USER MOD reduce.3.24.130724 H: found=0, std=0, add=1642, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1632 hydrogens (0 hets) HEADER APOPTOSIS 04-APR-96 1LXL TITLE NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL TITLE 2 DEATH, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: BCL-XL; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1-209, LACKING THE C-TERMINAL COMPND 5 HYDROPHOBIC REGION; COMPND 6 SYNONYM: APOPTOSIS REGULATOR BCL-X; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HMS174 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET29B KEYWDS APOPTOSIS, PROGRAMMED CELL DEATH, BCL-2 FAMILY EXPDTA SOLUTION NMR AUTHOR S.W.MUCHMORE,M.SATTLER,H.LIANG,R.P.MEADOWS,J.E.HARLAN, AUTHOR 2 H.S.YOON,D.NETTESHEIM,B.S.CHANG,C.B.THOMPSON,S.L.WONG, AUTHOR 3 S.C.NG,S.W.FESIK REVDAT 3 24-FEB-09 1LXL 1 VERSN REVDAT 2 01-APR-03 1LXL 1 JRNL REVDAT 1 21-APR-97 1LXL 0 JRNL AUTH S.W.MUCHMORE,M.SATTLER,H.LIANG,R.P.MEADOWS, JRNL AUTH 2 J.E.HARLAN,H.S.YOON,D.NETTESHEIM,B.S.CHANG, JRNL AUTH 3 C.B.THOMPSON,S.L.WONG,S.L.NG,S.W.FESIK JRNL TITL X-RAY AND NMR STRUCTURE OF HUMAN BCL-XL, AN JRNL TITL 2 INHIBITOR OF PROGRAMMED CELL DEATH. JRNL REF NATURE V. 381 335 1996 JRNL REFN ISSN 0028-0836 JRNL PMID 8692274 JRNL DOI 10.1038/381335A0 REMARK 1 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: NULL REMARK 4 REMARK 4 1LXL 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 : 7.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NMR SPECTRA WERE RECORDED ON 1-3 MM SOLUTIONS OF BCL-XL REMARK 210 IN 20 MM SODIUM PHOSPHATE BUFFER (PH 7.3), 5 MM DTT AND 1MM REMARK 210 EDTA AT 303K. 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 SER A -2 31.87 -147.66 REMARK 500 ALA A 0 -51.73 -179.24 REMARK 500 PHE A 27 -68.66 -101.22 REMARK 500 SER A 28 -45.21 83.86 REMARK 500 VAL A 30 -148.71 -127.32 REMARK 500 ASN A 33 174.20 58.96 REMARK 500 ARG A 34 -176.87 54.88 REMARK 500 GLU A 36 24.72 -153.46 REMARK 500 THR A 41 -48.01 -145.92 REMARK 500 GLU A 44 -36.20 -159.62 REMARK 500 MET A 45 179.12 55.91 REMARK 500 SER A 49 37.84 171.48 REMARK 500 ALA A 50 -77.94 173.63 REMARK 500 ILE A 51 90.75 40.10 REMARK 500 ASN A 52 173.18 -54.43 REMARK 500 ASN A 54 71.16 -179.10 REMARK 500 PRO A 55 46.12 -83.87 REMARK 500 TRP A 57 -69.97 -97.40 REMARK 500 HIS A 58 33.16 38.61 REMARK 500 LEU A 59 -77.36 77.59 REMARK 500 ASP A 61 30.51 -160.99 REMARK 500 ALA A 64 -91.25 58.23 REMARK 500 ASN A 66 111.74 64.65 REMARK 500 ALA A 68 -77.32 -114.39 REMARK 500 HIS A 71 -2.90 75.43 REMARK 500 SER A 72 31.10 -158.27 REMARK 500 SER A 73 -44.35 175.02 REMARK 500 SER A 74 -162.93 -63.69 REMARK 500 LEU A 75 103.32 58.34 REMARK 500 ALA A 77 -45.48 -132.93 REMARK 500 VAL A 80 -159.03 40.90 REMARK 500 MET A 83 -79.59 168.92 REMARK 500 ALA A 84 -90.61 57.27 REMARK 500 ARG A 100 -168.59 -122.03 REMARK 500 TYR A 101 -72.41 79.71 REMARK 500 ARG A 102 -75.50 78.99 REMARK 500 ARG A 103 -153.87 -65.55 REMARK 500 ALA A 104 -73.64 79.87 REMARK 500 GLN A 111 38.89 -97.63 REMARK 500 LEU A 112 -64.15 -155.24 REMARK 500 HIS A 113 73.10 65.26 REMARK 500 THR A 115 168.76 179.73 REMARK 500 PRO A 116 99.85 -52.86 REMARK 500 THR A 118 174.34 -52.08 REMARK 500 ALA A 119 -159.80 -164.23 REMARK 500 GLN A 121 -77.20 -67.28 REMARK 500 VAL A 135 70.60 51.36 REMARK 500 HIS A 177 -53.08 -147.01 REMARK 500 ASN A 198 -77.77 -54.54 REMARK 500 ALA A 199 44.02 177.30 REMARK 500 GLU A 202 -64.67 -129.04 REMARK 500 GLN A 207 42.78 -163.59 REMARK 500 GLU A 208 -76.22 77.33 REMARK 500 ARG A 209 -34.98 174.96 REMARK 500 LEU A 210 -86.90 67.95 REMARK 500 GLU A 211 100.59 -173.65 REMARK 500 HIS A 213 36.20 -179.09 REMARK 500 HIS A 214 130.03 65.83 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 6 0.19 SIDE_CHAIN REMARK 500 ARG A 34 0.17 SIDE_CHAIN REMARK 500 ARG A 78 0.26 SIDE_CHAIN REMARK 500 ARG A 91 0.24 SIDE_CHAIN REMARK 500 ARG A 100 0.32 SIDE_CHAIN REMARK 500 ARG A 102 0.31 SIDE_CHAIN REMARK 500 ARG A 103 0.32 SIDE_CHAIN REMARK 500 ARG A 132 0.20 SIDE_CHAIN REMARK 500 ARG A 139 0.21 SIDE_CHAIN REMARK 500 ARG A 165 0.30 SIDE_CHAIN REMARK 500 ARG A 204 0.21 SIDE_CHAIN REMARK 500 ARG A 209 0.19 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1LXL A 1 209 UNP Q07817 BCLX_HUMAN 1 209 SEQRES 1 A 221 MET SER MET ALA MET SER GLN SER ASN ARG GLU LEU VAL SEQRES 2 A 221 VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR SEQRES 3 A 221 SER TRP SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 221 GLU ALA PRO GLU GLY THR GLU SER GLU MET GLU THR PRO SEQRES 5 A 221 SER ALA ILE ASN GLY ASN PRO SER TRP HIS LEU ALA ASP SEQRES 6 A 221 SER PRO ALA VAL ASN GLY ALA THR GLY HIS SER SER SER SEQRES 7 A 221 LEU ASP ALA ARG GLU VAL ILE PRO MET ALA ALA VAL LYS SEQRES 8 A 221 GLN ALA LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG SEQRES 9 A 221 TYR ARG ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS SEQRES 10 A 221 ILE THR PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL SEQRES 11 A 221 VAL ASN GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG SEQRES 12 A 221 ILE VAL ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL SEQRES 13 A 221 GLU SER VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG SEQRES 14 A 221 ILE ALA ALA TRP MET ALA THR TYR LEU ASN ASP HIS LEU SEQRES 15 A 221 GLU PRO TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE SEQRES 16 A 221 VAL GLU LEU TYR GLY ASN ASN ALA ALA ALA GLU SER ARG SEQRES 17 A 221 LYS GLY GLN GLU ARG LEU GLU HIS HIS HIS HIS HIS HIS HELIX 1 1 GLU A 7 LYS A 20 1 14 HELIX 2 2 ALA A 85 GLU A 98 1 14 HELIX 3 3 PHE A 105 LEU A 112 1 8 HELIX 4 4 TYR A 120 PHE A 131 1 12 HELIX 5 5 TRP A 137 VAL A 155 1 19 HELIX 6 6 VAL A 163 GLU A 184 1 22 HELIX 7 7 TRP A 188 LEU A 194 1 7 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 214 HIS : no HD1:sc= -0.334 X(o=-2.4,f=-2.6) USER MOD Set 1.2: A 216 HIS :FLIP no HE2:sc= -2.08 F(o=-3.4,f=-2.4) USER MOD Set 2.1: A 212 HIS : no HD1:sc= -4.5 X(o=-12,f=-12!) USER MOD Set 2.2: A 213 HIS : no HD1:sc= -2.84 K(o=-12,f=-15!) USER MOD Set 2.3: A 215 HIS : no HD1:sc= -1.35 K(o=-12,f=-14) USER MOD Set 2.4: A 217 HIS : no HD1:sc= -3.59 K(o=-12,f=-16!) USER MOD Set 3.1: A 5 ASN : amide:sc= -4.61 K(o=-8.7,f=-11!) USER MOD Set 3.2: A 175 ASN : amide:sc= -4.09 K(o=-8.7,f=-17!) USER MOD Set 4.1: A 154 SER OG : rot 180:sc=-0.00604 USER MOD Set 4.2: A 159 MET CE :methyl 140:sc= -3.06 (180deg=-7.17!) USER MOD Set 5.1: A 71 HIS :FLIP no HE2:sc= -1.7! F(o=-2.5,f=-1.1!) USER MOD Set 5.2: A 72 SER OG : rot -73:sc= 0.553 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.114 (180deg=-0.116) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0558 K(o=-0.056,f=-0.57) USER MOD Single : A 4 SER OG : rot 57:sc= -2.23 USER MOD Single : A -1 MET CE :methyl -120:sc= -0.157 (180deg=-0.667) USER MOD Single : A -2 SER OG : rot 23:sc= 0.209 USER MOD Single : A -3 MET CE :methyl 148:sc= -0.294 (180deg=-1.54!) USER MOD Single : A -3 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.155 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.957) USER MOD Single : A 18 SER OG : rot -5:sc= -0.32! USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 47:sc= 0.0162 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.8!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.109 USER MOD Single : A 33 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.5!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 41 THR OG1 : rot 160:sc= -0.0802 USER MOD Single : A 43 SER OG : rot -54:sc= 0.0435 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.124 USER MOD Single : A 52 ASN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.34) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -4.78 K(o=-4.8,f=-6.4!) USER MOD Single : A 62 SER OG : rot 150:sc= -0.546 USER MOD Single : A 66 ASN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 170:sc= -0.82 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 83 MET CE :methyl -147:sc= -6.04! (180deg=-7.83!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -88:sc= 0.249 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -1.01 K(o=-1,f=-3.9!) USER MOD Single : A 113 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.026) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 120 TYR OH : rot -28:sc= 0.444 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.3!) USER MOD Single : A 128 ASN : amide:sc= -1.85 K(o=-1.8,f=-6.1!) USER MOD Single : A 136 ASN : amide:sc= -0.088 X(o=-0.088,f=-0.56) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 151 CYS SG : rot -150:sc= -1.97! USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= -4.99! C(o=-5!,f=-6.8!) USER MOD Single : A 164 SER OG : rot 102:sc= 0.0234 USER MOD Single : A 170 MET CE :methyl 169:sc= -5.17! (180deg=-6!) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 173 TYR OH : rot 180:sc= -0.0899 USER MOD Single : A 177 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-1.5) USER MOD Single : A 183 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.94) USER MOD Single : A 185 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.6!) USER MOD Single : A 203 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 GLN :FLIP amide:sc= -3.56 F(o=-6.5!,f=-3.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -3 -3.776 20.337 15.238 1.00 8.91 N ATOM 2 CA MET A -3 -3.934 18.871 15.457 1.00 8.20 C ATOM 3 C MET A -3 -4.864 18.294 14.388 1.00 7.43 C ATOM 4 O MET A -3 -6.071 18.310 14.527 1.00 7.60 O ATOM 5 CB MET A -3 -4.534 18.624 16.842 1.00 8.64 C ATOM 6 CG MET A -3 -4.438 17.135 17.182 1.00 9.01 C ATOM 7 SD MET A -3 -5.678 16.721 18.434 1.00 9.65 S ATOM 8 CE MET A -3 -7.138 16.938 17.387 1.00 10.07 C ATOM 0 H1 MET A -3 -3.144 20.730 15.964 1.00 8.91 H new ATOM 0 H2 MET A -3 -3.368 20.505 14.296 1.00 8.91 H new ATOM 0 H3 MET A -3 -4.705 20.800 15.301 1.00 8.91 H new ATOM 0 HA MET A -3 -2.960 18.386 15.392 1.00 8.20 H new ATOM 0 HB2 MET A -3 -4.004 19.214 17.590 1.00 8.64 H new ATOM 0 HB3 MET A -3 -5.575 18.946 16.862 1.00 8.64 H new ATOM 0 HG2 MET A -3 -4.596 16.535 16.286 1.00 9.01 H new ATOM 0 HG3 MET A -3 -3.440 16.899 17.551 1.00 9.01 H new ATOM 0 HE1 MET A -3 -7.917 16.244 17.701 1.00 10.07 H new ATOM 0 HE2 MET A -3 -7.504 17.961 17.480 1.00 10.07 H new ATOM 0 HE3 MET A -3 -6.873 16.740 16.348 1.00 10.07 H new ATOM 20 N SER A -2 -4.313 17.783 13.321 1.00 6.84 N ATOM 21 CA SER A -2 -5.167 17.206 12.245 1.00 6.32 C ATOM 22 C SER A -2 -4.432 16.041 11.580 1.00 5.68 C ATOM 23 O SER A -2 -4.594 15.783 10.404 1.00 5.92 O ATOM 24 CB SER A -2 -5.468 18.281 11.201 1.00 6.85 C ATOM 25 OG SER A -2 -6.611 19.023 11.608 1.00 7.20 O ATOM 0 H SER A -2 -3.309 17.740 13.148 1.00 6.84 H new ATOM 0 HA SER A -2 -6.101 16.847 12.677 1.00 6.32 H new ATOM 0 HB2 SER A -2 -4.611 18.945 11.088 1.00 6.85 H new ATOM 0 HB3 SER A -2 -5.646 17.821 10.229 1.00 6.85 H new ATOM 0 HG SER A -2 -6.723 18.946 12.579 1.00 7.20 H new ATOM 31 N MET A -1 -3.625 15.334 12.323 1.00 5.19 N ATOM 32 CA MET A -1 -2.880 14.187 11.732 1.00 4.87 C ATOM 33 C MET A -1 -3.731 12.919 11.837 1.00 4.15 C ATOM 34 O MET A -1 -4.753 12.899 12.494 1.00 4.38 O ATOM 35 CB MET A -1 -1.568 13.984 12.492 1.00 5.59 C ATOM 36 CG MET A -1 -0.599 15.118 12.149 1.00 6.18 C ATOM 37 SD MET A -1 0.575 15.340 13.509 1.00 7.13 S ATOM 38 CE MET A -1 -0.558 16.166 14.654 1.00 8.02 C ATOM 0 H MET A -1 -3.450 15.501 13.314 1.00 5.19 H new ATOM 0 HA MET A -1 -2.664 14.395 10.684 1.00 4.87 H new ATOM 0 HB2 MET A -1 -1.756 13.964 13.565 1.00 5.59 H new ATOM 0 HB3 MET A -1 -1.127 13.023 12.228 1.00 5.59 H new ATOM 0 HG2 MET A -1 -0.065 14.888 11.227 1.00 6.18 H new ATOM 0 HG3 MET A -1 -1.150 16.042 11.976 1.00 6.18 H new ATOM 0 HE1 MET A -1 -0.171 17.156 14.898 1.00 8.02 H new ATOM 0 HE2 MET A -1 -1.539 16.264 14.188 1.00 8.02 H new ATOM 0 HE3 MET A -1 -0.647 15.576 15.566 1.00 8.02 H new ATOM 48 N ALA A 0 -3.318 11.861 11.196 1.00 3.72 N ATOM 49 CA ALA A 0 -4.105 10.597 11.261 1.00 3.44 C ATOM 50 C ALA A 0 -3.398 9.513 10.444 1.00 2.86 C ATOM 51 O ALA A 0 -3.155 8.422 10.920 1.00 3.34 O ATOM 52 CB ALA A 0 -5.503 10.837 10.689 1.00 4.12 C ATOM 0 H ALA A 0 -2.470 11.817 10.630 1.00 3.72 H new ATOM 0 HA ALA A 0 -4.188 10.273 12.299 1.00 3.44 H new ATOM 0 HB1 ALA A 0 -6.079 9.913 10.736 1.00 4.12 H new ATOM 0 HB2 ALA A 0 -6.007 11.609 11.271 1.00 4.12 H new ATOM 0 HB3 ALA A 0 -5.421 11.161 9.651 1.00 4.12 H new ATOM 58 N MET A 1 -3.067 9.804 9.215 1.00 2.27 N ATOM 59 CA MET A 1 -2.377 8.789 8.370 1.00 1.92 C ATOM 60 C MET A 1 -3.230 7.521 8.298 1.00 1.97 C ATOM 61 O MET A 1 -2.828 6.464 8.743 1.00 2.60 O ATOM 62 CB MET A 1 -1.016 8.454 8.984 1.00 1.87 C ATOM 63 CG MET A 1 0.053 9.371 8.389 1.00 1.76 C ATOM 64 SD MET A 1 1.261 9.799 9.667 1.00 1.92 S ATOM 65 CE MET A 1 2.726 9.162 8.818 1.00 1.30 C ATOM 0 H MET A 1 -3.245 10.700 8.760 1.00 2.27 H new ATOM 0 HA MET A 1 -2.234 9.188 7.366 1.00 1.92 H new ATOM 0 HB2 MET A 1 -1.054 8.577 10.066 1.00 1.87 H new ATOM 0 HB3 MET A 1 -0.765 7.411 8.790 1.00 1.87 H new ATOM 0 HG2 MET A 1 0.550 8.875 7.555 1.00 1.76 H new ATOM 0 HG3 MET A 1 -0.408 10.275 7.992 1.00 1.76 H new ATOM 0 HE1 MET A 1 3.554 9.094 9.523 1.00 1.30 H new ATOM 0 HE2 MET A 1 2.511 8.173 8.414 1.00 1.30 H new ATOM 0 HE3 MET A 1 2.996 9.835 8.004 1.00 1.30 H new ATOM 75 N SER A 2 -4.407 7.617 7.740 1.00 1.79 N ATOM 76 CA SER A 2 -5.284 6.417 7.640 1.00 1.99 C ATOM 77 C SER A 2 -4.976 5.667 6.342 1.00 1.58 C ATOM 78 O SER A 2 -4.877 4.457 6.321 1.00 2.23 O ATOM 79 CB SER A 2 -6.749 6.855 7.639 1.00 2.64 C ATOM 80 OG SER A 2 -7.482 6.045 8.549 1.00 3.37 O ATOM 0 H SER A 2 -4.798 8.474 7.350 1.00 1.79 H new ATOM 0 HA SER A 2 -5.101 5.761 8.491 1.00 1.99 H new ATOM 0 HB2 SER A 2 -6.827 7.904 7.924 1.00 2.64 H new ATOM 0 HB3 SER A 2 -7.167 6.765 6.636 1.00 2.64 H new ATOM 0 HG SER A 2 -8.421 6.324 8.552 1.00 3.37 H new ATOM 86 N GLN A 3 -4.825 6.378 5.258 1.00 1.07 N ATOM 87 CA GLN A 3 -4.523 5.705 3.963 1.00 0.85 C ATOM 88 C GLN A 3 -3.040 5.880 3.632 1.00 0.70 C ATOM 89 O GLN A 3 -2.660 5.999 2.484 1.00 1.06 O ATOM 90 CB GLN A 3 -5.371 6.332 2.853 1.00 1.18 C ATOM 91 CG GLN A 3 -6.818 5.853 2.983 1.00 1.92 C ATOM 92 CD GLN A 3 -7.765 7.048 2.855 1.00 2.31 C ATOM 93 OE1 GLN A 3 -7.509 7.962 2.097 1.00 2.48 O ATOM 94 NE2 GLN A 3 -8.856 7.079 3.570 1.00 3.03 N ATOM 0 H GLN A 3 -4.898 7.394 5.213 1.00 1.07 H new ATOM 0 HA GLN A 3 -4.755 4.643 4.042 1.00 0.85 H new ATOM 0 HB2 GLN A 3 -5.329 7.419 2.919 1.00 1.18 H new ATOM 0 HB3 GLN A 3 -4.972 6.057 1.877 1.00 1.18 H new ATOM 0 HG2 GLN A 3 -7.039 5.116 2.211 1.00 1.92 H new ATOM 0 HG3 GLN A 3 -6.964 5.361 3.945 1.00 1.92 H new ATOM 0 HE21 GLN A 3 -9.071 6.311 4.206 1.00 3.03 H new ATOM 0 HE22 GLN A 3 -9.494 7.871 3.493 1.00 3.03 H new ATOM 103 N SER A 4 -2.198 5.898 4.629 1.00 0.67 N ATOM 104 CA SER A 4 -0.741 6.066 4.369 1.00 0.58 C ATOM 105 C SER A 4 -0.014 4.754 4.665 1.00 0.51 C ATOM 106 O SER A 4 0.992 4.441 