USER MOD reduce.3.24.130724 H: found=0, std=0, add=2129, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 2119 hydrogens (0 hets) HEADER METHYLTRANSFERASE 04-MAR-97 1YUB TITLE SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE (ERMAM) TITLE 2 THAT CONFERS MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN TITLE 3 ANTIBIOTIC RESISTANCE, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: RRNA METHYLTRANSFERASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ERMAM; COMPND 5 EC: 2.1.1.48; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; SOURCE 3 ORGANISM_TAXID: 1313; SOURCE 4 STRAIN: 5728, A CLINICAL ISOLATE FROM ABBOTT CULTURE SOURCE 5 COLLECTION; SOURCE 6 CELL_LINE: BL21; SOURCE 7 GENE: ERM; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PET-24(+); SOURCE 2 EXPRESSION_SYSTEM_GENE: ERM KEYWDS METHYLTRANSFERASE, ERM, ERMAM, MLS ANTIBIOTICS, NMR, RRNA EXPDTA SOLUTION NMR AUTHOR L.YU,A.M.PETROS,A.SCHNUCHEL,P.ZHONG,J.M.SEVERIN,K.WALTER, AUTHOR 2 T.F.HOLZMAN,S.W.FESIK REVDAT 2 24-FEB-09 1YUB 1 VERSN REVDAT 1 04-MAR-98 1YUB 0 JRNL AUTH L.YU,A.M.PETROS,A.SCHNUCHEL,P.ZHONG,J.M.SEVERIN, JRNL AUTH 2 K.WALTER,T.F.HOLZMAN,S.W.FESIK JRNL TITL SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE JRNL TITL 2 (ERMAM) THAT CONFERS JRNL TITL 3 MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC JRNL TITL 4 RESISTANCE. JRNL REF NAT.STRUCT.BIOL. V. 4 483 1997 JRNL REFN ISSN 1072-8368 JRNL PMID 9187657 JRNL DOI 10.1038/NSB0697-483 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH L.YU,A.M.PETROS,A.SCHNUCHEL,P.ZHONG,J.M.SEVERIN, REMARK 1 AUTH 2 K.WALTER,T.F.HOLZMAN,S.W.FESIK REMARK 1 TITL ERRATUM. SOLUTION STRUCTURE OF AN RRNA REMARK 1 TITL 2 METHYLTRANSFERASE (ERMAM) THAT CONFERS REMARK 1 TITL 3 MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC REMARK 1 TITL 4 RESISTANCE REMARK 1 REF NAT.STRUCT.BIOL. V. 4 592 1997 REMARK 1 REFN ISSN 1072-8368 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE TOTAL NUMBER OF DISTANCE REMARK 3 RESTRAINTS USED WAS 3259. THE TOTAL NUMBER OF TORSIONAL REMARK 3 RESTRAINTS USED WAS 63. REMARK 4 REMARK 4 1YUB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 50 MM SODIUM PHOSPHATE, 100 REMARK 210 MM NACL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D, 3D, 4D NMR REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, AMX600, DRX800 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DG/SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 17 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY AND LEAST REMARK 210 RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 3 -148.79 40.56 REMARK 500 ASN A 4 62.99 175.11 REMARK 500 LYS A 6 50.43 -115.45 REMARK 500 TYR A 7 -157.04 -125.86 REMARK 500 THR A 13 43.29 24.93 REMARK 500 ASN A 26 96.32 46.43 REMARK 500 LYS A 28 -74.44 -92.00 REMARK 500 GLU A 29 -35.37 169.85 REMARK 500 THR A 32 172.81 -43.58 REMARK 500 THR A 38 -150.32 -115.88 REMARK 500 HIS A 42 67.12 -179.35 REMARK 500 LEU A 43 -174.36 170.01 REMARK 500 THR A 44 -74.30 79.37 REMARK 500 LEU A 59 156.58 58.20 REMARK 500 LEU A 63 -71.28 81.09 REMARK 500 SER A 67 88.57 -54.27 REMARK 500 SER A 68 96.42 39.49 REMARK 500 LEU A 71 33.92 -81.47 REMARK 500 LEU A 73 65.89 35.69 REMARK 500 ASN A 74 31.68 -152.58 REMARK 500 THR A 75 -129.28 -114.53 REMARK 500 ARG A 76 79.64 -107.68 REMARK 500 GLN A 82 -154.97 78.55 REMARK 500 ASP A 83 139.94 -31.88 REMARK 500 ILE A 84 -108.31 -140.50 REMARK 500 LEU A 85 -83.84 45.88 REMARK 500 PHE A 89 97.68 -39.04 REMARK 500 PRO A 90 -159.76 -85.42 REMARK 500 LYS A 92 146.28 76.17 REMARK 500 GLN A 93 -168.77 80.27 REMARK 500 TYR A 103 4.24 81.02 REMARK 500 LEU A 105 133.30 169.95 REMARK 500 SER A 106 -40.60 179.78 REMARK 500 GLU A 116 -6.59 -141.48 REMARK 500 SER A 120 -47.93 83.45 REMARK 500 GLU A 128 -84.38 164.07 REMARK 500 THR A 134 -63.24 -93.66 REMARK 500 THR A 140 -5.52 71.03 REMARK 500 LEU A 154 -66.89 -121.53 REMARK 500 ALA A 159 43.11 81.41 REMARK 500 PRO A 166 -171.15 -48.89 REMARK 500 LYS A 167 -43.02 -156.09 REMARK 500 ARG A 177 101.54 -56.57 REMARK 500 HIS A 178 -166.71 -107.04 REMARK 500 THR A 179 -82.50 -57.44 REMARK 500 THR A 180 128.37 -178.95 REMARK 500 ASP A 184 -34.27 -39.82 REMARK 500 VAL A 198 -68.75 -100.72 REMARK 500 ASN A 199 -72.48 -43.95 REMARK 500 ARG A 200 35.61 171.44 REMARK 500 GLU A 201 46.92 -92.26 REMARK 500 LYS A 208 52.60 -175.56 REMARK 500 VAL A 220 55.30 -98.93 REMARK 500 ILE A 226 142.08 -38.48 REMARK 500 TYR A 228 -23.41 157.51 REMARK 500 ASN A 242 -86.25 -81.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 76 0.30 SIDE_CHAIN REMARK 500 ARG A 94 0.11 SIDE_CHAIN REMARK 500 ARG A 118 0.28 SIDE_CHAIN REMARK 500 ARG A 133 0.32 SIDE_CHAIN REMARK 500 ARG A 139 0.15 SIDE_CHAIN REMARK 500 ARG A 177 0.30 SIDE_CHAIN REMARK 500 ARG A 200 0.20 SIDE_CHAIN REMARK 500 ARG A 203 0.20 SIDE_CHAIN REMARK 500 ARG A 244 0.27 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1YUB A 1 245 UNP P21236 ERM_STRPN 1 245 SEQRES 1 A 245 MET ASN LYS ASN ILE LYS TYR SER GLN ASN PHE LEU THR SEQRES 2 A 245 SER GLU LYS VAL LEU ASN GLN ILE ILE LYS GLN LEU ASN SEQRES 3 A 245 LEU LYS GLU THR ASP THR VAL TYR GLU ILE GLY THR GLY SEQRES 4 A 245 LYS GLY HIS LEU THR THR LYS LEU ALA LYS ILE SER LYS SEQRES 5 A 245 GLN VAL THR SER ILE GLU LEU ASP SER HIS LEU PHE ASN SEQRES 6 A 245 LEU SER SER GLU LYS LEU LYS LEU ASN THR ARG VAL THR SEQRES 7 A 245 LEU ILE HIS GLN ASP ILE LEU GLN PHE GLN PHE PRO ASN SEQRES 8 A 245 LYS GLN ARG TYR LYS ILE VAL GLY ASN ILE PRO TYR HIS SEQRES 9 A 245 LEU SER THR GLN ILE ILE LYS LYS VAL VAL PHE GLU SER SEQRES 10 A 245 ARG ALA SER ASP ILE TYR LEU ILE VAL GLU GLU GLY PHE SEQRES 11 A 245 TYR LYS ARG THR LEU ASP ILE HIS ARG THR LEU GLY LEU SEQRES 12 A 245 LEU LEU HIS THR GLN VAL SER ILE GLN GLN LEU LEU LYS SEQRES 13 A 245 LEU PRO ALA GLU CYS PHE HIS PRO LYS PRO LYS VAL ASN SEQRES 14 A 245 SER VAL LEU ILE LYS LEU THR ARG HIS THR THR ASP VAL SEQRES 15 A 245 PRO ASP LYS TYR TRP LYS LEU TYR THR TYR PHE VAL SER SEQRES 16 A 245 LYS TRP VAL ASN ARG GLU TYR ARG GLN LEU PHE THR LYS SEQRES 17 A 245 ASN GLN PHE HIS GLN ALA MET LYS HIS ALA LYS VAL ASN SEQRES 18 A 245 ASN LEU SER THR ILE THR TYR GLU GLN VAL LEU SER ILE SEQRES 19 A 245 PHE ASN SER TYR LEU LEU PHE ASN GLY ARG LYS HELIX 1 H1 LYS A 16 LEU A 25 1 10 HELIX 2 H2 LEU A 43 ILE A 50 1 8 HELIX 3 H3 HIS A 62 ASN A 65 1 4 HELIX 4 H4 LEU A 85 GLN A 88 1 4 HELIX 5 H5 SER A 106 GLU A 116 1 11 HELIX 6 H6 GLY A 129 ASP A 136 1 8 HELIX 7 H7 THR A 140 HIS A 146 1 7 HELIX 8 H8 TYR A 186 ASN A 199 1 14 HELIX 9 H9 TYR A 202 LEU A 205 1 4 HELIX 10 H10 GLN A 210 ALA A 218 1 9 HELIX 11 H11 TYR A 228 PHE A 241 1 14 SHEET 1 SH1 7 ARG A 76 ILE A 80 0 SHEET 2 SH1 7 GLN A 53 ILE A 57 1 N SER A 56 O THR A 78 SHEET 3 SH1 7 THR A 32 ILE A 36 1 N VAL A 33 O GLN A 53 SHEET 4 SH1 7 TYR A 95 ASN A 100 1 N VAL A 98 O TYR A 34 SHEET 5 SH1 7 SER A 120 GLU A 127 1 N TYR A 123 O ILE A 97 SHEET 6 SH1 7 SER A 170 ARG A 177 -1 N ILE A 173 O LEU A 124 SHEET 7 SH1 7 VAL A 149 LYS A 156 -1 N GLN A 152 O LYS A 174 SHEET 1 SH2 2 PHE A 11 THR A 13 0 SHEET 2 SH2 2 CYS A 161 HIS A 163 -1 O HIS A 163 N PHE A 11 CISPEP 1 HIS A 163 PRO A 164 0 -0.16 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 GLN : amide:sc= -0.112 X(o=-0.24,f=0.058) USER MOD Set 1.2: A 112 LYS NZ :NH3+ 155:sc= -0.128 (180deg=0) USER MOD Set 2.1: A 44 THR OG1 : rot 152:sc= 0.943 USER MOD Set 2.2: A 56 SER OG : rot 70:sc= 0.0928 USER MOD Set 2.3: A 62 HIS : no HE2:sc= -7.36! C(o=-6.3!,f=-13!) USER MOD Set 3.1: A 32 THR OG1 : rot -76:sc= 0.0307 USER MOD Set 3.2: A 53 GLN :FLIP amide:sc= -2! C(o=-4!,f=-2.7!) USER MOD Set 3.3: A 93 GLN :FLIP amide:sc= -0.717 X(o=-3,f=-2.7) USER MOD Set 4.1: A 34 TYR OH : rot 80:sc= 0.4 USER MOD Set 4.2: A 88 GLN : amide:sc= -10.1! C(o=-9.7!,f=-15!) USER MOD Set 5.1: A 16 LYS NZ :NH3+ 145:sc= 0.29 (180deg=0) USER MOD Set 5.2: A 161 CYS SG : rot 80:sc= -6.98! USER MOD Single : A 1 MET CE :methyl -157:sc= -0.283 (180deg=-0.551) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.0312 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.403 K(o=-0.4,f=-2.1!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.09! C(o=-2.1!,f=-5.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 53:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.131 F(o=-0.84,f=-0.13) USER MOD Single : A 13 THR OG1 : rot -58:sc= 1.01 USER MOD Single : A 14 SER OG : rot -54:sc= -2.14! USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -5.46 K(o=-5.5,f=-11!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.36) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0987 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-3.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.0645 (180deg=-0.879) USER MOD Single : A 51 SER OG : rot 141:sc= 1.16 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.452 (180deg=-2.19!) USER MOD Single : A 55 THR OG1 : rot 20:sc= 0.783 USER MOD Single : A 61 SER OG : rot 180:sc= -2.49! USER MOD Single : A 65 ASN : amide:sc= -0.031 K(o=-0.031,f=-1.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= -0.0845 (180deg=-0.551) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 133:sc= -0.0336 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.8) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot -127:sc= -2.84! USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= -0.993 (180deg=-2.55!) USER MOD Single : A 100 ASN : amide:sc= 0.0428 K(o=0.043,f=-1.5!) USER MOD Single : A 103 TYR OH : rot 180:sc= -1.54 USER MOD Single : A 104 HIS :FLIP no HE2:sc= -5.99! C(o=-8.4!,f=-6!) USER MOD Single : A 106 SER OG : rot 41:sc= -1.27 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -175:sc= -4.7! (180deg=-4.78!) USER MOD Single : A 117 SER OG : rot -160:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.53 USER MOD Single : A 131 TYR OH : rot 180:sc= -0.787 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 66:sc= 1.22 USER MOD Single : A 138 HIS : no HE2:sc= -11.5! C(o=-12!,f=-14!) USER MOD Single : A 140 THR OG1 : rot -62:sc= 0.529 USER MOD Single : A 146 HIS : no HE2:sc= -17.6! C(o=-18!,f=-24!) USER MOD Single : A 147 THR OG1 : rot 128:sc= -0.516! USER MOD Single : A 148 GLN :FLIP amide:sc= -4.97! C(o=-6!,f=-5!) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 GLN : amide:sc= -6.35! C(o=-6.4!,f=-13!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.11) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 ASN :FLIP amide:sc= 0.0678 F(o=-0.67,f=0.068) USER MOD Single : A 170 SER OG : rot 21:sc= 0.0263 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 THR OG1 : rot 89:sc= 0.00116 USER MOD Single : A 178 HIS : no HD1:sc= -0.91 X(o=-0.91,f=-0.91) USER MOD Single : A 179 THR OG1 : rot -71:sc= 0.144 USER MOD Single : A 180 THR OG1 : rot 64:sc= -0.696 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -135:sc= 1.19 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 TYR OH : rot -20:sc= -7.41! USER MOD Single : A 191 THR OG1 : rot 40:sc= 0.08 USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 199 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 TYR OH : rot 180:sc= -0.384 USER MOD Single : A 204 GLN : amide:sc= -4.31! C(o=-4.3!,f=-6.3!) USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 210 GLN : amide:sc= -3.02 K(o=-3,f=-5.4!) USER MOD Single : A 212 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 213 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.1!) USER MOD Single : A 215 MET CE :methyl 156:sc= -1.69 (180deg=-3.21!) USER MOD Single : A 216 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 HIS :FLIP no HE2:sc= 0.127 F(o=-0.48,f=0.13) USER MOD Single : A 219 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 221 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 222 ASN : amide:sc=-0.00452 X(o=-0.0045,f=-0.13) USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 THR OG1 : rot 180:sc= 0 USER MOD Single : A 227 THR OG1 : rot 180:sc= -0.0648 USER MOD Single : A 228 TYR OH : rot -99:sc= -6.69! USER MOD Single : A 230 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.2!) USER MOD Single : A 233 SER OG : rot 180:sc= 0 USER MOD Single : A 236 ASN : amide:sc= -0.293 K(o=-0.29,f=-3.4!) USER MOD Single : A 237 SER OG : rot -78:sc= 1.04 USER MOD Single : A 238 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 ASN : amide:sc= -0.884 K(o=-0.88,f=-2.2!) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.916 38.153 0.037 1.00 9.98 N ATOM 2 CA MET A 1 -20.561 39.285 0.760 1.00 10.06 C ATOM 3 C MET A 1 -20.855 38.861 2.202 1.00 9.81 C ATOM 4 O MET A 1 -20.089 38.140 2.810 1.00 10.08 O ATOM 5 CB MET A 1 -21.867 39.660 0.053 1.00 10.25 C ATOM 6 CG MET A 1 -22.101 41.166 0.179 1.00 10.80 C ATOM 7 SD MET A 1 -21.465 41.746 1.772 1.00 11.22 S ATOM 8 CE MET A 1 -20.133 42.784 1.120 1.00 11.86 C ATOM 0 H1 MET A 1 -19.127 38.512 -0.537 1.00 9.98 H new ATOM 0 H2 MET A 1 -19.557 37.461 0.725 1.00 9.98 H new ATOM 0 H3 MET A 1 -20.614 37.694 -0.583 1.00 9.98 H new ATOM 0 HA MET A 1 -19.895 40.148 0.766 1.00 10.06 H new ATOM 0 HB2 MET A 1 -21.819 39.375 -0.998 1.00 10.25 H new ATOM 0 HB3 MET A 1 -22.701 39.114 0.493 1.00 10.25 H new ATOM 0 HG2 MET A 1 -21.603 41.691 -0.636 1.00 10.80 H new ATOM 0 HG3 MET A 1 -23.165 41.387 0.098 1.00 10.80 H new ATOM 0 HE1 MET A 1 -19.367 42.916 1.885 1.00 11.86 H new ATOM 0 HE2 MET A 1 -19.693 42.305 0.245 1.00 11.86 H new ATOM 0 HE3 MET A 1 -20.535 43.757 0.837 1.00 11.86 H new ATOM 20 N ASN A 2 -21.955 39.300 2.756 1.00 9.52 N ATOM 21 CA ASN A 2 -22.287 38.916 4.157 1.00 9.47 C ATOM 22 C ASN A 2 -22.003 37.426 4.353 1.00 8.89 C ATOM 23 O ASN A 2 -21.662 36.987 5.434 1.00 8.70 O ATOM 24 CB ASN A 2 -23.767 39.195 4.426 1.00 9.73 C ATOM 25 CG ASN A 2 -23.902 40.085 5.662 1.00 10.18 C ATOM 26 OD1 ASN A 2 -23.011 40.852 5.972 1.00 10.27 O ATOM 27 ND2 ASN A 2 -24.984 40.016 6.386 1.00 10.70 N ATOM 0 H ASN A 2 -22.636 39.907 2.299 1.00 9.52 H new ATOM 0 HA ASN A 2 -21.679 39.498 4.850 1.00 9.47 H new ATOM 0 HB2 ASN A 2 -24.219 39.683 3.562 1.00 9.73 H new ATOM 0 HB3 ASN A 2 -24.303 38.258 4.579 1.00 9.73 H new ATOM 0 HD21 ASN A 2 -25.083 40.605 7.212 1.00 10.70 H new ATOM 0 HD22 ASN A 2 -25.731 39.373 6.126 1.00 10.70 H new ATOM 34 N LYS A 3 -22.138 36.648 3.311 1.00 8.85 N ATOM 35 CA LYS A 3 -21.874 35.184 3.422 1.00 8.53 C ATOM 36 C LYS A 3 -22.434 34.652 4.743 1.00 8.22 C ATOM 37 O LYS A 3 -23.420 35.144 5.254 1.00 8.54 O ATOM 38 CB LYS A 3 -20.364 34.937 3.370 1.00 8.74 C ATOM 39 CG LYS A 3 -19.708 35.513 4.627 1.00 9.08 C ATOM 40 CD LYS A 3 -18.238 35.092 4.675 1.00 9.34 C ATOM 41 CE LYS A 3 -17.382 36.278 5.123 1.00 9.62 C ATOM 42 NZ LYS A 3 -16.438 36.650 4.031 1.00 9.85 N ATOM 0 H LYS A 3 -22.421 36.966 2.384 1.00 8.85 H new ATOM 0 HA LYS A 3 -22.360 34.666 2.595 1.00 8.53 H new ATOM 0 HB2 LYS A 3 -20.162 33.868 3.299 1.00 8.74 H new ATOM 0 HB3 LYS A 3 -19.939 35.402 2.480 1.00 8.74 H new ATOM 0 HG2 LYS A 3 -19.786 36.600 4.625 1.00 9.08 H new ATOM 0 HG3 LYS A 3 -20.228 35.158 5.517 1.00 9.08 H new ATOM 0 HD2 LYS A 3 -18.110 34.257 5.364 1.00 9.34 H new ATOM 0 HD3 LYS A 3 -17.915 34.747 3.693 1.00 9.34 H new ATOM 0 HE2 LYS A 3 -18.019 37.127 5.372 1.00 9.62 H new ATOM 0 HE3 LYS A 3 -16.828 36.020 6.025 1.00 9.62 H new ATOM 0 HZ1 LYS A 3 -15.856 37.456 4.335 1.00 9.85 H new ATOM 0 HZ2 LYS A 3 -15.822 35.841 3.814 1.00 9.85 H new ATOM 0 HZ3 LYS A 3 -16.977 36.913 3.181 1.00 9.85 H new ATOM 56 N ASN A 4 -21.811 33.648 5.299 1.00 7.84 N ATOM 57 CA ASN A 4 -22.305 33.084 6.586 1.00 7.75 C ATOM 58 C ASN A 4 -21.478 31.851 6.953 1.00 7.24 C ATOM 59 O ASN A 4 -21.988 30.751 7.032 1.00 7.35 O ATOM 60 CB ASN A 4 -23.775 32.686 6.437 1.00 8.28 C ATOM 61 CG ASN A 4 -24.654 33.713 7.154 1.00 8.98 C ATOM 62 OD1 ASN A 4 -24.170 34.498 7.945 1.00 9.28 O ATOM 63 ND2 ASN A 4 -25.935 33.741 6.910 1.00 9.49 N ATOM 0 H ASN A 4 -20.981 33.195 4.917 1.00 7.84 H new ATOM 0 HA ASN A 4 -22.209 33.833 7.372 1.00 7.75 H new ATOM 0 HB2 ASN A 4 -24.044 32.634 5.382 1.00 8.28 H new ATOM 0 HB3 ASN A 4 -23.939 31.694 6.857 1.00 8.28 H new ATOM 0 HD21 ASN A 4 -26.530 34.422 7.383 1.00 9.49 H new ATOM 0 HD22 ASN A 4 -26.342 33.082 6.246 1.00 9.49 H new ATOM 70 N ILE A 5 -20.203 32.025 7.177 1.00 6.97 N ATOM 71 CA ILE A 5 -19.346 30.863 7.539 1.00 6.72 C ATOM 72 C ILE A 5 -18.431 31.247 8.702 1.00 6.31 C ATOM 73 O ILE A 5 -17.234 31.041 8.663 1.00 6.27 O ATOM 74 CB ILE A 5 -18.503 30.455 6.328 1.00 7.11 C ATOM 75 CG1 ILE A 5 -19.428 30.160 5.143 1.00 7.50 C ATOM 76 CG2 ILE A 5 -17.694 29.202 6.664 1.00 7.55 C ATOM 77 CD1 ILE A 5 -20.307 28.949 5.466 1.00 7.48 C ATOM 0 H ILE A 5 -19.720 32.922 7.125 1.00 6.97 H new ATOM 0 HA ILE A 5 -19.974 30.024 7.839 1.00 6.72 H new ATOM 0 HB ILE A 5 -17.823 31.266 6.070 1.00 7.11 H new ATOM 0 HG12 ILE A 5 -20.052 31.028 4.931 1.00 7.50 H new ATOM 0 HG13 ILE A 5 -18.838 29.965 4.248 1.00 7.50 H new ATOM 0 HG21 ILE A 5 -17.095 28.913 5.800 1.00 7.55 H new ATOM 0 HG22 ILE A 5 -17.037 29.409 7.509 1.00 7.55 H new ATOM 0 HG23 ILE A 5 -18.373 28.389 6.923 1.00 7.55 H new ATOM 0 HD11 ILE A 5 -20.964 28.741 4.622 1.00 7.48 H new ATOM 0 HD12 ILE A 5 -19.675 28.081 5.657 1.00 7.48 H new ATOM 0 HD13 ILE A 5 -20.908 29.161 6.350 1.00 7.48 H new ATOM 89 N LYS A 6 -18.991 31.804 9.741 1.00 6.28 N ATOM 90 CA LYS A 6 -18.166 32.205 10.915 1.00 6.26 C ATOM 91 C LYS A 6 -18.584 31.371 12.127 1.00 6.35 C ATOM 92 O LYS A 6 -18.855 31.894 13.189 1.00 6.74 O ATOM 93 CB LYS A 6 -18.390 33.690 11.211 1.00 6.63 C ATOM 94 CG LYS A 6 -19.868 33.931 11.525 1.00 6.69 C ATOM 95 CD LYS A 6 -20.357 35.167 10.766 1.00 6.86 C ATOM 96 CE LYS A 6 -20.108 36.417 11.611 1.00 7.53 C ATOM 97 NZ LYS A 6 -21.273 37.340 11.491 1.00 8.11 N ATOM 0 H LYS A 6 -19.988 31.999 9.827 1.00 6.28 H new ATOM 0 HA LYS A 6 -17.111 32.036 10.701 1.00 6.26 H new ATOM 0 HB2 LYS A 6 -17.773 34.001 12.054 1.00 6.63 H new ATOM 0 HB3 LYS A 6 -18.086 34.292 10.355 1.00 6.63 H new ATOM 0 HG2 LYS A 6 -20.458 33.060 11.240 1.00 6.69 H new ATOM 0 HG3 LYS A 6 -20.005 34.072 12.597 1.00 6.69 H new ATOM 0 HD2 LYS A 6 -19.836 35.250 9.812 1.00 6.86 H new ATOM 0 HD3 LYS A 6 -21.420 35.072 10.542 1.00 6.86 H new ATOM 0 HE2 LYS A 6 -19.957 36.139 12.654 1.00 7.53 H new ATOM 0 HE3 LYS A 6 -19.198 36.918 11.279 1.00 7.53 H new ATOM 0 HZ1 LYS A 6 -21.103 38.190 12.066 1.00 8.11 H new ATOM 0 HZ2 LYS A 6 -21.397 37.614 10.496 1.00 8.11 H new ATOM 0 HZ3 LYS A 6 -22.132 36.860 11.828 1.00 8.11 H new ATOM 111 N TYR A 7 -18.642 30.077 11.972 1.00 6.25 N ATOM 112 CA TYR A 7 -19.048 29.206 13.113 1.00 6.59 C ATOM 113 C TYR A 7 -17.981 28.132 13.348 1.00 6.29 C ATOM 114 O TYR A 7 -16.835 28.288 12.977 1.00 6.45 O ATOM 115 CB TYR A 7 -20.385 28.533 12.788 1.00 7.00 C ATOM 116 CG TYR A 7 -21.213 29.444 11.911 1.00 7.00 C ATOM 117 CD1 TYR A 7 -21.517 30.743 12.340 1.00 7.42 C ATOM 118 CD2 TYR A 7 -21.676 28.991 10.668 1.00 6.92 C ATOM 119 CE1 TYR A 7 -22.283 31.588 11.527 1.00 7.70 C ATOM 120 CE2 TYR A 7 -22.442 29.836 9.855 1.00 7.27 C ATOM 121 CZ TYR A 7 -22.746 31.135 10.284 1.00 7.62 C ATOM 122 OH TYR A 7 -23.501 31.968 9.484 1.00 8.19 O ATOM 0 H TYR A 7 -18.426 29.584 11.105 1.00 6.25 H new ATOM 0 HA TYR A 7 -19.152 29.813 14.012 1.00 6.59 H new ATOM 0 HB2 TYR A 7 -20.212 27.583 12.282 1.00 7.00 H new ATOM 0 HB3 TYR A 7 -20.924 28.310 13.709 1.00 7.00 H new ATOM 0 HD1 TYR A 7 -21.161 31.093 13.298 1.00 7.42 H new ATOM 0 HD2 TYR A 7 -21.442 27.990 10.337 1.00 6.92 H new ATOM 0 HE1 TYR A 7 -22.517 32.589 11.858 1.00 7.70 H new ATOM 0 HE2 TYR A 7 -22.798 29.486 8.897 1.00 7.27 H new ATOM 0 HH TYR A 7 -23.026 32.815 9.353 1.00 8.19 H new ATOM 132 N SER A 8 -18.353 27.041 13.962 1.00 6.01 N ATOM 133 CA SER A 8 -17.368 25.954 14.223 1.00 5.82 C ATOM 134 C SER A 8 -17.927 24.632 13.693 1.00 5.39 C ATOM 135 O SER A 8 -18.309 23.759 14.447 1.00 5.55 O ATOM 136 CB SER A 8 -17.122 25.838 15.728 1.00 6.32 C ATOM 137 OG SER A 8 -15.868 26.426 16.045 1.00 6.77 O ATOM 0 H SER A 8 -19.299 26.856 14.295 1.00 6.01 H new ATOM 0 HA SER A 8 -16.428 26.182 13.721 1.00 5.82 H new ATOM 0 HB2 SER A 8 -17.920 26.337 16.278 1.00 6.32 H new ATOM 0 HB3 SER A 8 -17.133 24.791 16.030 1.00 6.32 H new ATOM 0 HG SER A 8 -15.708 26.355 17.009 1.00 6.77 H new ATOM 143 N GLN A 9 -17.980 24.480 12.398 1.00 5.05 N ATOM 144 CA GLN A 9 -18.517 23.220 11.813 1.00 4.81 C ATOM 145 C GLN A 9 -17.478 22.612 10.868 1.00 4.25 C ATOM 146 O GLN A 9 -16.762 23.315 10.184 1.00 4.05 O ATOM 147 CB GLN A 9 -19.791 23.535 11.030 1.00 5.21 C ATOM 148 CG GLN A 9 -19.604 24.852 10.274 1.00 5.86 C ATOM 149 CD GLN A 9 -20.755 25.045 9.285 1.00 6.52 C ATOM 150 OE1 GLN A 9 -21.831 24.516 9.477 1.00 6.76 O ATOM 151 NE2 GLN A 9 -20.571 25.787 8.227 1.00 7.11 N ATOM 0 H GLN A 9 -17.674 25.176 11.719 1.00 5.05 H new ATOM 0 HA GLN A 9 -18.740 22.511 12.611 1.00 4.81 H new ATOM 0 HB2 GLN A 9 -20.011 22.728 10.331 1.00 5.21 H new ATOM 0 HB3 GLN A 9 -20.641 23.609 11.709 1.00 5.21 H new ATOM 0 HG2 GLN A 9 -19.572 25.685 10.977 1.00 5.86 H new ATOM 0 HG3 GLN A 9 -18.652 24.846 9.743 1.00 5.86 H new ATOM 0 HE21 GLN A 9 -19.667 26.231 8.066 1.00 7.11 H new ATOM 0 HE22 GLN A 9 -21.331 25.923 7.561 1.00 7.11 H new ATOM 160 N ASN A 10 -17.390 21.310 10.822 1.00 4.11 N ATOM 161 CA ASN A 10 -16.397 20.664 9.918 1.00 3.67 C ATOM 162 C ASN A 10 -16.975 19.360 9.366 1.00 3.62 C ATOM 163 O ASN A 10 -17.516 18.552 10.095 1.00 3.97 O ATOM 164 CB ASN A 10 -15.114 20.361 10.697 1.00 3.79 C ATOM 165 CG ASN A 10 -15.472 19.774 12.064 1.00 3.97 C ATOM 166 OD1 ASN A 10 -15.118 20.412 13.146 1.00 4.10 O flip ATOM 167 ND2 ASN A 10 -16.080 18.726 12.148 1.00 4.50 N flip ATOM 0 H ASN A 10 -17.962 20.667 11.370 1.00 4.11 H new ATOM 0 HA ASN A 10 -16.171 21.339 9.093 1.00 3.67 H new ATOM 0 HB2 ASN A 10 -14.495 19.659 10.139 1.00 3.79 H new ATOM 0 HB3 ASN A 10 -14.529 21.272 10.823 1.00 3.79 H new ATOM 0 HD21 ASN A 10 -16.357 18.228 11.302 1.00 4.50 H new ATOM 0 HD22 ASN A 10 -16.314 18.344 13.064 1.00 4.50 H new ATOM 174 N PHE A 11 -16.864 19.149 8.083 1.00 3.31 N ATOM 175 CA PHE A 11 -17.404 17.898 7.482 1.00 3.40 C ATOM 176 C PHE A 11 -16.452 17.405 6.389 1.00 3.05 C ATOM 177 O PHE A 11 -15.744 18.177 5.774 1.00 2.80 O ATOM 178 CB PHE A 11 -18.780 18.173 6.872 1.00 3.84 C ATOM 179 CG PHE A 11 -19.558 19.103 7.772 1.00 4.14 C ATOM 180 CD1 PHE A 11 -20.127 18.616 8.957 1.00 4.33 C ATOM 181 CD2 PHE A 11 -19.712 20.451 7.423 1.00 4.67 C ATOM 182 CE1 PHE A 11 -20.851 19.478 9.791 1.00 4.91 C ATOM 183 CE2 PHE A 11 -20.436 21.312 8.258 1.00 5.14 C ATOM 184 CZ PHE A 11 -21.006 20.826 9.442 1.00 5.20 C ATOM 0 H PHE A 11 -16.422 19.790 7.425 1.00 3.31 H new ATOM 0 HA PHE A 11 -17.497 17.136 8.256 1.00 3.40 H new ATOM 0 HB2 PHE A 11 -18.668 18.617 5.883 1.00 3.84 H new ATOM 0 HB3 PHE A 11 -19.324 17.238 6.741 1.00 3.84 H new ATOM 0 HD1 PHE A 11 -20.007 17.577 9.227 1.00 4.33 H new ATOM 0 HD2 PHE A 11 -19.273 20.826 6.511 1.00 4.67 H new ATOM 0 HE1 PHE A 11 -21.290 19.103 10.704 1.00 4.91 H new ATOM 0 HE2 PHE A 11 -20.555 22.351 7.989 1.00 5.14 H new ATOM 0 HZ PHE A 11 -21.564 21.490 10.085 1.00 5.20 H new ATOM 194 N LEU A 12 -16.433 16.124 6.143 1.00 3.14 N ATOM 195 CA LEU A 12 -15.530 15.577 5.091 1.00 2.87 C ATOM 196 C LEU A 12 -16.139 15.838 3.713 1.00 2.99 C ATOM 197 O LEU A 12 -15.434 16.016 2.743 1.00 3.25 O ATOM 198 CB LEU A 12 -15.374 14.069 5.296 1.00 3.07 C ATOM 199 CG LEU A 12 -13.895 13.695 5.233 1.00 2.68 C ATOM 200 CD1 LEU A 12 -13.603 12.592 6.252 1.00 2.94 C ATOM 201 CD2 LEU A 12 -13.554 13.193 3.828 1.00 2.39 C ATOM 0 H LEU A 12 -17.005 15.431 6.626 1.00 3.14 H new ATOM 0 HA LEU A 12 -14.556 16.061 5.157 1.00 2.87 H new ATOM 0 HB2 LEU A 12 -15.793 13.777 6.259 1.00 3.07 H new ATOM 0 HB3 LEU A 12 -15.929 13.528 4.530 1.00 3.07 H new ATOM 0 HG LEU A 12 -13.290 14.572 5.463 1.00 2.68 H new ATOM 0 HD11 LEU A 12 -12.547 12.325 6.207 1.00 2.94 H new ATOM 0 HD12 LEU A 12 -13.845 12.948 7.253 1.00 2.94 H new ATOM 0 HD13 LEU A 12 -14.209 11.715 6.023 1.00 2.94 H new ATOM 0 HD21 LEU A 12 -12.498 12.926 3.783 1.00 2.39 H new ATOM 0 HD22 LEU A 12 -14.160 12.317 3.598 1.00 2.39 H new ATOM 0 HD23 LEU A 12 -13.761 13.978 3.101 1.00 2.39 H new ATOM 213 N THR A 13 -17.448 15.856 3.646 1.00 3.21 N ATOM 214 CA THR A 13 -18.174 16.100 2.355 1.00 3.45 C ATOM 215 C THR A 13 -17.307 15.707 1.153 1.00 3.19 C ATOM 216 O THR A 13 -17.243 16.415 0.167 1.00 2.98 O ATOM 217 CB THR A 13 -18.558 17.580 2.252 1.00 3.60 C ATOM 218 OG1 THR A 13 -18.906 17.884 0.908 1.00 3.66 O ATOM 219 CG2 THR A 13 -17.380 18.453 2.684 1.00 3.20 C ATOM 0 H THR A 13 -18.059 15.709 4.449 1.00 3.21 H new ATOM 0 HA THR A 13 -19.073 15.484 2.345 1.00 3.45 H new ATOM 0 HB THR A 13 -19.408 17.778 2.905 1.00 3.60 H new ATOM 0 HG1 THR A 13 -18.150 17.678 0.320 1.00 3.66 H new ATOM 0 HG21 THR A 13 -17.659 19.504 2.609 1.00 3.20 H new ATOM 0 HG22 THR A 13 -17.114 18.221 3.715 1.00 3.20 H new ATOM 0 HG23 THR A 13 -16.525 18.257 2.036 1.00 3.20 H new ATOM 227 N SER A 14 -16.640 14.586 1.227 1.00 3.59 N ATOM 228 CA SER A 14 -15.778 14.153 0.087 1.00 3.43 C ATOM 229 C SER A 14 -16.302 12.833 -0.477 1.00 2.94 C ATOM 230 O SER A 14 -15.541 11.979 -0.885 1.00 3.03 O ATOM 231 CB SER A 14 -14.342 13.954 0.573 1.00 3.85 C ATOM 232 OG SER A 14 -13.508 13.652 -0.537 1.00 4.83 O ATOM 0 H SER A 14 -16.654 13.952 2.026 1.00 3.59 H new ATOM 0 HA SER A 14 -15.799 14.919 -0.688 1.00 3.43 H new ATOM 0 HB2 SER A 14 -13.988 14.855 1.074 1.00 3.85 H new ATOM 0 HB3 SER A 14 -14.302 13.146 1.303 1.00 3.85 H new ATOM 0 HG SER A 14 -13.880 12.890 -1.028 1.00 4.83 H new ATOM 238 N GLU A 15 -17.592 12.657 -0.505 1.00 2.71 N ATOM 239 CA GLU A 15 -18.154 11.389 -1.044 1.00 2.37 C ATOM 240 C GLU A 15 -17.888 11.314 -2.549 1.00 1.89 C ATOM 241 O GLU A 15 -18.055 10.285 -3.169 1.00 2.69 O ATOM 242 CB GLU A 15 -19.661 11.352 -0.788 1.00 2.49 C ATOM 243 CG GLU A 15 -19.948 10.512 0.458 1.00 2.75 C ATOM 244 CD GLU A 15 -21.326 9.862 0.330 1.00 2.96 C ATOM 245 OE1 GLU A 15 -22.293 10.591 0.183 1.00 3.51 O ATOM 246 OE2 GLU A 15 -21.393 8.644 0.383 1.00 3.15 O ATOM 0 H GLU A 15 -18.281 13.335 -0.179 1.00 2.71 H new ATOM 0 HA GLU A 15 -17.681 10.540 -0.550 1.00 2.37 H new ATOM 0 HB2 GLU A 15 -20.042 12.364 -0.653 1.00 2.49 H new ATOM 0 HB3 GLU A 15 -20.177 10.930 -1.651 1.00 2.49 H new ATOM 0 HG2 GLU A 15 -19.182 9.745 0.577 1.00 2.75 H new ATOM 0 HG3 GLU A 15 -19.912 11.139 1.349 1.00 2.75 H new ATOM 253 N LYS A 16 -17.476 12.400 -3.141 1.00 1.13 N ATOM 254 CA LYS A 16 -17.200 12.391 -4.609 1.00 1.66 C ATOM 255 C LYS A 16 -15.703 12.181 -4.853 1.00 1.23 C ATOM 256 O LYS A 16 -15.299 11.504 -5.778 1.00 1.28 O ATOM 257 CB LYS A 16 -17.627 13.723 -5.255 1.00 2.40 C ATOM 258 CG LYS A 16 -18.191 14.696 -4.208 1.00 3.06 C ATOM 259 CD LYS A 16 -17.048 15.490 -3.565 1.00 3.08 C ATOM 260 CE LYS A 16 -17.619 16.727 -2.870 1.00 4.19 C ATOM 261 NZ LYS A 16 -17.344 17.935 -3.698 1.00 4.73 N ATOM 0 H LYS A 16 -17.318 13.293 -2.675 1.00 1.13 H new ATOM 0 HA LYS A 16 -17.772 11.578 -5.057 1.00 1.66 H new ATOM 0 HB2 LYS A 16 -16.772 14.178 -5.754 1.00 2.40 H new ATOM 0 HB3 LYS A 16 -18.379 13.534 -6.021 1.00 2.40 H new ATOM 0 HG2 LYS A 16 -18.900 15.378 -4.677 1.00 3.06 H new ATOM 0 HG3 LYS A 16 -18.738 14.144 -3.443 1.00 3.06 H new ATOM 0 HD2 LYS A 16 -16.517 14.867 -2.845 1.00 3.08 H new ATOM 0 HD3 LYS A 16 -16.324 15.787 -4.324 1.00 3.08 H new ATOM 0 HE2 LYS A 16 -18.693 16.611 -2.723 1.00 4.19 H new ATOM 0 HE3 LYS A 16 -17.172 16.841 -1.882 1.00 4.19 H new ATOM 0 HZ1 LYS A 16 -18.139 18.601 -3.615 1.00 4.73 H new ATOM 0 HZ2 LYS A 16 -16.472 18.393 -3.365 1.00 4.73 H new ATOM 0 HZ3 LYS A 16 -17.229 17.655 -4.693 1.00 4.73 H new ATOM 275 N VAL A 17 -14.880 12.770 -4.033 1.00 1.03 N ATOM 276 CA VAL A 17 -13.406 12.628 -4.213 1.00 0.85 C ATOM 277 C VAL A 17 -12.952 11.199 -3.892 1.00 0.85 C ATOM 278 O VAL A 17 -12.462 10.487 -4.750 1.00 0.80 O ATOM 279 CB VAL A 17 -12.688 13.617 -3.289 1.00 1.17 C ATOM 280 CG1 VAL A 17 -11.350 14.006 -3.912 1.00 1.07 C ATOM 281 CG2 VAL A 17 -13.542 14.876 -3.115 1.00 1.83 C ATOM 0 H VAL A 17 -15.164 13.347 -3.241 1.00 1.03 H new ATOM 0 HA VAL A 17 -13.157 12.841 -5.253 1.00 0.85 H new ATOM 0 HB VAL A 17 -12.526 13.150 -2.318 1.00 1.17 H new ATOM 0 HG11 VAL A 17 -10.835 14.710 -3.258 1.00 1.07 H new ATOM 0 HG12 VAL A 17 -10.736 13.115 -4.041 1.00 1.07 H new ATOM 0 HG13 VAL A 17 -11.522 14.472 -4.882 1.00 1.07 H new ATOM 0 HG21 VAL A 17 -13.028 15.577 -2.457 1.00 1.83 H new ATOM 0 HG22 VAL A 17 -13.704 15.343 -4.087 1.00 1.83 H new ATOM 0 HG23 VAL A 17 -14.503 14.606 -2.677 1.00 1.83 H new ATOM 291 N LEU A 18 -13.100 10.770 -2.670 1.00 0.92 N ATOM 292 CA LEU A 18 -12.666 9.390 -2.316 1.00 0.95 C ATOM 293 C LEU A 18 -13.486 8.377 -3.117 1.00 0.85 C ATOM 294 O LEU A 18 -12.968 7.387 -3.596 1.00 0.85 O ATOM 295 CB LEU A 18 -12.871 9.156 -0.819 1.00 1.14 C ATOM 296 CG LEU A 18 -11.587 9.517 -0.068 1.00 1.26 C ATOM 297 CD1 LEU A 18 -10.446 8.615 -0.543 1.00 1.63 C ATOM 298 CD2 LEU A 18 -11.226 10.979 -0.345 1.00 1.46 C ATOM 0 H LEU A 18 -13.501 11.312 -1.904 1.00 0.92 H new ATOM 0 HA LEU A 18 -11.610 9.268 -2.555 1.00 0.95 H new ATOM 0 HB2 LEU A 18 -13.701 9.762 -0.455 1.00 1.14 H new ATOM 0 HB3 LEU A 18 -13.132 8.114 -0.635 1.00 1.14 H new ATOM 0 HG LEU A 18 -11.742 9.376 1.002 1.00 1.26 H new ATOM 0 HD11 LEU A 18 -9.532 8.872 -0.008 1.00 1.63 H new ATOM 0 HD12 LEU A 18 -10.700 7.573 -0.347 1.00 1.63 H new ATOM 0 HD13 LEU A 18 -10.292 8.756 -1.613 1.00 1.63 H new ATOM 0 HD21 LEU A 18 -10.312 11.236 0.190 1.00 1.46 H new ATOM 0 HD22 LEU A 18 -11.072 11.119 -1.415 1.00 1.46 H new ATOM 0 HD23 LEU A 18 -12.037 11.624 -0.008 1.00 1.46 H new ATOM 310 N ASN A 19 -14.759 8.612 -3.274 1.00 0.90 N ATOM 311 CA ASN A 19 -15.592 7.653 -4.051 1.00 0.91 C ATOM 312 C ASN A 19 -15.145 7.685 -5.513 1.00 0.78 C ATOM 313 O ASN A 19 -15.458 6.805 -6.290 1.00 0.79 O ATOM 314 CB ASN A 19 -17.066 8.047 -3.949 1.00 1.08 C ATOM 315 CG ASN A 19 -17.939 6.844 -4.310 1.00 1.31 C ATOM 316 OD1 ASN A 19 -18.128 5.954 -3.505 1.00 1.79 O ATOM 317 ND2 ASN A 19 -18.482 6.778 -5.495 1.00 1.94 N ATOM 0 H ASN A 19 -15.256 9.421 -2.901 1.00 0.90 H new ATOM 0 HA ASN A 19 -15.470 6.647 -3.650 1.00 0.91 H new ATOM 0 HB2 ASN A 19 -17.294 8.386 -2.938 1.00 1.08 H new ATOM 0 HB3 ASN A 19 -17.279 8.879 -4.620 1.00 1.08 H new ATOM 0 HD21 ASN A 19 -19.065 5.979 -5.745 1.00 1.94 H new ATOM 0 HD22 ASN A 19 -18.323 7.525 -6.171 1.00 1.94 H new ATOM 324 N GLN A 20 -14.412 8.697 -5.890 1.00 0.72 N ATOM 325 CA GLN A 20 -13.935 8.794 -7.298 1.00 0.67 C ATOM 326 C GLN A 20 -12.800 7.795 -7.521 1.00 0.61 C ATOM 327 O GLN A 20 -12.903 6.888 -8.321 1.00 0.73 O ATOM 328 CB GLN A 20 -13.404 10.207 -7.559 1.00 0.67 C ATOM 329 CG GLN A 20 -12.794 10.278 -8.960 1.00 0.83 C ATOM 330 CD GLN A 20 -13.747 9.638 -9.971 1.00 1.64 C ATOM 331 OE1 GLN A 20 -13.944 8.439 -9.963 1.00 2.49 O ATOM 332 NE2 GLN A 20 -14.350 10.392 -10.849 1.00 2.24 N ATOM 0 H GLN A 20 -14.122 9.463 -5.281 1.00 0.72 H new ATOM 0 HA GLN A 20 -14.762 8.575 -7.974 1.00 0.67 H new ATOM 0 HB2 GLN A 20 -14.212 