATOM 1385 O SER A 95 -15.351 -1.416 -4.410 1.00 7.79 O ATOM 1386 CB SER A 95 -16.940 0.864 -5.841 1.00 8.84 C ATOM 1387 OG SER A 95 -18.055 1.558 -6.372 1.00 9.53 O ATOM 0 H SER A 95 -17.625 -1.154 -3.612 1.00 9.34 H new ATOM 0 HA SER A 95 -17.827 -0.994 -6.463 1.00 8.86 H new ATOM 0 HB2 SER A 95 -16.634 1.325 -4.902 1.00 8.84 H new ATOM 0 HB3 SER A 95 -16.096 0.946 -6.526 1.00 8.84 H new ATOM 0 HG SER A 95 -18.820 0.949 -6.435 1.00 9.53 H new ATOM 1393 N PHE A 96 -15.601 -2.107 -6.536 1.00 7.98 N ATOM 1394 CA PHE A 96 -14.389 -2.918 -6.529 1.00 7.39 C ATOM 1395 C PHE A 96 -13.145 -2.040 -6.611 1.00 6.79 C ATOM 1396 O PHE A 96 -13.155 -0.990 -7.253 1.00 6.97 O ATOM 1397 CB PHE A 96 -14.407 -3.908 -7.694 1.00 7.65 C ATOM 1398 CG PHE A 96 -15.785 -4.371 -8.068 1.00 8.38 C ATOM 1399 CD1 PHE A 96 -16.681 -4.779 -7.093 1.00 8.74 C ATOM 1400 CD2 PHE A 96 -16.185 -4.395 -9.394 1.00 8.81 C ATOM 1401 CE1 PHE A 96 -17.951 -5.203 -7.434 1.00 9.45 C ATOM 1402 CE2 PHE A 96 -17.453 -4.819 -9.741 1.00 9.49 C ATOM 1403 CZ PHE A 96 -18.338 -5.224 -8.761 1.00 9.78 C ATOM 0 H PHE A 96 -16.112 -2.121 -7.418 1.00 7.98 H new ATOM 0 HA PHE A 96 -14.358 -3.472 -5.591 1.00 7.39 H new ATOM 0 HB2 PHE A 96 -13.941 -3.443 -8.563 1.00 7.65 H new ATOM 0 HB3 PHE A 96 -13.800 -4.775 -7.433 1.00 7.65 H new ATOM 0 HD1 PHE A 96 -16.383 -4.765 -6.055 1.00 8.74 H new ATOM 0 HD2 PHE A 96 -15.498 -4.079 -10.165 1.00 8.81 H new ATOM 0 HE1 PHE A 96 -18.641 -5.518 -6.665 1.00 9.45 H new ATOM 0 HE2 PHE A 96 -17.752 -4.834 -10.779 1.00 9.49 H new ATOM 0 HZ PHE A 96 -19.330 -5.556 -9.031 1.00 9.78 H new ATOM 1413 N CYS A 97 -12.074 -2.478 -5.958 1.00 6.21 N ATOM 1414 CA CYS A 97 -10.821 -1.733 -5.956 1.00 5.65 C ATOM 1415 C CYS A 97 -9.671 -2.601 -6.459 1.00 5.36 C ATOM 1416 O CYS A 97 -9.855 -3.782 -6.751 1.00 5.68 O ATOM 1417 CB CYS A 97 -10.508 -1.220 -4.549 1.00 5.34 C ATOM 1418 SG CYS A 97 -11.947 -1.186 -3.431 1.00 6.04 S ATOM 0 H CYS A 97 -12.049 -3.346 -5.423 1.00 6.21 H new ATOM 0 HA CYS A 97 -10.934 -0.883 -6.628 1.00 5.65 H new ATOM 0 HB2 CYS A 97 -9.734 -1.849 -4.109 1.00 5.34 H new ATOM 0 HB3 CYS A 97 -10.096 -0.214 -4.624 1.00 5.34 H new ATOM 1423 N THR A 98 -8.486 -2.008 -6.555 1.00 4.93 N ATOM 1424 CA THR A 98 -7.308 -2.728 -7.020 1.00 4.90 C ATOM 1425 C THR A 98 -6.359 -3.031 -5.867 1.00 4.49 C ATOM 1426 O THR A 98 -5.892 -2.120 -5.181 1.00 4.07 O ATOM 1427 CB THR A 98 -6.549 -1.932 -8.096 1.00 5.07 C ATOM 1428 OG1 THR A 98 -5.441 -1.241 -7.505 1.00 4.92 O ATOM 1429 CG2 THR A 98 -7.470 -0.933 -8.780 1.00 5.49 C ATOM 0 H THR A 98 -8.317 -1.031 -6.317 1.00 4.93 H new ATOM 0 HA THR A 98 -7.662 -3.663 -7.453 1.00 4.90 H new ATOM 0 HB THR A 98 -6.181 -2.634 -8.844 1.00 5.07 H new ATOM 0 HG1 THR A 98 -4.642 -1.807 -7.548 1.00 4.92 H new ATOM 0 HG21 THR A 98 -6.911 -0.382 -9.537 1.00 5.49 H new ATOM 0 HG22 THR A 98 -8.296 -1.464 -9.254 1.00 5.49 H new ATOM 0 HG23 THR A 98 -7.864 -0.236 -8.040 1.00 5.49 H new ATOM 1437 N ASP A 99 -6.082 -4.314 -5.661 1.00 4.82 N ATOM 1438 CA ASP A 99 -5.192 -4.748 -4.589 1.00 4.78 C ATOM 1439 C ASP A 99 -5.304 -3.829 -3.381 1.00 4.23 C ATOM 1440 O ASP A 99 -4.308 -3.510 -2.732 1.00 4.56 O ATOM 1441 CB ASP A 99 -3.744 -4.794 -5.082 1.00 5.53 C ATOM 1442 CG ASP A 99 -3.329 -3.511 -5.774 1.00 6.17 C ATOM 1443 OD1 ASP A 99 -3.955 -3.156 -6.795 1.00 6.30 O ATOM 1444 OD2 ASP A 99 -2.375 -2.859 -5.296 1.00 6.81 O ATOM 0 H ASP A 99 -6.462 -5.075 -6.224 1.00 4.82 H new ATOM 0 HA ASP A 99 -5.494 -5.751 -4.286 1.00 4.78 H new ATOM 0 HB2 ASP A 99 -3.081 -4.979 -4.237 1.00 5.53 H new ATOM 0 HB3 ASP A 99 -3.624 -5.630 -5.770 1.00 5.53 H new ATOM 1449 N HIS A 100 -6.530 -3.410 -3.090 1.00 3.72 N ATOM 1450 CA HIS A 100 -6.796 -2.525 -1.961 1.00 3.57 C ATOM 1451 C HIS A 100 -5.638 -1.560 -1.736 1.00 2.88 C ATOM 1452 O HIS A 100 -5.221 -1.334 -0.600 1.00 3.11 O ATOM 1453 CB HIS A 100 -7.050 -3.343 -0.693 1.00 4.38 C ATOM 1454 CG HIS A 100 -5.880 -4.177 -0.275 1.00 4.89 C ATOM 1455 ND1 HIS A 100 -5.287 -5.236 -0.876 1.00 5.81 N flip ATOM 1456 CD2 HIS A 100 -5.180 -3.961 0.893 1.00 5.06 C flip ATOM 1457 CE1 HIS A 100 -4.250 -5.635 -0.068 1.00 6.42 C flip ATOM 1458 NE2 HIS A 100 -4.206 -4.850 0.992 1.00 6.04 N flip ATOM 0 H HIS A 100 -7.360 -3.670 -3.623 1.00 3.72 H new ATOM 0 HA HIS A 100 -7.687 -1.942 -2.193 1.00 3.57 H new ATOM 0 HB2 HIS A 100 -7.312 -2.666 0.120 1.00 4.38 H new ATOM 0 HB3 HIS A 100 -7.910 -3.993 -0.856 1.00 4.38 H new ATOM 0 HD2 HIS A 100 -5.394 -3.186 1.615 1.00 5.06 H new ATOM 0 HE1 HIS A 100 -3.579 -6.458 -0.268 1.00 6.42 H new ATOM 0 HE2 HIS A 100 -3.535 -4.917 1.757 1.00 6.04 H new ATOM 1467 N THR A 101 -5.133 -0.995 -2.829 1.00 2.59 N ATOM 1468 CA THR A 101 -4.024 -0.046 -2.774 1.00 2.36 C ATOM 1469 C THR A 101 -3.117 -0.308 -1.575 1.00 1.70 C ATOM 1470 O THR A 101 -2.768 0.612 -0.837 1.00 2.14 O ATOM 1471 CB THR A 101 -4.537 1.403 -2.712 1.00 3.29 C ATOM 1472 OG1 THR A 101 -3.497 2.310 -3.098 1.00 3.87 O ATOM 1473 CG2 THR A 101 -5.025 1.747 -1.313 1.00 3.53 C ATOM 0 H THR A 101 -5.477 -1.180 -3.771 1.00 2.59 H new ATOM 0 HA THR A 101 -3.446 -0.186 -3.688 1.00 2.36 H new ATOM 0 HB THR A 101 -5.374 1.497 -3.404 1.00 3.29 H new ATOM 0 HG1 THR A 101 -2.715 2.174 -2.524 1.00 3.87 H new ATOM 0 HG21 THR A 101 -5.383 2.777 -1.295 1.00 3.53 H new ATOM 0 HG22 THR A 101 -5.838 1.076 -1.036 1.00 3.53 H new ATOM 0 HG23 THR A 101 -4.205 1.636 -0.604 1.00 3.53 H new ATOM 1481 N VAL A 102 -2.741 -1.568 -1.390 1.00 1.41 N ATOM 1482 CA VAL A 102 -1.877 -1.952 -0.280 1.00 1.32 C ATOM 1483 C VAL A 102 -0.795 -0.905 -0.032 1.00 1.10 C ATOM 1484 O VAL A 102 -0.346 -0.230 -0.958 1.00 1.34 O ATOM 1485 CB VAL A 102 -1.204 -3.314 -0.538 1.00 2.12 C ATOM 1486 CG1 VAL A 102 -0.612 -3.869 0.748 1.00 2.83 C ATOM 1487 CG2 VAL A 102 -2.198 -4.295 -1.144 1.00 2.83 C ATOM 0 H VAL A 102 -3.021 -2.341 -1.994 1.00 1.41 H new ATOM 0 HA VAL A 102 -2.514 -2.028 0.602 1.00 1.32 H new ATOM 0 HB VAL A 102 -0.392 -3.169 -1.251 1.00 2.12 H new ATOM 0 HG11 VAL A 102 -0.141 -4.831 0.546 1.00 2.83 H new ATOM 0 HG12 VAL A 102 0.133 -3.174 1.135 1.00 2.83 H new ATOM 0 HG13 VAL A 102 -1.403 -4.000 1.486 1.00 2.83 H new ATOM 0 HG21 VAL A 102 -1.705 -5.251 -1.319 1.00 2.83 H new ATOM 0 HG22 VAL A 102 -3.033 -4.438 -0.458 1.00 2.83 H new ATOM 0 HG23 VAL A 102 -2.569 -3.900 -2.090 1.00 2.83 H new ATOM 1497 N LEU A 103 -0.382 -0.777 1.225 1.00 0.92 N ATOM 1498 CA LEU A 103 0.649 0.187 1.598 1.00 0.78 C ATOM 1499 C LEU A 103 1.411 -0.284 2.833 1.00 0.61 C ATOM 1500 O LEU A 103 0.874 -0.287 3.940 1.00 0.63 O ATOM 1501 CB LEU A 103 0.026 1.558 1.864 1.00 0.93 C ATOM 1502 CG LEU A 103 -1.190 1.914 1.007 1.00 1.28 C ATOM 1503 CD1 LEU A 103 -2.459 1.333 1.613 1.00 1.53 C ATOM 1504 CD2 LEU A 103 -1.311 3.423 0.855 1.00 2.00 C ATOM 0 H LEU A 103 -0.745 -1.328 2.003 1.00 0.92 H new ATOM 0 HA LEU A 103 1.350 0.270 0.767 1.00 0.78 H new ATOM 0 HB2 LEU A 103 -0.266 1.606 2.913 1.00 0.93 H new ATOM 0 HB3 LEU A 103 0.791 2.320 1.711 1.00 0.93 H new ATOM 0 HG LEU A 103 -1.053 1.479 0.017 1.00 1.28 H new ATOM 0 HD11 LEU A 103 -3.314 1.597 0.990 1.00 1.53 H new ATOM 0 HD12 LEU A 103 -2.372 0.248 1.669 1.00 1.53 H new ATOM 0 HD13 LEU A 103 -2.602 1.738 2.615 1.00 1.53 H new ATOM 0 HD21 LEU A 103 -2.181 3.658 