4.060 1.00 0.65 O ATOM 107 CB SER A 4 -0.186 7.170 5.270 1.00 0.85 C ATOM 108 OG SER A 4 -0.978 7.258 6.447 1.00 1.39 O ATOM 0 H SER A 4 -2.456 5.804 5.611 1.00 0.67 H new ATOM 0 HA SER A 4 -0.589 6.338 3.324 1.00 0.58 H new ATOM 0 HB2 SER A 4 0.851 6.956 5.530 1.00 0.85 H new ATOM 0 HB3 SER A 4 -0.192 8.123 4.742 1.00 0.85 H new ATOM 0 HG SER A 4 -0.992 6.388 6.897 1.00 1.39 H new ATOM 114 N ASN A 5 -0.514 3.983 5.591 1.00 0.41 N ATOM 115 CA ASN A 5 0.150 2.692 5.924 1.00 0.45 C ATOM 116 C ASN A 5 -0.595 1.543 5.240 1.00 0.40 C ATOM 117 O ASN A 5 0.005 0.646 4.680 1.00 0.38 O ATOM 118 CB ASN A 5 0.125 2.484 7.440 1.00 0.55 C ATOM 119 CG ASN A 5 0.115 3.843 8.141 1.00 1.25 C ATOM 120 OD1 ASN A 5 -0.908 4.280 8.630 1.00 2.05 O ATOM 121 ND2 ASN A 5 1.219 4.536 8.213 1.00 1.97 N ATOM 0 H ASN A 5 -1.354 4.191 6.131 1.00 0.41 H new ATOM 0 HA ASN A 5 1.183 2.714 5.576 1.00 0.45 H new ATOM 0 HB2 ASN A 5 -0.757 1.910 7.724 1.00 0.55 H new ATOM 0 HB3 ASN A 5 0.996 1.908 7.753 1.00 0.55 H new ATOM 0 HD21 ASN A 5 1.222 5.443 8.679 1.00 1.97 H new ATOM 0 HD22 ASN A 5 2.078 4.170 7.803 1.00 1.97 H new ATOM 128 N ARG A 6 -1.899 1.564 5.281 1.00 0.40 N ATOM 129 CA ARG A 6 -2.684 0.474 4.635 1.00 0.38 C ATOM 130 C ARG A 6 -2.723 0.699 3.123 1.00 0.31 C ATOM 131 O ARG A 6 -2.382 -0.171 2.347 1.00 0.32 O ATOM 132 CB ARG A 6 -4.110 0.476 5.188 1.00 0.44 C ATOM 133 CG ARG A 6 -4.657 -0.953 5.194 1.00 1.20 C ATOM 134 CD ARG A 6 -5.230 -1.273 6.575 1.00 1.34 C ATOM 135 NE ARG A 6 -6.450 -0.451 6.809 1.00 1.82 N ATOM 136 CZ ARG A 6 -7.632 -1.000 6.733 1.00 2.23 C ATOM 137 NH1 ARG A 6 -7.866 -1.923 5.840 1.00 2.77 N ATOM 138 NH2 ARG A 6 -8.579 -0.627 7.549 1.00 2.80 N ATOM 0 H ARG A 6 -2.455 2.289 5.734 1.00 0.40 H new ATOM 0 HA ARG A 6 -2.213 -0.486 4.847 1.00 0.38 H new ATOM 0 HB2 ARG A 6 -4.119 0.884 6.199 1.00 0.44 H new ATOM 0 HB3 ARG A 6 -4.747 1.118 4.579 1.00 0.44 H new ATOM 0 HG2 ARG A 6 -5.430 -1.061 4.434 1.00 1.20 H new ATOM 0 HG3 ARG A 6 -3.864 -1.658 4.945 1.00 1.20 H new ATOM 0 HD2 ARG A 6 -5.474 -2.333 6.642 1.00 1.34 H new ATOM 0 HD3 ARG A 6 -4.487 -1.068 7.345 1.00 1.34 H new ATOM 0 HE ARG A 6 -6.362 0.541 7.029 1.00 1.82 H new ATOM 0 HH11 ARG A 6 -7.126 -2.215 5.202 1.00 2.77 H new ATOM 0 HH12 ARG A 6 -8.789 -2.352 5.780 1.00 2.77 H new ATOM 0 HH21 ARG A 6 -8.396 0.094 8.247 1.00 2.80 H new ATOM 0 HH22 ARG A 6 -9.502 -1.056 7.489 1.00 2.80 H new ATOM 152 N GLU A 7 -3.137 1.861 2.697 1.00 0.31 N ATOM 153 CA GLU A 7 -3.198 2.141 1.235 1.00 0.29 C ATOM 154 C GLU A 7 -1.828 1.875 0.606 1.00 0.26 C ATOM 155 O GLU A 7 -1.725 1.538 -0.557 1.00 0.29 O ATOM 156 CB GLU A 7 -3.585 3.604 1.012 1.00 0.35 C ATOM 157 CG GLU A 7 -4.258 3.752 -0.354 1.00 0.68 C ATOM 158 CD GLU A 7 -4.170 5.209 -0.812 1.00 1.10 C ATOM 159 OE1 GLU A 7 -3.154 5.570 -1.382 1.00 1.77 O ATOM 160 OE2 GLU A 7 -5.121 5.939 -0.584 1.00 1.80 O ATOM 0 H GLU A 7 -3.436 2.629 3.299 1.00 0.31 H new ATOM 0 HA GLU A 7 -3.942 1.493 0.772 1.00 0.29 H new ATOM 0 HB2 GLU A 7 -4.261 3.937 1.800 1.00 0.35 H new ATOM 0 HB3 GLU A 7 -2.699 4.237 1.063 1.00 0.35 H new ATOM 0 HG2 GLU A 7 -3.774 3.101 -1.082 1.00 0.68 H new ATOM 0 HG3 GLU A 7 -5.301 3.441 -0.293 1.00 0.68 H new ATOM 167 N LEU A 8 -0.775 2.024 1.363 1.00 0.29 N ATOM 168 CA LEU A 8 0.584 1.779 0.804 1.00 0.32 C ATOM 169 C LEU A 8 0.826 0.275 0.683 1.00 0.28 C ATOM 170 O LEU A 8 1.211 -0.218 -0.356 1.00 0.29 O ATOM 171 CB LEU A 8 1.637 2.380 1.738 1.00 0.44 C ATOM 172 CG LEU A 8 2.321 3.568 1.058 1.00 0.35 C ATOM 173 CD1 LEU A 8 3.381 4.143 1.997 1.00 0.70 C ATOM 174 CD2 LEU A 8 2.991 3.105 -0.240 1.00 0.50 C ATOM 0 H LEU A 8 -0.797 2.305 2.343 1.00 0.29 H new ATOM 0 HA LEU A 8 0.655 2.243 -0.180 1.00 0.32 H new ATOM 0 HB2 LEU A 8 1.169 2.703 2.668 1.00 0.44 H new ATOM 0 HB3 LEU A 8 2.377 1.624 1.999 1.00 0.44 H new ATOM 0 HG LEU A 8 1.578 4.331 0.828 1.00 0.35 H new ATOM 0 HD11 LEU A 8 3.871 4.990 1.517 1.00 0.70 H new ATOM 0 HD12 LEU A 8 2.907 4.474 2.921 1.00 0.70 H new ATOM 0 HD13 LEU A 8 4.121 3.376 2.223 1.00 0.70 H new ATOM 0 HD21 LEU A 8 3.477 3.954 -0.721 1.00 0.50 H new ATOM 0 HD22 LEU A 8 3.735 2.342 -0.013 1.00 0.50 H new ATOM 0 HD23 LEU A 8 2.238 2.690 -0.910 1.00 0.50 H new ATOM 186 N VAL A 9 0.606 -0.456 1.739 1.00 0.28 N ATOM 187 CA VAL A 9 0.826 -1.929 1.687 1.00 0.28 C ATOM 188 C VAL A 9 0.006 -2.541 0.546 1.00 0.27 C ATOM 189 O VAL A 9 0.349 -3.578 0.016 1.00 0.46 O ATOM 190 CB VAL A 9 0.390 -2.551 3.013 1.00 0.32 C ATOM 191 CG1 VAL A 9 0.145 -4.047 2.818 1.00 0.34 C ATOM 192 CG2 VAL A 9 1.492 -2.348 4.056 1.00 0.35 C ATOM 0 H VAL A 9 0.283 -0.097 2.638 1.00 0.28 H new ATOM 0 HA VAL A 9 1.884 -2.128 1.514 1.00 0.28 H new ATOM 0 HB VAL A 9 -0.529 -2.074 3.354 1.00 0.32 H new ATOM 0 HG11 VAL A 9 -0.166 -4.491 3.764 1.00 0.34 H new ATOM 0 HG12 VAL A 9 -0.638 -4.194 2.074 1.00 0.34 H new ATOM 0 HG13 VAL A 9 1.064 -4.525 2.478 1.00 0.34 H new ATOM 0 HG21 VAL A 9 1.183 -2.791 5.003 1.00 0.35 H new ATOM 0 HG22 VAL A 9 2.410 -2.827 3.714 1.00 0.35 H new ATOM 0 HG23 VAL A 9 1.669 -1.282 4.195 1.00 0.35 H new ATOM 202 N VAL A 10 -1.074 -1.916 0.163 1.00 0.29 N ATOM 203 CA VAL A 10 -1.905 -2.479 -0.941 1.00 0.30 C ATOM 204 C VAL A 10 -1.440 -1.916 -2.286 1.00 0.30 C ATOM 205 O VAL A 10 -1.600 -2.540 -3.316 1.00 0.33 O ATOM 206 CB VAL A 10 -3.372 -2.111 -0.716 1.00 0.32 C ATOM 207 CG1 VAL A 10 -4.213 -2.632 -1.882 1.00 0.34 C ATOM 208 CG2 VAL A 10 -3.862 -2.747 0.587 1.00 0.45 C ATOM 0 H VAL A 10 -1.417 -1.043 0.565 1.00 0.29 H new ATOM 0 HA VAL A 10 -1.797 -3.564 -0.950 1.00 0.30 H new ATOM 0 HB VAL A 10 -3.469 -1.027 -0.653 1.00 0.32 H new ATOM 0 HG11 VAL A 10 -5.259 -2.370 -1.722 1.00 0.34 H new ATOM 0 HG12 VAL A 10 -3.864 -2.182 -2.812 1.00 0.34 H new ATOM 0 HG13 VAL A 10 -4.116 -3.716 -1.945 1.00 0.34 H new ATOM 0 HG21 VAL A 10 -4.908 -2.485 0.749 1.00 0.45 H new ATOM 0 HG22 VAL A 10 -3.765 -3.831 0.522 1.00 0.45 H new ATOM 0 HG23 VAL A 10 -3.263 -2.378 1.420 1.00 0.45 H new ATOM 218 N ASP A 11 -0.867 -0.744 -2.291 1.00 0.30 N ATOM 219 CA ASP A 11 -0.398 -0.153 -3.577 1.00 0.33 C ATOM 220 C ASP A 11 0.862 -0.883 -4.055 1.00 0.31 C ATOM 221 O ASP A 11 1.155 -0.927 -5.235 1.00 0.33 O ATOM 222 CB ASP A 11 -0.077 1.329 -3.368 1.00 0.38 C ATOM 223 CG ASP A 11 0.138 2.001 -4.725 1.00 1.14 C ATOM 224 OD1 ASP A 11 -0.801 2.034 -5.504 1.00 1.83 O ATOM 225 OD2 ASP A 11 1.239 2.471 -4.963 1.00 1.89 O ATOM 0 H ASP A 11 -0.703 -0.171 -1.463 1.00 0.30 H new ATOM 0 HA ASP A 11 -1.181 -0.257 -4.328 1.00 0.33 H new ATOM 0 HB2 ASP A 11 -0.892 1.817 -2.834 1.00 0.38 H new ATOM 0 HB3 ASP A 11 0.816 1.435 -2.752 1.00 0.38 H new ATOM 230 N PHE A 12 1.610 -1.458 -3.152 1.00 0.30 N ATOM 231 CA PHE A 12 2.847 -2.181 -3.560 1.00 0.31 C ATOM 232 C PHE A 12 2.486 -3.599 -4.005 1.00 0.29 C ATOM 233 O PHE A 12 3.050 -4.129 -4.941 1.00 0.30 O ATOM 234 CB PHE A 12 3.812 -2.249 -2.375 1.00 0.36 C ATOM 235 CG PHE A 12 5.209 -2.519 -2.878 1.00 0.33 C ATOM 236 CD1 PHE A 12 5.631 -3.836 -3.100 1.00 1.33 C ATOM 237 CD2 PHE A 12 6.083 -1.454 -3.124 1.00 1.13 C ATOM 238 CE1 PHE A 12 6.926 -4.087 -3.567 1.00 1.38 C ATOM 239 CE2 PHE A 12 7.379 -1.704 -3.591 1.00 1.11 C ATOM 240 CZ PHE A 12 7.800 -3.021 -3.813 1.00 0.45 C ATOM 0 H PHE A 12 1.417 -1.458 -2.150 1.00 0.30 H new ATOM 0 HA PHE A 12 3.322 -1.651 -4.386 1.00 0.31 H new ATOM 0 HB2 PHE A 12 3.789 -1.311 -1.819 1.00 0.36 H new ATOM 0 HB3 PHE A 12 3.504 -3.035 -1.686 1.00 0.36 H new ATOM 0 HD1 PHE A 12 4.957 -4.658 -2.911 1.00 1.33 H new ATOM 0 HD2 PHE A 12 5.757 -0.438 -2.953 1.00 1.13 H new ATOM 0 HE1 PHE A 12 7.251 -5.103 -3.738 1.00 1.38 H new ATOM 0 HE2 PHE A 12 8.053 -0.882 -3.780 1.00 1.11 H new ATOM 0 HZ PHE A 12 8.799 -3.215 -4.174 1.00 0.45 H new ATOM 250 N LEU A 13 1.548 -4.217 -3.341 1.00 0.35 N ATOM 251 CA LEU A 13 1.150 -5.600 -3.726 1.00 0.37 C ATOM 252 C LEU A 13 0.424 -5.561 -5.070 1.00 0.35 C ATOM 253 O LEU A 13 0.514 -6.476 -5.865 1.00 0.42 O ATOM 254 CB LEU A 13 0.217 -6.178 -2.660 1.00 0.47 C ATOM 255 CG LEU A 13 0.897 -6.107 -1.292 1.00 0.60 C ATOM 256 CD1 LEU A 13 -0.152 -6.268 -0.191 1.00 1.36 C ATOM 257 CD2 LEU A 13 1.929 -7.229 -1.178 1.00 1.26 C ATOM 0 H LEU A 13 1.040 -3.824 -2.549 1.00 0.35 H new ATOM 0 HA LEU A 13 2.039 -6.226 -3.808 1.00 0.37 H new ATOM 0 HB2 LEU A 13 -0.720 -5.621 -2.641 1.00 0.47 H new ATOM 0 HB3 LEU A 13 -0.031 -7.212 -2.901 1.00 0.47 H new ATOM 0 HG LEU A 13 1.393 -5.143 -1.183 1.00 0.60 H new ATOM 0 HD11 LEU A 13 0.333 -6.217 0.784 1.00 1.36 H new ATOM 0 HD12 LEU A 13 -0.889 -5.469 -0.271 1.00 1.36 H new ATOM 0 HD13 LEU A 13 -0.648 -7.232 -0.300 1.00 1.36 H new ATOM 0 HD21 LEU A 13 2.414 -7.179 -0.203 1.00 1.26 H new ATOM 0 HD22 LEU A 13 1.432 -8.193 -1.287 1.00 1.26 H new ATOM 0 HD23 LEU A 13 2.678 -7.116 -1.962 1.00 1.26 H new ATOM 269 N SER A 14 -0.298 -4.506 -5.330 1.00 0.38 N ATOM 270 CA SER A 14 -1.031 -4.404 -6.622 1.00 0.43 C ATOM 271 C SER A 14 -0.049 -4.046 -7.738 1.00 0.42 C ATOM 272 O SER A 14 -0.076 -4.621 -8.807 1.00 0.49 O ATOM 273 CB SER A 14 -2.102 -3.317 -6.516 1.00 0.51 C ATOM 274 OG SER A 14 -1.682 -2.172 -7.247 1.00 1.40 O ATOM 0 H SER A 14 -0.412 -3.710 -4.703 1.00 0.38 H new ATOM 0 HA SER A 14 -1.505 -5.359 -6.848 1.00 0.43 H new ATOM 0 HB2 SER A 14 -3.050 -3.685 -6.907 1.00 0.51 H new ATOM 0 HB3 SER A 14 -2.269 -3.055 -5.471 1.00 0.51 H new ATOM 0 HG SER A 14 -2.367 -1.474 -7.183 1.00 1.40 H new ATOM 280 N TYR A 15 0.818 -3.100 -7.500 1.00 0.37 N ATOM 281 CA TYR A 15 1.800 -2.707 -8.550 1.00 0.41 C ATOM 282 C TYR A 15 2.589 -3.939 -9.005 1.00 0.43 C ATOM 283 O TYR A 15 2.750 -4.183 -10.184 1.00 0.58 O ATOM 284 CB TYR A 15 2.766 -1.666 -7.981 1.00 0.42 C ATOM 285 CG TYR A 15 2.485 -0.321 -8.608 1.00 0.75 C ATOM 286 CD1 TYR A 15 1.174 0.166 -8.661 1.00 1.65 C ATOM 287 CD2 TYR A 15 3.536 0.438 -9.135 1.00 1.48 C ATOM 288 CE1 TYR A 15 0.914 1.413 -9.242 1.00 2.07 C ATOM 289 CE2 TYR A 15 3.276 1.685 -9.715 1.00 1.87 C ATOM 290 CZ TYR A 15 1.965 2.173 -9.769 1.00 1.85 C ATOM 291 OH TYR A 15 1.709 3.402 -10.341 1.00 2.42 O ATOM 0 H TYR A 15 0.889 -2.582 -6.624 1.00 0.37 H new ATOM 0 HA TYR A 15 1.267 -2.284 -9.402 1.00 0.41 H new ATOM 0 HB2 TYR A 15 2.655 -1.605 -6.898 1.00 0.42 H new ATOM 0 HB3 TYR A 15 3.796 -1.963 -8.179 1.00 0.42 H new ATOM 0 HD1 TYR A 15 0.363 -0.420 -8.254 1.00 1.65 H new ATOM 0 HD2 TYR A 15 4.547 0.062 -9.094 1.00 1.48 H new ATOM 0 HE1 TYR A 15 -0.098 1.789 -9.284 1.00 2.07 H new ATOM 0 HE2 TYR A 15 4.087 2.271 -10.121 1.00 1.87 H new ATOM 0 HH TYR A 15 2.549 3.798 -10.656 1.00 2.42 H new ATOM 301 N LYS A 16 3.084 -4.715 -8.079 1.00 0.37 N ATOM 302 CA LYS A 16 3.863 -5.928 -8.460 1.00 0.44 C ATOM 303 C LYS A 16 2.955 -6.909 -9.206 1.00 0.47 C ATOM 304 O LYS A 16 3.300 -7.415 -10.254 1.00 0.58 O ATOM 305 CB LYS A 16 4.412 -6.598 -7.199 1.00 0.48 C ATOM 306 CG LYS A 16 5.708 -7.337 -7.536 1.00 0.85 C ATOM 307 CD LYS A 16 6.908 -6.471 -7.147 1.00 1.08 C ATOM 308 CE LYS A 16 8.147 -6.940 -7.912 1.00 1.31 C ATOM 309 NZ LYS A 16 9.346 -6.212 -7.410 1.00 1.82 N ATOM 0 H LYS A 16 2.983 -4.562 -7.076 1.00 0.37 H new ATOM 0 HA LYS A 16 4.690 -5.638 -9.108 1.00 0.44 H new ATOM 0 HB2 LYS A 16 4.598 -5.850 -6.428 1.00 0.48 H new ATOM 0 HB3 LYS A 16 3.678 -7.295 -6.796 1.00 0.48 H new ATOM 0 HG2 LYS A 16 5.745 -8.288 -7.004 1.00 0.85 H new ATOM 0 HG3 LYS A 16 5.742 -7.566 -8.601 1.00 0.85 H new ATOM 0 HD2 LYS A 16 6.703 -5.425 -7.373 1.00 1.08 H new ATOM 0 HD3 LYS A 16 7.084 -6.537 -6.073 1.00 1.08 H new ATOM 0 HE2 LYS A 16 8.281 -8.014 -7.785 1.00 1.31 H new ATOM 0 HE3 LYS A 16 8.019 -6.759 -8.979 1.00 1.31 H new ATOM 0 HZ1 LYS A 16 10.206 -6.724 -7.692 1.00 1.82 H new ATOM 0 HZ2 LYS A 16 9.365 -5.254 -7.814 1.00 1.82 H new ATOM 0 HZ3 LYS A 16 9.305 -6.149 -6.373 1.00 1.82 H new ATOM 323 N LEU A 17 1.796 -7.182 -8.672 1.00 0.48 N ATOM 324 CA LEU A 17 0.867 -8.130 -9.350 1.00 0.58 C ATOM 325 C LEU A 17 0.571 -7.648 -10.776 1.00 0.64 C ATOM 326 O LEU A 17 0.188 -8.422 -11.630 1.00 0.87 O ATOM 327 CB LEU A 17 -0.442 -8.214 -8.559 1.00 0.87 C ATOM 328 CG LEU A 17 -0.304 -9.255 -7.446 1.00 0.46 C ATOM 329 CD1 LEU A 17 -1.526 -9.195 -6.529 1.00 0.62 C ATOM 330 CD2 LEU A 17 -0.212 -10.651 -8.062 1.00 1.24 C ATOM 0 H LEU A 17 1.452 -6.790 -7.796 1.00 0.48 H new ATOM 0 HA LEU A 17 1.333 -9.114 -9.396 1.00 0.58 H new ATOM 0 HB2 LEU A 17 -0.684 -7.241 -8.132 1.00 0.87 H new ATOM 0 HB3 LEU A 17 -1.263 -8.484 -9.223 1.00 0.87 H new ATOM 0 HG LEU A 17 0.597 -9.045 -6.870 1.00 0.46 H new ATOM 0 HD11 LEU A 17 -1.424 -9.938 -5.738 1.00 0.62 H new ATOM 0 HD12 LEU A 17 -1.601 -8.202 -6.087 1.00 0.62 H new ATOM 0 HD13 LEU A 17 -2.426 -9.403 -7.108 1.00 0.62 H new ATOM 0 HD21 LEU A 17 -0.114 -11.393 -7.269 1.00 1.24 H new ATOM 0 HD22 LEU A 17 -1.114 -10.854 -8.639 1.00 1.24 H new ATOM 0 HD23 LEU A 17 0.657 -10.703 -8.717 1.00 1.24 H new ATOM 342 N SER A 18 0.740 -6.379 -11.045 1.00 0.65 N ATOM 343 CA SER A 18 0.462 -5.866 -12.418 1.00 0.85 C ATOM 344 C SER A 18 1.515 -6.400 -13.391 1.00 1.01 C ATOM 345 O SER A 18 1.211 -6.760 -14.511 1.00 1.28 O ATOM 346 CB SER A 18 0.507 -4.339 -12.414 1.00 0.95 C ATOM 347 OG SER A 18 0.023 -3.856 -11.168 1.00 1.45 O ATOM 0 H SER A 18 1.057 -5.678 -10.375 1.00 0.65 H new ATOM 0 HA SER A 18 -0.527 -6.201 -12.732 1.00 0.85 H new ATOM 0 HB2 SER A 18 1.528 -3.994 -12.579 1.00 0.95 H new ATOM 0 HB3 SER A 18 -0.099 -3.944 -13.230 1.00 0.95 H new ATOM 0 HG SER A 18 -0.304 -4.607 -10.630 1.00 1.45 H new ATOM 353 N GLN A 19 2.751 -6.452 -12.973 1.00 1.08 N ATOM 354 CA GLN A 19 3.824 -6.962 -13.873 1.00 1.43 C ATOM 355 C GLN A 19 3.433 -8.344 -14.398 1.00 1.32 C ATOM 356 O GLN A 19 3.788 -8.727 -15.495 1.00 1.61 O ATOM 357 CB GLN A 19 5.137 -7.066 -13.094 1.00 1.69 C ATOM 358 CG GLN A 19 6.049 -5.901 -13.477 1.00 1.77 C ATOM 359 CD GLN A 19 7.489 -6.225 -13.076 1.00 1.96 C ATOM 360 OE1 GLN A 19 7.823 -6.218 -11.908 1.00 2.46 O ATOM 361 NE2 GLN A 19 8.363 -6.512 -14.002 1.00 2.36 N ATOM 0 H GLN A 19 3.064 -6.163 -12.046 1.00 1.08 H new ATOM 0 HA GLN A 19 3.952 -6.277 -14.711 1.00 1.43 H new ATOM 0 HB2 GLN A 19 4.939 -7.050 -12.022 1.00 1.69 H new ATOM 0 HB3 GLN A 19 5.628 -8.014 -13.313 1.00 1.69 H new ATOM 0 HG2 GLN A 19 5.992 -5.718 -14.550 1.00 1.77 H new ATOM 0 HG3 GLN A 19 5.719 -4.989 -12.980 1.00 1.77 H new ATOM 0 HE21 GLN A 19 8.083 -6.518 -14.983 1.00 2.36 H new ATOM 0 HE22 GLN A 19 9.326 -6.730 -13.745 1.00 2.36 H new ATOM 370 N LYS A 20 2.702 -9.094 -13.622 1.00 1.00 N ATOM 371 CA LYS A 20 2.284 -10.451 -14.072 1.00 1.05 C ATOM 372 C LYS A 20 0.968 -10.349 -14.848 1.00 1.32 C ATOM 373 O LYS A 20 0.686 -11.149 -15.718 1.00 1.63 O ATOM 374 CB LYS A 20 2.087 -11.355 -12.853 1.00 0.96 C ATOM 375 CG LYS A 20 3.420 -11.526 -12.123 1.00 1.04 C ATOM 376 CD LYS A 20 4.038 -12.875 -12.498 1.00 1.33 C ATOM 377 CE LYS A 20 5.508 -12.677 -12.872 1.00 1.51 C ATOM 378 NZ LYS A 20 6.198 -13.998 -12.892 1.00 1.98 N ATOM 0 H LYS A 20 2.375 -8.825 -12.694 1.00 1.00 H new ATOM 0 