10.932 -7.467 1.00 0.67 H new ATOM 0 HB3 GLN A 20 -12.654 10.468 -6.812 1.00 0.67 H new ATOM 0 HG2 GLN A 20 -12.604 11.316 -9.232 1.00 0.83 H new ATOM 0 HG3 GLN A 20 -11.833 9.763 -8.975 1.00 0.83 H new ATOM 0 HE21 GLN A 20 -14.185 11.399 -10.856 1.00 2.24 H new ATOM 0 HE22 GLN A 20 -14.986 9.975 -11.528 1.00 2.24 H new ATOM 341 N ILE A 21 -11.714 7.965 -6.820 1.00 0.62 N ATOM 342 CA ILE A 21 -10.557 7.036 -6.986 1.00 0.66 C ATOM 343 C ILE A 21 -11.027 5.578 -6.867 1.00 0.65 C ATOM 344 O ILE A 21 -10.603 4.723 -7.618 1.00 0.72 O ATOM 345 CB ILE A 21 -9.492 7.356 -5.921 1.00 0.77 C ATOM 346 CG1 ILE A 21 -8.645 6.106 -5.609 1.00 1.04 C ATOM 347 CG2 ILE A 21 -10.169 7.866 -4.643 1.00 0.85 C ATOM 348 CD1 ILE A 21 -9.325 5.248 -4.533 1.00 0.83 C ATOM 0 H ILE A 21 -11.576 8.709 -6.136 1.00 0.62 H new ATOM 0 HA ILE A 21 -10.120 7.170 -7.975 1.00 0.66 H new ATOM 0 HB ILE A 21 -8.832 8.131 -6.310 1.00 0.77 H new ATOM 0 HG12 ILE A 21 -8.506 5.518 -6.516 1.00 1.04 H new ATOM 0 HG13 ILE A 21 -7.654 6.407 -5.269 1.00 1.04 H new ATOM 0 HG21 ILE A 21 -9.410 8.090 -3.894 1.00 0.85 H new ATOM 0 HG22 ILE A 21 -10.736 8.770 -4.867 1.00 0.85 H new ATOM 0 HG23 ILE A 21 -10.843 7.101 -4.258 1.00 0.85 H new ATOM 0 HD11 ILE A 21 -8.712 4.371 -4.326 1.00 0.83 H new ATOM 0 HD12 ILE A 21 -9.441 5.833 -3.621 1.00 0.83 H new ATOM 0 HD13 ILE A 21 -10.306 4.930 -4.887 1.00 0.83 H new ATOM 360 N ILE A 22 -11.892 5.281 -5.937 1.00 0.64 N ATOM 361 CA ILE A 22 -12.363 3.872 -5.796 1.00 0.70 C ATOM 362 C ILE A 22 -13.239 3.499 -6.993 1.00 0.76 C ATOM 363 O ILE A 22 -13.297 2.354 -7.396 1.00 0.88 O ATOM 364 CB ILE A 22 -13.172 3.722 -4.507 1.00 0.81 C ATOM 365 CG1 ILE A 22 -14.496 4.473 -4.648 1.00 1.34 C ATOM 366 CG2 ILE A 22 -12.379 4.299 -3.333 1.00 1.25 C ATOM 367 CD1 ILE A 22 -15.576 3.511 -5.144 1.00 1.06 C ATOM 0 H ILE A 22 -12.291 5.945 -5.274 1.00 0.64 H new ATOM 0 HA ILE A 22 -11.498 3.210 -5.758 1.00 0.70 H new ATOM 0 HB ILE A 22 -13.370 2.666 -4.324 1.00 0.81 H new ATOM 0 HG12 ILE A 22 -14.788 4.901 -3.689 1.00 1.34 H new ATOM 0 HG13 ILE A 22 -14.384 5.302 -5.346 1.00 1.34 H new ATOM 0 HG21 ILE A 22 -12.957 4.191 -2.415 1.00 1.25 H new ATOM 0 HG22 ILE A 22 -11.435 3.763 -3.233 1.00 1.25 H new ATOM 0 HG23 ILE A 22 -12.178 5.355 -3.513 1.00 1.25 H new ATOM 0 HD11 ILE A 22 -16.521 4.045 -5.245 1.00 1.06 H new ATOM 0 HD12 ILE A 22 -15.284 3.104 -6.112 1.00 1.06 H new ATOM 0 HD13 ILE A 22 -15.694 2.697 -4.429 1.00 1.06 H new ATOM 379 N LYS A 23 -13.921 4.451 -7.567 1.00 0.75 N ATOM 380 CA LYS A 23 -14.790 4.141 -8.737 1.00 0.89 C ATOM 381 C LYS A 23 -13.947 4.147 -10.016 1.00 0.89 C ATOM 382 O LYS A 23 -14.380 3.696 -11.057 1.00 1.03 O ATOM 383 CB LYS A 23 -15.891 5.197 -8.850 1.00 1.02 C ATOM 384 CG LYS A 23 -17.217 4.610 -8.364 1.00 1.28 C ATOM 385 CD LYS A 23 -18.378 5.411 -8.957 1.00 1.58 C ATOM 386 CE LYS A 23 -18.253 5.437 -10.482 1.00 2.08 C ATOM 387 NZ LYS A 23 -19.566 5.811 -11.082 1.00 2.75 N ATOM 0 H LYS A 23 -13.914 5.429 -7.277 1.00 0.75 H new ATOM 0 HA LYS A 23 -15.241 3.158 -8.602 1.00 0.89 H new ATOM 0 HB2 LYS A 23 -15.630 6.073 -8.257 1.00 1.02 H new ATOM 0 HB3 LYS A 23 -15.986 5.529 -9.884 1.00 1.02 H new ATOM 0 HG2 LYS A 23 -17.294 3.564 -8.660 1.00 1.28 H new ATOM 0 HG3 LYS A 23 -17.261 4.637 -7.275 1.00 1.28 H new ATOM 0 HD2 LYS A 23 -19.328 4.963 -8.667 1.00 1.58 H new ATOM 0 HD3 LYS A 23 -18.371 6.427 -8.563 1.00 1.58 H new ATOM 0 HE2 LYS A 23 -17.487 6.152 -10.783 1.00 2.08 H new ATOM 0 HE3 LYS A 23 -17.939 4.460 -10.849 1.00 2.08 H new ATOM 0 HZ1 LYS A 23 -19.482 5.829 -12.118 1.00 2.75 H new ATOM 0 HZ2 LYS A 23 -20.286 5.113 -10.805 1.00 2.75 H new ATOM 0 HZ3 LYS A 23 -19.848 6.752 -10.741 1.00 2.75 H new ATOM 401 N GLN A 24 -12.747 4.655 -9.945 1.00 0.82 N ATOM 402 CA GLN A 24 -11.879 4.691 -11.156 1.00 0.91 C ATOM 403 C GLN A 24 -10.955 3.471 -11.160 1.00 0.86 C ATOM 404 O GLN A 24 -10.362 3.132 -12.165 1.00 0.95 O ATOM 405 CB GLN A 24 -11.038 5.968 -11.141 1.00 0.97 C ATOM 406 CG GLN A 24 -11.941 7.179 -11.390 1.00 1.58 C ATOM 407 CD GLN A 24 -11.551 7.846 -12.710 1.00 2.05 C ATOM 408 OE1 GLN A 24 -11.818 7.319 -13.772 1.00 2.22 O ATOM 409 NE2 GLN A 24 -10.925 8.991 -12.689 1.00 2.81 N ATOM 0 H GLN A 24 -12.330 5.047 -9.101 1.00 0.82 H new ATOM 0 HA GLN A 24 -12.502 4.676 -12.050 1.00 0.91 H new ATOM 0 HB2 GLN A 24 -10.531 6.071 -10.182 1.00 0.97 H new ATOM 0 HB3 GLN A 24 -10.264 5.915 -11.907 1.00 0.97 H new ATOM 0 HG2 GLN A 24 -12.985 6.867 -11.423 1.00 1.58 H new ATOM 0 HG3 GLN A 24 -11.847 7.890 -10.570 1.00 1.58 H new ATOM 0 HE21 GLN A 24 -10.701 9.433 -11.798 1.00 2.81 H new ATOM 0 HE22 GLN A 24 -10.660 9.443 -13.564 1.00 2.81 H new ATOM 418 N LEU A 25 -10.826 2.812 -10.042 1.00 0.79 N ATOM 419 CA LEU A 25 -9.939 1.615 -9.976 1.00 0.81 C ATOM 420 C LEU A 25 -10.144 0.751 -11.224 1.00 0.84 C ATOM 421 O LEU A 25 -9.200 0.258 -11.808 1.00 0.93 O ATOM 422 CB LEU A 25 -10.280 0.799 -8.727 1.00 0.85 C ATOM 423 CG LEU A 25 -9.995 1.633 -7.477 1.00 0.96 C ATOM 424 CD1 LEU A 25 -10.331 0.814 -6.229 1.00 1.53 C ATOM 425 CD2 LEU A 25 -8.514 2.019 -7.449 1.00 1.63 C ATOM 0 H LEU A 25 -11.297 3.051 -9.169 1.00 0.79 H new ATOM 0 HA LEU A 25 -8.899 1.937 -9.929 1.00 0.81 H new ATOM 0 HB2 LEU A 25 -11.329 0.504 -8.748 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -9.691 -0.118 -8.707 1.00 0.85 H new ATOM 0 HG LEU A 25 -10.607 2.535 -7.495 1.00 0.96 H new ATOM 0 HD11 LEU A 25 -10.128 1.408 -5.338 1.00 1.53 H new ATOM 0 HD12 LEU A 25 -11.385 0.538 -6.248 1.00 1.53 H new ATOM 0 HD13 LEU A 25 -9.720 -0.088 -6.210 1.00 1.53 H new ATOM 0 HD21 LEU A 25 -8.310 2.613 -6.559 1.00 1.63 H new ATOM 0 HD22 LEU A 25 -7.903 1.116 -7.431 1.00 1.63 H new ATOM 0 HD23 LEU A 25 -8.273 2.602 -8.338 1.00 1.63 H new ATOM 437 N ASN A 26 -11.369 0.565 -11.638 1.00 0.88 N ATOM 438 CA ASN A 26 -11.633 -0.267 -12.848 1.00 0.99 C ATOM 439 C ASN A 26 -10.822 -1.563 -12.767 1.00 1.02 C ATOM 440 O ASN A 26 -9.660 -1.605 -13.120 1.00 1.56 O ATOM 441 CB ASN A 26 -11.231 0.511 -14.103 1.00 1.27 C ATOM 442 CG ASN A 26 -12.454 0.696 -15.003 1.00 1.87 C ATOM 443 OD1 ASN A 26 -13.532 0.995 -14.528 1.00 2.29 O ATOM 444 ND2 ASN A 26 -12.333 0.528 -16.291 1.00 2.65 N ATOM 0 H ASN A 26 -12.199 0.954 -11.190 1.00 0.88 H new ATOM 0 HA ASN A 26 -12.695 -0.508 -12.896 1.00 0.99 H new ATOM 0 HB2 ASN A 26 -10.820 1.482 -13.826 1.00 1.27 H new ATOM 0 HB3 ASN A 26 -10.448 -0.025 -14.641 1.00 1.27 H new ATOM 0 HD21 ASN A 26 -13.143 0.648 -16.899 1.00 2.65 H new ATOM 0 HD22 ASN A 26 -11.428 0.277 -16.690 1.00 2.65 H new ATOM 451 N LEU A 27 -11.427 -2.623 -12.303 1.00 1.00 N ATOM 452 CA LEU A 27 -10.692 -3.915 -12.197 1.00 1.11 C ATOM 453 C LEU A 27 -11.085 -4.830 -13.358 1.00 0.93 C ATOM 454 O LEU A 27 -11.845 -4.456 -14.230 1.00 1.15 O ATOM 455 CB LEU A 27 -11.048 -4.598 -10.874 1.00 1.49 C ATOM 456 CG LEU A 27 -11.270 -3.543 -9.789 1.00 1.50 C ATOM 457 CD1 LEU A 27 -11.440 -4.232 -8.433 1.00 2.10 C ATOM 458 CD2 LEU A 27 -10.061 -2.607 -9.734 1.00 1.87 C ATOM 0 H LEU A 27 -12.398 -2.650 -11.993 1.00 1.00 H new ATOM 0 HA LEU A 27 -9.620 -3.722 -12.234 1.00 1.11 H new ATOM 0 HB2 LEU A 27 -11.947 -5.202 -10.996 1.00 1.49 H new ATOM 0 HB3 LEU A 27 -10.247 -5.275 -10.577 1.00 1.49 H new ATOM 0 HG LEU A 27 -12.167 -2.968 -10.020 1.00 1.50 H new ATOM 0 HD11 LEU A 27 -11.598 -3.480 -7.660 1.00 2.10 H new ATOM 0 HD12 LEU A 27 -12.300 -4.901 -8.470 1.00 2.10 H new ATOM 0 HD13 LEU A 27 -10.543 -4.807 -8.202 1.00 2.10 H new ATOM 0 HD21 LEU A 27 -10.218 -1.855 -8.961 1.00 1.87 H new ATOM 0 HD22 LEU A 27 -9.165 -3.183 -9.503 1.00 1.87 H new ATOM 0 HD23 LEU A 27 -9.937 -2.115 -10.699 1.00 1.87 H new ATOM 470 N LYS A 28 -10.573 -6.030 -13.372 1.00 0.95 N ATOM 471 CA LYS A 28 -10.912 -6.978 -14.470 1.00 1.04 C ATOM 472 C LYS A 28 -12.118 -7.821 -14.054 1.00 0.96 C ATOM 473 O LYS A 28 -13.221 -7.625 -14.523 1.00 1.46 O ATOM 474 CB LYS A 28 -9.719 -7.902 -14.727 1.00 1.34 C ATOM 475 CG LYS A 28 -8.579 -7.104 -15.359 1.00 1.87 C ATOM 476 CD LYS A 28 -8.925 -6.783 -16.814 1.00 1.94 C ATOM 477 CE LYS A 28 -8.087 -5.595 -17.291 1.00 2.30 C ATOM 478 NZ LYS A 28 -6.698 -6.050 -17.580 1.00 2.45 N ATOM 0 H LYS A 28 -9.932 -6.396 -12.668 1.00 0.95 H new ATOM 0 HA LYS A 28 -11.147 -6.419 -15.376 1.00 1.04 H new ATOM 0 HB2 LYS A 28 -9.386 -8.352 -13.792 1.00 1.34 H new ATOM 0 HB3 LYS A 28 -10.014 -8.718 -15.386 1.00 1.34 H new ATOM 0 HG2 LYS A 28 -8.414 -6.182 -14.802 1.00 1.87 H new ATOM 0 HG3 LYS A 28 -7.652 -7.675 -15.312 1.00 1.87 H new ATOM 0 HD2 LYS A 28 -8.734 -7.652 -17.444 1.00 1.94 H new ATOM 0 HD3 LYS A 28 -9.986 -6.551 -16.903 1.00 1.94 H new ATOM 0 HE2 LYS A 28 -8.532 -5.159 -18.186 1.00 2.30 H new ATOM 0 HE3 LYS A 28 -8.075 -4.816 -16.529 1.00 2.30 H new ATOM 0 HZ1 LYS A 28 -6.129 -5.242 -17.904 1.00 2.45 H new ATOM 0 HZ2 LYS A 28 -6.276 -6.447 -16.716 1.00 2.45 H new ATOM 0 HZ3 LYS A 28 -6.719 -6.779 -18.322 1.00 2.45 H new ATOM 492 N GLU A 29 -11.910 -8.760 -13.174 1.00 0.94 N ATOM 493 CA GLU A 29 -13.031 -9.625 -12.716 1.00 0.92 C ATOM 494 C GLU A 29 -12.455 -10.779 -11.895 1.00 0.84 C ATOM 495 O GLU A 29 -13.045 -11.230 -10.934 1.00 0.86 O ATOM 496 CB GLU A 29 -13.780 -10.184 -13.932 1.00 1.16 C ATOM 497 CG GLU A 29 -14.580 -11.426 -13.524 1.00 1.10 C ATOM 498 CD GLU A 29 -15.665 -11.705 -14.566 1.00 1.52 C ATOM 499 OE1 GLU A 29 -15.877 -10.854 -15.415 1.00 2.06 O ATOM 500 OE2 GLU A 29 -16.266 -12.764 -14.497 1.00 1.95 O ATOM 0 H GLU A 29 -11.005 -8.966 -12.750 1.00 0.94 H new ATOM 0 HA GLU A 29 -13.724 -9.044 -12.107 1.00 0.92 H new ATOM 0 HB2 GLU A 29 -14.450 -9.426 -14.338 1.00 1.16 H new ATOM 0 HB3 GLU A 29 -13.072 -10.439 -14.721 1.00 1.16 H new ATOM 0 HG2 GLU A 29 -13.916 -12.286 -13.437 1.00 1.10 H new ATOM 0 HG3 GLU A 29 -15.033 -11.273 -12.545 1.00 1.10 H new ATOM 507 N THR A 30 -11.302 -11.258 -12.269 1.00 0.84 N ATOM 508 CA THR A 30 -10.685 -12.379 -11.512 1.00 0.83 C ATOM 509 C THR A 30 -9.943 -11.814 -10.299 1.00 0.76 C ATOM 510 O THR A 30 -9.217 -12.517 -9.612 1.00 0.87 O ATOM 511 CB THR A 30 -9.703 -13.126 -12.417 1.00 0.90 C ATOM 512 OG1 THR A 30 -9.417 -12.332 -13.561 1.00 1.44 O ATOM 513 CG2 THR A 30 -10.326 -14.450 -12.856 1.00 1.48 C ATOM 0 H THR A 30 -10.761 -10.921 -13.066 1.00 0.84 H new ATOM 0 HA THR A 30 -11.459 -13.070 -11.177 1.00 0.83 H new ATOM 0 HB THR A 30 -8.780 -13.322 -11.872 1.00 0.90 H new ATOM 0 HG1 THR A 30 -8.787 -12.809 -14.141 1.00 1.44 H new ATOM 0 HG21 THR A 30 -9.628 -14.984 -13.501 1.00 1.48 H new ATOM 0 HG22 THR A 30 -10.546 -15.057 -11.978 1.00 1.48 H new ATOM 0 HG23 THR A 30 -11.249 -14.254 -13.403 1.00 1.48 H new ATOM 521 N ASP A 31 -10.118 -10.545 -10.033 1.00 0.67 N ATOM 522 CA ASP A 31 -9.431 -9.921 -8.874 1.00 0.69 C ATOM 523 C ASP A 31 -10.452 -9.580 -7.784 1.00 0.64 C ATOM 524 O ASP A 31 -11.199 -8.629 -7.895 1.00 0.89 O ATOM 525 CB ASP A 31 -8.733 -8.638 -9.328 1.00 0.78 C ATOM 526 CG ASP A 31 -7.275 -8.945 -9.675 1.00 1.26 C ATOM 527 OD1 ASP A 31 -6.547 -9.346 -8.782 1.00 1.90 O ATOM 528 OD2 ASP A 31 -6.913 -8.773 -10.827 1.00 1.94 O ATOM 0 H ASP A 31 -10.711 -9.915 -10.574 1.00 0.67 H new ATOM 0 HA ASP A 31 -8.697 -10.621 -8.475 1.00 0.69 H new ATOM 0 HB2 ASP A 31 -9.244 -8.221 -10.196 1.00 0.78 H new ATOM 0 HB3 ASP A 31 -8.780 -7.887 -8.539 1.00 0.78 H new ATOM 533 N THR A 32 -10.478 -10.352 -6.732 1.00 0.70 N ATOM 534 CA THR A 32 -11.429 -10.094 -5.612 1.00 0.66 C ATOM 535 C THR A 32 -11.451 -8.586 -5.299 1.00 0.65 C ATOM 536 O THR A 32 -10.671 -7.822 -5.828 1.00 0.97 O ATOM 537 CB THR A 32 -10.929 -10.865 -4.383 1.00 0.76 C ATOM 538 OG1 THR A 32 -10.399 -12.115 -4.801 1.00 1.31 O ATOM 539 CG2 THR A 32 -12.071 -11.107 -3.398 1.00 1.32 C ATOM 0 H THR A 32 -9.872 -11.162 -6.599 1.00 0.70 H new ATOM 0 HA THR A 32 -12.435 -10.416 -5.881 1.00 0.66 H new ATOM 0 HB THR A 32 -10.158 -10.275 -3.887 1.00 0.76 H new ATOM 0 HG1 THR A 32 -11.134 -12.727 -5.015 1.00 1.31 H new ATOM 0 HG21 THR A 32 -11.696 -11.655 -2.534 1.00 1.32 H new ATOM 0 HG22 THR A 32 -12.479 -10.150 -3.072 1.00 1.32 H new ATOM 0 HG23 THR A 32 -12.854 -11.689 -3.885 1.00 1.32 H new ATOM 547 N VAL A 33 -12.332 -8.148 -4.442 1.00 0.59 N ATOM 548 CA VAL A 33 -12.387 -6.697 -4.100 1.00 0.55 C ATOM 549 C VAL A 33 -12.470 -6.556 -2.580 1.00 0.56 C ATOM 550 O VAL A 33 -13.541 -6.443 -2.015 1.00 0.67 O ATOM 551 CB VAL A 33 -13.617 -6.037 -4.738 1.00 0.57 C ATOM 552 CG1 VAL A 33 -13.186 -5.217 -5.956 1.00 1.16 C ATOM 553 CG2 VAL A 33 -14.624 -7.103 -5.179 1.00 1.10 C ATOM 0 H VAL A 33 -13.017 -8.732 -3.963 1.00 0.59 H new ATOM 0 HA VAL A 33 -11.492 -6.205 -4.482 1.00 0.55 H new ATOM 0 HB VAL A 33 -14.086 -5.386 -4.001 1.00 0.57 H new ATOM 0 HG11 VAL A 33 -14.061 -4.749 -6.408 1.00 1.16 H new ATOM 0 HG12 VAL A 33 -12.482 -4.445 -5.645 1.00 1.16 H new ATOM 0 HG13 VAL A 33 -12.708 -5.872 -6.685 1.00 1.16 H new ATOM 0 HG21 VAL A 33 -15.491 -6.620 -5.630 1.00 1.10 H new ATOM 0 HG22 VAL A 33 -14.157 -7.765 -5.909 1.00 1.10 H new ATOM 0 HG23 VAL A 33 -14.941 -7.684 -4.313 1.00 1.10 H new ATOM 563 N TYR A 34 -11.350 -6.569 -1.910 1.00 0.53 N ATOM 564 CA TYR A 34 -11.370 -6.443 -0.425 1.00 0.57 C ATOM 565 C TYR A 34 -11.292 -4.970 -0.024 1.00 0.57 C ATOM 566 O TYR A 34 -10.704 -4.158 -0.709 1.00 0.81 O ATOM 567 CB TYR A 34 -10.170 -7.188 0.157 1.00 0.64 C ATOM 568 CG TYR A 34 -10.411 -8.673 0.070 1.00 0.54 C ATOM 569 CD1 TYR A 34 -11.417 -9.265 0.845 1.00 1.40 C ATOM 570 CD2 TYR A 34 -9.633 -9.460 -0.789 1.00 1.30 C ATOM 571 CE1 TYR A 34 -11.644 -10.644 0.762 1.00 1.45 C ATOM 572 CE2 TYR A 34 -9.860 -10.838 -0.874 1.00 1.50 C ATOM 573 CZ TYR A 34 -10.865 -11.431 -0.099 1.00 1.01 C ATOM 574 OH TYR A 34 -11.088 -12.788 -0.188 1.00 1.36 O ATOM 0 H TYR A 34 -10.423 -6.661 -2.326 1.00 0.53 H new ATOM 0 HA TYR A 34 -12.296 -6.870 -0.040 1.00 0.57 H new ATOM 0 HB2 TYR A 34 -9.264 -6.923 -0.389 1.00 0.64 H new ATOM 0 HB3 TYR A 34 -10.014 -6.894 1.195 1.00 0.64 H new ATOM 0 HD1 TYR A 34 -12.017 -8.658 1.506 1.00 1.40 H new ATOM 0 HD2 TYR A 34 -8.858 -9.003 -1.386 1.00 1.30 H new ATOM 0 HE1 TYR A 34 -12.418 -11.101 1.360 1.00 1.45 H new ATOM 0 HE2 TYR A 34 -9.261 -11.444 -1.537 1.00 1.50 H new ATOM 0 HH TYR A 34 -11.857 -12.956 -0.771 1.00 1.36 H new ATOM 584 N GLU A 35 -11.878 -4.625 1.088 1.00 0.62 N ATOM 585 CA GLU A 35 -11.840 -3.209 1.549 1.00 0.66 C ATOM 586 C GLU A 35 -11.518 -3.191 3.045 1.00 0.72 C ATOM 587 O GLU A 35 -12.401 -3.206 3.879 1.00 1.00 O ATOM 588 CB GLU A 35 -13.201 -2.548 1.306 1.00 0.72 C ATOM 589 CG GLU A 35 -14.313 -3.442 1.860 1.00 1.02 C ATOM 590 CD GLU A 35 -14.864 -2.834 3.151 1.00 2.13 C ATOM 591 OE1 GLU A 35 -14.872 -1.619 3.256 1.00 2.74 O ATOM 592 OE2 GLU A 35 -15.268 -3.596 4.014 1.00 2.94 O ATOM 0 H GLU A 35 -12.384 -5.265 1.700 1.00 0.62 H new ATOM 0 HA GLU A 35 -11.078 -2.659 0.997 1.00 0.66 H new ATOM 0 HB2 GLU A 35 -13.233 -1.571 1.787 1.00 0.72 H new ATOM 0 HB3 GLU A 35 -13.351 -2.383 0.239 1.00 0.72 H new ATOM 0 HG2 GLU A 35 -15.111 -3.545 1.125 1.00 1.02 H new ATOM 0 HG3 GLU A 35 -13.927 -4.443 2.053 1.00 1.02 H new ATOM 599 N ILE A 36 -10.259 -3.167 3.389 1.00 0.62 N ATOM 600 CA ILE A 36 -9.880 -3.158 4.830 1.00 0.70 C ATOM 601 C ILE A 36 -9.764 -1.711 5.329 1.00 0.72 C ATOM 602 O ILE A 36 -9.628 -0.784 4.555 1.00 0.82 O ATOM 603 CB ILE A 36 -8.548 -3.916 5.001 1.00 0.79 C ATOM 604 CG1 ILE A 36 -8.613 -4.773 6.267 1.00 1.16 C ATOM 605 CG2 ILE A 36 -7.365 -2.943 5.104 1.00 1.45 C ATOM 606 CD1 ILE A 36 -8.401 -6.243 5.895 1.00 1.00 C ATOM 0 H ILE A 36 -9.477 -3.153 2.734 1.00 0.62 H new ATOM 0 HA ILE A 36 -10.646 -3.656 5.424 1.00 0.70 H new ATOM 0 HB ILE A 36 -8.396 -4.548 4.126 1.00 0.79 H new ATOM 0 HG12 ILE A 36 -7.850 -4.452 6.977 1.00 1.16 H new ATOM 0 HG13 ILE A 36 -9.578 -4.646 6.757 1.00 1.16 H new ATOM 0 HG21 ILE A 36 -6.440 -3.507 5.224 1.00 1.45 H new ATOM 0 HG22 ILE A 36 -7.309 -2.342 4.197 1.00 1.45 H new ATOM 0 HG23 ILE A 36 -7.506 -2.289 5.965 1.00 1.45 H new ATOM 0 HD11 ILE A 36 -8.447 -6.856 6.795 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -9.180 -6.559 5.201 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -7.425 -6.362 5.424 1.00 1.00 H new ATOM 618 N GLY A 37 -9.818 -1.515 6.619 1.00 0.98 N ATOM 619 CA GLY A 37 -9.713 -0.135 7.172 1.00 1.06 C ATOM 620 C GLY A 37 -10.792 0.069 8.236 1.00 1.05 C ATOM 621 O GLY A 37 -10.867 -0.661 9.205 1.00 1.74 O ATOM 0 H GLY A 37 -9.931 -2.253 7.314 1.00 0.98 H new ATOM 0 HA2 GLY A 37 -8.725 0.021 7.606 1.00 1.06 H new ATOM 0 HA3 GLY A 37 -9.830 0.598 6.374 1.00 1.06 H new ATOM 625 N THR A 38 -11.631 1.054 8.065 1.00 0.99 N ATOM 626 CA THR A 38 -12.706 1.299 9.069 1.00 1.21 C ATOM 627 C THR A 38 -14.072 1.081 8.413 1.00 1.56 C ATOM 628 O THR A 38 -14.213 0.292 7.500 1.00 2.40 O ATOM 629 CB THR A 38 -12.609 2.737 9.583 1.00 1.68 C ATOM 630 OG1 THR A 38 -13.065 3.631 8.577 1.00 2.47 O ATOM 631 CG2 THR A 38 -11.155 3.059 9.934 1.00 1.70 C ATOM 0 H THR A 38 -11.619 1.699 7.275 1.00 0.99 H new ATOM 0 HA THR A 38 -12.588 0.609 9.904 1.00 1.21 H new ATOM 0 HB THR A 38 -13.228 2.847 10.474 1.00 1.68 H new ATOM 0 HG1 THR A 38 -13.005 4.552 8.906 1.00 2.47 H new ATOM 0 HG21 THR A 38 -11.087 4.084 10.300 1.00 1.70 H new ATOM 0 HG22 THR A 38 -10.807 2.374 10.707 1.00 1.70 H new ATOM 0 HG23 THR A 38 -10.533 2.949 9.045 1.00 1.70 H new ATOM 639 N GLY A 39 -15.079 1.773 8.872 1.00 1.75 N ATOM 640 CA GLY A 39 -16.434 1.602 8.273 1.00 2.43 C ATOM 641 C GLY A 39 -17.105 2.968 8.120 1.00 2.09 C ATOM 642 O GLY A 39 -17.682 3.495 9.050 1.00 2.45 O ATOM 0 H GLY A 39 -15.023 2.448 9.634 1.00 1.75 H new ATOM 0 HA2 GLY A 39 -16.354 1.114 7.301 1.00 2.43 H new ATOM 0 HA3 GLY A 39 -17.043 0.956 8.905 1.00 2.43 H new ATOM 646 N LYS A 40 -17.036 3.547 6.951 1.00 2.12 N ATOM 647 CA LYS A 40 -17.672 4.878 6.740 1.00 2.17 C ATOM 648 C LYS A 40 -19.178 4.696 6.540 1.00 2.32 C ATOM 649 O LYS A 40 -19.976 5.091 7.366 1.00 3.03 O ATOM 650 CB LYS A 40 -17.067 5.541 5.500 1.00 2.74 C ATOM 651 CG LYS A 40 -17.827 6.831 5.186 1.00 3.06 C ATOM 652 CD LYS A 40 -17.929 7.686 6.451 1.00 3.53 C ATOM 653 CE LYS A 40 -18.331 9.113 6.071 1.00 4.08 C ATOM 654 NZ LYS A 40 -18.472 9.935 7.306 1.00 4.44 N ATOM 0 H LYS A 40 -16.567 3.155 6.134 1.00 2.12 H new ATOM 0 HA LYS A 40 -17.495 5.509 7.611 1.00 2.17 H new ATOM 0 HB2 LYS A 40 -16.013 5.760 5.670 1.00 2.74 H new ATOM 0 HB3 LYS A 40 -17.118 4.861 4.650 1.00 2.74 H new ATOM 0 HG2 LYS A 40 -17.314 7.385 4.400 1.00 3.06 H new ATOM 0 HG3 LYS A 40 -18.824 6.596 4.812 1.00 3.06 H new ATOM 0 HD2 LYS A 40 -18.664 7.259 7.133 1.00 3.53 H new ATOM 0 HD3 LYS A 40 -16.974 7.693 6.976 1.00 3.53 H new ATOM 0 HE2 LYS A 40 -17.580 9.551 5.414 1.00 4.08 H new ATOM 0 HE3 LYS A 40 -19.271 9.103 5.519 1.00 4.08 H new ATOM 0 HZ1 LYS A 40 -18.745 10.905 7.048 1.00 4.44 H new ATOM 0 HZ2 LYS A 40 -19.204 9.520 7.917 1.00 4.44 H new ATOM 0 HZ3 LYS A 40 -17.566 9.955 7.815 1.00 4.44 H new ATOM 668 N GLY A 41 -19.574 4.099 5.449 1.00 2.24 N ATOM 669 CA GLY A 41 -21.029 3.892 5.200 1.00 2.69 C ATOM 670 C GLY A 41 -21.363 4.267 3.755 1.00 2.25 C ATOM 671 O GLY A 41 -22.348 4.927 3.489 1.00 2.95 O ATOM 0 H GLY A 41 -18.954 3.746 4.720 1.00 2.24 H new ATOM 0 HA2 GLY A 41 -21.295 2.852 5.387 1.00 2.69 H new ATOM 0 HA3 GLY A 41 -21.616 4.500 5.889 1.00 2.69 H new ATOM 675 N HIS A 42 -20.554 3.852 2.819 1.00 1.72 N ATOM 676 CA HIS A 42 -20.832 4.186 1.394 1.00 1.88 C ATOM 677 C HIS A 42 -19.750 3.572 0.503 1.00 1.67 C ATOM 678 O HIS A 42 -18.965 4.270 -0.106 1.00 2.32 O ATOM 679 CB HIS A 42 -20.837 5.706 1.217 1.00 2.42 C ATOM 680 CG HIS A 42 -22.106 6.124 0.526 1.00 2.99 C ATOM 681 ND1 HIS A 42 -23.298 6.295 1.212 1.00 3.75 N ATOM 682 CD2 HIS A 42 -22.386 6.405 -0.788 1.00 3.52 C ATOM 683 CE1 HIS A 42 -24.232 6.664 0.316 1.00 4.53 C ATOM 684 NE2 HIS A 42 -23.729 6.746 -0.919 1.00 4.46 N ATOM 0 H HIS A 42 -19.714 3.297 2.979 1.00 1.72 H new ATOM 0 HA HIS A 42 -21.805 3.784 1.111 1.00 1.88 H new ATOM 0 HB2 HIS A 42 -20.760 6.196 2.187 1.00 2.42 H new ATOM 0 HB3 HIS A 42 -19.972 6.018 0.632 1.00 2.42 H new ATOM 0 HD1 HIS A 42 -23.441 6.165 2.213 1.00 3.75 H new ATOM 0 HD2 HIS A 42 -21.672 6.367 -1.598 1.00 3.52 H new ATOM 0 HE1 HIS A 42 -25.263 6.869 0.565 1.00 4.53 H new ATOM 692 N LEU A 43 -19.706 2.270 0.423 1.00 1.38 N ATOM 693 CA LEU A 43 -18.678 1.608 -0.428 1.00 1.38 C ATOM 694 C LEU A 43 -18.685 0.102 -0.152 1.00 1.33 C ATOM 695 O LEU A 43 -19.517 -0.397 0.579 1.00 2.03 O ATOM 696 CB LEU A 43 -17.296 2.182 -0.104 1.00 1.57 C ATOM 697 CG LEU A 43 -16.603 2.611 -1.398 1.00 1.47 C ATOM 698 CD1 LEU A 43 -15.852 3.924 -1.166 1.00 1.81 C ATOM 699 CD2 LEU A 43 -15.611 1.528 -1.826 1.00 1.84 C ATOM 0 H LEU A 43 -20.339 1.636 0.911 1.00 1.38 H new ATOM 0 HA LEU A 43 -18.905 1.787 -1.479 1.00 1.38 H new ATOM 0 HB2 LEU A 43 -17.394 3.035 0.568 1.00 1.57 H new ATOM 0 HB3 LEU A 43 -16.693 1.436 0.413 1.00 1.57 H new ATOM 0 HG LEU A 43 -17.350 2.753 -2.179 1.00 1.47 H new ATOM 0 HD11 LEU A 43 -15.358 4.229 -2.089 1.00 1.81 H new ATOM 0 HD12 LEU A 43 -16.557 4.697 -0.859 1.00 1.81 H new ATOM 0 HD13 LEU A 43 -15.105 3.783 -0.385 1.00 1.81 H new ATOM 0 HD21 LEU A 43 -15.116 1.832 -2.748 1.00 1.84 H new ATOM 0 HD22 LEU A 43 -14.866 1.388 -1.043 1.00 1.84 H new ATOM 0 HD23 LEU A 43 -16.144 0.592 -1.992 1.00 1.84 H new ATOM 711 N THR A 44 -17.765 -0.623 -0.732 1.00 1.22 N ATOM 712 CA THR A 44 -17.714 -2.097 -0.508 1.00 1.08 C ATOM 713 C THR A 44 -18.767 -2.784 -1.384 1.00 1.14 C ATOM 714 O THR A 44 -18.447 -3.402 -2.380 1.00 1.57 O ATOM 715 CB THR A 44 -17.985 -2.409 0.967 1.00 1.05 C ATOM 716 OG1 THR A 44 -17.313 -1.457 1.781 1.00 1.17 O ATOM 717 CG2 THR A 44 -17.476 -3.814 1.295 1.00 1.01 C ATOM 0 H THR A 44 -17.044 -0.256 -1.353 1.00 1.22 H new ATOM 0 HA THR A 44 -16.724 -2.467 -0.774 1.00 1.08 H new ATOM 0 HB THR A 44 -19.057 -2.360 1.159 1.00 1.05 H new ATOM 0 HG1 THR A 44 -17.801 -1.344 2.623 1.00 1.17 H new ATOM 0 HG21 THR A 44 -17.669 -4.035 2.345 1.00 1.01 H new ATOM 0 HG22 THR A 44 -17.992 -4.543 0.670 1.00 1.01 H new ATOM 0 HG23 THR A 44 -16.404 -3.866 1.105 1.00 1.01 H new ATOM 725 N THR A 45 -20.020 -2.681 -1.027 1.00 1.11 N ATOM 726 CA THR A 45 -21.077 -3.331 -1.854 1.00 1.17 C ATOM 727 C THR A 45 -20.963 -2.818 -3.290 1.00 1.22 C ATOM 728 O THR A 45 -21.165 -3.549 -4.240 1.00 1.51 O ATOM 729 CB THR A 45 -22.464 -2.994 -1.294 1.00 1.32 C ATOM 730 OG1 THR A 45 -22.890 -1.740 -1.809 1.00 1.55 O ATOM 731 CG2 THR A 45 -22.403 -2.927 0.233 1.00 1.30 C ATOM 0 H THR A 45 -20.355 -2.179 -0.205 1.00 1.11 H new ATOM 0 HA THR A 45 -20.945 -4.413 -1.833 1.00 1.17 H new ATOM 0 HB THR A 45 -23.171 -3.769 -1.591 1.00 1.32 H new ATOM 0 HG1 THR A 45 -23.777 -1.525 -1.453 1.00 1.55 H new ATOM 0 HG21 THR A 45 -23.391 -2.687 0.626 1.00 1.30 H new ATOM 0 HG22 THR A 45 -22.080 -3.891 0.627 1.00 1.30 H new ATOM 0 HG23 THR A 45 -21.695 -2.155 0.535 1.00 1.30 H new ATOM 739 N LYS A 46 -20.631 -1.566 -3.456 1.00 1.22 N ATOM 740 CA LYS A 46 -20.493 -1.006 -4.829 1.00 1.29 C ATOM 741 C LYS A 46 -19.168 -1.486 -5.422 1.00 1.12 C ATOM 742 O LYS A 46 -19.085 -1.853 -6.577 1.00 1.11 O ATOM 743 CB LYS A 46 -20.505 0.523 -4.760 1.00 1.56 C ATOM 744 CG LYS A 46 -21.585 0.978 -3.777 1.00 1.75 C ATOM 745 CD LYS A 46 -21.764 2.495 -3.875 1.00 1.97 C ATOM 746 CE LYS A 46 -22.700 2.824 -5.039 1.00 2.29 C ATOM 747 NZ LYS A 46 -22.352 4.164 -5.592 1.00 2.60 N ATOM 0 H LYS A 46 -20.449 -0.907 -2.699 1.00 1.22 H new ATOM 0 HA LYS A 46 -21.321 -1.340 -5.455 1.00 1.29 H new ATOM 0 HB2 LYS A 46 -19.530 0.891 -4.442 1.00 1.56 H new ATOM 0 HB3 LYS A 46 -20.697 0.941 -5.748 1.00 1.56 H new ATOM 0 HG2 LYS A 46 -22.527 0.476 -3.998 1.00 1.75 H new ATOM 0 HG3 LYS A 46 -21.306 0.700 -2.761 1.00 1.75 H new ATOM 0 HD2 LYS A 46 -22.174 2.884 -2.943 1.00 1.97 H new ATOM 0 HD3 LYS A 46 -20.798 2.977 -4.024 1.00 1.97 H new ATOM 0 HE2 LYS A 46 -22.613 2.064 -5.816 1.00 2.29 H new ATOM 0 HE3 LYS A 46 -23.736 2.816 -4.700 1.00 2.29 H new ATOM 0 HZ1 LYS A 46 -22.988 4.389 -6.384 1.00 2.60 H new ATOM 0 HZ2 LYS A 46 -22.456 4.884 -4.849 1.00 2.60 H new ATOM 0 HZ3 LYS A 46 -21.368 4.155 -5.930 1.00 2.60 H new ATOM 761 N LEU A 47 -18.130 -1.491 -4.629 1.00 1.13 N ATOM 762 CA LEU A 47 -16.807 -1.954 -5.129 1.00 1.12 C ATOM 763 C LEU A 47 -16.961 -3.374 -5.675 1.00 0.86 C ATOM 764 O LEU A 47 -16.230 -3.802 -6.546 1.00 0.95 O ATOM 765 CB LEU A 47 -15.804 -1.938 -3.962 1.00 1.41 C ATOM 766 CG LEU A 47 -14.663 -2.926 -4.215 1.00 1.05 C ATOM 767 CD1 LEU A 47 -13.809 -2.429 -5.377 1.00 1.41 C ATOM 768 CD2 LEU A 47 -13.796 -3.034 -2.959 1.00 1.48 C ATOM 0 H LEU A 47 -18.143 -1.193 -3.654 1.00 1.13 H new ATOM 0 HA LEU A 47 -16.443 -1.301 -5.922 1.00 1.12 H new ATOM 0 HB2 LEU A 47 -15.400 -0.933 -3.837 1.00 1.41 H new ATOM 0 HB3 LEU A 47 -16.315 -2.194 -3.034 1.00 1.41 H new ATOM 0 HG LEU A 47 -15.077 -3.904 -4.459 1.00 1.05 H new ATOM 0 HD11 LEU A 47 -12.996 -3.132 -5.558 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -14.425 -2.348 -6.273 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -13.395 -1.451 -5.132 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -12.983 -3.737 -3.138 1.00 1.48 H new ATOM 0 HD22 LEU A 47 -13.382 -2.055 -2.717 1.00 1.48 H new ATOM 0 HD23 LEU A 47 -14.404 -3.387 -2.126 1.00 1.48 H new ATOM 780 N ALA A 48 -17.909 -4.106 -5.164 1.00 0.75 N ATOM 781 CA ALA A 48 -18.119 -5.499 -5.641 1.00 0.86 C ATOM 782 C ALA A 48 -18.711 -5.477 -7.049 1.00 0.92 C ATOM 783 O ALA A 48 -18.417 -6.323 -7.870 1.00 1.05 O ATOM 784 CB ALA A 48 -19.086 -6.207 -4.697 1.00 1.20 C ATOM 0 H ALA A 48 -18.550 -3.798 -4.433 1.00 0.75 H new ATOM 0 HA ALA A 48 -17.165 -6.027 -5.660 1.00 0.86 H new ATOM 0 HB1 ALA A 48 -19.246 -7.229 -5.039 1.00 1.20 H new ATOM 0 HB2 ALA A 48 -18.667 -6.223 -3.691 1.00 1.20 H new ATOM 0 HB3 ALA A 48 -20.038 -5.676 -4.685 1.00 1.20 H new ATOM 790 N LYS A 49 -19.542 -4.515 -7.337 1.00 1.05 N ATOM 791 CA LYS A 49 -20.150 -4.441 -8.693 1.00 1.37 C ATOM 792 C LYS A 49 -19.049 -4.606 -9.738 1.00 1.27 C ATOM 793 O LYS A 49 -19.288 -5.026 -10.853 1.00 1.56 O ATOM 794 CB LYS A 49 -20.833 -3.080 -8.872 1.00 1.64 C ATOM 795 CG LYS A 49 -21.810 -3.137 -10.049 1.00 2.23 C ATOM 796 CD LYS A 49 -22.693 -4.378 -9.919 1.00 2.46 C ATOM 797 CE LYS A 49 -24.136 -4.022 -10.277 1.00 3.16 C ATOM 798 NZ LYS A 49 -24.161 -3.293 -11.576 1.00 3.70 N ATOM 0 H LYS A 49 -19.826 -3.778 -6.692 1.00 1.05 H new ATOM 0 HA LYS A 49 -20.891 -5.231 -8.812 1.00 1.37 H new ATOM 0 HB2 LYS A 49 -21.364 -2.808 -7.960 1.00 1.64 H new ATOM 0 HB3 LYS A 49 -20.084 -2.308 -9.047 1.00 1.64 H new ATOM 0 HG2 LYS A 49 -22.427 -2.239 -10.067 1.00 2.23 H new ATOM 0 HG3 LYS A 49 -21.261 -3.165 -10.990 1.00 2.23 H new ATOM 0 HD2 LYS A 49 -22.328 -5.166 -10.578 1.00 2.46 H new ATOM 0 HD3 LYS A 49 -22.645 -4.765 -8.901 1.00 2.46 H new ATOM 0 HE2 LYS A 49 -24.739 -4.928 -10.344 1.00 3.16 H new ATOM 0 HE3 LYS A 49 -24.575 -3.405 -9.493 1.00 3.16 H new ATOM 0 HZ1 LYS A 49 -25.058 -3.487 -12.065 1.00 3.70 H new ATOM 0 HZ2 LYS A 49 -24.075 -2.271 -11.402 1.00 3.70 H new ATOM 0 HZ3 LYS A 49 -23.368 -3.612 -12.168 1.00 3.70 H new ATOM 812 N ILE A 50 -17.843 -4.278 -9.377 1.00 0.99 N ATOM 813 CA ILE A 50 -16.709 -4.410 -10.332 1.00 1.04 C ATOM 814 C ILE A 50 -16.339 -5.885 -10.491 1.00 0.91 C ATOM 815 O ILE A 50 -16.530 -6.478 -11.534 1.00 1.03 O ATOM 816 CB ILE A 50 -15.495 -3.655 -9.786 1.00 1.10 C ATOM 817 CG1 ILE A 50 -15.725 -2.148 -9.917 1.00 1.21 C ATOM 818 CG2 ILE A 50 -14.246 -4.054 -10.577 1.00 1.29 C ATOM 819 CD1 ILE A 50 -15.570 -1.489 -8.544 1.00 1.24 C ATOM 0 H ILE A 50 -17.591 -3.921 -8.455 1.00 0.99 H new ATOM 0 HA ILE A 50 -17.004 -3.997 -11.297 1.00 1.04 H new ATOM 0 HB ILE A 50 -15.355 -3.908 -8.735 1.00 1.10 H new ATOM 0 HG12 ILE A 50 -15.011 -1.720 -10.621 1.00 1.21 H new ATOM 0 HG13 ILE A 50 -16.721 -1.954 -10.315 1.00 1.21 H new ATOM 0 HG21 ILE A 50 -13.382 -3.516 -10.188 1.00 1.29 H new ATOM 0 HG22 ILE A 50 -14.080 -5.127 -10.478 1.00 1.29 H new ATOM 0 HG23 ILE A 50 -14.386 -3.804 -11.629 1.00 1.29 H new ATOM 0 HD11 ILE A 50 -15.733 -0.415 -8.635 1.00 1.24 H new ATOM 0 HD12 ILE A 50 -16.301 -1.910 -7.854 1.00 1.24 H new ATOM 0 HD13 ILE A 50 -14.565 -1.672 -8.164 1.00 1.24 H new ATOM 831 N SER A 51 -15.802 -6.477 -9.461 1.00 0.76 N ATOM 832 CA SER A 51 -15.406 -7.909 -9.544 1.00 0.70 C ATOM 833 C SER A 51 -16.566 -8.800 -9.114 1.00 0.75 C ATOM 834 O SER A 51 -17.689 -8.360 -8.971 1.00 1.47 O ATOM 835 CB SER A 51 -14.209 -8.157 -8.627 1.00 0.65 C ATOM 836 OG SER A 51 -13.240 -8.930 -9.320 1.00 0.97 O ATOM 0 H SER A 51 -15.620 -6.029 -8.563 1.00 0.76 H new ATOM 0 HA SER A 51 -15.138 -8.146 -10.574 1.00 0.70 H new ATOM 0 HB2 SER A 51 -13.776 -7.208 -8.311 1.00 0.65 H new ATOM 0 HB3 SER A 51 -14.529 -8.678 -7.725 1.00 0.65 H new ATOM 0 HG SER A 51 -12.343 -8.601 -9.102 1.00 0.97 H new ATOM 842 N LYS A 52 -16.296 -10.057 -8.912 1.00 0.95 N ATOM 843 CA LYS A 52 -17.369 -10.996 -8.496 1.00 0.98 C ATOM 844 C LYS A 52 -17.003 -11.619 -7.148 1.00 0.89 C ATOM 845 O LYS A 52 -17.394 -12.727 -6.838 1.00 1.08 O ATOM 846 CB LYS A 52 -17.500 -12.093 -9.552 1.00 1.13 C ATOM 847 CG LYS A 52 -18.839 -12.808 -9.387 1.00 1.75 C ATOM 848 CD LYS A 52 -19.470 -13.030 -10.764 1.00 2.09 C ATOM 849 CE LYS A 52 -19.509 -14.528 -11.083 1.00 2.61 C ATOM 850 NZ LYS A 52 -18.250 -15.175 -10.614 1.00 2.91 N ATOM 0 H LYS A 52 -15.372 -10.476 -9.018 1.00 0.95 H new ATOM 0 HA LYS A 52 -18.315 -10.464 -8.399 1.00 0.98 H new ATOM 0 HB2 LYS A 52 -17.428 -11.661 -10.550 1.00 1.13 H new ATOM 0 HB3 LYS A 52 -16.681 -12.806 -9.453 1.00 1.13 H new ATOM 0 HG2 LYS A 52 -18.694 -13.764 -8.883 1.00 1.75 H new ATOM 0 HG3 LYS A 52 -19.506 -12.215 -8.761 1.00 1.75 H new ATOM 0 HD2 LYS A 52 -20.479 -12.619 -10.782 1.00 2.09 H new ATOM 0 HD3 LYS A 52 -18.897 -12.502 -11.526 1.00 2.09 H new ATOM 0 HE2 LYS A 52 -20.369 -14.990 -10.599 1.00 2.61 H new ATOM 0 HE3 LYS A 52 -19.628 -14.678 -12.156 1.00 2.61 H new ATOM 0 HZ1 LYS A 52 -18.075 -16.036 -11.170 1.00 2.91 H new ATOM 0 HZ2 LYS A 52 -17.455 -14.516 -10.736 1.00 2.91 H new ATOM 0 HZ3 LYS A 52 -18.342 -15.424 -9.608 1.00 2.91 H new ATOM 864 N GLN A 53 -16.251 -10.917 -6.344 1.00 0.75 N ATOM 865 CA GLN A 53 -15.856 -11.472 -5.018 1.00 0.70 C ATOM 866 C GLN A 53 -15.797 -10.345 -3.984 1.00 0.62 C ATOM 867 O GLN A 53 -14.814 -9.642 -3.888 1.00 0.80 O ATOM 868 CB GLN A 53 -14.466 -12.110 -5.124 1.00 0.76 C ATOM 869 CG GLN A 53 -14.319 -12.837 -6.459 1.00 1.85 C ATOM 870 CD GLN A 53 -13.438 -14.076 -6.280 1.00 2.34 C ATOM 871 OE1 GLN A 53 -12.450 -14.045 -5.428 1.00 2.83 O flip ATOM 872 NE2 GLN A 53 -13.649 -15.083 -6.927 1.00 2.89 N flip ATOM 0 H GLN A 53 -15.893 -9.984 -6.548 1.00 0.75 H new ATOM 0 HA GLN A 53 -16.589 -12.218 -4.713 1.00 0.70 H new ATOM 0 HB2 GLN A 53 -13.698 -11.342 -5.033 1.00 0.76 H new ATOM 0 HB3 GLN A 53 -14.316 -12.810 -4.302 1.00 0.76 H new ATOM 0 HG2 GLN A 53 -15.300 -13.128 -6.835 1.00 1.85 H new ATOM 0 HG3 GLN A 53 -13.878 -12.170 -7.200 1.00 1.85 H new ATOM 0 HE21 GLN A 53 -14.421 -15.109 -7.593 1.00 2.89 H new ATOM 0 HE22 GLN A 53 -13.054 -15.902 -6.804 1.00 2.89 H new ATOM 881 N VAL A 54 -16.828 -10.154 -3.206 