0.242 1.00 2.00 H new ATOM 0 HD22 LEU A 103 -1.425 3.880 1.838 1.00 2.00 H new ATOM 0 HD23 LEU A 103 -0.413 3.814 0.375 1.00 2.00 H new ATOM 1516 N VAL A 104 2.664 -0.680 2.635 1.00 0.56 N ATOM 1517 CA VAL A 104 3.497 -1.150 3.733 1.00 0.50 C ATOM 1518 C VAL A 104 4.475 -0.066 4.175 1.00 0.50 C ATOM 1519 O VAL A 104 5.137 0.558 3.349 1.00 0.53 O ATOM 1520 CB VAL A 104 4.283 -2.418 3.333 1.00 0.60 C ATOM 1521 CG1 VAL A 104 5.463 -2.653 4.267 1.00 0.68 C ATOM 1522 CG2 VAL A 104 3.362 -3.628 3.317 1.00 0.42 C ATOM 0 H VAL A 104 3.124 -0.684 1.724 1.00 0.56 H new ATOM 0 HA VAL A 104 2.834 -1.394 4.563 1.00 0.50 H new ATOM 0 HB VAL A 104 4.679 -2.268 2.329 1.00 0.60 H new ATOM 0 HG11 VAL A 104 5.997 -3.552 3.960 1.00 0.68 H new ATOM 0 HG12 VAL A 104 6.138 -1.798 4.223 1.00 0.68 H new ATOM 0 HG13 VAL A 104 5.100 -2.777 5.287 1.00 0.68 H new ATOM 0 HG21 VAL A 104 3.930 -4.514 3.033 1.00 0.42 H new ATOM 0 HG22 VAL A 104 2.935 -3.773 4.309 1.00 0.42 H new ATOM 0 HG23 VAL A 104 2.560 -3.465 2.597 1.00 0.42 H new ATOM 1532 N GLN A 105 4.560 0.149 5.485 1.00 0.53 N ATOM 1533 CA GLN A 105 5.460 1.155 6.037 1.00 0.55 C ATOM 1534 C GLN A 105 6.719 0.504 6.598 1.00 0.50 C ATOM 1535 O GLN A 105 6.828 0.273 7.802 1.00 0.62 O ATOM 1536 CB GLN A 105 4.753 1.956 7.133 1.00 0.65 C ATOM 1537 CG GLN A 105 4.280 3.326 6.676 1.00 0.87 C ATOM 1538 CD GLN A 105 4.624 4.421 7.667 1.00 1.87 C ATOM 1539 OE1 GLN A 105 3.634 5.234 8.018 1.00 2.47 O flip ATOM 1540 NE2 GLN A 105 5.766 4.536 8.112 1.00 2.66 N flip ATOM 0 H GLN A 105 4.017 -0.360 6.183 1.00 0.53 H new ATOM 0 HA GLN A 105 5.749 1.832 5.233 1.00 0.55 H new ATOM 0 HB2 GLN A 105 3.896 1.386 7.492 1.00 0.65 H new ATOM 0 HB3 GLN A 105 5.431 2.078 7.977 1.00 0.65 H new ATOM 0 HG2 GLN A 105 4.731 3.559 5.711 1.00 0.87 H new ATOM 0 HG3 GLN A 105 3.201 3.302 6.526 1.00 0.87 H new ATOM 0 HE21 GLN A 105 6.497 3.889 7.815 1.00 2.66 H new ATOM 0 HE22 GLN A 105 5.982 5.278 8.778 1.00 2.66 H new ATOM 1549 N THR A 106 7.667 0.204 5.715 1.00 0.44 N ATOM 1550 CA THR A 106 8.917 -0.427 6.122 1.00 0.42 C ATOM 1551 C THR A 106 9.935 0.608 6.587 1.00 0.44 C ATOM 1552 O THR A 106 9.737 1.810 6.415 1.00 0.50 O ATOM 1553 CB THR A 106 9.532 -1.248 4.975 1.00 0.47 C ATOM 1554 OG1 THR A 106 9.358 -0.561 3.730 1.00 0.82 O ATOM 1555 CG2 THR A 106 8.891 -2.624 4.892 1.00 0.59 C ATOM 0 H THR A 106 7.593 0.388 4.714 1.00 0.44 H new ATOM 0 HA THR A 106 8.675 -1.093 6.950 1.00 0.42 H new ATOM 0 HB THR A 106 10.596 -1.370 5.176 1.00 0.47 H new ATOM 0 HG1 THR A 106 9.441 0.405 3.875 1.00 0.82 H new ATOM 0 HG21 THR A 106 9.341 -3.186 4.074 1.00 0.59 H new ATOM 0 HG22 THR A 106 9.050 -3.157 5.830 1.00 0.59 H new ATOM 0 HG23 THR A 106 7.821 -2.517 4.713 1.00 0.59 H new ATOM 1563 N ARG A 107 11.027 0.128 7.173 1.00 0.46 N ATOM 1564 CA ARG A 107 12.082 1.007 7.662 1.00 0.50 C ATOM 1565 C ARG A 107 13.357 0.221 7.947 1.00 0.52 C ATOM 1566 O ARG A 107 13.329 -0.797 8.641 1.00 0.59 O ATOM 1567 CB ARG A 107 11.623 1.735 8.928 1.00 0.60 C ATOM 1568 CG ARG A 107 11.457 0.820 10.130 1.00 1.28 C ATOM 1569 CD ARG A 107 11.078 1.602 11.377 1.00 1.71 C ATOM 1570 NE ARG A 107 10.159 0.856 12.231 1.00 2.33 N ATOM 1571 CZ ARG A 107 9.491 1.399 13.245 1.00 2.98 C ATOM 1572 NH1 ARG A 107 9.643 2.685 13.528 1.00 3.26 N ATOM 1573 NH2 ARG A 107 8.672 0.655 13.977 1.00 3.87 N ATOM 0 H ARG A 107 11.204 -0.866 7.321 1.00 0.46 H new ATOM 0 HA ARG A 107 12.296 1.742 6.886 1.00 0.50 H new ATOM 0 HB2 ARG A 107 12.346 2.513 9.172 1.00 0.60 H new ATOM 0 HB3 ARG A 107 10.674 2.233 8.727 1.00 0.60 H new ATOM 0 HG2 ARG A 107 10.689 0.076 9.919 1.00 1.28 H new ATOM 0 HG3 ARG A 107 12.386 0.278 10.307 1.00 1.28 H new ATOM 0 HD2 ARG A 107 11.979 1.846 11.940 1.00 1.71 H new ATOM 0 HD3 ARG A 107 10.618 2.547 11.087 1.00 1.71 H new ATOM 0 HE ARG A 107 10.021 -0.136 12.040 1.00 2.33 H new ATOM 0 HH11 ARG A 107 10.273 3.259 12.968 1.00 3.26 H new ATOM 0 HH12 ARG A 107 9.130 3.100 14.306 1.00 3.26 H new ATOM 0 HH21 ARG A 107 8.554 -0.335 13.763 1.00 3.87 H new ATOM 0 HH22 ARG A 107 8.161 1.073 14.754 1.00 3.87 H new ATOM 1587 N GLY A 108 14.473 0.698 7.408 1.00 0.62 N ATOM 1588 CA GLY A 108 15.743 0.027 7.616 1.00 0.70 C ATOM 1589 C GLY A 108 16.321 -0.533 6.330 1.00 1.14 C ATOM 1590 O GLY A 108 15.671 -0.504 5.285 1.00 2.00 O ATOM 0 H GLY A 108 14.521 1.537 6.831 1.00 0.62 H new ATOM 0 HA2 GLY A 108 16.453 0.728 8.055 1.00 0.70 H new ATOM 0 HA3 GLY A 108 15.609 -0.783 8.333 1.00 0.70 H new ATOM 1594 N GLY A 109 17.547 -1.042 6.407 1.00 1.03 N ATOM 1595 CA GLY A 109 18.192 -1.604 5.235 1.00 1.58 C ATOM 1596 C GLY A 109 18.838 -0.544 4.364 1.00 1.11 C ATOM 1597 O GLY A 109 19.974 -0.137 4.610 1.00 1.34 O ATOM 0 H GLY A 109 18.105 -1.075 7.260 1.00 1.03 H new ATOM 0 HA2 GLY A 109 18.949 -2.322 5.550 1.00 1.58 H new ATOM 0 HA3 GLY A 109 17.456 -2.154 4.648 1.00 1.58 H new ATOM 1601 N ASN A 110 18.113 -0.096 3.345 1.00 0.73 N ATOM 1602 CA ASN A 110 18.622 0.923 2.434 1.00 0.70 C ATOM 1603 C ASN A 110 17.489 1.798 1.908 1.00 0.75 C ATOM 1604 O ASN A 110 17.649 2.509 0.916 1.00 1.13 O ATOM 1605 CB ASN A 110 19.361 0.269 1.265 1.00 1.04 C ATOM 1606 CG ASN A 110 20.658 -0.386 1.695 1.00 1.05 C ATOM 1607 OD1 ASN A 110 20.758 -1.694 1.488 1.00 1.79 O flip ATOM 1608 ND2 ASN A 110 21.562 0.275 2.207 1.00 1.29 N flip ATOM 0 H ASN A 110 17.171 -0.422 3.129 1.00 0.73 H new ATOM 0 HA ASN A 110 19.317 1.554 2.987 1.00 0.70 H new ATOM 0 HB2 ASN A 110 18.716 -0.478 0.803 1.00 1.04 H new ATOM 0 HB3 ASN A 110 19.572 1.022 0.505 1.00 1.04 H new ATOM 0 HD21 ASN A 110 21.443 1.278 2.348 1.00 1.29 H new ATOM 0 HD22 ASN A 110 22.429 -0.181 2.490 1.00 1.29 H new ATOM 1615 N SER A 111 16.344 1.742 2.581 1.00 0.57 N ATOM 1616 CA SER A 111 15.184 2.529 2.182 1.00 0.65 C ATOM 1617 C SER A 111 14.854 3.582 3.235 1.00 0.68 C ATOM 1618 O SER A 111 14.076 4.503 2.984 1.00 1.11 O ATOM 1619 CB SER A 111 13.975 1.617 1.961 1.00 0.78 C ATOM 1620 OG SER A 111 13.263 1.411 3.168 1.00 1.59 O ATOM 0 H SER A 111 16.195 1.160 3.405 1.00 0.57 H new ATOM 0 HA SER A 111 15.424 3.037 1.248 1.00 0.65 H new ATOM 0 HB2 SER A 111 13.313 2.059 1.216 1.00 0.78 H new ATOM 0 HB3 SER A 111 14.307 0.658 1.563 1.00 0.78 H new ATOM 0 HG SER A 111 13.510 0.543 3.550 1.00 1.59 H new ATOM 1626 N ASN A 112 15.450 3.440 4.414 1.00 0.63 N ATOM 1627 CA ASN A 112 15.218 4.379 5.506 1.00 0.64 C ATOM 1628 C ASN A 112 13.733 4.701 5.635 1.00 0.60 C ATOM 1629 O ASN A 112 13.238 5.650 5.027 1.00 0.64 O ATOM 1630 CB ASN A 112 16.013 5.665 5.277 1.00 0.73 C ATOM 1631 CG ASN A 112 17.489 5.401 5.055 1.00 0.99 C ATOM 1632 OD1 ASN A 112 18.021 4.379 5.488 1.00 1.66 O ATOM 1633 ND2 ASN A 112 18.159 6.325 4.375 1.00 1.10 N ATOM 0 H ASN A 112 16.097 2.684 4.638 1.00 0.63 H new ATOM 0 HA ASN A 112 15.554 3.914 6.433 1.00 0.64 H new ATOM 0 HB2 ASN A 112 15.607 6.191 4.413 1.00 0.73 H new ATOM 0 HB3 ASN A 112 15.890 6.323 6.137 1.00 0.73 H new ATOM 0 HD21 ASN A 112 19.155 6.202 4.193 1.00 1.10 H new ATOM 0 HD22 ASN A 112 17.677 7.157 4.035 1.00 1.10 H new ATOM 1640 N GLY A 113 13.027 3.904 6.430 1.00 0.58 N ATOM 1641 CA GLY A 113 11.605 4.119 6.621 1.00 0.57 C ATOM 1642 C GLY A 113 10.896 4.462 5.326 1.00 0.52 C ATOM 1643 O GLY A 113 10.510 5.611 5.107 1.00 0.63 O ATOM 