HA LYS A 20 3.055 -10.873 -14.717 1.00 1.05 H new ATOM 0 HB2 LYS A 20 1.346 -10.921 -12.182 1.00 0.96 H new ATOM 0 HB3 LYS A 20 1.704 -12.327 -13.166 1.00 0.96 H new ATOM 0 HG2 LYS A 20 4.099 -10.716 -12.389 1.00 1.04 H new ATOM 0 HG3 LYS A 20 3.266 -11.471 -11.045 1.00 1.04 H new ATOM 0 HD2 LYS A 20 3.955 -13.570 -11.662 1.00 1.33 H new ATOM 0 HD3 LYS A 20 3.495 -13.316 -13.334 1.00 1.33 H new ATOM 0 HE2 LYS A 20 5.585 -12.200 -13.849 1.00 1.51 H new ATOM 0 HE3 LYS A 20 5.991 -12.013 -12.154 1.00 1.51 H new ATOM 0 HZ1 LYS A 20 7.197 -13.864 -13.146 1.00 1.98 H new ATOM 0 HZ2 LYS A 20 6.136 -14.436 -11.951 1.00 1.98 H new ATOM 0 HZ3 LYS A 20 5.743 -14.617 -13.593 1.00 1.98 H new ATOM 392 N GLY A 21 0.159 -9.370 -14.541 1.00 1.35 N ATOM 393 CA GLY A 21 -1.137 -9.221 -15.263 1.00 1.80 C ATOM 394 C GLY A 21 -2.293 -9.318 -14.267 1.00 1.41 C ATOM 395 O GLY A 21 -3.340 -8.731 -14.457 1.00 1.90 O ATOM 0 H GLY A 21 0.340 -8.669 -13.823 1.00 1.35 H new ATOM 0 HA2 GLY A 21 -1.169 -8.262 -15.780 1.00 1.80 H new ATOM 0 HA3 GLY A 21 -1.233 -9.996 -16.023 1.00 1.80 H new ATOM 399 N TYR A 22 -2.114 -10.056 -13.205 1.00 0.88 N ATOM 400 CA TYR A 22 -3.204 -10.190 -12.198 1.00 0.84 C ATOM 401 C TYR A 22 -3.625 -8.801 -11.711 1.00 1.04 C ATOM 402 O TYR A 22 -2.916 -7.830 -11.884 1.00 1.77 O ATOM 403 CB TYR A 22 -2.702 -11.014 -11.010 1.00 1.10 C ATOM 404 CG TYR A 22 -2.692 -12.478 -11.380 1.00 0.84 C ATOM 405 CD1 TYR A 22 -1.573 -13.032 -12.013 1.00 1.41 C ATOM 406 CD2 TYR A 22 -3.801 -13.281 -11.090 1.00 1.36 C ATOM 407 CE1 TYR A 22 -1.563 -14.389 -12.356 1.00 1.40 C ATOM 408 CE2 TYR A 22 -3.791 -14.639 -11.433 1.00 1.37 C ATOM 409 CZ TYR A 22 -2.672 -15.193 -12.066 1.00 0.84 C ATOM 410 OH TYR A 22 -2.662 -16.531 -12.403 1.00 1.07 O ATOM 0 H TYR A 22 -1.260 -10.572 -12.992 1.00 0.88 H new ATOM 0 HA TYR A 22 -4.059 -10.690 -12.654 1.00 0.84 H new ATOM 0 HB2 TYR A 22 -1.699 -10.692 -10.729 1.00 1.10 H new ATOM 0 HB3 TYR A 22 -3.344 -10.851 -10.144 1.00 1.10 H new ATOM 0 HD1 TYR A 22 -0.717 -12.412 -12.237 1.00 1.41 H new ATOM 0 HD2 TYR A 22 -4.664 -12.854 -10.602 1.00 1.36 H new ATOM 0 HE1 TYR A 22 -0.700 -14.816 -12.844 1.00 1.40 H new ATOM 0 HE2 TYR A 22 -4.647 -15.259 -11.209 1.00 1.37 H new ATOM 0 HH TYR A 22 -1.816 -16.934 -12.116 1.00 1.07 H new ATOM 420 N SER A 23 -4.775 -8.700 -11.102 1.00 0.98 N ATOM 421 CA SER A 23 -5.242 -7.376 -10.603 1.00 1.15 C ATOM 422 C SER A 23 -5.622 -7.496 -9.125 1.00 1.01 C ATOM 423 O SER A 23 -6.101 -8.519 -8.680 1.00 1.21 O ATOM 424 CB SER A 23 -6.463 -6.929 -11.409 1.00 1.41 C ATOM 425 OG SER A 23 -6.065 -5.950 -12.360 1.00 2.04 O ATOM 0 H SER A 23 -5.412 -9.478 -10.929 1.00 0.98 H new ATOM 0 HA SER A 23 -4.444 -6.642 -10.716 1.00 1.15 H new ATOM 0 HB2 SER A 23 -6.912 -7.784 -11.916 1.00 1.41 H new ATOM 0 HB3 SER A 23 -7.222 -6.519 -10.743 1.00 1.41 H new ATOM 0 HG SER A 23 -6.845 -5.663 -12.879 1.00 2.04 H new ATOM 431 N TRP A 24 -5.411 -6.459 -8.361 1.00 0.86 N ATOM 432 CA TRP A 24 -5.761 -6.519 -6.913 1.00 0.74 C ATOM 433 C TRP A 24 -7.280 -6.441 -6.748 1.00 0.81 C ATOM 434 O TRP A 24 -7.844 -7.012 -5.836 1.00 1.50 O ATOM 435 CB TRP A 24 -5.107 -5.348 -6.179 1.00 0.70 C ATOM 436 CG TRP A 24 -5.483 -5.401 -4.733 1.00 0.58 C ATOM 437 CD1 TRP A 24 -6.628 -4.907 -4.212 1.00 0.56 C ATOM 438 CD2 TRP A 24 -4.739 -5.973 -3.619 1.00 0.53 C ATOM 439 NE1 TRP A 24 -6.634 -5.135 -2.848 1.00 0.50 N ATOM 440 CE2 TRP A 24 -5.491 -5.791 -2.435 1.00 0.48 C ATOM 441 CE3 TRP A 24 -3.496 -6.625 -3.521 1.00 0.58 C ATOM 442 CZ2 TRP A 24 -5.028 -6.239 -1.197 1.00 0.49 C ATOM 443 CZ3 TRP A 24 -3.027 -7.078 -2.277 1.00 0.58 C ATOM 444 CH2 TRP A 24 -3.792 -6.885 -1.118 1.00 0.54 C ATOM 0 H TRP A 24 -5.012 -5.575 -8.676 1.00 0.86 H new ATOM 0 HA TRP A 24 -5.399 -7.458 -6.493 1.00 0.74 H new ATOM 0 HB2 TRP A 24 -4.023 -5.395 -6.287 1.00 0.70 H new ATOM 0 HB3 TRP A 24 -5.430 -4.403 -6.616 1.00 0.70 H new ATOM 0 HD1 TRP A 24 -7.411 -4.414 -4.770 1.00 0.56 H new ATOM 0 HE1 TRP A 24 -7.390 -4.853 -2.224 1.00 0.50 H new ATOM 0 HE3 TRP A 24 -2.899 -6.778 -4.408 1.00 0.58 H new ATOM 0 HZ2 TRP A 24 -5.621 -6.087 -0.307 1.00 0.49 H new ATOM 0 HZ3 TRP A 24 -2.072 -7.578 -2.213 1.00 0.58 H new ATOM 0 HH2 TRP A 24 -3.426 -7.236 -0.164 1.00 0.54 H new ATOM 455 N SER A 25 -7.947 -5.740 -7.623 1.00 0.87 N ATOM 456 CA SER A 25 -9.429 -5.629 -7.513 1.00 0.89 C ATOM 457 C SER A 25 -10.066 -7.004 -7.738 1.00 1.02 C ATOM 458 O SER A 25 -11.134 -7.292 -7.236 1.00 1.44 O ATOM 459 CB SER A 25 -9.946 -4.649 -8.566 1.00 1.27 C ATOM 460 OG SER A 25 -9.375 -3.368 -8.336 1.00 1.75 O ATOM 0 H SER A 25 -7.531 -5.240 -8.408 1.00 0.87 H new ATOM 0 HA SER A 25 -9.692 -5.267 -6.519 1.00 0.89 H new ATOM 0 HB2 SER A 25 -9.688 -5.001 -9.565 1.00 1.27 H new ATOM 0 HB3 SER A 25 -11.033 -4.589 -8.520 1.00 1.27 H new ATOM 0 HG SER A 25 -9.703 -2.738 -9.011 1.00 1.75 H new ATOM 466 N GLN A 26 -9.421 -7.854 -8.490 1.00 1.26 N ATOM 467 CA GLN A 26 -9.991 -9.207 -8.747 1.00 1.57 C ATOM 468 C GLN A 26 -10.298 -9.901 -7.417 1.00 1.21 C ATOM 469 O GLN A 26 -11.188 -10.724 -7.328 1.00 1.44 O ATOM 470 CB GLN A 26 -8.982 -10.043 -9.535 1.00 2.13 C ATOM 471 CG GLN A 26 -9.648 -11.336 -10.010 1.00 2.79 C ATOM 472 CD GLN A 26 -10.341 -11.091 -11.352 1.00 3.45 C ATOM 473 OE1 GLN A 26 -10.092 -10.097 -12.004 1.00 3.81 O ATOM 474 NE2 GLN A 26 -11.208 -11.961 -11.794 1.00 4.10 N ATOM 0 H GLN A 26 -8.523 -7.670 -8.938 1.00 1.26 H new ATOM 0 HA GLN A 26 -10.912 -9.106 -9.322 1.00 1.57 H new ATOM 0 HB2 GLN A 26 -8.614 -9.476 -10.390 1.00 2.13 H new ATOM 0 HB3 GLN A 26 -8.119 -10.274 -8.910 1.00 2.13 H new ATOM 0 HG2 GLN A 26 -8.903 -12.125 -10.112 1.00 2.79 H new ATOM 0 HG3 GLN A 26 -10.373 -11.677 -9.271 1.00 2.79 H new ATOM 0 HE21 GLN A 26 -11.417 -12.796 -11.247 1.00 4.10 H new ATOM 0 HE22 GLN A 26 -11.676 -11.806 -12.687 1.00 4.10 H new ATOM 483 N PHE A 27 -9.571 -9.579 -6.381 1.00 1.06 N ATOM 484 CA PHE A 27 -9.828 -10.227 -5.064 1.00 1.01 C ATOM 485 C PHE A 27 -10.627 -9.274 -4.171 1.00 1.57 C ATOM 486 O PHE A 27 -11.780 -9.524 -3.880 1.00 2.38 O ATOM 487 CB PHE A 27 -8.496 -10.574 -4.391 1.00 0.98 C ATOM 488 CG PHE A 27 -7.414 -10.667 -5.439 1.00 0.75 C ATOM 489 CD1 PHE A 27 -7.543 -11.571 -6.500 1.00 1.41 C ATOM 490 CD2 PHE A 27 -6.282 -9.849 -5.350 1.00 1.33 C ATOM 491 CE1 PHE A 27 -6.541 -11.657 -7.473 1.00 1.54 C ATOM 492 CE2 PHE A 27 -5.279 -9.935 -6.323 1.00 1.40 C ATOM 493 CZ PHE A 27 -5.409 -10.838 -7.384 1.00 1.06 C ATOM 0 H PHE A 27 -8.812 -8.897 -6.390 1.00 1.06 H new ATOM 0 HA PHE A 27 -10.401 -11.142 -5.217 1.00 1.01 H new ATOM 0 HB2 PHE A 27 -8.239 -9.813 -3.654 1.00 0.98 H new ATOM 0 HB3 PHE A 27 -8.582 -11.520 -3.856 1.00 0.98 H new ATOM 0 HD1 PHE A 27 -8.416 -12.203 -6.568 1.00 1.41 H new ATOM 0 HD2 PHE A 27 -6.182 -9.152 -4.531 1.00 1.33 H new ATOM 0 HE1 PHE A 27 -6.641 -12.354 -8.292 1.00 1.54 H new ATOM 0 HE2 PHE A 27 -4.405 -9.304 -6.255 1.00 1.40 H new ATOM 0 HZ PHE A 27 -4.635 -10.903 -8.135 1.00 1.06 H new ATOM 503 N SER A 28 -10.010 -8.191 -3.745 1.00 1.73 N ATOM 504 CA SER A 28 -10.690 -7.178 -2.864 1.00 2.24 C ATOM 505 C SER A 28 -10.621 -7.603 -1.388 1.00 2.50 C ATOM 506 O SER A 28 -10.324 -6.800 -0.526 1.00 2.85 O ATOM 507 CB SER A 28 -12.152 -6.986 -3.278 1.00 2.89 C ATOM 508 OG SER A 28 -12.610 -5.724 -2.812 1.00 3.25 O ATOM 0 H SER A 28 -9.043 -7.962 -3.976 1.00 1.73 H new ATOM 0 HA SER A 28 -10.164 -6.231 -2.984 1.00 2.24 H new ATOM 0 HB2 SER A 28 -12.245 -7.042 -4.363 1.00 2.89 H new ATOM 0 HB3 SER A 28 -12.767 -7.785 -2.864 1.00 2.89 H new ATOM 0 HG SER A 28 -13.545 -5.597 -3.077 1.00 3.25 H new ATOM 514 N ASP A 29 -10.893 -8.846 -1.082 1.00 3.01 N ATOM 515 CA ASP A 29 -10.839 -9.292 0.341 1.00 3.76 C ATOM 516 C ASP A 29 -11.926 -8.580 1.153 1.00 4.29 C ATOM 517 O ASP A 29 -11.838 -8.470 2.359 1.00 4.82 O ATOM 518 CB ASP A 29 -9.470 -8.954 0.928 1.00 4.27 C ATOM 519 CG ASP A 29 -8.976 -10.123 1.782 1.00 4.83 C ATOM 520 OD1 ASP A 29 -8.813 -11.202 1.236 1.00 5.40 O ATOM 521 OD2 ASP A 29 -8.770 -9.920 2.967 1.00 5.08 O ATOM 0 H ASP A 29 -11.149 -9.569 -1.755 1.00 3.01 H new ATOM 0 HA ASP A 29 -11.004 -10.369 0.384 1.00 3.76 H new ATOM 0 HB2 ASP A 29 -8.760 -8.750 0.127 1.00 4.27 H new ATOM 0 HB3 ASP A 29 -9.536 -8.050 1.534 1.00 4.27 H new ATOM 526 N VAL A 30 -12.949 -8.095 0.504 1.00 4.51 N ATOM 527 CA VAL A 30 -14.033 -7.395 1.235 1.00 5.28 C ATOM 528 C VAL A 30 -15.374 -8.031 0.847 1.00 5.71 C ATOM 529 O VAL A 30 -15.445 -9.210 0.559 1.00 6.11 O ATOM 530 CB VAL A 30 -14.008 -5.913 0.851 1.00 5.83 C ATOM 531 CG1 VAL A 30 -14.451 -5.067 2.046 1.00 6.71 C ATOM 532 CG2 VAL A 30 -12.586 -5.517 0.447 1.00 5.89 C ATOM 0 H VAL A 30 -13.078 -8.156 -0.506 1.00 4.51 H new ATOM 0 HA VAL A 30 -13.896 -7.483 2.313 1.00 5.28 H new ATOM 0 HB VAL A 30 -14.686 -5.743 0.015 1.00 5.83 H new ATOM 0 HG11 VAL A 30 -14.433 -4.012 1.772 1.00 6.71 H new ATOM 0 HG12 VAL A 30 -15.463 -5.349 2.336 1.00 6.71 H new ATOM 0 HG13 VAL A 30 -13.773 -5.236 2.883 1.00 6.71 H new ATOM 0 HG21 VAL A 30 -12.566 -4.462 0.173 1.00 5.89 H new ATOM 0 HG22 VAL A 30 -11.909 -5.688 1.284 1.00 5.89 H new ATOM 0 HG23 VAL A 30 -12.269 -6.119 -0.405 1.00 5.89 H new ATOM 542 N GLU A 31 -16.436 -7.275 0.834 1.00 5.98 N ATOM 543 CA GLU A 31 -17.757 -7.856 0.462 1.00 6.73 C ATOM 544 C GLU A 31 -18.464 -6.928 -0.528 1.00 7.10 C ATOM 545 O GLU A 31 -19.619 -6.590 -0.360 1.00 7.60 O ATOM 546 CB GLU A 31 -18.617 -8.013 1.718 1.00 7.35 C ATOM 547 CG GLU A 31 -17.828 -8.772 2.787 1.00 7.66 C ATOM 548 CD GLU A 31 -17.335 -7.791 3.852 1.00 8.44 C ATOM 549 OE1 GLU A 31 -18.148 -7.356 4.650 1.00 8.83 O ATOM 550 OE2 GLU A 31 -16.152 -7.492 3.852 1.00 8.86 O ATOM 0 H GLU A 31 -16.447 -6.281 1.064 1.00 5.98 H new ATOM 0 HA GLU A 31 -17.607 -8.832 -0.000 1.00 6.73 H new ATOM 0 HB2 GLU A 31 -18.911 -7.033 2.095 1.00 7.35 H new ATOM 0 HB3 GLU A 31 -19.534 -8.550 1.478 1.00 7.35 H new ATOM 0 HG2 GLU A 31 -18.457 -9.536 3.244 1.00 7.66 H new ATOM 0 HG3 GLU A 31 -16.982 -9.287 2.332 1.00 7.66 H new ATOM 557 N GLU A 32 -17.780 -6.513 -1.560 1.00 7.14 N ATOM 558 CA GLU A 32 -18.415 -5.608 -2.559 1.00 7.72 C ATOM 559 C GLU A 32 -18.802 -4.290 -1.885 1.00 7.88 C ATOM 560 O GLU A 32 -19.900 -3.797 -2.049 1.00 8.11 O ATOM 561 CB GLU A 32 -19.668 -6.277 -3.129 1.00 7.83 C ATOM 562 CG GLU A 32 -19.367 -7.744 -3.441 1.00 8.25 C ATOM 563 CD GLU A 32 -20.076 -8.639 -2.421 1.00 9.00 C ATOM 564 OE1 GLU A 32 -21.295 -8.634 -2.405 1.00 9.32 O ATOM 565 OE2 GLU A 32 -19.386 -9.313 -1.674 1.00 9.46 O ATOM 0 H GLU A 32 -16.810 -6.762 -1.754 1.00 7.14 H new ATOM 0 HA GLU A 32 -17.710 -5.408 -3.366 1.00 7.72 H new ATOM 0 HB2 GLU A 32 -20.488 -6.207 -2.414 1.00 7.83 H new ATOM 0 HB3 GLU A 32 -19.989 -5.760 -4.033 1.00 7.83 H new ATOM 0 HG2 GLU A 32 -19.701 -7.988 -4.449 1.00 8.25 H new ATOM 0 HG3 GLU A 32 -18.292 -7.920 -3.410 1.00 8.25 H new ATOM 572 N ASN A 33 -17.908 -3.713 -1.129 1.00 8.06 N ATOM 573 CA ASN A 33 -18.226 -2.427 -0.446 1.00 8.52 C ATOM 574 C ASN A 33 -19.440 -2.617 0.467 1.00 8.44 C ATOM 575 O ASN A 33 -20.061 -3.661 0.481 1.00 8.28 O ATOM 576 CB ASN A 33 -18.542 -1.359 -1.496 1.00 9.05 C ATOM 577 CG ASN A 33 -17.610 -0.161 -1.303 1.00 9.57 C ATOM 578 OD1 ASN A 33 -16.482 -0.316 -0.882 1.00 9.79 O ATOM 579 ND2 ASN A 33 -18.038 1.037 -1.596 1.00 10.01 N ATOM 0 H ASN A 33 -16.971 -4.077 -0.955 1.00 8.06 H new ATOM 0 HA ASN A 33 -17.370 -2.112 0.151 1.00 8.52 H new ATOM 0 HB2 ASN A 33 -18.419 -1.771 -2.498 1.00 9.05 H new ATOM 0 HB3 ASN A 33 -19.581 -1.043 -1.407 1.00 9.05 H new ATOM 0 HD21 ASN A 33 -17.425 1.842 -1.471 1.00 10.01 H new ATOM 0 HD22 ASN A 33 -18.986 1.168 -1.950 1.00 10.01 H new ATOM 586 N ARG A 34 -19.782 -1.615 1.230 1.00 8.84 N ATOM 587 CA ARG A 34 -20.955 -1.736 2.141 1.00 9.10 C ATOM 588 C ARG A 34 -20.780 -2.962 3.040 1.00 9.35 C ATOM 589 O ARG A 34 -19.773 -3.641 2.991 1.00 9.37 O ATOM 590 CB ARG A 34 -22.231 -1.892 1.312 1.00 9.47 C ATOM 591 CG ARG A 34 -22.555 -0.568 0.618 1.00 9.88 C ATOM 592 CD ARG A 34 -24.060 -0.482 0.359 1.00 10.31 C ATOM 593 NE ARG A 34 -24.427 -1.408 -0.750 1.00 10.74 N ATOM 594 CZ ARG A 34 -23.786 -1.353 -1.886 1.00 11.32 C ATOM 595 NH1 ARG A 34 -23.346 -0.209 -2.333 1.00 11.76 N ATOM 596 NH2 ARG A 34 -23.587 -2.443 -2.575 1.00 11.63 N ATOM 0 H ARG A 34 -19.299 -0.717 1.262 1.00 8.84 H new ATOM 0 HA ARG A 34 -21.028 -0.840 2.758 1.00 9.10 H new ATOM 0 HB2 ARG A 34 -22.101 -2.681 0.571 1.00 9.47 H new ATOM 0 HB3 ARG A 34 -23.060 -2.191 1.954 1.00 9.47 H new ATOM 0 HG2 ARG A 34 -22.234 0.268 1.239 1.00 9.88 H new ATOM 0 HG3 ARG A 34 -22.009 -0.495 -0.322 1.00 9.88 H new ATOM 0 HD2 ARG A 34 -24.611 -0.743 1.263 1.00 10.31 H new ATOM 0 HD3 ARG A 34 -24.338 0.540 0.101 1.00 10.31 H new ATOM 0 HE ARG A 34 -25.179 -2.085 -0.621 1.00 10.74 H new ATOM 0 HH11 ARG A 34 -23.503 0.643 -1.795 1.00 11.76 H new ATOM 0 HH12 ARG A 34 -22.845 -0.167 -3.221 1.00 11.76 H new ATOM 0 HH21 ARG A 34 -23.932 -3.337 -2.226 1.00 11.63 H new ATOM 0 HH22 ARG A 34 -23.086 -2.401 -3.463 1.00 11.63 H new ATOM 610 N THR A 35 -21.754 -3.251 3.860 1.00 9.80 N ATOM 611 CA THR A 35 -21.642 -4.434 4.759 1.00 10.35 C ATOM 612 C THR A 35 -21.357 -5.681 3.921 1.00 10.61 C ATOM 613 O THR A 35 -20.301 -6.275 4.015 1.00 11.02 O ATOM 614 CB THR A 35 -22.955 -4.619 5.524 1.00 10.99 C ATOM 615 OG1 THR A 35 -23.523 -3.347 5.803 1.00 11.15 O ATOM 616 CG2 THR A 35 -22.685 -5.358 6.835 1.00 11.64 C ATOM 0 H THR A 35 -22.621 -2.720 3.946 1.00 9.80 H new ATOM 0 HA THR A 35 -20.829 -4.279 5.468 1.00 10.35 H new ATOM 0 HB THR A 35 -23.649 -5.202 4.918 1.00 10.99 H new ATOM 0 HG1 THR A 35 -24.365 -3.465 6.291 1.00 11.15 H new ATOM 0 HG21 THR A 35 -23.621 -5.489 7.378 1.00 11.64 H new ATOM 0 HG22 THR A 35 -22.251 -6.334 6.620 1.00 11.64 H new ATOM 0 HG23 THR A 35 -21.990 -4.778 7.443 1.00 11.64 H new ATOM 624 N GLU A 36 -22.288 -6.080 3.099 1.00 10.59 N ATOM 625 CA GLU A 36 -22.067 -7.287 2.253 1.00 11.05 C ATOM 626 C GLU A 36 -22.913 -7.189 0.979 1.00 10.70 C ATOM 627 O GLU A 36 -23.247 -8.187 0.371 1.00 10.48 O ATOM 628 CB GLU A 36 -22.468 -8.539 3.036 1.00 11.67 C ATOM 629 CG GLU A 36 -21.375 -9.600 2.898 1.00 12.45 C ATOM 630 CD GLU A 36 -21.747 -10.828 3.731 1.00 13.06 C ATOM 631 OE1 GLU A 36 -22.889 -10.909 4.152 1.00 13.53 O ATOM 632 OE2 GLU A 36 -20.884 -11.666 3.933 1.00 13.21 O ATOM 0 H GLU A 36 -23.192 -5.623 2.976 1.00 10.59 H new ATOM 0 HA GLU A 36 -21.013 -7.348 1.981 1.00 11.05 H new ATOM 0 HB2 GLU A 36 -22.618 -8.291 4.087 1.00 11.67 H new ATOM 0 HB3 GLU A 36 -23.415 -8.927 2.662 1.00 11.67 H new ATOM 0 HG2 GLU A 36 -21.255 -9.880 1.851 1.00 12.45 H new ATOM 0 HG3 GLU A 36 -20.419 -9.197 3.231 1.00 12.45 H new ATOM 639 N ALA A 37 -23.257 -5.996 0.570 1.00 10.86 N ATOM 640 CA ALA A 37 -24.078 -5.831 -0.665 1.00 10.79 C ATOM 641 C ALA A 37 -25.330 -6.709 -0.581 1.00 11.37 C ATOM 642 O ALA A 37 -25.453 -7.682 -1.297 1.00 11.62 O ATOM 643 CB ALA A 37 -23.249 -6.242 -1.883 1.00 