1.00 0.70 N ATOM 882 CA VAL A 54 -16.778 -9.058 -2.197 1.00 0.70 C ATOM 883 C VAL A 54 -16.878 -9.627 -0.778 1.00 0.72 C ATOM 884 O VAL A 54 -17.510 -10.635 -0.538 1.00 1.03 O ATOM 885 CB VAL A 54 -17.930 -8.091 -2.444 1.00 0.83 C ATOM 886 CG1 VAL A 54 -19.263 -8.827 -2.293 1.00 1.27 C ATOM 887 CG2 VAL A 54 -17.859 -6.948 -1.429 1.00 1.17 C ATOM 0 H VAL A 54 -17.690 -10.700 -3.224 1.00 0.70 H new ATOM 0 HA VAL A 54 -15.828 -8.533 -2.294 1.00 0.70 H new ATOM 0 HB VAL A 54 -17.855 -7.688 -3.454 1.00 0.83 H new ATOM 0 HG11 VAL A 54 -20.084 -8.133 -2.470 1.00 1.27 H new ATOM 0 HG12 VAL A 54 -19.313 -9.641 -3.016 1.00 1.27 H new ATOM 0 HG13 VAL A 54 -19.342 -9.233 -1.284 1.00 1.27 H new ATOM 0 HG21 VAL A 54 -18.682 -6.255 -1.603 1.00 1.17 H new ATOM 0 HG22 VAL A 54 -17.933 -7.353 -0.420 1.00 1.17 H new ATOM 0 HG23 VAL A 54 -16.911 -6.421 -1.540 1.00 1.17 H new ATOM 897 N THR A 55 -16.254 -8.977 0.166 1.00 0.59 N ATOM 898 CA THR A 55 -16.301 -9.456 1.578 1.00 0.60 C ATOM 899 C THR A 55 -15.867 -8.311 2.497 1.00 0.61 C ATOM 900 O THR A 55 -14.860 -7.669 2.271 1.00 0.84 O ATOM 901 CB THR A 55 -15.360 -10.657 1.750 1.00 0.68 C ATOM 902 OG1 THR A 55 -15.992 -11.825 1.249 1.00 1.15 O ATOM 903 CG2 THR A 55 -15.027 -10.854 3.231 1.00 0.96 C ATOM 0 H THR A 55 -15.709 -8.127 0.019 1.00 0.59 H new ATOM 0 HA THR A 55 -17.313 -9.769 1.834 1.00 0.60 H new ATOM 0 HB THR A 55 -14.438 -10.471 1.199 1.00 0.68 H new ATOM 0 HG1 THR A 55 -16.713 -11.570 0.636 1.00 1.15 H new ATOM 0 HG21 THR A 55 -14.359 -11.708 3.343 1.00 0.96 H new ATOM 0 HG22 THR A 55 -14.539 -9.959 3.616 1.00 0.96 H new ATOM 0 HG23 THR A 55 -15.945 -11.036 3.789 1.00 0.96 H new ATOM 911 N SER A 56 -16.619 -8.048 3.529 1.00 0.74 N ATOM 912 CA SER A 56 -16.250 -6.942 4.456 1.00 0.79 C ATOM 913 C SER A 56 -15.313 -7.464 5.547 1.00 0.78 C ATOM 914 O SER A 56 -15.456 -8.571 6.029 1.00 1.00 O ATOM 915 CB SER A 56 -17.517 -6.380 5.099 1.00 0.95 C ATOM 916 OG SER A 56 -17.234 -5.988 6.436 1.00 1.66 O ATOM 0 H SER A 56 -17.473 -8.551 3.771 1.00 0.74 H new ATOM 0 HA SER A 56 -15.741 -6.158 3.896 1.00 0.79 H new ATOM 0 HB2 SER A 56 -17.880 -5.526 4.527 1.00 0.95 H new ATOM 0 HB3 SER A 56 -18.307 -7.131 5.088 1.00 0.95 H new ATOM 0 HG SER A 56 -16.656 -5.196 6.429 1.00 1.66 H new ATOM 922 N ILE A 57 -14.354 -6.669 5.939 1.00 0.71 N ATOM 923 CA ILE A 57 -13.402 -7.108 6.998 1.00 0.74 C ATOM 924 C ILE A 57 -13.718 -6.370 8.301 1.00 0.86 C ATOM 925 O ILE A 57 -13.272 -6.752 9.365 1.00 1.48 O ATOM 926 CB ILE A 57 -11.971 -6.776 6.566 1.00 0.77 C ATOM 927 CG1 ILE A 57 -11.639 -7.532 5.265 1.00 0.90 C ATOM 928 CG2 ILE A 57 -10.994 -7.169 7.680 1.00 0.83 C ATOM 929 CD1 ILE A 57 -11.020 -8.902 5.577 1.00 0.74 C ATOM 0 H ILE A 57 -14.189 -5.732 5.570 1.00 0.71 H new ATOM 0 HA ILE A 57 -13.499 -8.183 7.151 1.00 0.74 H new ATOM 0 HB ILE A 57 -11.880 -5.705 6.383 1.00 0.77 H new ATOM 0 HG12 ILE A 57 -12.545 -7.663 4.673 1.00 0.90 H new ATOM 0 HG13 ILE A 57 -10.947 -6.943 4.663 1.00 0.90 H new ATOM 0 HG21 ILE A 57 -9.976 -6.932 7.371 1.00 0.83 H new ATOM 0 HG22 ILE A 57 -11.236 -6.616 8.588 1.00 0.83 H new ATOM 0 HG23 ILE A 57 -11.075 -8.239 7.874 1.00 0.83 H new ATOM 0 HD11 ILE A 57 -10.793 -9.419 4.645 1.00 0.74 H new ATOM 0 HD12 ILE A 57 -10.102 -8.765 6.149 1.00 0.74 H new ATOM 0 HD13 ILE A 57 -11.725 -9.496 6.159 1.00 0.74 H new ATOM 941 N GLU A 58 -14.481 -5.312 8.227 1.00 1.14 N ATOM 942 CA GLU A 58 -14.819 -4.550 9.464 1.00 1.26 C ATOM 943 C GLU A 58 -16.298 -4.153 9.447 1.00 1.33 C ATOM 944 O GLU A 58 -16.916 -4.060 8.405 1.00 1.84 O ATOM 945 CB GLU A 58 -13.955 -3.287 9.529 1.00 1.71 C ATOM 946 CG GLU A 58 -13.512 -3.041 10.972 1.00 2.19 C ATOM 947 CD GLU A 58 -14.096 -1.716 11.467 1.00 3.01 C ATOM 948 OE1 GLU A 58 -15.241 -1.717 11.887 1.00 3.50 O ATOM 949 OE2 GLU A 58 -13.388 -0.724 11.417 1.00 3.64 O ATOM 0 H GLU A 58 -14.884 -4.943 7.366 1.00 1.14 H new ATOM 0 HA GLU A 58 -14.628 -5.176 10.336 1.00 1.26 H new ATOM 0 HB2 GLU A 58 -13.083 -3.397 8.884 1.00 1.71 H new ATOM 0 HB3 GLU A 58 -14.518 -2.430 9.160 1.00 1.71 H new ATOM 0 HG2 GLU A 58 -13.846 -3.859 11.610 1.00 2.19 H new ATOM 0 HG3 GLU A 58 -12.424 -3.015 11.030 1.00 2.19 H new ATOM 956 N LEU A 59 -16.869 -3.916 10.599 1.00 1.59 N ATOM 957 CA LEU A 59 -18.307 -3.522 10.662 1.00 1.97 C ATOM 958 C LEU A 59 -19.170 -4.605 10.012 1.00 2.08 C ATOM 959 O LEU A 59 -18.709 -5.372 9.190 1.00 2.75 O ATOM 960 CB LEU A 59 -18.506 -2.198 9.919 1.00 2.88 C ATOM 961 CG LEU A 59 -19.265 -1.213 10.813 1.00 3.53 C ATOM 962 CD1 LEU A 59 -20.700 -1.703 11.013 1.00 4.42 C ATOM 963 CD2 LEU A 59 -18.567 -1.114 12.172 1.00 4.31 C ATOM 0 H LEU A 59 -16.399 -3.979 11.502 1.00 1.59 H new ATOM 0 HA LEU A 59 -18.602 -3.405 11.705 1.00 1.97 H new ATOM 0 HB2 LEU A 59 -17.540 -1.779 9.638 1.00 2.88 H new ATOM 0 HB3 LEU A 59 -19.060 -2.368 8.996 1.00 2.88 H new ATOM 0 HG LEU A 59 -19.279 -0.232 10.338 1.00 3.53 H new ATOM 0 HD11 LEU A 59 -21.239 -1.001 11.649 1.00 4.42 H new ATOM 0 HD12 LEU A 59 -21.199 -1.773 10.046 1.00 4.42 H new ATOM 0 HD13 LEU A 59 -20.687 -2.685 11.486 1.00 4.42 H new ATOM 0 HD21 LEU A 59 -19.107 -0.413 12.808 1.00 4.31 H new ATOM 0 HD22 LEU A 59 -18.551 -2.096 12.645 1.00 4.31 H new ATOM 0 HD23 LEU A 59 -17.545 -0.763 12.031 1.00 4.31 H new ATOM 975 N ASP A 60 -20.423 -4.672 10.375 1.00 2.17 N ATOM 976 CA ASP A 60 -21.321 -5.703 9.782 1.00 2.84 C ATOM 977 C ASP A 60 -22.343 -5.023 8.868 1.00 2.85 C ATOM 978 O ASP A 60 -23.465 -5.469 8.735 1.00 3.08 O ATOM 979 CB ASP A 60 -22.055 -6.445 10.902 1.00 3.70 C ATOM 980 CG ASP A 60 -21.774 -7.945 10.790 1.00 4.01 C ATOM 981 OD1 ASP A 60 -20.616 -8.301 10.646 1.00 4.46 O ATOM 982 OD2 ASP A 60 -22.721 -8.711 10.851 1.00 4.24 O ATOM 0 H ASP A 60 -20.863 -4.056 11.058 1.00 2.17 H new ATOM 0 HA ASP A 60 -20.729 -6.412 9.203 1.00 2.84 H new ATOM 0 HB2 ASP A 60 -21.728 -6.074 11.873 1.00 3.70 H new ATOM 0 HB3 ASP A 60 -23.127 -6.259 10.834 1.00 3.70 H new ATOM 987 N SER A 61 -21.964 -3.946 8.237 1.00 3.19 N ATOM 988 CA SER A 61 -22.915 -3.240 7.332 1.00 3.52 C ATOM 989 C SER A 61 -22.718 -3.737 5.900 1.00 3.12 C ATOM 990 O SER A 61 -23.205 -3.148 4.956 1.00 3.21 O ATOM 991 CB SER A 61 -22.651 -1.735 7.390 1.00 4.11 C ATOM 992 OG SER A 61 -22.669 -1.307 8.745 1.00 4.86 O ATOM 0 H SER A 61 -21.038 -3.524 8.309 1.00 3.19 H new ATOM 0 HA SER A 61 -23.938 -3.442 7.650 1.00 3.52 H new ATOM 0 HB2 SER A 61 -21.687 -1.506 6.937 1.00 4.11 H new ATOM 0 HB3 SER A 61 -23.408 -1.199 6.817 1.00 4.11 H new ATOM 0 HG SER A 61 -22.498 -0.343 8.786 1.00 4.86 H new ATOM 998 N HIS A 62 -22.006 -4.817 5.730 1.00 3.13 N ATOM 999 CA HIS A 62 -21.778 -5.351 4.359 1.00 2.94 C ATOM 1000 C HIS A 62 -22.418 -6.736 4.243 1.00 2.42 C ATOM 1001 O HIS A 62 -22.776 -7.342 5.232 1.00 2.73 O ATOM 1002 CB HIS A 62 -20.275 -5.452 4.099 1.00 3.66 C ATOM 1003 CG HIS A 62 -19.674 -4.074 4.129 1.00 4.62 C ATOM 1004 ND1 HIS A 62 -18.828 -3.657 5.145 1.00 5.42 N ATOM 1005 CD2 HIS A 62 -19.790 -3.005 3.276 1.00 5.31 C ATOM 1006 CE1 HIS A 62 -18.472 -2.386 4.880 1.00 6.37 C ATOM 1007 NE2 HIS A 62 -19.031 -1.941 3.752 1.00 6.37 N ATOM 0 H HIS A 62 -21.572 -5.353 6.482 1.00 3.13 H new ATOM 0 HA HIS A 62 -22.227 -4.683 3.623 1.00 2.94 H new ATOM 0 HB2 HIS A 62 -19.805 -6.083 4.853 1.00 3.66 H new ATOM 0 HB3 HIS A 62 -20.092 -5.921 3.132 1.00 3.66 H new ATOM 0 HD1 HIS A 62 -18.530 -4.212 5.947 1.00 5.42 H new ATOM 0 HD2 HIS A 62 -20.381 -2.992 2.372 1.00 5.31 H new ATOM 0 HE1 HIS A 62 -17.815 -1.798 5.504 1.00 6.37 H new ATOM 1015 N LEU A 63 -22.567 -7.234 3.042 1.00 2.25 N ATOM 1016 CA LEU A 63 -23.189 -8.579 2.850 1.00 2.16 C ATOM 1017 C LEU A 63 -24.711 -8.438 2.915 1.00 2.11 C ATOM 1018 O LEU A 63 -25.399 -8.551 1.919 1.00 2.50 O ATOM 1019 CB LEU A 63 -22.714 -9.537 3.952 1.00 2.58 C ATOM 1020 CG LEU A 63 -22.901 -11.005 3.527 1.00 3.27 C ATOM 1021 CD1 LEU A 63 -24.084 -11.148 2.561 1.00 4.00 C ATOM 1022 CD2 LEU A 63 -21.623 -11.499 2.845 1.00 3.80 C ATOM 0 H LEU A 63 -22.283 -6.765 2.182 1.00 2.25 H new ATOM 0 HA LEU A 63 -22.895 -8.981 1.880 1.00 2.16 H new ATOM 0 HB2 LEU A 63 -21.663 -9.350 4.173 1.00 2.58 H new ATOM 0 HB3 LEU A 63 -23.271 -9.347 4.869 1.00 2.58 H new ATOM 0 HG LEU A 63 -23.107 -11.602 4.415 1.00 3.27 H new ATOM 0 HD11 LEU A 63 -24.196 -12.194 2.275 1.00 4.00 H new ATOM 0 HD12 LEU A 63 -24.996 -10.806 3.050 1.00 4.00 H new ATOM 0 HD13 LEU A 63 -23.902 -10.546 1.671 1.00 4.00 H new ATOM 0 HD21 LEU A 63 -21.751 -12.538 2.542 1.00 3.80 H new ATOM 0 HD22 LEU A 63 -21.420 -10.887 1.966 1.00 3.80 H new ATOM 0 HD23 LEU A 63 -20.787 -11.424 3.540 1.00 3.80 H new ATOM 1034 N PHE A 64 -25.241 -8.186 4.079 1.00 2.36 N ATOM 1035 CA PHE A 64 -26.719 -8.030 4.211 1.00 2.86 C ATOM 1036 C PHE A 64 -27.118 -6.646 3.694 1.00 2.74 C ATOM 1037 O PHE A 64 -28.284 -6.329 3.573 1.00 3.25 O ATOM 1038 CB PHE A 64 -27.139 -8.165 5.684 1.00 3.09 C ATOM 1039 CG PHE A 64 -26.094 -8.944 6.448 1.00 2.81 C ATOM 1040 CD1 PHE A 64 -25.592 -10.140 5.919 1.00 2.82 C ATOM 1041 CD2 PHE A 64 -25.613 -8.462 7.673 1.00 3.05 C ATOM 1042 CE1 PHE A 64 -24.608 -10.855 6.614 1.00 2.65 C ATOM 1043 CE2 PHE A 64 -24.632 -9.180 8.370 1.00 2.98 C ATOM 1044 CZ PHE A 64 -24.129 -10.375 7.839 1.00 2.56 C ATOM 0 H PHE A 64 -24.715 -8.081 4.947 1.00 2.36 H new ATOM 0 HA PHE A 64 -27.217 -8.807 3.631 1.00 2.86 H new ATOM 0 HB2 PHE A 64 -27.265 -7.177 6.127 1.00 3.09 H new ATOM 0 HB3 PHE A 64 -28.103 -8.670 5.752 1.00 3.09 H new ATOM 0 HD1 PHE A 64 -25.964 -10.511 4.975 1.00 2.82 H new ATOM 0 HD2 PHE A 64 -25.998 -7.538 8.079 1.00 3.05 H new ATOM 0 HE1 PHE A 64 -24.219 -11.776 6.205 1.00 2.65 H new ATOM 0 HE2 PHE A 64 -24.264 -8.812 9.316 1.00 2.98 H new ATOM 0 HZ PHE A 64 -23.371 -10.927 8.375 1.00 2.56 H new ATOM 1054 N ASN A 65 -26.152 -5.819 3.389 1.00 2.34 N ATOM 1055 CA ASN A 65 -26.466 -4.457 2.879 1.00 2.40 C ATOM 1056 C ASN A 65 -26.396 -4.458 1.351 1.00 2.23 C ATOM 1057 O ASN A 65 -27.177 -3.806 0.686 1.00 2.48 O ATOM 1058 CB ASN A 65 -25.449 -3.460 3.438 1.00 2.48 C ATOM 1059 CG ASN A 65 -26.096 -2.079 3.555 1.00 3.02 C ATOM 1060 OD1 ASN A 65 -27.180 -1.858 3.052 1.00 3.16 O ATOM 1061 ND2 ASN A 65 -25.473 -1.133 4.202 1.00 3.76 N ATOM 0 H ASN A 65 -25.158 -6.031 3.472 1.00 2.34 H new ATOM 0 HA ASN A 65 -27.469 -4.169 3.195 1.00 2.40 H new ATOM 0 HB2 ASN A 65 -25.098 -3.792 4.415 1.00 2.48 H new ATOM 0 HB3 ASN A 65 -24.577 -3.410 2.786 1.00 2.48 H new ATOM 0 HD21 ASN A 65 -25.896 -0.208 4.286 1.00 3.76 H new ATOM 0 HD22 ASN A 65 -24.563 -1.318 4.624 1.00 3.76 H new ATOM 1068 N LEU A 66 -25.468 -5.186 0.787 1.00 1.99 N ATOM 1069 CA LEU A 66 -25.358 -5.224 -0.698 1.00 2.03 C ATOM 1070 C LEU A 66 -26.758 -5.384 -1.296 1.00 2.60 C ATOM 1071 O LEU A 66 -27.385 -6.416 -1.165 1.00 3.03 O ATOM 1072 CB LEU A 66 -24.474 -6.404 -1.123 1.00 1.86 C ATOM 1073 CG LEU A 66 -23.974 -6.175 -2.549 1.00 2.00 C ATOM 1074 CD1 LEU A 66 -22.684 -6.965 -2.771 1.00 2.26 C ATOM 1075 CD2 LEU A 66 -25.036 -6.649 -3.543 1.00 2.85 C ATOM 0 H LEU A 66 -24.785 -5.753 1.289 1.00 1.99 H new ATOM 0 HA LEU A 66 -24.908 -4.299 -1.057 1.00 2.03 H new ATOM 0 HB2 LEU A 66 -23.629 -6.504 -0.441 1.00 1.86 H new ATOM 0 HB3 LEU A 66 -25.039 -7.334 -1.069 1.00 1.86 H new ATOM 0 HG LEU A 66 -23.781 -5.113 -2.699 1.00 2.00 H new ATOM 0 HD11 LEU A 66 -22.328 -6.802 -3.788 1.00 2.26 H new ATOM 0 HD12 LEU A 66 -21.926 -6.630 -2.063 1.00 2.26 H new ATOM 0 HD13 LEU A 66 -22.877 -8.027 -2.621 1.00 2.26 H new ATOM 0 HD21 LEU A 66 -24.681 -6.486 -4.560 1.00 2.85 H new ATOM 0 HD22 LEU A 66 -25.228 -7.711 -3.391 1.00 2.85 H new ATOM 0 HD23 LEU A 66 -25.957 -6.088 -3.386 1.00 2.85 H new ATOM 1087 N SER A 67 -27.254 -4.366 -1.946 1.00 3.08 N ATOM 1088 CA SER A 67 -28.616 -4.451 -2.549 1.00 3.74 C ATOM 1089 C SER A 67 -28.709 -5.673 -3.466 1.00 4.04 C ATOM 1090 O SER A 67 -28.459 -5.588 -4.651 1.00 4.48 O ATOM 1091 CB SER A 67 -28.892 -3.185 -3.360 1.00 4.42 C ATOM 1092 OG SER A 67 -29.568 -2.241 -2.540 1.00 4.86 O ATOM 0 H SER A 67 -26.774 -3.477 -2.086 1.00 3.08 H new ATOM 0 HA SER A 67 -29.354 -4.546 -1.752 1.00 3.74 H new ATOM 0 HB2 SER A 67 -27.956 -2.762 -3.726 1.00 4.42 H new ATOM 0 HB3 SER A 67 -29.497 -3.424 -4.234 1.00 4.42 H new ATOM 0 HG SER A 67 -29.745 -1.427 -3.056 1.00 4.86 H new ATOM 1098 N SER A 68 -29.075 -6.806 -2.923 1.00 4.30 N ATOM 1099 CA SER A 68 -29.196 -8.043 -3.750 1.00 5.01 C ATOM 1100 C SER A 68 -28.059 -8.116 -4.773 1.00 4.69 C ATOM 1101 O SER A 68 -28.132 -7.536 -5.838 1.00 4.92 O ATOM 1102 CB SER A 68 -30.536 -8.033 -4.486 1.00 6.08 C ATOM 1103 OG SER A 68 -31.531 -8.618 -3.657 1.00 6.64 O ATOM 0 H SER A 68 -29.297 -6.927 -1.935 1.00 4.30 H new ATOM 0 HA SER A 68 -29.138 -8.911 -3.093 1.00 5.01 H new ATOM 0 HB2 SER A 68 -30.815 -7.011 -4.743 1.00 6.08 H new ATOM 0 HB3 SER A 68 -30.454 -8.586 -5.422 1.00 6.08 H new ATOM 0 HG SER A 68 -32.392 -8.612 -4.125 1.00 6.64 H new ATOM 1109 N GLU A 69 -27.011 -8.829 -4.459 1.00 4.48 N ATOM 1110 CA GLU A 69 -25.872 -8.944 -5.415 1.00 4.37 C ATOM 1111 C GLU A 69 -26.418 -9.141 -6.832 1.00 4.19 C ATOM 1112 O GLU A 69 -26.977 -10.171 -7.152 1.00 4.22 O ATOM 1113 CB GLU A 69 -25.006 -10.152 -5.030 1.00 4.46 C ATOM 1114 CG GLU A 69 -23.556 -9.710 -4.791 1.00 4.16 C ATOM 1115 CD GLU A 69 -22.607 -10.838 -5.201 1.00 5.04 C ATOM 1116 OE1 GLU A 69 -23.050 -11.735 -5.897 1.00 5.64 O ATOM 1117 OE2 GLU A 69 -21.452 -10.781 -4.817 1.00 5.44 O ATOM 0 H GLU A 69 -26.894 -9.337 -3.582 1.00 4.48 H new ATOM 0 HA GLU A 69 -25.270 -8.036 -5.379 1.00 4.37 H new ATOM 0 HB2 GLU A 69 -25.404 -10.622 -4.130 1.00 4.46 H new ATOM 0 HB3 GLU A 69 -25.040 -10.900 -5.822 1.00 4.46 H new ATOM 0 HG2 GLU A 69 -23.339 -8.810 -5.366 1.00 4.16 H new ATOM 0 HG3 GLU A 69 -23.409 -9.460 -3.740 1.00 4.16 H new ATOM 1124 N LYS A 70 -26.256 -8.164 -7.689 1.00 4.42 N ATOM 1125 CA LYS A 70 -26.764 -8.306 -9.086 1.00 4.53 C ATOM 1126 C LYS A 70 -26.078 -9.504 -9.751 1.00 3.80 C ATOM 1127 O LYS A 70 -26.471 -9.954 -10.808 1.00 3.99 O ATOM 1128 CB LYS A 70 -26.455 -7.034 -9.879 1.00 5.56 C ATOM 1129 CG LYS A 70 -27.193 -7.078 -11.219 1.00 6.21 C ATOM 1130 CD LYS A 70 -28.348 -6.074 -11.204 1.00 6.92 C ATOM 1131 CE LYS A 70 -29.665 -6.811 -10.950 1.00 7.46 C ATOM 1132 NZ LYS A 70 -29.989 -7.670 -12.125 1.00 7.99 N ATOM 0 H LYS A 70 -25.796 -7.278 -7.482 1.00 4.42 H new ATOM 0 HA LYS A 70 -27.842 -8.463 -9.068 1.00 4.53 H new ATOM 0 HB2 LYS A 70 -26.761 -6.155 -9.311 1.00 5.56 H new ATOM 0 HB3 LYS A 70 -25.381 -6.948 -10.045 1.00 5.56 H new ATOM 0 HG2 LYS A 70 -26.505 -6.844 -12.032 1.00 6.21 H new ATOM 0 HG3 LYS A 70 -27.574 -8.083 -11.403 1.00 6.21 H new ATOM 0 HD2 LYS A 70 -28.183 -5.326 -10.429 1.00 6.92 H new ATOM 0 HD3 LYS A 70 -28.394 -5.543 -12.155 1.00 6.92 H new ATOM 0 HE2 LYS A 70 -29.585 -7.422 -10.051 1.00 7.46 H new ATOM 0 HE3 LYS A 70 -30.468 -6.094 -10.778 1.00 7.46 H new ATOM 0 HZ1 LYS A 70 -31.021 -7.732 -12.236 1.00 7.99 H new ATOM 0 HZ2 LYS A 70 -29.573 -7.256 -12.983 1.00 7.99 H new ATOM 0 HZ3 LYS A 70 -29.599 -8.623 -11.976 1.00 7.99 H new ATOM 1146 N LEU A 71 -25.054 -10.022 -9.128 1.00 3.47 N ATOM 1147 CA LEU A 71 -24.321 -11.192 -9.689 1.00 3.52 C ATOM 1148 C LEU A 71 -25.071 -12.479 -9.351 1.00 3.70 C ATOM 1149 O LEU A 71 -24.466 -13.506 -9.114 1.00 3.82 O ATOM 1150 CB LEU A 71 -22.951 -11.265 -9.018 1.00 3.30 C ATOM 1151 CG LEU A 71 -22.268 -9.899 -9.075 1.00 2.73 C ATOM 1152 CD1 LEU A 71 -22.577 -9.120 -7.795 1.00 2.64 C ATOM 1153 CD2 LEU A 71 -20.758 -10.095 -9.193 1.00 2.93 C ATOM 0 H LEU A 71 -24.689 -9.678 -8.240 1.00 3.47 H new ATOM 0 HA LEU A 71 -24.232 -11.082 -10.770 1.00 3.52 H new ATOM 0 HB2 LEU A 71 -23.061 -11.583 -7.981 1.00 3.30 H new ATOM 0 HB3 LEU A 71 -22.332 -12.011 -9.516 1.00 3.30 H new ATOM 0 HG LEU A 71 -22.636 -9.344 -9.938 1.00 2.73 H new ATOM 0 HD11 LEU A 71 -22.090 -8.146 -7.835 1.00 2.64 H new ATOM 0 HD12 LEU A 71 -23.655 -8.983 -7.703 1.00 2.64 H new ATOM 0 HD13 LEU A 71 -22.207 -9.675 -6.933 1.00 2.64 H new ATOM 0 HD21 LEU A 71 -20.267 -9.123 -9.234 1.00 2.93 H new ATOM 0 HD22 LEU A 71 -20.394 -10.649 -8.328 1.00 2.93 H new ATOM 0 HD23 LEU A 71 -20.534 -10.653 -10.102 1.00 2.93 H new ATOM 1165 N LYS A 72 -26.373 -12.446 -9.301 1.00 4.26 N ATOM 1166 CA LYS A 72 -27.112 -13.681 -8.949 1.00 4.91 C ATOM 1167 C LYS A 72 -26.730 -14.060 -7.514 1.00 4.85 C ATOM 1168 O LYS A 72 -27.035 -15.138 -7.043 1.00 5.62 O ATOM 1169 CB LYS A 72 -26.717 -14.810 -9.903 1.00 5.75 C ATOM 1170 CG LYS A 72 -27.956 -15.632 -10.265 1.00 6.28 C ATOM 1171 CD LYS A 72 -28.750 -14.908 -11.355 1.00 6.86 C ATOM 1172 CE LYS A 72 -30.190 -15.425 -11.367 1.00 7.24 C ATOM 1173 NZ LYS A 72 -31.121 -14.294 -11.640 1.00 8.00 N ATOM 0 H LYS A 72 -26.949 -11.625 -9.487 1.00 4.26 H new ATOM 0 HA LYS A 72 -28.187 -13.519 -9.029 1.00 4.91 H new ATOM 0 HB2 LYS A 72 -26.266 -14.397 -10.805 1.00 5.75 H new ATOM 0 HB3 LYS A 72 -25.968 -15.449 -9.436 1.00 5.75 H new ATOM 0 HG2 LYS A 72 -27.660 -16.622 -10.613 1.00 6.28 H new ATOM 0 HG3 LYS A 72 -28.579 -15.778 -9.383 1.00 6.28 H new ATOM 0 HD2 LYS A 72 -28.740 -13.833 -11.174 1.00 6.86 H new ATOM 0 HD3 LYS A 72 -28.286 -15.072 -12.327 1.00 6.86 H new ATOM 0 HE2 LYS A 72 -30.305 -16.196 -12.129 1.00 7.24 H new ATOM 0 HE3 LYS A 72 -30.431 -15.885 -10.409 1.00 7.24 H new ATOM 0 HZ1 LYS A 72 -32.100 -14.645 -11.648 1.00 8.00 H new ATOM 0 HZ2 LYS A 72 -31.018 -13.573 -10.898 1.00 8.00 H new ATOM 0 HZ3 LYS A 72 -30.896 -13.874 -12.565 1.00 8.00 H new ATOM 1187 N LEU A 73 -26.059 -13.163 -6.820 1.00 4.23 N ATOM 1188 CA LEU A 73 -25.638 -13.428 -5.418 1.00 4.57 C ATOM 1189 C LEU A 73 -25.263 -14.902 -5.253 1.00 4.27 C ATOM 1190 O LEU A 73 -25.902 -15.656 -4.548 1.00 4.57 O ATOM 1191 CB LEU A 73 -26.777 -13.033 -4.487 1.00 5.00 C ATOM 1192 CG LEU A 73 -26.589 -13.647 -3.092 1.00 5.21 C ATOM 1193 CD1 LEU A 73 -25.106 -13.642 -2.705 1.00 5.30 C ATOM 1194 CD2 LEU A 73 -27.375 -12.821 -2.071 1.00 5.60 C ATOM 0 H LEU A 73 -25.786 -12.248 -7.179 1.00 4.23 H new ATOM 0 HA LEU A 73 -24.757 -12.838 -5.167 1.00 4.57 H new ATOM 0 HB2 LEU A 73 -26.825 -11.947 -4.406 1.00 5.00 H new ATOM 0 HB3 LEU A 73 -27.726 -13.363 -4.908 1.00 5.00 H new ATOM 0 HG LEU A 73 -26.951 -14.675 -3.104 1.00 5.21 H new ATOM 0 HD11 LEU A 73 -24.987 -14.080 -1.714 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -24.539 -14.226 -3.430 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -24.736 -12.617 -2.695 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -27.246 -13.252 -1.078 1.00 5.60 H new ATOM 0 HD22 LEU A 73 -27.007 -11.795 -2.072 1.00 5.60 H new ATOM 0 HD23 LEU A 73 -28.433 -12.827 -2.335 1.00 5.60 H new ATOM 1206 N ASN A 74 -24.216 -15.304 -5.910 1.00 4.03 N ATOM 1207 CA ASN A 74 -23.751 -16.713 -5.826 1.00 3.91 C ATOM 1208 C ASN A 74 -22.246 -16.716 -6.085 1.00 3.13 C ATOM 1209 O ASN A 74 -21.694 -17.648 -6.636 1.00 3.40 O ATOM 1210 CB ASN A 74 -24.464 -17.554 -6.889 1.00 4.43 C ATOM 1211 CG ASN A 74 -24.965 -18.857 -6.263 1.00 5.05 C ATOM 1212 OD1 ASN A 74 -25.968 -18.869 -5.578 1.00 5.54 O ATOM 1213 ND2 ASN A 74 -24.305 -19.963 -6.473 1.00 5.45 N ATOM 0 H ASN A 74 -23.652 -14.705 -6.513 1.00 4.03 H new ATOM 0 HA ASN A 74 -23.972 -17.136 -4.846 1.00 3.91 H new ATOM 0 HB2 ASN A 74 -25.301 -16.995 -7.308 1.00 4.43 H new ATOM 0 HB3 ASN A 74 -23.783 -17.772 -7.711 1.00 4.43 H new ATOM 0 HD21 ASN A 74 -24.631 -20.838 -6.062 1.00 5.45 H new ATOM 0 HD22 ASN A 74 -23.463 -19.953 -7.048 1.00 5.45 H new ATOM 1220 N THR A 75 -21.585 -15.659 -5.695 1.00 2.59 N ATOM 1221 CA THR A 75 -20.117 -15.560 -5.913 1.00 2.14 C ATOM 1222 C THR A 75 -19.385 -15.548 -4.561 1.00 1.84 C ATOM 1223 O THR A 75 -19.612 -16.400 -3.725 1.00 2.24 O ATOM 1224 CB THR A 75 -19.830 -14.274 -6.690 1.00 2.11 C ATOM 1225 OG1 THR A 75 -20.059 -13.151 -5.849 1.00 2.33 O ATOM 1226 CG2 THR A 75 -20.760 -14.201 -7.902 1.00 2.97 C ATOM 0 H THR A 75 -22.005 -14.854 -5.231 1.00 2.59 H new ATOM 0 HA THR A 75 -19.762 -16.419 -6.482 1.00 2.14 H new ATOM 0 HB THR A 75 -18.792 -14.271 -7.023 1.00 2.11 H new ATOM 0 HG1 THR A 75 -19.306 -12.528 -5.923 1.00 2.33 H new ATOM 0 HG21 THR A 75 -20.560 -13.286 -8.460 1.00 2.97 H new ATOM 0 HG22 THR A 75 -20.587 -15.063 -8.546 1.00 2.97 H new ATOM 0 HG23 THR A 75 -21.797 -14.201 -7.566 1.00 2.97 H new ATOM 1234 N ARG A 76 -18.503 -14.604 -4.333 1.00 1.47 N ATOM 1235 CA ARG A 76 -17.773 -14.579 -3.032 1.00 1.70 C ATOM 1236 C ARG A 76 -18.267 -13.429 -2.146 1.00 1.44 C ATOM 1237 O ARG A 76 -17.636 -12.398 -2.046 1.00 1.62 O ATOM 1238 CB ARG A 76 -16.275 -14.406 -3.296 1.00 2.12 C ATOM 1239 CG ARG A 76 -15.900 -15.134 -4.588 1.00 2.19 C ATOM 1240 CD ARG A 76 -16.422 -16.569 -4.525 1.00 2.98 C ATOM 1241 NE ARG A 76 -15.282 -17.519 -4.646 1.00 3.45 N ATOM 1242 CZ ARG A 76 -15.509 -18.800 -4.731 1.00 4.24 C ATOM 1243 NH1 ARG A 76 -16.066 -19.293 -5.803 1.00 4.63 N ATOM 1244 NH2 ARG A 76 -15.182 -19.587 -3.743 1.00 5.00 N ATOM 0 H ARG A 76 -18.261 -13.858 -4.986 1.00 1.47 H new ATOM 0 HA ARG A 76 -17.959 -15.520 -2.513 1.00 1.70 H new ATOM 0 HB2 ARG A 76 -16.029 -13.347 -3.377 1.00 2.12 H new ATOM 0 HB3 ARG A 76 -15.699 -14.804 -2.461 1.00 2.12 H new ATOM 0 HG2 ARG A 76 -16.326 -14.617 -5.448 1.00 2.19 H new ATOM 0 HG3 ARG A 76 -14.818 -15.133 -4.719 1.00 2.19 H new ATOM 0 HD2 ARG A 76 -16.949 -16.735 -3.585 1.00 2.98 H new ATOM 0 HD3 ARG A 76 -17.140 -16.742 -5.327 1.00 2.98 H new ATOM 0 HE ARG A 76 -14.324 -17.168 -4.662 1.00 3.45 H new ATOM 0 HH11 ARG A 76 -16.323 -18.676 -6.574 1.00 4.63 H new ATOM 0 HH12 ARG A 76 -16.244 -20.295 -5.870 1.00 4.63 H new ATOM 0 HH21 ARG A 76 -14.749 -19.200 -2.905 1.00 5.00 H new ATOM 0 HH22 ARG A 76 -15.359 -20.589 -3.809 1.00 5.00 H new ATOM 1258 N VAL A 77 -19.383 -13.606 -1.490 1.00 1.28 N ATOM 1259 CA VAL A 77 -19.912 -12.533 -0.596 1.00 1.18 C ATOM 1260 C VAL A 77 -19.870 -13.056 0.845 1.00 1.14 C ATOM 1261 O VAL A 77 -20.590 -13.968 1.199 1.00 1.34 O ATOM 1262 CB VAL A 77 -21.353 -12.191 -0.994 1.00 1.30 C ATOM 1263 CG1 VAL A 77 -21.904 -11.106 -0.066 1.00 1.50 C ATOM 1264 CG2 VAL A 77 -21.369 -11.672 -2.432 1.00 1.48 C ATOM 0 H VAL A 77 -19.953 -14.450 -1.535 1.00 1.28 H new ATOM 0 HA VAL A 77 -19.309 -11.629 -0.684 1.00 1.18 H new ATOM 0 HB VAL A 77 -21.970 -13.086 -0.913 1.00 1.30 H new ATOM 0 HG11 VAL A 77 -22.928 -10.867 -0.353 1.00 1.50 H new ATOM 0 HG12 VAL A 77 -21.890 -11.466 0.963 1.00 1.50 H new ATOM 0 HG13 VAL A 77 -21.287 -10.211 -0.146 1.00 1.50 H new ATOM 0 HG21 VAL A 77 -22.392 -11.428 -2.719 1.00 1.48 H new ATOM 0 HG22 VAL A 77 -20.749 -10.779 -2.503 1.00 1.48 H new ATOM 0 HG23 VAL A 77 -20.978 -12.439 -3.100 1.00 1.48 H new ATOM 1274 N THR A 78 -19.021 -12.505 1.681 1.00 1.02 N ATOM 1275 CA THR A 78 -18.942 -13.011 3.087 1.00 1.08 C ATOM 1276 C THR A 78 -18.726 -11.864 4.085 1.00 1.03 C ATOM 1277 O THR A 78 -18.070 -10.883 3.798 1.00 1.12 O ATOM 1278 CB THR A 78 -17.762 -13.988 3.188 1.00 1.17 C ATOM 1279 OG1 THR A 78 -18.125 -15.229 2.600 1.00 1.47 O ATOM 1280 CG2 THR A 78 -17.383 -14.212 4.655 1.00 1.20 C ATOM 0 H THR A 78 -18.388 -11.738 1.454 1.00 1.02 H new ATOM 0 HA THR A 78 -19.883 -13.504 3.333 1.00 1.08 H new ATOM 0 HB THR A 78 -16.906 -13.565 2.661 1.00 1.17 H new ATOM 0 HG1 THR A 78 -17.372 -15.853 2.662 1.00 1.47 H new ATOM 0 HG21 THR A 78 -16.545 -14.907 4.712 1.00 1.20 H new ATOM 0 HG22 THR A 78 -17.098 -13.262 5.106 1.00 1.20 H new ATOM 0 HG23 THR A 78 -18.236 -14.627 5.192 1.00 1.20 H new ATOM 1288 N LEU A 79 -19.271 -12.005 5.269 1.00 1.09 N ATOM 1289 CA LEU A 79 -19.106 -10.960 6.317 1.00 1.09 C ATOM 1290 C LEU A 79 -18.202 -11.515 7.420 1.00 1.08 C ATOM 1291 O LEU A 79 -18.458 -12.571 7.965 1.00 1.36 O ATOM 1292 CB LEU A 79 -20.468 -10.611 6.919 1.00 1.25 C ATOM 1293 CG LEU A 79 -20.716 -9.109 6.795 1.00 1.78 C ATOM 1294 CD1 LEU A 79 -21.888 -8.707 7.688 1.00 2.61 C ATOM 1295 CD2 LEU A 79 -19.469 -8.334 7.229 1.00 2.48 C ATOM 0 H LEU A 79 -19.829 -12.810 5.553 1.00 1.09 H new ATOM 0 HA LEU A 79 -18.666 -10.065 5.877 1.00 1.09 H new ATOM 0 HB2 LEU A 79 -21.255 -11.163 6.406 1.00 1.25 H new ATOM 0 HB3 LEU A 79 -20.501 -10.909 7.967 1.00 1.25 H new ATOM 0 HG LEU A 79 -20.945 -8.875 5.755 1.00 1.78 H new ATOM 0 HD11 LEU A 79 -22.063 -7.635 7.598 1.00 2.61 H new ATOM 0 HD12 LEU A 79 -22.783 -9.248 7.380 1.00 2.61 H new ATOM 0 HD13 LEU A 79 -21.656 -8.951 8.725 1.00 2.61 H new ATOM 0 HD21 LEU A 79 -19.655 -7.264 7.137 1.00 2.48 H new ATOM 0 HD22 LEU A 79 -19.234 -8.574 8.266 1.00 2.48 H new ATOM 0 HD23 LEU A 79 -18.628 -8.612 6.593 1.00 2.48 H new ATOM 1307 N ILE A 80 -17.149 -10.824 7.756 1.00 0.98 N ATOM 1308 CA ILE A 80 -16.243 -11.336 8.823 1.00 1.02 C ATOM 1309 C ILE A 80 -16.560 -10.650 10.153 1.00 1.12 C ATOM 1310 O ILE A 80 -17.169 -9.600 10.192 1.00 1.23 O ATOM 1311 CB ILE A 80 -14.794 -11.055 8.435 1.00 1.01 C ATOM 1312 CG1 ILE A 80 -14.477 -11.792 7.132 1.00 1.10 C ATOM 1313 CG2 ILE A 80 -13.866 -11.550 9.544 1.00 1.30 C ATOM 1314 CD1 ILE A 80 -13.146 -11.293 6.573 1.00 1.00 C ATOM 0 H ILE A 80 -16.877 -9.933 7.342 1.00 0.98 H new ATOM 0 HA ILE A 80 -16.391 -12.410 8.934 1.00 1.02 H new ATOM 0 HB ILE A 80 -14.648 -9.984 8.296 1.00 1.01 H new ATOM 0 HG12 ILE A 80 -14.428 -12.866 7.312 1.00 1.10 H new ATOM 0 HG13 ILE A 80 -15.273 -11.627 6.406 1.00 1.10 H new ATOM 0 HG21 ILE A 80 -12.831 -11.350 9.268 1.00 1.30 H new ATOM 0 HG22 ILE A 80 -14.101 -11.031 10.473 1.00 1.30 H new ATOM 0 HG23 ILE A 80 -14.004 -12.622 9.682 1.00 1.30 H new ATOM 0 HD11 ILE A 80 -12.921 -11.819 5.645 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -13.212 -10.223 6.377 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -12.354 -11.481 7.298 1.00 1.00 H new ATOM 1326 N HIS A 81 -16.152 -11.240 11.244 1.00 1.21 N ATOM 1327 CA HIS A 81 -16.432 -10.624 12.571 1.00 1.45 C ATOM 1328 C HIS A 81 -15.212 -10.770 13.485 1.00 1.65 C ATOM 1329 O HIS A 81 -14.818 -11.863 13.840 1.00 2.31 O ATOM 1330 CB HIS A 81 -17.629 -11.327 13.214 1.00 1.68 C ATOM 1331 CG HIS A 81 -18.697 -11.551 12.179 1.00 1.85 C ATOM 1332 ND1 HIS A 81 -19.741 -10.660 11.990 1.00 2.41 N ATOM 1333 CD2 HIS A 81 -18.895 -12.559 11.268 1.00 2.37 C ATOM 1334 CE1 HIS A 81 -20.513 -11.144 10.999 1.00 3.06 C ATOM 1335 NE2 HIS A 81 -20.042 -12.300 10.524 1.00 3.09 N ATOM 0 H HIS A 81 -15.638 -12.120 11.273 1.00 1.21 H new ATOM 0 HA HIS A 81 -16.653 -9.566 12.433 1.00 1.45 H new ATOM 0 HB2 HIS A 81 -17.317 -12.280 13.642 1.00 1.68 H new ATOM 0 HB3 HIS A 81 -18.022 -10.723 14.032 1.00 1.68 H new ATOM 0 HD2 HIS A 81 -18.257 -13.422 11.147 1.00 2.37 H new ATOM 0 HE1 HIS A 81 -21.405 -10.657 10.633 1.00 3.06 H new ATOM 0 HE2 HIS A 81 -20.438 -12.870 9.777 1.00 3.09 H new ATOM 1343 N GLN A 82 -14.619 -9.673 13.874 1.00 1.78 N ATOM 1344 CA GLN A 82 -13.429 -9.732 14.775 1.00 2.00 C ATOM 1345 C GLN A 82 -12.172 -10.097 13.981 1.00 1.79 C ATOM 1346 O GLN A 82 -12.085 -9.860 12.794 1.00 1.96 O ATOM 1347 CB GLN A 82 -13.662 -10.777 15.871 1.00 2.47 C ATOM 1348 CG GLN A 82 -15.094 -10.660 16.402 1.00 2.88 C ATOM 1349 CD GLN A 82 -15.205 -11.394 17.739 1.00 3.30 C ATOM 1350 OE1 GLN A 82 -14.762 -10.899 18.756 1.00 3.87 O ATOM 1351 NE2 GLN A 82 -15.784 -12.562 17.778 1.00 3.54 N ATOM 0 H GLN A 82 -14.909 -8.733 13.605 1.00 1.78 H new ATOM 0 HA GLN A 82 -13.287 -8.751 15.228 1.00 2.00 H new ATOM 0 HB2 GLN A 82 -13.492 -11.778 15.474 1.00 2.47 H new ATOM 0 HB3 GLN A 82 -12.950 -10.631 16.683 1.00 2.47 H new ATOM 0 HG2 GLN A 82 -15.362 -9.611 16.528 1.00 2.88 H new ATOM 0 HG3 GLN A 82 -15.795 -11.084 15.683 1.00 2.88 H new ATOM 0 HE21 GLN A 82 -16.155 -12.976 16.923 1.00 3.54 H new ATOM 0 HE22 GLN A 82 -15.865 -13.062 18.664 1.00 3.54 H new ATOM 1360 N ASP A 83 -11.199 -10.668 14.648 1.00 1.97 N ATOM 1361 CA ASP A 83 -9.919 -11.063 13.981 1.00 1.85 C ATOM 1362 C ASP A 83 -10.159 -11.463 12.523 1.00 1.30 C ATOM 1363 O ASP A 83 -11.127 -12.122 12.198 1.00 1.46 O ATOM 1364 CB ASP A 83 -9.315 -12.253 14.731 1.00 2.42 C ATOM 1365 CG ASP A 83 -8.987 -11.842 16.168 1.00 2.87 C ATOM 1366 OD1 ASP A 83 -9.430 -10.781 16.577 1.00 3.38 O ATOM 1367 OD2 ASP A 83 -8.299 -12.597 16.836 1.00 3.26 O ATOM 0 H ASP A 83 -11.239 -10.881 15.645 1.00 1.97 H new ATOM 0 HA ASP A 83 -9.240 -10.211 13.999 1.00 1.85 H new ATOM 0 HB2 ASP A 83 -10.015 -13.088 14.732 1.00 2.42 H new ATOM 0 HB3 ASP A 83 -8.412 -12.594 14.225 1.00 2.42 H new ATOM 1372 N ILE A 84 -9.275 -11.072 11.643 1.00 1.17 N ATOM 1373 CA ILE A 84 -9.437 -11.429 10.206 1.00 0.87 C ATOM 1374 C ILE A 84 -8.060 -11.781 9.617 1.00 0.82 C ATOM 1375 O ILE A 84 -7.502 -12.809 9.929 1.00 0.91 O ATOM 1376 CB ILE A 84 -10.053 -10.250 9.444 1.00 1.19 C ATOM 1377 CG1 ILE A 84 -11.460 -9.971 9.972 1.00 1.47 C ATOM 1378 CG2 ILE A 84 -10.140 -10.592 7.955 1.00 1.86 C ATOM 1379 CD1 ILE A 84 -11.516 -8.565 10.568 1.00 1.53 C ATOM 0 H ILE A 84 -8.446 -10.519 11.860 1.00 1.17 H new ATOM 0 HA ILE A 84 -10.101 -12.289 10.112 1.00 0.87 H new ATOM 0 HB ILE A 84 -9.427 -9.369 9.586 1.00 1.19 H new ATOM 0 HG12 ILE A 84 -12.187 -10.064 9.165 1.00 1.47 H new ATOM 0 HG13 ILE A 84 -11.728 -10.708 10.729 1.00 1.47 H new ATOM 0 HG21 ILE A 84 -10.578 -9.753 7.414 1.00 1.86 H new ATOM 0 HG22 ILE A 84 -9.140 -10.791 7.568 1.00 1.86 H new ATOM 0 HG23 ILE A 84 -10.764 -11.476 7.821 1.00 1.86 H new ATOM 0 HD11 ILE A 84 -12.520 -8.369 10.944 1.00 1.53 H new ATOM 0 HD12 ILE A 84 -10.801 -8.488 11.387 1.00 1.53 H new ATOM 0 HD13 ILE A 84 -11.267 -7.834 9.799 1.00 1.53 H new ATOM 1391 N LEU A 85 -7.513 -10.932 8.779 1.00 0.86 N ATOM 1392 CA LEU A 85 -6.177 -11.192 8.164 1.00 1.01 C ATOM 1393 C LEU A 85 -6.081 -12.639 7.645 1.00 1.11 C ATOM 1394 O LEU A 85 -6.302 -12.901 6.477 1.00 1.11 O ATOM 1395 CB LEU A 85 -5.068 -10.905 9.187 1.00 1.11 C ATOM 1396 CG LEU A 85 -5.561 -9.884 10.215 1.00 1.28 C ATOM 1397 CD1 LEU A 85 -4.424 -9.537 11.178 1.00 1.87 C ATOM 1398 CD2 LEU A 85 -6.021 -8.616 9.494 1.00 2.02 C ATOM 0 H LEU A 85 -7.946 -10.054 8.492 1.00 0.86 H new ATOM 0 HA LEU A 85 -6.050 -10.526 7.311 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -4.776 -11.828 9.689 1.00 1.11 H new ATOM 0 HB3 LEU A 85 -4.182 -10.524 8.679 1.00 1.11 H new ATOM 0 HG LEU A 85 -6.395 -10.308 10.775 1.00 1.28 H new ATOM 0 HD11 LEU A 85 -4.776 -8.810 11.910 1.00 1.87 H new ATOM 0 HD12 LEU A 85 -4.095 -10.440 11.693 1.00 1.87 H new ATOM 0 HD13 LEU A 85 -3.590 -9.114 10.619 1.00 1.87 H new ATOM 0 HD21 LEU A 85 -6.372 -7.888 10.226 1.00 2.02 H new ATOM 0 HD22 LEU A 85 -5.187 -8.193 8.934 1.00 2.02 H new ATOM 0 HD23 LEU A 85 -6.832 -8.861 8.808 1.00 2.02 H new ATOM 1410 N GLN A 86 -5.756 -13.580 8.490 1.00 1.34 N ATOM 1411 CA GLN A 86 -5.647 -14.997 8.030 1.00 1.57 C ATOM 1412 C GLN A 86 -7.041 -15.616 7.890 1.00 1.54 C ATOM 1413 O GLN A 86 -7.183 -16.800 7.659 1.00 1.83 O ATOM 1414 CB GLN A 86 -4.837 -15.799 9.050 1.00 2.02 C ATOM 1415 CG GLN A 86 -4.061 -16.904 8.331 1.00 2.31 C ATOM 1416 CD GLN A 86 -3.511 -17.892 9.361 1.00 2.83 C ATOM 1417 OE1 GLN A 86 -4.253 -18.664 9.936 1.00 3.41 O ATOM 1418 NE2 GLN A 86 -2.233 -17.900 9.621 1.00 2.99 N ATOM 0 H GLN A 86 -5.561 -13.430 9.480 1.00 1.34 H new ATOM 0 HA GLN A 86 -5.149 -15.019 7.061 1.00 1.57 H new ATOM 0 