0 H GLY A 113 13.414 3.113 6.945 1.00 0.58 H new ATOM 0 HA2 GLY A 113 11.159 3.222 7.050 1.00 0.57 H new ATOM 0 HA3 GLY A 113 11.455 4.925 7.339 1.00 0.57 H new ATOM 1647 N ALA A 114 10.727 3.466 4.462 1.00 0.40 N ATOM 1648 CA ALA A 114 10.064 3.674 3.181 1.00 0.39 C ATOM 1649 C ALA A 114 8.800 2.831 3.069 1.00 0.39 C ATOM 1650 O ALA A 114 8.761 1.688 3.522 1.00 0.43 O ATOM 1651 CB ALA A 114 11.015 3.352 2.039 1.00 0.42 C ATOM 0 H ALA A 114 11.040 2.509 4.626 1.00 0.40 H new ATOM 0 HA ALA A 114 9.774 4.723 3.118 1.00 0.39 H new ATOM 0 HB1 ALA A 114 10.508 3.511 1.087 1.00 0.42 H new ATOM 0 HB2 ALA A 114 11.888 4.002 2.098 1.00 0.42 H new ATOM 0 HB3 ALA A 114 11.332 2.312 2.112 1.00 0.42 H new ATOM 1657 N LEU A 115 7.768 3.403 2.459 1.00 0.41 N ATOM 1658 CA LEU A 115 6.502 2.703 2.285 1.00 0.44 C ATOM 1659 C LEU A 115 6.679 1.496 1.369 1.00 0.42 C ATOM 1660 O LEU A 115 6.436 1.577 0.165 1.00 0.48 O ATOM 1661 CB LEU A 115 5.446 3.647 1.707 1.00 0.53 C ATOM 1662 CG LEU A 115 4.174 2.964 1.202 1.00 0.72 C ATOM 1663 CD1 LEU A 115 3.367 2.411 2.368 1.00 1.47 C ATOM 1664 CD2 LEU A 115 3.337 3.934 0.384 1.00 1.43 C ATOM 0 H LEU A 115 7.784 4.349 2.077 1.00 0.41 H new ATOM 0 HA LEU A 115 6.167 2.355 3.262 1.00 0.44 H new ATOM 0 HB2 LEU A 115 5.171 4.372 2.473 1.00 0.53 H new ATOM 0 HB3 LEU A 115 5.892 4.206 0.884 1.00 0.53 H new ATOM 0 HG LEU A 115 4.461 2.132 0.559 1.00 0.72 H new ATOM 0 HD11 LEU A 115 2.466 1.929 1.990 1.00 1.47 H new ATOM 0 HD12 LEU A 115 3.967 1.682 2.913 1.00 1.47 H new ATOM 0 HD13 LEU A 115 3.089 3.225 3.037 1.00 1.47 H new ATOM 0 HD21 LEU A 115 2.436 3.431 0.033 1.00 1.43 H new ATOM 0 HD22 LEU A 115 3.058 4.786 1.004 1.00 1.43 H new ATOM 0 HD23 LEU A 115 3.915 4.281 -0.472 1.00 1.43 H new ATOM 1676 N CYS A 116 7.108 0.378 1.947 1.00 0.38 N ATOM 1677 CA CYS A 116 7.321 -0.843 1.179 1.00 0.40 C ATOM 1678 C CYS A 116 6.188 -1.063 0.184 1.00 0.47 C ATOM 1679 O CYS A 116 5.010 -0.973 0.535 1.00 0.56 O ATOM 1680 CB CYS A 116 7.440 -2.047 2.115 1.00 0.42 C ATOM 1681 SG CYS A 116 8.696 -3.264 1.606 1.00 0.58 S ATOM 0 H CYS A 116 7.314 0.293 2.942 1.00 0.38 H new ATOM 0 HA CYS A 116 8.252 -0.735 0.622 1.00 0.40 H new ATOM 0 HB2 CYS A 116 7.679 -1.692 3.117 1.00 0.42 H new ATOM 0 HB3 CYS A 116 6.472 -2.544 2.175 1.00 0.42 H new ATOM 1686 N HIS A 117 6.555 -1.353 -1.060 1.00 0.52 N ATOM 1687 CA HIS A 117 5.576 -1.588 -2.113 1.00 0.61 C ATOM 1688 C HIS A 117 5.351 -3.081 -2.320 1.00 0.62 C ATOM 1689 O HIS A 117 6.301 -3.862 -2.372 1.00 0.87 O ATOM 1690 CB HIS A 117 6.038 -0.940 -3.420 1.00 0.79 C ATOM 1691 CG HIS A 117 5.373 -1.503 -4.639 1.00 0.72 C ATOM 1692 ND1 HIS A 117 5.766 -2.476 -5.494 1.00 1.03 N flip ATOM 1693 CD2 HIS A 117 4.150 -1.061 -5.101 1.00 0.96 C flip ATOM 1694 CE1 HIS A 117 4.785 -2.603 -6.446 1.00 0.94 C flip ATOM 1695 NE2 HIS A 117 3.821 -1.739 -6.187 1.00 0.83 N flip ATOM 0 H HIS A 117 7.526 -1.431 -1.363 1.00 0.52 H new ATOM 0 HA HIS A 117 4.632 -1.137 -1.808 1.00 0.61 H new ATOM 0 HB2 HIS A 117 5.843 0.131 -3.373 1.00 0.79 H new ATOM 0 HB3 HIS A 117 7.117 -1.064 -3.515 1.00 0.79 H new ATOM 0 HD2 HIS A 117 3.555 -0.283 -4.646 1.00 0.96 H new ATOM 0 HE1 HIS A 117 4.800 -3.297 -7.273 1.00 0.94 H new ATOM 0 HE2 HIS A 117 2.968 -1.616 -6.732 1.00 0.83 H new ATOM 1704 N PHE A 118 4.087 -3.472 -2.439 1.00 0.54 N ATOM 1705 CA PHE A 118 3.736 -4.872 -2.640 1.00 0.58 C ATOM 1706 C PHE A 118 2.790 -5.030 -3.827 1.00 0.59 C ATOM 1707 O PHE A 118 1.834 -4.269 -3.976 1.00 0.68 O ATOM 1708 CB PHE A 118 3.085 -5.442 -1.379 1.00 0.78 C ATOM 1709 CG PHE A 118 4.066 -5.827 -0.309 1.00 0.53 C ATOM 1710 CD1 PHE A 118 4.688 -7.065 -0.335 1.00 0.56 C ATOM 1711 CD2 PHE A 118 4.360 -4.954 0.727 1.00 0.73 C ATOM 1712 CE1 PHE A 118 5.586 -7.425 0.652 1.00 0.53 C ATOM 1713 CE2 PHE A 118 5.256 -5.310 1.717 1.00 0.79 C ATOM 1714 CZ PHE A 118 5.869 -6.547 1.678 1.00 0.59 C ATOM 0 H PHE A 118 3.289 -2.839 -2.400 1.00 0.54 H new ATOM 0 HA PHE A 118 4.652 -5.424 -2.850 1.00 0.58 H new ATOM 0 HB2 PHE A 118 2.392 -4.704 -0.974 1.00 0.78 H new ATOM 0 HB3 PHE A 118 2.496 -6.318 -1.650 1.00 0.78 H new ATOM 0 HD1 PHE A 118 4.469 -7.756 -1.135 1.00 0.56 H new ATOM 0 HD2 PHE A 118 3.884 -3.985 0.761 1.00 0.73 H new ATOM 0 HE1 PHE A 118 6.066 -8.392 0.620 1.00 0.53 H new ATOM 0 HE2 PHE A 118 5.477 -4.622 2.520 1.00 0.79 H new ATOM 0 HZ PHE A 118 6.570 -6.827 2.451 1.00 0.59 H new ATOM 1724 N PRO A 119 3.047 -6.025 -4.689 1.00 0.60 N ATOM 1725 CA PRO A 119 4.175 -6.945 -4.540 1.00 0.53 C ATOM 1726 C PRO A 119 5.505 -6.284 -4.888 1.00 0.51 C ATOM 1727 O PRO A 119 5.547 -5.120 -5.287 1.00 0.71 O ATOM 1728 CB PRO A 119 3.873 -8.080 -5.539 1.00 0.60 C ATOM 1729 CG PRO A 119 2.477 -7.814 -6.013 1.00 0.71 C ATOM 1730 CD PRO A 119 2.261 -6.337 -5.878 1.00 0.75 C ATOM 0 HA PRO A 119 4.275 -7.288 -3.510 1.00 0.53 H new ATOM 0 HB2 PRO A 119 4.580 -8.075 -6.369 1.00 0.60 H new ATOM 0 HB3 PRO A 119 3.949 -9.057 -5.062 1.00 0.60 H new ATOM 0 HG2 PRO A 119 2.350 -8.132 -7.048 1.00 0.71 H new ATOM 0 HG3 PRO A 119 1.752 -8.369 -5.418 1.00 0.71 H new ATOM 0 HD2 PRO A 119 2.612 -5.791 -6.754 1.00 0.75 H new ATOM 0 HD3 PRO A 119 1.208 -6.089 -5.748 1.00 0.75 H new ATOM 1738 N PHE A 120 6.590 -7.038 -4.742 1.00 0.42 N ATOM 1739 CA PHE A 120 7.923 -6.532 -5.048 1.00 0.43 C ATOM 1740 C PHE A 120 8.795 -7.638 -5.634 1.00 0.44 C ATOM 1741 O PHE A 120 8.939 -8.707 -5.041 1.00 0.71 O ATOM 1742 CB PHE A 120 8.579 -5.953 -3.792 1.00 0.45 C ATOM 1743 CG PHE A 120 8.990 -6.993 -2.790 1.00 0.40 C ATOM 1744 CD1 PHE A 120 8.061 -7.537 -1.917 1.00 0.38 C ATOM 1745 CD2 PHE A 120 10.305 -7.423 -2.717 1.00 0.48 C ATOM 1746 CE1 PHE A 120 8.436 -8.491 -0.991 1.00 0.41 C ATOM 1747 CE2 PHE A 120 10.687 -8.378 -1.793 1.00 0.52 C ATOM 1748 CZ PHE A 120 9.751 -8.912 -0.929 1.00 0.47 C ATOM 0 H PHE A 120 6.572 -8.003 -4.413 1.00 0.42 H new ATOM 0 HA PHE A 120 7.824 -5.738 -5.788 1.00 0.43 H new ATOM 0 HB2 PHE A 120 9.457 -5.376 -4.084 1.00 0.45 H new ATOM 0 HB3 PHE A 120 7.885 -5.259 -3.318 1.00 0.45 H new ATOM 0 HD1 PHE A 120 7.032 -7.211 -1.961 1.00 0.38 H new ATOM 0 HD2 PHE A 120 11.040 -7.007 -3.390 1.00 0.48 H new ATOM 0 HE1 PHE A 120 7.703 -8.907 -0.316 1.00 0.41 H new ATOM 0 HE2 PHE A 120 11.715 -8.706 -1.747 1.00 0.52 H new ATOM 0 HZ PHE A 120 10.046 -9.658 -0.206 1.00 0.47 H new ATOM 1758 N LEU A 121 9.365 -7.379 -6.805 1.00 0.35 N ATOM 1759 CA LEU A 121 10.213 -8.359 -7.474 1.00 0.39 C ATOM 1760 C LEU A 121 11.585 -8.448 -6.816 1.00 0.42 C ATOM 1761 O LEU A 121 12.233 -7.434 -6.559 1.00 0.64 O ATOM 1762 CB LEU A 121 10.362 -8.010 -8.960 1.00 0.50 C ATOM 1763 CG LEU A 121 11.281 -8.940 -9.762 1.00 0.59 C ATOM 1764 CD1 LEU A 121 12.731 -8.771 -9.333 1.00 1.52 C ATOM 1765 CD2 LEU A 121 10.833 -10.378 -9.596 1.00 1.35 C ATOM 0 H LEU A 121 9.256 -6.500 -7.311 1.00 0.35 H new ATOM 0 HA LEU A 121 9.732 -9.333 -7.383 1.00 0.39 H new ATOM 0 HB2 LEU A 121 9.374 -8.018 -9.419 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.742 -6.992 -9.041 1.00 0.50 H new ATOM 0 HG LEU A 121 11.214 -8.673 -10.817 1.00 0.59 H new ATOM 0 HD11 LEU A 121 13.363 -9.441 -9.916 1.00 1.52 H new ATOM 0 HD12 LEU A 121 13.042 -7.740 -9.501 1.00 1.52 H new ATOM 0 HD13 LEU A 121 12.827 -9.011 -8.274 1.00 1.52 H new ATOM 0 