10.44 C ATOM 0 H ALA A 37 -23.004 -5.127 1.040 1.00 10.86 H new ATOM 0 HA ALA A 37 -24.379 -4.788 -0.759 1.00 10.79 H new ATOM 0 HB1 ALA A 37 -23.846 -6.122 -2.787 1.00 10.44 H new ATOM 0 HB2 ALA A 37 -22.362 -5.612 -1.949 1.00 10.44 H new ATOM 0 HB3 ALA A 37 -22.947 -7.285 -1.783 1.00 10.44 H new ATOM 649 N PRO A 38 -26.225 -6.332 0.297 1.00 11.75 N ATOM 650 CA PRO A 38 -27.487 -7.047 0.519 1.00 12.48 C ATOM 651 C PRO A 38 -28.568 -6.624 -0.489 1.00 12.56 C ATOM 652 O PRO A 38 -29.738 -6.888 -0.291 1.00 12.38 O ATOM 653 CB PRO A 38 -27.919 -6.663 1.925 1.00 12.95 C ATOM 654 CG PRO A 38 -27.292 -5.254 2.111 1.00 12.48 C ATOM 655 CD PRO A 38 -26.061 -5.151 1.169 1.00 11.69 C ATOM 0 HA PRO A 38 -27.352 -8.121 0.394 1.00 12.48 H new ATOM 0 HB2 PRO A 38 -29.004 -6.637 2.021 1.00 12.95 H new ATOM 0 HB3 PRO A 38 -27.550 -7.370 2.668 1.00 12.95 H new ATOM 0 HG2 PRO A 38 -28.020 -4.478 1.874 1.00 12.48 H new ATOM 0 HG3 PRO A 38 -26.992 -5.104 3.148 1.00 12.48 H new ATOM 0 HD2 PRO A 38 -26.063 -4.222 0.599 1.00 11.69 H new ATOM 0 HD3 PRO A 38 -25.123 -5.183 1.723 1.00 11.69 H new ATOM 663 N GLU A 39 -28.196 -5.979 -1.559 1.00 13.00 N ATOM 664 CA GLU A 39 -29.207 -5.548 -2.569 1.00 13.27 C ATOM 665 C GLU A 39 -30.322 -4.757 -1.881 1.00 13.38 C ATOM 666 O GLU A 39 -31.463 -5.173 -1.854 1.00 13.29 O ATOM 667 CB GLU A 39 -29.803 -6.780 -3.252 1.00 13.49 C ATOM 668 CG GLU A 39 -29.044 -7.062 -4.550 1.00 13.73 C ATOM 669 CD GLU A 39 -30.043 -7.343 -5.674 1.00 14.04 C ATOM 670 OE1 GLU A 39 -31.040 -6.643 -5.743 1.00 14.17 O ATOM 671 OE2 GLU A 39 -29.793 -8.252 -6.448 1.00 14.29 O ATOM 0 H GLU A 39 -27.232 -5.730 -1.780 1.00 13.00 H new ATOM 0 HA GLU A 39 -28.724 -4.915 -3.314 1.00 13.27 H new ATOM 0 HB2 GLU A 39 -29.742 -7.642 -2.588 1.00 13.49 H new ATOM 0 HB3 GLU A 39 -30.859 -6.616 -3.464 1.00 13.49 H new ATOM 0 HG2 GLU A 39 -28.418 -6.209 -4.810 1.00 13.73 H new ATOM 0 HG3 GLU A 39 -28.380 -7.916 -4.417 1.00 13.73 H new ATOM 678 N GLY A 40 -30.003 -3.621 -1.325 1.00 13.75 N ATOM 679 CA GLY A 40 -31.050 -2.810 -0.641 1.00 14.06 C ATOM 680 C GLY A 40 -30.427 -1.527 -0.088 1.00 14.30 C ATOM 681 O GLY A 40 -30.497 -1.251 1.093 1.00 14.57 O ATOM 0 H GLY A 40 -29.065 -3.220 -1.314 1.00 13.75 H new ATOM 0 HA2 GLY A 40 -31.849 -2.566 -1.340 1.00 14.06 H new ATOM 0 HA3 GLY A 40 -31.499 -3.386 0.168 1.00 14.06 H new ATOM 685 N THR A 41 -29.817 -0.741 -0.932 1.00 14.37 N ATOM 686 CA THR A 41 -29.192 0.523 -0.452 1.00 14.76 C ATOM 687 C THR A 41 -29.314 1.598 -1.534 1.00 14.83 C ATOM 688 O THR A 41 -29.714 2.715 -1.269 1.00 15.09 O ATOM 689 CB THR A 41 -27.714 0.275 -0.140 1.00 15.14 C ATOM 690 OG1 THR A 41 -27.590 -0.901 0.647 1.00 15.18 O ATOM 691 CG2 THR A 41 -27.145 1.469 0.628 1.00 15.29 C ATOM 0 H THR A 41 -29.725 -0.919 -1.932 1.00 14.37 H new ATOM 0 HA THR A 41 -29.702 0.860 0.451 1.00 14.76 H new ATOM 0 HB THR A 41 -27.161 0.150 -1.071 1.00 15.14 H new ATOM 0 HG1 THR A 41 -26.674 -1.243 0.583 1.00 15.18 H new ATOM 0 HG21 THR A 41 -26.093 1.291 0.850 1.00 15.29 H new ATOM 0 HG22 THR A 41 -27.241 2.370 0.023 1.00 15.29 H new ATOM 0 HG23 THR A 41 -27.695 1.598 1.560 1.00 15.29 H new ATOM 699 N GLU A 42 -28.975 1.274 -2.753 1.00 14.76 N ATOM 700 CA GLU A 42 -29.076 2.283 -3.845 1.00 15.00 C ATOM 701 C GLU A 42 -29.504 1.598 -5.145 1.00 15.23 C ATOM 702 O GLU A 42 -29.283 0.420 -5.336 1.00 15.45 O ATOM 703 CB GLU A 42 -27.715 2.955 -4.048 1.00 15.36 C ATOM 704 CG GLU A 42 -26.648 1.888 -4.306 1.00 15.59 C ATOM 705 CD GLU A 42 -26.111 1.367 -2.972 1.00 15.95 C ATOM 706 OE1 GLU A 42 -25.966 2.166 -2.061 1.00 16.19 O ATOM 707 OE2 GLU A 42 -25.853 0.178 -2.883 1.00 16.11 O ATOM 0 H GLU A 42 -28.633 0.356 -3.039 1.00 14.76 H new ATOM 0 HA GLU A 42 -29.817 3.034 -3.572 1.00 15.00 H new ATOM 0 HB2 GLU A 42 -27.762 3.647 -4.889 1.00 15.36 H new ATOM 0 HB3 GLU A 42 -27.452 3.541 -3.167 1.00 15.36 H new ATOM 0 HG2 GLU A 42 -27.072 1.067 -4.884 1.00 15.59 H new ATOM 0 HG3 GLU A 42 -25.835 2.308 -4.898 1.00 15.59 H new ATOM 714 N SER A 43 -30.115 2.339 -6.036 1.00 15.34 N ATOM 715 CA SER A 43 -30.571 1.763 -7.339 1.00 15.72 C ATOM 716 C SER A 43 -31.807 0.882 -7.128 1.00 15.93 C ATOM 717 O SER A 43 -32.071 -0.022 -7.895 1.00 15.87 O ATOM 718 CB SER A 43 -29.449 0.934 -7.970 1.00 15.67 C ATOM 719 OG SER A 43 -29.665 0.840 -9.371 1.00 16.14 O ATOM 0 H SER A 43 -30.320 3.331 -5.914 1.00 15.34 H new ATOM 0 HA SER A 43 -30.830 2.583 -8.008 1.00 15.72 H new ATOM 0 HB2 SER A 43 -28.483 1.397 -7.770 1.00 15.67 H new ATOM 0 HB3 SER A 43 -29.424 -0.062 -7.527 1.00 15.67 H new ATOM 0 HG SER A 43 -30.565 0.491 -9.541 1.00 16.14 H new ATOM 725 N GLU A 44 -32.575 1.141 -6.103 1.00 16.30 N ATOM 726 CA GLU A 44 -33.797 0.317 -5.866 1.00 16.66 C ATOM 727 C GLU A 44 -34.789 1.069 -4.965 1.00 16.98 C ATOM 728 O GLU A 44 -35.987 0.971 -5.140 1.00 17.12 O ATOM 729 CB GLU A 44 -33.416 -1.041 -5.247 1.00 16.89 C ATOM 730 CG GLU A 44 -32.995 -0.904 -3.775 1.00 17.16 C ATOM 731 CD GLU A 44 -31.580 -0.335 -3.692 1.00 17.34 C ATOM 732 OE1 GLU A 44 -30.650 -1.085 -3.937 1.00 17.50 O ATOM 733 OE2 GLU A 44 -31.450 0.836 -3.378 1.00 17.44 O ATOM 0 H GLU A 44 -32.411 1.883 -5.423 1.00 16.30 H new ATOM 0 HA GLU A 44 -34.283 0.133 -6.824 1.00 16.66 H new ATOM 0 HB2 GLU A 44 -34.263 -1.723 -5.320 1.00 16.89 H new ATOM 0 HB3 GLU A 44 -32.600 -1.484 -5.818 1.00 16.89 H new ATOM 0 HG2 GLU A 44 -33.691 -0.251 -3.248 1.00 17.16 H new ATOM 0 HG3 GLU A 44 -33.035 -1.876 -3.284 1.00 17.16 H new ATOM 740 N MET A 45 -34.311 1.818 -4.003 1.00 17.20 N ATOM 741 CA MET A 45 -35.240 2.562 -3.107 1.00 17.63 C ATOM 742 C MET A 45 -36.223 1.584 -2.460 1.00 17.34 C ATOM 743 O MET A 45 -36.190 0.396 -2.710 1.00 17.14 O ATOM 744 CB MET A 45 -36.014 3.601 -3.922 1.00 18.16 C ATOM 745 CG MET A 45 -35.043 4.651 -4.465 1.00 18.75 C ATOM 746 SD MET A 45 -34.925 6.026 -3.293 1.00 19.46 S ATOM 747 CE MET A 45 -33.317 6.651 -3.839 1.00 19.96 C ATOM 0 H MET A 45 -33.319 1.945 -3.802 1.00 17.20 H new ATOM 0 HA MET A 45 -34.666 3.065 -2.329 1.00 17.63 H new ATOM 0 HB2 MET A 45 -36.539 3.116 -4.745 1.00 18.16 H new ATOM 0 HB3 MET A 45 -36.770 4.078 -3.299 1.00 18.16 H new ATOM 0 HG2 MET A 45 -34.060 4.207 -4.621 1.00 18.75 H new ATOM 0 HG3 MET A 45 -35.387 5.013 -5.434 1.00 18.75 H new ATOM 0 HE1 MET A 45 -33.041 7.518 -3.239 1.00 19.96 H new ATOM 0 HE2 MET A 45 -32.564 5.872 -3.718 1.00 19.96 H new ATOM 0 HE3 MET A 45 -33.376 6.939 -4.889 1.00 19.96 H new ATOM 757 N GLU A 46 -37.100 2.075 -1.627 1.00 17.42 N ATOM 758 CA GLU A 46 -38.084 1.174 -0.965 1.00 17.27 C ATOM 759 C GLU A 46 -39.497 1.710 -1.193 1.00 17.47 C ATOM 760 O GLU A 46 -40.374 1.550 -0.367 1.00 17.85 O ATOM 761 CB GLU A 46 -37.795 1.119 0.537 1.00 17.23 C ATOM 762 CG GLU A 46 -38.060 -0.295 1.057 1.00 17.11 C ATOM 763 CD GLU A 46 -36.737 -0.949 1.456 1.00 17.36 C ATOM 764 OE1 GLU A 46 -36.185 -0.553 2.470 1.00 17.53 O ATOM 765 OE2 GLU A 46 -36.297 -1.835 0.742 1.00 17.49 O ATOM 0 H GLU A 46 -37.177 3.061 -1.377 1.00 17.42 H new ATOM 0 HA GLU A 46 -38.002 0.172 -1.387 1.00 17.27 H new ATOM 0 HB2 GLU A 46 -36.760 1.400 0.729 1.00 17.23 H new ATOM 0 HB3 GLU A 46 -38.424 1.836 1.065 1.00 17.23 H new ATOM 0 HG2 GLU A 46 -38.733 -0.258 1.914 1.00 17.11 H new ATOM 0 HG3 GLU A 46 -38.554 -0.890 0.289 1.00 17.11 H new ATOM 772 N THR A 47 -39.726 2.348 -2.308 1.00 17.34 N ATOM 773 CA THR A 47 -41.082 2.896 -2.588 1.00 17.66 C ATOM 774 C THR A 47 -41.687 2.157 -3.796 1.00 17.63 C ATOM 775 O THR A 47 -41.042 2.047 -4.819 1.00 17.40 O ATOM 776 CB THR A 47 -40.960 4.384 -2.918 1.00 17.80 C ATOM 777 OG1 THR A 47 -39.746 4.888 -2.378 1.00 18.08 O ATOM 778 CG2 THR A 47 -42.141 5.143 -2.316 1.00 17.90 C ATOM 0 H THR A 47 -39.032 2.513 -3.037 1.00 17.34 H new ATOM 0 HA THR A 47 -41.723 2.762 -1.717 1.00 17.66 H new ATOM 0 HB THR A 47 -40.961 4.517 -4.000 1.00 17.80 H new ATOM 0 HG1 THR A 47 -39.665 5.841 -2.590 1.00 18.08 H new ATOM 0 HG21 THR A 47 -42.051 6.203 -2.553 1.00 17.90 H new ATOM 0 HG22 THR A 47 -43.072 4.756 -2.731 1.00 17.90 H new ATOM 0 HG23 THR A 47 -42.144 5.012 -1.234 1.00 17.90 H new ATOM 786 N PRO A 48 -42.904 1.670 -3.659 1.00 17.97 N ATOM 787 CA PRO A 48 -43.582 0.948 -4.742 1.00 18.11 C ATOM 788 C PRO A 48 -43.519 1.770 -6.034 1.00 18.01 C ATOM 789 O PRO A 48 -42.831 1.411 -6.969 1.00 18.19 O ATOM 790 CB PRO A 48 -45.027 0.761 -4.286 1.00 18.65 C ATOM 791 CG PRO A 48 -44.914 0.844 -2.745 1.00 18.85 C ATOM 792 CD PRO A 48 -43.723 1.781 -2.430 1.00 18.41 C ATOM 0 HA PRO A 48 -43.111 -0.013 -4.948 1.00 18.11 H new ATOM 0 HB2 PRO A 48 -45.681 1.536 -4.686 1.00 18.65 H new ATOM 0 HB3 PRO A 48 -45.433 -0.197 -4.611 1.00 18.65 H new ATOM 0 HG2 PRO A 48 -45.835 1.232 -2.311 1.00 18.85 H new ATOM 0 HG3 PRO A 48 -44.751 -0.145 -2.316 1.00 18.85 H new ATOM 0 HD2 PRO A 48 -44.048 2.805 -2.248 1.00 18.41 H new ATOM 0 HD3 PRO A 48 -43.175 1.459 -1.545 1.00 18.41 H new ATOM 800 N SER A 49 -44.226 2.873 -6.092 1.00 17.86 N ATOM 801 CA SER A 49 -44.201 3.717 -7.324 1.00 17.90 C ATOM 802 C SER A 49 -45.260 4.822 -7.225 1.00 18.00 C ATOM 803 O SER A 49 -45.895 5.163 -8.202 1.00 18.34 O ATOM 804 CB SER A 49 -44.501 2.851 -8.549 1.00 18.01 C ATOM 805 OG SER A 49 -45.453 1.855 -8.197 1.00 17.99 O ATOM 0 H SER A 49 -44.818 3.223 -5.339 1.00 17.86 H new ATOM 0 HA SER A 49 -43.213 4.166 -7.421 1.00 17.90 H new ATOM 0 HB2 SER A 49 -44.887 3.469 -9.360 1.00 18.01 H new ATOM 0 HB3 SER A 49 -43.585 2.384 -8.912 1.00 18.01 H new ATOM 0 HG SER A 49 -45.649 1.299 -8.980 1.00 17.99 H new ATOM 811 N ALA A 50 -45.456 5.386 -6.060 1.00 17.83 N ATOM 812 CA ALA A 50 -46.477 6.467 -5.920 1.00 18.03 C ATOM 813 C ALA A 50 -46.630 6.851 -4.445 1.00 18.13 C ATOM 814 O ALA A 50 -46.111 7.859 -4.010 1.00 18.24 O ATOM 815 CB ALA A 50 -47.824 5.975 -6.456 1.00 18.13 C ATOM 0 H ALA A 50 -44.956 5.146 -5.204 1.00 17.83 H new ATOM 0 HA ALA A 50 -46.152 7.338 -6.489 1.00 18.03 H new ATOM 0 HB1 ALA A 50 -48.567 6.765 -6.353 1.00 18.13 H new ATOM 0 HB2 ALA A 50 -47.722 5.708 -7.508 1.00 18.13 H new ATOM 0 HB3 ALA A 50 -48.143 5.100 -5.889 1.00 18.13 H new ATOM 821 N ILE A 51 -47.342 6.044 -3.685 1.00 18.23 N ATOM 822 CA ILE A 51 -47.565 6.316 -2.225 1.00 18.48 C ATOM 823 C ILE A 51 -47.812 7.809 -1.973 1.00 18.45 C ATOM 824 O ILE A 51 -46.896 8.577 -1.755 1.00 18.55 O ATOM 825 CB ILE A 51 -46.367 5.824 -1.399 1.00 18.76 C ATOM 826 CG1 ILE A 51 -46.501 6.333 0.038 1.00 18.87 C ATOM 827 CG2 ILE A 51 -45.046 6.325 -1.990 1.00 19.14 C ATOM 828 CD1 ILE A 51 -45.637 5.478 0.966 1.00 19.04 C ATOM 0 H ILE A 51 -47.786 5.191 -4.025 1.00 18.23 H new ATOM 0 HA ILE A 51 -48.454 5.769 -1.912 1.00 18.48 H new ATOM 0 HB ILE A 51 -46.362 4.734 -1.416 1.00 18.76 H new ATOM 0 HG12 ILE A 51 -46.192 7.377 0.095 1.00 18.87 H new ATOM 0 HG13 ILE A 51 -47.543 6.291 0.354 1.00 18.87 H new ATOM 0 HG21 ILE A 51 -44.216 5.961 -1.385 1.00 19.14 H new ATOM 0 HG22 ILE A 51 -44.941 5.956 -3.010 1.00 19.14 H new ATOM 0 HG23 ILE A 51 -45.040 7.415 -1.996 1.00 19.14 H new ATOM 0 HD11 ILE A 51 -45.733 5.841 1.989 1.00 19.04 H new ATOM 0 HD12 ILE A 51 -45.967 4.440 0.917 1.00 19.04 H new ATOM 0 HD13 ILE A 51 -44.594 5.542 0.654 1.00 19.04 H new ATOM 840 N ASN A 52 -49.048 8.225 -2.003 1.00 18.43 N ATOM 841 CA ASN A 52 -49.359 9.663 -1.767 1.00 18.53 C ATOM 842 C ASN A 52 -48.748 10.110 -0.437 1.00 18.30 C ATOM 843 O ASN A 52 -48.226 9.313 0.317 1.00 18.63 O ATOM 844 CB ASN A 52 -50.876 9.856 -1.722 1.00 19.07 C ATOM 845 CG ASN A 52 -51.362 10.399 -3.066 1.00 19.47 C ATOM 846 OD1 ASN A 52 -52.182 11.295 -3.112 1.00 19.61 O ATOM 847 ND2 ASN A 52 -50.889 9.891 -4.171 1.00 19.77 N ATOM 0 H ASN A 52 -49.857 7.630 -2.181 1.00 18.43 H new ATOM 0 HA ASN A 52 -48.940 10.261 -2.576 1.00 18.53 H new ATOM 0 HB2 ASN A 52 -51.367 8.908 -1.502 1.00 19.07 H new ATOM 0 HB3 ASN A 52 -51.142 10.546 -0.921 1.00 19.07 H new ATOM 0 HD21 ASN A 52 -51.207 10.246 -5.073 1.00 19.77 H new ATOM 0 HD22 ASN A 52 -50.201 9.139 -4.133 1.00 19.77 H new ATOM 854 N GLY A 53 -48.811 11.380 -0.143 1.00 17.85 N ATOM 855 CA GLY A 53 -48.236 11.880 1.138 1.00 17.72 C ATOM 856 C GLY A 53 -46.748 12.197 0.953 1.00 17.67 C ATOM 857 O GLY A 53 -45.983 12.189 1.896 1.00 17.89 O ATOM 0 H GLY A 53 -49.236 12.093 -0.735 1.00 17.85 H new ATOM 0 HA2 GLY A 53 -48.770 12.774 1.462 1.00 17.72 H new ATOM 0 HA3 GLY A 53 -48.363 11.132 1.920 1.00 17.72 H new ATOM 861 N ASN A 54 -46.331 12.477 -0.255 1.00 17.51 N ATOM 862 CA ASN A 54 -44.894 12.794 -0.496 1.00 17.58 C ATOM 863 C ASN A 54 -44.690 13.102 -1.981 1.00 17.41 C ATOM 864 O ASN A 54 -44.100 12.320 -2.701 1.00 17.26 O ATOM 865 CB ASN A 54 -44.029 11.594 -0.102 1.00 17.76 C ATOM 866 CG ASN A 54 -42.570 11.871 -0.470 1.00 18.04 C ATOM 867 OD1 ASN A 54 -41.909 11.035 -1.053 1.00 18.30 O ATOM 868 ND2 ASN A 54 -42.037 13.020 -0.154 1.00 18.14 N ATOM 0 H ASN A 54 -46.925 12.499 -1.084 1.00 17.51 H new ATOM 0 HA ASN A 54 -44.606 13.658 0.103 1.00 17.58 H new ATOM 0 HB2 ASN A 54 -44.115 11.406 0.968 1.00 17.76 H new ATOM 0 HB3 ASN A 54 -44.379 10.697 -0.612 1.00 17.76 H new ATOM 0 HD21 ASN A 54 -41.066 13.216 -0.397 1.00 18.14 H new ATOM 0 HD22 ASN A 54 -42.592 13.722 0.335 1.00 18.14 H new ATOM 875 N PRO A 55 -45.193 14.237 -2.390 1.00 17.57 N ATOM 876 CA PRO A 55 -45.105 14.710 -3.776 1.00 17.60 C ATOM 877 C PRO A 55 -43.764 15.416 -4.037 1.00 17.45 C ATOM 878 O PRO A 55 -43.725 16.478 -4.626 1.00 17.47 O ATOM 879 CB PRO A 55 -46.244 15.708 -3.926 1.00 17.96 C ATOM 880 CG PRO A 55 -46.429 16.251 -2.483 1.00 18.15 C ATOM 881 CD PRO A 55 -45.917 15.165 -1.498 1.00 17.91 C ATOM 0 HA PRO A 55 -45.171 13.882 -4.482 1.00 17.60 H new ATOM 0 HB2 PRO A 55 -45.993 16.504 -4.627 1.00 17.96 H new ATOM 0 HB3 PRO A 55 -47.151 15.231 -4.297 1.00 17.96 H new ATOM 0 HG2 PRO A 55 -45.874 17.180 -2.350 1.00 18.15 H new ATOM 0 HG3 PRO A 55 -47.478 16.477 -2.291 1.00 18.15 H new ATOM 0 HD2 PRO A 55 -45.263 15.586 -0.734 1.00 17.91 H new ATOM 0 HD3 PRO A 55 -46.737 14.670 -0.978 1.00 17.91 H new ATOM 889 N SER A 56 -42.667 14.843 -3.612 1.00 17.42 N ATOM 890 CA SER A 56 -41.345 15.493 -3.848 1.00 17.40 C ATOM 891 C SER A 56 -41.373 16.929 -3.317 1.00 17.16 C ATOM 892 O SER A 56 -41.140 17.875 -4.044 1.00 17.17 O ATOM 893 CB SER A 56 -41.048 15.507 -5.348 1.00 17.42 C ATOM 894 OG SER A 56 -39.664 15.257 -5.555 1.00 17.81 O ATOM 0 H SER A 56 -42.631 13.954 -3.113 1.00 17.42 H new ATOM 0 HA SER A 56 -40.568 14.934 -3.327 1.00 17.40 H new ATOM 0 HB2 SER A 56 -41.646 14.750 -5.856 1.00 17.42 H new ATOM 0 HB3 SER A 56 -41.323 16.471 -5.776 1.00 17.42 H new ATOM 0 HG SER A 56 -39.470 15.264 -6.516 1.00 17.81 H new ATOM 900 N TRP A 57 -41.657 17.103 -2.057 1.00 17.09 N ATOM 901 CA TRP A 57 -41.699 18.474 -1.488 1.00 17.02 C ATOM 902 C TRP A 57 -40.356 18.762 -0.804 1.00 17.03 C ATOM 903 O TRP A 57 -39.574 19.555 -1.290 1.00 17.16 O ATOM 904 CB TRP A 57 -42.868 18.547 -0.498 1.00 17.09 C ATOM 905 CG TRP A 57 -42.578 19.502 0.613 