HB2 GLN A 86 -4.148 -15.142 9.580 1.00 2.02 H new ATOM 0 HB3 GLN A 86 -5.501 -16.234 9.797 1.00 2.02 H new ATOM 0 HG2 GLN A 86 -4.712 -17.421 7.626 1.00 2.31 H new ATOM 0 HG3 GLN A 86 -3.244 -16.472 7.753 1.00 2.31 H new ATOM 0 HE21 GLN A 86 -1.610 -17.252 9.138 1.00 2.99 H new ATOM 0 HE22 GLN A 86 -1.856 -18.554 10.307 1.00 2.99 H new ATOM 1427 N PHE A 87 -8.069 -14.827 8.026 1.00 1.34 N ATOM 1428 CA PHE A 87 -9.448 -15.371 7.898 1.00 1.54 C ATOM 1429 C PHE A 87 -9.984 -15.031 6.508 1.00 1.46 C ATOM 1430 O PHE A 87 -10.771 -15.758 5.935 1.00 1.90 O ATOM 1431 CB PHE A 87 -10.338 -14.734 8.970 1.00 1.74 C ATOM 1432 CG PHE A 87 -11.779 -15.140 8.766 1.00 1.19 C ATOM 1433 CD1 PHE A 87 -12.095 -16.299 8.044 1.00 1.74 C ATOM 1434 CD2 PHE A 87 -12.804 -14.349 9.302 1.00 1.61 C ATOM 1435 CE1 PHE A 87 -13.435 -16.665 7.858 1.00 2.06 C ATOM 1436 CE2 PHE A 87 -14.144 -14.716 9.115 1.00 1.96 C ATOM 1437 CZ PHE A 87 -14.459 -15.872 8.394 1.00 1.96 C ATOM 0 H PHE A 87 -8.013 -13.827 8.221 1.00 1.34 H new ATOM 0 HA PHE A 87 -9.443 -16.453 8.031 1.00 1.54 H new ATOM 0 HB2 PHE A 87 -10.003 -15.042 9.960 1.00 1.74 H new ATOM 0 HB3 PHE A 87 -10.250 -13.648 8.927 1.00 1.74 H new ATOM 0 HD1 PHE A 87 -11.306 -16.910 7.631 1.00 1.74 H new ATOM 0 HD2 PHE A 87 -12.562 -13.456 9.859 1.00 1.61 H new ATOM 0 HE1 PHE A 87 -13.679 -17.558 7.302 1.00 2.06 H new ATOM 0 HE2 PHE A 87 -14.933 -14.106 9.528 1.00 1.96 H new ATOM 0 HZ PHE A 87 -15.492 -16.154 8.250 1.00 1.96 H new ATOM 1447 N GLN A 88 -9.560 -13.927 5.959 1.00 1.30 N ATOM 1448 CA GLN A 88 -10.043 -13.540 4.607 1.00 1.42 C ATOM 1449 C GLN A 88 -8.923 -13.726 3.581 1.00 1.21 C ATOM 1450 O GLN A 88 -9.062 -14.480 2.640 1.00 1.69 O ATOM 1451 CB GLN A 88 -10.482 -12.075 4.621 1.00 1.56 C ATOM 1452 CG GLN A 88 -11.289 -11.776 3.357 1.00 2.24 C ATOM 1453 CD GLN A 88 -12.441 -12.775 3.237 1.00 3.18 C ATOM 1454 OE1 GLN A 88 -13.342 -12.782 4.052 1.00 3.79 O ATOM 1455 NE2 GLN A 88 -12.448 -13.629 2.252 1.00 3.87 N ATOM 0 H GLN A 88 -8.901 -13.278 6.388 1.00 1.30 H new ATOM 0 HA GLN A 88 -10.888 -14.172 4.335 1.00 1.42 H new ATOM 0 HB2 GLN A 88 -11.084 -11.872 5.507 1.00 1.56 H new ATOM 0 HB3 GLN A 88 -9.610 -11.423 4.672 1.00 1.56 H new ATOM 0 HG2 GLN A 88 -11.679 -10.759 3.394 1.00 2.24 H new ATOM 0 HG3 GLN A 88 -10.646 -11.839 2.479 1.00 2.24 H new ATOM 0 HE21 GLN A 88 -11.692 -13.624 1.567 1.00 3.87 H new ATOM 0 HE22 GLN A 88 -13.209 -14.302 2.166 1.00 3.87 H new ATOM 1464 N PHE A 89 -7.817 -13.043 3.754 1.00 0.89 N ATOM 1465 CA PHE A 89 -6.686 -13.174 2.783 1.00 0.96 C ATOM 1466 C PHE A 89 -6.541 -14.633 2.335 1.00 1.00 C ATOM 1467 O PHE A 89 -5.944 -15.438 3.023 1.00 1.49 O ATOM 1468 CB PHE A 89 -5.393 -12.698 3.449 1.00 1.44 C ATOM 1469 CG PHE A 89 -5.407 -11.189 3.504 1.00 1.21 C ATOM 1470 CD1 PHE A 89 -5.203 -10.442 2.336 1.00 1.69 C ATOM 1471 CD2 PHE A 89 -5.642 -10.536 4.719 1.00 1.62 C ATOM 1472 CE1 PHE A 89 -5.232 -9.042 2.387 1.00 1.68 C ATOM 1473 CE2 PHE A 89 -5.675 -9.138 4.770 1.00 1.61 C ATOM 1474 CZ PHE A 89 -5.470 -8.390 3.605 1.00 1.18 C ATOM 0 H PHE A 89 -7.649 -12.399 4.527 1.00 0.89 H new ATOM 0 HA PHE A 89 -6.890 -12.561 1.905 1.00 0.96 H new ATOM 0 HB2 PHE A 89 -5.310 -13.112 4.454 1.00 1.44 H new ATOM 0 HB3 PHE A 89 -4.527 -13.048 2.887 1.00 1.44 H new ATOM 0 HD1 PHE A 89 -5.024 -10.945 1.397 1.00 1.69 H new ATOM 0 HD2 PHE A 89 -5.798 -11.112 5.619 1.00 1.62 H new ATOM 0 HE1 PHE A 89 -5.071 -8.465 1.488 1.00 1.68 H new ATOM 0 HE2 PHE A 89 -5.859 -8.636 5.709 1.00 1.61 H new ATOM 0 HZ PHE A 89 -5.495 -7.311 3.644 1.00 1.18 H new ATOM 1484 N PRO A 90 -7.107 -14.927 1.188 1.00 0.98 N ATOM 1485 CA PRO A 90 -7.083 -16.270 0.595 1.00 1.32 C ATOM 1486 C PRO A 90 -5.796 -16.469 -0.213 1.00 0.98 C ATOM 1487 O PRO A 90 -4.819 -15.771 -0.028 1.00 1.15 O ATOM 1488 CB PRO A 90 -8.282 -16.299 -0.341 1.00 1.88 C ATOM 1489 CG PRO A 90 -8.388 -14.823 -0.793 1.00 1.84 C ATOM 1490 CD PRO A 90 -7.834 -13.942 0.355 1.00 1.30 C ATOM 0 HA PRO A 90 -7.119 -17.054 1.351 1.00 1.32 H new ATOM 0 HB2 PRO A 90 -8.123 -16.971 -1.184 1.00 1.88 H new ATOM 0 HB3 PRO A 90 -9.186 -16.634 0.168 1.00 1.88 H new ATOM 0 HG2 PRO A 90 -7.820 -14.661 -1.709 1.00 1.84 H new ATOM 0 HG3 PRO A 90 -9.424 -14.562 -1.010 1.00 1.84 H new ATOM 0 HD2 PRO A 90 -7.174 -13.158 -0.017 1.00 1.30 H new ATOM 0 HD3 PRO A 90 -8.632 -13.450 0.911 1.00 1.30 H new ATOM 1498 N ASN A 91 -5.795 -17.416 -1.115 1.00 0.96 N ATOM 1499 CA ASN A 91 -4.584 -17.664 -1.947 1.00 0.93 C ATOM 1500 C ASN A 91 -5.023 -18.174 -3.322 1.00 1.24 C ATOM 1501 O ASN A 91 -6.120 -18.665 -3.486 1.00 2.09 O ATOM 1502 CB ASN A 91 -3.697 -18.710 -1.270 1.00 1.02 C ATOM 1503 CG ASN A 91 -2.428 -18.040 -0.743 1.00 1.15 C ATOM 1504 OD1 ASN A 91 -1.862 -17.186 -1.395 1.00 1.64 O ATOM 1505 ND2 ASN A 91 -1.954 -18.395 0.420 1.00 1.76 N ATOM 0 H ASN A 91 -6.586 -18.030 -1.311 1.00 0.96 H new ATOM 0 HA ASN A 91 -4.019 -16.739 -2.059 1.00 0.93 H new ATOM 0 HB2 ASN A 91 -4.237 -19.185 -0.451 1.00 1.02 H new ATOM 0 HB3 ASN A 91 -3.438 -19.496 -1.979 1.00 1.02 H new ATOM 0 HD21 ASN A 91 -1.108 -17.955 0.782 1.00 1.76 H new ATOM 0 HD22 ASN A 91 -2.430 -19.112 0.967 1.00 1.76 H new ATOM 1512 N LYS A 92 -4.177 -18.053 -4.311 1.00 1.26 N ATOM 1513 CA LYS A 92 -4.545 -18.522 -5.680 1.00 1.56 C ATOM 1514 C LYS A 92 -5.503 -17.512 -6.318 1.00 1.54 C ATOM 1515 O LYS A 92 -6.304 -16.894 -5.646 1.00 2.20 O ATOM 1516 CB LYS A 92 -5.217 -19.898 -5.602 1.00 1.84 C ATOM 1517 CG LYS A 92 -4.402 -20.815 -4.686 1.00 1.89 C ATOM 1518 CD LYS A 92 -5.208 -22.076 -4.372 1.00 2.05 C ATOM 1519 CE LYS A 92 -4.696 -23.236 -5.228 1.00 2.57 C ATOM 1520 NZ LYS A 92 -4.380 -24.398 -4.351 1.00 3.19 N ATOM 0 H LYS A 92 -3.244 -17.648 -4.230 1.00 1.26 H new ATOM 0 HA LYS A 92 -3.644 -18.606 -6.287 1.00 1.56 H new ATOM 0 HB2 LYS A 92 -6.233 -19.797 -5.221 1.00 1.84 H new ATOM 0 HB3 LYS A 92 -5.292 -20.335 -6.598 1.00 1.84 H new ATOM 0 HG2 LYS A 92 -3.461 -21.083 -5.167 1.00 1.89 H new ATOM 0 HG3 LYS A 92 -4.150 -20.293 -3.763 1.00 1.89 H new ATOM 0 HD2 LYS A 92 -5.118 -22.324 -3.314 1.00 2.05 H new ATOM 0 HD3 LYS A 92 -6.266 -21.903 -4.570 1.00 2.05 H new ATOM 0 HE2 LYS A 92 -5.448 -23.517 -5.966 1.00 2.57 H new ATOM 0 HE3 LYS A 92 -3.807 -22.930 -5.779 1.00 2.57 H new ATOM 0 HZ1 LYS A 92 -4.032 -25.187 -4.932 1.00 3.19 H new ATOM 0 HZ2 LYS A 92 -3.649 -24.125 -3.664 1.00 3.19 H new ATOM 0 HZ3 LYS A 92 -5.239 -24.694 -3.844 1.00 3.19 H new ATOM 1534 N GLN A 93 -5.420 -17.336 -7.611 1.00 1.28 N ATOM 1535 CA GLN A 93 -6.317 -16.361 -8.300 1.00 1.28 C ATOM 1536 C GLN A 93 -5.755 -14.950 -8.113 1.00 0.86 C ATOM 1537 O GLN A 93 -4.639 -14.776 -7.667 1.00 0.99 O ATOM 1538 CB GLN A 93 -7.729 -16.435 -7.710 1.00 1.68 C ATOM 1539 CG GLN A 93 -8.757 -16.323 -8.838 1.00 2.61 C ATOM 1540 CD GLN A 93 -10.143 -16.699 -8.313 1.00 3.03 C ATOM 1541 OE1 GLN A 93 -11.171 -15.962 -8.638 1.00 3.35 O flip ATOM 1542 NE2 GLN A 93 -10.294 -17.673 -7.603 1.00 3.52 N flip ATOM 0 H GLN A 93 -4.767 -17.827 -8.222 1.00 1.28 H new ATOM 0 HA GLN A 93 -6.368 -16.603 -9.362 1.00 1.28 H new ATOM 0 HB2 GLN A 93 -7.862 -17.374 -7.173 1.00 1.68 H new ATOM 0 HB3 GLN A 93 -7.876 -15.632 -6.988 1.00 1.68 H new ATOM 0 HG2 GLN A 93 -8.770 -15.306 -9.231 1.00 2.61 H new ATOM 0 HG3 GLN A 93 -8.479 -16.980 -9.662 1.00 2.61 H new ATOM 0 HE21 GLN A 93 -9.491 -18.249 -7.349 1.00 3.52 H new ATOM 0 HE22 GLN A 93 -11.224 -17.915 -7.261 1.00 3.52 H new ATOM 1551 N ARG A 94 -6.511 -13.938 -8.449 1.00 0.74 N ATOM 1552 CA ARG A 94 -5.997 -12.550 -8.282 1.00 0.79 C ATOM 1553 C ARG A 94 -6.946 -11.775 -7.371 1.00 0.62 C ATOM 1554 O ARG A 94 -8.094 -12.138 -7.210 1.00 0.77 O ATOM 1555 CB ARG A 94 -5.925 -11.857 -9.648 1.00 1.21 C ATOM 1556 CG ARG A 94 -5.728 -12.903 -10.749 1.00 1.21 C ATOM 1557 CD ARG A 94 -5.244 -12.216 -12.028 1.00 1.73 C ATOM 1558 NE ARG A 94 -4.433 -13.176 -12.830 1.00 2.49 N ATOM 1559 CZ ARG A 94 -4.029 -12.850 -14.028 1.00 3.04 C ATOM 1560 NH1 ARG A 94 -3.946 -11.594 -14.370 1.00 3.48 N ATOM 1561 NH2 ARG A 94 -3.707 -13.781 -14.884 1.00 3.68 N ATOM 0 H ARG A 94 -7.455 -14.013 -8.829 1.00 0.74 H new ATOM 0 HA ARG A 94 -5.000 -12.580 -7.842 1.00 0.79 H new ATOM 0 HB2 ARG A 94 -6.840 -11.293 -9.829 1.00 1.21 H new ATOM 0 HB3 ARG A 94 -5.102 -11.142 -9.661 1.00 1.21 H new ATOM 0 HG2 ARG A 94 -5.002 -13.651 -10.429 1.00 1.21 H new ATOM 0 HG3 ARG A 94 -6.664 -13.428 -10.938 1.00 1.21 H new ATOM 0 HD2 ARG A 94 -6.096 -11.867 -12.611 1.00 1.73 H new ATOM 0 HD3 ARG A 94 -4.647 -11.338 -11.779 1.00 1.73 H new ATOM 0 HE ARG A 94 -4.193 -14.089 -12.442 1.00 2.49 H new ATOM 0 HH11 ARG A 94 -4.197 -10.866 -13.701 1.00 3.48 H new ATOM 0 HH12 ARG A 94 -3.630 -11.340 -15.306 1.00 3.48 H new ATOM 0 HH21 ARG A 94 -3.771 -14.763 -14.617 1.00 3.68 H new ATOM 0 HH22 ARG A 94 -3.391 -13.526 -15.820 1.00 3.68 H new ATOM 1575 N TYR A 95 -6.486 -10.710 -6.774 1.00 0.60 N ATOM 1576 CA TYR A 95 -7.389 -9.933 -5.885 1.00 0.66 C ATOM 1577 C TYR A 95 -7.127 -8.437 -6.011 1.00 0.61 C ATOM 1578 O TYR A 95 -6.137 -7.990 -6.560 1.00 0.73 O ATOM 1579 CB TYR A 95 -7.198 -10.325 -4.419 1.00 0.89 C ATOM 1580 CG TYR A 95 -6.710 -11.744 -4.303 1.00 0.68 C ATOM 1581 CD1 TYR A 95 -5.365 -12.052 -4.540 1.00 1.48 C ATOM 1582 CD2 TYR A 95 -7.608 -12.750 -3.938 1.00 1.26 C ATOM 1583 CE1 TYR A 95 -4.920 -13.370 -4.409 1.00 1.69 C ATOM 1584 CE2 TYR A 95 -7.162 -14.064 -3.805 1.00 1.32 C ATOM 1585 CZ TYR A 95 -5.819 -14.372 -4.038 1.00 1.13 C ATOM 1586 OH TYR A 95 -5.388 -15.670 -3.899 1.00 1.54 O ATOM 0 H TYR A 95 -5.536 -10.349 -6.862 1.00 0.60 H new ATOM 0 HA TYR A 95 -8.408 -10.161 -6.198 1.00 0.66 H new ATOM 0 HB2 TYR A 95 -6.483 -9.650 -3.948 1.00 0.89 H new ATOM 0 HB3 TYR A 95 -8.141 -10.215 -3.883 1.00 0.89 H new ATOM 0 HD1 TYR A 95 -4.673 -11.273 -4.823 1.00 1.48 H new ATOM 0 HD2 TYR A 95 -8.646 -12.510 -3.759 1.00 1.26 H new ATOM 0 HE1 TYR A 95 -3.884 -13.613 -4.594 1.00 1.69 H new ATOM 0 HE2 TYR A 95 -7.854 -14.843 -3.522 1.00 1.32 H new ATOM 0 HH TYR A 95 -5.953 -16.262 -4.438 1.00 1.54 H new ATOM 1596 N LYS A 96 -8.029 -7.675 -5.473 1.00 0.58 N ATOM 1597 CA LYS A 96 -7.919 -6.198 -5.490 1.00 0.62 C ATOM 1598 C LYS A 96 -8.189 -5.739 -4.063 1.00 0.60 C ATOM 1599 O LYS A 96 -9.310 -5.453 -3.691 1.00 0.85 O ATOM 1600 CB LYS A 96 -8.965 -5.610 -6.440 1.00 0.78 C ATOM 1601 CG LYS A 96 -8.359 -4.430 -7.199 1.00 1.29 C ATOM 1602 CD LYS A 96 -8.032 -3.306 -6.215 1.00 1.55 C ATOM 1603 CE LYS A 96 -8.061 -1.961 -6.945 1.00 2.25 C ATOM 1604 NZ LYS A 96 -7.174 -2.023 -8.140 1.00 2.99 N ATOM 0 H LYS A 96 -8.865 -8.028 -5.007 1.00 0.58 H new ATOM 0 HA LYS A 96 -6.938 -5.871 -5.834 1.00 0.62 H new ATOM 0 HB2 LYS A 96 -9.303 -6.372 -7.142 1.00 0.78 H new ATOM 0 HB3 LYS A 96 -9.840 -5.284 -5.878 1.00 0.78 H new ATOM 0 HG2 LYS A 96 -7.456 -4.745 -7.721 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -9.057 -4.073 -7.956 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -8.753 -3.303 -5.398 1.00 1.55 H new ATOM 0 HD3 LYS A 96 -7.049 -3.470 -5.773 1.00 1.55 H new ATOM 0 HE2 LYS A 96 -9.080 -1.722 -7.248 1.00 2.25 H new ATOM 0 HE3 LYS A 96 -7.732 -1.165 -6.276 1.00 2.25 H new ATOM 0 HZ1 LYS A 96 -7.532 -1.376 -8.872 1.00 2.99 H new ATOM 0 HZ2 LYS A 96 -6.209 -1.742 -7.871 1.00 2.99 H new ATOM 0 HZ3 LYS A 96 -7.161 -2.994 -8.513 1.00 2.99 H new ATOM 1618 N ILE A 97 -7.172 -5.687 -3.253 1.00 0.52 N ATOM 1619 CA ILE A 97 -7.381 -5.270 -1.837 1.00 0.53 C ATOM 1620 C ILE A 97 -7.311 -3.745 -1.717 1.00 0.55 C ATOM 1621 O ILE A 97 -6.270 -3.173 -1.461 1.00 0.66 O ATOM 1622 CB ILE A 97 -6.344 -5.938 -0.910 1.00 0.61 C ATOM 1623 CG1 ILE A 97 -5.127 -6.416 -1.705 1.00 0.59 C ATOM 1624 CG2 ILE A 97 -6.982 -7.157 -0.236 1.00 0.76 C ATOM 1625 CD1 ILE A 97 -4.169 -7.159 -0.772 1.00 0.71 C ATOM 0 H ILE A 97 -6.210 -5.913 -3.505 1.00 0.52 H new ATOM 0 HA ILE A 97 -8.373 -5.597 -1.524 1.00 0.53 H new ATOM 0 HB ILE A 97 -6.025 -5.204 -0.170 1.00 0.61 H new ATOM 0 HG12 ILE A 97 -5.444 -7.072 -2.516 1.00 0.59 H new ATOM 0 HG13 ILE A 97 -4.621 -5.566 -2.162 1.00 0.59 H new ATOM 0 HG21 ILE A 97 -6.253 -7.633 0.420 1.00 0.76 H new ATOM 0 HG22 ILE A 97 -7.845 -6.839 0.350 1.00 0.76 H new ATOM 0 HG23 ILE A 97 -7.303 -7.868 -0.998 1.00 0.76 H new ATOM 0 HD11 ILE A 97 -3.302 -7.500 -1.337 1.00 0.71 H new ATOM 0 HD12 ILE A 97 -3.843 -6.489 0.023 1.00 0.71 H new ATOM 0 HD13 ILE A 97 -4.679 -8.018 -0.336 1.00 0.71 H new ATOM 1637 N VAL A 98 -8.431 -3.088 -1.901 1.00 0.51 N ATOM 1638 CA VAL A 98 -8.468 -1.599 -1.802 1.00 0.56 C ATOM 1639 C VAL A 98 -8.959 -1.194 -0.410 1.00 0.67 C ATOM 1640 O VAL A 98 -10.145 -1.148 -0.153 1.00 1.32 O ATOM 1641 CB VAL A 98 -9.440 -1.038 -2.847 1.00 0.65 C ATOM 1642 CG1 VAL A 98 -9.681 0.448 -2.568 1.00 1.24 C ATOM 1643 CG2 VAL A 98 -8.845 -1.202 -4.246 1.00 1.17 C ATOM 0 H VAL A 98 -9.327 -3.525 -2.117 1.00 0.51 H new ATOM 0 HA VAL A 98 -7.467 -1.204 -1.976 1.00 0.56 H new ATOM 0 HB VAL A 98 -10.384 -1.580 -2.791 1.00 0.65 H new ATOM 0 HG11 VAL A 98 -10.372 0.850 -3.309 1.00 1.24 H new ATOM 0 HG12 VAL A 98 -10.108 0.567 -1.572 1.00 1.24 H new ATOM 0 HG13 VAL A 98 -8.735 0.987 -2.624 1.00 1.24 H new ATOM 0 HG21 VAL A 98 -9.539 -0.802 -4.986 1.00 1.17 H new ATOM 0 HG22 VAL A 98 -7.900 -0.662 -4.305 1.00 1.17 H new ATOM 0 HG23 VAL A 98 -8.671 -2.259 -4.446 1.00 1.17 H new ATOM 1653 N GLY A 99 -8.064 -0.898 0.491 1.00 0.86 N ATOM 1654 CA GLY A 99 -8.497 -0.498 1.859 1.00 0.98 C ATOM 1655 C GLY A 99 -7.684 0.709 2.326 1.00 0.79 C ATOM 1656 O GLY A 99 -6.559 0.910 1.913 1.00 0.77 O ATOM 0 H GLY A 99 -7.055 -0.916 0.340 1.00 0.86 H new ATOM 0 HA2 GLY A 99 -9.559 -0.254 1.858 1.00 0.98 H new ATOM 0 HA3 GLY A 99 -8.362 -1.329 2.551 1.00 0.98 H new ATOM 1660 N ASN A 100 -8.243 1.512 3.188 1.00 0.84 N ATOM 1661 CA ASN A 100 -7.501 2.703 3.685 1.00 0.70 C ATOM 1662 C ASN A 100 -6.707 2.308 4.930 1.00 0.61 C ATOM 1663 O ASN A 100 -6.570 1.142 5.243 1.00 0.82 O ATOM 1664 CB ASN A 100 -8.492 3.813 4.039 1.00 0.79 C ATOM 1665 CG ASN A 100 -9.627 3.234 4.886 1.00 1.25 C ATOM 1666 OD1 ASN A 100 -10.573 2.683 4.359 1.00 2.18 O ATOM 1667 ND2 ASN A 100 -9.573 3.335 6.186 1.00 1.64 N ATOM 0 H ASN A 100 -9.182 1.395 3.570 1.00 0.84 H new ATOM 0 HA ASN A 100 -6.821 3.064 2.913 1.00 0.70 H new ATOM 0 HB2 ASN A 100 -7.984 4.607 4.586 1.00 0.79 H new ATOM 0 HB3 ASN A 100 -8.894 4.259 3.130 1.00 0.79 H new ATOM 0 HD21 ASN A 100 -10.325 2.951 6.759 1.00 1.64 H new ATOM 0 HD22 ASN A 100 -8.779 3.797 6.629 1.00 1.64 H new ATOM 1674 N ILE A 101 -6.182 3.263 5.646 1.00 0.46 N ATOM 1675 CA ILE A 101 -5.401 2.923 6.866 1.00 0.56 C ATOM 1676 C ILE A 101 -5.946 3.712 8.065 1.00 0.59 C ATOM 1677 O ILE A 101 -5.978 4.925 8.036 1.00 0.67 O ATOM 1678 CB ILE A 101 -3.928 3.282 6.644 1.00 0.72 C ATOM 1679 CG1 ILE A 101 -3.077 2.612 7.720 1.00 1.28 C ATOM 1680 CG2 ILE A 101 -3.743 4.796 6.732 1.00 1.19 C ATOM 1681 CD1 ILE A 101 -1.607 2.644 7.302 1.00 0.91 C ATOM 0 H ILE A 101 -6.260 4.259 5.440 1.00 0.46 H new ATOM 0 HA ILE A 101 -5.490 1.855 7.067 1.00 0.56 H new ATOM 0 HB ILE A 101 -3.620 2.936 5.657 1.00 0.72 H new ATOM 0 HG12 ILE A 101 -3.206 3.125 8.673 1.00 1.28 H new ATOM 0 HG13 ILE A 101 -3.402 1.582 7.866 1.00 1.28 H new ATOM 0 HG21 ILE A 101 -2.694 5.044 6.573 1.00 1.19 H new ATOM 0 HG22 ILE A 101 -4.350 5.282 5.968 1.00 1.19 H new ATOM 0 HG23 ILE A 101 -4.053 5.144 7.717 1.00 1.19 H new ATOM 0 HD11 ILE A 101 -1.000 2.166 8.070 1.00 0.91 H new ATOM 0 HD12 ILE A 101 -1.485 2.111 6.359 1.00 0.91 H new ATOM 0 HD13 ILE A 101 -1.286 3.678 7.178 1.00 0.91 H new ATOM 1693 N PRO A 102 -6.355 3.002 9.087 1.00 0.66 N ATOM 1694 CA PRO A 102 -6.898 3.607 10.311 1.00 0.83 C ATOM 1695 C PRO A 102 -5.940 4.684 10.833 1.00 0.86 C ATOM 1696 O PRO A 102 -6.318 5.541 11.605 1.00 1.53 O ATOM 1697 CB PRO A 102 -7.013 2.470 11.321 1.00 1.01 C ATOM 1698 CG PRO A 102 -7.122 1.218 10.418 1.00 0.89 C ATOM 1699 CD PRO A 102 -6.321 1.523 9.130 1.00 0.71 C ATOM 0 HA PRO A 102 -7.862 4.084 10.133 1.00 0.83 H new ATOM 0 HB2 PRO A 102 -6.143 2.422 11.976 1.00 1.01 H new ATOM 0 HB3 PRO A 102 -7.888 2.584 11.961 1.00 1.01 H new ATOM 0 HG2 PRO A 102 -6.720 0.340 10.924 1.00 0.89 H new ATOM 0 HG3 PRO A 102 -8.164 1.001 10.183 1.00 0.89 H new ATOM 0 HD2 PRO A 102 -5.302 1.140 9.183 1.00 0.71 H new ATOM 0 HD3 PRO A 102 -6.783 1.079 8.248 1.00 0.71 H new ATOM 1707 N TYR A 103 -4.701 4.637 10.415 1.00 0.78 N ATOM 1708 CA TYR A 103 -3.703 5.646 10.877 1.00 0.82 C ATOM 1709 C TYR A 103 -3.182 5.250 12.260 1.00 0.81 C ATOM 1710 O TYR A 103 -2.414 5.966 12.872 1.00 1.18 O ATOM 1711 CB TYR A 103 -4.351 7.032 10.948 1.00 1.02 C ATOM 1712 CG TYR A 103 -5.231 7.238 9.738 1.00 0.96 C ATOM 1713 CD1 TYR A 103 -4.681 7.157 8.452 1.00 1.46 C ATOM 1714 CD2 TYR A 103 -6.596 7.507 9.900 1.00 1.76 C ATOM 1715 CE1 TYR A 103 -5.495 7.346 7.328 1.00 1.78 C ATOM 1716 CE2 TYR A 103 -7.411 7.696 8.776 1.00 2.05 C ATOM 1717 CZ TYR A 103 -6.861 7.615 7.490 1.00 1.75 C ATOM 1718 OH TYR A 103 -7.663 7.799 6.382 1.00 2.28 O ATOM 0 H TYR A 103 -4.336 3.937 9.769 1.00 0.78 H new ATOM 0 HA TYR A 103 -2.874 5.679 10.170 1.00 0.82 H new ATOM 0 HB2 TYR A 103 -4.941 7.123 11.860 1.00 1.02 H new ATOM 0 HB3 TYR A 103 -3.582 7.803 10.987 1.00 1.02 H new ATOM 0 HD1 TYR A 103 -3.629 6.949 8.327 1.00 1.46 H new ATOM 0 HD2 TYR A 103 -7.020 7.569 10.891 1.00 1.76 H new ATOM 0 HE1 TYR A 103 -5.070 7.284 6.337 1.00 1.78 H new ATOM 0 HE2 TYR A 103 -8.463 7.904 8.901 1.00 2.05 H new ATOM 0 HH TYR A 103 -8.583 7.976 6.670 1.00 2.28 H new ATOM 1728 N HIS A 104 -3.593 4.115 12.760 1.00 0.78 N ATOM 1729 CA HIS A 104 -3.117 3.680 14.103 1.00 0.81 C ATOM 1730 C HIS A 104 -2.679 2.213 14.048 1.00 0.80 C ATOM 1731 O HIS A 104 -2.254 1.649 15.037 1.00 1.15 O ATOM 1732 CB HIS A 104 -4.251 3.836 15.118 1.00 1.09 C ATOM 1733 CG HIS A 104 -5.311 2.803 14.849 1.00 1.23 C ATOM 1734 ND1 HIS A 104 -5.378 1.462 15.132 1.00 1.34 N flip ATOM 1735 CD2 HIS A 104 -6.496 3.113 14.201 1.00 1.50 C flip ATOM 1736 CE1 HIS A 104 -6.585 0.945 14.670 1.00 1.56 C flip ATOM 1737 NE2 HIS A 104 -7.220 1.982 14.118 1.00 1.69 N flip ATOM 0 H HIS A 104 -4.236 3.473 12.297 1.00 0.78 H new ATOM 0 HA HIS A 104 -2.269 4.296 14.403 1.00 0.81 H new ATOM 0 HB2 HIS A 104 -3.865 3.721 16.131 1.00 1.09 H new ATOM 0 HB3 HIS A 104 -4.678 4.837 15.051 1.00 1.09 H new ATOM 0 HD1 HIS A 104 -4.653 0.925 15.609 1.00 1.34 H new ATOM 0 HD2 HIS A 104 -6.786 4.085 13.830 1.00 1.50 H new ATOM 0 HE1 HIS A 104 -6.933 -0.075 14.742 1.00 1.56 H new ATOM 1745 N LEU A 105 -2.777 1.590 12.904 1.00 0.80 N ATOM 1746 CA LEU A 105 -2.364 0.161 12.793 1.00 0.85 C ATOM 1747 C LEU A 105 -2.808 -0.394 11.437 1.00 0.84 C ATOM 1748 O LEU A 105 -3.932 -0.205 11.016 1.00 1.28 O ATOM 1749 CB LEU A 105 -3.017 -0.652 13.915 1.00 1.08 C ATOM 1750 CG LEU A 105 -2.859 -2.147 13.626 1.00 1.03 C ATOM 1751 CD1 LEU A 105 -2.404 -2.867 14.897 1.00 1.41 C ATOM 1752 CD2 LEU A 105 -4.201 -2.722 13.167 1.00 1.86 C ATOM 0 H LEU A 105 -3.125 2.009 12.042 1.00 0.80 H new ATOM 0 HA LEU A 105 -1.280 0.090 12.879 1.00 0.85 H new ATOM 0 HB2 LEU A 105 -2.556 -0.406 14.872 1.00 1.08 H new ATOM 0 HB3 LEU A 105 -4.074 -0.397 13.995 1.00 1.08 H new ATOM 0 HG LEU A 105 -2.115 -2.289 12.842 1.00 1.03 H new ATOM 0 HD11 LEU A 105 -2.291 -3.932 14.692 1.00 1.41 H new ATOM 0 HD12 LEU A 105 -1.448 -2.458 15.225 1.00 1.41 H new ATOM 0 HD13 LEU A 105 -3.148 -2.725 15.681 1.00 1.41 H new ATOM 0 HD21 LEU A 105 -4.089 -3.787 12.961 1.00 1.86 H new ATOM 0 HD22 LEU A 105 -4.945 -2.580 13.951 1.00 1.86 H new ATOM 0 HD23 LEU A 105 -4.526 -2.209 12.262 1.00 1.86 H new ATOM 1764 N SER A 106 -1.933 -1.079 10.752 1.00 0.61 N ATOM 1765 CA SER A 106 -2.302 -1.647 9.424 1.00 0.62 C ATOM 1766 C SER A 106 -1.102 -2.392 8.839 1.00 0.58 C ATOM 1767 O SER A 106 -1.237 -3.450 8.259 1.00 0.63 O ATOM 1768 CB SER A 106 -2.711 -0.515 8.480 1.00 0.71 C ATOM 1769 OG SER A 106 -4.128 -0.483 8.373 1.00 1.56 O ATOM 0 H SER A 106 -0.978 -1.270 11.055 1.00 0.61 H new ATOM 0 HA SER A 106 -3.136 -2.338 9.543 1.00 0.62 H new ATOM 0 HB2 SER A 106 -2.341 0.439 8.856 1.00 0.71 H new ATOM 0 HB3 SER A 106 -2.264 -0.666 7.497 1.00 0.71 H new ATOM 0 HG SER A 106 -4.526 -0.634 9.256 1.00 1.56 H new ATOM 1775 N THR A 107 0.073 -1.846 8.986 1.00 0.60 N ATOM 1776 CA THR A 107 1.282 -2.522 8.438 1.00 0.60 C ATOM 1777 C THR A 107 1.232 -4.016 8.767 1.00 0.57 C ATOM 1778 O THR A 107 1.770 -4.836 8.049 1.00 0.58 O ATOM 1779 CB THR A 107 2.536 -1.904 9.062 1.00 0.70 C ATOM 1780 OG1 THR A 107 2.229 -0.603 9.546 1.00 0.84 O ATOM 1781 CG2 THR A 107 3.641 -1.811 8.009 1.00 0.64 C ATOM 0 H THR A 107 0.248 -0.961 9.462 1.00 0.60 H new ATOM 0 HA THR A 107 1.310 -2.392 7.356 1.00 0.60 H new ATOM 0 HB THR A 107 2.877 -2.529 9.887 1.00 0.70 H new ATOM 0 HG1 THR A 107 3.030 -0.206 9.948 1.00 0.84 H new ATOM 0 HG21 THR A 107 4.533 -1.371 8.455 1.00 0.64 H new ATOM 0 HG22 THR A 107 3.875 -2.809 7.639 1.00 0.64 H new ATOM 0 HG23 THR A 107 3.304 -1.187 7.182 1.00 0.64 H new ATOM 1789 N GLN A 108 0.594 -4.379 9.847 1.00 0.61 N ATOM 1790 CA GLN A 108 0.516 -5.821 10.216 1.00 0.63 C ATOM 1791 C GLN A 108 -0.293 -6.581 9.163 1.00 0.57 C ATOM 1792 O GLN A 108 0.168 -7.557 8.606 1.00 0.60 O ATOM 1793 CB GLN A 108 -0.157 -5.967 11.583 1.00 0.69 C ATOM 1794 CG GLN A 108 0.893 -6.346 12.630 1.00 1.10 C ATOM 1795 CD GLN A 108 0.515 -5.732 13.980 1.00 1.83 C ATOM 1796 OE1 GLN A 108 1.137 -4.789 14.428 1.00 2.61 O ATOM 1797 NE2 GLN A 108 -0.486 -6.231 14.652 1.00 2.28 N ATOM 0 H GLN A 108 0.124 -3.740 10.489 1.00 0.61 H new ATOM 0 HA GLN A 108 1.524 -6.234 10.263 1.00 0.63 H new ATOM 0 HB2 GLN A 108 -0.644 -5.033 11.862 1.00 0.69 H new ATOM 0 HB3 GLN A 108 -0.934 -6.730 11.538 1.00 0.69 H new ATOM 0 HG2 GLN A 108 0.959 -7.430 12.718 1.00 1.10 H new ATOM 0 HG3 GLN A 108 1.876 -5.991 12.320 1.00 1.10 H new ATOM 0 HE21 GLN A 108 -1.008 -7.022 14.276 1.00 2.28 H new ATOM 0 HE22 GLN A 108 -0.746 -5.830 15.553 1.00 2.28 H new ATOM 1806 N ILE A 109 -1.493 -6.151 8.880 1.00 0.53 N ATOM 1807 CA ILE A 109 -2.301 -6.870 7.857 1.00 0.51 C ATOM 1808 C ILE A 109 -1.572 -6.797 6.517 1.00 0.50 C ATOM 1809 O ILE A 109 -1.393 -7.789 5.841 1.00 0.59 O ATOM 1810 CB ILE A 109 -3.685 -6.234 7.718 1.00 0.54 C ATOM 1811 CG1 ILE A 109 -4.181 -5.762 9.090 1.00 0.84 C ATOM 1812 CG2 ILE A 109 -4.651 -7.277 7.155 1.00 0.86 C ATOM 1813 CD1 ILE A 109 -5.678 -5.446 9.013 1.00 1.09 C ATOM 0 H ILE A 109 -1.944 -5.342 9.308 1.00 0.53 H new ATOM 0 HA ILE A 109 -2.427 -7.908 8.165 1.00 0.51 H new ATOM 0 HB ILE A 109 -3.630 -5.376 7.048 1.00 0.54 H new ATOM 0 HG12 ILE A 109 -4.000 -6.533 9.839 1.00 0.84 H new ATOM 0 HG13 ILE A 109 -3.628 -4.877 9.403 1.00 0.84 H new ATOM 0 HG21 ILE A 109 -5.642 -6.836 7.051 1.00 0.86 H new ATOM 0 HG22 ILE A 109 -4.298 -7.611 6.179 1.00 0.86 H new ATOM 0 HG23 ILE A 109 -4.702 -8.129 7.833 1.00 0.86 H new ATOM 0 HD11 ILE A 109 -6.030 -5.111 9.989 1.00 1.09 H new ATOM 0 HD12 ILE A 109 -5.847 -4.660 8.277 1.00 1.09 H new ATOM 0 HD13 ILE A 109 -6.224 -6.342 8.719 1.00 1.09 H new ATOM 1825 N ILE A 110 -1.142 -5.627 6.131 1.00 0.48 N ATOM 1826 CA ILE A 110 -0.416 -5.493 4.840 1.00 0.52 C ATOM 1827 C ILE A 110 0.850 -6.352 4.897 1.00 0.56 C ATOM 1828 O ILE A 110 1.472 -6.630 3.892 1.00 0.62 O ATOM 1829 CB ILE A 110 -0.030 -4.028 4.619 1.00 0.57 C ATOM 1830 CG1 ILE A 110 -1.295 -3.189 4.427 1.00 0.64 C ATOM 1831 CG2 ILE A 110 0.850 -3.912 3.372 1.00 0.64 C ATOM 1832 CD1 ILE A 110 -0.911 -1.718 4.259 1.00 0.86 C ATOM 0 H ILE A 110 -1.263 -4.760 6.654 1.00 0.48 H new ATOM 0 HA ILE A 110 -1.053 -5.823 4.019 1.00 0.52 H new ATOM 0 HB ILE A 110 0.520 -3.665 5.487 1.00 0.57 H new ATOM 0 HG12 ILE A 110 -1.844 -3.535 3.551 1.00 0.64 H new ATOM 0 HG13 ILE A 110 -1.956 -3.307 5.285 1.00 0.64 H new ATOM 0 HG21 ILE A 110 1.124 -2.869 3.216 1.00 0.64 H new ATOM 0 HG22 ILE A 110 1.753 -4.508 3.507 1.00 0.64 H new ATOM 0 HG23 ILE A 110 0.301 -4.277 2.504 1.00 0.64 H new ATOM 0 HD11 ILE A 110 -1.812 -1.120 4.122 1.00 0.86 H new ATOM 0 HD12 ILE A 110 -0.380 -1.377 5.148 1.00 0.86 H new ATOM 0 HD13 ILE A 110 -0.266 -1.608 3.387 1.00 0.86 H new ATOM 1844 N LYS A 111 1.234 -6.768 6.076 1.00 0.58 N ATOM 1845 CA LYS A 111 2.459 -7.606 6.225 1.00 0.66 C ATOM 1846 C LYS A 111 2.156 -9.063 5.853 1.00 0.69 C ATOM 1847 O LYS A 111 2.854 -9.670 5.065 1.00 0.78 O ATOM 1848 CB LYS A 111 2.928 -7.546 7.682 1.00 0.70 C ATOM 1849 CG LYS A 111 4.266 -8.276 7.818 1.00 0.83 C ATOM 1850 CD LYS A 111 5.262 -7.385 8.563 1.00 1.20 C ATOM 1851 CE LYS A 111 5.625 -6.183 7.689 1.00 0.90 C ATOM 1852 NZ LYS A 111 7.097 -5.954 7.745 1.00 1.58 N ATOM 0 H LYS A 111 0.747 -6.561 6.948 1.00 0.58 H new ATOM 0 HA LYS A 111 3.236 -7.226 5.561 1.00 0.66 H new ATOM 0 HB2 LYS A 111 3.034 -6.508 7.999 1.00 0.70 H new ATOM 0 HB3 LYS A 111 2.184 -8.004 8.334 1.00 0.70 H new ATOM 0 HG2 LYS A 111 4.127 -9.213 8.357 1.00 0.83 H new ATOM 0 HG3 LYS A 111 4.656 -8.529 6.832 1.00 0.83 H new ATOM 0 HD2 LYS A 111 4.829 -7.046 9.504 1.00 1.20 H new ATOM 0 HD3 LYS A 111 6.159 -7.952 8.810 1.00 1.20 H new ATOM 0 HE2 LYS A 111 5.313 -6.361 6.660 1.00 0.90 H new ATOM 0 HE3 LYS A 111 5.095 -5.295 8.034 1.00 0.90 H new ATOM 0 HZ1 LYS A 111 7.334 -5.088 7.220 1.00 1.58 H new ATOM 0 HZ2 LYS A 111 7.395 -5.851 8.736 1.00 1.58 H new ATOM 0 HZ3 LYS A 111 7.591 -6.763 7.318 1.00 1.58 H new ATOM 1866 N LYS A 112 1.127 -9.632 6.417 1.00 0.67 N ATOM 1867 CA LYS A 112 0.790 -11.050 6.098 1.00 0.73 C ATOM 1868 C LYS A 112 0.263 -11.153 4.666 1.00 0.71 C ATOM 1869 O LYS A 112 0.664 -12.013 3.908 1.00 0.76 O ATOM 1870 CB LYS A 112 -0.281 -11.550 7.070 1.00 0.80 C ATOM 1871 CG LYS A 112 -0.051 -13.034 7.364 1.00 0.98 C ATOM 1872 CD LYS A 112 0.016 -13.251 8.877 1.00 1.95 C ATOM 1873 CE LYS A 112 -0.835 -14.464 9.259 1.00 2.46 C ATOM 1874 NZ LYS A 112 0.052 -15.565 9.729 1.00 3.12 N ATOM 0 H LYS A 112 0.504 -9.178 7.085 1.00 0.67 H new ATOM 0 HA LYS A 112 1.688 -11.660 6.194 1.00 0.73 H new ATOM 0 HB2 LYS A 112 -0.244 -10.975 7.995 1.00 0.80 H new ATOM 0 HB3 LYS A 112 -1.273 -11.403 6.642 1.00 0.80 H new ATOM 0 HG2 LYS A 112 -0.857 -13.629 6.936 1.00 0.98 H new ATOM 0 HG3 LYS A 112 0.875 -13.369 6.897 1.00 0.98 H new ATOM 0 HD2 LYS A 112 1.049 -13.407 9.187 1.00 1.95 H new ATOM 0 HD3 LYS A 112 -0.343 -12.363 9.398 1.00 1.95 H new ATOM 0 HE2 LYS A 112 -1.543 -14.193 10.043 1.00 2.46 H new ATOM 0 HE3 LYS A 112 -1.421 -14.795 8.401 1.00 2.46 H new ATOM 0 HZ1 LYS A 112 -0.481 -16.194 10.363 1.00 3.12 H new ATOM 0 HZ2 LYS A 112 0.395 -16.108 8.911 1.00 3.12 H new ATOM 0 HZ3 LYS A 112 0.862 -15.163 10.242 1.00 3.12 H new ATOM 1888 N VAL A 113 -0.636 -10.287 4.290 1.00 0.69 N ATOM 1889 CA VAL A 113 -1.189 -10.341 2.909 1.00 0.73 C ATOM 1890 C VAL A 113 -0.063 -10.126 1.895 1.00 0.75 C ATOM 1891 O VAL A 113 -0.042 -10.728 0.842 1.00 0.88 O ATOM 1892 CB VAL A 113 -2.245 -9.249 2.740 1.00 0.71 C ATOM 1893 CG1 VAL A 113 -1.680 -7.912 3.219 1.00 1.00 C ATOM 1894 CG2 VAL A 113 -2.631 -9.137 1.264 1.00 1.11 C ATOM 0 H VAL A 113 -1.012 -9.544 4.880 1.00 0.69 H new ATOM 0 HA VAL A 113 -1.645 -11.317 2.740 1.00 0.73 H new ATOM 0 HB VAL A 113 -3.126 -9.503 3.330 1.00 0.71 H new ATOM 0 HG11 VAL A 113 -2.434 -7.134 3.098 1.00 1.00 H new ATOM 0 HG12 VAL A 113 -1.404 -7.989 4.271 1.00 1.00 H new ATOM 0 HG13 VAL A 113 -0.799 -7.658 2.630 1.00 1.00 H new ATOM 0 HG21 VAL A 113 -3.384 -8.358 1.143 1.00 1.11 H new ATOM 0 HG22 VAL A 113 -1.749 -8.884 0.676 1.00 1.11 H new ATOM 0 HG23 VAL A 113 -3.035 -10.089 0.920 1.00 1.11 H new ATOM 1904 N VAL A 114 0.874 -9.273 2.199 1.00 0.67 N ATOM 1905 CA VAL A 114 1.988 -9.031 1.241 1.00 0.75 C ATOM 1906 C VAL A 114 3.065 -10.104 1.424 1.00 0.78 C ATOM 1907 O VAL A 114 4.005 -10.189 0.658 1.00 0.96 O ATOM 1908 CB VAL A 114 2.592 -7.644 1.496 1.00 0.76 C ATOM 1909 CG1 VAL A 114 3.495 -7.683 2.732 1.00 0.71 C ATOM 1910 CG2 VAL A 114 3.419 -7.223 0.281 1.00 0.93 C ATOM 0 H VAL A 114 0.917 -8.735 3.065 1.00 0.67 H new ATOM 0 HA VAL A 114 1.605 -9.076 0.221 1.00 0.75 H new ATOM 0 HB VAL A 114 1.787 -6.929 1.664 1.00 0.76 H new ATOM 0 HG11 VAL A 114 3.919 -6.694 2.904 1.00 0.71 H new ATOM 0 HG12 VAL A 114 2.910 -7.983 3.601 1.00 0.71 H new ATOM 0 HG13 VAL A 114 4.300 -8.400 2.572 1.00 0.71 H new ATOM 0 HG21 VAL A 114 3.850 -6.238 0.458 1.00 0.93 H new ATOM 0 HG22 VAL A 114 4.219 -7.945 0.117 1.00 0.93 H new ATOM 0 HG23 VAL A 114 2.778 -7.186 -0.600 1.00 0.93 H new ATOM 1920 N PHE A 115 2.941 -10.917 2.436 1.00 0.75 N ATOM 1921 CA PHE A 115 3.965 -11.975 2.670 1.00 0.83 C ATOM 1922 C PHE A 115 3.525 -13.312 2.056 1.00 1.06 C ATOM 1923 O PHE A 115 4.350 -14.127 1.693 1.00 1.41 O ATOM 1924 CB PHE A 115 4.168 -12.154 4.175 1.00 0.90 C ATOM 1925 CG PHE A 115 5.405 -11.405 4.611 1.00 0.95 C ATOM 1926 CD1 PHE A 115 6.577 -11.481 3.846 1.00 1.86 C ATOM 1927 CD2 PHE A 115 5.381 -10.635 5.781 1.00 1.24 C ATOM 1928 CE1 PHE A 115 7.725 -10.786 4.252 1.00 2.03 C ATOM 1929 CE2 PHE A 115 6.528 -9.940 6.186 1.00 1.37 C ATOM 1930 CZ PHE A 115 7.700 -10.016 5.422 1.00 1.37 C ATOM 0 H PHE A 115 2.176 -10.895 3.111 1.00 0.75 H new ATOM 0 HA PHE A 115 4.897 -11.667 2.196 1.00 0.83 H new ATOM 0 HB2 PHE A 115 3.297 -11.785 4.716 1.00 0.90 H new ATOM 0 HB3 PHE A 115 4.268 -13.212 4.416 1.00 0.90 H new ATOM 0 HD1 PHE A 115 6.596 -12.075 2.944 1.00 1.86 H new ATOM 0 HD2 PHE A 115 4.478 -10.577 6.371 1.00 1.24 H new ATOM 0 HE1 PHE A 115 8.628 -10.844 3.663 1.00 2.03 H new ATOM 0 HE2 PHE A 115 6.509 -9.345 7.087 1.00 1.37 H new ATOM 0 HZ PHE A 115 8.584 -9.481 5.735 1.00 1.37 H new ATOM 1940 N GLU A 116 2.246 -13.561 1.941 1.00 0.96 N ATOM 1941 CA GLU A 116 1.812 -14.867 1.357 1.00 1.25 C ATOM 1942 C GLU A 116 0.581 -14.703 0.453 1.00 0.98 C ATOM 1943 O GLU A 116 0.164 -15.641 -0.197 1.00 1.09 O ATOM 1944 CB GLU A 116 1.473 -15.836 2.492 1.00 1.62 C ATOM 1945 CG GLU A 116 1.788 -17.268 2.053 1.00 2.15 C ATOM 1946 CD GLU A 116 2.604 -17.969 3.141 1.00 2.50 C ATOM 1947 OE1 GLU A 116 2.024 -18.321 4.155 1.00 3.14 O ATOM 1948 OE2 GLU A 116 3.795 -18.145 2.941 1.00 2.62 O ATOM 0 H GLU A 116 1.495 -12.930 2.220 1.00 0.96 H new ATOM 0 HA GLU A 116 2.630 -15.255 0.750 1.00 1.25 H new ATOM 0 HB2 GLU A 116 2.047 -15.583 3.384 1.00 1.62 H new ATOM 0 HB3 GLU A 116 0.419 -15.749 2.756 1.00 1.62 H new ATOM 0 HG2 GLU A 116 0.863 -17.815 1.869 1.00 2.15 H new ATOM 0 HG3 GLU A 116 2.345 -17.258 1.116 1.00 2.15 H new ATOM 1955 N SER A 117 -0.012 -13.540 0.395 1.00 1.08 N ATOM 1956 CA SER A 117 -1.211 -13.378 -0.482 1.00 0.87 C ATOM 1957 C SER A 117 -0.776 -13.046 -1.907 1.00 0.92 C ATOM 1958 O SER A 117 0.381 -12.792 -2.177 1.00 1.75 O ATOM 1959 CB SER A 117 -2.102 -12.247 0.036 1.00 1.05 C ATOM 1960 OG SER A 117 -3.413 -12.409 -0.489 1.00 1.78 O ATOM 0 H SER A 117 0.275 -12.706 0.908 1.00 1.08 H new ATOM 0 HA SER A 117 -1.769 -14.315 -0.473 1.00 0.87 H new ATOM 0 HB2 SER A 117 -2.129 -12.259 1.126 1.00 1.05 H new ATOM 0 HB3 SER A 117 -1.694 -11.281 -0.262 1.00 1.05 H new ATOM 0 HG SER A 117 -3.894 -11.557 -0.436 1.00 1.78 H new ATOM 1966 N ARG A 118 -1.707 -13.042 -2.817 1.00 0.86 N ATOM 1967 CA ARG A 118 -1.381 -12.724 -4.234 1.00 0.96 C ATOM 1968 C ARG A 118 -2.288 -11.575 -4.684 1.00 1.02 C ATOM 1969 O ARG A 118 -2.796 -11.563 -5.787 1.00 1.72 O ATOM 1970 CB ARG A 118 -1.623 -13.955 -5.127 1.00 1.11 C ATOM 1971 CG ARG A 118 -1.911 -15.199 -4.269 1.00 0.82 C ATOM 1972 CD ARG A 118 -0.604 -15.752 -3.694 1.00 1.54 C ATOM 1973 NE ARG A 118 0.496 -15.581 -4.686 1.00 2.05 N ATOM 1974 CZ ARG A 118 0.738 -16.518 -5.564 1.00 2.43 C ATOM 1975 NH1 ARG A 118 -0.175 -16.844 -6.436 1.00 3.04 N ATOM 1976 NH2 ARG A 118 1.892 -17.126 -5.570 1.00 2.88 N ATOM 0 H ARG A 118 -2.690 -13.247 -2.638 1.00 0.86 H new ATOM 0 HA ARG A 118 -0.332 -12.439 -4.319 1.00 0.96 H new ATOM 0 HB2 ARG A 118 -2.462 -13.766 -5.796 1.00 1.11 H new ATOM 0 HB3 ARG A 118 -0.749 -14.133 -5.754 1.00 1.11 H new ATOM 0 HG2 ARG A 118 -2.594 -14.942 -3.459 1.00 0.82 H new ATOM 0 HG3 ARG A 118 -2.404 -15.961 -4.873 1.00 0.82 H new ATOM 0 HD2 ARG A 118 -0.355 -15.233 -2.768 1.00 1.54 H new ATOM 0 HD3 ARG A 118 -0.722 -16.807 -3.447 1.00 1.54 H new ATOM 0 HE ARG A 118 1.060 -14.731 -4.679 1.00 2.05 H new ATOM 0 HH11 ARG A 118 -1.077 -16.368 -6.432 1.00 3.04 H new ATOM 0 HH12 ARG A 118 0.013 -17.575 -7.122 1.00 3.04 H new ATOM 0 HH21 ARG A 118 2.607 -16.870 -4.889 1.00 2.88 H new ATOM 0 HH22 ARG A 118 2.080 -17.857 -6.256 1.00 2.88 H new ATOM 1990 N ALA A 119 -2.496 -10.613 -3.821 1.00 0.67 N ATOM 1991 CA ALA A 119 -3.374 -9.455 -4.164 1.00 0.70 C ATOM 1992 C ALA A 119 -3.159 -9.029 -5.620 1.00 0.63 C ATOM 1993 O ALA A 119 -4.075 -9.063 -6.414 1.00 0.68 O ATOM 1994 CB ALA A 119 -3.061 -8.280 -3.235 1.00 0.78 C ATOM 0 H ALA A 119 -2.091 -10.581 -2.885 1.00 0.67 H new ATOM 0 HA ALA A 119 -4.414 -9.756 -4.038 1.00 0.70 H new ATOM 0 HB1 ALA A 119 -3.703 -7.436 -3.487 1.00 0.78 H new ATOM 0 HB2 ALA A 119 -3.240 -8.576 -2.201 1.00 0.78 H new ATOM 0 HB3 ALA A 119 -2.017 -7.990 -3.354 1.00 0.78 H new ATOM 2000 N SER A 120 -1.964 -8.623 -5.971 1.00 0.60 N ATOM 2001 CA SER A 120 -1.692 -8.184 -7.375 1.00 0.64 C ATOM 2002 C SER A 120 -2.115 -6.719 -7.524 1.00 0.65 C ATOM 2003 O SER A 120 -1.380 -5.899 -8.037 1.00 0.72 O ATOM 2004 CB SER A 120 -2.474 -9.051 -8.365 1.00 0.72 C ATOM 2005 OG SER A 120 -1.635 -9.377 -9.466 1.00 1.34 O ATOM 0 H SER A 120 -1.162 -8.577 -5.343 1.00 0.60 H new ATOM 0 HA SER A 120 -0.628 -8.290 -7.589 1.00 0.64 H new ATOM 0 HB2 SER A 120 -2.821 -9.961 -7.875 1.00 0.72 H new ATOM 0 HB3 SER A 120 -3.359 -8.519 -8.712 1.00 0.72 H new ATOM 0 HG SER A 120 -2.131 -9.934 -10.102 1.00 1.34 H new ATOM 2011 N ASP A 121 -3.293 -6.383 -7.070 1.00 0.64 N ATOM 2012 CA ASP A 121 -3.765 -4.977 -7.172 1.00 0.67 C ATOM 2013 C ASP A 121 -4.186 -4.504 -5.779 1.00 0.63 C ATOM 2014 O ASP A 121 -5.337 -4.599 -5.400 1.00 0.88 O ATOM 2015 CB ASP A 121 -4.962 -4.904 -8.121 1.00 0.73 C ATOM 2016 CG ASP A 121 -4.498 -4.418 -9.496 1.00 1.29 C ATOM 2017 OD1 ASP A 121 -3.311 -4.503 -9.764 1.00 1.83 O ATOM 2018 OD2 ASP A 121 -5.339 -3.970 -10.258 1.00 2.01 O ATOM 0 H ASP A 121 -3.950 -7.028 -6.631 1.00 0.64 H new ATOM 0 HA ASP A 121 -2.967 -4.342 -7.558 1.00 0.67 H new ATOM 0 HB2 ASP A 121 -5.429 -5.885 -8.209 1.00 0.73 H new ATOM 0 HB3 ASP A 121 -5.716 -4.227 -7.720 1.00 0.73 H new ATOM 2023 N ILE A 122 -3.262 -4.003 -5.007 1.00 0.64 N ATOM 2024 CA ILE A 122 -3.614 -3.533 -3.639 1.00 0.62 C ATOM 2025 C ILE A 122 -3.624 -2.004 -3.610 1.00 0.61 C ATOM 2026 O ILE A 122 -2.630 -1.361 -3.878 1.00 0.79 O ATOM 2027 CB ILE A 122 -2.579 -4.059 -2.640 1.00 0.69 C ATOM 2028 CG1 ILE A 122 -2.745 -3.338 -1.299 1.00 1.23 C ATOM 2029 CG2 ILE A 122 -1.172 -3.803 -3.181 1.00 1.47 C ATOM 2030 CD1 ILE A 122 -2.199 -4.222 -0.174 1.00 1.23 C ATOM 0 H ILE A 122 -2.280 -3.899 -5.264 1.00 0.64 H new ATOM 0 HA ILE A 122 -4.602 -3.905 -3.369 1.00 0.62 H new ATOM 0 HB ILE A 122 -2.727 -5.129 -2.498 1.00 0.69 H new ATOM 0 HG12 ILE A 122 -2.215 -2.386 -1.318 1.00 1.23 H new ATOM 0 HG13 ILE A 122 -3.797 -3.114 -1.122 1.00 1.23 H new ATOM 0 HG21 ILE A 122 -0.435 -4.177 -2.470 1.00 1.47 H new ATOM 0 HG22 ILE A 122 -1.050 -4.317 -4.135 1.00 1.47 H new ATOM 0 HG23 ILE A 122 -1.027 -2.732 -3.324 1.00 1.47 H new ATOM 0 HD11 ILE A 122 -2.317 -3.710 0.781 1.00 1.23 H new ATOM 0 HD12 ILE A 122 -2.749 -5.163 -0.151 1.00 1.23 H new ATOM 0 HD13 ILE A 122 -1.142 -4.423 -0.350 1.00 1.23 H new ATOM 2042 N TYR A 123 -4.742 -1.416 -3.285 1.00 0.53 N ATOM 2043 CA TYR A 123 -4.814 0.071 -3.236 1.00 0.54 C ATOM 2044 C TYR A 123 -4.961 0.513 -1.782 1.00 0.54 C ATOM 2045 O TYR A 123 -5.961 0.250 -1.143 1.00 0.65 O ATOM 2046 CB TYR A 123 -6.020 0.552 -4.042 1.00 0.56 C ATOM 2047 CG TYR A 123 -5.681 0.533 -5.512 1.00 0.62 C ATOM 2048 CD1 TYR A 123 -5.192 -0.640 -6.103 1.00 1.17 C ATOM 2049 CD2 TYR A 123 -5.853 1.688 -6.285 1.00 1.52 C ATOM 2050 CE1 TYR A 123 -4.875 -0.656 -7.468 1.00 1.17 C ATOM 2051 CE2 TYR A 123 -5.536 1.672 -7.650 1.00 1.66 C ATOM 2052 CZ TYR A 123 -5.047 0.500 -8.241 1.00 0.92 C ATOM 2053 OH TYR A 123 -4.735 0.484 -9.585 1.00 1.10 O ATOM 0 H TYR A 123 -5.608 -1.901 -3.051 1.00 0.53 H new ATOM 0 HA TYR A 123 -3.906 0.498 -3.661 1.00 0.54 H new ATOM 0 HB2 TYR A 123 -6.880 -0.089 -3.848 1.00 0.56 H new ATOM 0 HB3 TYR A 123 -6.298 1.560 -3.735 1.00 0.56 H new ATOM 0 HD1 TYR A 123 -5.060 -1.531 -5.507 1.00 1.17 H new ATOM 0 HD2 TYR A 123 -6.230 2.591 -5.829 1.00 1.52 H new ATOM 0 HE1 TYR A 123 -4.498 -1.559 -7.924 1.00 1.17 H new ATOM 0 HE2 TYR A 123 -5.669 2.563 -8.246 1.00 1.66 H new ATOM 0 HH TYR A 123 -4.914 1.366 -9.973 1.00 1.10 H new ATOM 2063 N LEU A 124 -3.975 1.180 -1.250 1.00 0.60 N ATOM 2064 CA LEU A 124 -4.069 1.629 0.167 1.00 0.67 C ATOM 2065 C LEU A 124 -4.368 3.127 0.219 1.00 0.61 C ATOM 2066 O LEU A 124 -3.562 3.946 -0.175 1.00 0.66 O ATOM 2067 CB LEU A 124 -2.746 1.350 0.880 1.00 0.81 C ATOM 2068 CG LEU A 124 -2.931 1.532 2.388 1.00 1.08 C ATOM 2069 CD1 LEU A 124 -3.958 0.522 2.903 1.00 1.64 C ATOM 2070 CD2 LEU A 124 -1.595 1.303 3.097 1.00 1.53 C ATOM 0 H LEU A 124 -3.112 1.433 -1.732 1.00 0.60 H new ATOM 0 HA LEU A 124 -4.873 1.085 0.662 1.00 0.67 H new ATOM 0 HB2 LEU A 124 -2.411 0.336 0.664 1.00 0.81 H new ATOM 0 HB3 LEU A 124 -1.973 2.026 0.513 1.00 0.81 H new ATOM 0 HG LEU A 124 -3.283 2.544 2.590 1.00 1.08 H new ATOM 0 HD11 LEU A 124 -4.089 0.652 3.977 1.00 1.64 H new ATOM 0 HD12 LEU A 124 -4.911 0.683 2.399 1.00 1.64 H new ATOM 0 HD13 LEU A 124 -3.607 -0.490 2.700 1.00 1.64 H new ATOM 0 HD21 LEU A 124 -1.726 1.433 4.171 1.00 1.53 H new ATOM 0 HD22 LEU A 124 -1.244 0.291 2.894 1.00 1.53 H new ATOM 0 HD23 LEU A 124 -0.861 2.022 2.732 1.00 1.53 H new ATOM 2082 N ILE A 125 -5.521 3.492 0.709 1.00 0.58 N ATOM 2083 CA ILE A 125 -5.872 4.939 0.795 1.00 0.56 C ATOM 2084 C ILE A 125 -5.483 5.452 2.181 1.00 0.53 C ATOM 2085 O ILE A 125 -6.078 5.086 3.175 1.00 0.59 O ATOM 2086 CB ILE A 125 -7.381 5.140 0.589 1.00 0.63 C ATOM 2087 CG1 ILE A 125 -8.018 3.866 0.021 1.00 0.93 C ATOM 2088 CG2 ILE A 125 -7.610 6.294 -0.388 1.00 0.81 C ATOM 2089 CD1 ILE A 125 -9.481 4.142 -0.329 1.00 1.21 C ATOM 0 H ILE A 125 -6.236 2.851 1.054 1.00 0.58 H new ATOM 0 HA ILE A 125 -5.337 5.486 0.018 1.00 0.56 H new ATOM 0 HB ILE A 125 -7.840 5.368 1.551 1.00 0.63 H new ATOM 0 HG12 ILE A 125 -7.476 3.540 -0.866 1.00 0.93 H new ATOM 0 HG13 ILE A 125 -7.953 3.058 0.750 1.00 0.93 H new ATOM 0 HG21 ILE A 125 -8.680 6.439 -0.536 1.00 0.81 H new ATOM 0 HG22 ILE A 125 -7.173 7.206 0.018 1.00 0.81 H new ATOM 0 HG23 ILE A 125 -7.140 6.061 -1.343 1.00 0.81 H new ATOM 0 HD11 ILE A 125 -9.935 3.237 -0.733 1.00 1.21 H new ATOM 0 HD12 ILE A 125 -10.018 4.448 0.569 1.00 1.21 H new ATOM 0 HD13 ILE A 125 -9.533 4.937 -1.072 1.00 1.21 H new ATOM 2101 N VAL A 126 -4.490 6.292 2.263 1.00 0.52 N ATOM 2102 CA VAL A 126 -4.077 6.813 3.597 1.00 0.56 C ATOM 2103 C VAL A 126 -3.948 8.335 3.538 1.00 0.56 C ATOM 2104 O VAL A 126 -3.914 8.924 2.478 1.00 0.70 O ATOM 2105 CB VAL A 126 -2.734 6.197 3.993 1.00 0.66 C ATOM 2106 CG1 VAL A 126 -2.868 4.674 4.061 1.00 1.45 C ATOM 2107 CG2 VAL A 126 -1.676 6.565 2.952 1.00 1.34 C ATOM 0 H VAL A 126 -3.949 6.639 1.471 1.00 0.52 H new ATOM 0 HA VAL A 126 -4.830 6.546 4.338 1.00 0.56 H new ATOM 0 HB VAL A 126 -2.436 6.580 4.969 1.00 0.66 H new ATOM 0 HG11 VAL A 126 -1.910 4.237 4.343 1.00 1.45 H new ATOM 0 HG12 VAL A 126 -3.621 4.408 4.803 1.00 1.45 H new ATOM 0 HG13 VAL A 126 -3.168 4.291 3.086 1.00 1.45 H new ATOM 0 HG21 VAL A 126 -0.719 6.126 3.235 1.00 1.34 H new ATOM 0 HG22 VAL A 126 -1.977 6.183 1.977 1.00 1.34 H new ATOM 0 HG23 VAL A 126 -1.577 7.649 2.902 1.00 1.34 H new ATOM 2117 N GLU A 127 -3.880 8.978 4.671 1.00 0.75 N ATOM 2118 CA GLU A 127 -3.756 10.462 4.678 1.00 0.87 C ATOM 2119 C GLU A 127 -2.800 10.890 5.792 1.00 0.96 C ATOM 2120 O GLU A 127 -3.186 11.023 6.937 1.00 1.68 O ATOM 2121 CB GLU A 127 -5.132 11.083 4.923 1.00 1.01 C ATOM 2122 CG GLU A 127 -5.661 10.626 6.284 1.00 1.73 C ATOM 2123 CD GLU A 127 -7.179 10.451 6.211 1.00 2.32 C ATOM 2124 OE1 GLU A 127 -7.690 10.336 5.109 1.00 2.69 O ATOM 2125 OE2 GLU A 127 -7.805 10.434 7.258 1.00 2.95 O ATOM 0 H GLU A 127 -3.905 8.540 5.592 1.00 0.75 H new ATOM 0 HA GLU A 127 -3.367 10.800 3.717 1.00 0.87 H new ATOM 0 HB2 GLU A 127 -5.063 12.170 4.894 1.00 1.01 H new ATOM 0 HB3 GLU A 127 -5.823 10.786 4.134 1.00 1.01 H new ATOM 0 HG2 GLU A 127 -5.190 9.686 6.572 1.00 1.73 H new ATOM 0 HG3 GLU A 127 -5.405 11.359 7.050 1.00 1.73 H new ATOM 2132 N GLU A 128 -1.556 11.109 5.467 1.00 0.77 N ATOM 2133 CA GLU A 128 -0.579 11.531 6.509 1.00 0.78 C ATOM 2134 C GLU A 128 0.845 11.340 5.985 1.00 0.74 C ATOM 2135 O GLU A 128 1.458 12.259 5.479 1.00 0.93 O ATOM 2136 CB GLU A 128 -0.778 10.686 7.771 1.00 0.80 C ATOM 2137 CG GLU A 128 -1.282 11.581 8.905 1.00 1.56 C ATOM 2138 CD GLU A 128 -1.028 10.898 10.250 1.00 2.01 C ATOM 2139 OE1 GLU A 128 -0.564 9.770 10.241 1.00 2.76 O ATOM 2140 OE2 GLU A 128 -1.302 11.515 11.267 1.00 2.31 O ATOM 0 H GLU A 128 -1.174 11.014 4.526 1.00 0.77 H new ATOM 0 HA GLU A 128 -0.738 12.582 6.748 1.00 0.78 H new ATOM 0 HB2 GLU A 128 -1.493 9.887 7.578 1.00 0.80 H new ATOM 0 HB3 GLU A 128 0.161 10.212 8.057 1.00 0.80 H new ATOM 0 HG2 GLU A 128 -0.774 12.545 8.874 1.00 1.56 H new ATOM 0 HG3 GLU A 128 -2.347 11.777 8.781 1.00 1.56 H new ATOM 2147 N GLY A 129 1.381 10.156 6.101 1.00 0.81 N ATOM 2148 CA GLY A 129 2.765 9.918 5.607 1.00 0.80 C ATOM 2149 C GLY A 129 2.975 8.424 5.356 1.00 0.77 C ATOM 2150 O GLY A 129 4.090 7.947 5.311 1.00 0.92 O ATOM 0 H GLY A 129 0.921 9.345 6.516 1.00 0.81 H new ATOM 0 HA2 GLY A 129 2.934 10.478 4.687 1.00 0.80 H new ATOM 0 HA3 GLY A 129 3.489 10.279 6.338 1.00 0.80 H new ATOM 2154 N PHE A 130 1.915 7.680 5.190 1.00 0.67 N ATOM 2155 CA PHE A 130 2.068 6.219 4.939 1.00 0.69 C ATOM 2156 C PHE A 130 2.651 6.013 3.541 1.00 0.68 C ATOM 2157 O PHE A 130 3.506 5.174 3.332 1.00 0.71 O ATOM 2158 CB PHE A 130 0.703 5.535 5.032 1.00 0.75 C ATOM 2159 CG PHE A 130 0.895 4.048 5.211 1.00 0.69 C ATOM 2160 CD1 PHE A 130 1.230 3.530 6.469 1.00 1.49 C ATOM 2161 CD2 PHE A 130 0.738 3.186 4.117 1.00 1.28 C ATOM 2162 CE1 PHE A 130 1.407 2.149 6.634 1.00 1.47 C ATOM 2163 CE2 PHE A 130 0.914 1.806 4.282 1.00 1.30 C ATOM 2164 CZ PHE A 130 1.249 1.288 5.540 1.00 0.70 C ATOM 0 H PHE A 130 0.953 8.019 5.217 1.00 0.67 H new ATOM 0 HA PHE A 130 2.735 5.786 5.684 1.00 0.69 H new ATOM 0 HB2 PHE A 130 0.137 5.943 5.869 1.00 0.75 H new ATOM 0 HB3 PHE A 130 0.124 5.732 4.130 1.00 0.75 H new ATOM 0 HD1 PHE A 130 1.352 4.195 7.312 1.00 1.49 H new ATOM 0 HD2 PHE A 130 0.481 3.586 3.147 1.00 1.28 H new ATOM 0 HE1 PHE A 130 1.665 1.749 7.604 1.00 1.47 H new ATOM 0 HE2 PHE A 130 0.791 1.141 3.440 1.00 1.30 H new ATOM 0 HZ PHE A 130 1.386 0.224 5.667 1.00 0.70 H new ATOM 2174 N TYR A 131 2.200 6.774 2.580 1.00 0.67 N ATOM 2175 CA TYR A 131 2.736 6.622 1.200 1.00 0.69 C ATOM 2176 C TYR A 131 4.213 7.020 1.198 1.00 0.67 C ATOM 2177 O TYR A 131 5.002 6.518 0.422 1.00 0.68 O ATOM 2178 CB TYR A 131 1.955 7.526 0.239 1.00 0.69 C ATOM 2179 CG TYR A 131 2.709 7.653 -1.064 1.00 0.71 C ATOM 2180 CD1 TYR A 131 3.007 6.509 -1.817 1.00 1.41 C ATOM 2181 CD2 TYR A 131 3.113 8.915 -1.520 1.00 1.32 C ATOM 2182 CE1 TYR A 131 3.707 6.627 -3.025 1.00 1.45 C ATOM 2183 CE2 TYR A 131 3.814 9.033 -2.727 1.00 1.34 C ATOM 2184 CZ TYR A 131 4.111 7.890 -3.479 1.00 0.80 C ATOM 2185 OH TYR A 131 4.801 8.007 -4.669 1.00 0.87 O ATOM 0 H TYR A 131 1.485 7.493 2.692 1.00 0.67 H new ATOM 0 HA TYR A 131 2.632 5.587 0.875 1.00 0.69 H new ATOM 0 HB2 TYR A 131 0.964 7.111 0.058 1.00 0.69 H new ATOM 0 HB3 TYR A 131 1.812 8.510 0.685 1.00 0.69 H new ATOM 0 HD1 TYR A 131 2.697 5.536 -1.466 1.00 1.41 H new ATOM 0 HD2 TYR A 131 2.884 9.797 -0.941 1.00 1.32 H new ATOM 0 HE1 TYR A 131 3.935 5.746 -3.606 1.00 1.45 H new ATOM 0 HE2 TYR A 131 4.125 10.006 -3.078 1.00 1.34 H new ATOM 0 HH TYR A 131 5.005 8.951 -4.838 1.00 0.87 H new ATOM 2195 N LYS A 132 4.591 7.920 2.065 1.00 0.70 N ATOM 2196 CA LYS A 132 6.015 8.351 2.118 1.00 0.72 C ATOM 2197 C LYS A 132 6.819 7.334 2.927 1.00 0.75 C ATOM 2198 O LYS A 132 8.004 7.161 2.726 1.00 0.81 O ATOM 2199 CB LYS A 132 6.106 9.728 2.777 1.00 0.72 C ATOM 2200 CG LYS A 132 5.228 10.714 2.004 1.00 0.75 C ATOM 2201 CD LYS A 132 6.112 11.743 1.298 1.00 1.24 C ATOM 2202 CE LYS A 132 5.465 12.145 -0.029 1.00 1.30 C ATOM 2203 NZ LYS A 132 6.401 13.017 -0.794 1.00 1.93 N ATOM 0 H LYS A 132 3.974 8.375 2.738 1.00 0.70 H new ATOM 0 HA LYS A 132 6.420 8.411 1.108 1.00 0.72 H new ATOM 0 HB2 LYS A 132 5.781 9.670 3.816 1.00 0.72 H new ATOM 0 HB3 LYS A 132 7.140 10.073 2.786 1.00 0.72 H new ATOM 0 HG2 LYS A 132 4.620 10.180 1.274 1.00 0.75 H new ATOM 0 HG3 LYS A 132 4.541 11.216 2.685 1.00 0.75 H new ATOM 0 HD2 LYS A 132 6.244 12.620 1.931 1.00 1.24 H new ATOM 0 HD3 LYS A 132 7.103 11.326 1.120 1.00 1.24 H new ATOM 0 HE2 LYS A 132 5.221 11.256 -0.611 1.00 1.30 H new ATOM 0 HE3 LYS A 132 4.529 12.672 0.155 1.00 1.30 H new ATOM 0 HZ1 LYS A 132 5.962 13.291 -1.696 1.00 1.93 H new ATOM 0 HZ2 LYS A 132 6.612 13.871 -0.239 1.00 1.93 H new ATOM 0 HZ3 LYS A 132 7.283 12.499 -0.982 1.00 1.93 H new ATOM 2217 N ARG A 133 6.180 6.652 3.838 1.00 0.74 N ATOM 2218 CA ARG A 133 6.903 5.640 4.654 1.00 0.79 C ATOM 2219 C ARG A 133 7.222 4.436 3.766 1.00 0.82 C ATOM 2220 O ARG A 133 8.030 3.594 4.106 1.00 0.92 O ATOM 2221 CB ARG A 133 6.020 5.197 5.823 1.00 0.86 C ATOM 2222 CG ARG A 133 6.834 4.319 6.775 1.00 0.95 C ATOM 2223 CD ARG A 133 6.306 4.483 8.202 1.00 1.41 C ATOM 2224 NE ARG A 133 7.295 3.924 9.167 1.00 1.57 N ATOM 2225 CZ ARG A 133 7.501 4.519 10.310 1.00 1.99 C ATOM 2226 NH1 ARG A 133 8.333 5.522 10.383 1.00 2.58 N ATOM 2227 NH2 ARG A 133 6.878 4.110 11.382 1.00 2.39 N ATOM 0 H ARG A 133 5.188 6.753 4.051 1.00 0.74 H new ATOM 0 HA ARG A 133 7.825 6.068 5.048 1.00 0.79 H new ATOM 0 HB2 ARG A 133 5.637 6.069 6.354 1.00 0.86 H new ATOM 0 HB3 ARG A 133 5.157 4.645 5.451 1.00 0.86 H new ATOM 0 HG2 ARG A 133 6.767 3.275 6.470 1.00 0.95 H new ATOM 0 HG3 ARG A 133 7.887 4.597 6.732 1.00 0.95 H new ATOM 0 HD2 ARG A 133 6.129 5.537 8.416 1.00 1.41 H new ATOM 0 HD3 ARG A 133 5.350 3.971 8.308 1.00 1.41 H new ATOM 0 HE ARG A 133 7.811 3.076 8.934 1.00 1.57 H new ATOM 0 HH11 ARG A 133 8.822 5.841 9.547 1.00 2.58 H new ATOM 0 HH12 ARG A 133 8.494 5.987 11.276 1.00 2.58 H new ATOM 0 HH21 ARG A 133 6.230 3.325 11.327 1.00 2.39 H new ATOM 0 HH22 ARG A 133 7.040 4.576 12.275 1.00 2.39 H new ATOM 2241 N THR A 134 6.589 4.356 2.627 1.00 0.79 N ATOM 2242 CA THR A 134 6.843 3.218 1.703 1.00 0.82 C ATOM 2243 C THR A 134 7.920 3.620 0.693 1.00 0.76 C ATOM 2244 O THR A 134 8.991 3.046 0.651 1.00 0.80 O ATOM 2245 CB THR A 134 5.548 2.875 0.959 1.00 0.93 C ATOM 2246 OG1 THR A 134 4.638 3.960 1.072 1.00 1.38 O ATOM 2247 CG2 THR A 134 4.923 1.621 1.567 1.00 1.23 C ATOM 0 H THR A 134 5.903 5.035 2.297 1.00 0.79 H new ATOM 0 HA THR A 134 7.180 2.350 2.269 1.00 0.82 H new ATOM 0 HB THR A 134 5.771 2.693 -0.092 1.00 0.93 H new ATOM 0 HG1 THR A 134 4.995 4.738 0.595 1.00 1.38 H new ATOM 0 HG21 THR A 134 4.002 1.379 1.036 1.00 1.23 H new ATOM 0 HG22 THR A 134 5.621 0.788 1.481 1.00 1.23 H new ATOM 0 HG23 THR A 134 4.699 1.799 2.619 1.00 1.23 H new ATOM 2255 N LEU A 135 7.645 4.604 -0.120 1.00 0.73 N ATOM 2256 CA LEU A 135 8.650 5.047 -1.126 1.00 0.70 C ATOM 2257 C LEU A 135 9.989 5.296 -0.426 1.00 0.63 C ATOM 2258 O LEU A 135 11.034 5.295 -1.045 1.00 0.62 O ATOM 2259 CB LEU A 135 8.158 6.338 -1.796 1.00 0.74 C ATOM 2260 CG LEU A 135 9.333 7.086 -2.439 1.00 0.75 C ATOM 2261 CD1 LEU A 135 8.819 7.940 -3.600 1.00 0.87 C ATOM 2262 CD2 LEU A 135 9.989 7.991 -1.393 1.00 0.88 C ATOM 0 H LEU A 135 6.766 5.121 -0.130 1.00 0.73 H new ATOM 0 HA LEU A 135 8.782 4.277 -1.886 1.00 0.70 H new ATOM 0 HB2 LEU A 135 7.411 6.101 -2.554 1.00 0.74 H new ATOM 0 HB3 LEU A 135 7.672 6.976 -1.058 1.00 0.74 H new ATOM 0 HG LEU A 135 10.063 6.368 -2.812 1.00 0.75 H new ATOM 0 HD11 LEU A 135 9.653 8.472 -4.058 1.00 0.87 H new ATOM 0 HD12 LEU A 135 8.347 7.297 -4.343 1.00 0.87 H new ATOM 0 HD13 LEU A 135 8.090 8.660 -3.227 1.00 0.87 H new ATOM 0 HD21 LEU A 135 10.825 8.524 -1.846 1.00 0.88 H new ATOM 0 HD22 LEU A 135 9.257 8.710 -1.023 1.00 0.88 H new ATOM 0 HD23 LEU A 135 10.353 7.384 -0.564 1.00 0.88 H new ATOM 2274 N ASP A 136 9.964 5.513 0.860 1.00 0.86 N ATOM 2275 CA ASP A 136 11.234 5.765 1.595 1.00 0.86 C ATOM 2276 C ASP A 136 11.809 4.444 2.112 1.00 0.76 C ATOM 2277 O ASP A 136 11.404 3.940 3.141 1.00 0.87 O ATOM 2278 CB ASP A 136 10.960 6.695 2.779 1.00 1.12 C ATOM 2279 CG ASP A 136 12.245 7.435 3.157 1.00 1.65 C ATOM 2280 OD1 ASP A 136 12.996 6.906 3.960 1.00 2.38 O ATOM 2281 OD2 ASP A 136 12.455 8.517 2.635 1.00 2.21 O ATOM 0 H ASP A 136 9.120 5.527 1.433 1.00 0.86 H new ATOM 0 HA ASP A 136 11.952 6.229 0.919 1.00 0.86 H new ATOM 0 HB2 ASP A 136 10.179 7.410 2.520 1.00 1.12 H new ATOM 0 HB3 ASP A 136 10.596 6.120 3.630 1.00 1.12 H new ATOM 2286 N ILE A 137 12.760 3.883 1.412 1.00 0.62 N ATOM 2287 CA ILE A 137 13.369 2.600 1.871 1.00 0.61 C ATOM 2288 C ILE A 137 14.467 2.913 2.883 1.00 0.67 C ATOM 2289 O ILE A 137 15.227 2.053 3.283 1.00 1.27 O ATOM 2290 CB ILE A 137 13.982 1.865 0.675 1.00 0.53 C ATOM 2291 CG1 ILE A 137 15.311 2.514 0.277 1.00 0.59 C ATOM 2292 CG2 ILE A 137 13.028 1.937 -0.505 1.00 0.56 C ATOM 2293 CD1 ILE A 137 15.993 1.650 -0.780 1.00 0.77 C ATOM 0 H ILE A 137 13.141 4.258 0.543 1.00 0.62 H new ATOM 0 HA ILE A 137 12.604 1.972 2.328 1.00 0.61 H new ATOM 0 HB ILE A 137 14.157 0.826 0.954 1.00 0.53 H new ATOM 0 HG12 ILE A 137 15.138 3.517 -0.112 1.00 0.59 H new ATOM 0 HG13 ILE A 137 15.955 2.618 1.150 1.00 0.59 H new ATOM 0 HG21 ILE A 137 13.463 1.414 -1.357 1.00 0.56 H new ATOM 0 HG22 ILE A 137 12.081 1.468 -0.237 1.00 0.56 H new ATOM 0 HG23 ILE A 137 12.854 2.980 -0.769 1.00 0.56 H new ATOM 0 HD11 ILE A 137 16.940 2.107 -1.068 1.00 0.77 H new ATOM 0 HD12 ILE A 137 16.178 0.656 -0.373 1.00 0.77 H new ATOM 0 HD13 ILE A 137 15.348 1.569 -1.655 1.00 0.77 H new ATOM 2305 N HIS A 138 14.561 4.144 3.287 1.00 0.45 N ATOM 2306 CA HIS A 138 15.609 4.537 4.256 1.00 0.47 C ATOM 2307 C HIS A 138 15.129 4.267 5.684 1.00 0.47 C ATOM 2308 O HIS A 138 15.706 4.726 6.649 1.00 0.54 O ATOM 2309 CB HIS A 138 15.925 6.009 4.016 1.00 0.53 C ATOM 2310 CG HIS A 138 16.090 6.178 2.528 1.00 0.63 C ATOM 2311 ND1 HIS A 138 15.352 7.088 1.785 1.00 0.93 N ATOM 2312 CD2 HIS A 138 16.861 5.494 1.620 1.00 1.49 C ATOM 2313 CE1 HIS A 138 15.690 6.918 0.490 1.00 0.72 C ATOM 2314 NE2 HIS A 138 16.607 5.963 0.338 1.00 1.26 N ATOM 0 H HIS A 138 13.949 4.901 2.983 1.00 0.45 H new ATOM 0 HA HIS A 138 16.519 3.952 4.121 1.00 0.47 H new ATOM 0 HB2 HIS A 138 15.122 6.644 4.391 1.00 0.53 H new ATOM 0 HB3 HIS A 138 16.834 6.301 4.542 1.00 0.53 H new ATOM 0 HD1 HIS A 138 14.678 7.761 2.150 1.00 0.93 H new ATOM 0 HD2 HIS A 138 17.560 4.709 1.866 1.00 1.49 H new ATOM 0 HE1 HIS A 138 15.268 7.487 -0.325 1.00 0.72 H new ATOM 2322 N ARG A 139 14.076 3.505 5.814 1.00 0.46 N ATOM 2323 CA ARG A 139 13.541 3.165 7.160 1.00 0.50 C ATOM 2324 C ARG A 139 13.470 1.635 7.286 1.00 0.46 C ATOM 2325 O ARG A 139 13.247 1.099 8.353 1.00 0.50 O ATOM 2326 CB ARG A 139 12.140 3.761 7.323 1.00 0.55 C ATOM 2327 CG ARG A 139 12.189 4.917 8.324 1.00 1.21 C ATOM 2328 CD ARG A 139 13.261 5.920 7.894 1.00 1.42 C ATOM 2329 NE ARG A 139 12.753 7.307 8.094 1.00 2.00 N ATOM 2330 CZ ARG A 139 13.580 8.263 8.416 1.00 2.52 C ATOM 2331 NH1 ARG A 139 14.824 8.211 8.023 1.00 2.89 N ATOM 2332 NH2 ARG A 139 13.164 9.273 9.130 1.00 3.26 N ATOM 0 H ARG A 139 13.559 3.100 5.034 1.00 0.46 H new ATOM 0 HA ARG A 139 14.191 3.573 7.934 1.00 0.50 H new ATOM 0 HB2 ARG A 139 11.770 4.115 6.361 1.00 0.55 H new ATOM 0 HB3 ARG A 139 11.446 2.995 7.670 1.00 0.55 H new ATOM 0 HG2 ARG A 139 11.217 5.408 8.377 1.00 1.21 H new ATOM 0 HG3 ARG A 139 12.410 4.539 9.322 1.00 1.21 H new ATOM 0 HD2 ARG A 139 14.171 5.767 8.475 1.00 1.42 H new ATOM 0 HD3 ARG A 139 13.521 5.764 6.847 1.00 1.42 H new ATOM 0 HE ARG A 139 11.760 7.508 7.979 1.00 2.00 H new ATOM 0 HH11 ARG A 139 15.150 7.423 7.464 1.00 2.89 H new ATOM 0 HH12 ARG A 139 15.470 8.959 8.275 1.00 2.89 H new ATOM 0 HH21 ARG A 139 12.192 9.315 9.436 1.00 3.26 H new ATOM 0 HH22 ARG A 139 13.811 10.020 9.382 1.00 3.26 H new ATOM 2346 N THR A 140 13.657 0.931 6.186 1.00 0.41 N ATOM 2347 CA THR A 140 13.609 -0.569 6.184 1.00 0.40 C ATOM 2348 C THR A 140 12.169 -1.054 6.388 1.00 0.40 C ATOM 2349 O THR A 140 11.888 -2.235 6.305 1.00 0.43 O ATOM 2350 CB THR A 140 14.527 -1.161 7.268 1.00 0.46 C ATOM 2351 OG1 THR A 140 13.745 -1.616 8.364 1.00 0.50 O ATOM 2352 CG2 THR A 140 15.539 -0.118 7.755 1.00 0.58 C ATOM 0 H THR A 140 13.844 1.345 5.273 1.00 0.41 H new ATOM 0 HA THR A 140 13.968 -0.914 5.214 1.00 0.40 H new ATOM 0 HB THR A 140 15.074 -1.999 6.836 1.00 0.46 H new ATOM 0 HG1 THR A 140 13.269 -0.858 8.763 1.00 0.50 H new ATOM 0 HG21 THR A 140 16.177 -0.560 8.521 1.00 0.58 H new ATOM 0 HG22 THR A 140 16.153 0.212 6.917 1.00 0.58 H new ATOM 0 HG23 THR A 140 15.008 0.737 8.174 1.00 0.58 H new ATOM 2360 N LEU A 141 11.252 -0.161 6.637 1.00 0.41 N ATOM 2361 CA LEU A 141 9.839 -0.583 6.829 1.00 0.46 C ATOM 2362 C LEU A 141 9.151 -0.556 5.469 1.00 0.49 C ATOM 2363 O LEU A 141 8.525 -1.512 5.056 1.00 0.56 O ATOM 2364 CB LEU A 141 9.138 0.385 7.785 1.00 0.49 C ATOM 2365 CG LEU A 141 7.667 -0.006 7.924 1.00 0.58 C ATOM 2366 CD1 LEU A 141 7.104 0.584 9.219 1.00 0.97 C ATOM 2367 CD2 LEU A 141 6.879 0.542 6.732 1.00 0.80 C ATOM 0 H LEU A 141 11.421 0.842 6.716 1.00 0.41 H new ATOM 0 HA LEU A 141 9.795 -1.585 7.255 1.00 0.46 H new ATOM 0 HB2 LEU A 141 9.624 0.364 8.760 1.00 0.49 H new ATOM 0 HB3 LEU A 141 9.220 1.405 7.410 1.00 0.49 H new ATOM 0 HG LEU A 141 7.580 -1.092 7.950 1.00 0.58 H new ATOM 0 HD11 LEU A 141 6.055 0.306 9.320 1.00 0.97 H new ATOM 0 HD12 LEU A 141 7.665 0.197 10.069 1.00 0.97 H new ATOM 0 HD13 LEU A 141 7.190 1.670 9.192 1.00 0.97 H new ATOM 0 HD21 LEU A 141 5.830 0.264 6.830 1.00 0.80 H new ATOM 0 HD22 LEU A 141 6.965 1.628 6.707 1.00 0.80 H new ATOM 0 HD23 LEU A 141 7.280 0.125 5.808 1.00 0.80 H new ATOM 2379 N GLY A 142 9.278 0.532 4.761 1.00 0.51 N ATOM 2380 CA GLY A 142 8.647 0.617 3.420 1.00 0.59 C ATOM 2381 C GLY A 142 9.396 -0.326 2.484 1.00 0.58 C ATOM 2382 O GLY A 142 8.829 -0.896 1.576 1.00 0.80 O ATOM 0 H GLY A 142 9.791 1.363 5.055 1.00 0.51 H new ATOM 0 HA2 GLY A 142 7.594 0.341 3.476 1.00 0.59 H new ATOM 0 HA3 GLY A 142 8.688 1.639 3.044 1.00 0.59 H new ATOM 2386 N LEU A 143 10.675 -0.497 2.709 1.00 0.47 N ATOM 2387 CA LEU A 143 11.477 -1.408 1.844 1.00 0.49 C ATOM 2388 C LEU A 143 11.023 -2.845 2.081 1.00 0.47 C ATOM 2389 O LEU A 143 10.858 -3.618 1.158 1.00 0.55 O ATOM 2390 CB LEU A 143 12.958 -1.290 2.203 1.00 0.55 C ATOM 2391 CG LEU A 143 13.774 -2.192 1.275 1.00 0.77 C ATOM 2392 CD1 LEU A 143 14.779 -1.350 0.488 1.00 1.67 C ATOM 2393 CD2 LEU A 143 14.523 -3.235 2.107 1.00 1.58 C ATOM 0 H LEU A 143 11.197 -0.042 3.458 1.00 0.47 H new ATOM 0 HA LEU A 143 11.333 -1.135 0.799 1.00 0.49 H new ATOM 0 HB2 LEU A 143 13.287 -0.255 2.106 1.00 0.55 H new ATOM 0 HB3 LEU A 143 13.117 -1.578 3.242 1.00 0.55 H new ATOM 0 HG LEU A 143 13.102 -2.694 0.579 1.00 0.77 H new ATOM 0 HD11 LEU A 143 15.358 -1.997 -0.172 1.00 1.67 H new ATOM 0 HD12 LEU A 143 14.246 -0.609 -0.107 1.00 1.67 H new ATOM 0 HD13 LEU A 143 15.451 -0.844 1.181 1.00 1.67 H new ATOM 0 HD21 LEU A 143 15.105 -3.878 1.446 1.00 1.58 H new ATOM 0 HD22 LEU A 143 15.192 -2.732 2.805 1.00 1.58 H new ATOM 0 HD23 LEU A 143 13.807 -3.839 2.663 1.00 1.58 H new ATOM 2405 N LEU A 144 10.821 -3.209 3.316 1.00 0.43 N ATOM 2406 CA LEU A 144 10.376 -4.593 3.621 1.00 0.48 C ATOM 2407 C LEU A 144 9.033 -4.855 2.929 1.00 0.56 C ATOM 2408 O LEU A 144 8.780 -5.929 2.432 1.00 0.62 O ATOM 2409 CB LEU A 144 10.222 -4.737 5.135 1.00 0.49 C ATOM 2410 CG LEU A 144 10.348 -6.207 5.527 1.00 0.54 C ATOM 2411 CD1 LEU A 144 11.790 -6.674 5.314 1.00 1.20 C ATOM 2412 CD2 LEU A 144 9.981 -6.362 7.000 1.00 1.32 C ATOM 0 H LEU A 144 10.946 -2.605 4.128 1.00 0.43 H new ATOM 0 HA LEU A 144 11.109 -5.315 3.260 1.00 0.48 H new ATOM 0 HB2 LEU A 144 10.984 -4.148 5.645 1.00 0.49 H new ATOM 0 HB3 LEU A 144 9.254 -4.348 5.450 1.00 0.49 H new ATOM 0 HG LEU A 144 9.679 -6.808 4.912 1.00 0.54 H new ATOM 0 HD11 LEU A 144 11.878 -7.724 5.594 1.00 1.20 H new ATOM 0 HD12 LEU A 144 12.060 -6.555 4.265 1.00 1.20 H new ATOM 0 HD13 LEU A 144 12.461 -6.076 5.931 1.00 1.20 H new ATOM 0 HD21 LEU A 144 10.068 -7.410 7.288 1.00 1.32 H new ATOM 0 HD22 LEU A 144 10.656 -5.761 7.608 1.00 1.32 H new ATOM 0 HD23 LEU A 144 8.956 -6.027 7.157 1.00 1.32 H new ATOM 2424 N LEU A 145 8.166 -3.881 2.890 1.00 0.62 N ATOM 2425 CA LEU A 145 6.848 -4.090 2.223 1.00 0.74 C ATOM 2426 C LEU A 145 6.901 -3.546 0.786 1.00 0.71 C ATOM 2427 O LEU A 145 5.903 -3.488 0.102 1.00 0.82 O ATOM 2428 CB LEU A 145 5.756 -3.364 3.014 1.00 0.90 C ATOM 2429 CG LEU A 145 5.852 -1.859 2.759 1.00 1.12 C ATOM 2430 CD1 LEU A 145 5.040 -1.502 1.513 1.00 1.57 C ATOM 2431 CD2 LEU A 145 5.293 -1.102 3.966 1.00 1.48 C ATOM 0 H LEU A 145 8.311 -2.953 3.289 1.00 0.62 H new ATOM 0 HA LEU A 145 6.622 -5.156 2.191 1.00 0.74 H new ATOM 0 HB2 LEU A 145 4.773 -3.731 2.718 1.00 0.90 H new ATOM 0 HB3 LEU A 145 5.866 -3.570 4.079 1.00 0.90 H new ATOM 0 HG LEU A 145 6.895 -1.581 2.606 1.00 1.12 H new ATOM 0 HD11 LEU A 145 5.107 -0.430 1.330 1.00 1.57 H new ATOM 0 HD12 LEU A 145 5.436 -2.043 0.653 1.00 1.57 H new ATOM 0 HD13 LEU A 145 3.997 -1.779 1.667 1.00 1.57 H new ATOM 0 HD21 LEU A 145 5.361 -0.029 3.786 1.00 1.48 H new ATOM 0 HD22 LEU A 145 4.250 -1.379 4.118 1.00 1.48 H new ATOM 0 HD23 LEU A 145 5.870 -1.358 4.855 1.00 1.48 H new ATOM 2443 N HIS A 146 8.057 -3.142 0.329 1.00 0.65 N ATOM 2444 CA HIS A 146 8.172 -2.592 -1.059 1.00 0.66 C ATOM 2445 C HIS A 146 8.596 -3.687 -2.037 1.00 0.60 C ATOM 2446 O HIS A 146 8.111 -3.766 -3.148 1.00 0.72 O ATOM 2447 CB HIS A 146 9.244 -1.502 -1.081 1.00 0.69 C ATOM 2448 CG HIS A 146 8.605 -0.159 -1.276 1.00 0.94 C ATOM 2449 ND1 HIS A 146 8.880 0.634 -2.378 1.00 1.01 N ATOM 2450 CD2 HIS A 146 7.710 0.550 -0.516 1.00 1.88 C ATOM 2451 CE1 HIS A 146 8.165 1.764 -2.252 1.00 1.42 C ATOM 2452 NE2 HIS A 146 7.434 1.764 -1.134 1.00 2.08 N ATOM 0 H HIS A 146 8.930 -3.168 0.856 1.00 0.65 H new ATOM 0 HA HIS A 146 7.201 -2.193 -1.352 1.00 0.66 H new ATOM 0 HB2 HIS A 146 9.806 -1.514 -0.147 1.00 0.69 H new ATOM 0 HB3 HIS A 146 9.955 -1.696 -1.884 1.00 0.69 H new ATOM 0 HD1 HIS A 146 9.511 0.402 -3.145 1.00 1.01 H new ATOM 0 HD2 HIS A 146 7.285 0.216 0.419 1.00 1.88 H new ATOM 0 HE1 HIS A 146 8.179 2.573 -2.967 1.00 1.42 H new ATOM 2460 N THR A 147 9.509 -4.519 -1.635 1.00 0.54 N ATOM 2461 CA THR A 147 9.991 -5.605 -2.534 1.00 0.54 C ATOM 2462 C THR A 147 8.855 -6.572 -2.885 1.00 0.53 C ATOM 2463 O THR A 147 9.016 -7.446 -3.712 1.00 0.71 O ATOM 2464 CB THR A 147 11.113 -6.369 -1.831 1.00 0.58 C ATOM 2465 OG1 THR A 147 11.033 -6.138 -0.433 1.00 0.87 O ATOM 2466 CG2 THR A 147 12.464 -5.878 -2.346 1.00 0.79 C ATOM 0 H THR A 147 9.948 -4.496 -0.715 1.00 0.54 H new ATOM 0 HA THR A 147 10.358 -5.160 -3.459 1.00 0.54 H new ATOM 0 HB THR A 147 11.011 -7.435 -2.035 1.00 0.58 H new ATOM 0 HG1 THR A 147 11.026 -6.996 0.040 1.00 0.87 H new ATOM 0 HG21 THR A 147 13.264 -6.423 -1.845 1.00 0.79 H new ATOM 0 HG22 THR A 147 12.527 -6.048 -3.421 1.00 0.79 H new ATOM 0 HG23 THR A 147 12.566 -4.812 -2.140 1.00 0.79 H new ATOM 2474 N GLN A 148 7.711 -6.436 -2.272 1.00 0.63 N ATOM 2475 CA GLN A 148 6.593 -7.369 -2.595 1.00 0.67 C ATOM 2476 C GLN A 148 5.450 -6.611 -3.277 1.00 0.67 C ATOM 2477 O GLN A 148 4.475 -7.202 -3.700 1.00 0.87 O ATOM 2478 CB GLN A 148 6.077 -8.005 -1.304 1.00 0.74 C ATOM 2479 CG GLN A 148 6.757 -9.358 -1.092 1.00 0.79 C ATOM 2480 CD GLN A 148 6.936 -9.609 0.405 1.00 0.94 C ATOM 2481 OE1 GLN A 148 7.510 -8.698 1.142 1.00 1.37 O flip ATOM 2482 NE2 GLN A 148 6.548 -10.643 0.911 1.00 0.80 N flip ATOM 0 H GLN A 148 7.502 -5.727 -1.569 1.00 0.63 H new ATOM 0 HA GLN A 148 6.960 -8.142 -3.271 1.00 0.67 H new ATOM 0 HB2 GLN A 148 6.279 -7.349 -0.457 1.00 0.74 H new ATOM 0 HB3 GLN A 148 4.996 -8.134 -1.357 1.00 0.74 H new ATOM 0 HG2 GLN A 148 6.157 -10.152 -1.536 1.00 0.79 H new ATOM 0 HG3 GLN A 148 7.725 -9.373 -1.592 1.00 0.79 H new ATOM 0 HE21 GLN A 148 6.099 -11.355 0.335 1.00 0.80 H new ATOM 0 HE22 GLN A 148 6.671 -10.799 1.912 1.00 0.80 H new ATOM 2491 N VAL A 149 5.548 -5.313 -3.390 1.00 0.67 N ATOM 2492 CA VAL A 149 4.448 -4.547 -4.046 1.00 0.66 C ATOM 2493 C VAL A 149 5.005 -3.354 -4.823 1.00 0.68 C ATOM 2494 O VAL A 149 5.760 -2.557 -4.304 1.00 0.88 O ATOM 2495 CB VAL A 149 3.485 -4.020 -2.981 1.00 0.66 C ATOM 2496 CG1 VAL A 149 2.663 -5.175 -2.407 1.00 0.69 C ATOM 2497 CG2 VAL A 149 4.285 -3.358 -1.861 1.00 0.75 C ATOM 0 H VAL A 149 6.335 -4.754 -3.060 1.00 0.67 H new ATOM 0 HA VAL A 149 3.931 -5.217 -4.733 1.00 0.66 H new ATOM 0 HB VAL A 149 2.811 -3.291 -3.432 1.00 0.66 H new ATOM 0 HG11 VAL A 149 1.979 -4.793 -1.649 1.00 0.69 H new ATOM 0 HG12 VAL A 149 2.092 -5.648 -3.206 1.00 0.69 H new ATOM 0 HG13 VAL A 149 3.331 -5.908 -1.956 1.00 0.69 H new ATOM 0 HG21 VAL A 149 3.602 -2.981 -1.100 1.00 0.75 H new ATOM 0 HG22 VAL A 149 4.959 -4.089 -1.414 1.00 0.75 H new ATOM 0 HG23 VAL A 149 4.866 -2.531 -2.269 1.00 0.75 H new ATOM 2507 N SER A 150 4.617 -3.218 -6.061 1.00 0.69 N ATOM 2508 CA SER A 150 5.098 -2.069 -6.875 1.00 0.72 C ATOM 2509 C SER A 150 4.058 -0.957 -6.747 1.00 0.73 C ATOM 2510 O SER A 150 3.031 -0.975 -7.396 1.00 1.01 O ATOM 2511 CB SER A 150 5.230 -2.494 -8.337 1.00 0.80 C ATOM 2512 OG SER A 150 6.179 -1.657 -8.986 1.00 1.08 O ATOM 0 H SER A 150 3.985 -3.856 -6.545 1.00 0.69 H new ATOM 0 HA SER A 150 6.073 -1.726 -6.529 1.00 0.72 H new ATOM 0 HB2 SER A 150 5.545 -3.536 -8.398 1.00 0.80 H new ATOM 0 HB3 SER A 150 4.264 -2.424 -8.837 1.00 0.80 H new ATOM 0 HG SER A 150 6.267 -1.928 -9.924 1.00 1.08 H new ATOM 2518 N ILE A 151 4.304 0.000 -5.897 1.00 0.65 N ATOM 2519 CA ILE A 151 3.317 1.099 -5.707 1.00 0.68 C ATOM 2520 C ILE A 151 3.583 2.264 -6.663 1.00 0.76 C ATOM 2521 O ILE A 151 4.689 2.483 -7.116 1.00 0.88 O ATOM 2522 CB ILE A 151 3.401 1.589 -4.261 1.00 0.69 C ATOM 2523 CG1 ILE