HD21 LEU A 121 11.490 -11.032 -10.168 1.00 1.35 H new ATOM 0 HD22 LEU A 121 10.875 -10.653 -8.542 1.00 1.35 H new ATOM 0 HD23 LEU A 121 9.810 -10.485 -9.958 1.00 1.35 H new ATOM 1777 N TYR A 122 12.022 -9.676 -6.567 1.00 0.44 N ATOM 1778 CA TYR A 122 13.324 -9.927 -5.960 1.00 0.51 C ATOM 1779 C TYR A 122 14.100 -10.934 -6.799 1.00 0.60 C ATOM 1780 O TYR A 122 13.688 -12.086 -6.936 1.00 0.66 O ATOM 1781 CB TYR A 122 13.162 -10.451 -4.531 1.00 0.53 C ATOM 1782 CG TYR A 122 14.467 -10.859 -3.885 1.00 0.62 C ATOM 1783 CD1 TYR A 122 15.197 -11.938 -4.367 1.00 1.31 C ATOM 1784 CD2 TYR A 122 14.972 -10.161 -2.794 1.00 0.85 C ATOM 1785 CE1 TYR A 122 16.391 -12.312 -3.778 1.00 1.40 C ATOM 1786 CE2 TYR A 122 16.165 -10.528 -2.202 1.00 0.91 C ATOM 1787 CZ TYR A 122 16.870 -11.605 -2.697 1.00 0.84 C ATOM 1788 OH TYR A 122 18.058 -11.973 -2.110 1.00 0.97 O ATOM 0 H TYR A 122 11.489 -10.520 -6.778 1.00 0.44 H new ATOM 0 HA TYR A 122 13.876 -8.988 -5.922 1.00 0.51 H new ATOM 0 HB2 TYR A 122 12.690 -9.680 -3.922 1.00 0.53 H new ATOM 0 HB3 TYR A 122 12.488 -11.307 -4.541 1.00 0.53 H new ATOM 0 HD1 TYR A 122 14.826 -12.494 -5.215 1.00 1.31 H new ATOM 0 HD2 TYR A 122 14.422 -9.318 -2.403 1.00 0.85 H new ATOM 0 HE1 TYR A 122 16.946 -13.155 -4.164 1.00 1.40 H new ATOM 0 HE2 TYR A 122 16.544 -9.974 -1.356 1.00 0.91 H new ATOM 0 HH TYR A 122 17.962 -12.860 -1.705 1.00 0.97 H new ATOM 1798 N ASN A 123 15.212 -10.494 -7.375 1.00 0.69 N ATOM 1799 CA ASN A 123 16.018 -11.368 -8.215 1.00 0.80 C ATOM 1800 C ASN A 123 15.149 -11.981 -9.306 1.00 0.79 C ATOM 1801 O ASN A 123 15.054 -13.202 -9.429 1.00 1.12 O ATOM 1802 CB ASN A 123 16.663 -12.472 -7.374 1.00 0.89 C ATOM 1803 CG ASN A 123 18.145 -12.622 -7.655 1.00 1.43 C ATOM 1804 OD1 ASN A 123 18.591 -12.483 -8.794 1.00 2.06 O ATOM 1805 ND2 ASN A 123 18.920 -12.907 -6.614 1.00 1.93 N ATOM 0 H ASN A 123 15.573 -9.545 -7.277 1.00 0.69 H new ATOM 0 HA ASN A 123 16.810 -10.778 -8.677 1.00 0.80 H new ATOM 0 HB2 ASN A 123 16.517 -12.251 -6.317 1.00 0.89 H new ATOM 0 HB3 ASN A 123 16.160 -13.418 -7.575 1.00 0.89 H new ATOM 0 HD21 ASN A 123 19.926 -13.019 -6.742 1.00 1.93 H new ATOM 0 HD22 ASN A 123 18.509 -13.014 -5.686 1.00 1.93 H new ATOM 1812 N ASN A 124 14.502 -11.117 -10.084 1.00 0.71 N ATOM 1813 CA ASN A 124 13.619 -11.556 -11.159 1.00 0.74 C ATOM 1814 C ASN A 124 12.654 -12.625 -10.659 1.00 0.72 C ATOM 1815 O ASN A 124 12.142 -13.432 -11.435 1.00 0.85 O ATOM 1816 CB ASN A 124 14.430 -12.082 -12.346 1.00 0.87 C ATOM 1817 CG ASN A 124 15.311 -13.258 -11.976 1.00 1.54 C ATOM 1818 OD1 ASN A 124 16.582 -12.983 -11.703 1.00 2.28 O flip ATOM 1819 ND2 ASN A 124 14.856 -14.402 -11.936 1.00 2.15 N flip ATOM 0 H ASN A 124 14.574 -10.104 -9.988 1.00 0.71 H new ATOM 0 HA ASN A 124 13.039 -10.696 -11.494 1.00 0.74 H new ATOM 0 HB2 ASN A 124 13.749 -12.380 -13.143 1.00 0.87 H new ATOM 0 HB3 ASN A 124 15.051 -11.278 -12.742 1.00 0.87 H new ATOM 0 HD21 ASN A 124 13.873 -14.568 -12.153 1.00 2.15 H new ATOM 0 HD22 ASN A 124 15.462 -15.183 -11.686 1.00 2.15 H new ATOM 1826 N HIS A 125 12.400 -12.607 -9.355 1.00 0.67 N ATOM 1827 CA HIS A 125 11.483 -13.553 -8.732 1.00 0.71 C ATOM 1828 C HIS A 125 10.396 -12.800 -7.969 1.00 0.61 C ATOM 1829 O HIS A 125 10.512 -12.573 -6.766 1.00 0.62 O ATOM 1830 CB HIS A 125 12.239 -14.485 -7.784 1.00 0.82 C ATOM 1831 CG HIS A 125 11.543 -15.790 -7.546 1.00 1.02 C ATOM 1832 ND1 HIS A 125 12.169 -16.888 -6.995 1.00 1.30 N ATOM 1833 CD2 HIS A 125 10.267 -16.170 -7.788 1.00 1.29 C ATOM 1834 CE1 HIS A 125 11.309 -17.886 -6.908 1.00 1.54 C ATOM 1835 NE2 HIS A 125 10.147 -17.477 -7.382 1.00 1.54 N ATOM 0 H HIS A 125 12.820 -11.942 -8.705 1.00 0.67 H new ATOM 0 HA HIS A 125 11.018 -14.155 -9.513 1.00 0.71 H new ATOM 0 HB2 HIS A 125 13.230 -14.681 -8.194 1.00 0.82 H new ATOM 0 HB3 HIS A 125 12.383 -13.980 -6.829 1.00 0.82 H new ATOM 0 HD2 HIS A 125 9.488 -15.559 -8.220 1.00 1.29 H new ATOM 0 HE1 HIS A 125 11.520 -18.870 -6.516 1.00 1.54 H new ATOM 0 HE2 HIS A 125 9.298 -18.040 -7.438 1.00 1.54 H new ATOM 1844 N ASN A 126 9.350 -12.398 -8.685 1.00 0.63 N ATOM 1845 CA ASN A 126 8.247 -11.654 -8.084 1.00 0.62 C ATOM 1846 C ASN A 126 7.982 -12.119 -6.654 1.00 0.56 C ATOM 1847 O ASN A 126 8.080 -13.309 -6.350 1.00 0.81 O ATOM 1848 CB ASN A 126 6.981 -11.815 -8.927 1.00 0.76 C ATOM 1849 CG ASN A 126 6.830 -10.718 -9.962 1.00 1.00 C ATOM 1850 OD1 ASN A 126 6.588 -9.560 -9.621 1.00 1.63 O ATOM 1851 ND2 ASN A 126 6.973 -11.082 -11.232 1.00 1.08 N ATOM 0 H ASN A 126 9.243 -12.575 -9.684 1.00 0.63 H new ATOM 0 HA ASN A 126 8.528 -10.601 -8.054 1.00 0.62 H new ATOM 0 HB2 ASN A 126 7.003 -12.783 -9.428 1.00 0.76 H new ATOM 0 HB3 ASN A 126 6.110 -11.815 -8.272 1.00 0.76 H new ATOM 0 HD22 ASN A 126 7.173 -12.055 -11.464 1.00 1.08 H new ATOM 1857 N TYR A 127 7.643 -11.174 -5.783 1.00 0.51 N ATOM 1858 CA TYR A 127 7.358 -11.486 -4.385 1.00 0.50 C ATOM 1859 C TYR A 127 6.181 -10.659 -3.876 1.00 0.50 C ATOM 1860 O TYR A 127 5.876 -9.598 -4.421 1.00 0.60 O ATOM 1861 CB TYR A 127 8.591 -11.224 -3.516 1.00 0.52 C ATOM 1862 CG TYR A 127 9.405 -12.466 -3.227 1.00 0.59 C ATOM 1863 CD1 TYR A 127 9.039 -13.341 -2.213 1.00 0.98 C ATOM 1864 CD2 TYR A 127 10.539 -12.760 -3.971 1.00 0.71 C ATOM 1865 CE1 TYR A 127 9.782 -14.475 -1.947 1.00 1.09 C ATOM 1866 CE2 TYR A 127 11.288 -13.893 -3.712 1.00 0.77 C ATOM 1867 CZ TYR A 127 10.906 -14.747 -2.700 1.00 0.83 C ATOM 1868 OH TYR A 127 11.648 -15.876 -2.440 1.00 0.96 O ATOM 0 H TYR A 127 7.559 -10.185 -6.020 1.00 0.51 H new ATOM 0 HA TYR A 127 7.097 -12.542 -4.321 1.00 0.50 H new ATOM 0 HB2 TYR A 127 9.226 -10.491 -4.013 1.00 0.52 H new ATOM 0 HB3 TYR A 127 8.272 -10.781 -2.572 1.00 0.52 H new ATOM 0 HD1 TYR A 127 8.159 -13.132 -1.623 1.00 0.98 H new ATOM 0 HD2 TYR A 127 10.841 -12.093 -4.765 1.00 0.71 H new ATOM 0 HE1 TYR A 127 9.485 -15.145 -1.154 1.00 1.09 H new ATOM 0 HE2 TYR A 127 12.168 -14.108 -4.300 1.00 0.77 H new ATOM 0 HH TYR A 127 12.405 -15.920 -3.060 1.00 0.96 H new ATOM 1878 N THR A 128 5.525 -11.151 -2.831 1.00 0.55 N ATOM 1879 CA THR A 128 4.382 -10.454 -2.253 1.00 0.58 C ATOM 1880 C THR A 128 4.279 -10.713 -0.754 1.00 0.64 C ATOM 1881 O THR A 128 3.277 -11.240 -0.270 1.00 0.86 O ATOM 1882 CB THR A 128 3.063 -10.877 -2.927 1.00 0.64 C ATOM 1883 OG1 THR A 128 3.337 -11.697 -4.069 1.00 1.13 O ATOM 1884 CG2 THR A 128 2.259 -9.658 -3.354 1.00 1.36 C ATOM 0 H THR A 128 5.764 -12.028 -2.368 1.00 0.55 H new ATOM 0 HA THR A 128 4.543 -9.390 -2.425 1.00 0.58 H new ATOM 0 HB THR A 128 2.477 -11.445 -2.204 1.00 0.64 H new ATOM 0 HG1 THR A 128 2.493 -11.963 -4.491 1.00 1.13 H new ATOM 0 HG21 THR A 128 1.332 -9.981 -3.827 1.00 1.36 H new ATOM 0 HG22 THR A 128 2.027 -9.050 -2.479 1.00 1.36 H new ATOM 0 HG23 THR A 128 2.841 -9.068 -4.062 1.00 1.36 H new ATOM 1892 N ASP A 129 5.321 -10.331 -0.026 1.00 0.55 N ATOM 1893 CA ASP A 129 5.353 -10.511 1.419 1.00 0.60 C ATOM 1894 C ASP A 129 6.761 -10.292 1.960 1.00 0.54 C ATOM 1895 O ASP A 129 7.743 -10.713 1.352 1.00 0.69 O ATOM 1896 CB ASP A 129 4.860 -11.910 1.795 1.00 0.74 C ATOM 1897 CG ASP A 129 5.347 -12.973 0.829 1.00 1.67 C ATOM 1898 OD1 ASP A 129 6.566 -13.022 0.566 1.00 2.50 O ATOM 1899 OD2 ASP A 129 4.509 -13.756 0.337 1.00 2.29 O ATOM 0 H ASP