1.00 17.24 C ATOM 906 CD1 TRP A 57 -42.216 19.139 1.861 1.00 17.29 C ATOM 907 CD2 TRP A 57 -42.650 20.957 0.611 1.00 17.54 C ATOM 908 NE1 TRP A 57 -42.047 20.278 2.628 1.00 17.59 N ATOM 909 CE2 TRP A 57 -42.305 21.426 1.902 1.00 17.75 C ATOM 910 CE3 TRP A 57 -42.972 21.907 -0.375 1.00 17.77 C ATOM 911 CZ2 TRP A 57 -42.282 22.788 2.203 1.00 18.16 C ATOM 912 CZ3 TRP A 57 -42.951 23.279 -0.075 1.00 18.19 C ATOM 913 CH2 TRP A 57 -42.606 23.718 1.212 1.00 18.38 C ATOM 0 H TRP A 57 -41.862 16.353 -1.397 1.00 17.09 H new ATOM 0 HA TRP A 57 -41.853 19.226 -2.262 1.00 17.02 H new ATOM 0 HB2 TRP A 57 -43.772 18.858 -1.021 1.00 17.09 H new ATOM 0 HB3 TRP A 57 -43.062 17.556 -0.088 1.00 17.09 H new ATOM 0 HD1 TRP A 57 -42.080 18.124 2.205 1.00 17.29 H new ATOM 0 HE1 TRP A 57 -41.767 20.272 3.609 1.00 17.59 H new ATOM 0 HE3 TRP A 57 -43.237 21.579 -1.369 1.00 17.77 H new ATOM 0 HZ2 TRP A 57 -42.016 23.121 3.195 1.00 18.16 H new ATOM 0 HZ3 TRP A 57 -43.202 24.000 -0.839 1.00 18.19 H new ATOM 0 HH2 TRP A 57 -42.591 24.774 1.437 1.00 18.38 H new ATOM 924 N HIS A 58 -40.091 18.108 0.305 1.00 17.02 N ATOM 925 CA HIS A 58 -38.799 18.300 1.051 1.00 17.13 C ATOM 926 C HIS A 58 -38.352 19.768 1.044 1.00 17.21 C ATOM 927 O HIS A 58 -37.172 20.053 1.024 1.00 17.17 O ATOM 928 CB HIS A 58 -37.711 17.436 0.409 1.00 17.30 C ATOM 929 CG HIS A 58 -37.357 17.990 -0.944 1.00 17.41 C ATOM 930 ND1 HIS A 58 -38.030 17.615 -2.095 1.00 17.41 N ATOM 931 CD2 HIS A 58 -36.401 18.891 -1.345 1.00 17.68 C ATOM 932 CE1 HIS A 58 -37.475 18.281 -3.125 1.00 17.68 C ATOM 933 NE2 HIS A 58 -36.478 19.072 -2.723 1.00 17.85 N ATOM 0 H HIS A 58 -40.727 17.436 0.734 1.00 17.02 H new ATOM 0 HA HIS A 58 -38.960 18.002 2.087 1.00 17.13 H new ATOM 0 HB2 HIS A 58 -36.827 17.414 1.046 1.00 17.30 H new ATOM 0 HB3 HIS A 58 -38.060 16.408 0.312 1.00 17.30 H new ATOM 0 HD2 HIS A 58 -35.697 19.384 -0.691 1.00 17.68 H new ATOM 0 HE1 HIS A 58 -37.797 18.187 -4.151 1.00 17.68 H new ATOM 0 HE2 HIS A 58 -35.897 19.679 -3.301 1.00 17.85 H new ATOM 941 N LEU A 59 -39.290 20.683 1.057 1.00 17.44 N ATOM 942 CA LEU A 59 -38.961 22.147 1.051 1.00 17.67 C ATOM 943 C LEU A 59 -38.564 22.592 -0.363 1.00 17.65 C ATOM 944 O LEU A 59 -39.345 23.205 -1.064 1.00 17.80 O ATOM 945 CB LEU A 59 -37.822 22.448 2.037 1.00 17.98 C ATOM 946 CG LEU A 59 -38.234 23.583 2.979 1.00 18.47 C ATOM 947 CD1 LEU A 59 -38.365 23.042 4.403 1.00 18.83 C ATOM 948 CD2 LEU A 59 -37.167 24.679 2.949 1.00 18.93 C ATOM 0 H LEU A 59 -40.289 20.475 1.072 1.00 17.44 H new ATOM 0 HA LEU A 59 -39.846 22.702 1.363 1.00 17.67 H new ATOM 0 HB2 LEU A 59 -37.583 21.554 2.613 1.00 17.98 H new ATOM 0 HB3 LEU A 59 -36.921 22.726 1.491 1.00 17.98 H new ATOM 0 HG LEU A 59 -39.191 23.994 2.657 1.00 18.47 H new ATOM 0 HD11 LEU A 59 -38.658 23.850 5.074 1.00 18.83 H new ATOM 0 HD12 LEU A 59 -39.122 22.258 4.426 1.00 18.83 H new ATOM 0 HD13 LEU A 59 -37.408 22.632 4.726 1.00 18.83 H new ATOM 0 HD21 LEU A 59 -37.458 25.488 3.619 1.00 18.93 H new ATOM 0 HD22 LEU A 59 -36.212 24.266 3.273 1.00 18.93 H new ATOM 0 HD23 LEU A 59 -37.070 25.065 1.934 1.00 18.93 H new ATOM 960 N ALA A 60 -37.364 22.296 -0.792 1.00 17.58 N ATOM 961 CA ALA A 60 -36.937 22.712 -2.159 1.00 17.68 C ATOM 962 C ALA A 60 -36.864 24.239 -2.225 1.00 17.51 C ATOM 963 O ALA A 60 -37.303 24.852 -3.178 1.00 17.56 O ATOM 964 CB ALA A 60 -37.947 22.203 -3.190 1.00 17.94 C ATOM 0 H ALA A 60 -36.663 21.785 -0.255 1.00 17.58 H new ATOM 0 HA ALA A 60 -35.956 22.290 -2.377 1.00 17.68 H new ATOM 0 HB1 ALA A 60 -37.633 22.508 -4.188 1.00 17.94 H new ATOM 0 HB2 ALA A 60 -37.999 21.115 -3.142 1.00 17.94 H new ATOM 0 HB3 ALA A 60 -38.930 22.623 -2.975 1.00 17.94 H new ATOM 970 N ASP A 61 -36.310 24.857 -1.218 1.00 17.44 N ATOM 971 CA ASP A 61 -36.206 26.343 -1.218 1.00 17.39 C ATOM 972 C ASP A 61 -35.137 26.777 -0.212 1.00 17.27 C ATOM 973 O ASP A 61 -35.217 27.838 0.374 1.00 17.38 O ATOM 974 CB ASP A 61 -37.554 26.949 -0.824 1.00 17.85 C ATOM 975 CG ASP A 61 -37.874 26.585 0.627 1.00 17.99 C ATOM 976 OD1 ASP A 61 -37.365 27.253 1.512 1.00 18.13 O ATOM 977 OD2 ASP A 61 -38.623 25.643 0.829 1.00 18.08 O ATOM 0 H ASP A 61 -35.924 24.396 -0.394 1.00 17.44 H new ATOM 0 HA ASP A 61 -35.931 26.689 -2.214 1.00 17.39 H new ATOM 0 HB2 ASP A 61 -37.525 28.032 -0.940 1.00 17.85 H new ATOM 0 HB3 ASP A 61 -38.338 26.578 -1.484 1.00 17.85 H new ATOM 982 N SER A 62 -34.137 25.963 -0.008 1.00 17.19 N ATOM 983 CA SER A 62 -33.064 26.327 0.960 1.00 17.23 C ATOM 984 C SER A 62 -32.316 27.563 0.454 1.00 17.39 C ATOM 985 O SER A 62 -32.501 27.981 -0.672 1.00 17.47 O ATOM 986 CB SER A 62 -32.085 25.160 1.096 1.00 17.02 C ATOM 987 OG SER A 62 -32.078 24.708 2.444 1.00 16.94 O ATOM 0 H SER A 62 -34.017 25.062 -0.470 1.00 17.19 H new ATOM 0 HA SER A 62 -33.509 26.545 1.931 1.00 17.23 H new ATOM 0 HB2 SER A 62 -32.375 24.348 0.429 1.00 17.02 H new ATOM 0 HB3 SER A 62 -31.084 25.474 0.800 1.00 17.02 H new ATOM 0 HG SER A 62 -31.877 23.749 2.466 1.00 16.94 H new ATOM 993 N PRO A 63 -31.494 28.105 1.315 1.00 17.55 N ATOM 994 CA PRO A 63 -30.684 29.293 1.027 1.00 17.83 C ATOM 995 C PRO A 63 -29.385 28.899 0.308 1.00 17.92 C ATOM 996 O PRO A 63 -28.308 29.279 0.718 1.00 18.21 O ATOM 997 CB PRO A 63 -30.357 29.890 2.387 1.00 18.07 C ATOM 998 CG PRO A 63 -30.380 28.655 3.328 1.00 17.93 C ATOM 999 CD PRO A 63 -31.300 27.583 2.683 1.00 17.60 C ATOM 0 HA PRO A 63 -31.212 29.993 0.380 1.00 17.83 H new ATOM 0 HB2 PRO A 63 -29.383 30.380 2.389 1.00 18.07 H new ATOM 0 HB3 PRO A 63 -31.091 30.638 2.686 1.00 18.07 H new ATOM 0 HG2 PRO A 63 -29.373 28.261 3.466 1.00 17.93 H new ATOM 0 HG3 PRO A 63 -30.751 28.933 4.314 1.00 17.93 H new ATOM 0 HD2 PRO A 63 -30.833 26.598 2.678 1.00 17.60 H new ATOM 0 HD3 PRO A 63 -32.245 27.485 3.217 1.00 17.60 H new ATOM 1007 N ALA A 64 -29.477 28.145 -0.755 1.00 17.81 N ATOM 1008 CA ALA A 64 -28.249 27.730 -1.495 1.00 18.03 C ATOM 1009 C ALA A 64 -27.304 26.966 -0.553 1.00 17.67 C ATOM 1010 O ALA A 64 -27.399 25.762 -0.421 1.00 17.43 O ATOM 1011 CB ALA A 64 -27.550 28.968 -2.068 1.00 18.46 C ATOM 0 H ALA A 64 -30.353 27.797 -1.144 1.00 17.81 H new ATOM 0 HA ALA A 64 -28.527 27.071 -2.317 1.00 18.03 H new ATOM 0 HB1 ALA A 64 -26.654 28.663 -2.608 1.00 18.46 H new ATOM 0 HB2 ALA A 64 -28.226 29.485 -2.750 1.00 18.46 H new ATOM 0 HB3 ALA A 64 -27.273 29.638 -1.255 1.00 18.46 H new ATOM 1017 N VAL A 65 -26.392 27.640 0.104 1.00 17.75 N ATOM 1018 CA VAL A 65 -25.463 26.924 1.023 1.00 17.54 C ATOM 1019 C VAL A 65 -26.261 26.279 2.158 1.00 17.47 C ATOM 1020 O VAL A 65 -27.341 26.719 2.499 1.00 17.53 O ATOM 1021 CB VAL A 65 -24.458 27.918 1.608 1.00 17.91 C ATOM 1022 CG1 VAL A 65 -23.668 27.246 2.732 1.00 18.01 C ATOM 1023 CG2 VAL A 65 -23.494 28.371 0.509 1.00 18.06 C ATOM 0 H VAL A 65 -26.254 28.649 0.042 1.00 17.75 H new ATOM 0 HA VAL A 65 -24.930 26.151 0.469 1.00 17.54 H new ATOM 0 HB VAL A 65 -24.991 28.782 2.006 1.00 17.91 H new ATOM 0 HG11 VAL A 65 -22.952 27.955 3.148 1.00 18.01 H new ATOM 0 HG12 VAL A 65 -24.354 26.921 3.515 1.00 18.01 H new ATOM 0 HG13 VAL A 65 -23.134 26.382 2.336 1.00 18.01 H new ATOM 0 HG21 VAL A 65 -22.777 29.079 0.923 1.00 18.06 H new ATOM 0 HG22 VAL A 65 -22.962 27.506 0.112 1.00 18.06 H new ATOM 0 HG23 VAL A 65 -24.056 28.850 -0.293 1.00 18.06 H new ATOM 1033 N ASN A 66 -25.738 25.238 2.746 1.00 17.49 N ATOM 1034 CA ASN A 66 -26.465 24.565 3.858 1.00 17.57 C ATOM 1035 C ASN A 66 -27.766 23.959 3.327 1.00 17.44 C ATOM 1036 O ASN A 66 -28.682 24.663 2.950 1.00 17.62 O ATOM 1037 CB ASN A 66 -26.789 25.589 4.949 1.00 17.79 C ATOM 1038 CG ASN A 66 -26.672 24.925 6.322 1.00 17.95 C ATOM 1039 OD1 ASN A 66 -26.041 25.455 7.215 1.00 18.02 O ATOM 1040 ND2 ASN A 66 -27.258 23.777 6.530 1.00 18.16 N ATOM 0 H ASN A 66 -24.838 24.824 2.504 1.00 17.49 H new ATOM 0 HA ASN A 66 -25.840 23.775 4.273 1.00 17.57 H new ATOM 0 HB2 ASN A 66 -26.105 26.435 4.883 1.00 17.79 H new ATOM 0 HB3 ASN A 66 -27.796 25.981 4.807 1.00 17.79 H new ATOM 0 HD21 ASN A 66 -27.186 23.325 7.442 1.00 18.16 H new ATOM 0 HD22 ASN A 66 -27.788 23.332 5.781 1.00 18.16 H new ATOM 1047 N GLY A 67 -27.854 22.657 3.293 1.00 17.29 N ATOM 1048 CA GLY A 67 -29.095 22.007 2.787 1.00 17.33 C ATOM 1049 C GLY A 67 -28.834 21.407 1.404 1.00 16.78 C ATOM 1050 O GLY A 67 -29.045 20.233 1.177 1.00 16.73 O ATOM 0 H GLY A 67 -27.120 22.016 3.594 1.00 17.29 H new ATOM 0 HA2 GLY A 67 -29.417 21.228 3.478 1.00 17.33 H new ATOM 0 HA3 GLY A 67 -29.903 22.737 2.731 1.00 17.33 H new ATOM 1054 N ALA A 68 -28.375 22.203 0.478 1.00 16.51 N ATOM 1055 CA ALA A 68 -28.102 21.676 -0.889 1.00 16.11 C ATOM 1056 C ALA A 68 -26.600 21.744 -1.173 1.00 16.02 C ATOM 1057 O ALA A 68 -25.902 20.751 -1.116 1.00 16.23 O ATOM 1058 CB ALA A 68 -28.855 22.519 -1.920 1.00 16.40 C ATOM 0 H ALA A 68 -28.177 23.195 0.609 1.00 16.51 H new ATOM 0 HA ALA A 68 -28.436 20.640 -0.952 1.00 16.11 H new ATOM 0 HB1 ALA A 68 -28.656 22.134 -2.920 1.00 16.40 H new ATOM 0 HB2 ALA A 68 -29.925 22.470 -1.719 1.00 16.40 H new ATOM 0 HB3 ALA A 68 -28.521 23.555 -1.857 1.00 16.40 H new ATOM 1064 N THR A 69 -26.097 22.909 -1.480 1.00 15.86 N ATOM 1065 CA THR A 69 -24.640 23.040 -1.768 1.00 15.94 C ATOM 1066 C THR A 69 -23.834 22.475 -0.598 1.00 15.62 C ATOM 1067 O THR A 69 -22.932 21.681 -0.778 1.00 16.00 O ATOM 1068 CB THR A 69 -24.289 24.517 -1.961 1.00 16.41 C ATOM 1069 OG1 THR A 69 -24.404 24.854 -3.337 1.00 16.52 O ATOM 1070 CG2 THR A 69 -22.855 24.768 -1.491 1.00 16.98 C ATOM 0 H THR A 69 -26.632 23.775 -1.544 1.00 15.86 H new ATOM 0 HA THR A 69 -24.399 22.486 -2.676 1.00 15.94 H new ATOM 0 HB THR A 69 -24.973 25.133 -1.377 1.00 16.41 H new ATOM 0 HG1 THR A 69 -24.181 25.800 -3.462 1.00 16.52 H new ATOM 0 HG21 THR A 69 -22.606 25.820 -1.629 1.00 16.98 H new ATOM 0 HG22 THR A 69 -22.768 24.510 -0.436 1.00 16.98 H new ATOM 0 HG23 THR A 69 -22.168 24.153 -2.073 1.00 16.98 H new ATOM 1078 N GLY A 70 -24.151 22.877 0.602 1.00 15.07 N ATOM 1079 CA GLY A 70 -23.402 22.363 1.783 1.00 14.89 C ATOM 1080 C GLY A 70 -23.661 20.864 1.943 1.00 14.40 C ATOM 1081 O GLY A 70 -24.696 20.364 1.556 1.00 14.33 O ATOM 0 H GLY A 70 -24.897 23.539 0.816 1.00 15.07 H new ATOM 0 HA2 GLY A 70 -22.335 22.546 1.657 1.00 14.89 H new ATOM 0 HA3 GLY A 70 -23.713 22.894 2.683 1.00 14.89 H new ATOM 1085 N HIS A 71 -22.717 20.151 2.511 1.00 14.22 N ATOM 1086 CA HIS A 71 -22.872 18.672 2.716 1.00 13.93 C ATOM 1087 C HIS A 71 -22.683 17.902 1.392 1.00 13.52 C ATOM 1088 O HIS A 71 -22.709 16.686 1.371 1.00 13.80 O ATOM 1089 CB HIS A 71 -24.255 18.370 3.323 1.00 14.17 C ATOM 1090 CG HIS A 71 -25.075 17.528 2.381 1.00 14.24 C ATOM 1091 ND1 HIS A 71 -25.982 17.855 1.402 1.00 13.94 N flip ATOM 1092 CD2 HIS A 71 -25.016 16.142 2.390 1.00 14.75 C flip ATOM 1093 CE1 HIS A 71 -26.477 16.695 0.813 1.00 14.26 C flip ATOM 1094 NE2 HIS A 71 -25.862 15.693 1.446 1.00 14.76 N flip ATOM 0 H HIS A 71 -21.833 20.535 2.846 1.00 14.22 H new ATOM 0 HA HIS A 71 -22.098 18.338 3.407 1.00 13.93 H new ATOM 0 HB2 HIS A 71 -24.135 17.850 4.274 1.00 14.17 H new ATOM 0 HB3 HIS A 71 -24.777 19.303 3.534 1.00 14.17 H new ATOM 0 HD1 HIS A 71 -26.252 18.805 1.146 1.00 13.94 H new ATOM 0 HD2 HIS A 71 -24.402 15.534 3.038 1.00 14.75 H new ATOM 0 HE1 HIS A 71 -27.202 16.621 0.016 1.00 14.26 H new ATOM 1102 N SER A 72 -22.481 18.577 0.288 1.00 13.02 N ATOM 1103 CA SER A 72 -22.290 17.846 -0.998 1.00 12.76 C ATOM 1104 C SER A 72 -21.558 18.746 -1.995 1.00 12.33 C ATOM 1105 O SER A 72 -21.758 18.655 -3.190 1.00 12.60 O ATOM 1106 CB SER A 72 -23.653 17.457 -1.569 1.00 13.05 C ATOM 1107 OG SER A 72 -24.624 18.410 -1.158 1.00 13.20 O ATOM 0 H SER A 72 -22.441 19.594 0.223 1.00 13.02 H new ATOM 0 HA SER A 72 -21.699 16.947 -0.820 1.00 12.76 H new ATOM 0 HB2 SER A 72 -23.606 17.415 -2.657 1.00 13.05 H new ATOM 0 HB3 SER A 72 -23.934 16.462 -1.224 1.00 13.05 H new ATOM 0 HG SER A 72 -24.826 18.282 -0.208 1.00 13.20 H new ATOM 1113 N SER A 73 -20.711 19.615 -1.516 1.00 11.84 N ATOM 1114 CA SER A 73 -19.968 20.519 -2.439 1.00 11.61 C ATOM 1115 C SER A 73 -19.142 21.515 -1.624 1.00 11.12 C ATOM 1116 O SER A 73 -17.991 21.769 -1.918 1.00 11.35 O ATOM 1117 CB SER A 73 -20.964 21.279 -3.316 1.00 11.90 C ATOM 1118 OG SER A 73 -20.796 22.676 -3.114 1.00 12.21 O ATOM 0 H SER A 73 -20.501 19.738 -0.525 1.00 11.84 H new ATOM 0 HA SER A 73 -19.304 19.929 -3.070 1.00 11.61 H new ATOM 0 HB2 SER A 73 -20.806 21.030 -4.365 1.00 11.90 H new ATOM 0 HB3 SER A 73 -21.984 20.984 -3.068 1.00 11.90 H new ATOM 0 HG SER A 73 -21.314 23.168 -3.785 1.00 12.21 H new ATOM 1124 N SER A 74 -19.720 22.081 -0.600 1.00 10.62 N ATOM 1125 CA SER A 74 -18.968 23.060 0.233 1.00 10.30 C ATOM 1126 C SER A 74 -17.789 22.355 0.907 1.00 9.49 C ATOM 1127 O SER A 74 -17.391 21.279 0.510 1.00 9.35 O ATOM 1128 CB SER A 74 -19.896 23.637 1.302 1.00 10.72 C ATOM 1129 OG SER A 74 -19.444 24.935 1.665 1.00 11.42 O ATOM 0 H SER A 74 -20.681 21.907 -0.305 1.00 10.62 H new ATOM 0 HA SER A 74 -18.596 23.866 -0.399 1.00 10.30 H new ATOM 0 HB2 SER A 74 -20.917 23.687 0.925 1.00 10.72 H new ATOM 0 HB3 SER A 74 -19.911 22.987 2.177 1.00 10.72 H new ATOM 0 HG SER A 74 -20.038 25.309 2.349 1.00 11.42 H new ATOM 1135 N LEU A 75 -17.231 22.957 1.925 1.00 9.14 N ATOM 1136 CA LEU A 75 -16.076 22.332 2.635 1.00 8.53 C ATOM 1137 C LEU A 75 -14.929 22.092 1.652 1.00 8.00 C ATOM 1138 O LEU A 75 -14.949 21.167 0.864 1.00 8.26 O ATOM 1139 CB LEU A 75 -16.502 21.001 3.253 1.00 8.82 C ATOM 1140 CG LEU A 75 -17.533 21.256 4.354 1.00 9.13 C ATOM 1141 CD1 LEU A 75 -18.940 21.199 3.759 1.00 9.75 C ATOM 1142 CD2 LEU A 75 -17.396 20.186 5.439 1.00 9.45 C ATOM 0 H LEU A 75 -17.527 23.859 2.297 1.00 9.14 H new ATOM 0 HA LEU A 75 -15.742 23.006 3.424 1.00 8.53 H new ATOM 0 HB2 LEU A 75 -16.925 20.351 2.487 1.00 8.82 H new ATOM 0 HB3 LEU A 75 -15.635 20.485 3.665 1.00 8.82 H new ATOM 0 HG LEU A 75 -17.362 22.240 4.790 1.00 9.13 H new ATOM 0 HD11 LEU A 75 -19.674 21.381 4.544 1.00 9.75 H new ATOM 0 HD12 LEU A 75 -19.039 21.961 2.986 1.00 9.75 H new ATOM 0 HD13 LEU A 75 -19.111 20.215 3.323 1.00 9.75 H new ATOM 0 HD21 LEU A 75 -18.130 20.367 6.224 1.00 9.45 H new ATOM 0 HD22 LEU A 75 -17.566 19.202 5.003 1.00 9.45 H new ATOM 0 HD23 LEU A 75 -16.393 20.226 5.864 1.00 9.45 H new ATOM 1154 N ASP A 76 -13.925 22.918 1.698 1.00 7.53 N ATOM 1155 CA ASP A 76 -12.770 22.744 0.773 1.00 7.28 C ATOM 1156 C ASP A 76 -11.659 21.976 1.491 1.00 6.93 C ATOM 1157 O ASP A 76 -11.041 22.476 2.410 1.00 6.97 O ATOM 1158 CB ASP A 76 -12.248 24.117 0.344 1.00 7.58 C ATOM 1159 CG ASP A 76 -13.397 24.941 -0.239 1.00 7.86 C ATOM 1160 OD1 ASP A 76 -14.068 25.611 0.528 1.00 8.00 O ATOM 1161 OD2 ASP A 76 -13.587 24.887 -1.443 1.00 8.20 O ATOM 0 H ASP A 76 -13.852 23.709 2.338 1.00 7.53 H new ATOM 0 HA ASP A 76 -13.088 22.187 -0.108 1.00 7.28 H new ATOM 0 HB2 ASP A 76 -11.812 24.635 1.198 1.00 7.58 H new ATOM 0 HB3 ASP A 76 -11.457 24.002 -0.397 1.00 7.58 H new ATOM 1166 N ALA A 77 -11.401 20.764 1.082 1.00 6.88 N ATOM 1167 CA ALA A 77 -10.331 19.969 1.747 1.00 6.87 C ATOM 1168 C ALA A 77 -9.433 19.324 0.689 1.00 6.47 C ATOM 1169 O ALA A 77 -8.224 19.353 0.799 1.00 6.60 O ATOM 1170 CB ALA A 77 -10.970 18.876 2.607 1.00 7.51 C ATOM 0 H ALA A 77 -11.884 20.291 0.318 1.00 6.88 H new ATOM 0 HA ALA A 77 -9.731 20.627 2.376 1.00 6.87 H new ATOM 0 HB1 ALA A 77 -10.188 18.293 3.094 1.00 7.51 H new ATOM 0 HB2 ALA A 77 -11.607 19.334 3.364 1.00 7.51 H new ATOM 0 HB3 ALA A 77 -11.571 18.221 1.976 1.00 7.51 H new ATOM 1176 N ARG A 78 -10.023 18.739 -0.329 1.00 6.31 N ATOM 1177 CA ARG A 78 -9.222 18.078 -1.413 1.00 6.20 C ATOM 1178 C ARG A 78 -8.638 16.737 -0.930 1.00 5.77 C ATOM 1179 O ARG A 78 -7.930 16.066 -1.655 1.00 5.87 O ATOM 1180 CB ARG A 78 -8.107 19.028 -1.865 1.00 6.72 C ATOM 1181 CG ARG A 78 -6.726 18.503 -1.452 1.00 7.31 C ATOM 1182 CD ARG A 78 -5.685 19.605 -1.663 1.00 8.18 C ATOM 1183 NE ARG A 78 -5.612 19.949 -3.110 1.00 8.88 N ATOM 1184 CZ ARG A 78 -6.390 20.875 -3.601 1.00 9.62 C ATOM 1185 NH1 ARG A 78 -6.391 22.070 -3.078 1.00 10.02 N ATOM 1186 NH2 ARG A 78 -7.167 20.606 -4.614 1.00 10.18 N ATOM 0 H ARG A 78 -11.034 18.691 -0.456 1.00 6.31 H new ATOM 0 HA ARG A 78 -9.876 17.862 -2.258 1.00 6.20 H new ATOM 0 HB2 ARG A 78 -8.144 19.147 -2.948 1.00 6.72 H new ATOM 0 HB3 ARG A 78 -8.268 20.014 -1.430 1.00 6.72 H new ATOM 0 HG2 ARG A 78 -6.739 18.194 -0.407 1.00 7.31 H new ATOM 0 HG3 ARG A 78 -6.467 17.624 -2.042 1.00 7.31 H new ATOM 0 HD2 ARG A 78 -5.951 20.488 -1.081 1.00 8.18 H new ATOM 0 HD3 ARG A 78 -4.710 19.272 -1.308 1.00 8.18 H new ATOM 0 HE ARG A 78 -4.954 19.461 -3.718 1.00 8.88 H new ATOM 0 HH11 ARG A 78 -5.784 22.280 -2.286 1.00 10.02 H new ATOM 0 HH12 ARG A 78 -6.999 22.794 -3.461 1.00 10.02 H new ATOM 0 HH21 ARG A 78 -7.167 19.672 -5.023 1.00 10.18 H new ATOM 0 HH22 ARG A 78 -7.775 21.330 -4.997 1.00 10.18 H new ATOM 1200 N GLU A 79 -8.935 16.342 0.282 1.00 5.60 N ATOM 1201 CA GLU A 79 -8.411 15.049 0.826 1.00 5.41 C ATOM 1202 C GLU A 79 -6.909 15.152 1.107 1.00 4.83 C ATOM 1203 O GLU A 79 -6.224 14.151 1.173 1.00 4.97 O ATOM 1204 CB GLU A 79 -8.655 13.923 -0.173 1.00 6.04 C ATOM 1205 CG GLU A 79 -10.037 14.087 -0.809 1.00 6.57 C ATOM 1206 CD GLU A 79 -10.561 12.718 -1.248 1.00 7.41 C ATOM 1207 OE1 GLU A 79 -9.749 11.828 -1.440 1.00 7.71 O ATOM 1208 OE2 GLU A 79 -11.766 12.584 -1.386 1.00 7.96 O ATOM 0 H GLU A 79 -9.526 16.866 0.927 1.00 5.60 H new ATOM 0 HA GLU A 79 -8.936 14.835 1.757 1.00 5.41 H new ATOM 0 HB2 GLU A 79 -7.885 13.936 -0.945 1.00 6.04 H new ATOM 0 HB3 GLU A 79 -8.587 12.958 0.329 1.00 6.04 H new ATOM 0 HG2 GLU A 79 -10.726 14.541 -0.096 1.00 6.57 H new ATOM 0 HG3 GLU A 79 -9.978 14.758 -1.666 1.00 6.57 H new ATOM 1215 N VAL A 80 -6.414 16.353 1.275 1.00 4.55 N ATOM 1216 CA VAL A 80 -4.958 16.580 1.562 1.00 4.21 C ATOM 1217 C VAL A 80 -4.078 15.651 0.711 1.00 3.73 C ATOM 1218 O VAL A 80 -4.501 15.148 -0.310 1.00 3.85 O ATOM 1219 CB VAL A 80 -4.693 16.353 3.060 1.00 4.32 C ATOM 1220 CG1 VAL A 80 -5.691 17.175 3.876 1.00 5.17 C ATOM 1221 CG2 VAL A 80 -4.855 14.871 3.416 1.00 4.20 C ATOM 0 H VAL A 80 -6.969 17.207 1.225 1.00 4.55 H new ATOM 0 HA VAL A 80 -4.702 17.607 1.302 1.00 4.21 H new ATOM 0 HB VAL A 80 -3.673 16.662 3.288 1.00 4.32 H new ATOM 0 HG11 VAL A 80 -5.508 17.018 4.939 1.00 5.17 H new ATOM 0 HG12 VAL A 80 -5.571 18.232 3.639 1.00 5.17 H new ATOM 0 HG13 VAL A 80 -6.706 16.861 3.632 1.00 5.17 H new ATOM 0 HG21 VAL A 80 -4.664 14.729 4.480 1.00 4.20 H new ATOM 0 HG22 VAL A 80 -5.870 14.550 3.184 1.00 4.20 H new ATOM 0 HG23 VAL A 80 -4.146 14.278 2.838 1.00 4.20 H new ATOM 1231 N ILE A 81 -2.859 15.422 1.123 1.00 3.61 N ATOM 1232 CA ILE A 81 -1.956 14.529 0.342 1.00 3.39 C ATOM 1233 C ILE A 81 -1.872 13.161 1.044 1.00 2.68 C ATOM 1234 O ILE A 81 -1.185 13.032 2.038 1.00 2.66 O ATOM 1235 CB ILE A 81 -0.562 15.152 0.290 1.00 4.15 C ATOM 1236 CG1 ILE A 81 -0.480 16.126 -0.889 1.00 4.99 C ATOM 1237 CG2 ILE A 81 0.486 14.052 0.114 1.00 4.34 C ATOM 1238 CD1 ILE A 81 -1.649 17.110 -0.823 1.00 5.48 C ATOM 0 H ILE A 81 -2.449 15.817 1.970 1.00 3.61 H new ATOM 0 HA ILE A 81 -2.342 14.402 -0.669 1.00 3.39 H new ATOM 0 HB ILE A 81 -0.372 15.688 1.220 1.00 4.15 H new ATOM 0 HG12 ILE A 81 0.466 16.667 -0.862 1.00 4.99 H new ATOM 0 HG13 ILE A 81 -0.506 15.577 -1.830 1.00 4.99 H new ATOM 0 HG21 ILE A 81 1.480 14.499 0.077 1.00 4.34 H new ATOM 0 HG22 ILE A 81 0.431 13.359 0.953 1.00 4.34 H new ATOM 0 HG23 ILE A 81 0.296 13.513 -0.814 1.00 4.34 H new ATOM 0 HD11 ILE A 81 -1.589 17.803 -1.663 1.00 5.48 H new ATOM 0 HD12 ILE A 81 -2.590 16.561 -0.871 1.00 5.48 H new ATOM 0 HD13 ILE A 81 -1.602 17.668 0.112 1.00 5.48 H new ATOM 1250 N PRO A 82 -2.570 12.178 0.519 1.00 2.74 N ATOM 1251 CA PRO A 82 -2.583 10.826 1.092 1.00 2.67 C ATOM 1252 C PRO A 82 -1.246 10.118 0.846 1.00 2.13 C ATOM 1253 O PRO A 82 -0.885 9.214 1.570 1.00 2.56 O ATOM 1254 CB PRO A 82 -3.715 10.086 0.388 1.00 3.61 C ATOM 1255 CG PRO A 82 -3.845 10.846 -0.953 1.00 4.05 C ATOM 1256 CD PRO A 82 -3.413 12.309 -0.690 1.00 3.58 C ATOM 0 HA PRO A 82 -2.731 10.854 2.172 1.00 2.67 H new ATOM 0 HB2 PRO A 82 -3.475 9.034 0.234 1.00 3.61 H new ATOM 0 HB3 PRO A 82 -4.640 10.121 0.964 1.00 3.61 H new ATOM 0 HG2 PRO A 82 -3.215 10.390 -1.717 1.00 4.05 H new ATOM 0 HG3 PRO A 82 -4.871 10.807 -1.320 1.00 4.05 H new ATOM 0 HD2 PRO A 82 -2.857 12.726 -1.530 1.00 3.58 H new ATOM 0 HD3 PRO A 82 -4.269 12.961 -0.520 1.00 3.58 H new ATOM 1264 N MET A 83 -0.517 10.521 -0.167 1.00 1.72 N ATOM 1265 CA MET A 83 0.801 9.875 -0.469 1.00 1.36 C ATOM 1266 C MET A 83 1.280 10.355 -1.844 1.00 1.19 C ATOM 1267 O MET A 83 2.111 11.235 -1.947 1.00 1.97 O ATOM 1268 CB MET A 83 0.639 8.346 -0.489 1.00 1.68 C ATOM 1269 CG MET A 83 1.281 7.683 0.749 1.00 1.71 C ATOM 1270 SD MET A 83 1.596 8.891 2.066 1.00 1.73 S ATOM 1271 CE MET A 83 2.883 7.958 2.930 1.00 0.57 C ATOM 0 H MET A 83 -0.780 11.275 -0.802 1.00 1.72 H new ATOM 0 HA MET A 83 1.528 10.145 0.297 1.00 1.36 H new ATOM 0 HB2 MET A 83 -0.421 8.094 -0.527 1.00 1.68 H new ATOM 0 HB3 MET A 83 1.095 7.944 -1.394 1.00 1.68 H new ATOM 0 HG2 MET A 83 0.624 6.898 1.124 1.00 1.71 H new ATOM 0 HG3 MET A 83 2.217 7.205 0.462 1.00 1.71 H new ATOM 0 HE1 MET A 83 2.824 8.161 3.999 1.00 0.57 H new ATOM 0 HE2 MET A 83 2.739 6.892 2.754 1.00 0.57 H new ATOM 0 HE3 MET A 83 3.862 8.258 2.557 1.00 0.57 H new ATOM 1281 N ALA A 84 0.757 9.790 -2.899 1.00 0.88 N ATOM 1282 CA ALA A 84 1.170 10.213 -4.271 1.00 0.89 C ATOM 1283 C ALA A 84 2.690 10.057 -4.454 1.00 1.01 C ATOM 1284 O ALA A 84 3.161 9.016 -4.866 1.00 1.95 O ATOM 1285 CB ALA A 84 0.762 11.671 -4.492 1.00 1.00 C ATOM 0 H ALA A 84 0.057 9.049 -2.870 1.00 0.88 H new ATOM 0 HA ALA A 84 0.673 9.577 -5.004 1.00 0.89 H new ATOM 0 HB1 ALA A 84 1.061 11.985 -5.492 1.00 1.00 H new ATOM 0 HB2 ALA A 84 -0.319 11.766 -4.390 1.00 1.00 H new ATOM 0 HB3 ALA A 84 1.253 12.302 -3.751 1.00 1.00 H new ATOM 1291 N ALA A 85 3.465 11.075 -4.161 1.00 0.62 N ATOM 1292 CA ALA A 85 4.943 10.961 -4.333 1.00 0.62 C ATOM 1293 C ALA A 85 5.460 9.744 -3.566 1.00 0.54 C ATOM 1294 O ALA A 85 6.456 9.148 -3.927 1.00 0.62 O ATOM 1295 CB ALA A 85 5.619 12.222 -3.792 1.00 0.69 C ATOM 0 H ALA A 85 3.137 11.975 -3.812 1.00 0.62 H new ATOM 0 HA ALA A 85 5.172 10.847 -5.392 1.00 0.62 H new ATOM 0 HB1 ALA A 85 6.699 12.139 -3.918 1.00 0.69 H new ATOM 0 HB2 ALA A 85 5.256 13.092 -4.339 1.00 0.69 H new ATOM 0 HB3 ALA A 85 5.385 12.335 -2.733 1.00 0.69 H new ATOM 1301 N VAL A 86 4.794 9.370 -2.511 1.00 0.56 N ATOM 1302 CA VAL A 86 5.249 8.195 -1.723 1.00 0.51 C ATOM 1303 C VAL A 86 4.976 6.912 -2.511 1.00 0.53 C ATOM 1304 O VAL A 86 5.776 5.999 -2.524 1.00 0.53 O ATOM 1305 CB VAL A 86 4.488 8.153 -0.402 1.00 0.53 C ATOM 1306 CG1 VAL A 86 4.646 6.770 0.232 1.00 0.63 C ATOM 1307 CG2 VAL A 86 5.053 9.213 0.544 1.00 0.59 C ATOM 0 H VAL A 86 3.953 9.829 -2.161 1.00 0.56 H new ATOM 0 HA VAL A 86 6.318 8.277 -1.528 1.00 0.51 H new ATOM 0 HB VAL A 86 3.432 8.352 -0.584 1.00 0.53 H new ATOM 0 HG11 VAL A 86 4.103 6.738 1.176 1.00 0.63 H new ATOM 0 HG12 VAL A 86 4.246 6.013 -0.442 1.00 0.63 H new ATOM 0 HG13 VAL A 86 5.702 6.572 0.414 1.00 0.63 H new ATOM 0 HG21 VAL A 86 4.510 9.184 1.489 1.00 0.59 H new ATOM 0 HG22 VAL A 86 6.109 9.013 0.726 1.00 0.59 H new ATOM 0 HG23 VAL A 86 4.944 10.199 0.093 1.00 0.59 H new ATOM 1317 N LYS A 87 3.852 6.835 -3.169 1.00 0.60 N ATOM 1318 CA LYS A 87 3.531 5.610 -3.955 1.00 0.64 C ATOM 1319 C LYS A 87 4.556 5.446 -5.079 1.00 0.58 C ATOM 1320 O LYS A 87 5.315 4.497 -5.110 1.00 0.58 O ATOM 1321 CB LYS A 87 2.131 5.742 -4.558 1.00 0.79 C ATOM 1322 CG LYS A 87 1.082 5.454 -3.482 1.00 1.15 C ATOM 1323 CD LYS A 87 -0.307 5.409 -4.122 1.00 1.30 C ATOM 1324 CE LYS A 87 -0.656 6.788 -4.684 1.00 1.90 C ATOM 1325 NZ LYS A 87 -1.996 6.735 -5.333 1.00 2.63 N ATOM 0 H LYS A 87 3.142 7.567 -3.196 1.00 0.60 H new ATOM 0 HA LYS A 87 3.563 4.739 -3.301 1.00 0.64 H new ATOM 0 HB2 LYS A 87 1.990 6.746 -4.959 1.00 0.79 H new ATOM 0 HB3 LYS A 87 2.015 5.047 -5.389 1.00 0.79 H new ATOM 0 HG2 LYS A 87 1.299 4.505 -2.992 1.00 1.15 H new ATOM 0 HG3 LYS A 87 1.114 6.225 -2.712 1.00 1.15 H new ATOM 0 HD2 LYS A 87 -0.328 4.664 -4.918 1.00 1.30 H new ATOM 0 HD3 LYS A 87 -1.050 5.107 -3.383 1.00 1.30 H new ATOM 0 HE2 LYS A 87 -0.656 7.529 -3.885 1.00 1.90 H new ATOM 0 HE3 LYS A 87 0.098 7.099 -5.407 1.00 1.90 H new ATOM 0 HZ1 LYS A 87 -2.234 7.672 -5.715 1.00 2.63 H new ATOM 0 HZ2 LYS A 87 -1.980 6.040 -6.106 1.00 2.63 H new ATOM 0 HZ3 LYS A 87 -2.711 6.456 -4.631 1.00 2.63 H new ATOM 1339 N GLN A 88 4.585 6.368 -6.004 1.00 0.58 N ATOM 1340 CA GLN A 88 5.562 6.267 -7.123 1.00 0.55 C ATOM 1341 C GLN A 88 6.975 6.134 -6.552 1.00 0.48 C ATOM 1342 O GLN A 88 7.846 5.540 -7.155 1.00 0.53 O ATOM 1343 CB GLN A 88 5.477 7.525 -7.990 1.00 0.63 C ATOM 1344 CG GLN A 88 4.223 7.459 -8.864 1.00 1.10 C ATOM 1345 CD GLN A 88 4.349 8.459 -10.014 1.00 1.29 C ATOM 1346 OE1 GLN A 88 3.539 9.354 -10.148 1.00 1.76 O ATOM 1347 NE2 GLN A 88 5.340 8.344 -10.857 1.00 1.99 N ATOM 0 H GLN A 88 3.975 7.185 -6.032 1.00 0.58 H new ATOM 0 HA GLN A 88 5.331 5.392 -7.731 1.00 0.55 H new ATOM 0 HB2 GLN A 88 5.447 8.413 -7.359 1.00 0.63 H new ATOM 0 HB3 GLN A 88 6.365 7.609 -8.616 1.00 0.63 H new ATOM 0 HG2 GLN A 88 4.094 6.451 -9.257 1.00 1.10 H new ATOM 0 HG3 GLN A 88 3.339 7.684 -8.268 1.00 1.10 H new ATOM 0 HE21 GLN A 88 6.020 7.592 -10.745 1.00 1.99 H new ATOM 0 HE22 GLN A 88 5.433 9.006 -11.628 1.00 1.99 H new ATOM 1356 N ALA A 89 7.210 6.682 -5.390 1.00 0.41 N ATOM 1357 CA ALA A 89 8.566 6.585 -4.782 1.00 0.39 C ATOM 1358 C ALA A 89 8.904 5.113 -4.540 1.00 0.37 C ATOM 1359 O ALA A 89 9.993 4.663 -4.828 1.00 0.47 O ATOM 1360 CB ALA A 89 8.584 7.340 -3.452 1.00 0.38 C ATOM 0 H ALA A 89 6.521 7.192 -4.837 1.00 0.41 H new ATOM 0 HA ALA A 89 9.303 7.024 -5.455 1.00 0.39 H new ATOM 0 HB1 ALA A 89 9.576 7.269 -3.007 1.00 0.38 H new ATOM 0 HB2 ALA A 89 8.338 8.388 -3.625 1.00 0.38 H new ATOM 0 HB3 ALA A 89 7.851 6.902 -2.775 1.00 0.38 H new ATOM 1366 N LEU A 90 7.977 4.363 -4.012 1.00 0.33 N ATOM 1367 CA LEU A 90 8.233 2.922 -3.749 1.00 0.34 C ATOM 1368 C LEU A 90 8.355 2.181 -5.082 1.00 0.42 C ATOM 1369 O LEU A 90 9.074 1.209 -5.199 1.00 0.49 O ATOM 1370 CB LEU A 90 7.061 2.343 -2.952 1.00 0.34 C ATOM 1371 CG LEU A 90 7.269 2.581 -1.452 1.00 0.30 C ATOM 1372 CD1 LEU A 90 7.964 3.923 -1.215 1.00 0.29 C ATOM 1373 CD2 LEU A 90 5.911 2.591 -0.749 1.00 0.32 C ATOM 0 H LEU A 90 7.047 4.690 -3.750 1.00 0.33 H new ATOM 0 HA LEU A 90 9.156 2.807 -3.181 1.00 0.34 H new ATOM 0 HB2 LEU A 90 6.129 2.806 -3.275 1.00 0.34 H new ATOM 0 HB3 LEU A 90 6.971 1.275 -3.149 1.00 0.34 H new ATOM 0 HG LEU A 90 7.894 1.782 -1.053 1.00 0.30 H new ATOM 0 HD11 LEU A 90 8.104 4.076 -0.145 1.00 0.29 H new ATOM 0 HD12 LEU A 90 8.934 3.923 -1.712 1.00 0.29 H new ATOM 0 HD13 LEU A 90 7.350 4.727 -1.619 1.00 0.29 H new ATOM 0 HD21 LEU A 90 6.055 2.760 0.318 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.293 3.388 -1.163 1.00 0.32 H new ATOM 0 HD23 LEU A 90 5.416 1.632 -0.901 1.00 0.32 H new ATOM 1385 N ARG A 91 7.655 2.632 -6.087 1.00 0.46 N ATOM 1386 CA ARG A 91 7.728 1.953 -7.414 1.00 0.55 C ATOM 1387 C ARG A 91 9.171 1.977 -7.927 1.00 0.54 C ATOM 1388 O ARG A 91 9.765 0.948 -8.182 1.00 0.66 O ATOM 1389 CB ARG A 91 6.822 2.681 -8.409 1.00 0.61 C ATOM 1390 CG ARG A 91 6.825 1.935 -9.745 1.00 0.86 C ATOM 1391 CD ARG A 91 6.988 2.937 -10.889 1.00 1.36 C ATOM 1392 NE ARG A 91 7.395 2.215 -12.128 1.00 1.77 N ATOM 1393 CZ ARG A 91 6.832 2.508 -13.268 1.00 2.37 C ATOM 1394 NH1 ARG A 91 5.531 2.569 -13.357 1.00 3.06 N ATOM 1395 NH2 ARG A 91 7.569 2.738 -14.320 1.00 2.89 N ATOM 0 H ARG A 91 7.035 3.441 -6.047 1.00 0.46 H new ATOM 0 HA ARG A 91 7.399 0.919 -7.309 1.00 0.55 H new ATOM 0 HB2 ARG A 91 5.807 2.740 -8.016 1.00 0.61 H new ATOM 0 HB3 ARG A 91 7.169 3.704 -8.551 1.00 0.61 H new ATOM 0 HG2 ARG A 91 7.637 1.208 -9.766 1.00 0.86 H new ATOM 0 HG3 ARG A 91 5.896 1.378 -9.865 1.00 0.86 H new ATOM 0 HD2 ARG A 91 6.052 3.469 -11.057 1.00 1.36 H new ATOM 0 HD3 ARG A 91 7.737 3.684 -10.628 1.00 1.36 H new ATOM 0 HE ARG A 91 8.113 1.492 -12.085 1.00 1.77 H new ATOM 0 HH11 ARG A 91 4.955 2.388 -12.535 1.00 3.06 H new ATOM 0 HH12 ARG A 91 5.091 2.798 -14.248 1.00 3.06 H new ATOM 0 HH21 ARG A 91 8.585 2.689 -14.251 1.00 2.89 H new ATOM 0 HH22 ARG A 91 7.129 2.967 -15.211 1.00 2.89 H new ATOM 1409 N GLU A 92 9.738 3.142 -8.082 1.00 0.46 N ATOM 1410 CA GLU A 92 11.141 3.230 -8.580 1.00 0.48 C ATOM 1411 C GLU A 92 12.090 2.596 -7.560 1.00 0.43 C ATOM 1412 O GLU A 92 13.132 2.075 -7.906 1.00 0.46 O ATOM 1413 CB GLU A 92 11.518 4.699 -8.782 1.00 0.51 C ATOM 1414 CG GLU A 92 11.313 5.084 -10.248 1.00 1.21 C ATOM 1415 CD GLU A 92 12.656 5.476 -10.866 1.00 1.80 C ATOM 1416 OE1 GLU A 92 13.318 6.332 -10.301 1.00 2.32 O ATOM 1417 OE2 GLU A 92 13.001 4.914 -11.892 1.00 2.51 O ATOM 0 H GLU A 92 9.291 4.037 -7.885 1.00 0.46 H new ATOM 0 HA GLU A 92 11.222 2.698 -9.528 1.00 0.48 H new ATOM 0 HB2 GLU A 92 10.907 5.333 -8.140 1.00 0.51 H new ATOM 0 HB3 GLU A 92 12.557 4.861 -8.495 1.00 0.51 H new ATOM 0 HG2 GLU A 92 10.878 4.249 -10.797 1.00 1.21 H new ATOM 0 HG3 GLU A 92 10.611 5.914 -10.322 1.00 1.21 H new ATOM 1424 N ALA A 93 11.736 2.634 -6.304 1.00 0.41 N ATOM 1425 CA ALA A 93 12.615 2.033 -5.262 1.00 0.39 C ATOM 1426 C ALA A 93 12.671 0.517 -5.460 1.00 0.51 C ATOM 1427 O ALA A 93 13.643 -0.127 -5.116 1.00 0.58 O ATOM 1428 CB ALA A 93 12.055 2.358 -3.874 1.00 0.34 C ATOM 0 H ALA A 93 10.875 3.056 -5.955 1.00 0.41 H new ATOM 0 HA ALA A 93 13.621 2.444 -5.347 1.00 0.39 H new ATOM 0 HB1 ALA A 93 12.697 1.919 -3.111 1.00 0.34 H new ATOM 0 HB2 ALA A 93 12.019 3.439 -3.740 1.00 0.34 H new ATOM 0 HB3 ALA A 93 11.049 1.948 -3.782 1.00 0.34 H new ATOM 1434 N GLY A 94 11.640 -0.061 -6.015 1.00 0.58 N ATOM 1435 CA GLY A 