A 151 4.647 2.489 -4.105 1.00 0.85 C ATOM 2524 CG2 ILE A 151 3.479 0.372 -3.326 1.00 0.70 C ATOM 2525 CD1 ILE A 151 5.451 2.107 -2.858 1.00 0.99 C ATOM 0 H ILE A 151 5.146 0.069 -5.325 1.00 0.65 H new ATOM 0 HA ILE A 151 2.320 0.715 -5.923 1.00 0.68 H new ATOM 0 HB ILE A 151 2.518 2.172 -4.001 1.00 0.69 H new ATOM 0 HG12 ILE A 151 5.277 2.399 -4.990 1.00 0.85 H new ATOM 0 HG13 ILE A 151 4.339 3.533 -4.038 1.00 0.85 H new ATOM 0 HG21 ILE A 151 3.539 0.711 -2.292 1.00 0.70 H new ATOM 0 HG22 ILE A 151 2.589 -0.243 -3.455 1.00 0.70 H new ATOM 0 HG23 ILE A 151 4.365 -0.216 -3.567 1.00 0.70 H new ATOM 0 HD11 ILE A 151 6.322 2.757 -2.774 1.00 0.99 H new ATOM 0 HD12 ILE A 151 4.826 2.222 -1.973 1.00 0.99 H new ATOM 0 HD13 ILE A 151 5.778 1.070 -2.939 1.00 0.99 H new ATOM 2537 N GLN A 152 2.555 3.012 -6.958 1.00 0.80 N ATOM 2538 CA GLN A 152 2.695 4.178 -7.871 1.00 0.97 C ATOM 2539 C GLN A 152 1.653 5.230 -7.479 1.00 0.91 C ATOM 2540 O GLN A 152 0.476 5.078 -7.742 1.00 0.97 O ATOM 2541 CB GLN A 152 2.458 3.731 -9.316 1.00 1.22 C ATOM 2542 CG GLN A 152 3.801 3.599 -10.037 1.00 1.63 C ATOM 2543 CD GLN A 152 3.617 2.785 -11.320 1.00 1.88 C ATOM 2544 OE1 GLN A 152 4.138 1.694 -11.441 1.00 2.39 O ATOM 2545 NE2 GLN A 152 2.891 3.272 -12.289 1.00 2.29 N ATOM 0 H GLN A 152 1.612 2.861 -6.599 1.00 0.80 H new ATOM 0 HA GLN A 152 3.698 4.598 -7.791 1.00 0.97 H new ATOM 0 HB2 GLN A 152 1.930 2.777 -9.331 1.00 1.22 H new ATOM 0 HB3 GLN A 152 1.826 4.453 -9.832 1.00 1.22 H new ATOM 0 HG2 GLN A 152 4.196 4.587 -10.274 1.00 1.63 H new ATOM 0 HG3 GLN A 152 4.528 3.113 -9.387 1.00 1.63 H new ATOM 0 HE21 GLN A 152 2.453 4.188 -12.188 1.00 2.29 H new ATOM 0 HE22 GLN A 152 2.761 2.737 -13.148 1.00 2.29 H new ATOM 2554 N GLN A 153 2.072 6.292 -6.846 1.00 0.97 N ATOM 2555 CA GLN A 153 1.100 7.345 -6.437 1.00 0.91 C ATOM 2556 C GLN A 153 0.241 7.736 -7.640 1.00 0.90 C ATOM 2557 O GLN A 153 0.749 8.079 -8.689 1.00 0.99 O ATOM 2558 CB GLN A 153 1.860 8.573 -5.932 1.00 1.00 C ATOM 2559 CG GLN A 153 1.013 9.307 -4.892 1.00 1.38 C ATOM 2560 CD GLN A 153 0.962 10.797 -5.235 1.00 1.92 C ATOM 2561 OE1 GLN A 153 -0.072 11.311 -5.612 1.00 2.49 O ATOM 2562 NE2 GLN A 153 2.044 11.517 -5.122 1.00 2.33 N ATOM 0 H GLN A 153 3.043 6.476 -6.595 1.00 0.97 H new ATOM 0 HA GLN A 153 0.461 6.962 -5.641 1.00 0.91 H new ATOM 0 HB2 GLN A 153 2.811 8.270 -5.494 1.00 1.00 H new ATOM 0 HB3 GLN A 153 2.090 9.239 -6.764 1.00 1.00 H new ATOM 0 HG2 GLN A 153 0.005 8.893 -4.871 1.00 1.38 H new ATOM 0 HG3 GLN A 153 1.436 9.166 -3.898 1.00 1.38 H new ATOM 0 HE21 GLN A 153 2.913 11.086 -4.805 1.00 2.33 H new ATOM 0 HE22 GLN A 153 2.021 12.511 -5.350 1.00 2.33 H new ATOM 2571 N LEU A 154 -1.057 7.687 -7.503 1.00 0.88 N ATOM 2572 CA LEU A 154 -1.935 8.057 -8.651 1.00 0.93 C ATOM 2573 C LEU A 154 -2.853 9.214 -8.250 1.00 0.85 C ATOM 2574 O LEU A 154 -2.745 10.311 -8.761 1.00 1.14 O ATOM 2575 CB LEU A 154 -2.783 6.848 -9.053 1.00 1.04 C ATOM 2576 CG LEU A 154 -2.321 6.330 -10.416 1.00 1.22 C ATOM 2577 CD1 LEU A 154 -2.183 4.808 -10.365 1.00 1.49 C ATOM 2578 CD2 LEU A 154 -3.352 6.709 -11.482 1.00 1.90 C ATOM 0 H LEU A 154 -1.545 7.409 -6.652 1.00 0.88 H new ATOM 0 HA LEU A 154 -1.316 8.366 -9.493 1.00 0.93 H new ATOM 0 HB2 LEU A 154 -2.692 6.062 -8.304 1.00 1.04 H new ATOM 0 HB3 LEU A 154 -3.836 7.127 -9.096 1.00 1.04 H new ATOM 0 HG LEU A 154 -1.358 6.775 -10.664 1.00 1.22 H new ATOM 0 HD11 LEU A 154 -1.854 4.440 -11.337 1.00 1.49 H new ATOM 0 HD12 LEU A 154 -1.450 4.534 -9.606 1.00 1.49 H new ATOM 0 HD13 LEU A 154 -3.147 4.363 -10.116 1.00 1.49 H new ATOM 0 HD21 LEU A 154 -3.023 6.340 -12.454 1.00 1.90 H new ATOM 0 HD22 LEU A 154 -4.315 6.264 -11.232 1.00 1.90 H new ATOM 0 HD23 LEU A 154 -3.453 7.794 -11.521 1.00 1.90 H new ATOM 2590 N LEU A 155 -3.759 8.975 -7.343 1.00 0.75 N ATOM 2591 CA LEU A 155 -4.689 10.057 -6.910 1.00 0.66 C ATOM 2592 C LEU A 155 -4.070 10.817 -5.733 1.00 0.68 C ATOM 2593 O LEU A 155 -3.334 10.263 -4.940 1.00 1.15 O ATOM 2594 CB LEU A 155 -6.024 9.427 -6.490 1.00 0.69 C ATOM 2595 CG LEU A 155 -6.872 10.433 -5.707 1.00 0.66 C ATOM 2596 CD1 LEU A 155 -7.606 11.354 -6.686 1.00 0.79 C ATOM 2597 CD2 LEU A 155 -7.898 9.673 -4.862 1.00 0.78 C ATOM 0 H LEU A 155 -3.896 8.076 -6.882 1.00 0.75 H new ATOM 0 HA LEU A 155 -4.861 10.755 -7.730 1.00 0.66 H new ATOM 0 HB2 LEU A 155 -6.569 9.094 -7.373 1.00 0.69 H new ATOM 0 HB3 LEU A 155 -5.839 8.544 -5.878 1.00 0.69 H new ATOM 0 HG LEU A 155 -6.229 11.029 -5.060 1.00 0.66 H new ATOM 0 HD11 LEU A 155 -8.210 12.070 -6.129 1.00 0.79 H new ATOM 0 HD12 LEU A 155 -6.879 11.890 -7.296 1.00 0.79 H new ATOM 0 HD13 LEU A 155 -8.252 10.759 -7.331 1.00 0.79 H new ATOM 0 HD21 LEU A 155 -8.506 10.383 -4.301 1.00 0.78 H new ATOM 0 HD22 LEU A 155 -8.540 9.082 -5.515 1.00 0.78 H new ATOM 0 HD23 LEU A 155 -7.379 9.012 -4.168 1.00 0.78 H new ATOM 2609 N LYS A 156 -4.364 12.085 -5.615 1.00 0.77 N ATOM 2610 CA LYS A 156 -3.795 12.884 -4.492 1.00 0.79 C ATOM 2611 C LYS A 156 -4.802 13.956 -4.066 1.00 0.79 C ATOM 2612 O LYS A 156 -5.018 14.928 -4.763 1.00 1.00 O ATOM 2613 CB LYS A 156 -2.501 13.560 -4.952 1.00 1.01 C ATOM 2614 CG LYS A 156 -1.359 13.183 -4.005 1.00 1.64 C ATOM 2615 CD LYS A 156 -0.034 13.701 -4.570 1.00 2.00 C ATOM 2616 CE LYS A 156 0.032 15.221 -4.412 1.00 2.69 C ATOM 2617 NZ LYS A 156 1.444 15.677 -4.568 1.00 3.31 N ATOM 0 H LYS A 156 -4.974 12.602 -6.249 1.00 0.77 H new ATOM 0 HA LYS A 156 -3.584 12.226 -3.649 1.00 0.79 H new ATOM 0 HB2 LYS A 156 -2.260 13.252 -5.969 1.00 1.01 H new ATOM 0 HB3 LYS A 156 -2.630 14.642 -4.969 1.00 1.01 H new ATOM 0 HG2 LYS A 156 -1.536 13.608 -3.017 1.00 1.64 H new ATOM 0 HG3 LYS A 156 -1.316 12.101 -3.883 1.00 1.64 H new ATOM 0 HD2 LYS A 156 0.802 13.234 -4.049 1.00 2.00 H new ATOM 0 HD3 LYS A 156 0.055 13.430 -5.622 1.00 2.00 H new ATOM 0 HE2 LYS A 156 -0.601 15.703 -5.157 1.00 2.69 H new ATOM 0 HE3 LYS A 156 -0.349 15.512 -3.433 1.00 2.69 H new ATOM 0 HZ1 LYS A 156 1.489 16.710 -4.461 1.00 3.31 H new ATOM 0 HZ2 LYS A 156 2.036 15.227 -3.841 1.00 3.31 H new ATOM 0 HZ3 LYS A 156 1.792 15.412 -5.511 1.00 3.31 H new ATOM 2631 N LEU A 157 -5.421 13.791 -2.927 1.00 0.85 N ATOM 2632 CA LEU A 157 -6.410 14.808 -2.469 1.00 0.97 C ATOM 2633 C LEU A 157 -5.846 15.583 -1.278 1.00 1.01 C ATOM 2634 O LEU A 157 -5.472 14.992 -0.284 1.00 1.06 O ATOM 2635 CB LEU A 157 -7.701 14.125 -2.010 1.00 1.07 C ATOM 2636 CG LEU A 157 -8.465 13.578 -3.214 1.00 1.17 C ATOM 2637 CD1 LEU A 157 -8.656 14.685 -4.252 1.00 1.93 C ATOM 2638 CD2 LEU A 157 -7.684 12.427 -3.840 1.00 1.51 C ATOM 0 H LEU A 157 -5.285 13.000 -2.297 1.00 0.85 H new ATOM 0 HA LEU A 157 -6.614 15.480 -3.303 1.00 0.97 H new ATOM 0 HB2 LEU A 157 -7.467 13.314 -1.320 1.00 1.07 H new ATOM 0 HB3 LEU A 157 -8.324 14.836 -1.467 1.00 1.07 H new ATOM 0 HG LEU A 157 -9.440 13.219 -2.884 1.00 1.17 H new ATOM 0 HD11 LEU A 157 -9.201 14.290 -5.109 1.00 1.93 H new ATOM 0 HD12 LEU A 157 -9.221 15.505 -3.809 1.00 1.93 H new ATOM 0 HD13 LEU A 157 -7.682 15.050 -4.579 1.00 1.93 H new ATOM 0 HD21 LEU A 157 -8.233 12.040 -4.699 1.00 1.51 H new ATOM 0 HD22 LEU A 157 -6.707 12.785 -4.165 1.00 1.51 H new ATOM 0 HD23 LEU A 157 -7.554 11.633 -3.104 1.00 1.51 H new ATOM 2650 N PRO A 158 -5.820 16.885 -1.398 1.00 1.23 N ATOM 2651 CA PRO A 158 -5.331 17.758 -0.334 1.00 1.42 C ATOM 2652 C PRO A 158 -6.419 17.877 0.739 1.00 1.27 C ATOM 2653 O PRO A 158 -6.270 18.589 1.712 1.00 1.38 O ATOM 2654 CB PRO A 158 -5.079 19.109 -0.988 1.00 1.83 C ATOM 2655 CG PRO A 158 -6.056 19.098 -2.190 1.00 1.90 C ATOM 2656 CD PRO A 158 -6.267 17.618 -2.602 1.00 1.50 C ATOM 0 HA PRO A 158 -4.425 17.379 0.138 1.00 1.42 H new ATOM 0 HB2 PRO A 158 -5.287 19.933 -0.306 1.00 1.83 H new ATOM 0 HB3 PRO A 158 -4.043 19.215 -1.310 1.00 1.83 H new ATOM 0 HG2 PRO A 158 -7.005 19.560 -1.918 1.00 1.90 H new ATOM 0 HG3 PRO A 158 -5.649 19.674 -3.021 1.00 1.90 H new ATOM 0 HD2 PRO A 158 -7.309 17.408 -2.842 1.00 1.50 H new ATOM 0 HD3 PRO A 158 -5.678 17.353 -3.480 1.00 1.50 H new ATOM 2664 N ALA A 159 -7.519 17.181 0.555 1.00 1.13 N ATOM 2665 CA ALA A 159 -8.631 17.238 1.541 1.00 1.14 C ATOM 2666 C ALA A 159 -9.466 18.491 1.282 1.00 1.47 C ATOM 2667 O ALA A 159 -9.852 19.191 2.192 1.00 1.80 O ATOM 2668 CB ALA A 159 -8.063 17.274 2.959 1.00 1.17 C ATOM 0 H ALA A 159 -7.688 16.573 -0.246 1.00 1.13 H new ATOM 0 HA ALA A 159 -9.260 16.354 1.436 1.00 1.14 H new ATOM 0 HB1 ALA A 159 -8.881 17.316 3.678 1.00 1.17 H new ATOM 0 HB2 ALA A 159 -7.470 16.377 3.136 1.00 1.17 H new ATOM 0 HB3 ALA A 159 -7.432 18.155 3.076 1.00 1.17 H new ATOM 2674 N GLU A 160 -9.745 18.778 0.040 1.00 1.84 N ATOM 2675 CA GLU A 160 -10.555 19.987 -0.286 1.00 2.44 C ATOM 2676 C GLU A 160 -11.950 19.853 0.326 1.00 2.16 C ATOM 2677 O GLU A 160 -12.481 20.786 0.895 1.00 2.81 O ATOM 2678 CB GLU A 160 -10.680 20.118 -1.805 1.00 3.12 C ATOM 2679 CG GLU A 160 -9.348 20.593 -2.387 1.00 3.35 C ATOM 2680 CD GLU A 160 -9.599 21.349 -3.693 1.00 4.45 C ATOM 2681 OE1 GLU A 160 -10.593 22.052 -3.766 1.00 4.88 O ATOM 2682 OE2 GLU A 160 -8.791 21.213 -4.598 1.00 5.10 O ATOM 0 H GLU A 160 -9.447 18.227 -0.765 1.00 1.84 H new ATOM 0 HA GLU A 160 -10.065 20.871 0.121 1.00 2.44 H new ATOM 0 HB2 GLU A 160 -10.959 19.159 -2.242 1.00 3.12 H new ATOM 0 HB3 GLU A 160 -11.471 20.824 -2.056 1.00 3.12 H new ATOM 0 HG2 GLU A 160 -8.838 21.240 -1.673 1.00 3.35 H new ATOM 0 HG3 GLU A 160 -8.694 19.740 -2.569 1.00 3.35 H new ATOM 2689 N CYS A 161 -12.549 18.700 0.211 1.00 1.63 N ATOM 2690 CA CYS A 161 -13.911 18.505 0.781 1.00 1.80 C ATOM 2691 C CYS A 161 -13.839 18.410 2.311 1.00 1.82 C ATOM 2692 O CYS A 161 -14.837 18.226 2.976 1.00 2.27 O ATOM 2693 CB CYS A 161 -14.503 17.216 0.213 1.00 1.99 C ATOM 2694 SG CYS A 161 -15.119 17.523 -1.461 1.00 2.86 S ATOM 0 H CYS A 161 -12.153 17.883 -0.254 1.00 1.63 H new ATOM 0 HA CYS A 161 -14.540 19.354 0.515 1.00 1.80 H new ATOM 0 HB2 CYS A 161 -13.746 16.432 0.196 1.00 1.99 H new ATOM 0 HB3 CYS A 161 -15.313 16.863 0.851 1.00 1.99 H new ATOM 0 HG CYS A 161 -14.125 17.505 -2.299 1.00 2.86 H new ATOM 2700 N PHE A 162 -12.671 18.537 2.879 1.00 1.67 N ATOM 2701 CA PHE A 162 -12.553 18.454 4.365 1.00 1.96 C ATOM 2702 C PHE A 162 -12.770 19.847 4.962 1.00 2.30 C ATOM 2703 O PHE A 162 -11.844 20.489 5.416 1.00 2.59 O ATOM 2704 CB PHE A 162 -11.144 17.978 4.739 1.00 1.95 C ATOM 2705 CG PHE A 162 -11.147 16.500 5.049 1.00 1.79 C ATOM 2706 CD1 PHE A 162 -10.987 15.568 4.016 1.00 2.21 C ATOM 2707 CD2 PHE A 162 -11.291 16.062 6.372 1.00 2.04 C ATOM 2708 CE1 PHE A 162 -10.972 14.197 4.305 1.00 2.25 C ATOM 2709 CE2 PHE A 162 -11.278 14.690 6.661 1.00 2.03 C ATOM 2710 CZ PHE A 162 -11.117 13.758 5.627 1.00 1.83 C ATOM 0 H PHE A 162 -11.795 18.694 2.381 1.00 1.67 H new ATOM 0 HA PHE A 162 -13.297 17.756 4.750 1.00 1.96 H new ATOM 0 HB2 PHE A 162 -10.456 18.182 3.919 1.00 1.95 H new ATOM 0 HB3 PHE A 162 -10.783 18.536 5.603 1.00 1.95 H new ATOM 0 HD1 PHE A 162 -10.875 15.906 2.996 1.00 2.21 H new ATOM 0 HD2 PHE A 162 -11.412 16.781 7.169 1.00 2.04 H new ATOM 0 HE1 PHE A 162 -10.849 13.479 3.508 1.00 2.25 H new ATOM 0 HE2 PHE A 162 -11.392 14.352 7.680 1.00 2.03 H new ATOM 0 HZ PHE A 162 -11.105 12.701 5.850 1.00 1.83 H new ATOM 2720 N HIS A 163 -13.985 20.321 4.961 1.00 2.56 N ATOM 2721 CA HIS A 163 -14.259 21.673 5.525 1.00 3.08 C ATOM 2722 C HIS A 163 -14.227 21.612 7.056 1.00 3.11 C ATOM 2723 O HIS A 163 -14.397 20.558 7.637 1.00 3.18 O ATOM 2724 CB HIS A 163 -15.641 22.143 5.062 1.00 3.80 C ATOM 2725 CG HIS A 163 -15.610 22.407 3.582 1.00 3.98 C ATOM 2726 ND1 HIS A 163 -16.668 22.074 2.750 1.00 4.39 N ATOM 2727 CD2 HIS A 163 -14.658 22.972 2.769 1.00 4.35 C ATOM 2728 CE1 HIS A 163 -16.330 22.438 1.499 1.00 4.84 C ATOM 2729 NE2 HIS A 163 -15.115 22.990 1.455 1.00 4.88 N ATOM 0 H HIS A 163 -14.801 19.831 4.594 1.00 2.56 H new ATOM 0 HA HIS A 163 -13.498 22.371 5.178 1.00 3.08 H new ATOM 0 HB2 HIS A 163 -16.390 21.386 5.292 1.00 3.80 H new ATOM 0 HB3 HIS A 163 -15.928 23.048 5.598 1.00 3.80 H new ATOM 0 HD2 HIS A 163 -13.700 23.346 3.100 1.00 4.35 H new ATOM 0 HE1 HIS A 163 -16.964 22.300 0.636 1.00 4.84 H new ATOM 0 HE2 HIS A 163 -14.627 23.348 0.634 1.00 4.88 H new ATOM 2737 N PRO A 164 -14.010 22.753 7.661 1.00 3.32 N ATOM 2738 CA PRO A 164 -13.804 24.020 6.953 1.00 3.54 C ATOM 2739 C PRO A 164 -12.368 24.100 6.433 1.00 3.12 C ATOM 2740 O PRO A 164 -12.131 24.280 5.256 1.00 3.49 O ATOM 2741 CB PRO A 164 -14.051 25.110 7.987 1.00 4.04 C ATOM 2742 CG PRO A 164 -13.712 24.407 9.326 1.00 3.99 C ATOM 2743 CD PRO A 164 -13.951 22.887 9.132 1.00 3.64 C ATOM 0 HA PRO A 164 -14.468 24.120 6.095 1.00 3.54 H new ATOM 0 HB2 PRO A 164 -13.416 25.979 7.816 1.00 4.04 H new ATOM 0 HB3 PRO A 164 -15.083 25.460 7.965 1.00 4.04 H new ATOM 0 HG2 PRO A 164 -12.677 24.599 9.608 1.00 3.99 H new ATOM 0 HG3 PRO A 164 -14.338 24.793 10.130 1.00 3.99 H new ATOM 0 HD2 PRO A 164 -13.144 22.292 9.561 1.00 3.64 H new ATOM 0 HD3 PRO A 164 -14.876 22.559 9.606 1.00 3.64 H new ATOM 2751 N LYS A 165 -11.408 23.967 7.307 1.00 2.82 N ATOM 2752 CA LYS A 165 -9.986 24.033 6.872 1.00 2.68 C ATOM 2753 C LYS A 165 -9.304 22.691 7.163 1.00 2.27 C ATOM 2754 O LYS A 165 -8.930 22.422 8.287 1.00 2.81 O ATOM 2755 CB LYS A 165 -9.272 25.144 7.644 1.00 3.52 C ATOM 2756 CG LYS A 165 -9.481 26.480 6.928 1.00 4.08 C ATOM 2757 CD LYS A 165 -8.537 27.528 7.519 1.00 4.60 C ATOM 2758 CE LYS A 165 -7.255 27.588 6.688 1.00 5.06 C ATOM 2759 NZ LYS A 165 -7.301 28.777 5.791 1.00 5.26 N ATOM 0 H LYS A 165 -11.549 23.815 8.306 1.00 2.82 H new ATOM 0 HA LYS A 165 -9.939 24.242 5.803 1.00 2.68 H new ATOM 0 HB2 LYS A 165 -9.659 25.200 8.662 1.00 3.52 H new ATOM 0 HB3 LYS A 165 -8.207 24.923 7.719 1.00 3.52 H new ATOM 0 HG2 LYS A 165 -9.293 26.366 5.860 1.00 4.08 H new ATOM 0 HG3 LYS A 165 -10.516 26.805 7.036 1.00 4.08 H new ATOM 0 HD2 LYS A 165 -9.022 28.504 7.530 1.00 4.60 H new ATOM 0 HD3 LYS A 165 -8.301 27.278 8.553 1.00 4.60 H new ATOM 0 HE2 LYS A 165 -6.386 27.647 7.344 1.00 5.06 H new ATOM 0 HE3 LYS A 165 -7.148 26.678 6.098 1.00 5.06 H new ATOM 0 HZ1 LYS A 165 -6.429 28.819 5.225 1.00 5.26 H new ATOM 0 HZ2 LYS A 165 -8.122 28.702 5.157 1.00 5.26 H new ATOM 0 HZ3 LYS A 165 -7.384 29.641 6.364 1.00 5.26 H new ATOM 2773 N PRO A 166 -9.166 21.888 6.138 1.00 1.90 N ATOM 2774 CA PRO A 166 -8.538 20.564 6.236 1.00 2.35 C ATOM 2775 C PRO A 166 -7.202 20.658 6.978 1.00 2.33 C ATOM 2776 O PRO A 166 -6.858 21.681 7.536 1.00 3.06 O ATOM 2777 CB PRO A 166 -8.308 20.109 4.801 1.00 2.90 C ATOM 2778 CG PRO A 166 -9.380 20.897 4.012 1.00 2.60 C ATOM 2779 CD PRO A 166 -9.626 22.220 4.772 1.00 1.93 C ATOM 0 HA PRO A 166 -9.166 19.865 6.788 1.00 2.35 H new ATOM 0 HB2 PRO A 166 -7.300 20.345 4.459 1.00 2.90 H new ATOM 0 HB3 PRO A 166 -8.437 19.032 4.693 1.00 2.90 H new ATOM 0 HG2 PRO A 166 -9.041 21.095 2.995 1.00 2.60 H new ATOM 0 HG3 PRO A 166 -10.302 20.321 3.935 1.00 2.60 H new ATOM 0 HD2 PRO A 166 -9.061 23.047 4.342 1.00 1.93 H new ATOM 0 HD3 PRO A 166 -10.677 22.509 4.756 1.00 1.93 H new ATOM 2787 N LYS A 167 -6.447 19.594 6.987 1.00 1.96 N ATOM 2788 CA LYS A 167 -5.134 19.613 7.691 1.00 2.25 C ATOM 2789 C LYS A 167 -4.214 18.548 7.092 1.00 1.86 C ATOM 2790 O LYS A 167 -3.043 18.781 6.867 1.00 2.26 O ATOM 2791 CB LYS A 167 -5.347 19.316 9.172 1.00 2.80 C ATOM 2792 CG LYS A 167 -4.004 19.402 9.892 1.00 3.46 C ATOM 2793 CD LYS A 167 -3.465 17.992 10.134 1.00 3.43 C ATOM 2794 CE LYS A 167 -2.330 18.051 11.157 1.00 4.08 C ATOM 2795 NZ LYS A 167 -1.908 16.666 11.511 1.00 4.46 N ATOM 0 H LYS A 167 -6.684 18.710 6.536 1.00 1.96 H new ATOM 0 HA LYS A 167 -4.678 20.596 7.575 1.00 2.25 H new ATOM 0 HB2 LYS A 167 -6.051 20.028 9.602 1.00 2.80 H new ATOM 0 HB3 LYS A 167 -5.780 18.324 9.299 1.00 2.80 H new ATOM 0 HG2 LYS A 167 -3.295 19.976 9.295 1.00 3.46 H new ATOM 0 HG3 LYS A 167 -4.121 19.926 10.841 1.00 3.46 H new ATOM 0 HD2 LYS A 167 -4.262 17.343 10.496 1.00 3.43 H new ATOM 0 HD3 LYS A 167 -3.105 17.563 9.199 1.00 3.43 H new ATOM 0 HE2 LYS A 167 -1.486 18.607 10.748 1.00 4.08 H new ATOM 0 HE3 LYS A 167 -2.658 18.582 12.050 1.00 4.08 H new ATOM 0 HZ1 LYS A 167 -1.136 16.705 12.207 1.00 4.46 H new ATOM 0 HZ2 LYS A 167 -2.715 16.151 11.918 1.00 4.46 H new ATOM 0 HZ3 LYS A 167 -1.578 16.174 10.656 1.00 4.46 H new ATOM 2809 N VAL A 168 -4.733 17.379 6.834 1.00 1.34 N ATOM 2810 CA VAL A 168 -3.884 16.301 6.253 1.00 1.12 C ATOM 2811 C VAL A 168 -4.267 16.075 4.789 1.00 1.18 C ATOM 2812 O VAL A 168 -5.308 16.506 4.334 1.00 1.49 O ATOM 2813 CB VAL A 168 -4.097 15.006 7.039 1.00 1.20 C ATOM 2814 CG1 VAL A 168 -3.858 15.266 8.528 1.00 1.58 C ATOM 2815 CG2 VAL A 168 -5.532 14.516 6.833 1.00 1.57 C ATOM 0 H VAL A 168 -5.707 17.124 7.000 1.00 1.34 H new ATOM 0 HA VAL A 168 -2.836 16.597 6.311 1.00 1.12 H new ATOM 0 HB VAL A 168 -3.398 14.248 6.686 1.00 1.20 H new ATOM 0 HG11 VAL A 168 -4.010 14.343 9.087 1.00 1.58 H new ATOM 0 HG12 VAL A 168 -2.837 15.617 8.677 1.00 1.58 H new ATOM 0 HG13 VAL A 168 -4.557 16.024 8.882 1.00 1.58 H new ATOM 0 HG21 VAL A 168 -5.685 13.593 7.393 1.00 1.57 H new ATOM 0 HG22 VAL A 168 -6.230 15.275 7.187 1.00 1.57 H new ATOM 0 HG23 VAL A 168 -5.704 14.330 5.773 1.00 1.57 H new ATOM 2825 N ASN A 169 -3.432 15.397 4.051 1.00 1.16 N ATOM 2826 CA ASN A 169 -3.741 15.137 2.616 1.00 1.38 C ATOM 2827 C ASN A 169 -3.915 13.632 2.400 1.00 1.16 C ATOM 2828 O ASN A 169 -3.003 12.856 2.607 1.00 1.40 O ATOM 2829 CB ASN A 169 -2.591 15.647 1.744 1.00 1.86 C ATOM 2830 CG ASN A 169 -1.257 15.347 2.430 1.00 2.44 C ATOM 2831 OD1 ASN A 169 -0.582 16.323 2.974 1.00 2.97 O flip ATOM 2832 ND2 ASN A 169 -0.824 14.212 2.471 1.00 2.95 N flip ATOM 0 H ASN A 169 -2.547 15.011 4.380 1.00 1.16 H new ATOM 0 HA ASN A 169 -4.660 15.655 2.342 1.00 1.38 H new ATOM 0 HB2 ASN A 169 -2.624 15.169 0.765 1.00 1.86 H new ATOM 0 HB3 ASN A 169 -2.694 16.720 1.579 1.00 1.86 H new ATOM 0 HD21 ASN A 169 -1.351 13.449 2.046 1.00 2.95 H new ATOM 0 HD22 ASN A 169 0.067 14.022 2.930 1.00 2.95 H new ATOM 2839 N SER A 170 -5.080 13.212 1.987 1.00 0.89 N ATOM 2840 CA SER A 170 -5.312 11.756 1.760 1.00 0.74 C ATOM 2841 C SER A 170 -5.056 11.420 0.289 1.00 0.67 C ATOM 2842 O SER A 170 -5.665 11.981 -0.599 1.00 0.71 O ATOM 2843 CB SER A 170 -6.760 11.413 2.114 1.00 0.92 C ATOM 2844 OG SER A 170 -6.915 10.000 2.141 1.00 1.68 O ATOM 0 H SER A 170 -5.881 13.814 1.797 1.00 0.89 H new ATOM 0 HA SER A 170 -4.634 11.178 2.388 1.00 0.74 H new ATOM 0 HB2 SER A 170 -7.020 11.837 3.084 1.00 0.92 H new ATOM 0 HB3 SER A 170 -7.439 11.851 1.382 1.00 0.92 H new ATOM 0 HG SER A 170 -6.039 9.577 2.257 1.00 1.68 H new ATOM 2850 N VAL A 171 -4.160 10.507 0.024 1.00 0.64 N ATOM 2851 CA VAL A 171 -3.869 10.139 -1.393 1.00 0.65 C ATOM 2852 C VAL A 171 -4.090 8.631 -1.583 1.00 0.61 C ATOM 2853 O VAL A 171 -4.238 7.885 -0.631 1.00 0.69 O ATOM 2854 CB VAL A 171 -2.411 10.537 -1.758 1.00 0.74 C ATOM 2855 CG1 VAL A 171 -1.775 11.330 -0.612 1.00 1.04 C ATOM 2856 CG2 VAL A 171 -1.548 9.294 -2.036 1.00 0.72 C ATOM 0 H VAL A 171 -3.618 10.001 0.725 1.00 0.64 H new ATOM 0 HA VAL A 171 -4.543 10.679 -2.058 1.00 0.65 H new ATOM 0 HB VAL A 171 -2.454 11.150 -2.658 1.00 0.74 H new ATOM 0 HG11 VAL A 171 -0.754 11.602 -0.881 1.00 1.04 H new ATOM 0 HG12 VAL A 171 -2.356 12.234 -0.429 1.00 1.04 H new ATOM 0 HG13 VAL A 171 -1.762 10.718 0.290 1.00 1.04 H new ATOM 0 HG21 VAL A 171 -0.534 9.604 -2.288 1.00 0.72 H new ATOM 0 HG22 VAL A 171 -1.524 8.662 -1.148 1.00 0.72 H new ATOM 0 HG23 VAL A 171 -1.974 8.734 -2.869 1.00 0.72 H new ATOM 2866 N LEU A 172 -4.106 8.183 -2.811 1.00 0.62 N ATOM 2867 CA LEU A 172 -4.308 6.732 -3.079 1.00 0.61 C ATOM 2868 C LEU A 172 -3.018 6.143 -3.651 1.00 0.62 C ATOM 2869 O LEU A 172 -2.548 6.544 -4.701 1.00 0.74 O ATOM 2870 CB LEU A 172 -5.440 6.544 -4.089 1.00 0.65 C ATOM 2871 CG LEU A 172 -5.572 5.060 -4.439 1.00 0.82 C ATOM 2872 CD1 LEU A 172 -6.630 4.415 -3.543 1.00 1.30 C ATOM 2873 CD2 LEU A 172 -5.989 4.917 -5.905 1.00 1.71 C ATOM 0 H LEU A 172 -3.987 8.763 -3.641 1.00 0.62 H new ATOM 0 HA LEU A 172 -4.568 6.225 -2.150 1.00 0.61 H new ATOM 0 HB2 LEU A 172 -6.377 6.915 -3.674 1.00 0.65 H new ATOM 0 HB3 LEU A 172 -5.238 7.124 -4.989 1.00 0.65 H new ATOM 0 HG LEU A 172 -4.614 4.564 -4.283 1.00 0.82 H new ATOM 0 HD11 LEU A 172 -6.723 3.358 -3.793 1.00 1.30 H new ATOM 0 HD12 LEU A 172 -6.333 4.516 -2.499 1.00 1.30 H new ATOM 0 HD13 LEU A 172 -7.589 4.910 -3.697 1.00 1.30 H new ATOM 0 HD21 LEU A 172 -6.083 3.860 -6.155 1.00 1.71 H new ATOM 0 HD22 LEU A 172 -6.947 5.414 -6.061 1.00 1.71 H new ATOM 0 HD23 LEU A 172 -5.234 5.375 -6.544 1.00 1.71 H new ATOM 2885 N ILE A 173 -2.444 5.193 -2.970 1.00 0.60 N ATOM 2886 CA ILE A 173 -1.187 4.574 -3.468 1.00 0.66 C ATOM 2887 C ILE A 173 -1.527 3.300 -4.247 1.00 0.80 C ATOM 2888 O ILE A 173 -2.099 2.369 -3.713 1.00 0.95 O ATOM 2889 CB ILE A 173 -0.290 4.234 -2.279 1.00 0.73 C ATOM 2890 CG1 ILE A 173 -0.119 5.475 -1.402 1.00 1.26 C ATOM 2891 CG2 ILE A 173 1.078 3.782 -2.784 1.00 0.81 C ATOM 2892 CD1 ILE A 173 -1.269 5.555 -0.398 1.00 1.68 C ATOM 0 H ILE A 173 -2.792 4.818 -2.088 1.00 0.60 H new ATOM 0 HA ILE A 173 -0.664 5.268 -4.126 1.00 0.66 H new ATOM 0 HB ILE A 173 -0.747 3.433 -1.698 1.00 0.73 H new ATOM 0 HG12 ILE A 173 0.835 5.432 -0.876 1.00 1.26 H new ATOM 0 HG13 ILE A 173 -0.101 6.371 -2.022 1.00 1.26 H new ATOM 0 HG21 ILE A 173 1.717 3.540 -1.935 1.00 0.81 H new ATOM 0 HG22 ILE A 173 0.960 2.900 -3.413 1.00 0.81 H new ATOM 0 HG23 ILE A 173 1.534 4.584 -3.365 1.00 0.81 H new ATOM 0 HD11 ILE A 173 -1.146 6.440 0.226 1.00 1.68 H new ATOM 0 HD12 ILE A 173 -2.216 5.618 -0.934 1.00 1.68 H new ATOM 0 HD13 ILE A 173 -1.266 4.664 0.230 1.00 1.68 H new ATOM 2904 N LYS A 174 -1.185 3.256 -5.508 1.00 0.96 N ATOM 2905 CA LYS A 174 -1.493 2.046 -6.326 1.00 1.28 C ATOM 2906 C LYS A 174 -0.449 0.957 -6.069 1.00 1.08 C ATOM 2907 O LYS A 174 0.464 0.766 -6.846 1.00 1.16 O ATOM 2908 CB LYS A 174 -1.477 2.419 -7.810 1.00 1.73 C ATOM 2909 CG LYS A 174 -1.720 1.165 -8.653 1.00 2.27 C ATOM 2910 CD LYS A 174 -1.193 1.393 -10.071 1.00 2.81 C ATOM 2911 CE LYS A 174 -1.100 0.052 -10.802 1.00 3.03 C ATOM 2912 NZ LYS A 174 -1.718 0.177 -12.152 1.00 3.74 N ATOM 0 H LYS A 174 -0.706 4.006 -6.007 1.00 0.96 H new ATOM 0 HA LYS A 174 -2.478 1.671 -6.048 1.00 1.28 H new ATOM 0 HB2 LYS A 174 -2.245 3.164 -8.017 1.00 1.73 H new ATOM 0 HB3 LYS A 174 -0.519 2.867 -8.073 1.00 1.73 H new ATOM 0 HG2 LYS A 174 -1.220 0.308 -8.201 1.00 2.27 H new ATOM 0 HG3 LYS A 174 -2.785 0.934 -8.682 1.00 2.27 H new ATOM 0 HD2 LYS A 174 -1.855 2.069 -10.612 1.00 2.81 H new ATOM 0 HD3 LYS A 174 -0.213 1.868 -10.034 1.00 2.81 H new ATOM 0 HE2 LYS A 174 -0.057 -0.252 -10.895 1.00 3.03 H new ATOM 0 HE3 LYS A 174 -1.608 -0.723 -10.228 1.00 3.03 H new ATOM 0 HZ1 LYS A 174 -1.655 -0.735 -12.649 1.00 3.74 H new ATOM 0 HZ2 LYS A 174 -2.717 0.448 -12.053 1.00 3.74 H new ATOM 0 HZ3 LYS A 174 -1.214 0.905 -12.698 1.00 3.74 H new ATOM 2926 N LEU A 175 -0.578 0.238 -4.987 1.00 0.98 N ATOM 2927 CA LEU A 175 0.408 -0.839 -4.688 1.00 0.88 C ATOM 2928 C LEU A 175 0.140 -2.041 -5.599 1.00 0.86 C ATOM 2929 O LEU A 175 -0.991 -2.349 -5.920 1.00 1.09 O ATOM 2930 CB LEU A 175 0.280 -1.257 -3.221 1.00 1.00 C ATOM 2931 CG LEU A 175 0.721 -0.100 -2.322 1.00 1.16 C ATOM 2932 CD1 LEU A 175 -0.501 0.498 -1.622 1.00 1.78 C ATOM 2933 CD2 LEU A 175 1.706 -0.618 -1.272 1.00 1.40 C ATOM 0 H LEU A 175 -1.322 0.350 -4.298 1.00 0.98 H new ATOM 0 HA LEU A 175 1.418 -0.471 -4.867 1.00 0.88 H new ATOM 0 HB2 LEU A 175 -0.751 -1.532 -2.999 1.00 1.00 H new ATOM 0 HB3 LEU A 175 0.894 -2.137 -3.027 1.00 1.00 H new ATOM 0 HG LEU A 175 1.204 0.667 -2.928 1.00 1.16 H new ATOM 0 HD11 LEU A 175 -0.186 1.322 -0.982 1.00 1.78 H new ATOM 0 HD12 LEU A 175 -1.204 0.867 -2.369 1.00 1.78 H new ATOM 0 HD13 LEU A 175 -0.984 -0.268 -1.016 1.00 1.78 H new ATOM 0 HD21 LEU A 175 2.021 0.205 -0.631 1.00 1.40 H new ATOM 0 HD22 LEU A 175 1.223 -1.385 -0.667 1.00 1.40 H new ATOM 0 HD23 LEU A 175 2.577 -1.044 -1.769 1.00 1.40 H new ATOM 2945 N THR A 176 1.174 -2.720 -6.021 1.00 0.90 N ATOM 2946 CA THR A 176 0.980 -3.898 -6.913 1.00 0.89 C ATOM 2947 C THR A 176 1.638 -5.130 -6.287 1.00 0.79 C ATOM 2948 O THR A 176 2.731 -5.515 -6.651 1.00 0.87 O ATOM 2949 CB THR A 176 1.619 -3.617 -8.274 1.00 0.93 C ATOM 2950 OG1 THR A 176 0.863 -2.624 -8.954 1.00 1.49 O ATOM 2951 CG2 THR A 176 1.642 -4.901 -9.104 1.00 1.49 C ATOM 0 H THR A 176 2.144 -2.509 -5.786 1.00 0.90 H new ATOM 0 HA THR A 176 -0.087 -4.083 -7.041 1.00 0.89 H new ATOM 0 HB THR A 176 2.640 -3.262 -8.130 1.00 0.93 H new ATOM 0 HG1 THR A 176 1.204 -1.736 -8.720 1.00 1.49 H new ATOM 0 HG21 THR A 176 2.098 -4.699 -10.074 1.00 1.49 H new ATOM 0 HG22 THR A 176 2.222 -5.662 -8.582 1.00 1.49 H new ATOM 0 HG23 THR A 176 0.623 -5.259 -9.249 1.00 1.49 H new ATOM 2959 N ARG A 177 0.981 -5.751 -5.348 1.00 0.76 N ATOM 2960 CA ARG A 177 1.567 -6.957 -4.699 1.00 0.72 C ATOM 2961 C ARG A 177 1.889 -8.005 -5.767 1.00 0.62 C ATOM 2962 O ARG A 177 1.017 -8.707 -6.244 1.00 0.60 O ATOM 2963 CB ARG A 177 0.559 -7.522 -3.690 1.00 0.84 C ATOM 2964 CG ARG A 177 0.886 -8.986 -3.372 1.00 1.36 C ATOM 2965 CD ARG A 177 2.211 -9.059 -2.612 1.00 1.93 C ATOM 2966 NE ARG A 177 2.475 -10.467 -2.204 1.00 2.35 N ATOM 2967 CZ ARG A 177 3.036 -11.295 -3.042 1.00 2.79 C ATOM 2968 NH1 ARG A 177 2.367 -11.733 -4.075 1.00 3.22 N ATOM 2969 NH2 ARG A 177 4.265 -11.685 -2.850 1.00 3.36 N ATOM 0 H ARG A 177 0.062 -5.475 -5.001 1.00 0.76 H new ATOM 0 HA ARG A 177 2.487 -6.691 -4.178 1.00 0.72 H new ATOM 0 HB2 ARG A 177 0.580 -6.931 -2.775 1.00 0.84 H new ATOM 0 HB3 ARG A 177 -0.451 -7.448 -4.094 1.00 0.84 H new ATOM 0 HG2 ARG A 177 0.087 -9.427 -2.775 1.00 1.36 H new ATOM 0 HG3 ARG A 177 0.951 -9.564 -4.294 1.00 1.36 H new ATOM 0 HD2 ARG A 177 3.023 -8.693 -3.240 1.00 1.93 H new ATOM 0 HD3 ARG A 177 2.174 -8.416 -1.733 1.00 1.93 H new ATOM 0 HE ARG A 177 2.217 -10.784 -1.269 1.00 2.35 H new ATOM 0 HH11 ARG A 177 1.406 -11.428 -4.227 1.00 3.22 H new ATOM 0 HH12 ARG A 177 2.806 -12.380 -4.730 1.00 3.22 H new ATOM 0 HH21 ARG A 177 4.789 -11.343 -2.044 1.00 3.36 H new ATOM 0 HH22 ARG A 177 4.703 -12.332 -3.505 1.00 3.36 H new ATOM 2983 N HIS A 178 3.135 -8.115 -6.138 1.00 0.76 N ATOM 2984 CA HIS A 178 3.526 -9.115 -7.169 1.00 0.84 C ATOM 2985 C HIS A 178 4.274 -10.266 -6.490 1.00 0.76 C ATOM 2986 O HIS A 178 4.262 -10.396 -5.282 1.00 0.98 O ATOM 2987 CB HIS A 178 4.434 -8.449 -8.207 1.00 1.17 C ATOM 2988 CG HIS A 178 5.426 -7.559 -7.511 1.00 0.73 C ATOM 2989 ND1 HIS A 178 6.474 -8.067 -6.759 1.00 0.66 N ATOM 2990 CD2 HIS A 178 5.545 -6.192 -7.443 1.00 0.80 C ATOM 2991 CE1 HIS A 178 7.170 -7.022 -6.276 1.00 0.71 C ATOM 2992 NE2 HIS A 178 6.647 -5.856 -6.662 1.00 0.96 N ATOM 0 H HIS A 178 3.902 -7.552 -5.769 1.00 0.76 H new ATOM 0 HA HIS A 178 2.636 -9.501 -7.667 1.00 0.84 H new ATOM 0 HB2 HIS A 178 4.957 -9.208 -8.789 1.00 1.17 H new ATOM 0 HB3 HIS A 178 3.836 -7.866 -8.908 1.00 1.17 H new ATOM 0 HD2 HIS A 178 4.884 -5.485 -7.923 1.00 0.80 H new ATOM 0 HE1 HIS A 178 8.046 -7.115 -5.651 1.00 0.71 H new ATOM 0 HE2 HIS A 178 6.983 -4.920 -6.434 1.00 0.96 H new ATOM 3000 N THR A 179 4.924 -11.103 -7.252 1.00 0.84 N ATOM 3001 CA THR A 179 5.666 -12.243 -6.638 1.00 0.80 C ATOM 3002 C THR A 179 6.693 -11.711 -5.634 1.00 0.72 C ATOM 3003 O THR A 179 6.449 -11.676 -4.445 1.00 0.99 O ATOM 3004 CB THR A 179 6.383 -13.049 -7.727 1.00 0.87 C ATOM 3005 OG1 THR A 179 6.112 -12.483 -9.001 1.00 1.48 O ATOM 3006 CG2 THR A 179 5.888 -14.495 -7.698 1.00 1.55 C ATOM 0 H THR A 179 4.974 -11.048 -8.269 1.00 0.84 H new ATOM 0 HA THR A 179 4.957 -12.891 -6.122 1.00 0.80 H new ATOM 0 HB THR A 179 7.457 -13.025 -7.544 1.00 0.87 H new ATOM 0 HG1 THR A 179 5.179 -12.658 -9.245 1.00 1.48 H new ATOM 0 HG21 THR A 179 6.397 -15.069 -8.472 1.00 1.55 H new ATOM 0 HG22 THR A 179 6.100 -14.933 -6.723 1.00 1.55 H new ATOM 0 HG23 THR A 179 4.813 -14.515 -7.879 1.00 1.55 H new ATOM 3014 N THR A 180 7.842 -11.297 -6.098 1.00 0.73 N ATOM 3015 CA THR A 180 8.877 -10.771 -5.161 1.00 0.63 C ATOM 3016 C THR A 180 10.109 -10.333 -5.966 1.00 0.61 C ATOM 3017 O THR A 180 10.635 -11.078 -6.770 1.00 0.65 O ATOM 3018 CB THR A 180 9.232 -11.874 -4.135 1.00 0.63 C ATOM 3019 OG1 THR A 180 8.879 -11.429 -2.834 1.00 0.82 O ATOM 3020 CG2 THR A 180 10.732 -12.212 -4.161 1.00 0.85 C ATOM 0 H THR A 180 8.108 -11.300 -7.083 1.00 0.73 H new ATOM 0 HA THR A 180 8.501 -9.904 -4.617 1.00 0.63 H new ATOM 0 HB THR A 180 8.677 -12.774 -4.399 1.00 0.63 H new ATOM 0 HG1 THR A 180 7.908 -11.308 -2.782 1.00 0.82 H new ATOM 0 HG21 THR A 180 10.942 -12.990 -3.427 1.00 0.85 H new ATOM 0 HG22 THR A 180 11.008 -12.566 -5.154 1.00 0.85 H new ATOM 0 HG23 THR A 180 11.310 -11.320 -3.920 1.00 0.85 H new ATOM 3028 N ASP A 181 10.570 -9.131 -5.755 1.00 0.61 N ATOM 3029 CA ASP A 181 11.763 -8.646 -6.504 1.00 0.64 C ATOM 3030 C ASP A 181 13.036 -9.174 -5.838 1.00 0.61 C ATOM 3031 O ASP A 181 14.104 -9.154 -6.417 1.00 0.67 O ATOM 3032 CB ASP A 181 11.779 -7.116 -6.499 1.00 0.69 C ATOM 3033 CG ASP A 181 11.207 -6.594 -7.819 1.00 0.84 C ATOM 3034 OD1 ASP A 181 11.348 -7.282 -8.817 1.00 1.41 O ATOM 3035 OD2 ASP A 181 10.638 -5.515 -7.809 1.00 1.38 O ATOM 0 H ASP A 181 10.171 -8.463 -5.095 1.00 0.61 H new ATOM 0 HA ASP A 181 11.718 -9.006 -7.532 1.00 0.64 H new ATOM 0 HB2 ASP A 181 11.192 -6.739 -5.662 1.00 0.69 H new ATOM 0 HB3 ASP A 181 12.798 -6.753 -6.363 1.00 0.69 H new ATOM 3040 N VAL A 182 12.934 -9.646 -4.624 1.00 0.60 N ATOM 3041 CA VAL A 182 14.142 -10.173 -3.928 1.00 0.59 C ATOM 3042 C VAL A 182 13.869 -11.584 -3.404 1.00 0.63 C ATOM 3043 O VAL A 182 12.921 -11.794 -2.676 1.00 0.63 O ATOM 3044 CB VAL A 182 14.482 -9.281 -2.736 1.00 0.55 C ATOM 3045 CG1 VAL A 182 15.789 -9.756 -2.102 1.00 0.60 C ATOM 3046 CG2 VAL A 182 14.640 -7.839 -3.206 1.00 0.59 C ATOM 0 H VAL A 182 12.068 -9.689 -4.086 1.00 0.60 H new ATOM 0 HA VAL A 182 14.970 -10.190 -4.637 1.00 0.59 H new ATOM 0 HB VAL A 182 13.679 -9.336 -2.001 1.00 0.55 H new ATOM 0 HG11 VAL A 182 16.033 -9.120 -1.251 1.00 0.60 H new ATOM 0 HG12 VAL A 182 15.676 -10.786 -1.765 1.00 0.60 H new ATOM 0 HG13 VAL A 182 16.591 -9.701 -2.838 1.00 0.60 H new ATOM 0 HG21 VAL A 182 14.883 -7.203 -2.354 1.00 0.59 H new ATOM 0 HG22 VAL A 182 15.442 -7.782 -3.942 1.00 0.59 H new ATOM 0 HG23 VAL A 182 13.708 -7.500 -3.658 1.00 0.59 H new ATOM 3056 N PRO A 183 14.712 -12.509 -3.772 1.00 0.72 N ATOM 3057 CA PRO A 183 14.588 -13.901 -3.335 1.00 0.77 C ATOM 3058 C PRO A 183 14.394 -13.923 -1.817 1.00 0.71 C ATOM 3059 O PRO A 183 15.239 -13.466 -1.078 1.00 0.66 O ATOM 3060 CB PRO A 183 15.907 -14.562 -3.719 1.00 0.85 C ATOM 3061 CG PRO A 183 16.369 -13.709 -4.923 1.00 1.06 C ATOM 3062 CD PRO A 183 15.871 -12.269 -4.659 1.00 0.84 C ATOM 0 HA PRO A 183 13.742 -14.418 -3.789 1.00 0.77 H new ATOM 0 HB2 PRO A 183 16.628 -14.535 -2.902 1.00 0.85 H new ATOM 0 HB3 PRO A 183 15.773 -15.609 -3.991 1.00 0.85 H new ATOM 0 HG2 PRO A 183 17.454 -13.732 -5.021 1.00 1.06 H new ATOM 0 HG3 PRO A 183 15.957 -14.097 -5.854 1.00 1.06 H new ATOM 0 HD2 PRO A 183 16.633 -11.654 -4.180 1.00 0.84 H new ATOM 0 HD3 PRO A 183 15.584 -11.760 -5.579 1.00 0.84 H new ATOM 3070 N ASP A 184 13.288 -14.442 -1.349 1.00 0.77 N ATOM 3071 CA ASP A 184 13.044 -14.482 0.125 1.00 0.75 C ATOM 3072 C ASP A 184 14.345 -14.833 0.856 1.00 0.73 C ATOM 3073 O ASP A 184 14.603 -14.358 1.944 1.00 0.73 O ATOM 3074 CB ASP A 184 11.982 -15.539 0.435 1.00 0.86 C ATOM 3075 CG ASP A 184 10.690 -15.201 -0.313 1.00 1.36 C ATOM 3076 OD1 ASP A 184 10.683 -14.210 -1.024 1.00 2.01 O ATOM 3077 OD2 ASP A 184 9.731 -15.941 -0.163 1.00 1.96 O ATOM 0 H ASP A 184 12.544 -14.839 -1.923 1.00 0.77 H new ATOM 0 HA ASP A 184 12.696 -13.505 0.461 1.00 0.75 H new ATOM 0 HB2 ASP A 184 12.339 -16.526 0.139 1.00 0.86 H new ATOM 0 HB3 ASP A 184 11.794 -15.577 1.508 1.00 0.86 H new ATOM 3082 N LYS A 185 15.168 -15.657 0.263 1.00 0.76 N ATOM 3083 CA LYS A 185 16.452 -16.032 0.922 1.00 0.78 C ATOM 3084 C LYS A 185 17.328 -14.784 1.053 1.00 0.68 C ATOM 3085 O LYS A 185 17.727 -14.402 2.135 1.00 0.69 O ATOM 3086 CB LYS A 185 17.175 -17.077 0.072 1.00 0.86 C ATOM 3087 CG LYS A 185 16.742 -18.476 0.508 1.00 1.08 C ATOM 3088 CD LYS A 185 17.818 -19.488 0.111 1.00 1.53 C ATOM 3089 CE LYS A 185 18.531 -19.993 1.365 1.00 1.82 C ATOM 3090 NZ LYS A 185 18.699 -21.471 1.278 1.00 2.51 N ATOM 0 H LYS A 185 15.006 -16.086 -0.648 1.00 0.76 H new ATOM 0 HA LYS A 185 16.252 -16.447 1.910 1.00 0.78 H new ATOM 0 HB2 LYS A 185 16.945 -16.926 -0.983 1.00 0.86 H new ATOM 0 HB3 LYS A 185 18.254 -16.968 0.182 1.00 0.86 H new ATOM 0 HG2 LYS A 185 16.585 -18.500 1.586 1.00 1.08 H new ATOM 0 HG3 LYS A 185 15.792 -18.737 0.041 1.00 1.08 H new ATOM 0 HD2 LYS A 185 17.367 -20.323 -0.425 1.00 1.53 H new ATOM 0 HD3 LYS A 185 18.535 -19.025 -0.566 1.00 1.53 H new ATOM 0 HE2 LYS A 185 19.504 -19.511 1.463 1.00 1.82 H new ATOM 0 HE3 LYS A 185 17.955 -19.733 2.253 1.00 1.82 H new ATOM 0 HZ1 LYS A 185 19.184 -21.816 2.131 1.00 2.51 H new ATOM 0 HZ2 LYS A 185 17.765 -21.923 1.204 1.00 2.51 H new ATOM 0 HZ3 LYS A 185 19.265 -21.707 0.438 1.00 2.51 H new ATOM 3104 N TYR A 186 17.622 -14.141 -0.045 1.00 0.63 N ATOM 3105 CA TYR A 186 18.462 -12.910 0.006 1.00 0.58 C ATOM 3106 C TYR A 186 17.596 -11.734 0.467 1.00 0.51 C ATOM 3107 O TYR A 186 18.042 -10.607 0.521 1.00 0.47 O ATOM 3108 CB TYR A 186 19.023 -12.622 -1.386 1.00 0.63 C ATOM 3109 CG TYR A 186 19.419 -13.924 -2.038 1.00 0.92 C ATOM 3110 CD1 TYR A 186 19.896 -14.983 -1.255 1.00 1.40 C ATOM 3111 CD2 TYR A 186 19.303 -14.074 -3.425 1.00 1.83 C ATOM 3112 CE1 TYR A 186 20.258 -16.194 -1.861 1.00 1.74 C ATOM 3113 CE2 TYR A 186 19.665 -15.285 -4.031 1.00 2.19 C ATOM 3114 CZ TYR A 186 20.142 -16.345 -3.249 1.00 1.84 C ATOM 3115 OH TYR A 186 20.497 -17.537 -3.846 1.00 2.33 O ATOM 0 H TYR A 186 17.315 -14.416 -0.978 1.00 0.63 H new ATOM 0 HA TYR A 186 19.287 -13.052 0.704 1.00 0.58 H new ATOM 0 HB2 TYR A 186 18.277 -12.109 -1.993 1.00 0.63 H new ATOM 0 HB3 TYR A 186 19.886 -11.960 -1.314 1.00 0.63 H new ATOM 0 HD1 TYR A 186 19.985 -14.867 -0.185 1.00 1.40 H new ATOM 0 HD2 TYR A 186 18.935 -13.257 -4.028 1.00 1.83 H new ATOM 0 HE1 TYR A 186 20.626 -17.011 -1.258 1.00 1.74 H new ATOM 0 HE2 TYR A 186 19.576 -15.401 -5.101 1.00 2.19 H new ATOM 0 HH TYR A 186 21.027 -17.355 -4.650 1.00 2.33 H new ATOM 3125 N TRP A 187 16.359 -11.994 0.800 1.00 0.53 N ATOM 3126 CA TRP A 187 15.454 -10.910 1.260 1.00 0.49 C ATOM 3127 C TRP A 187 15.933 -10.389 2.612 1.00 0.49 C ATOM 3128 O TRP A 187 16.107 -9.202 2.802 1.00 0.48 O ATOM 3129 CB TRP A 187 14.047 -11.474 1.406 1.00 0.55 C ATOM 3130 CG TRP A 187 13.098 -10.359 1.669 1.00 0.54 C ATOM 3131 CD1 TRP A 187 13.097 -9.581 2.773 1.00 0.55 C ATOM 3132 CD2 TRP A 187 12.014 -9.884 0.831 1.00 0.54 C ATOM 3133 NE1 TRP A 187 12.079 -8.658 2.665 1.00 0.58 N ATOM 3134 CE2 TRP A 187 11.380 -8.807 1.489 1.00 0.57 C ATOM 3135 CE3 TRP A 187 11.523 -10.281 -0.423 1.00 0.56 C ATOM 3136 CZ2 TRP A 187 10.295 -8.149 0.923 1.00 0.61 C ATOM 3137 CZ3 TRP A 187 10.430 -9.619 -0.999 1.00 0.59 C ATOM 3138 CH2 TRP A 187 9.815 -8.554 -0.323 1.00 0.61 C ATOM 0 H TRP A 187 15.937 -12.922 0.771 1.00 0.53 H new ATOM 0 HA TRP A 187 15.455 -10.094 0.537 1.00 0.49 H new ATOM 0 HB2 TRP A 187 13.760 -12.006 0.499 1.00 0.55 H new ATOM 0 HB3 TRP A 187 14.014 -12.195 2.222 1.00 0.55 H new ATOM 0 HD1 TRP A 187 13.781 -9.668 3.604 1.00 0.55 H new ATOM 0 HE1 TRP A 187 11.870 -7.951 3.370 1.00 0.58 H new ATOM 0 HE3 TRP A 187 11.990 -11.102 -0.947 1.00 0.56 H new ATOM 0 HZ2 TRP A 187 9.826 -7.328 1.445 1.00 0.61 H new ATOM 0 HZ3 TRP A 187 10.060 -9.929 -1.965 1.00 0.59 H new ATOM 0 HH2 TRP A 187 8.970 -8.048 -0.767 1.00 0.61 H new ATOM 3149 N LYS A 188 16.155 -11.263 3.556 1.00 0.55 N ATOM 3150 CA LYS A 188 16.632 -10.799 4.885 1.00 0.58 C ATOM 3151 C LYS A 188 18.000 -10.160 4.684 1.00 0.55 C ATOM 3152 O LYS A 188 18.395 -9.254 5.392 1.00 0.63 O ATOM 3153 CB LYS A 188 16.741 -11.986 5.841 1.00 0.70 C ATOM 3154 CG LYS A 188 15.356 -12.295 6.410 1.00 0.81 C ATOM 3155 CD LYS A 188 15.432 -13.545 7.289 1.00 0.98 C ATOM 3156 CE LYS A 188 14.762 -13.265 8.636 1.00 1.57 C ATOM 3157 NZ LYS A 188 14.796 -14.499 9.471 1.00 2.00 N ATOM 0 H LYS A 188 16.027 -12.271 3.464 1.00 0.55 H new ATOM 0 HA LYS A 188 15.935 -10.080 5.315 1.00 0.58 H new ATOM 0 HB2 LYS A 188 17.136 -12.857 5.317 1.00 0.70 H new ATOM 0 HB3 LYS A 188 17.437 -11.757 6.648 1.00 0.70 H new ATOM 0 HG2 LYS A 188 14.994 -11.449 6.994 1.00 0.81 H new ATOM 0 HG3 LYS A 188 14.645 -12.451 5.599 1.00 0.81 H new ATOM 0 HD2 LYS A 188 14.940 -14.381 6.793 1.00 0.98 H new ATOM 0 HD3 LYS A 188 16.472 -13.832 7.441 1.00 0.98 H new ATOM 0 HE2 LYS A 188 15.276 -12.452 9.148 1.00 1.57 H new ATOM 0 HE3 LYS A 188 13.732 -12.945 8.483 1.00 1.57 H new ATOM 0 HZ1 LYS A 188 14.341 -14.311 10.387 1.00 2.00 H new ATOM 0 HZ2 LYS A 188 14.287 -15.263 8.982 1.00 2.00 H new ATOM 0 HZ3 LYS A 188 15.784 -14.785 9.627 1.00 2.00 H new ATOM 3171 N LEU A 189 18.717 -10.626 3.701 1.00 0.60 N ATOM 3172 CA LEU A 189 20.057 -10.060 3.409 1.00 0.61 C ATOM 3173 C LEU A 189 19.842 -8.704 2.729 1.00 0.52 C ATOM 3174 O LEU A 189 20.680 -7.828 2.772 1.00 0.53 O ATOM 3175 CB LEU A 189 20.806 -11.027 2.476 1.00 0.76 C ATOM 3176 CG LEU A 189 21.875 -10.290 1.671 1.00 0.78 C ATOM 3177 CD1 LEU A 189 23.209 -11.026 1.804 1.00 1.39 C ATOM 3178 CD2 LEU A 189 21.457 -10.266 0.203 1.00 1.22 C ATOM 0 H LEU A 189 18.426 -11.383 3.082 1.00 0.60 H new ATOM 0 HA LEU A 189 20.648 -9.927 4.315 1.00 0.61 H new ATOM 0 HB2 LEU A 189 21.269 -11.820 3.063 1.00 0.76 H new ATOM 0 HB3 LEU A 189 20.099 -11.505 1.798 1.00 0.76 H new ATOM 0 HG LEU A 189 21.984 -9.272 2.045 1.00 0.78 H new ATOM 0 HD11 LEU A 189 23.973 -10.501 1.230 1.00 1.39 H new ATOM 0 HD12 LEU A 189 23.503 -11.060 2.853 1.00 1.39 H new ATOM 0 HD13 LEU A 189 23.103 -12.042 1.424 1.00 1.39 H new ATOM 0 HD21 LEU A 189 22.213 -9.742 -0.382 1.00 1.22 H new ATOM 0 HD22 LEU A 189 21.358 -11.288 -0.164 1.00 1.22 H new ATOM 0 HD23 LEU A 189 20.501 -9.751 0.105 1.00 1.22 H new ATOM 3190 N TYR A 190 18.706 -8.535 2.108 1.00 0.58 N ATOM 3191 CA TYR A 190 18.397 -7.250 1.422 1.00 0.61 C ATOM 3192 C TYR A 190 18.114 -6.175 2.471 1.00 0.52 C ATOM 3193 O TYR A 190 18.743 -5.138 2.495 1.00 0.49 O ATOM 3194 CB TYR A 190 17.160 -7.430 0.539 1.00 0.77 C ATOM 3195 CG TYR A 190 17.462 -6.949 -0.858 1.00 0.54 C ATOM 3196 CD1 TYR A 190 18.553 -7.479 -1.559 1.00 1.40 C ATOM 3197 CD2 TYR A 190 16.654 -5.972 -1.455 1.00 1.38 C ATOM 3198 CE1 TYR A 190 18.837 -7.033 -2.856 1.00 1.74 C ATOM 3199 CE2 TYR A 190 16.938 -5.526 -2.753 1.00 1.66 C ATOM 3200 CZ TYR A 190 18.030 -6.056 -3.453 1.00 1.50 C ATOM 3201 OH TYR A 190 18.310 -5.616 -4.731 1.00 2.10 O ATOM 0 H TYR A 190 17.972 -9.241 2.047 1.00 0.58 H new ATOM 0 HA TYR A 190 19.245 -6.951 0.807 1.00 0.61 H new ATOM 0 HB2 TYR A 190 16.865 -8.479 0.518 1.00 0.77 H new ATOM 0 HB3 TYR A 190 16.321 -6.872 0.953 1.00 0.77 H new ATOM 0 HD1 TYR A 190 19.176 -8.232 -1.099 1.00 1.40 H new ATOM 0 HD2 TYR A 190 15.813 -5.563 -0.915 1.00 1.38 H new ATOM 0 HE1 TYR A 190 19.678 -7.442 -3.396 1.00 1.74 H new ATOM 0 HE2 TYR A 190 16.315 -4.774 -3.214 1.00 1.66 H new ATOM 0 HH TYR A 190 19.242 -5.825 -4.952 1.00 2.10 H new ATOM 3211 N THR A 191 17.171 -6.415 3.340 1.00 0.54 N ATOM 3212 CA THR A 191 16.847 -5.407 4.389 1.00 0.52 C ATOM 3213 C THR A 191 18.143 -4.894 5.013 1.00 0.47 C ATOM 3214 O THR A 191 18.441 -3.723 4.954 1.00 0.49 O ATOM 3215 CB THR A 191 15.976 -6.053 5.470 1.00 0.56 C ATOM 3216 OG1 THR A 191 16.233 -7.450 5.519 1.00 0.80 O ATOM 3217 CG2 THR A 191 14.502 -5.818 5.146 1.00 0.62 C ATOM 0 H THR A 191 16.610 -7.266 3.369 1.00 0.54 H new ATOM 0 HA THR A 191 16.304 -4.575 3.941 1.00 0.52 H new ATOM 0 HB THR A 191 16.212 -5.608 6.437 1.00 0.56 H new ATOM 0 HG1 THR A 191 17.194 -7.610 5.410 1.00 0.80 H new ATOM 0 HG21 THR A 191 13.882 -6.278 5.916 1.00 0.62 H new ATOM 0 HG22 THR A 191 14.303 -4.747 5.112 1.00 0.62 H new ATOM 0 HG23 THR A 191 14.267 -6.261 4.178 1.00 0.62 H new ATOM 3225 N TYR A 192 18.920 -5.758 5.608 1.00 0.52 N ATOM 3226 CA TYR A 192 20.197 -5.301 6.228 1.00 0.54 C ATOM 3227 C TYR A 192 20.939 -4.406 5.236 1.00 0.49 C ATOM 3228 O TYR A 192 21.333 -3.302 5.556 1.00 0.52 O ATOM 3229 CB TYR A 192 21.065 -6.517 6.565 1.00 0.63 C ATOM 3230 CG TYR A 192 21.170 -6.663 8.064 1.00 1.06 C ATOM 3231 CD1 TYR A 192 21.503 -5.556 8.854 1.00 1.68 C ATOM 3232 CD2 TYR A 192 20.934 -7.907 8.665 1.00 1.97 C ATOM 3233 CE1 TYR A 192 21.599 -5.691 10.245 1.00 2.27 C ATOM 3234 CE2 TYR A 192 21.031 -8.043 10.057 1.00 2.66 C ATOM 3235 CZ TYR A 192 21.364 -6.934 10.847 1.00 2.58 C ATOM 3236 OH TYR A 192 21.459 -7.067 12.217 1.00 3.37 O ATOM 0 H TYR A 192 18.727 -6.756 5.692 1.00 0.52 H new ATOM 0 HA TYR A 192 19.985 -4.745 7.141 1.00 0.54 H new ATOM 0 HB2 TYR A 192 20.631 -7.418 6.131 1.00 0.63 H new ATOM 0 HB3 TYR A 192 22.058 -6.400 6.130 1.00 0.63 H new ATOM 0 HD1 TYR A 192 21.686 -4.598 8.391 1.00 1.68 H new ATOM 0 HD2 TYR A 192 20.677 -8.761 8.056 1.00 1.97 H new ATOM 0 HE1 TYR A 192 21.854 -4.836 10.854 1.00 2.27 H new ATOM 0 HE2 TYR A 192 20.849 -9.002 10.520 1.00 2.66 H new ATOM 0 HH TYR A 192 21.265 -7.994 12.470 1.00 3.37 H new ATOM 3246 N PHE A 193 21.129 -4.871 4.030 1.00 0.48 N ATOM 3247 CA PHE A 193 21.841 -4.040 3.021 1.00 0.50 C ATOM 3248 C PHE A 193 21.277 -2.624 3.079 1.00 0.45 C ATOM 3249 O PHE A 193 22.001 -1.652 3.061 1.00 0.53 O ATOM 3250 CB PHE A 193 21.613 -4.617 1.622 1.00 0.58 C ATOM 3251 CG PHE A 193 22.546 -5.781 1.390 1.00 0.61 C ATOM 3252 CD1 PHE A 193 22.913 -6.615 2.455 1.00 1.55 C ATOM 3253 CD2 PHE A 193 23.039 -6.032 0.103 1.00 1.17 C ATOM 3254 CE1 PHE A 193 23.771 -7.698 2.233 1.00 1.62 C ATOM 3255 CE2 PHE A 193 23.900 -7.114 -0.118 1.00 1.21 C ATOM 3256 CZ PHE A 193 24.265 -7.947 0.947 1.00 0.83 C ATOM 0 H PHE A 193 20.823 -5.787 3.702 1.00 0.48 H new ATOM 0 HA PHE A 193 22.910 -4.033 3.234 1.00 0.50 H new ATOM 0 HB2 PHE A 193 20.578 -4.942 1.517 1.00 0.58 H new ATOM 0 HB3 PHE A 193 21.783 -3.847 0.869 1.00 0.58 H new ATOM 0 HD1 PHE A 193 22.533 -6.422 3.447 1.00 1.55 H new ATOM 0 HD2 PHE A 193 22.755 -5.391 -0.719 1.00 1.17 H new ATOM 0 HE1 PHE A 193 24.052 -8.342 3.054 1.00 1.62 H new ATOM 0 HE2 PHE A 193 24.283 -7.306 -1.110 1.00 1.21 H new ATOM 0 HZ PHE A 193 24.928 -8.782 0.776 1.00 0.83 H new ATOM 3266 N VAL A 194 19.980 -2.510 3.157 1.00 0.40 N ATOM 3267 CA VAL A 194 19.348 -1.164 3.225 1.00 0.39 C ATOM 3268 C VAL A 194 19.832 -0.465 4.500 1.00 0.39 C ATOM 3269 O VAL A 194 20.366 0.619 4.458 1.00 0.50 O ATOM 3270 CB VAL A 194 17.814 -1.303 3.269 1.00 0.43 C ATOM 3271 CG1 VAL A 194 17.159 0.008 2.850 1.00 1.28 C ATOM 3272 CG2 VAL A 194 17.346 -2.418 2.328 1.00 1.48 C ATOM 0 H VAL A 194 19.329 -3.295 3.177 1.00 0.40 H new ATOM 0 HA VAL A 194 19.623 -0.583 2.345 1.00 0.39 H new ATOM 0 HB VAL A 194 17.524 -1.551 4.290 1.00 0.43 H new ATOM 0 HG11 VAL A 194 16.075 -0.100 2.884 1.00 1.28 H new ATOM 0 HG12 VAL A 194 17.466 0.802 3.531 1.00 1.28 H new ATOM 0 HG13 VAL A 194 17.467 0.260 1.835 1.00 1.28 H new ATOM 0 HG21 VAL A 194 16.260 -2.500 2.373 1.00 1.48 H new ATOM 0 HG22 VAL A 194 17.650 -2.184 1.308 1.00 1.48 H new ATOM 0 HG23 VAL A 194 17.795 -3.363 2.633 1.00 1.48 H new ATOM 3282 N SER A 195 19.642 -1.094 5.629 1.00 0.49 N ATOM 3283 CA SER A 195 20.073 -0.507 6.933 1.00 0.55 C ATOM 3284 C SER A 195 21.377 0.287 6.781 1.00 0.54 C ATOM 3285 O SER A 195 21.408 1.485 6.977 1.00 0.60 O ATOM 3286 CB SER A 195 20.287 -1.642 7.937 1.00 0.65 C ATOM 3287 OG SER A 195 20.614 -1.092 9.207 1.00 0.83 O ATOM 0 H SER A 195 19.197 -2.009 5.704 1.00 0.49 H new ATOM 0 HA SER A 195 19.298 0.175 7.282 1.00 0.55 H new ATOM 0 HB2 SER A 195 19.386 -2.250 8.013 1.00 0.65 H new ATOM 0 HB3 SER A 195 21.087 -2.299 7.596 1.00 0.65 H new ATOM 0 HG SER A 195 20.750 -1.817 9.852 1.00 0.83 H new ATOM 3293 N LYS A 196 22.454 -0.369 6.446 1.00 0.61 N ATOM 3294 CA LYS A 196 23.754 0.353 6.295 1.00 0.64 C ATOM 3295 C LYS A 196 23.678 1.342 5.129 1.00 0.58 C ATOM 3296 O LYS A 196 24.235 2.420 5.182 1.00 0.65 O ATOM 3297 CB LYS A 196 24.865 -0.661 6.028 1.00 0.74 C ATOM 3298 CG LYS A 196 25.784 -0.742 7.246 1.00 1.24 C ATOM 3299 CD LYS A 196 26.438 -2.123 7.303 1.00 1.26 C ATOM 3300 CE LYS A 196 27.017 -2.471 5.931 1.00 0.94 C ATOM 3301 NZ LYS A 196 26.366 -3.710 5.418 1.00 1.16 N ATOM 0 H LYS A 196 22.492 -1.373 6.270 1.00 0.61 H new ATOM 0 HA LYS A 196 23.965 0.903 7.212 1.00 0.64 H new ATOM 0 HB2 LYS A 196 24.435 -1.640 5.818 1.00 0.74 H new ATOM 0 HB3 LYS A 196 25.436 -0.367 5.147 1.00 0.74 H new ATOM 0 HG2 LYS A 196 26.549 0.032 7.189 1.00 1.24 H new ATOM 0 HG3 LYS A 196 25.214 -0.560 8.157 1.00 1.24 H new ATOM 0 HD2 LYS A 196 27.227 -2.133 8.055 1.00 1.26 H new ATOM 0 HD3 LYS A 196 25.704 -2.872 7.601 1.00 1.26 H new ATOM 0 HE2 LYS A 196 26.854 -1.647 5.236 1.00 0.94 H new ATOM 0 HE3 LYS A 196 28.095 -2.617 6.005 1.00 0.94 H new ATOM 0 HZ1 LYS A 196 26.759 -3.948 4.485 1.00 1.16 H new ATOM 0 HZ2 LYS A 196 26.543 -4.494 6.078 1.00 1.16 H new ATOM 0 HZ3 LYS A 196 25.341 -3.554 5.333 1.00 1.16 H new ATOM 3315 N TRP A 197 22.995 0.986 4.079 1.00 0.56 N ATOM 3316 CA TRP A 197 22.882 1.905 2.910 1.00 0.57 C ATOM 3317 C TRP A 197 21.873 3.020 3.239 1.00 0.56 C ATOM 3318 O TRP A 197 21.581 3.871 2.422 1.00 0.60 O ATOM 3319 CB TRP A 197 22.447 1.072 1.688 1.00 0.72 C ATOM 3320 CG TRP A 197 21.455 1.797 0.828 1.00 0.57 C ATOM 3321 CD1 TRP A 197 20.189 2.111 1.191 1.00 0.63 C ATOM 3322 CD2 TRP A 197 21.618 2.272 -0.540 1.00 0.57 C ATOM 3323 NE1 TRP A 197 19.569 2.757 0.136 1.00 0.67 N ATOM 3324 CE2 TRP A 197 20.409 2.878 -0.953 1.00 0.61 C ATOM 3325 CE3 TRP A 197 22.691 2.239 -1.453 1.00 0.71 C ATOM 3326 CZ2 TRP A 197 20.267 3.429 -2.227 1.00 0.75 C ATOM 3327 CZ3 TRP A 197 22.550 2.795 -2.737 1.00 0.83 C ATOM 3328 CH2 TRP A 197 21.338 3.388 -3.122 1.00 0.83 C ATOM 0 H TRP A 197 22.508 0.096 3.978 1.00 0.56 H new ATOM 0 HA TRP A 197 23.835 2.383 2.683 1.00 0.57 H new ATOM 0 HB2 TRP A 197 23.324 0.819 1.093 1.00 0.72 H new ATOM 0 HB3 TRP A 197 22.011 0.133 2.028 1.00 0.72 H new ATOM 0 HD1 TRP A 197 19.737 1.893 2.147 1.00 0.63 H new ATOM 0 HE1 TRP A 197 18.609 3.101 0.160 1.00 0.67 H new ATOM 0 HE3 TRP A 197 23.627 1.784 -1.165 1.00 0.71 H new ATOM 0 HZ2 TRP A 197 19.333 3.885 -2.520 1.00 0.75 H new ATOM 0 HZ3 TRP A 197 23.378 2.765 -3.430 1.00 0.83 H new ATOM 0 HH2 TRP A 197 21.234 3.812 -4.110 1.00 0.83 H new ATOM 3339 N VAL A 198 21.347 3.017 4.437 1.00 0.57 N ATOM 3340 CA VAL A 198 20.366 4.060 4.842 1.00 0.61 C ATOM 3341 C VAL A 198 21.077 5.116 5.690 1.00 0.58 C ATOM 3342 O VAL A 198 21.252 6.247 5.282 1.00 0.61 O ATOM 3343 CB VAL A 198 19.264 3.412 5.683 1.00 0.81 C ATOM 3344 CG1 VAL A 198 18.287 4.487 6.160 1.00 1.78 C ATOM 3345 CG2 VAL A 198 18.513 2.373 4.847 1.00 1.27 C ATOM 0 H VAL A 198 21.560 2.327 5.158 1.00 0.57 H new ATOM 0 HA VAL A 198 19.935 4.523 3.954 1.00 0.61 H new ATOM 0 HB VAL A 198 19.714 2.920 6.545 1.00 0.81 H new ATOM 0 HG11 VAL A 198 17.502 4.025 6.759 1.00 1.78 H new ATOM 0 HG12 VAL A 198 18.820 5.221 6.764 1.00 1.78 H new ATOM 0 HG13 VAL A 198 17.841 4.982 5.297 1.00 1.78 H new ATOM 0 HG21 VAL A 198 17.730 1.916 5.452 1.00 1.27 H new ATOM 0 HG22 VAL A 198 18.065 2.859 3.980 1.00 1.27 H new ATOM 0 HG23 VAL A 198 19.209 1.603 4.512 1.00 1.27 H new ATOM 3355 N ASN A 199 21.484 4.747 6.875 1.00 0.67 N ATOM 3356 CA ASN A 199 22.184 5.711 7.769 1.00 0.79 C ATOM 3357 C ASN A 199 23.218 6.505 6.968 1.00 0.81 C ATOM 3358 O ASN A 199 23.040 7.676 6.695 1.00 1.24 O ATOM 3359 CB ASN A 199 22.886 4.937 8.888 1.00 0.92 C ATOM 3360 CG ASN A 199 22.952 5.805 10.145 1.00 1.17 C ATOM 3361 OD1 ASN A 199 23.736 6.731 10.217 1.00 1.75 O ATOM 3362 ND2 ASN A 199 22.156 5.545 11.146 1.00 1.59 N ATOM 0 H ASN A 199 21.360 3.812 7.264 1.00 0.67 H new ATOM 0 HA ASN A 199 21.459 6.403 8.198 1.00 0.79 H new ATOM 0 HB2 ASN A 199 22.347 4.013 9.099 1.00 0.92 H new ATOM 0 HB3 ASN A 199 23.891 4.655 8.575 1.00 0.92 H new ATOM 0 HD21 ASN A 199 22.192 6.119 11.989 1.00 1.59 H new ATOM 0 HD22 ASN A 199 21.498 4.768 11.086 1.00 1.59 H new ATOM 3369 N ARG A 200 24.299 5.880 6.591 1.00 0.92 N ATOM 3370 CA ARG A 200 25.344 6.599 5.810 1.00 0.97 C ATOM 3371 C ARG A 200 26.583 5.712 5.684 1.00 0.96 C ATOM 3372 O ARG A 200 27.702 6.184 5.699 1.00 1.36 O ATOM 3373 CB ARG A 200 25.716 7.897 6.529 1.00 1.20 C ATOM 3374 CG ARG A 200 25.413 9.088 5.617 1.00 1.41 C ATOM 3375 CD ARG A 200 26.721 9.645 5.053 1.00 1.49 C ATOM 3376 NE ARG A 200 27.383 10.498 6.080 1.00 1.90 N ATOM 3377 CZ ARG A 200 27.437 11.791 5.917 1.00 2.21 C ATOM 3378 NH1 ARG A 200 27.651 12.292 4.731 1.00 2.83 N ATOM 3379 NH2 ARG A 200 27.273 12.585 6.940 1.00 2.66 N ATOM 0 H ARG A 200 24.504 4.901 6.790 1.00 0.92 H new ATOM 0 HA ARG A 200 24.961 6.832 4.817 1.00 0.97 H new ATOM 0 HB2 ARG A 200 25.154 7.985 7.459 1.00 1.20 H new ATOM 0 HB3 ARG A 200 26.773 7.888 6.795 1.00 1.20 H new ATOM 0 HG2 ARG A 200 24.756 8.779 4.804 1.00 1.41 H new ATOM 0 HG3 ARG A 200 24.886 9.862 6.175 1.00 1.41 H new ATOM 0 HD2 ARG A 200 27.381 8.828 4.763 1.00 1.49 H new ATOM 0 HD3 ARG A 200 26.522 10.228 4.154 1.00 1.49 H new ATOM 0 HE ARG A 200 27.794 10.071 6.910 1.00 1.90 H new ATOM 0 HH11 ARG A 200 27.776 11.672 3.931 1.00 2.83 H new ATOM 0 HH12 ARG A 200 27.693 13.303 4.605 1.00 2.83 H new ATOM 0 HH21 ARG A 200 27.103 12.194 7.867 1.00 2.66 H new ATOM 0 HH22 ARG A 200 27.315 13.596 6.813 1.00 2.66 H new ATOM 3393 N GLU A 201 26.391 4.427 5.560 1.00 0.74 N ATOM 3394 CA GLU A 201 27.555 3.508 5.433 1.00 0.72 C ATOM 3395 C GLU A 201 27.874 3.295 3.954 1.00 0.69 C ATOM 3396 O GLU A 201 28.074 2.185 3.503 1.00 0.66 O ATOM 3397 CB GLU A 201 27.219 2.166 6.088 1.00 0.73 C ATOM 3398 CG GLU A 201 26.531 2.411 7.433 1.00 0.79 C ATOM 3399 CD GLU A 201 27.394 1.843 8.563 1.00 0.99 C ATOM 3400 OE1 GLU A 201 28.057 0.844 8.333 1.00 1.62 O ATOM 3401 OE2 GLU A 201 27.378 2.417 9.639 1.00 1.42 O ATOM 0 H GLU A 201 25.477 3.975 5.541 1.00 0.74 H new ATOM 0 HA GLU A 201 28.422 3.944 5.930 1.00 0.72 H new ATOM 0 HB2 GLU A 201 26.568 1.584 5.436 1.00 0.73 H new ATOM 0 HB3 GLU A 201 28.128 1.583 6.234 1.00 0.73 H new ATOM 0 HG2 GLU A 201 26.374 3.479 7.583 1.00 0.79 H new ATOM 0 HG3 GLU A 201 25.548 1.940 7.441 1.00 0.79 H new ATOM 3408 N TYR A 202 27.926 4.355 3.197 1.00 0.76 N ATOM 3409 CA TYR A 202 28.235 4.222 1.746 1.00 0.82 C ATOM 3410 C TYR A 202 29.704 3.831 1.580 1.00 0.89 C ATOM 3411 O TYR A 202 30.047 2.988 0.776 1.00 0.93 O ATOM 3412 CB TYR A 202 27.978 5.557 1.046 1.00 0.90 C ATOM 3413 CG TYR A 202 26.535 5.957 1.244 1.00 0.83 C ATOM 3414 CD1 TYR A 202 25.526 5.330 0.501 1.00 1.45 C ATOM 3415 CD2 TYR A 202 26.205 6.955 2.170 1.00 1.47 C ATOM 3416 CE1 TYR A 202 24.187 5.701 0.685 1.00 1.51 C ATOM 3417 CE2 TYR A 202 24.867 7.326 2.355 1.00 1.53 C ATOM 3418 CZ TYR A 202 23.857 6.699 1.612 1.00 1.01 C ATOM 3419 OH TYR A 202 22.539 7.063 1.794 1.00 1.21 O ATOM 0 H TYR A 202 27.768 5.309 3.521 1.00 0.76 H new ATOM 0 HA TYR A 202 27.600 3.455 1.303 1.00 0.82 H new ATOM 0 HB2 TYR A 202 28.638 6.325 1.449 1.00 0.90 H new ATOM 0 HB3 TYR A 202 28.201 5.471 -0.018 1.00 0.90 H new ATOM 0 HD1 TYR A 202 25.780 4.561 -0.213 1.00 1.45 H new ATOM 0 HD2 TYR A 202 26.983 7.439 2.742 1.00 1.47 H new ATOM 0 HE1 TYR A 202 23.409 5.218 0.112 1.00 1.51 H new ATOM 0 HE2 TYR A 202 24.614 8.095 3.070 1.00 1.53 H new ATOM 0 HH TYR A 202 22.485 7.767 2.473 1.00 1.21 H new ATOM 3429 N ARG A 203 30.574 4.437 2.340 1.00 1.00 N ATOM 3430 CA ARG A 203 32.021 4.101 2.231 1.00 1.10 C ATOM 3431 C ARG A 203 32.265 2.730 2.866 1.00 1.04 C ATOM 3432 O ARG A 203 33.334 2.164 2.757 1.00 1.10 O ATOM 3433 CB ARG A 203 32.852 5.156 2.967 1.00 1.25 C ATOM 3434 CG ARG A 203 32.148 6.516 2.903 1.00 1.31 C ATOM 3435 CD ARG A 203 33.135 7.578 2.419 1.00 2.22 C ATOM 3436 NE ARG A 203 33.076 8.761 3.322 1.00 2.63 N ATOM 3437 CZ ARG A 203 34.140 9.494 3.508 1.00 3.35 C ATOM 3438 NH1 ARG A 203 35.306 8.925 3.645 1.00 3.82 N ATOM 3439 NH2 ARG A 203 34.037 10.794 3.557 1.00 4.07 N ATOM 0 H ARG A 203 30.345 5.151 3.032 1.00 1.00 H new ATOM 0 HA ARG A 203 32.313 4.081 1.181 1.00 1.10 H new ATOM 0 HB2 ARG A 203 32.994 4.859 4.006 1.00 1.25 H new ATOM 0 HB3 ARG A 203 33.843 5.229 2.518 1.00 1.25 H new ATOM 0 HG2 ARG A 203 31.294 6.464 2.228 1.00 1.31 H new ATOM 0 HG3 ARG A 203 31.762 6.784 3.886 1.00 1.31 H new ATOM 0 HD2 ARG A 203 34.146 7.170 2.403 1.00 2.22 H new ATOM 0 HD3 ARG A 203 32.895 7.874 1.398 1.00 2.22 H new ATOM 0 HE ARG A 203 32.204 8.998 3.795 1.00 2.63 H new ATOM 0 HH11 ARG A 203 35.385 7.909 3.607 1.00 3.82 H new ATOM 0 HH12 ARG A 203 36.138 9.496 3.790 1.00 3.82 H new ATOM 0 HH21 ARG A 203 33.125 11.238 3.450 1.00 4.07 H new ATOM 0 HH22 ARG A 203 34.869 11.366 3.702 1.00 4.07 H new ATOM 3453 N GLN A 204 31.276 2.194 3.529 1.00 0.95 N ATOM 3454 CA GLN A 204 31.436 0.863 4.175 1.00 0.95 C ATOM 3455 C GLN A 204 30.978 -0.223 3.196 1.00 0.89 C ATOM 3456 O GLN A 204 31.585 -1.271 3.088 1.00 0.97 O ATOM 3457 CB GLN A 204 30.583 0.830 5.454 1.00 0.95 C ATOM 3458 CG GLN A 204 30.166 -0.606 5.791 1.00 0.96 C ATOM 3459 CD GLN A 204 31.369 -1.539 5.646 1.00 1.38 C ATOM 3460 OE1 GLN A 204 32.500 -1.118 5.785 1.00 1.97 O ATOM 3461 NE2 GLN A 204 31.171 -2.800 5.371 1.00 1.88 N ATOM 0 H GLN A 204 30.359 2.625 3.651 1.00 0.95 H new ATOM 0 HA GLN A 204 32.479 0.685 4.437 1.00 0.95 H new ATOM 0 HB2 GLN A 204 31.147 1.254 6.284 1.00 0.95 H new ATOM 0 HB3 GLN A 204 29.696 1.450 5.322 1.00 0.95 H new ATOM 0 HG2 GLN A 204 29.778 -0.653 6.808 1.00 0.96 H new ATOM 0 HG3 GLN A 204 29.363 -0.927 5.128 1.00 0.96 H new ATOM 0 HE21 GLN A 204 30.221 -3.154 5.254 1.00 1.88 H new ATOM 0 HE22 GLN A 204 31.966 -3.432 5.273 1.00 1.88 H new ATOM 3470 N LEU A 205 29.914 0.019 2.483 1.00 0.79 N ATOM 3471 CA LEU A 205 29.421 -0.998 1.513 1.00 0.79 C ATOM 3472 C LEU A 205 30.270 -0.937 0.244 1.00 0.86 C ATOM 3473 O LEU A 205 30.370 -1.894 -0.497 1.00 0.93 O ATOM 3474 CB LEU A 205 27.960 -0.706 1.168 1.00 0.73 C ATOM 3475 CG LEU A 205 27.129 -0.708 2.450 1.00 0.73 C ATOM 3476 CD1 LEU A 205 26.316 0.584 2.538 1.00 0.96 C ATOM 3477 CD2 LEU A 205 26.180 -1.905 2.440 1.00 0.72 C ATOM 0 H LEU A 205 29.364 0.877 2.530 1.00 0.79 H new ATOM 0 HA LEU A 205 29.496 -1.992 1.953 1.00 0.79 H new ATOM 0 HB2 LEU A 205 27.878 0.260 0.669 1.00 0.73 H new ATOM 0 HB3 LEU A 205 27.581 -1.456 0.474 1.00 0.73 H new ATOM 0 HG LEU A 205 27.794 -0.776 3.311 1.00 0.73 H new ATOM 0 HD11 LEU A 205 25.724 0.580 3.453 1.00 0.96 H new ATOM 0 HD12 LEU A 205 26.992 1.439 2.547 1.00 0.96 H new ATOM 0 HD13 LEU A 205 25.652 0.655 1.677 1.00 0.96 H new ATOM 0 HD21 LEU A 205 25.587 -1.907 3.355 1.00 0.72 H new ATOM 0 HD22 LEU A 205 25.517 -1.836 1.578 1.00 0.72 H new ATOM 0 HD23 LEU A 205 26.758 -2.827 2.381 1.00 0.72 H new ATOM 3489 N PHE A 206 30.882 0.185 -0.010 1.00 0.92 N ATOM 3490 CA PHE A 206 31.727 0.314 -1.230 1.00 1.03 C ATOM 3491 C PHE A 206 33.163 -0.098 -0.898 1.00 1.09 C ATOM 3492 O PHE A 206 33.692 0.244 0.141 1.00 1.38 O ATOM 3493 CB PHE A 206 31.714 1.769 -1.712 1.00 1.16 C ATOM 3494 CG PHE A 206 30.307 2.188 -2.092 1.00 0.94 C ATOM 3495 CD1 PHE A 206 29.237 1.285 -1.979 1.00 1.32 C ATOM 3496 CD2 PHE A 206 30.074 3.489 -2.558 1.00 1.55 C ATOM 3497 CE1 PHE A 206 27.942 1.686 -2.332 1.00 1.25 C ATOM 3498 CE2 PHE A 206 28.778 3.889 -2.910 1.00 1.49 C ATOM 3499 CZ PHE A 206 27.712 2.987 -2.797 1.00 0.73 C ATOM 0 H PHE A 206 30.834 1.019 0.575 1.00 0.92 H new ATOM 0 HA PHE A 206 31.333 -0.331 -2.015 1.00 1.03 H new ATOM 0 HB2 PHE A 206 32.095 2.422 -0.927 1.00 1.16 H new ATOM 0 HB3 PHE A 206 32.378 1.881 -2.570 1.00 1.16 H new ATOM 0 HD1 PHE A 206 29.413 0.282 -1.620 1.00 1.32 H new ATOM 0 HD2 PHE A 206 30.895 4.185 -2.646 1.00 1.55 H new ATOM 0 HE1 PHE A 206 27.120 0.991 -2.245 1.00 1.25 H new ATOM 0 HE2 PHE A 206 28.601 4.892 -3.268 1.00 1.49 H new ATOM 0 HZ PHE A 206 26.713 3.295 -3.068 1.00 0.73 H new ATOM 3509 N THR A 207 33.799 -0.831 -1.771 1.00 1.16 N ATOM 3510 CA THR A 207 35.200 -1.263 -1.501 1.00 1.26 C ATOM 3511 C THR A 207 36.168 -0.146 -1.893 1.00 1.41 C ATOM 3512 O THR A 207 37.272 -0.064 -1.391 1.00 2.07 O ATOM 3513 CB THR A 207 35.513 -2.516 -2.320 1.00 1.30 C ATOM 3514 OG1 THR A 207 36.800 -3.002 -1.966 1.00 1.39 O ATOM 3515 CG2 THR A 207 35.486 -2.170 -3.807 1.00 1.39 C ATOM 0 H THR A 207 33.410 -1.149 -2.658 1.00 1.16 H new ATOM 0 HA THR A 207 35.311 -1.482 -0.439 1.00 1.26 H new ATOM 0 HB THR A 207 34.767 -3.284 -2.114 1.00 1.30 H new ATOM 0 HG1 THR A 207 37.001 -3.806 -2.489 1.00 1.39 H new ATOM 0 HG21 THR A 207 35.709 -3.062 -4.392 1.00 1.39 H new ATOM 0 HG22 THR A 207 34.498 -1.797 -4.076 1.00 1.39 H new ATOM 0 HG23 THR A 207 36.232 -1.403 -4.016 1.00 1.39 H new ATOM 3523 N LYS A 208 35.767 0.715 -2.787 1.00 1.44 N ATOM 3524 CA LYS A 208 36.669 1.824 -3.209 1.00 1.61 C ATOM 3525 C LYS A 208 35.927 2.747 -4.174 1.00 1.59 C ATOM 3526 O LYS A 208 36.395 3.033 -5.257 1.00 2.30 O ATOM 3527 CB LYS A 208 37.893 1.241 -3.912 1.00 1.71 C ATOM 3528 CG LYS A 208 39.122 1.395 -3.013 1.00 2.16 C ATOM 3529 CD LYS A 208 40.080 2.417 -3.627 1.00 2.44 C ATOM 3530 CE LYS A 208 41.453 1.773 -3.831 1.00 3.03 C ATOM 3531 NZ LYS A 208 42.174 1.716 -2.527 1.00 3.56 N ATOM 0 H LYS A 208 34.855 0.699 -3.243 1.00 1.44 H new ATOM 0 HA LYS A 208 36.983 2.390 -2.332 1.00 1.61 H new ATOM 0 HB2 LYS A 208 37.727 0.188 -4.141 1.00 1.71 H new ATOM 0 HB3 LYS A 208 38.058 1.751 -4.861 1.00 1.71 H new ATOM 0 HG2 LYS A 208 38.819 1.718 -2.017 1.00 2.16 H new ATOM 0 HG3 LYS A 208 39.624 0.434 -2.898 1.00 2.16 H new ATOM 0 HD2 LYS A 208 39.688 2.772 -4.580 1.00 2.44 H new ATOM 0 HD3 LYS A 208 40.168 3.286 -2.975 1.00 2.44 H new ATOM 0 HE2 LYS A 208 41.339 0.769 -4.240 1.00 3.03 H new ATOM 0 HE3 LYS A 208 42.032 2.347 -4.554 1.00 3.03 H new ATOM 0 HZ1 LYS A 208 43.107 1.278 -2.665 1.00 3.56 H new ATOM 0 HZ2 LYS A 208 42.295 2.680 -2.155 1.00 3.56 H new ATOM 0 HZ3 LYS A 208 41.623 1.150 -1.850 1.00 3.56 H new ATOM 3545 N ASN A 209 34.770 3.212 -3.788 1.00 1.38 N ATOM 3546 CA ASN A 209 33.985 4.117 -4.676 1.00 1.36 C ATOM 3547 C ASN A 209 33.537 3.366 -5.936 1.00 1.21 C ATOM 3548 O ASN A 209 32.947 3.941 -6.828 1.00 1.26 O ATOM 3549 CB ASN A 209 34.842 5.323 -5.074 1.00 1.56 C ATOM 3550 CG ASN A 209 34.684 6.428 -4.027 1.00 2.14 C ATOM 3551 OD1 ASN A 209 33.947 7.372 -4.230 1.00 2.66 O ATOM 3552 ND2 ASN A 209 35.350 6.348 -2.908 1.00 2.76 N ATOM 0 H ASN A 209 34.332 3.003 -2.891 1.00 1.38 H new ATOM 0 HA ASN A 209 33.103 4.461 -4.136 1.00 1.36 H new ATOM 0 HB2 ASN A 209 35.889 5.029 -5.153 1.00 1.56 H new ATOM 0 HB3 ASN A 209 34.539 5.690 -6.055 1.00 1.56 H new ATOM 0 HD21 ASN A 209 35.252 7.078 -2.203 1.00 2.76 H new ATOM 0 HD22 ASN A 209 35.969 5.555 -2.738 1.00 2.76 H new ATOM 3559 N GLN A 210 33.803 2.088 -6.022 1.00 1.11 N ATOM 3560 CA GLN A 210 33.376 1.326 -7.230 1.00 1.08 C ATOM 3561 C GLN A 210 31.857 1.430 -7.366 1.00 1.00 C ATOM 3562 O GLN A 210 31.339 1.873 -8.373 1.00 0.99 O ATOM 3563 CB GLN A 210 33.778 -0.142 -7.078 1.00 1.16 C ATOM 3564 CG GLN A 210 33.104 -0.972 -8.172 1.00 1.68 C ATOM 3565 CD GLN A 210 33.377 -0.335 -9.535 1.00 2.49 C ATOM 3566 OE1 GLN A 210 32.821 0.697 -9.858 1.00 3.32 O ATOM 3567 NE2 GLN A 210 34.215 -0.908 -10.355 1.00 2.80 N ATOM 0 H GLN A 210 34.294 1.544 -5.313 1.00 1.11 H new ATOM 0 HA GLN A 210 33.857 1.737 -8.118 1.00 1.08 H new ATOM 0 HB2 GLN A 210 34.861 -0.242 -7.146 1.00 1.16 H new ATOM 0 HB3 GLN A 210 33.485 -0.510 -6.095 1.00 1.16 H new ATOM 0 HG2 GLN A 210 33.483 -1.994 -8.154 1.00 1.68 H new ATOM 0 HG3 GLN A 210 32.030 -1.027 -7.993 1.00 1.68 H new ATOM 0 HE21 GLN A 210 34.682 -1.774 -10.085 1.00 2.80 H new ATOM 0 HE22 GLN A 210 34.403 -0.490 -11.266 1.00 2.80 H new ATOM 3576 N PHE A 211 31.140 1.031 -6.354 1.00 1.13 N ATOM 3577 CA PHE A 211 29.657 1.113 -6.419 1.00 1.19 C ATOM 3578 C PHE A 211 29.254 2.580 -6.534 1.00 1.08 C ATOM 3579 O PHE A 211 28.264 2.916 -7.151 1.00 1.06 O ATOM 3580 CB PHE A 211 29.059 0.501 -5.153 1.00 1.45 C ATOM 3581 CG PHE A 211 29.595 -0.900 -4.991 1.00 1.66 C ATOM 3582 CD1 PHE A 211 30.793 -1.115 -4.298 1.00 2.25 C ATOM 3583 CD2 PHE A 211 28.901 -1.983 -5.545 1.00 2.00 C ATOM 3584 CE1 PHE A 211 31.297 -2.414 -4.158 1.00 2.43 C ATOM 3585 CE2 PHE A 211 29.405 -3.282 -5.406 1.00 2.18 C ATOM 3586 CZ PHE A 211 30.604 -3.498 -4.713 1.00 2.08 C ATOM 0 H PHE A 211 31.517 0.652 -5.485 1.00 1.13 H new ATOM 0 HA PHE A 211 29.286 0.564 -7.284 1.00 1.19 H new ATOM 0 HB2 PHE A 211 29.316 1.106 -4.284 1.00 1.45 H new ATOM 0 HB3 PHE A 211 27.971 0.484 -5.220 1.00 1.45 H new ATOM 0 HD1 PHE A 211 31.328 -0.279 -3.872 1.00 2.25 H new ATOM 0 HD2 PHE A 211 27.977 -1.816 -6.079 1.00 2.00 H new ATOM 0 HE1 PHE A 211 32.220 -2.580 -3.622 1.00 2.43 H new ATOM 0 HE2 PHE A 211 28.870 -4.117 -5.833 1.00 2.18 H new ATOM 0 HZ PHE A 211 30.994 -4.500 -4.607 1.00 2.08 H new ATOM 3596 N HIS A 212 30.023 3.461 -5.951 1.00 1.11 N ATOM 3597 CA HIS A 212 29.688 4.906 -6.041 1.00 1.15 C ATOM 3598 C HIS A 212 29.562 5.269 -7.518 1.00 1.03 C ATOM 3599 O HIS A 212 28.646 5.953 -7.929 1.00 1.09 O ATOM 3600 CB HIS A 212 30.805 5.734 -5.402 1.00 1.31 C ATOM 3601 CG HIS A 212 30.280 7.098 -5.049 1.00 1.29 C ATOM 3602 ND1 HIS A 212 30.632 8.232 -5.764 1.00 1.73 N ATOM 3603 CD2 HIS A 212 29.433 7.527 -4.059 1.00 1.32 C ATOM 3604 CE1 HIS A 212 30.003 9.279 -5.199 1.00 1.71 C ATOM 3605 NE2 HIS A 212 29.259 8.905 -4.155 1.00 1.37 N ATOM 0 H HIS A 212 30.865 3.241 -5.419 1.00 1.11 H new ATOM 0 HA HIS A 212 28.755 5.113 -5.517 1.00 1.15 H new ATOM 0 HB2 HIS A 212 31.177 5.233 -4.508 1.00 1.31 H new ATOM 0 HB3 HIS A 212 31.645 5.823 -6.091 1.00 1.31 H new ATOM 0 HD2 HIS A 212 28.971 6.892 -3.317 1.00 1.32 H new ATOM 0 HE1 HIS A 212 30.089 10.298 -5.547 1.00 1.71 H new ATOM 0 HE2 HIS A 212 28.687 9.501 -3.557 1.00 1.37 H new ATOM 3613 N GLN A 213 30.477 4.798 -8.320 1.00 0.96 N ATOM 3614 CA GLN A 213 30.419 5.094 -9.775 1.00 1.01 C ATOM 3615 C GLN A 213 29.148 4.465 -10.337 1.00 0.94 C ATOM 3616 O GLN A 213 28.528 4.986 -11.242 1.00 1.05 O ATOM 3617 CB GLN A 213 31.644 4.491 -10.464 1.00 1.08 C