A 129 6.157 -9.894 -0.414 1.00 0.55 H new ATOM 0 HA ASP A 129 4.690 -9.771 1.867 1.00 0.60 H new ATOM 0 HB2 ASP A 129 5.200 -12.154 2.801 1.00 0.74 H new ATOM 0 HB3 ASP A 129 3.770 -11.915 1.817 1.00 0.74 H new ATOM 1904 N CYS A 130 6.848 -9.625 3.105 1.00 0.52 N ATOM 1905 CA CYS A 130 8.134 -9.343 3.729 1.00 0.49 C ATOM 1906 C CYS A 130 8.988 -10.604 3.809 1.00 0.52 C ATOM 1907 O CYS A 130 8.977 -11.310 4.818 1.00 0.63 O ATOM 1908 CB CYS A 130 7.929 -8.761 5.129 1.00 0.58 C ATOM 1909 SG CYS A 130 6.576 -7.546 5.239 1.00 1.16 S ATOM 0 H CYS A 130 6.042 -9.269 3.620 1.00 0.52 H new ATOM 0 HA CYS A 130 8.656 -8.611 3.112 1.00 0.49 H new ATOM 0 HB2 CYS A 130 7.728 -9.576 5.824 1.00 0.58 H new ATOM 0 HB3 CYS A 130 8.856 -8.287 5.453 1.00 0.58 H new ATOM 1914 N THR A 131 9.725 -10.880 2.739 1.00 0.50 N ATOM 1915 CA THR A 131 10.584 -12.056 2.686 1.00 0.59 C ATOM 1916 C THR A 131 11.837 -11.859 3.533 1.00 0.64 C ATOM 1917 O THR A 131 12.290 -10.733 3.736 1.00 0.61 O ATOM 1918 CB THR A 131 11.002 -12.381 1.241 1.00 0.65 C ATOM 1919 OG1 THR A 131 11.917 -13.485 1.231 1.00 0.79 O ATOM 1920 CG2 THR A 131 11.651 -11.175 0.580 1.00 0.63 C ATOM 0 H THR A 131 9.745 -10.305 1.897 1.00 0.50 H new ATOM 0 HA THR A 131 10.005 -12.889 3.085 1.00 0.59 H new ATOM 0 HB THR A 131 10.106 -12.646 0.679 1.00 0.65 H new ATOM 0 HG1 THR A 131 12.177 -13.686 0.308 1.00 0.79 H new ATOM 0 HG21 THR A 131 11.938 -11.430 -0.440 1.00 0.63 H new ATOM 0 HG22 THR A 131 10.944 -10.346 0.562 1.00 0.63 H new ATOM 0 HG23 THR A 131 12.537 -10.884 1.144 1.00 0.63 H new ATOM 1928 N SER A 132 12.392 -12.963 4.025 1.00 0.79 N ATOM 1929 CA SER A 132 13.594 -12.910 4.850 1.00 0.87 C ATOM 1930 C SER A 132 14.794 -13.478 4.100 1.00 0.99 C ATOM 1931 O SER A 132 15.477 -14.377 4.591 1.00 1.26 O ATOM 1932 CB SER A 132 13.377 -13.686 6.151 1.00 0.94 C ATOM 1933 OG SER A 132 12.088 -13.437 6.686 1.00 1.77 O ATOM 0 H SER A 132 12.029 -13.903 3.867 1.00 0.79 H new ATOM 0 HA SER A 132 13.798 -11.866 5.086 1.00 0.87 H new ATOM 0 HB2 SER A 132 13.497 -14.753 5.965 1.00 0.94 H new ATOM 0 HB3 SER A 132 14.137 -13.402 6.879 1.00 0.94 H new ATOM 0 HG SER A 132 11.974 -13.946 7.516 1.00 1.77 H new ATOM 1939 N GLU A 133 15.045 -12.948 2.908 1.00 0.93 N ATOM 1940 CA GLU A 133 16.163 -13.402 2.090 1.00 1.08 C ATOM 1941 C GLU A 133 17.446 -12.664 2.462 1.00 1.30 C ATOM 1942 O GLU A 133 17.559 -11.455 2.259 1.00 1.66 O ATOM 1943 CB GLU A 133 15.854 -13.194 0.606 1.00 1.08 C ATOM 1944 CG GLU A 133 15.400 -14.459 -0.104 1.00 1.33 C ATOM 1945 CD GLU A 133 16.549 -15.400 -0.412 1.00 1.77 C ATOM 1946 OE1 GLU A 133 17.646 -14.906 -0.744 1.00 2.32 O ATOM 1947 OE2 GLU A 133 16.350 -16.630 -0.322 1.00 2.18 O ATOM 0 H GLU A 133 14.489 -12.204 2.487 1.00 0.93 H new ATOM 0 HA GLU A 133 16.309 -14.466 2.279 1.00 1.08 H new ATOM 0 HB2 GLU A 133 15.079 -12.434 0.508 1.00 1.08 H new ATOM 0 HB3 GLU A 133 16.744 -12.808 0.109 1.00 1.08 H new ATOM 0 HG2 GLU A 133 14.668 -14.976 0.516 1.00 1.33 H new ATOM 0 HG3 GLU A 133 14.897 -14.189 -1.033 1.00 1.33 H new ATOM 1954 N GLY A 134 18.408 -13.399 3.008 1.00 1.70 N ATOM 1955 CA GLY A 134 19.669 -12.797 3.400 1.00 2.03 C ATOM 1956 C GLY A 134 19.710 -12.443 4.873 1.00 1.82 C ATOM 1957 O GLY A 134 20.755 -12.059 5.397 1.00 2.04 O ATOM 0 H GLY A 134 18.337 -14.401 3.186 1.00 1.70 H new ATOM 0 HA2 GLY A 134 20.483 -13.485 3.172 1.00 2.03 H new ATOM 0 HA3 GLY A 134 19.838 -11.897 2.809 1.00 2.03 H new ATOM 1961 N ARG A 135 18.570 -12.571 5.542 1.00 1.54 N ATOM 1962 CA ARG A 135 18.478 -12.261 6.965 1.00 1.45 C ATOM 1963 C ARG A 135 18.242 -13.526 7.783 1.00 1.53 C ATOM 1964 O ARG A 135 17.491 -14.412 7.374 1.00 2.21 O ATOM 1965 CB ARG A 135 17.351 -11.258 7.219 1.00 1.43 C ATOM 1966 CG ARG A 135 17.604 -9.891 6.604 1.00 1.68 C ATOM 1967 CD ARG A 135 17.021 -8.779 7.460 1.00 1.31 C ATOM 1968 NE ARG A 135 17.703 -8.664 8.746 1.00 1.46 N ATOM 1969 CZ ARG A 135 18.878 -8.066 8.905 1.00 1.70 C ATOM 1970 NH1 ARG A 135 19.499 -7.531 7.865 1.00 2.09 N ATOM 1971 NH2 ARG A 135 19.434 -8.002 10.108 1.00 2.04 N ATOM 0 H ARG A 135 17.696 -12.887 5.122 1.00 1.54 H new ATOM 0 HA ARG A 135 19.425 -11.819 7.277 1.00 1.45 H new ATOM 0 HB2 ARG A 135 16.420 -11.661 6.819 1.00 1.43 H new ATOM 0 HB3 ARG A 135 17.213 -11.144 8.294 1.00 1.43 H new ATOM 0 HG2 ARG A 135 18.677 -9.737 6.486 1.00 1.68 H new ATOM 0 HG3 ARG A 135 17.165 -9.852 5.607 1.00 1.68 H new ATOM 0 HD2 ARG A 135 17.095 -7.833 6.924 1.00 1.31 H new ATOM 0 HD3 ARG A 135 15.961 -8.968 7.628 1.00 1.31 H new ATOM 0 HE ARG A 135 17.252 -9.065 9.568 1.00 1.46 H new ATOM 0 HH11 ARG A 135 19.075 -7.578 6.939 1.00 2.09 H new ATOM 0 HH12 ARG A 135 20.401 -7.072 7.990 1.00 2.09 H new ATOM 0 HH21 ARG A 135 18.959 -8.412 10.912 1.00 2.04 H new ATOM 0 HH22 ARG A 135 20.337 -7.542 10.229 1.00 2.04 H new ATOM 1985 N ARG A 136 18.889 -13.605 8.942 1.00 1.62 N ATOM 1986 CA ARG A 136 18.750 -14.761 9.818 1.00 1.82 C ATOM 1987 C ARG A 136 18.194 -14.350 11.177 1.00 1.76 C ATOM 1988 O ARG A 136 18.225 -15.127 12.133 1.00 2.04 O ATOM 1989 CB ARG A 136 20.100 -15.458 9.995 1.00 2.11 C ATOM 1990 CG ARG A 136 20.249 -16.720 9.161 1.00 2.26 C ATOM 1991 CD ARG A 136 21.558 -17.433 9.455 1.00 2.81 C ATOM 1992 NE ARG A 136 21.718 -18.640 8.649 1.00 3.43 N ATOM 1993 CZ ARG A 136 22.822 -19.378 8.640 1.00 3.99 C ATOM 1994 NH1 ARG A 136 23.859 -19.032 9.390 1.00 4.13 N ATOM 1995 NH2 ARG A 136 22.891 -20.463 7.881 1.00 4.83 N ATOM 0 H ARG A 136 19.515 -12.881 9.295 1.00 1.62 H new ATOM 0 HA ARG A 136 18.049 -15.455 9.354 1.00 1.82 H new ATOM 0 HB2 ARG A 136 20.896 -14.762 9.730 1.00 2.11 H new ATOM 0 HB3 ARG A 136 20.234 -15.710 11.047 1.00 2.11 H new ATOM 0 HG2 ARG A 136 19.415 -17.391 9.364 1.00 2.26 H new ATOM 0 HG3 ARG A 136 20.203 -16.465 8.102 1.00 2.26 H new ATOM 0 HD2 ARG A 136 22.390 -16.756 9.263 1.00 2.81 H new ATOM 0 HD3 ARG A 136 21.598 -17.695 10.512 1.00 2.81 H new ATOM 0 HE ARG A 136 20.938 -18.933 8.060 1.00 3.43 H new ATOM 0 HH11 ARG A 136 23.810 -18.198 9.975 1.00 4.13 H new ATOM 0 HH12 ARG A 136 24.706 -19.600 9.382 1.00 4.13 H new ATOM 0 HH21 ARG A 136 22.095 -20.732 7.303 1.00 4.83 H new ATOM 0 HH22 ARG A 136 23.740 -21.028 7.876 1.00 4.83 H new ATOM 2009 N ASP A 137 17.687 -13.125 11.258 1.00 1.53 N ATOM 2010 CA ASP A 137 17.124 -12.610 12.500 1.00 1.54 C ATOM 2011 C ASP A 137 15.682 -12.154 12.297 1.00 1.41 C ATOM 2012 O ASP A 137 15.382 -11.407 11.367 1.00 1.91 O ATOM 2013 CB ASP A 137 17.968 -11.448 13.025 1.00 1.59 C ATOM 2014 CG ASP A 137 18.702 -10.720 11.916 1.00 1.68 C ATOM 2015 OD1 ASP A 137 18.213 -10.742 10.767 1.00 1.92 O ATOM 2016 OD2 ASP A 137 19.765 -10.126 12.197 1.00 1.95 O ATOM 0 H ASP A 137 17.654 -12.470 10.477 1.00 1.53 H new ATOM 0 HA ASP A 137 17.132 -13.416 13.233 1.00 1.54 H new ATOM 0 HB2 ASP A 137 17.324 -10.745 13.554 1.00 1.59 H new ATOM 0 HB3 ASP A 137 18.691 -11.825 13.749 1.00 1.59 H new ATOM 2021 N ASN A 138 14.794 -12.611 13.174 1.00 1.29 N ATOM 2022 CA ASN A 138 13.383 -12.251 13.091 1.00 1.21 C ATOM 2023 C ASN A 138 13.219 -10.776 12.737 1.00 1.05 C ATOM 2024 O ASN A 138 13.174 -9.917 13.618 1.00 1.14 O ATOM 2025 CB ASN A 138 12.679 -12.550 14.416 1.00 1.35 C ATOM 2026 CG ASN A 138 11.839 -13.810 14.352 1.00 2.13 C ATOM 