94 11.643 -1.533 -6.237 1.00 0.73 C ATOM 1436 C GLY A 94 12.661 -1.871 -7.326 1.00 0.83 C ATOM 1437 O GLY A 94 13.303 -2.902 -7.293 1.00 0.97 O ATOM 0 H GLY A 94 10.797 0.423 -6.324 1.00 0.58 H new ATOM 0 HA2 GLY A 94 11.895 -2.052 -5.312 1.00 0.73 H new ATOM 0 HA3 GLY A 94 10.650 -1.871 -6.532 1.00 0.73 H new ATOM 1441 N ASP A 95 12.817 -1.004 -8.291 1.00 0.82 N ATOM 1442 CA ASP A 95 13.797 -1.270 -9.381 1.00 0.97 C ATOM 1443 C ASP A 95 15.211 -1.140 -8.824 1.00 0.94 C ATOM 1444 O ASP A 95 16.121 -1.812 -9.261 1.00 1.10 O ATOM 1445 CB ASP A 95 13.594 -0.259 -10.512 1.00 1.05 C ATOM 1446 CG ASP A 95 12.364 -0.650 -11.334 1.00 1.40 C ATOM 1447 OD1 ASP A 95 11.301 -0.776 -10.750 1.00 1.97 O ATOM 1448 OD2 ASP A 95 12.507 -0.817 -12.534 1.00 1.89 O ATOM 0 H ASP A 95 12.308 -0.124 -8.370 1.00 0.82 H new ATOM 0 HA ASP A 95 13.648 -2.277 -9.771 1.00 0.97 H new ATOM 0 HB2 ASP A 95 13.466 0.742 -10.100 1.00 1.05 H new ATOM 0 HB3 ASP A 95 14.477 -0.230 -11.151 1.00 1.05 H new ATOM 1453 N GLU A 96 15.402 -0.286 -7.854 1.00 0.85 N ATOM 1454 CA GLU A 96 16.761 -0.122 -7.265 1.00 0.92 C ATOM 1455 C GLU A 96 17.040 -1.247 -6.257 1.00 0.96 C ATOM 1456 O GLU A 96 18.089 -1.288 -5.645 1.00 1.24 O ATOM 1457 CB GLU A 96 16.852 1.231 -6.558 1.00 0.97 C ATOM 1458 CG GLU A 96 16.402 2.338 -7.514 1.00 1.37 C ATOM 1459 CD GLU A 96 17.548 3.330 -7.723 1.00 1.95 C ATOM 1460 OE1 GLU A 96 18.540 2.942 -8.318 1.00 2.63 O ATOM 1461 OE2 GLU A 96 17.414 4.461 -7.285 1.00 2.33 O ATOM 0 H GLU A 96 14.677 0.304 -7.445 1.00 0.85 H new ATOM 0 HA GLU A 96 17.502 -0.169 -8.063 1.00 0.92 H new ATOM 0 HB2 GLU A 96 16.226 1.230 -5.666 1.00 0.97 H new ATOM 0 HB3 GLU A 96 17.875 1.413 -6.229 1.00 0.97 H new ATOM 0 HG2 GLU A 96 16.101 1.908 -8.469 1.00 1.37 H new ATOM 0 HG3 GLU A 96 15.531 2.852 -7.107 1.00 1.37 H new ATOM 1468 N PHE A 97 16.125 -2.167 -6.079 1.00 0.82 N ATOM 1469 CA PHE A 97 16.366 -3.279 -5.120 1.00 0.90 C ATOM 1470 C PHE A 97 16.469 -4.607 -5.888 1.00 1.30 C ATOM 1471 O PHE A 97 16.975 -5.587 -5.377 1.00 1.62 O ATOM 1472 CB PHE A 97 15.206 -3.355 -4.125 1.00 0.71 C ATOM 1473 CG PHE A 97 15.753 -3.471 -2.722 1.00 0.63 C ATOM 1474 CD1 PHE A 97 16.666 -4.485 -2.408 1.00 1.20 C ATOM 1475 CD2 PHE A 97 15.348 -2.564 -1.736 1.00 1.58 C ATOM 1476 CE1 PHE A 97 17.173 -4.593 -1.107 1.00 1.25 C ATOM 1477 CE2 PHE A 97 15.856 -2.671 -0.435 1.00 1.88 C ATOM 1478 CZ PHE A 97 16.768 -3.686 -0.121 1.00 1.26 C ATOM 0 H PHE A 97 15.224 -2.193 -6.557 1.00 0.82 H new ATOM 0 HA PHE A 97 17.296 -3.098 -4.582 1.00 0.90 H new ATOM 0 HB2 PHE A 97 14.581 -2.466 -4.211 1.00 0.71 H new ATOM 0 HB3 PHE A 97 14.573 -4.213 -4.352 1.00 0.71 H new ATOM 0 HD1 PHE A 97 16.979 -5.184 -3.169 1.00 1.20 H new ATOM 0 HD2 PHE A 97 14.644 -1.782 -1.978 1.00 1.58 H new ATOM 0 HE1 PHE A 97 17.876 -5.376 -0.865 1.00 1.25 H new ATOM 0 HE2 PHE A 97 15.544 -1.971 0.326 1.00 1.88 H new ATOM 0 HZ PHE A 97 17.159 -3.769 0.882 1.00 1.26 H new ATOM 1488 N GLU A 98 15.989 -4.655 -7.109 1.00 1.51 N ATOM 1489 CA GLU A 98 16.060 -5.924 -7.891 1.00 2.00 C ATOM 1490 C GLU A 98 17.228 -5.879 -8.885 1.00 2.02 C ATOM 1491 O GLU A 98 17.118 -6.351 -10.000 1.00 2.44 O ATOM 1492 CB GLU A 98 14.751 -6.118 -8.658 1.00 2.39 C ATOM 1493 CG GLU A 98 13.756 -6.883 -7.783 1.00 3.10 C ATOM 1494 CD GLU A 98 12.715 -7.568 -8.671 1.00 3.44 C ATOM 1495 OE1 GLU A 98 13.060 -7.927 -9.785 1.00 3.75 O ATOM 1496 OE2 GLU A 98 11.591 -7.721 -8.223 1.00 3.86 O ATOM 0 H GLU A 98 15.553 -3.871 -7.594 1.00 1.51 H new ATOM 0 HA GLU A 98 16.217 -6.754 -7.202 1.00 2.00 H new ATOM 0 HB2 GLU A 98 14.335 -5.151 -8.940 1.00 2.39 H new ATOM 0 HB3 GLU A 98 14.936 -6.666 -9.582 1.00 2.39 H new ATOM 0 HG2 GLU A 98 14.281 -7.625 -7.181 1.00 3.10 H new ATOM 0 HG3 GLU A 98 13.265 -6.200 -7.090 1.00 3.10 H new ATOM 1503 N LEU A 99 18.347 -5.331 -8.496 1.00 1.74 N ATOM 1504 CA LEU A 99 19.512 -5.279 -9.430 1.00 1.91 C ATOM 1505 C LEU A 99 20.729 -5.884 -8.727 1.00 1.86 C ATOM 1506 O LEU A 99 21.467 -6.662 -9.298 1.00 2.24 O ATOM 1507 CB LEU A 99 19.835 -3.833 -9.848 1.00 2.05 C ATOM 1508 CG LEU A 99 18.836 -2.846 -9.250 1.00 1.73 C ATOM 1509 CD1 LEU A 99 19.187 -2.593 -7.788 1.00 1.57 C ATOM 1510 CD2 LEU A 99 18.925 -1.528 -10.026 1.00 2.21 C ATOM 0 H LEU A 99 18.506 -4.918 -7.577 1.00 1.74 H new ATOM 0 HA LEU A 99 19.263 -5.842 -10.329 1.00 1.91 H new ATOM 0 HB2 LEU A 99 20.843 -3.575 -9.523 1.00 2.05 H new ATOM 0 HB3 LEU A 99 19.820 -3.755 -10.935 1.00 2.05 H new ATOM 0 HG LEU A 99 17.827 -3.252 -9.315 1.00 1.73 H new ATOM 0 HD11 LEU A 99 18.474 -1.888 -7.359 1.00 1.57 H new ATOM 0 HD12 LEU A 99 19.145 -3.532 -7.236 1.00 1.57 H new ATOM 0 HD13 LEU A 99 20.193 -2.178 -7.722 1.00 1.57 H new ATOM 0 HD21 LEU A 99 18.216 -0.812 -9.610 1.00 2.21 H new ATOM 0 HD22 LEU A 99 19.935 -1.126 -9.947 1.00 2.21 H new ATOM 0 HD23 LEU A 99 18.687 -1.706 -11.075 1.00 2.21 H new ATOM 1522 N ARG A 100 20.940 -5.534 -7.488 1.00 1.90 N ATOM 1523 CA ARG A 100 22.101 -6.087 -6.738 1.00 2.16 C ATOM 1524 C ARG A 100 21.585 -6.802 -5.488 1.00 1.86 C ATOM 1525 O ARG A 100 20.401 -7.024 -5.354 1.00 2.30 O ATOM 1526 CB ARG A 100 23.036 -4.947 -6.327 1.00 2.38 C ATOM 1527 CG ARG A 100 23.473 -4.169 -7.569 1.00 3.09 C ATOM 1528 CD ARG A 100 23.647 -2.691 -7.211 1.00 4.07 C ATOM 1529 NE ARG A 100 24.693 -2.555 -6.159 1.00 4.52 N ATOM 1530 CZ ARG A 100 25.264 -1.399 -5.952 1.00 5.16 C ATOM 1531 NH1 ARG A 100 26.320 -1.061 -6.639 1.00 5.35 N ATOM 1532 NH2 ARG A 100 24.778 -0.583 -5.058 1.00 5.88 N ATOM 0 H ARG A 100 20.355 -4.886 -6.961 1.00 1.90 H new ATOM 0 HA ARG A 100 22.649 -6.789 -7.367 1.00 2.16 H new ATOM 0 HB2 ARG A 100 22.529 -4.281 -5.628 1.00 2.38 H new ATOM 0 HB3 ARG A 100 23.908 -5.347 -5.810 1.00 2.38 H new ATOM 0 HG2 ARG A 100 24.409 -4.574 -7.954 1.00 3.09 H new ATOM 0 HG3 ARG A 100 22.730 -4.278 -8.359 1.00 3.09 H new ATOM 0 HD2 ARG A 100 23.930 -2.122 -8.097 1.00 4.07 H new ATOM 0 HD3 ARG A 100 22.703 -2.278 -6.856 1.00 4.07 H new ATOM 0 HE ARG A 100 24.963 -3.365 -5.601 1.00 4.52 H new ATOM 0 HH11 ARG A 100 26.700 -1.700 -7.338 1.00 5.35 H new ATOM 0 HH12 ARG A 100 26.766 -0.158 -6.477 1.00 5.35 H new ATOM 0 HH21 ARG A 100 23.952 -0.848 -4.521 1.00 5.88 H new ATOM 0 HH22 ARG A 100 25.224 0.320 -4.896 1.00 5.88 H new ATOM 1546 N TYR A 101 22.472 -7.154 -4.585 1.00 1.68 N ATOM 1547 CA TYR A 101 22.078 -7.860 -3.318 1.00 1.44 C ATOM 1548 C TYR A 101 21.853 -9.355 -3.585 1.00 1.60 C ATOM 1549 O TYR A 101 22.652 -10.173 -3.181 1.00 2.22 O ATOM 1550 CB TYR A 101 20.812 -7.236 -2.712 1.00 1.75 C ATOM 1551 CG TYR A 101 20.907 -5.731 -2.779 1.00 2.93 C ATOM 1552 CD1 TYR A 101 21.942 -5.065 -2.111 1.00 3.58 C ATOM 1553 CD2 TYR A 101 19.960 -5.001 -3.507 1.00 3.82 C ATOM 1554 CE1 TYR A 101 22.030 -3.669 -2.172 1.00 4.79 C ATOM 1555 CE2 TYR A 101 20.047 -3.605 -3.567 1.00 5.04 C ATOM 1556 CZ TYR A 101 21.083 -2.939 -2.900 1.00 5.43 C ATOM 1557 OH TYR A 101 21.169 -1.563 -2.959 1.00 6.70 O ATOM 0 H TYR A 101 23.473 -6.979 -4.674 1.00 1.68 H new ATOM 0 HA TYR A 101 22.893 -7.748 -2.603 1.00 1.44 H new ATOM 0 HB2 TYR A 101 19.930 -7.579 -3.253 1.00 1.75 H new ATOM 0 HB3 TYR A 101 20.696 -7.557 -1.677 1.00 1.75 H new ATOM 0 HD1 TYR A 101 22.672 -5.628 -1.549 1.00 3.58 H new ATOM 0 HD2 TYR A 101 19.162 -5.515 -4.022 1.00 3.82 H new ATOM 0 HE1 TYR A 101 22.829 -3.155 -1.657 1.00 4.79 H new ATOM 0 HE2 TYR A 101 19.315 -3.042 -4.127 1.00 5.04 H new ATOM 0 HH TYR A 101 20.435 -1.213 -3.506 1.00 6.70 H new ATOM 1567 N ARG A 102 20.774 -9.709 -4.252 1.00 1.83 N ATOM 1568 CA ARG A 102 20.469 -11.147 -4.554 1.00 2.52 C ATOM 1569 C ARG A 102 19.876 -11.818 -3.307 1.00 2.37 C ATOM 1570 O ARG A 102 18.686 -12.051 -3.233 1.00 3.19 O ATOM 1571 CB ARG A 102 21.728 -11.893 -5.022 1.00 3.30 C ATOM 1572 CG ARG A 102 22.513 -11.011 -5.995 1.00 3.91 C ATOM 1573 CD ARG A 102 23.329 -11.895 -6.941 1.00 4.82 C ATOM 1574 NE ARG A 102 24.501 -12.454 -6.210 1.00 5.38 N ATOM 1575 CZ ARG A 102 25.401 -11.653 -5.709 1.00 6.01 C ATOM 1576 NH1 ARG A 102 26.321 -11.141 -6.480 1.00 6.67 N ATOM 1577 NH2 ARG A 102 25.381 -11.363 -4.436 1.00 6.28 N ATOM 0 H ARG A 102 20.081 -9.049 -4.605 1.00 1.83 H new ATOM 0 HA ARG A 102 19.741 -11.188 -5.365 1.00 2.52 H new ATOM 0 HB2 ARG A 102 22.350 -12.150 -4.165 1.00 3.30 H new ATOM 0 HB3 ARG A 102 21.450 -12.829 -5.507 1.00 3.30 H new ATOM 0 HG2 ARG A 102 21.829 -10.383 -6.566 1.00 3.91 H new ATOM 0 HG3 ARG A 102 23.174 -10.342 -5.444 1.00 3.91 H new ATOM 0 HD2 ARG A 102 22.708 -12.703 -7.327 1.00 4.82 H new ATOM 0 HD3 ARG A 102 23.666 -11.314 -7.800 1.00 4.82 H new ATOM 0 HE ARG A 102 24.600 -13.463 -6.101 1.00 5.38 H new ATOM 0 HH11 ARG A 102 26.337 -11.367 -7.475 1.00 6.67 H new ATOM 0 HH12 ARG A 102 27.024 -10.515 -6.088 1.00 6.67 H new ATOM 0 HH21 ARG A 102 24.662 -11.763 -3.833 1.00 6.28 H new ATOM 0 HH22 ARG A 102 26.085 -10.737 -4.044 1.00 6.28 H new ATOM 1591 N ARG A 103 20.680 -12.129 -2.325 1.00 1.75 N ATOM 1592 CA ARG A 103 20.138 -12.775 -1.099 1.00 2.01 C ATOM 1593 C ARG A 103 19.206 -11.783 -0.388 1.00 1.69 C ATOM 1594 O ARG A 103 18.645 -10.911 -1.019 1.00 2.39 O ATOM 1595 CB ARG A 103 21.302 -13.159 -0.181 1.00 2.64 C ATOM 1596 CG ARG A 103 22.376 -13.885 -0.995 1.00 3.40 C ATOM 1597 CD ARG A 103 23.047 -14.947 -0.122 1.00 4.19 C ATOM 1598 NE ARG A 103 22.936 -16.277 -0.785 1.00 4.65 N ATOM 1599 CZ ARG A 103 23.831 -16.648 -1.660 1.00 5.41 C ATOM 1600 NH1 ARG A 103 24.898 -17.290 -1.270 1.00 5.84 N ATOM 1601 NH2 ARG A 103 23.659 -16.376 -2.925 1.00 6.06 N ATOM 0 H ARG A 103 21.686 -11.963 -2.321 1.00 1.75 H new ATOM 0 HA ARG A 103 19.577 -13.673 -1.357 1.00 2.01 H new ATOM 0 HB2 ARG A 103 21.723 -12.267 0.283 1.00 2.64 H new ATOM 0 HB3 ARG A 103 20.947 -13.800 0.626 1.00 2.64 H new ATOM 0 HG2 ARG A 103 21.929 -14.350 -1.873 1.00 3.40 H new ATOM 0 HG3 ARG A 103 23.118 -13.173 -1.355 1.00 3.40 H new ATOM 0 HD2 ARG A 103 24.095 -14.694 0.036 1.00 4.19 H new ATOM 0 HD3 ARG A 103 22.575 -14.978 0.860 1.00 4.19 H new ATOM 0 HE ARG A 103 22.160 -16.898 -0.555 1.00 4.65 H new ATOM 0 HH11 ARG A 103 25.033 -17.502 -0.281 1.00 5.84 H new ATOM 0 HH12 ARG A 103 25.597 -17.580 -1.954 1.00 5.84 H new ATOM 0 HH21 ARG A 103 22.825 -15.874 -3.230 1.00 6.06 H new ATOM 0 HH22 ARG A 103 24.358 -16.666 -3.609 1.00 6.06 H new ATOM 1615 N ALA A 104 19.043 -11.915 0.913 1.00 1.11 N ATOM 1616 CA ALA A 104 18.153 -10.992 1.692 1.00 0.93 C ATOM 1617 C ALA A 104 16.685 -11.407 1.530 1.00 0.80 C ATOM 1618 O ALA A 104 16.096 -11.949 2.441 1.00 1.38 O ATOM 1619 CB ALA A 104 18.346 -9.539 1.242 1.00 0.91 C ATOM 0 H ALA A 104 19.498 -12.636 1.474 1.00 1.11 H new ATOM 0 HA ALA A 104 18.426 -11.063 2.745 1.00 0.93 H new ATOM 0 HB1 ALA A 104 17.690 -8.889 1.821 1.00 0.91 H new ATOM 0 HB2 ALA A 104 19.383 -9.243 1.401 1.00 0.91 H new ATOM 0 HB3 ALA A 104 18.102 -9.451 0.183 1.00 0.91 H new ATOM 1625 N PHE A 105 16.080 -11.167 0.395 1.00 0.75 N ATOM 1626 CA PHE A 105 14.653 -11.569 0.228 1.00 0.57 C ATOM 1627 C PHE A 105 14.562 -13.091 0.102 1.00 0.57 C ATOM 1628 O PHE A 105 13.552 -13.685 0.411 1.00 0.57 O ATOM 1629 CB PHE A 105 14.063 -10.916 -1.025 1.00 0.57 C ATOM 1630 CG PHE A 105 14.021 -9.419 -0.848 1.00 0.52 C ATOM 1631 CD1 PHE A 105 13.538 -8.866 0.345 1.00 1.20 C ATOM 1632 CD2 PHE A 105 14.464 -8.582 -1.878 1.00 1.33 C ATOM 1633 CE1 PHE A 105 13.500 -7.478 0.506 1.00 1.19 C ATOM 1634 CE2 PHE A 105 14.425 -7.193 -1.716 1.00 1.34 C ATOM 1635 CZ PHE A 105 13.942 -6.642 -0.524 1.00 0.53 C ATOM 0 H PHE A 105 16.507 -10.716 -0.414 1.00 0.75 H new ATOM 0 HA PHE A 105 14.088 -11.239 1.099 1.00 0.57 H new ATOM 0 HB2 PHE A 105 14.665 -11.172 -1.897 1.00 0.57 H new ATOM 0 HB3 PHE A 105 13.059 -11.298 -1.207 1.00 0.57 H new ATOM 0 HD1 PHE A 105 13.195 -9.512 1.140 1.00 1.20 H new ATOM 0 HD2 PHE A 105 14.836 -9.008 -2.798 1.00 1.33 H new ATOM 0 HE1 PHE A 105 13.129 -7.051 1.426 1.00 1.19 H new ATOM 0 HE2 PHE A 105 14.767 -6.546 -2.510 1.00 1.34 H new ATOM 0 HZ PHE A 105 13.911 -5.570 -0.399 1.00 0.53 H new ATOM 1645 N SER A 106 15.609 -13.730 -0.346 1.00 0.69 N ATOM 1646 CA SER A 106 15.569 -15.212 -0.480 1.00 0.76 C ATOM 1647 C SER A 106 15.651 -15.846 0.912 1.00 0.73 C ATOM 1648 O SER A 106 15.169 -16.939 1.136 1.00 1.00 O ATOM 1649 CB SER A 106 16.753 -15.680 -1.326 1.00 0.89 C ATOM 1650 OG SER A 106 16.555 -17.036 -1.702 1.00 1.68 O ATOM 0 H SER A 106 16.487 -13.291 -0.624 1.00 0.69 H new ATOM 0 HA SER A 106 14.639 -15.512 -0.964 1.00 0.76 H new ATOM 0 HB2 SER A 106 16.850 -15.055 -2.214 1.00 0.89 H new ATOM 0 HB3 SER A 106 17.680 -15.579 -0.762 1.00 0.89 H new ATOM 0 HG SER A 106 17.312 -17.339 -2.246 1.00 1.68 H new ATOM 1656 N ASP A 107 16.259 -15.168 1.850 1.00 0.67 N ATOM 1657 CA ASP A 107 16.374 -15.727 3.226 1.00 0.66 C ATOM 1658 C ASP A 107 15.079 -15.465 3.999 1.00 0.60 C ATOM 1659 O ASP A 107 14.587 -16.318 4.710 1.00 0.62 O ATOM 1660 CB ASP A 107 17.543 -15.052 3.947 1.00 0.69 C ATOM 1661 CG ASP A 107 18.073 -15.979 5.043 1.00 0.75 C ATOM 1662 OD1 ASP A 107 18.147 -17.171 4.799 1.00 1.34 O ATOM 1663 OD2 ASP A 107 18.395 -15.480 6.109 1.00 1.32 O ATOM 0 H ASP A 107 16.681 -14.249 1.720 1.00 0.67 H new ATOM 0 HA ASP A 107 16.547 -16.802 3.169 1.00 0.66 H new ATOM 0 HB2 ASP A 107 18.337 -14.821 3.237 1.00 0.69 H new ATOM 0 HB3 ASP A 107 17.219 -14.107 4.382 1.00 0.69 H new ATOM 1668 N LEU A 108 14.522 -14.292 3.864 1.00 0.56 N ATOM 1669 CA LEU A 108 13.258 -13.980 4.590 1.00 0.54 C ATOM 1670 C LEU A 108 12.170 -14.936 4.109 1.00 0.53 C ATOM 1671 O LEU A 108 11.487 -15.566 4.892 1.00 0.61 O ATOM 1672 CB LEU A 108 12.833 -12.541 4.291 1.00 0.56 C ATOM 1673 CG LEU A 108 13.947 -11.575 4.698 1.00 0.69 C ATOM 1674 CD1 LEU A 108 13.684 -10.205 4.072 1.00 0.78 C ATOM 1675 CD2 LEU A 108 13.975 -11.442 6.222 1.00 1.15 C ATOM 0 H LEU A 108 14.887 -13.537 3.283 1.00 0.56 H new ATOM 0 HA LEU A 108 13.412 -14.093 5.663 1.00 0.54 H new ATOM 0 HB2 LEU A 108 12.614 -12.430 3.229 1.00 0.56 H new ATOM 0 HB3 LEU A 108 11.917 -12.303 4.832 1.00 0.56 H new ATOM 0 HG LEU A 108 14.906 -11.957 4.349 1.00 0.69 H new ATOM 0 HD11 LEU A 108 14.477 -9.515 4.361 1.00 0.78 H new ATOM 0 HD12 LEU A 108 13.662 -10.299 2.986 1.00 0.78 H new ATOM 0 HD13 LEU A 108 12.725 -9.823 4.422 1.00 0.78 H new ATOM 0 HD21 LEU A 108 14.769 -10.754 6.513 1.00 1.15 H new ATOM 0 HD22 LEU A 108 13.016 -11.059 6.571 1.00 1.15 H new ATOM 0 HD23 LEU A 108 14.160 -12.419 6.669 1.00 1.15 H new ATOM 1687 N THR A 109 12.011 -15.049 2.821 1.00 0.54 N ATOM 1688 CA THR A 109 10.977 -15.964 2.272 1.00 0.57 C ATOM 1689 C THR A 109 11.324 -17.402 2.669 1.00 0.57 C ATOM 1690 O THR A 109 10.460 -18.244 2.808 1.00 0.58 O ATOM 1691 CB THR A 109 10.945 -15.841 0.744 1.00 0.68 C ATOM 1692 OG1 THR A 109 12.147 -16.373 0.204 1.00 0.80 O ATOM 1693 CG2 THR A 109 10.811 -14.367 0.341 1.00 0.62 C ATOM 0 H THR A 109 12.556 -14.544 2.122 1.00 0.54 H new ATOM 0 HA THR A 109 9.998 -15.700 2.672 1.00 0.57 H new ATOM 0 HB THR