ATOM 3618 CG GLN A 213 32.905 5.178 -9.940 1.00 1.20 C ATOM 3619 CD GLN A 213 34.104 4.242 -10.102 1.00 1.24 C ATOM 3620 OE1 GLN A 213 34.456 3.525 -9.187 1.00 1.65 O ATOM 3621 NE2 GLN A 213 34.750 4.217 -11.236 1.00 1.61 N ATOM 0 H GLN A 213 31.264 4.219 -8.027 1.00 0.96 H new ATOM 0 HA GLN A 213 30.412 6.170 -9.946 1.00 1.01 H new ATOM 0 HB2 GLN A 213 31.693 3.419 -10.272 1.00 1.08 H new ATOM 0 HB3 GLN A 213 31.568 4.618 -11.544 1.00 1.08 H new ATOM 0 HG2 GLN A 213 33.079 6.106 -10.485 1.00 1.20 H new ATOM 0 HG3 GLN A 213 32.777 5.444 -8.891 1.00 1.20 H new ATOM 0 HE21 GLN A 213 34.455 4.819 -12.005 1.00 1.61 H new ATOM 0 HE22 GLN A 213 35.550 3.595 -11.354 1.00 1.61 H new ATOM 3630 N ALA A 214 28.753 3.346 -9.794 1.00 0.85 N ATOM 3631 CA ALA A 214 27.518 2.678 -10.282 1.00 0.89 C ATOM 3632 C ALA A 214 26.317 3.554 -9.929 1.00 0.86 C ATOM 3633 O ALA A 214 25.305 3.544 -10.602 1.00 0.99 O ATOM 3634 CB ALA A 214 27.374 1.314 -9.604 1.00 0.90 C ATOM 0 H ALA A 214 29.234 2.867 -9.033 1.00 0.85 H new ATOM 0 HA ALA A 214 27.571 2.537 -11.361 1.00 0.89 H new ATOM 0 HB1 ALA A 214 26.468 0.824 -9.962 1.00 0.90 H new ATOM 0 HB2 ALA A 214 28.240 0.696 -9.842 1.00 0.90 H new ATOM 0 HB3 ALA A 214 27.311 1.449 -8.524 1.00 0.90 H new ATOM 3640 N MET A 215 26.424 4.317 -8.874 1.00 0.81 N ATOM 3641 CA MET A 215 25.296 5.199 -8.472 1.00 0.85 C ATOM 3642 C MET A 215 25.180 6.347 -9.474 1.00 0.96 C ATOM 3643 O MET A 215 24.149 6.552 -10.085 1.00 1.03 O ATOM 3644 CB MET A 215 25.558 5.765 -7.075 1.00 0.90 C ATOM 3645 CG MET A 215 25.142 4.739 -6.020 1.00 1.16 C ATOM 3646 SD MET A 215 25.145 5.516 -4.386 1.00 1.25 S ATOM 3647 CE MET A 215 23.586 6.417 -4.562 1.00 0.86 C ATOM 0 H MET A 215 27.247 4.366 -8.273 1.00 0.81 H new ATOM 0 HA MET A 215 24.369 4.626 -8.458 1.00 0.85 H new ATOM 0 HB2 MET A 215 26.614 6.009 -6.963 1.00 0.90 H new ATOM 0 HB3 MET A 215 25.000 6.691 -6.936 1.00 0.90 H new ATOM 0 HG2 MET A 215 24.149 4.350 -6.247 1.00 1.16 H new ATOM 0 HG3 MET A 215 25.827 3.891 -6.032 1.00 1.16 H new ATOM 0 HE1 MET A 215 23.169 6.618 -3.575 1.00 0.86 H new ATOM 0 HE2 MET A 215 23.767 7.360 -5.078 1.00 0.86 H new ATOM 0 HE3 MET A 215 22.882 5.817 -5.138 1.00 0.86 H new ATOM 3657 N LYS A 216 26.233 7.098 -9.652 1.00 1.04 N ATOM 3658 CA LYS A 216 26.185 8.230 -10.617 1.00 1.21 C ATOM 3659 C LYS A 216 25.733 7.703 -11.979 1.00 1.27 C ATOM 3660 O LYS A 216 24.984 8.346 -12.688 1.00 1.39 O ATOM 3661 CB LYS A 216 27.577 8.853 -10.745 1.00 1.35 C ATOM 3662 CG LYS A 216 27.478 10.174 -11.510 1.00 1.77 C ATOM 3663 CD LYS A 216 28.498 11.166 -10.947 1.00 1.85 C ATOM 3664 CE LYS A 216 27.946 12.588 -11.060 1.00 2.37 C ATOM 3665 NZ LYS A 216 28.664 13.476 -10.102 1.00 2.84 N ATOM 0 H LYS A 216 27.124 6.975 -9.170 1.00 1.04 H new ATOM 0 HA LYS A 216 25.485 8.987 -10.264 1.00 1.21 H new ATOM 0 HB2 LYS A 216 28.002 9.024 -9.756 1.00 1.35 H new ATOM 0 HB3 LYS A 216 28.247 8.169 -11.266 1.00 1.35 H new ATOM 0 HG2 LYS A 216 27.664 10.007 -12.571 1.00 1.77 H new ATOM 0 HG3 LYS A 216 26.471 10.582 -11.423 1.00 1.77 H new ATOM 0 HD2 LYS A 216 28.713 10.930 -9.905 1.00 1.85 H new ATOM 0 HD3 LYS A 216 29.438 11.085 -11.492 1.00 1.85 H new ATOM 0 HE2 LYS A 216 28.069 12.958 -12.078 1.00 2.37 H new ATOM 0 HE3 LYS A 216 26.877 12.593 -10.846 1.00 2.37 H new ATOM 0 HZ1 LYS A 216 28.290 14.443 -10.178 1.00 2.84 H new ATOM 0 HZ2 LYS A 216 28.525 13.126 -9.133 1.00 2.84 H new ATOM 0 HZ3 LYS A 216 29.680 13.479 -10.326 1.00 2.84 H new ATOM 3679 N HIS A 217 26.182 6.534 -12.348 1.00 1.24 N ATOM 3680 CA HIS A 217 25.778 5.960 -13.663 1.00 1.36 C ATOM 3681 C HIS A 217 24.258 5.783 -13.697 1.00 1.40 C ATOM 3682 O HIS A 217 23.625 5.958 -14.720 1.00 1.59 O ATOM 3683 CB HIS A 217 26.454 4.601 -13.857 1.00 1.36 C ATOM 3684 CG HIS A 217 27.724 4.778 -14.643 1.00 1.43 C ATOM 3685 ND1 HIS A 217 29.011 5.057 -14.255 1.00 1.51 N flip ATOM 3686 CD2 HIS A 217 27.761 4.670 -16.025 1.00 2.22 C flip ATOM 3687 CE1 HIS A 217 29.835 5.121 -15.375 1.00 1.95 C flip ATOM 3688 NE2 HIS A 217 29.031 4.880 -16.414 1.00 2.64 N flip ATOM 0 H HIS A 217 26.811 5.952 -11.795 1.00 1.24 H new ATOM 0 HA HIS A 217 26.084 6.635 -14.463 1.00 1.36 H new ATOM 0 HB2 HIS A 217 26.673 4.151 -12.889 1.00 1.36 H new ATOM 0 HB3 HIS A 217 25.782 3.921 -14.380 1.00 1.36 H new ATOM 0 HD1 HIS A 217 29.317 5.196 -13.292 1.00 1.51 H new ATOM 0 HD2 HIS A 217 26.923 4.456 -16.671 1.00 2.22 H new ATOM 0 HE1 HIS A 217 30.896 5.322 -15.399 1.00 1.95 H new ATOM 3696 N ALA A 218 23.667 5.436 -12.585 1.00 1.26 N ATOM 3697 CA ALA A 218 22.188 5.247 -12.554 1.00 1.35 C ATOM 3698 C ALA A 218 21.511 6.575 -12.212 1.00 1.39 C ATOM 3699 O ALA A 218 20.418 6.608 -11.682 1.00 1.40 O ATOM 3700 CB ALA A 218 21.828 4.203 -11.496 1.00 1.27 C ATOM 0 H ALA A 218 24.144 5.275 -11.698 1.00 1.26 H new ATOM 0 HA ALA A 218 21.845 4.906 -13.531 1.00 1.35 H new ATOM 0 HB1 ALA A 218 20.747 4.065 -11.474 1.00 1.27 H new ATOM 0 HB2 ALA A 218 22.309 3.256 -11.741 1.00 1.27 H new ATOM 0 HB3 ALA A 218 22.171 4.542 -10.519 1.00 1.27 H new ATOM 3706 N LYS A 219 22.150 7.670 -12.515 1.00 1.48 N ATOM 3707 CA LYS A 219 21.545 8.998 -12.211 1.00 1.60 C ATOM 3708 C LYS A 219 20.936 8.972 -10.807 1.00 1.41 C ATOM 3709 O LYS A 219 19.968 9.651 -10.527 1.00 1.35 O ATOM 3710 CB LYS A 219 20.448 9.317 -13.236 1.00 1.86 C ATOM 3711 CG LYS A 219 20.704 8.539 -14.531 1.00 2.07 C ATOM 3712 CD LYS A 219 20.181 9.341 -15.724 1.00 2.16 C ATOM 3713 CE LYS A 219 21.276 9.447 -16.788 1.00 2.54 C ATOM 3714 NZ LYS A 219 20.891 8.642 -17.980 1.00 2.94 N ATOM 0 H LYS A 219 23.067 7.703 -12.961 1.00 1.48 H new ATOM 0 HA LYS A 219 22.319 9.764 -12.261 1.00 1.60 H new ATOM 0 HB2 LYS A 219 19.471 9.054 -12.830 1.00 1.86 H new ATOM 0 HB3 LYS A 219 20.430 10.387 -13.442 1.00 1.86 H new ATOM 0 HG2 LYS A 219 21.771 8.349 -14.648 1.00 2.07 H new ATOM 0 HG3 LYS A 219 20.210 7.568 -14.488 1.00 2.07 H new ATOM 0 HD2 LYS A 219 19.298 8.857 -16.142 1.00 2.16 H new ATOM 0 HD3 LYS A 219 19.876 10.336 -15.401 1.00 2.16 H new ATOM 0 HE2 LYS A 219 21.422 10.489 -17.072 1.00 2.54 H new ATOM 0 HE3 LYS A 219 22.224 9.090 -16.386 1.00 2.54 H new ATOM 0 HZ1 LYS A 219 21.635 8.714 -18.703 1.00 2.94 H new ATOM 0 HZ2 LYS A 219 20.773 7.647 -17.703 1.00 2.94 H new ATOM 0 HZ3 LYS A 219 19.996 9.002 -18.368 1.00 2.94 H new ATOM 3728 N VAL A 220 21.495 8.193 -9.922 1.00 1.37 N ATOM 3729 CA VAL A 220 20.949 8.121 -8.538 1.00 1.23 C ATOM 3730 C VAL A 220 21.779 9.013 -7.612 1.00 1.37 C ATOM 3731 O VAL A 220 22.293 8.569 -6.605 1.00 1.90 O ATOM 3732 CB VAL A 220 21.014 6.676 -8.045 1.00 1.16 C ATOM 3733 CG1 VAL A 220 22.471 6.290 -7.793 1.00 1.29 C ATOM 3734 CG2 VAL A 220 20.220 6.543 -6.744 1.00 1.76 C ATOM 0 H VAL A 220 22.308 7.602 -10.098 1.00 1.37 H new ATOM 0 HA VAL A 220 19.914 8.463 -8.536 1.00 1.23 H new ATOM 0 HB VAL A 220 20.587 6.016 -8.800 1.00 1.16 H new ATOM 0 HG11 VAL A 220 22.519 5.259 -7.441 1.00 1.29 H new ATOM 0 HG12 VAL A 220 23.038 6.384 -8.719 1.00 1.29 H new ATOM 0 HG13 VAL A 220 22.897 6.951 -7.038 1.00 1.29 H new ATOM 0 HG21 VAL A 220 20.267 5.512 -6.393 1.00 1.76 H new ATOM 0 HG22 VAL A 220 20.646 7.203 -5.989 1.00 1.76 H new ATOM 0 HG23 VAL A 220 19.181 6.819 -6.922 1.00 1.76 H new ATOM 3744 N ASN A 221 21.914 10.268 -7.943 1.00 1.43 N ATOM 3745 CA ASN A 221 22.712 11.184 -7.079 1.00 1.62 C ATOM 3746 C ASN A 221 22.169 11.139 -5.649 1.00 1.58 C ATOM 3747 O ASN A 221 22.823 10.665 -4.741 1.00 2.10 O ATOM 3748 CB ASN A 221 22.612 12.612 -7.618 1.00 1.91 C ATOM 3749 CG ASN A 221 23.833 13.415 -7.167 1.00 2.10 C ATOM 3750 OD1 ASN A 221 23.816 14.031 -6.119 1.00 2.31 O ATOM 3751 ND2 ASN A 221 24.899 13.435 -7.919 1.00 2.75 N ATOM 0 H ASN A 221 21.507 10.698 -8.773 1.00 1.43 H new ATOM 0 HA ASN A 221 23.755 10.868 -7.082 1.00 1.62 H new ATOM 0 HB2 ASN A 221 22.555 12.598 -8.706 1.00 1.91 H new ATOM 0 HB3 ASN A 221 21.699 13.085 -7.257 1.00 1.91 H new ATOM 0 HD21 ASN A 221 25.719 13.968 -7.628 1.00 2.75 H new ATOM 0 HD22 ASN A 221 24.913 12.918 -8.798 1.00 2.75 H new ATOM 3758 N ASN A 222 20.978 11.628 -5.440 1.00 1.55 N ATOM 3759 CA ASN A 222 20.396 11.613 -4.068 1.00 1.50 C ATOM 3760 C ASN A 222 19.374 10.480 -3.962 1.00 1.28 C ATOM 3761 O ASN A 222 18.330 10.515 -4.581 1.00 1.84 O ATOM 3762 CB ASN A 222 19.708 12.951 -3.791 1.00 1.61 C ATOM 3763 CG ASN A 222 20.599 13.807 -2.889 1.00 2.30 C ATOM 3764 OD1 ASN A 222 20.918 13.416 -1.784 1.00 2.90 O ATOM 3765 ND2 ASN A 222 21.018 14.966 -3.316 1.00 2.87 N ATOM 0 H ASN A 222 20.382 12.037 -6.160 1.00 1.55 H new ATOM 0 HA ASN A 222 21.189 11.456 -3.337 1.00 1.50 H new ATOM 0 HB2 ASN A 222 19.513 13.473 -4.728 1.00 1.61 H new ATOM 0 HB3 ASN A 222 18.743 12.783 -3.313 1.00 1.61 H new ATOM 0 HD21 ASN A 222 21.613 15.544 -2.722 1.00 2.87 H new ATOM 0 HD22 ASN A 222 20.750 15.295 -4.244 1.00 2.87 H new ATOM 3772 N LEU A 223 19.666 9.473 -3.183 1.00 0.76 N ATOM 3773 CA LEU A 223 18.706 8.343 -3.044 1.00 0.72 C ATOM 3774 C LEU A 223 17.656 8.686 -1.986 1.00 1.05 C ATOM 3775 O LEU A 223 16.760 7.911 -1.718 1.00 1.63 O ATOM 3776 CB LEU A 223 19.455 7.077 -2.624 1.00 0.84 C ATOM 3777 CG LEU A 223 20.146 7.313 -1.280 1.00 0.97 C ATOM 3778 CD1 LEU A 223 19.704 6.240 -0.284 1.00 1.72 C ATOM 3779 CD2 LEU A 223 21.663 7.240 -1.468 1.00 1.30 C ATOM 0 H LEU A 223 20.525 9.385 -2.639 1.00 0.76 H new ATOM 0 HA LEU A 223 18.215 8.172 -4.002 1.00 0.72 H new ATOM 0 HB2 LEU A 223 18.761 6.240 -2.546 1.00 0.84 H new ATOM 0 HB3 LEU A 223 20.192 6.810 -3.381 1.00 0.84 H new ATOM 0 HG LEU A 223 19.873 8.297 -0.899 1.00 0.97 H new ATOM 0 HD11 LEU A 223 20.196 6.408 0.674 1.00 1.72 H new ATOM 0 HD12 LEU A 223 18.623 6.291 -0.150 1.00 1.72 H new ATOM 0 HD13 LEU A 223 19.977 5.256 -0.665 1.00 1.72 H new ATOM 0 HD21 LEU A 223 22.157 7.408 -0.511 1.00 1.30 H new ATOM 0 HD22 LEU A 223 21.935 6.256 -1.849 1.00 1.30 H new ATOM 0 HD23 LEU A 223 21.979 8.004 -2.178 1.00 1.30 H new ATOM 3791 N SER A 224 17.756 9.840 -1.383 1.00 1.41 N ATOM 3792 CA SER A 224 16.755 10.220 -0.347 1.00 1.95 C ATOM 3793 C SER A 224 15.354 10.065 -0.938 1.00 1.42 C ATOM 3794 O SER A 224 14.448 9.565 -0.302 1.00 1.94 O ATOM 3795 CB SER A 224 16.975 11.675 0.071 1.00 2.78 C ATOM 3796 OG SER A 224 17.171 11.735 1.478 1.00 3.52 O ATOM 0 H SER A 224 18.484 10.532 -1.562 1.00 1.41 H new ATOM 0 HA SER A 224 16.864 9.578 0.527 1.00 1.95 H new ATOM 0 HB2 SER A 224 17.841 12.087 -0.446 1.00 2.78 H new ATOM 0 HB3 SER A 224 16.115 12.281 -0.214 1.00 2.78 H new ATOM 0 HG SER A 224 17.314 12.666 1.749 1.00 3.52 H new ATOM 3802 N THR A 225 15.178 10.488 -2.158 1.00 0.91 N ATOM 3803 CA THR A 225 13.844 10.368 -2.812 1.00 1.27 C ATOM 3804 C THR A 225 13.709 8.966 -3.405 1.00 1.08 C ATOM 3805 O THR A 225 12.624 8.510 -3.705 1.00 1.29 O ATOM 3806 CB THR A 225 13.731 11.404 -3.930 1.00 1.69 C ATOM 3807 OG1 THR A 225 12.672 11.042 -4.805 1.00 1.68 O ATOM 3808 CG2 THR A 225 15.045 11.452 -4.706 1.00 1.92 C ATOM 0 H THR A 225 15.904 10.914 -2.734 1.00 0.91 H new ATOM 0 HA THR A 225 13.055 10.539 -2.079 1.00 1.27 H new ATOM 0 HB THR A 225 13.525 12.385 -3.502 1.00 1.69 H new ATOM 0 HG1 THR A 225 12.598 11.707 -5.521 1.00 1.68 H new ATOM 0 HG21 THR A 225 14.969 12.190 -5.505 1.00 1.92 H new ATOM 0 HG22 THR A 225 15.856 11.729 -4.032 1.00 1.92 H new ATOM 0 HG23 THR A 225 15.250 10.472 -5.136 1.00 1.92 H new ATOM 3816 N ILE A 226 14.813 8.286 -3.572 1.00 0.92 N ATOM 3817 CA ILE A 226 14.784 6.908 -4.143 1.00 0.81 C ATOM 3818 C ILE A 226 13.561 6.153 -3.601 1.00 0.79 C ATOM 3819 O ILE A 226 13.187 6.299 -2.455 1.00 0.88 O ATOM 3820 CB ILE A 226 16.090 6.193 -3.755 1.00 0.82 C ATOM 3821 CG1 ILE A 226 16.426 5.126 -4.802 1.00 0.93 C ATOM 3822 CG2 ILE A 226 15.968 5.549 -2.368 1.00 0.77 C ATOM 3823 CD1 ILE A 226 15.441 3.964 -4.696 1.00 0.76 C ATOM 0 H ILE A 226 15.743 8.631 -3.334 1.00 0.92 H new ATOM 0 HA ILE A 226 14.705 6.944 -5.230 1.00 0.81 H new ATOM 0 HB ILE A 226 16.892 6.930 -3.719 1.00 0.82 H new ATOM 0 HG12 ILE A 226 16.384 5.559 -5.801 1.00 0.93 H new ATOM 0 HG13 ILE A 226 17.444 4.766 -4.653 1.00 0.93 H new ATOM 0 HG21 ILE A 226 16.903 5.049 -2.115 1.00 0.77 H new ATOM 0 HG22 ILE A 226 15.756 6.319 -1.627 1.00 0.77 H new ATOM 0 HG23 ILE A 226 15.158 4.820 -2.375 1.00 0.77 H new ATOM 0 HD11 ILE A 226 15.686 3.210 -5.444 1.00 0.76 H new ATOM 0 HD12 ILE A 226 15.504 3.523 -3.701 1.00 0.76 H new ATOM 0 HD13 ILE A 226 14.428 4.329 -4.868 1.00 0.76 H new ATOM 3835 N THR A 227 12.930 5.355 -4.420 1.00 0.79 N ATOM 3836 CA THR A 227 11.731 4.603 -3.948 1.00 0.81 C ATOM 3837 C THR A 227 12.142 3.210 -3.481 1.00 0.75 C ATOM 3838 O THR A 227 11.664 2.723 -2.479 1.00 1.24 O ATOM 3839 CB THR A 227 10.718 4.477 -5.090 1.00 0.93 C ATOM 3840 OG1 THR A 227 11.278 3.692 -6.133 1.00 1.85 O ATOM 3841 CG2 THR A 227 10.371 5.867 -5.624 1.00 1.24 C ATOM 0 H THR A 227 13.192 5.191 -5.392 1.00 0.79 H new ATOM 0 HA THR A 227 11.278 5.143 -3.117 1.00 0.81 H new ATOM 0 HB THR A 227 9.812 3.997 -4.720 1.00 0.93 H new ATOM 0 HG1 THR A 227 10.630 3.609 -6.864 1.00 1.85 H new ATOM 0 HG21 THR A 227 9.650 5.775 -6.436 1.00 1.24 H new ATOM 0 HG22 THR A 227 9.940 6.467 -4.823 1.00 1.24 H new ATOM 0 HG23 THR A 227 11.275 6.351 -5.994 1.00 1.24 H new ATOM 3849 N TYR A 228 13.019 2.573 -4.206 1.00 0.74 N ATOM 3850 CA TYR A 228 13.481 1.204 -3.830 1.00 0.64 C ATOM 3851 C TYR A 228 14.022 0.524 -5.093 1.00 0.62 C ATOM 3852 O TYR A 228 14.820 -0.389 -5.033 1.00 0.69 O ATOM 3853 CB TYR A 228 12.302 0.403 -3.237 1.00 0.72 C ATOM 3854 CG TYR A 228 12.331 -1.033 -3.714 1.00 0.76 C ATOM 3855 CD1 TYR A 228 13.354 -1.894 -3.295 1.00 1.68 C ATOM 3856 CD2 TYR A 228 11.339 -1.496 -4.588 1.00 1.29 C ATOM 3857 CE1 TYR A 228 13.383 -3.219 -3.751 1.00 1.94 C ATOM 3858 CE2 TYR A 228 11.367 -2.821 -5.041 1.00 1.55 C ATOM 3859 CZ TYR A 228 12.389 -3.683 -4.624 1.00 1.49 C ATOM 3860 OH TYR A 228 12.418 -4.986 -5.076 1.00 1.95 O ATOM 0 H TYR A 228 13.442 2.947 -5.055 1.00 0.74 H new ATOM 0 HA TYR A 228 14.266 1.254 -3.076 1.00 0.64 H new ATOM 0 HB2 TYR A 228 12.350 0.430 -2.148 1.00 0.72 H new ATOM 0 HB3 TYR A 228 11.359 0.868 -3.526 1.00 0.72 H new ATOM 0 HD1 TYR A 228 14.119 -1.537 -2.622 1.00 1.68 H new ATOM 0 HD2 TYR A 228 10.552 -0.831 -4.913 1.00 1.29 H new ATOM 0 HE1 TYR A 228 14.172 -3.883 -3.430 1.00 1.94 H new ATOM 0 HE2 TYR A 228 10.600 -3.178 -5.712 1.00 1.55 H new ATOM 0 HH TYR A 228 12.810 -5.012 -5.974 1.00 1.95 H new ATOM 3870 N GLU A 229 13.583 0.972 -6.233 1.00 0.72 N ATOM 3871 CA GLU A 229 14.054 0.371 -7.512 1.00 0.76 C ATOM 3872 C GLU A 229 15.579 0.430 -7.569 1.00 0.66 C ATOM 3873 O GLU A 229 16.234 -0.533 -7.915 1.00 0.60 O ATOM 3874 CB GLU A 229 13.469 1.155 -8.690 1.00 0.95 C ATOM 3875 CG GLU A 229 12.903 0.181 -9.725 1.00 1.27 C ATOM 3876 CD GLU A 229 11.856 0.898 -10.580 1.00 1.49 C ATOM 3877 OE1 GLU A 229 11.838 2.118 -10.560 1.00 2.03 O ATOM 3878 OE2 GLU A 229 11.091 0.215 -11.241 1.00 1.83 O ATOM 0 H GLU A 229 12.913 1.734 -6.336 1.00 0.72 H new ATOM 0 HA GLU A 229 13.727 -0.667 -7.569 1.00 0.76 H new ATOM 0 HB2 GLU A 229 12.684 1.825 -8.340 1.00 0.95 H new ATOM 0 HB3 GLU A 229 14.240 1.777 -9.145 1.00 0.95 H new ATOM 0 HG2 GLU A 229 13.705 -0.201 -10.357 1.00 1.27 H new ATOM 0 HG3 GLU A 229 12.454 -0.677 -9.225 1.00 1.27 H new ATOM 3885 N GLN A 230 16.152 1.552 -7.230 1.00 0.69 N ATOM 3886 CA GLN A 230 17.635 1.662 -7.266 1.00 0.65 C ATOM 3887 C GLN A 230 18.233 0.666 -6.275 1.00 0.59 C ATOM 3888 O GLN A 230 19.015 -0.188 -6.636 1.00 0.65 O ATOM 3889 CB GLN A 230 18.055 3.081 -6.878 1.00 0.74 C ATOM 3890 CG GLN A 230 17.373 4.087 -7.806 1.00 1.34 C ATOM 3891 CD GLN A 230 17.902 3.908 -9.229 1.00 1.98 C ATOM 3892 OE1 GLN A 230 19.089 4.018 -9.467 1.00 2.55 O ATOM 3893 NE2 GLN A 230 17.066 3.632 -10.193 1.00 2.52 N ATOM 0 H GLN A 230 15.659 2.393 -6.931 1.00 0.69 H new ATOM 0 HA GLN A 230 17.994 1.444 -8.272 1.00 0.65 H new ATOM 0 HB2 GLN A 230 17.781 3.282 -5.842 1.00 0.74 H new ATOM 0 HB3 GLN A 230 19.138 3.183 -6.947 1.00 0.74 H new ATOM 0 HG2 GLN A 230 16.293 3.941 -7.787 1.00 1.34 H new ATOM 0 HG3 GLN A 230 17.563 5.103 -7.461 1.00 1.34 H new ATOM 0 HE21 GLN A 230 16.070 3.540 -9.993 1.00 2.52 H new ATOM 0 HE22 GLN A 230 17.409 3.509 -11.146 1.00 2.52 H new ATOM 3902 N VAL A 231 17.870 0.766 -5.028 1.00 0.61 N ATOM 3903 CA VAL A 231 18.421 -0.179 -4.023 1.00 0.59 C ATOM 3904 C VAL A 231 18.275 -1.615 -4.546 1.00 0.59 C ATOM 3905 O VAL A 231 19.023 -2.497 -4.179 1.00 0.65 O ATOM 3906 CB VAL A 231 17.677 0.008 -2.687 1.00 0.65 C ATOM 3907 CG1 VAL A 231 16.570 -1.040 -2.519 1.00 1.07 C ATOM 3908 CG2 VAL A 231 18.678 -0.125 -1.539 1.00 0.86 C ATOM 0 H VAL A 231 17.217 1.460 -4.663 1.00 0.61 H new ATOM 0 HA VAL A 231 19.480 0.019 -3.856 1.00 0.59 H new ATOM 0 HB VAL A 231 17.216 0.996 -2.679 1.00 0.65 H new ATOM 0 HG11 VAL A 231 16.062 -0.883 -1.567 1.00 1.07 H new ATOM 0 HG12 VAL A 231 15.852 -0.945 -3.334 1.00 1.07 H new ATOM 0 HG13 VAL A 231 17.008 -2.038 -2.537 1.00 1.07 H new ATOM 0 HG21 VAL A 231 18.161 0.006 -0.588 1.00 0.86 H new ATOM 0 HG22 VAL A 231 19.137 -1.113 -1.569 1.00 0.86 H new ATOM 0 HG23 VAL A 231 19.451 0.637 -1.640 1.00 0.86 H new ATOM 3918 N LEU A 232 17.317 -1.851 -5.403 1.00 0.61 N ATOM 3919 CA LEU A 232 17.130 -3.227 -5.948 1.00 0.65 C ATOM 3920 C LEU A 232 18.301 -3.565 -6.872 1.00 0.62 C ATOM 3921 O LEU A 232 18.916 -4.605 -6.755 1.00 0.68 O ATOM 3922 CB LEU A 232 15.820 -3.295 -6.738 1.00 0.74 C ATOM 3923 CG LEU A 232 15.479 -4.757 -7.046 1.00 0.76 C ATOM 3924 CD1 LEU A 232 16.464 -5.307 -8.080 1.00 1.56 C ATOM 3925 CD2 LEU A 232 15.576 -5.585 -5.762 1.00 1.51 C ATOM 0 H LEU A 232 16.658 -1.153 -5.748 1.00 0.61 H new ATOM 0 HA LEU A 232 17.091 -3.942 -5.126 1.00 0.65 H new ATOM 0 HB2 LEU A 232 15.014 -2.836 -6.165 1.00 0.74 H new ATOM 0 HB3 LEU A 232 15.913 -2.730 -7.665 1.00 0.74 H new ATOM 0 HG LEU A 232 14.466 -4.816 -7.443 1.00 0.76 H new ATOM 0 HD11 LEU A 232 16.220 -6.347 -8.298 1.00 1.56 H new ATOM 0 HD12 LEU A 232 16.397 -4.719 -8.995 1.00 1.56 H new ATOM 0 HD13 LEU A 232 17.478 -5.247 -7.684 1.00 1.56 H new ATOM 0 HD21 LEU A 232 15.334 -6.625 -5.981 1.00 1.51 H new ATOM 0 HD22 LEU A 232 16.590 -5.524 -5.366 1.00 1.51 H new ATOM 0 HD23 LEU A 232 14.874 -5.196 -5.024 1.00 1.51 H new ATOM 3937 N SER A 233 18.617 -2.691 -7.790 1.00 0.60 N ATOM 3938 CA SER A 233 19.751 -2.960 -8.718 1.00 0.64 C ATOM 3939 C SER A 233 21.065 -2.804 -7.950 1.00 0.58 C ATOM 3940 O SER A 233 21.819 -3.742 -7.792 1.00 0.68 O ATOM 3941 CB SER A 233 19.711 -1.960 -9.873 1.00 0.71 C ATOM 3942 OG SER A 233 19.237 -2.613 -11.044 1.00 1.08 O ATOM 0 H SER A 233 18.138 -1.802 -7.937 1.00 0.60 H new ATOM 0 HA SER A 233 19.674 -3.972 -9.117 1.00 0.64 H new ATOM 0 HB2 SER A 233 19.061 -1.122 -9.621 1.00 0.71 H new ATOM 0 HB3 SER A 233 20.706 -1.550 -10.049 1.00 0.71 H new ATOM 0 HG SER A 233 19.209 -1.974 -11.786 1.00 1.08 H new ATOM 3948 N ILE A 234 21.333 -1.618 -7.473 1.00 0.56 N ATOM 3949 CA ILE A 234 22.587 -1.363 -6.704 1.00 0.57 C ATOM 3950 C ILE A 234 22.893 -2.569 -5.806 1.00 0.57 C ATOM 3951 O ILE A 234 23.955 -3.163 -5.879 1.00 0.69 O ATOM 3952 CB ILE A 234 22.379 -0.104 -5.849 1.00 0.59 C ATOM 3953 CG1 ILE A 234 22.603 1.136 -6.716 1.00 1.23 C ATOM 3954 CG2 ILE A 234 23.354 -0.078 -4.669 1.00 0.82 C ATOM 3955 CD1 ILE A 234 22.091 2.372 -5.976 1.00 1.61 C ATOM 0 H ILE A 234 20.729 -0.804 -7.585 1.00 0.56 H new ATOM 0 HA ILE A 234 23.427 -1.215 -7.383 1.00 0.57 H new ATOM 0 HB ILE A 234 21.361 -0.113 -5.458 1.00 0.59 H new ATOM 0 HG12 ILE A 234 23.663 1.248 -6.943 1.00 1.23 H new ATOM 0 HG13 ILE A 234 22.083 1.027 -7.668 1.00 1.23 H new ATOM 0 HG21 ILE A 234 23.187 0.823 -4.079 1.00 0.82 H new ATOM 0 HG22 ILE A 234 23.192 -0.956 -4.044 1.00 0.82 H new ATOM 0 HG23 ILE A 234 24.378 -0.082 -5.043 1.00 0.82 H new ATOM 0 HD11 ILE A 234 22.250 3.257 -6.592 1.00 1.61 H new ATOM 0 HD12 ILE A 234 21.026 2.259 -5.771 1.00 1.61 H new ATOM 0 HD13 ILE A 234 22.631 2.483 -5.036 1.00 1.61 H new ATOM 3967 N PHE A 235 21.971 -2.936 -4.963 1.00 0.56 N ATOM 3968 CA PHE A 235 22.208 -4.099 -4.067 1.00 0.61 C ATOM 3969 C PHE A 235 22.417 -5.353 -4.910 1.00 0.62 C ATOM 3970 O PHE A 235 23.328 -6.113 -4.676 1.00 0.63 O ATOM 3971 CB PHE A 235 21.003 -4.293 -3.147 1.00 0.67 C ATOM 3972 CG PHE A 235 20.987 -3.217 -2.080 1.00 0.77 C ATOM 3973 CD1 PHE A 235 22.004 -2.248 -2.025 1.00 1.42 C ATOM 3974 CD2 PHE A 235 19.949 -3.190 -1.140 1.00 1.48 C ATOM 3975 CE1 PHE A 235 21.980 -1.261 -1.034 1.00 1.55 C ATOM 3976 CE2 PHE A 235 19.927 -2.201 -0.150 1.00 1.68 C ATOM 3977 CZ PHE A 235 20.942 -1.238 -0.097 1.00 1.26 C ATOM 0 H PHE A 235 21.064 -2.481 -4.856 1.00 0.56 H new ATOM 0 HA PHE A 235 23.096 -3.916 -3.461 1.00 0.61 H new ATOM 0 HB2 PHE A 235 20.082 -4.254 -3.728 1.00 0.67 H new ATOM 0 HB3 PHE A 235 21.045 -5.278 -2.682 1.00 0.67 H new ATOM 0 HD1 PHE A 235 22.805 -2.266 -2.749 1.00 1.42 H new ATOM 0 HD2 PHE A 235 19.166 -3.932 -1.179 1.00 1.48 H new ATOM 0 HE1 PHE A 235 22.762 -0.518 -0.993 1.00 1.55 H new ATOM 0 HE2 PHE A 235 19.126 -2.181 0.574 1.00 1.68 H new ATOM 0 HZ PHE A 235 20.923 -0.476 0.669 1.00 1.26 H new ATOM 3987 N ASN A 236 21.586 -5.576 -5.889 1.00 0.70 N ATOM 3988 CA ASN A 236 21.754 -6.789 -6.739 1.00 0.77 C ATOM 3989 C ASN A 236 23.225 -6.930 -7.134 1.00 0.73 C ATOM 3990 O ASN A 236 23.755 -8.020 -7.213 1.00 0.75 O ATOM 3991 CB ASN A 236 20.897 -6.664 -8.000 1.00 0.94 C ATOM 3992 CG ASN A 236 20.470 -8.058 -8.464 1.00 1.36 C ATOM 3993 OD1 ASN A 236 20.369 -8.971 -7.668 1.00 2.23 O ATOM 3994 ND2 ASN A 236 20.214 -8.264 -9.728 1.00 1.72 N ATOM 0 H ASN A 236 20.801 -4.974 -6.137 1.00 0.70 H new ATOM 0 HA ASN A 236 21.438 -7.668 -6.178 1.00 0.77 H new ATOM 0 HB2 ASN A 236 20.019 -6.051 -7.797 1.00 0.94 H new ATOM 0 HB3 ASN A 236 21.460 -6.163 -8.788 1.00 0.94 H new ATOM 0 HD21 ASN A 236 19.930 -9.190 -10.046 1.00 1.72 H new ATOM 0 HD22 ASN A 236 20.298 -7.499 -10.397 1.00 1.72 H new ATOM 4001 N SER A 237 23.891 -5.834 -7.381 1.00 0.74 N ATOM 4002 CA SER A 237 25.328 -5.910 -7.765 1.00 0.79 C ATOM 4003 C SER A 237 26.133 -6.417 -6.570 1.00 0.76 C ATOM 4004 O SER A 237 26.972 -7.287 -6.696 1.00 0.84 O ATOM 4005 CB SER A 237 25.828 -4.523 -8.170 1.00 0.88 C ATOM 4006 OG SER A 237 26.637 -4.635 -9.334 1.00 1.23 O ATOM 0 H SER A 237 23.502 -4.892 -7.333 1.00 0.74 H new ATOM 0 HA SER A 237 25.448 -6.591 -8.608 1.00 0.79 H new ATOM 0 HB2 SER A 237 24.983 -3.862 -8.363 1.00 0.88 H new ATOM 0 HB3 SER A 237 26.401 -4.079 -7.356 1.00 0.88 H new ATOM 0 HG SER A 237 27.524 -4.968 -9.085 1.00 1.23 H new ATOM 4012 N TYR A 238 25.881 -5.881 -5.407 1.00 0.72 N ATOM 4013 CA TYR A 238 26.628 -6.337 -4.199 1.00 0.82 C ATOM 4014 C TYR A 238 26.373 -7.835 -3.993 1.00 0.87 C ATOM 4015 O TYR A 238 27.199 -8.560 -3.474 1.00 1.11 O ATOM 4016 CB TYR A 238 26.124 -5.561 -2.977 1.00 0.92 C ATOM 4017 CG TYR A 238 27.220 -5.450 -1.942 1.00 0.86 C ATOM 4018 CD1 TYR A 238 28.361 -6.261 -2.030 1.00 1.41 C ATOM 4019 CD2 TYR A 238 27.091 -4.533 -0.891 1.00 1.55 C ATOM 4020 CE1 TYR A 238 29.370 -6.154 -1.067 1.00 1.60 C ATOM 4021 CE2 TYR A 238 28.101 -4.427 0.071 1.00 1.94 C ATOM 4022 CZ TYR A 238 29.240 -5.237 -0.017 1.00 1.64 C ATOM 4023 OH TYR A 238 30.235 -5.132 0.932 1.00 2.17 O ATOM 0 H TYR A 238 25.191 -5.148 -5.241 1.00 0.72 H new ATOM 0 HA TYR A 238 27.696 -6.160 -4.330 1.00 0.82 H new ATOM 0 HB2 TYR A 238 25.796 -4.566 -3.278 1.00 0.92 H new ATOM 0 HB3 TYR A 238 25.258 -6.066 -2.548 1.00 0.92 H new ATOM 0 HD1 TYR A 238 28.461 -6.968 -2.841 1.00 1.41 H new ATOM 0 HD2 TYR A 238 26.213 -3.908 -0.823 1.00 1.55 H new ATOM 0 HE1 TYR A 238 30.249 -6.778 -1.133 1.00 1.60 H new ATOM 0 HE2 TYR A 238 28.002 -3.720 0.882 1.00 1.94 H new ATOM 0 HH TYR A 238 29.989 -4.449 1.590 1.00 2.17 H new ATOM 4033 N LEU A 239 25.224 -8.289 -4.405 1.00 0.75 N ATOM 4034 CA LEU A 239 24.859 -9.729 -4.261 1.00 0.84 C ATOM 4035 C LEU A 239 25.639 -10.558 -5.287 1.00 0.90 C ATOM 4036 O LEU A 239 25.889 -11.731 -5.092 1.00 1.10 O ATOM 4037 CB LEU A 239 23.354 -9.881 -4.535 1.00 0.85 C ATOM 4038 CG LEU A 239 22.575 -10.186 -3.242 1.00 1.03 C ATOM 4039 CD1 LEU A 239 22.615 -11.687 -2.930 1.00 0.88 C ATOM 4040 CD2 LEU A 239 23.178 -9.414 -2.070 1.00 1.83 C ATOM 0 H LEU A 239 24.507 -7.713 -4.845 1.00 0.75 H new ATOM 0 HA LEU A 239 25.099 -10.075 -3.256 1.00 0.84 H new ATOM 0 HB2 LEU A 239 22.970 -8.965 -4.985 1.00 0.85 H new ATOM 0 HB3 LEU A 239 23.193 -10.682 -5.256 1.00 0.85 H new ATOM 0 HG LEU A 239 21.540 -9.878 -3.389 1.00 1.03 H new ATOM 0 HD11 LEU A 239 22.059 -11.883 -2.013 1.00 0.88 H new ATOM 0 HD12 LEU A 239 22.164 -12.242 -3.753 1.00 0.88 H new ATOM 0 HD13 LEU A 239 23.650 -12.005 -2.802 1.00 0.88 H new ATOM 0 HD21 LEU A 239 22.619 -9.637 -1.161 1.00 1.83 H new ATOM 0 HD22 LEU A 239 24.219 -9.708 -1.937 1.00 1.83 H new ATOM 0 HD23 LEU A 239 23.127 -8.344 -2.274 1.00 1.83 H new ATOM 4052 N LEU A 240 26.016 -9.956 -6.383 1.00 0.88 N ATOM 4053 CA LEU A 240 26.771 -10.705 -7.431 1.00 1.06 C ATOM 4054 C LEU A 240 28.278 -10.628 -7.165 1.00 1.16 C ATOM 4055 O LEU A 240 29.053 -11.360 -7.747 1.00 1.37 O ATOM 4056 CB LEU A 240 26.470 -10.093 -8.801 1.00 1.18 C ATOM 4057 CG LEU A 240 25.418 -10.937 -9.522 1.00 1.41 C ATOM 4058 CD1 LEU A 240 24.183 -11.084 -8.632 1.00 2.16 C ATOM 4059 CD2 LEU A 240 25.022 -10.248 -10.830 1.00 1.92 C ATOM 0 H LEU A 240 25.834 -8.976 -6.599 1.00 0.88 H new ATOM 0 HA LEU A 240 26.462 -11.750 -7.409 1.00 1.06 H new ATOM 0 HB2 LEU A 240 26.111 -9.071 -8.683 1.00 1.18 H new ATOM 0 HB3 LEU A 240 27.382 -10.044 -9.397 1.00 1.18 H new ATOM 0 HG LEU A 240 25.830 -11.923 -9.738 1.00 1.41 H new ATOM 0 HD11 LEU A 240 23.433 -11.686 -9.146 1.00 2.16 H new ATOM 0 HD12 LEU A 240 24.463 -11.573 -7.699 1.00 2.16 H new ATOM 0 HD13 LEU A 240 23.771 -10.098 -8.416 1.00 2.16 H new ATOM 0 HD21 LEU A 240 24.272 -10.849 -11.345 1.00 1.92 H new ATOM 0 HD22 LEU A 240 24.611 -9.262 -10.612 1.00 1.92 H new ATOM 0 HD23 LEU A 240 25.901 -10.142 -11.466 1.00 1.92 H new ATOM 4071 N PHE A 241 28.706 -9.752 -6.298 1.00 1.12 N ATOM 4072 CA PHE A 241 30.167 -9.647 -6.018 1.00 1.32 C ATOM 4073 C PHE A 241 30.504 -10.396 -4.727 1.00 1.50 C ATOM 4074 O PHE A 241 31.582 -10.935 -4.576 1.00 1.79 O ATOM 4075 CB PHE A 241 30.560 -8.176 -5.868 1.00 1.42 C ATOM 4076 CG PHE A 241 30.217 -7.423 -7.133 1.00 1.88 C ATOM 4077 CD1 PHE A 241 30.136 -8.100 -8.358 1.00 2.51 C ATOM 4078 CD2 PHE A 241 29.982 -6.043 -7.080 1.00 2.65 C ATOM 4079 CE1 PHE A 241 29.819 -7.397 -9.528 1.00 3.50 C ATOM 4080 CE2 PHE A 241 29.665 -5.340 -8.249 1.00 3.53 C ATOM 4081 CZ PHE A 241 29.583 -6.016 -9.473 1.00 3.87 C ATOM 0 H PHE A 241 28.113 -9.108 -5.774 1.00 1.12 H new ATOM 0 HA PHE A 241 30.720 -10.089 -6.847 1.00 1.32 H new ATOM 0 HB2 PHE A 241 30.038 -7.735 -5.019 1.00 1.42 H new ATOM 0 HB3 PHE A 241 31.627 -8.094 -5.663 1.00 1.42 H new ATOM 0 HD1 PHE A 241 30.318 -9.164 -8.400 1.00 2.51 H new ATOM 0 HD2 PHE A 241 30.045 -5.521 -6.137 1.00 2.65 H new ATOM 0 HE1 PHE A 241 29.756 -7.919 -10.472 1.00 3.50 H new ATOM 0 HE2 PHE A 241 29.484 -4.276 -8.207 1.00 3.53 H new ATOM 0 HZ PHE A 241 29.338 -5.474 -10.374 1.00 3.87 H new ATOM 4091 N ASN A 242 29.595 -10.434 -3.794 1.00 1.55 N ATOM 4092 CA ASN A 242 29.873 -11.149 -2.517 1.00 1.91 C ATOM 4093 C ASN A 242 29.639 -12.649 -2.708 1.00 1.63 C ATOM 4094 O ASN A 242 30.551 -13.395 -3.004 1.00 1.94 O ATOM 4095 CB ASN A 242 28.943 -10.620 -1.425 1.00 2.41 C ATOM 4096 CG ASN A 242 29.738 -9.734 -0.464 1.00 3.14 C ATOM 4097 OD1 ASN A 242 30.480 -8.870 -0.888 1.00 3.51 O ATOM 4098 ND2 ASN A 242 29.615 -9.913 0.822 1.00 3.77 N ATOM 0 H ASN A 242 28.673 -10.002 -3.860 1.00 1.55 H new ATOM 0 HA ASN A 242 30.909 -10.980 -2.224 1.00 1.91 H new ATOM 0 HB2 ASN A 242 28.127 -10.051 -1.871 1.00 2.41 H new ATOM 0 HB3 ASN A 242 28.492 -11.451 -0.882 1.00 2.41 H new ATOM 0 HD21 ASN A 242 30.141 -9.328 1.471 1.00 3.77 H new ATOM 0 HD22 ASN A 242 28.992 -10.638 1.179 1.00 3.77 H new ATOM 4105 N GLY A 243 28.426 -13.098 -2.542 1.00 1.56 N ATOM 4106 CA GLY A 243 28.141 -14.552 -2.716 1.00 2.12 C ATOM 4107 C GLY A 243 26.825 -14.908 -2.023 1.00 2.31 C ATOM 4108 O GLY A 243 26.682 -15.970 -1.451 1.00 3.17 O ATOM 0 H GLY A 243 27.621 -12.523 -2.294 1.00 1.56 H new ATOM 0 HA2 GLY A 243 28.082 -14.796 -3.777 1.00 2.12 H new ATOM 0 HA3 GLY A 243 28.955 -15.144 -2.298 1.00 2.12 H new ATOM 4112 N ARG A 244 25.861 -14.030 -2.071 1.00 1.75 N ATOM 4113 CA ARG A 244 24.557 -14.325 -1.416 1.00 1.98 C ATOM 4114 C ARG A 244 23.461 -14.357 -2.480 1.00 1.67 C ATOM 4115 O ARG A 244 22.287 -14.265 -2.183 1.00 2.16 O ATOM 4116 CB ARG A 244 24.240 -13.242 -0.386 1.00 2.41 C ATOM 4117 CG ARG A 244 24.912 -13.606 0.936 1.00 3.49 C ATOM 4118 CD ARG A 244 26.425 -13.465 0.787 1.00 4.03 C ATOM 4119 NE ARG A 244 27.087 -14.759 1.116 1.00 5.10 N ATOM 4120 CZ ARG A 244 28.367 -14.787 1.372 1.00 5.86 C ATOM 4121 NH1 ARG A 244 28.851 -14.075 2.353 1.00 6.32 N ATOM 4122 NH2 ARG A 244 29.161 -15.526 0.648 1.00 6.45 N ATOM 0 H ARG A 244 25.920 -13.123 -2.535 1.00 1.75 H new ATOM 0 HA ARG A 244 24.610 -15.290 -0.912 1.00 1.98 H new ATOM 0 HB2 ARG A 244 24.596 -12.273 -0.736 1.00 2.41 H new ATOM 0 HB3 ARG A 244 23.162 -13.155 -0.250 1.00 2.41 H new ATOM 0 HG2 ARG A 244 24.551 -12.955 1.732 1.00 3.49 H new ATOM 0 HG3 ARG A 244 24.656 -14.627 1.218 1.00 3.49 H new ATOM 0 HD2 ARG A 244 26.673 -13.168 -0.232 1.00 4.03 H new ATOM 0 HD3 ARG A 244 26.793 -12.679 1.447 1.00 4.03 H new ATOM 0 HE ARG A 244 26.542 -15.621 1.141 1.00 5.10 H new ATOM 0 HH11 ARG A 244 28.229 -13.497 2.919 1.00 6.32 H new ATOM 0 HH12 ARG A 244 29.851 -14.096 2.554 1.00 6.32 H new ATOM 0 HH21 ARG A 244 28.782 -16.082 -0.118 1.00 6.45 H new ATOM 0 HH22 ARG A 244 30.161 -15.548 0.848 1.00 6.45 H new ATOM 4136 N LYS A 245 23.840 -14.485 -3.723 1.00 1.61 N ATOM 4137 CA LYS A 245 22.827 -14.520 -4.813 1.00 2.51 C ATOM 4138 C LYS A 245 23.003 -15.796 -5.639 1.00 3.42 C ATOM 4139 O LYS A 245 23.692 -15.737 -6.643 1.00 3.79 O ATOM 4140 CB LYS A 245 23.022 -13.299 -5.711 1.00 2.87 C ATOM 4141 CG LYS A 245 22.019 -13.326 -6.864 1.00 3.04 C ATOM 4142 CD LYS A 245 20.605 -13.520 -6.314 1.00 3.70 C ATOM 4143 CE LYS A 245 19.670 -12.474 -6.922 1.00 4.56 C ATOM 4144 NZ LYS A 245 18.942 -13.071 -8.075 1.00 5.57 N ATOM 4145 OXT LYS A 245 22.444 -16.809 -5.252 1.00 4.10 O ATOM 0 H LYS A 245 24.809 -14.567 -4.030 1.00 1.61 H new ATOM 0 HA LYS A 245 21.825 -14.508 -4.384 1.00 2.51 H new ATOM 0 HB2 LYS A 245 22.894 -12.386 -5.129 1.00 2.87 H new ATOM 0 HB3 LYS A 245 24.039 -13.286 -6.104 1.00 2.87 H new ATOM 0 HG2 LYS A 245 22.075 -12.396 -7.429 1.00 3.04 H new ATOM 0 HG3 LYS A 245 22.265 -14.133 -7.554 1.00 3.04 H new ATOM 0 HD2 LYS A 245 20.247 -14.522 -6.549 1.00 3.70 H new ATOM 0 HD3 LYS A 245 20.611 -13.430 -5.228 1.00 3.70 H new ATOM 0 HE2 LYS A 245 18.961 -12.124 -6.172 1.00 4.56 H new ATOM 0 HE3 LYS A 245 20.242 -11.606 -7.249 1.00 4.56 H new ATOM 0 HZ1 LYS A 245 18.306 -12.360 -8.489 1.00 5.57 H new ATOM 0 HZ2 LYS A 245 19.626 -13.384 -8.793 1.00 5.57 H new ATOM 0 HZ3 LYS A 245 18.385 -13.886 -7.749 1.00 5.57 H new TER 4159 LYS A 245 END