2027 OD1 ASN A 138 11.028 -13.985 13.443 1.00 2.81 O ATOM 2028 ND2 ASN A 138 12.029 -14.699 15.321 1.00 2.75 N ATOM 0 H ASN A 138 15.026 -13.231 13.950 1.00 1.29 H new ATOM 0 HA ASN A 138 12.927 -12.850 12.303 1.00 1.21 H new ATOM 0 HB2 ASN A 138 13.424 -12.653 15.205 1.00 1.35 H new ATOM 0 HB3 ASN A 138 12.044 -11.706 14.685 1.00 1.35 H new ATOM 0 HD21 ASN A 138 11.492 -15.566 15.330 1.00 2.75 H new ATOM 0 HD22 ASN A 138 12.712 -14.514 16.056 1.00 2.75 H new ATOM 2035 N MET A 139 13.129 -10.490 11.442 1.00 0.98 N ATOM 2036 CA MET A 139 12.969 -9.119 10.971 1.00 0.94 C ATOM 2037 C MET A 139 12.514 -9.093 9.517 1.00 0.88 C ATOM 2038 O MET A 139 13.140 -8.455 8.671 1.00 1.35 O ATOM 2039 CB MET A 139 14.283 -8.350 11.120 1.00 1.16 C ATOM 2040 CG MET A 139 14.096 -6.848 11.269 1.00 1.50 C ATOM 2041 SD MET A 139 15.645 -5.985 11.594 1.00 1.69 S ATOM 2042 CE MET A 139 15.415 -5.510 13.305 1.00 2.06 C ATOM 0 H MET A 139 13.164 -11.189 10.700 1.00 0.98 H new ATOM 0 HA MET A 139 12.204 -8.639 11.581 1.00 0.94 H new ATOM 0 HB2 MET A 139 14.819 -8.729 11.990 1.00 1.16 H new ATOM 0 HB3 MET A 139 14.909 -8.545 10.249 1.00 1.16 H new ATOM 0 HG2 MET A 139 13.646 -6.450 10.359 1.00 1.50 H new ATOM 0 HG3 MET A 139 13.397 -6.652 12.082 1.00 1.50 H new ATOM 0 HE1 MET A 139 16.293 -4.965 13.652 1.00 2.06 H new ATOM 0 HE2 MET A 139 14.535 -4.873 13.391 1.00 2.06 H new ATOM 0 HE3 MET A 139 15.277 -6.403 13.915 1.00 2.06 H new ATOM 2052 N LYS A 140 11.418 -9.790 9.232 1.00 0.62 N ATOM 2053 CA LYS A 140 10.878 -9.847 7.879 1.00 0.59 C ATOM 2054 C LYS A 140 11.051 -8.509 7.167 1.00 0.52 C ATOM 2055 O LYS A 140 10.920 -7.448 7.778 1.00 0.59 O ATOM 2056 CB LYS A 140 9.398 -10.231 7.913 1.00 0.71 C ATOM 2057 CG LYS A 140 8.520 -9.208 8.613 1.00 1.63 C ATOM 2058 CD LYS A 140 7.807 -9.812 9.812 1.00 1.96 C ATOM 2059 CE LYS A 140 6.652 -10.703 9.384 1.00 2.19 C ATOM 2060 NZ LYS A 140 7.129 -11.964 8.751 1.00 2.58 N ATOM 0 H LYS A 140 10.887 -10.323 9.921 1.00 0.62 H new ATOM 0 HA LYS A 140 11.431 -10.607 7.327 1.00 0.59 H new ATOM 0 HB2 LYS A 140 9.042 -10.364 6.891 1.00 0.71 H new ATOM 0 HB3 LYS A 140 9.292 -11.193 8.415 1.00 0.71 H new ATOM 0 HG2 LYS A 140 9.130 -8.365 8.938 1.00 1.63 H new ATOM 0 HG3 LYS A 140 7.784 -8.817 7.910 1.00 1.63 H new ATOM 0 HD2 LYS A 140 8.515 -10.392 10.403 1.00 1.96 H new ATOM 0 HD3 LYS A 140 7.434 -9.014 10.454 1.00 1.96 H new ATOM 0 HE2 LYS A 140 6.037 -10.942 10.252 1.00 2.19 H new ATOM 0 HE3 LYS A 140 6.017 -10.162 8.682 1.00 2.19 H new ATOM 0 HZ1 LYS A 140 6.355 -12.659 8.736 1.00 2.58 H new ATOM 0 HZ2 LYS A 140 7.438 -11.768 7.777 1.00 2.58 H new ATOM 0 HZ3 LYS A 140 7.927 -12.346 9.297 1.00 2.58 H new ATOM 2074 N TRP A 141 11.346 -8.566 5.873 1.00 0.52 N ATOM 2075 CA TRP A 141 11.537 -7.359 5.078 1.00 0.48 C ATOM 2076 C TRP A 141 10.995 -7.548 3.664 1.00 0.38 C ATOM 2077 O TRP A 141 10.745 -8.673 3.230 1.00 0.42 O ATOM 2078 CB TRP A 141 13.021 -6.991 5.022 1.00 0.57 C ATOM 2079 CG TRP A 141 13.840 -7.945 4.209 1.00 0.58 C ATOM 2080 CD1 TRP A 141 14.541 -9.021 4.669 1.00 0.72 C ATOM 2081 CD2 TRP A 141 14.043 -7.907 2.793 1.00 0.54 C ATOM 2082 NE1 TRP A 141 15.168 -9.657 3.624 1.00 0.78 N ATOM 2083 CE2 TRP A 141 14.877 -8.992 2.462 1.00 0.67 C ATOM 2084 CE3 TRP A 141 13.600 -7.062 1.771 1.00 0.49 C ATOM 2085 CZ2 TRP A 141 15.276 -9.252 1.154 1.00 0.73 C ATOM 2086 CZ3 TRP A 141 13.997 -7.322 0.473 1.00 0.55 C ATOM 2087 CH2 TRP A 141 14.827 -8.409 0.175 1.00 0.66 C ATOM 0 H TRP A 141 11.458 -9.436 5.352 1.00 0.52 H new ATOM 0 HA TRP A 141 10.986 -6.548 5.554 1.00 0.48 H new ATOM 0 HB2 TRP A 141 13.124 -5.989 4.605 1.00 0.57 H new ATOM 0 HB3 TRP A 141 13.418 -6.956 6.037 1.00 0.57 H new ATOM 0 HD1 TRP A 141 14.595 -9.328 5.703 1.00 0.72 H new ATOM 0 HE1 TRP A 141 15.754 -10.488 3.701 1.00 0.78 H new ATOM 0 HE3 TRP A 141 12.959 -6.221 1.992 1.00 0.49 H new ATOM 0 HZ2 TRP A 141 15.917 -10.089 0.921 1.00 0.73 H new ATOM 0 HZ3 TRP A 141 13.661 -6.676 -0.325 1.00 0.55 H new ATOM 0 HH2 TRP A 141 15.119 -8.586 -0.850 1.00 0.66 H new ATOM 2098 N CYS A 142 10.812 -6.441 2.951 1.00 0.35 N ATOM 2099 CA CYS A 142 10.297 -6.488 1.587 1.00 0.37 C ATOM 2100 C CYS A 142 10.952 -5.419 0.718 1.00 0.34 C ATOM 2101 O CYS A 142 11.801 -4.659 1.184 1.00 0.46 O ATOM 2102 CB CYS A 142 8.780 -6.299 1.587 1.00 0.50 C ATOM 2103 SG CYS A 142 8.200 -4.935 2.647 1.00 0.68 S ATOM 0 H CYS A 142 11.012 -5.502 3.295 1.00 0.35 H new ATOM 0 HA CYS A 142 10.537 -7.466 1.170 1.00 0.37 H new ATOM 0 HB2 CYS A 142 8.447 -6.117 0.565 1.00 0.50 H new ATOM 0 HB3 CYS A 142 8.309 -7.226 1.916 1.00 0.50 H new ATOM 2108 N GLY A 143 10.548 -5.367 -0.547 1.00 0.37 N ATOM 2109 CA GLY A 143 11.101 -4.389 -1.463 1.00 0.38 C ATOM 2110 C GLY A 143 10.343 -3.077 -1.438 1.00 0.37 C ATOM 2111 O GLY A 143 9.113 -3.064 -1.404 1.00 0.37 O ATOM 0 H GLY A 143 9.847 -5.986 -0.954 1.00 0.37 H new ATOM 0 HA2 GLY A 143 12.145 -4.207 -1.208 1.00 0.38 H new ATOM 0 HA3 GLY A 143 11.086 -4.794 -2.475 1.00 0.38 H new ATOM 2115 N THR A 144 11.079 -1.971 -1.457 1.00 0.40 N ATOM 2116 CA THR A 144 10.468 -0.648 -1.437 1.00 0.44 C ATOM 2117 C THR A 144 9.865 -0.298 -2.795 1.00 0.44 C ATOM 2118 O THR A 144 9.304 0.783 -2.974 1.00 0.50 O ATOM 2119 CB THR A 144 11.492 0.434 -1.050 1.00 0.50 C ATOM 2120 OG1 THR A 144 12.722 0.221 -1.753 1.00 1.01 O ATOM 2121 CG2 THR A 144 11.751 0.422 0.448 1.00 1.18 C ATOM 0 H THR A 144 12.099 -1.965 -1.486 1.00 0.40 H new ATOM 0 HA THR A 144 9.676 -0.676 -0.688 1.00 0.44 H new ATOM 0 HB THR A 144 11.081 1.405 -1.325 1.00 0.50 H new ATOM 0 HG1 THR A 144 13.177 -0.565 -1.385 1.00 1.01 H new ATOM 0 HG21 THR A 144 12.478 1.195 0.698 1.00 1.18 H new ATOM 0 HG22 THR A 144 10.819 0.614 0.980 1.00 1.18 H new ATOM 0 HG23 THR A 144 12.142 -0.552 0.742 1.00 1.18 H new ATOM 2129 N THR A 145 9.983 -1.219 -3.747 1.00 0.44 N ATOM 2130 CA THR A 145 9.448 -1.004 -5.086 1.00 0.47 C ATOM 2131 C THR A 145 9.026 -2.323 -5.727 1.00 0.49 C ATOM 2132 O THR A 145 9.251 -3.396 -5.166 1.00 0.72 O ATOM 2133 CB THR A 145 10.477 -0.309 -5.996 1.00 0.46 C ATOM 2134 OG1 THR A 145 11.430 -1.264 -6.478 1.00 0.55 O ATOM 2135 CG2 THR A 145 11.200 0.802 -5.247 1.00 0.45 C ATOM 0 H THR A 145 10.444 -2.120 -3.616 1.00 0.44 H new ATOM 0 HA THR A 145 8.575 -0.360 -4.979 1.00 0.47 H new ATOM 0 HB THR A 145 9.944 0.130 -6.840 1.00 0.46 H new ATOM 0 HG1 THR A 145 12.080 -0.814 -7.057 1.00 0.55 H new ATOM 0 HG21 THR A 145 11.922 1.278 -5.911 1.00 0.45 H new ATOM 0 HG22 THR A 145 10.476 1.543 -4.907 1.00 0.45 H new ATOM 0 HG23 THR A 145 11.720 0.382 -4.386 1.00 0.45 H new ATOM 2143 N GLN A 146 8.415 -2.236 -6.903 1.00 0.53 N ATOM 2144 CA GLN A 146 7.962 -3.424 -7.619 1.00 0.56 C ATOM 2145 C GLN A 146 9.142 -4.308 -8.015 1.00 0.49 C ATOM 2146 O GLN A 146 8.961 -5.447 -8.443 1.00 0.64 O ATOM 2147 CB GLN A 146 7.171 -3.022 -8.865 1.00 0.66 C ATOM 2148 CG GLN A 146 8.040 -2.498 -9.996 1.00 1.49 C ATOM 2149 CD GLN A 146 7.586 -2.989 -11.356 1.00 1.91 C ATOM 2150 OE1 GLN A 146 6.832 -3.956 -11.461 1.00 2.49 O ATOM 2151 NE2 GLN A 146 8.046 -2.323 -12.410 1.00 2.40 N ATOM 0 H GLN A 146 8.222 -1.356 -7.381 1.00 0.53 H new ATOM 0 HA GLN A 146 7.315 -3.993 -6.952 1.00 0.56 H new ATOM 0 HB2 GLN A 146 6.607 -3.884 -9.221 1.00 0.66 H new ATOM 0 HB3 GLN A 146 6.444 -2.257 -8.592 1.00 0.66 H new ATOM 0 HG2 GLN A 146 8.027 -1.408 -9.984 1.00 1.49 H new ATOM 0 HG3 GLN A 146 9.072 -2.806 -9.829 1.00 1.49 H new ATOM 0 HE21 GLN A 146 8.669 -1.527 -12.278 1.00 2.40 H new ATOM 0 HE22 GLN A 146 7.776 -2.608 -13.351 1.00 2.40 H new ATOM 2160 N ASN A 147 10.350 -3.774 -7.868 1.00 0.48 N ATOM 2161 CA ASN A 147 11.561 -4.511 -8.209 1.00 0.48 C ATOM 2162 C ASN A 147 12.708 -4.122 -7.281 1.00 0.45 C ATOM 2163 O ASN A 147 13.590 -3.350 -7.658 1.00 0.52 O ATOM 2164 CB ASN A 147 11.948 -4.248 -9.665 1.00 0.59 C ATOM 2165 CG ASN A 147 10.840 -4.610 -10.634 1.00 1.21 C ATOM 2166 OD1 ASN A 147 10.403 -5.758 -10.695 1.00 1.78 O ATOM 2167 ND2 ASN A 147 10.380 -3.628 -11.400 1.00 1.95 N ATOM 0 H ASN A 147 10.516 -2.832 -7.514 1.00 0.48 H new ATOM 0 HA ASN A 147 11.362 -5.575 -8.083 1.00 0.48 H new ATOM 0 HB2 ASN A 147 12.202 -3.195 -9.786 1.00 0.59 H new ATOM 0 HB3 ASN A 147 12.842 -4.822 -9.909 1.00 0.59 H new ATOM 0 HD21 ASN A 147 9.635 -3.812 -12.072 1.00 1.95 H new ATOM 0 HD22 ASN A 147 10.772 -2.690 -11.316 1.00 1.95 H new ATOM 2174 N TYR A 148 12.684 -4.659 -6.067 1.00 0.40 N ATOM 2175 CA TYR A 148 13.716 -4.370 -5.077 1.00 0.41 C ATOM 2176 C TYR A 148 15.110 -4.577 -5.661 1.00 0.47 C ATOM 2177 O TYR A 148 15.914 -3.647 -5.716 1.00 0.55 O ATOM 2178 CB TYR A 148 13.521 -5.253 -3.841 1.00 0.42 C ATOM 2179 CG TYR A 148 14.783 -5.476 -3.038 1.00 0.43 C ATOM 2180 CD1 TYR A 148 15.534 -4.403 -2.575 1.00 0.58 C ATOM 2181 CD2 TYR A 148 15.220 -6.760 -2.743 1.00 0.46 C ATOM 2182 CE1 TYR A 148 16.687 -4.604 -1.840 1.00 0.64 C ATOM 2183 CE2 TYR A 148 16.372 -6.970 -2.008 1.00 0.51 C ATOM 2184 CZ TYR A 148 17.101 -5.889 -1.559 1.00 0.55 C ATOM 2185 OH TYR A 148 18.249 -6.094 -0.827 1.00 0.65 O ATOM 0 H TYR A 148 11.959 -5.299 -5.743 1.00 0.40 H new ATOM 0 HA TYR A 148 13.625 -3.324 -4.785 1.00 0.41 H new ATOM 0 HB2 TYR A 148 12.769 -4.798 -3.197 1.00 0.42 H new ATOM 0 HB3 TYR A 148 13.128 -6.220 -4.156 1.00 0.42 H new ATOM 0 HD1 TYR A 148 15.212 -3.396 -2.793 1.00 0.58 H new ATOM 0 HD2 TYR A 148 14.651 -7.609 -3.093 1.00 0.46 H new ATOM 0 HE1 TYR A 148 17.261 -3.759 -1.488 1.00 0.64 H new ATOM 0 HE2 TYR A 148 16.699 -7.975 -1.787 1.00 0.51 H new ATOM 0 HH TYR A 148 18.248 -5.504 -0.044 1.00 0.65 H new ATOM 2195 N ASP A 149 15.392 -5.801 -6.093 1.00 0.50 N ATOM 2196 CA ASP A 149 16.693 -6.126 -6.669 1.00 0.60 C ATOM 2197 C ASP A 149 16.995 -5.235 -7.870 1.00 0.64 C ATOM 2198 O ASP A 149 18.140 -5.139 -8.312 1.00 0.75 O ATOM 2199 CB ASP A 149 16.735 -7.597 -7.089 1.00 0.68 C ATOM 2200 CG ASP A 149 18.081 -7.995 -7.661 1.00 1.14 C ATOM 2201 OD1 ASP A 149 18.980 -8.353 -6.871 1.00 1.74 O ATOM 2202 OD2 ASP A 149 18.238 -7.951 -8.899 1.00 1.75 O ATOM 0 H ASP A 149 14.739 -6.584 -6.056 1.00 0.50 H new ATOM 0 HA ASP A 149 17.453 -5.950 -5.908 1.00 0.60 H new ATOM 0 HB2 ASP A 149 16.509 -8.225 -6.227 1.00 0.68 H new ATOM 0 HB3 ASP A 149 15.958 -7.783 -7.831 1.00 0.68 H new ATOM 2207 N ALA A 150 15.961 -4.583 -8.390 1.00 0.62 N ATOM 2208 CA ALA A 150 16.113 -3.699 -9.538 1.00 0.72 C ATOM 2209 C ALA A 150 16.528 -2.300 -9.097 1.00 0.74 C ATOM 2210 O ALA A 150 17.123 -1.546 -9.867 1.00 0.96 O ATOM 2211 CB ALA A 150 14.818 -3.643 -10.331 1.00 0.86 C ATOM 0 H ALA A 150 15.008 -4.651 -8.034 1.00 0.62 H new ATOM 0 HA ALA A 150 16.900 -4.099 -10.177 1.00 0.72 H new ATOM 0 HB1 ALA A 150 14.944 -2.979 -11.186 1.00 0.86 H new ATOM 0 HB2 ALA A 150 14.563 -4.643 -10.682 1.00 0.86 H new ATOM 0 HB3 ALA A 150 14.017 -3.267 -9.694 1.00 0.86 H new ATOM 2217 N ASP A 151 16.210 -1.960 -7.852 1.00 0.66 N ATOM 2218 CA ASP A 151 16.549 -0.651 -7.307 1.00 0.72 C ATOM 2219 C ASP A 151 17.561 -0.778 -6.173 1.00 0.69 C ATOM 2220 O ASP A 151 18.196 0.201 -5.782 1.00 0.93 O ATOM 2221 CB ASP A 151 15.289 0.058 -6.806 1.00 0.86 C ATOM 2222 CG ASP A 151 15.052 1.381 -7.510 1.00 1.32 C ATOM 2223 OD1 ASP A 151 15.865 2.309 -7.316 1.00 1.84 O ATOM 2224 OD2 ASP A 151 14.054 1.487 -8.252 1.00 1.73 O ATOM 0 H ASP A 151 15.718 -2.573 -7.202 1.00 0.66 H new ATOM 0 HA ASP A 151 16.998 -0.059 -8.104 1.00 0.72 H new ATOM 0 HB2 ASP A 151 14.426 -0.591 -6.957 1.00 0.86 H new ATOM 0 HB3 ASP A 151 15.375 0.230 -5.733 1.00 0.86 H new ATOM 2229 N GLN A 152 17.705 -1.991 -5.650 1.00 0.63 N ATOM 2230 CA GLN A 152 18.639 -2.246 -4.559 1.00 0.68 C ATOM 2231 C GLN A 152 18.250 -1.460 -3.312 1.00 0.71 C ATOM 2232 O GLN A 152 19.086 -0.796 -2.699 1.00 0.97 O ATOM 2233 CB GLN A 152 20.063 -1.879 -4.984 1.00 0.81 C ATOM 2234 CG GLN A 152 21.138 -2.670 -4.257 1.00 1.20 C ATOM 2235 CD GLN A 152 21.759 -3.746 -5.127 1.00 1.20 C ATOM 2236 OE1 GLN A 152 22.794 -3.530 -5.758 1.00 1.87 O ATOM 2237 NE2 GLN A 152 21.128 -4.914 -5.165 1.00 1.39 N ATOM 0 H GLN A 152 17.188 -2.812 -5.963 1.00 0.63 H new ATOM 0 HA GLN A 152 18.599 -3.309 -4.322 1.00 0.68 H new ATOM 0 HB2 GLN A 152 20.166 -2.042 -6.057 1.00 0.81 H new ATOM 0 HB3 GLN A 152 20.224 -0.816 -4.806 1.00 0.81 H new ATOM 0 HG2 GLN A 152 21.918 -1.989 -3.916 1.00 1.20 H new ATOM 0 HG3 GLN A 152 20.707 -3.131 -3.368 1.00 1.20 H new ATOM 0 HE21 GLN A 152 20.273 -5.049 -4.626 1.00 1.39 H new ATOM 0 HE22 GLN A 152 21.499 -5.676 -5.733 1.00 1.39 H new ATOM 2246 N LYS A 153 16.976 -1.540 -2.941 1.00 0.59 N ATOM 2247 CA LYS A 153 16.476 -0.835 -1.767 1.00 0.64 C ATOM 2248 C LYS A 153 15.439 -1.675 -1.029 1.00 0.55 C ATOM 2249 O LYS A 153 14.353 -1.934 -1.546 1.00 0.59 O ATOM 2250 CB LYS A 153 15.866 0.508 -2.173 1.00 0.80 C ATOM 2251 CG LYS A 153 16.791 1.364 -3.024 1.00 1.12 C ATOM 2252 CD LYS A 153 16.084 2.608 -3.537 1.00 0.95 C ATOM 2253 CE LYS A 153 16.408 3.824 -2.685 1.00 1.42 C ATOM 2254 NZ LYS A 153 17.789 4.324 -2.932 1.00 2.16 N ATOM 0 H LYS A 153 16.271 -2.086 -3.437 1.00 0.59 H new ATOM 0 HA LYS A 153 17.317 -0.656 -1.097 1.00 0.64 H new ATOM 0 HB2 LYS A 153 14.943 0.327 -2.724 1.00 0.80 H new ATOM 0 HB3 LYS A 153 15.597 1.062 -1.274 1.00 0.80 H new ATOM 0 HG2 LYS A 153 17.662 1.655 -2.437 1.00 1.12 H new ATOM 0 HG3 LYS A 153 17.157 0.778 -3.867 1.00 1.12 H new ATOM 0 HD2 LYS A 153 16.380 2.796 -4.569 1.00 0.95 H new ATOM 0 HD3 LYS A 153 15.007 2.441 -3.540 1.00 0.95 H new ATOM 0 HE2 LYS A 153 15.691 4.617 -2.897 1.00 1.42 H new ATOM 0 HE3 LYS A 153 16.298 3.569 -1.631 1.00 1.42 H new ATOM 0 HZ1 LYS A 153 18.140 4.809 -2.082 1.00 2.16 H new ATOM 0 HZ2 LYS A 153 18.413 3.523 -3.156 1.00 2.16 H new ATOM 0 HZ3 LYS A 153 17.780 4.989 -3.731 1.00 2.16 H new ATOM 2268 N PHE A 154 15.781 -2.097 0.185 1.00 0.54 N ATOM 2269 CA PHE A 154 14.879 -2.906 0.996 1.00 0.49 C ATOM 2270 C PHE A 154 14.546 -2.202 2.306 1.00 0.46 C ATOM 2271 O PHE A 154 15.156 -1.190 2.652 1.00 0.62 O ATOM 2272 CB PHE A 154 15.504 -4.273 1.281 1.00 0.53 C ATOM 2273 CG PHE A 154 16.630 -4.223 2.273 1.00 0.55 C ATOM 2274 CD1 PHE A 154 17.901 -3.835 1.878 1.00 0.71 C ATOM 2275 CD2 PHE A 154 16.420 -4.564 3.599 1.00 0.64 C ATOM 2276 CE1 PHE A 154 18.940 -3.788 2.788 1.00 0.87 C ATOM 2277 CE2 PHE A 154 17.455 -4.519 4.514 1.00 0.83 C ATOM 2278 CZ PHE A 154 18.717 -4.130 4.108 1.00 0.92 C ATOM 0 H PHE A 154 16.677 -1.892 0.628 1.00 0.54 H new ATOM 0 HA PHE A 154 13.954 -3.047 0.436 1.00 0.49 H new ATOM 0 HB2 PHE A 154 14.732 -4.946 1.654 1.00 0.53 H new ATOM 0 HB3 PHE A 154 15.872 -4.697 0.347 1.00 0.53 H new ATOM 0 HD1 PHE A 154 18.081 -3.566 0.848 1.00 0.71 H new ATOM 0 HD2 PHE A 154 15.435 -4.869 3.922 1.00 0.64 H new ATOM 0 HE1 PHE A 154 19.926 -3.484 2.468 1.00 0.87 H new ATOM 0 HE2 PHE A 154 17.277 -4.788 5.545 1.00 0.83 H new ATOM 0 HZ PHE A 154 19.527 -4.093 4.821 1.00 0.92 H new ATOM 2288 N GLY A 155 13.574 -2.744 3.034 1.00 0.39 N ATOM 2289 CA GLY A 155 13.177 -2.154 4.299 1.00 0.42 C ATOM 2290 C GLY A 155 12.510 -3.155 5.221 1.00 0.40 C ATOM 2291 O GLY A 155 11.838 -4.078 4.763 1.00 0.40 O ATOM 0 H GLY A 155 13.055 -3.581 2.770 1.00 0.39 H new ATOM 0 HA2 GLY A 155 14.055 -1.738 4.794 1.00 0.42 H new ATOM 0 HA3 GLY A 155 12.494 -1.326 4.112 1.00 0.42 H new ATOM 2295 N PHE A 156 12.694 -2.970 6.524 1.00 0.45 N ATOM 2296 CA PHE A 156 12.102 -3.864 7.513 1.00 0.47 C ATOM 2297 C PHE A 156 10.607 -3.599 7.654 1.00 0.47 C ATOM 2298 O PHE A 156 10.161 -2.455 7.580 1.00 0.59 O ATOM 2299 CB PHE A 156 12.793 -3.690 8.867 1.00 0.56 C ATOM 2300 CG PHE A 156 14.279 -3.907 8.816 1.00 0.65 C ATOM 2301 CD1 PHE A 156 14.802 -5.096 8.332 1.00 0.79 C ATOM 2302 CD2 PHE A 156 15.150 -2.923 9.251 1.00 0.93 C ATOM 2303 CE1 PHE A 156 16.168 -5.298 8.284 1.00 0.92 C ATOM 2304 CE2 PHE A 156 16.517 -3.119 9.205 1.00 1.02 C ATOM 2305 CZ PHE A 156 17.027 -4.309 8.721 1.00 0.91 C ATOM 0 H PHE A 156 13.248 -2.210 6.920 1.00 0.45 H new ATOM 0 HA PHE A 156 12.242 -4.890 7.172 1.00 0.47 H new ATOM 0 HB2 PHE A 156 12.593 -2.686 9.241 1.00 0.56 H new ATOM 0 HB3 PHE A 156 12.356 -4.389 9.581 1.00 0.56 H new ATOM 0 HD1 PHE A 156 14.135 -5.873 7.989 1.00 0.79 H new ATOM 0 HD2 PHE A 156 14.757 -1.992 9.631 1.00 0.93 H new ATOM 0 HE1 PHE A 156 16.564 -6.229 7.905 1.00 0.92 H new ATOM 0 HE2 PHE A 156 17.186 -2.343 9.547 1.00 1.02 H new ATOM 0 HZ PHE A 156 18.095 -4.465 8.685 1.00 0.91 H new ATOM 2315 N CYS A 157 9.838 -4.664 7.852 1.00 0.53 N ATOM 2316 CA CYS A 157 8.392 -4.545 7.999 1.00 0.57 C ATOM 2317 C CYS A 157 8.006 -4.347 9.461 1.00 0.52 C ATOM 2318 O CYS A 157 8.822 -4.542 10.361 1.00 0.63 O ATOM 2319 CB CYS A 157 7.698 -5.789 7.441 1.00 0.87 C ATOM 2320 SG CYS A 157 7.527 -5.795 5.627 1.00 1.20 S ATOM 0 H CYS A 157 10.191 -5.619 7.914 1.00 0.53 H new ATOM 0 HA CYS A 157 8.066 -3.671 7.435 1.00 0.57 H new ATOM 0 HB2 CYS A 157 8.260 -6.672 7.745 1.00 0.87 H new ATOM 0 HB3 CYS A 157 6.708 -5.871 7.889 1.00 0.87 H new ATOM 2325 N PRO A 158 6.748 -3.956 9.711 1.00 0.59 N ATOM 2326 CA PRO A 158 6.244 -3.729 11.069 1.00 0.80 C ATOM 2327 C PRO A 158 6.465 -4.933 11.978 1.00 1.02 C ATOM 2328 O PRO A 158 7.073 -5.924 11.574 1.00 1.39 O ATOM 2329 CB PRO A 158 4.747 -3.486 10.858 1.00 1.05 C ATOM 2330 CG PRO A 158 4.633 -3.002 9.453 1.00 0.82 C ATOM 2331 CD PRO A 158 5.720 -3.704 8.687 1.00 0.71 C ATOM 0 HA PRO A 158 6.758 -2.903 11.561 1.00 0.80 H new ATOM 0 HB2 PRO A 158 4.173 -4.400 11.009 1.00 1.05 H new ATOM 0 HB3 PRO A 158 4.363 -2.748 11.563 1.00 1.05 H new ATOM 0 HG2 PRO A 158 3.652 -3.233 9.039 1.00 0.82 H new ATOM 0 HG3 PRO A 158 4.755 -1.920 9.401 1.00 0.82 H new ATOM 0 HD2 PRO A 158 5.362 -4.631 8.240 1.00 0.71 H new ATOM 0 HD3 PRO A 158 6.104 -3.086 7.875 1.00 0.71 H new ATOM 2339 N MET A 159 5.968 -4.840 13.207 1.00 1.17 N ATOM 2340 CA MET A 159 6.112 -5.922 14.173 1.00 1.48 C ATOM 2341 C MET A 159 5.215 -7.100 13.807 1.00 2.11 C ATOM 2342 O MET A 159 5.512 -8.247 14.142 1.00 2.88 O ATOM 2343 CB MET A 159 5.775 -5.426 15.580 1.00 2.14 C ATOM 2344 CG MET A 159 4.286 -5.444 15.891 1.00 2.64 C ATOM 2345 SD MET A 159 3.860 -6.626 17.184 1.00 3.72 S ATOM 2346 CE MET A 159 4.177 -8.176 16.343 1.00 4.49 C ATOM 0 H MET A 159 5.462 -4.026 13.557 1.00 1.17 H new ATOM 0 HA MET A 159 7.149 -6.258 14.153 1.00 1.48 H new ATOM 0 HB2 MET A 159 6.298 -6.045 16.309 1.00 2.14 H new ATOM 0 HB3 MET A 159 6.150 -4.409 15.697 1.00 2.14 H new ATOM 0 HG2 MET A 159 3.971 -4.447 16.198 1.00 2.64 H new ATOM 0 HG3 MET A 159 3.732 -5.688 14.984 1.00 2.64 H new ATOM 0 HE1 MET A 159 3.763 -8.998 16.927 1.00 4.49 H new ATOM 0 HE2 MET A 159 3.709 -8.158 15.359 1.00 4.49 H new ATOM 0 HE3 MET A 159 5.252 -8.316 16.231 1.00 4.49 H new ATOM 2356 N ALA A 160 4.115 -6.809 13.120 1.00 2.60 N ATOM 2357 CA ALA A 160 3.175 -7.843 12.708 1.00 3.69 C ATOM 2358 C ALA A 160 2.883 -7.758 11.215 1.00 4.39 C ATOM 2359 O ALA A 160 2.963 -8.803 10.535 1.00 4.95 O ATOM 2360 CB ALA A 160 1.884 -7.731 13.507 1.00 4.47 C ATOM 2361 OXT ALA A 160 2.575 -6.646 10.735 1.00 4.79 O ATOM 0 H ALA A 160 3.853 -5.865 12.837 1.00 2.60 H new ATOM 0 HA ALA A 160 3.631 -8.813 12.907 1.00 3.69 H new ATOM 0 HB1 ALA A 160 1.191 -8.510 13.189 1.00 4.47 H new ATOM 0 HB2 ALA A 160 2.102 -7.850 14.568 1.00 4.47 H new ATOM 0 HB3 ALA A 160 1.434 -6.753 13.336 1.00 4.47 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 6.846 -10.098 -12.295 1.00 1.65 C HETATM 2369 C2 NAG A 161 7.562 -10.598 -13.536 1.00 1.77 C HETATM 2370 C3 NAG A 161 7.365 -9.590 -14.663 1.00 2.47 C HETATM 2371 C4 NAG A 161 5.859 -9.418 -14.969 1.00 3.01 C HETATM 2372 C5 NAG A 161 5.169 -8.922 -13.644 1.00 2.84 C HETATM 2373 C6 NAG A 161 3.648 -8.771 -13.804 1.00 3.35 C HETATM 2374 C7 NAG A 161 9.604 -11.926 -13.611 1.00 1.27 C HETATM 2375 C8 NAG A 161 11.094 -11.985 -13.290 1.00 1.24 C HETATM 2376 N2 NAG A 161 8.984 -10.796 -13.288 1.00 1.42 N HETATM 2377 O3 NAG A 161 8.031 -10.046 -15.830 1.00 2.64 O HETATM 2378 O4 NAG A 161 5.740 -8.474 -16.026 1.00 3.71 O HETATM 2379 O5 NAG A 161 5.451 -9.887 -12.591 1.00 2.11 O HETATM 2380 O6 NAG A 161 3.023 -9.992 -13.412 1.00 3.74 O HETATM 2381 O7 NAG A 161 9.024 -12.876 -14.138 1.00 1.59 O HETATM 0 HO6 NAG A 161 3.634 -10.503 -12.841 1.00 3.74 H new HETATM 0 HO4 NAG A 161 4.866 -8.574 -16.457 1.00 3.71 H new HETATM 0 HO3 NAG A 161 7.539 -9.749 -16.624 1.00 2.64 H new HETATM 0 HN2 NAG A 161 9.520 -10.045 -12.853 1.00 1.42 H new HETATM 0 H83 NAG A 161 11.613 -11.191 -13.826 1.00 1.24 H new HETATM 0 H82 NAG A 161 11.241 -11.855 -12.218 1.00 1.24 H new HETATM 0 H81 NAG A 161 11.494 -12.951 -13.596 1.00 1.24 H new HETATM 0 H62 NAG A 161 3.284 -7.946 -13.191 1.00 3.35 H new HETATM 0 H61 NAG A 161 3.399 -8.534 -14.838 1.00 3.35 H new HETATM 0 H5 NAG A 161 5.569 -7.939 -13.395 1.00 2.84 H new HETATM 0 H4 NAG A 161 5.377 -10.343 -15.285 1.00 3.01 H new HETATM 0 H3 NAG A 161 7.778 -8.630 -14.353 1.00 2.47 H new HETATM 0 H2 NAG A 161 7.139 -11.562 -13.817 1.00 1.77 H new CONECT 54 461 CONECT 437 545 CONECT 461 54 CONECT 545 437 CONECT 782 1188 CONECT 1007 1418 CONECT 1188 782 CONECT 1418 1007 CONECT 1681 2103 CONECT 1851 2368 CONECT 1909 2320 CONECT 2103 1681 CONECT 2320 1909 CONECT 2368 1851 2369 2379 2382 CONECT 2369 2368 2370 2376 2383 CONECT 2370 2369 2371 2377 2384 CONECT 2371 2370 2372 2378 2385 CONECT 2372 2371 2373 2379 2386 CONECT 2373 2372 2380 2387 2388 CONECT 2374 2375 2376 2381 CONECT 2375 2374 2389 2390 2391 CONECT 2376 2369 2374 2392 CONECT 2377 2370 2393 CONECT 2378 2371 2394 CONECT 2379 2368 2372 CONECT 2380 2373 2395 CONECT 2381 2374 CONECT 2382 2368 CONECT 2383 2369 CONECT 2384 2370 CONECT 2385 2371 CONECT 2386 2372 CONECT 2387 2373 CONECT 2388 2373 CONECT 2389 2375 CONECT 2390 2375 CONECT 2391 2375 CONECT 2392 2376 CONECT 2393 2377 CONECT 2394 2378 CONECT 2395 2380 END