A 109 10.091 -16.396 0.356 1.00 0.68 H new ATOM 0 HG1 THR A 109 12.829 -15.670 0.168 1.00 0.80 H new ATOM 0 HG21 THR A 109 10.789 -14.288 -0.746 1.00 0.62 H new ATOM 0 HG22 THR A 109 9.888 -13.960 0.753 1.00 0.62 H new ATOM 0 HG23 THR A 109 11.661 -13.805 0.729 1.00 0.62 H new ATOM 1701 N SER A 110 12.587 -17.689 2.856 1.00 0.61 N ATOM 1702 CA SER A 110 12.989 -19.069 3.249 1.00 0.65 C ATOM 1703 C SER A 110 12.536 -19.340 4.687 1.00 0.55 C ATOM 1704 O SER A 110 12.250 -20.461 5.058 1.00 0.58 O ATOM 1705 CB SER A 110 14.510 -19.201 3.162 1.00 0.79 C ATOM 1706 OG SER A 110 14.880 -20.550 3.413 1.00 1.44 O ATOM 0 H SER A 110 13.355 -17.026 2.753 1.00 0.61 H new ATOM 0 HA SER A 110 12.523 -19.790 2.577 1.00 0.65 H new ATOM 0 HB2 SER A 110 14.857 -18.894 2.175 1.00 0.79 H new ATOM 0 HB3 SER A 110 14.986 -18.541 3.887 1.00 0.79 H new ATOM 0 HG SER A 110 15.854 -20.638 3.356 1.00 1.44 H new ATOM 1712 N GLN A 111 12.468 -18.318 5.497 1.00 0.55 N ATOM 1713 CA GLN A 111 12.034 -18.504 6.910 1.00 0.52 C ATOM 1714 C GLN A 111 10.549 -18.161 7.029 1.00 0.59 C ATOM 1715 O GLN A 111 10.116 -17.565 7.995 1.00 1.04 O ATOM 1716 CB GLN A 111 12.842 -17.570 7.815 1.00 0.53 C ATOM 1717 CG GLN A 111 14.318 -17.968 7.774 1.00 0.71 C ATOM 1718 CD GLN A 111 15.186 -16.709 7.714 1.00 0.92 C ATOM 1719 OE1 GLN A 111 14.784 -15.705 7.161 1.00 1.33 O ATOM 1720 NE2 GLN A 111 16.370 -16.721 8.263 1.00 1.43 N ATOM 0 H GLN A 111 12.696 -17.358 5.239 1.00 0.55 H new ATOM 0 HA GLN A 111 12.198 -19.539 7.211 1.00 0.52 H new ATOM 0 HB2 GLN A 111 12.724 -16.537 7.487 1.00 0.53 H new ATOM 0 HB3 GLN A 111 12.468 -17.624 8.837 1.00 0.53 H new ATOM 0 HG2 GLN A 111 14.572 -18.555 8.656 1.00 0.71 H new ATOM 0 HG3 GLN A 111 14.512 -18.598 6.906 1.00 0.71 H new ATOM 0 HE21 GLN A 111 16.708 -17.564 8.728 1.00 1.43 H new ATOM 0 HE22 GLN A 111 16.957 -15.888 8.228 1.00 1.43 H new ATOM 1729 N LEU A 112 9.764 -18.527 6.053 1.00 0.59 N ATOM 1730 CA LEU A 112 8.310 -18.213 6.115 1.00 0.69 C ATOM 1731 C LEU A 112 7.525 -19.209 5.257 1.00 0.71 C ATOM 1732 O LEU A 112 6.722 -19.972 5.757 1.00 1.06 O ATOM 1733 CB LEU A 112 8.090 -16.787 5.597 1.00 0.95 C ATOM 1734 CG LEU A 112 6.656 -16.618 5.086 1.00 0.61 C ATOM 1735 CD1 LEU A 112 5.665 -17.061 6.164 1.00 0.65 C ATOM 1736 CD2 LEU A 112 6.414 -15.146 4.756 1.00 1.09 C ATOM 0 H LEU A 112 10.066 -19.029 5.218 1.00 0.59 H new ATOM 0 HA LEU A 112 7.959 -18.288 7.144 1.00 0.69 H new ATOM 0 HB2 LEU A 112 8.285 -16.070 6.394 1.00 0.95 H new ATOM 0 HB3 LEU A 112 8.796 -16.572 4.795 1.00 0.95 H new ATOM 0 HG LEU A 112 6.515 -17.229 4.194 1.00 0.61 H new ATOM 0 HD11 LEU A 112 4.647 -16.938 5.795 1.00 0.65 H new ATOM 0 HD12 LEU A 112 5.838 -18.109 6.409 1.00 0.65 H new ATOM 0 HD13 LEU A 112 5.803 -16.452 7.057 1.00 0.65 H new ATOM 0 HD21 LEU A 112 5.395 -15.018 4.391 1.00 1.09 H new ATOM 0 HD22 LEU A 112 6.557 -14.544 5.653 1.00 1.09 H new ATOM 0 HD23 LEU A 112 7.117 -14.825 3.988 1.00 1.09 H new ATOM 1748 N HIS A 113 7.744 -19.207 3.971 1.00 0.67 N ATOM 1749 CA HIS A 113 7.001 -20.152 3.089 1.00 0.75 C ATOM 1750 C HIS A 113 5.516 -19.791 3.120 1.00 0.62 C ATOM 1751 O HIS A 113 4.710 -20.479 3.716 1.00 0.90 O ATOM 1752 CB HIS A 113 7.193 -21.585 3.591 1.00 0.98 C ATOM 1753 CG HIS A 113 7.125 -22.537 2.428 1.00 1.27 C ATOM 1754 ND1 HIS A 113 7.676 -23.808 2.480 1.00 2.16 N ATOM 1755 CD2 HIS A 113 6.574 -22.418 1.176 1.00 1.61 C ATOM 1756 CE1 HIS A 113 7.447 -24.398 1.293 1.00 2.39 C ATOM 1757 NE2 HIS A 113 6.779 -23.595 0.461 1.00 2.06 N ATOM 0 H HIS A 113 8.404 -18.593 3.493 1.00 0.67 H new ATOM 0 HA HIS A 113 7.378 -20.080 2.069 1.00 0.75 H new ATOM 0 HB2 HIS A 113 8.154 -21.679 4.096 1.00 0.98 H new ATOM 0 HB3 HIS A 113 6.423 -21.832 4.322 1.00 0.98 H new ATOM 0 HD2 HIS A 113 6.060 -21.545 0.803 1.00 1.61 H new ATOM 0 HE1 HIS A 113 7.765 -25.400 1.043 1.00 2.39 H new ATOM 0 HE2 HIS A 113 6.483 -23.800 -0.493 1.00 2.06 H new ATOM 1765 N ILE A 114 5.149 -18.712 2.486 1.00 0.71 N ATOM 1766 CA ILE A 114 3.718 -18.296 2.479 1.00 0.59 C ATOM 1767 C ILE A 114 2.861 -19.404 1.863 1.00 0.69 C ATOM 1768 O ILE A 114 3.215 -19.991 0.860 1.00 1.28 O ATOM 1769 CB ILE A 114 3.558 -17.018 1.652 1.00 0.64 C ATOM 1770 CG1 ILE A 114 4.538 -15.945 2.154 1.00 0.78 C ATOM 1771 CG2 ILE A 114 2.117 -16.515 1.771 1.00 0.57 C ATOM 1772 CD1 ILE A 114 3.799 -14.896 2.988 1.00 1.04 C ATOM 0 H ILE A 114 5.780 -18.098 1.971 1.00 0.71 H new ATOM 0 HA ILE A 114 3.395 -18.112 3.504 1.00 0.59 H new ATOM 0 HB ILE A 114 3.779 -17.230 0.606 1.00 0.64 H new ATOM 0 HG12 ILE A 114 5.321 -16.410 2.753 1.00 0.78 H new ATOM 0 HG13 ILE A 114 5.028 -15.466 1.306 1.00 0.78 H new ATOM 0 HG21 ILE A 114 2.000 -15.605 1.183 1.00 0.57 H new ATOM 0 HG22 ILE A 114 1.433 -17.278 1.399 1.00 0.57 H new ATOM 0 HG23 ILE A 114 1.891 -16.304 2.816 1.00 0.57 H new ATOM 0 HD11 ILE A 114 4.507 -14.143 3.336 1.00 1.04 H new ATOM 0 HD12 ILE A 114 3.033 -14.419 2.377 1.00 1.04 H new ATOM 0 HD13 ILE A 114 3.330 -15.378 3.846 1.00 1.04 H new ATOM 1784 N THR A 115 1.735 -19.691 2.458 1.00 0.59 N ATOM 1785 CA THR A 115 0.847 -20.758 1.913 1.00 0.61 C ATOM 1786 C THR A 115 -0.389 -20.886 2.804 1.00 0.54 C ATOM 1787 O THR A 115 -0.435 -20.331 3.881 1.00 0.54 O ATOM 1788 CB THR A 115 1.597 -22.094 1.889 1.00 0.72 C ATOM 1789 OG1 THR A 115 2.751 -22.004 2.714 1.00 1.19 O ATOM 1790 CG2 THR A 115 2.017 -22.423 0.455 1.00 1.00 C ATOM 0 H THR A 115 1.391 -19.231 3.301 1.00 0.59 H new ATOM 0 HA THR A 115 0.546 -20.497 0.898 1.00 0.61 H new ATOM 0 HB THR A 115 0.944 -22.882 2.262 1.00 0.72 H new ATOM 0 HG1 THR A 115 3.231 -22.859 2.700 1.00 1.19 H new ATOM 0 HG21 THR A 115 2.550 -23.374 0.441 1.00 1.00 H new ATOM 0 HG22 THR A 115 1.131 -22.494 -0.176 1.00 1.00 H new ATOM 0 HG23 THR A 115 2.669 -21.636 0.077 1.00 1.00 H new ATOM 1798 N PRO A 116 -1.356 -21.618 2.323 1.00 0.62 N ATOM 1799 CA PRO A 116 -2.616 -21.855 3.039 1.00 0.72 C ATOM 1800 C PRO A 116 -2.327 -22.378 4.451 1.00 0.78 C ATOM 1801 O PRO A 116 -2.054 -23.546 4.644 1.00 1.55 O ATOM 1802 CB PRO A 116 -3.362 -22.911 2.228 1.00 0.82 C ATOM 1803 CG PRO A 116 -2.751 -22.756 0.814 1.00 0.86 C ATOM 1804 CD PRO A 116 -1.290 -22.285 1.006 1.00 0.75 C ATOM 0 HA PRO A 116 -3.201 -20.941 3.142 1.00 0.72 H new ATOM 0 HB2 PRO A 116 -3.206 -23.913 2.628 1.00 0.82 H new ATOM 0 HB3 PRO A 116 -4.437 -22.733 2.225 1.00 0.82 H new ATOM 0 HG2 PRO A 116 -2.784 -23.702 0.273 1.00 0.86 H new ATOM 0 HG3 PRO A 116 -3.316 -22.033 0.226 1.00 0.86 H new ATOM 0 HD2 PRO A 116 -0.588 -23.119 1.005 1.00 0.75 H new ATOM 0 HD3 PRO A 116 -0.974 -21.602 0.218 1.00 0.75 H new ATOM 1812 N GLY A 117 -2.385 -21.526 5.439 1.00 0.84 N ATOM 1813 CA GLY A 117 -2.113 -21.984 6.833 1.00 0.82 C ATOM 1814 C GLY A 117 -1.257 -20.944 7.559 1.00 0.79 C ATOM 1815 O GLY A 117 -1.526 -20.585 8.689 1.00 1.40 O ATOM 0 H GLY A 117 -2.608 -20.535 5.342 1.00 0.84 H new ATOM 0 HA2 GLY A 117 -3.052 -22.133 7.367 1.00 0.82 H new ATOM 0 HA3 GLY A 117 -1.599 -22.945 6.817 1.00 0.82 H new ATOM 1819 N THR A 118 -0.227 -20.460 6.917 1.00 0.67 N ATOM 1820 CA THR A 118 0.655 -19.442 7.559 1.00 0.56 C ATOM 1821 C THR A 118 -0.192 -18.284 8.090 1.00 0.53 C ATOM 1822 O THR A 118 -1.386 -18.224 7.875 1.00 0.71 O ATOM 1823 CB THR A 118 1.649 -18.900 6.527 1.00 0.50 C ATOM 1824 OG1 THR A 118 1.991 -19.930 5.610 1.00 0.51 O ATOM 1825 CG2 THR A 118 2.911 -18.410 7.238 1.00 0.58 C ATOM 0 H THR A 118 0.043 -20.728 5.970 1.00 0.67 H new ATOM 0 HA THR A 118 1.195 -19.909 8.383 1.00 0.56 H new ATOM 0 HB THR A 118 1.193 -18.070 5.987 1.00 0.50 H new ATOM 0 HG1 THR A 118 2.626 -19.582 4.949 1.00 0.51 H new ATOM 0 HG21 THR A 118 3.617 -18.025 6.502 1.00 0.58 H new ATOM 0 HG22 THR A 118 2.649 -17.618 7.939 1.00 0.58 H new ATOM 0 HG23 THR A 118 3.368 -19.238 7.780 1.00 0.58 H new ATOM 1833 N ALA A 119 0.418 -17.361 8.782 1.00 0.40 N ATOM 1834 CA ALA A 119 -0.352 -16.209 9.324 1.00 0.39 C ATOM 1835 C ALA A 119 0.617 -15.098 9.739 1.00 0.34 C ATOM 1836 O ALA A 119 1.747 -15.050 9.293 1.00 0.35 O ATOM 1837 CB ALA A 119 -1.167 -16.669 10.533 1.00 0.48 C ATOM 0 H ALA A 119 1.416 -17.356 8.995 1.00 0.40 H new ATOM 0 HA ALA A 119 -1.028 -15.826 8.560 1.00 0.39 H new ATOM 0 HB1 ALA A 119 -1.732 -15.827 10.932 1.00 0.48 H new ATOM 0 HB2 ALA A 119 -1.856 -17.457 10.229 1.00 0.48 H new ATOM 0 HB3 ALA A 119 -0.495 -17.051 11.301 1.00 0.48 H new ATOM 1843 N TYR A 120 0.186 -14.202 10.585 1.00 0.39 N ATOM 1844 CA TYR A 120 1.083 -13.092 11.023 1.00 0.44 C ATOM 1845 C TYR A 120 2.082 -13.585 12.085 1.00 0.43 C ATOM 1846 O TYR A 120 2.911 -12.831 12.554 1.00 0.44 O ATOM 1847 CB TYR A 120 0.229 -11.968 11.614 1.00 0.61 C ATOM 1848 CG TYR A 120 1.116 -10.827 12.047 1.00 0.65 C ATOM 1849 CD1 TYR A 120 2.067 -10.305 11.163 1.00 1.56 C ATOM 1850 CD2 TYR A 120 0.987 -10.290 13.334 1.00 1.58 C ATOM 1851 CE1 TYR A 120 2.889 -9.245 11.565 1.00 2.14 C ATOM 1852 CE2 TYR A 120 1.809 -9.231 13.736 1.00 2.20 C ATOM 1853 CZ TYR A 120 2.760 -8.708 12.852 1.00 2.22 C ATOM 1854 OH TYR A 120 3.570 -7.664 13.249 1.00 3.04 O ATOM 0 H TYR A 120 -0.749 -14.190 10.993 1.00 0.39 H new ATOM 0 HA TYR A 120 1.644 -12.730 10.162 1.00 0.44 H new ATOM 0 HB2 TYR A 120 -0.492 -11.620 10.875 1.00 0.61 H new ATOM 0 HB3 TYR A 120 -0.341 -12.341 12.465 1.00 0.61 H new ATOM 0 HD1 TYR A 120 2.167 -10.720 10.171 1.00 1.56 H new ATOM 0 HD2 TYR A 120 0.253 -10.693 14.016 1.00 1.58 H new ATOM 0 HE1 TYR A 120 3.622 -8.842 10.883 1.00 2.14 H new ATOM 0 HE2 TYR A 120 1.710 -8.817 14.729 1.00 2.20 H new ATOM 0 HH TYR A 120 4.419 -7.705 12.761 1.00 3.04 H new ATOM 1864 N GLN A 121 2.018 -14.832 12.475 1.00 0.46 N ATOM 1865 CA GLN A 121 2.972 -15.334 13.506 1.00 0.51 C ATOM 1866 C GLN A 121 4.397 -15.352 12.944 1.00 0.46 C ATOM 1867 O GLN A 121 5.205 -14.497 13.247 1.00 0.47 O ATOM 1868 CB GLN A 121 2.571 -16.752 13.920 1.00 0.58 C ATOM 1869 CG GLN A 121 1.439 -16.683 14.947 1.00 0.87 C ATOM 1870 CD GLN A 121 1.951 -17.171 16.304 1.00 1.68 C ATOM 1871 OE1 GLN A 121 2.834 -16.571 16.884 1.00 2.38 O ATOM 1872 NE2 GLN A 121 1.429 -18.242 16.837 1.00 2.34 N ATOM 0 H GLN A 121 1.350 -15.520 12.126 1.00 0.46 H new ATOM 0 HA GLN A 121 2.940 -14.673 14.372 1.00 0.51 H new ATOM 0 HB2 GLN A 121 2.250 -17.320 13.047 1.00 0.58 H new ATOM 0 HB3 GLN A 121 3.429 -17.275 14.343 1.00 0.58 H new ATOM 0 HG2 GLN A 121 1.072 -15.660 15.031 1.00 0.87 H new ATOM 0 HG3 GLN A 121 0.600 -17.297 14.621 1.00 0.87 H new ATOM 0 HE21 GLN A 121 0.688 -18.745 16.349 1.00 2.34 H new ATOM 0 HE22 GLN A 121 1.762 -18.576 17.741 1.00 2.34 H new ATOM 1881 N SER A 122 4.712 -16.324 12.132 1.00 0.47 N ATOM 1882 CA SER A 122 6.086 -16.407 11.555 1.00 0.46 C ATOM 1883 C SER A 122 6.426 -15.116 10.803 1.00 0.40 C ATOM 1884 O SER A 122 7.536 -14.624 10.870 1.00 0.38 O ATOM 1885 CB SER A 122 6.157 -17.588 10.588 1.00 0.53 C ATOM 1886 OG SER A 122 6.740 -18.703 11.251 1.00 1.27 O ATOM 0 H SER A 122 4.076 -17.067 11.842 1.00 0.47 H new ATOM 0 HA SER A 122 6.803 -16.545 12.365 1.00 0.46 H new ATOM 0 HB2 SER A 122 5.158 -17.843 10.233 1.00 0.53 H new ATOM 0 HB3 SER A 122 6.748 -17.321 9.712 1.00 0.53 H new ATOM 0 HG SER A 122 6.786 -19.463 10.634 1.00 1.27 H new ATOM 1892 N PHE A 123 5.486 -14.567 10.085 1.00 0.41 N ATOM 1893 CA PHE A 123 5.767 -13.313 9.329 1.00 0.38 C ATOM 1894 C PHE A 123 6.198 -12.208 10.296 1.00 0.35 C ATOM 1895 O PHE A 123 7.025 -11.379 9.975 1.00 0.34 O ATOM 1896 CB PHE A 123 4.509 -12.872 8.580 1.00 0.43 C ATOM 1897 CG PHE A 123 4.869 -11.783 7.599 1.00 0.41 C ATOM 1898 CD1 PHE A 123 5.421 -12.114 6.356 1.00 1.20 C ATOM 1899 CD2 PHE A 123 4.652 -10.442 7.933 1.00 1.27 C ATOM 1900 CE1 PHE A 123 5.755 -11.103 5.447 1.00 1.22 C ATOM 1901 CE2 PHE A 123 4.987 -9.431 7.025 1.00 1.35 C ATOM 1902 CZ PHE A 123 5.538 -9.761 5.781 1.00 0.63 C ATOM 0 H PHE A 123 4.538 -14.931 9.989 1.00 0.41 H new ATOM 0 HA PHE A 123 6.569 -13.499 8.615 1.00 0.38 H new ATOM 0 HB2 PHE A 123 4.069 -13.720 8.055 1.00 0.43 H new ATOM 0 HB3 PHE A 123 3.760 -12.510 9.285 1.00 0.43 H new ATOM 0 HD1 PHE A 123 5.589 -13.149 6.098 1.00 1.20 H new ATOM 0 HD2 PHE A 123 4.226 -10.187 8.892 1.00 1.27 H new ATOM 0 HE1 PHE A 123 6.180 -11.359 4.488 1.00 1.22 H new ATOM 0 HE2 PHE A 123 4.820 -8.396 7.284 1.00 1.35 H new ATOM 0 HZ PHE A 123 5.795 -8.981 5.080 1.00 0.63 H new ATOM 1912 N GLU A 124 5.646 -12.187 11.477 1.00 0.36 N ATOM 1913 CA GLU A 124 6.029 -11.131 12.458 1.00 0.36 C ATOM 1914 C GLU A 124 7.447 -11.393 12.971 1.00 0.32 C ATOM 1915 O GLU A 124 8.158 -10.483 13.345 1.00 0.33 O ATOM 1916 CB GLU A 124 5.053 -11.150 13.635 1.00 0.43 C ATOM 1917 CG GLU A 124 5.384 -10.001 14.591 1.00 0.77 C ATOM 1918 CD GLU A 124 4.636 -10.202 15.909 1.00 1.17 C ATOM 1919 OE1 GLU A 124 4.424 -11.344 16.280 1.00 1.55 O ATOM 1920 OE2 GLU A 124 4.287 -9.209 16.527 1.00 1.98 O ATOM 0 H GLU A 124 4.947 -12.854 11.806 1.00 0.36 H new ATOM 0 HA GLU A 124 5.995 -10.157 11.970 1.00 0.36 H new ATOM 0 HB2 GLU A 124 4.029 -11.053 13.274 1.00 0.43 H new ATOM 0 HB3 GLU A 124 5.117 -12.103 14.159 1.00 0.43 H new ATOM 0 HG2 GLU A 124 6.458 -9.963 14.772 1.00 0.77 H new ATOM 0 HG3 GLU A 124 5.102 -9.048 14.143 1.00 0.77 H new ATOM 1927 N GLN A 125 7.863 -12.629 12.995 1.00 0.32 N ATOM 1928 CA GLN A 125 9.233 -12.950 13.488 1.00 0.32 C ATOM 1929 C GLN A 125 10.278 -12.486 12.469 1.00 0.29 C ATOM 1930 O GLN A 125 11.105 -11.641 12.755 1.00 0.29 O ATOM 1931 CB GLN A 125 9.359 -14.461 13.684 1.00 0.39 C ATOM 1932 CG GLN A 125 9.401 -14.781 15.180 1.00 0.56 C ATOM 1933 CD GLN A 125 10.150 -16.097 15.402 1.00 1.18 C ATOM 1934 OE1 GLN A 125 11.129 -16.372 14.738 1.00 2.07 O ATOM 1935 NE2 GLN A 125 9.728 -16.927 16.317 1.00 1.72 N ATOM 0 H GLN A 125 7.312 -13.433 12.694 1.00 0.32 H new ATOM 0 HA GLN A 125 9.401 -12.437 14.435 1.00 0.32 H new ATOM 0 HB2 GLN A 125 8.517 -14.970 13.216 1.00 0.39 H new ATOM 0 HB3 GLN A 125 10.263 -14.827 13.198 1.00 0.39 H new ATOM 0 HG2 GLN A 125 9.895 -13.974 15.721 1.00 0.56 H new ATOM 0 HG3 GLN A 125 8.388 -14.856 15.575 1.00 0.56 H new ATOM 0 HE21 GLN A 125 8.906 -16.696 16.875 1.00 1.72 H new ATOM 0 HE22 GLN A 125 10.221 -17.806 16.474 1.00 1.72 H new ATOM 1944 N VAL A 126 10.250 -13.035 11.284 1.00 0.30 N ATOM 1945 CA VAL A 126 11.245 -12.627 10.249 1.00 0.31 C ATOM 1946 C VAL A 126 11.204 -11.107 10.076 1.00 0.28 C ATOM 1947 O VAL A 126 12.220 -10.435 10.107 1.00 0.30 O ATOM 1948 CB VAL A 126 10.906 -13.301 8.917 1.00 0.35 C ATOM 1949 CG1 VAL A 126 12.055 -13.088 7.931 1.00 0.41 C ATOM 1950 CG2 VAL A 126 10.705 -14.802 9.142 1.00 0.39 C ATOM 0 H VAL A 126 9.583 -13.747 10.988 1.00 0.30 H new ATOM 0 HA VAL A 126 12.243 -12.932 10.565 1.00 0.31 H new ATOM 0 HB VAL A 126 9.992 -12.866 8.513 1.00 0.35 H new ATOM 0 HG11 VAL A 126 11.814 -13.568 6.982 1.00 0.41 H new ATOM 0 HG12 VAL A 126 12.203 -12.020 7.770 1.00 0.41 H new ATOM 0 HG13 VAL A 126 12.968 -13.524 8.337 1.00 0.41 H new ATOM 0 HG21 VAL A 126 10.464 -15.283 8.194 1.00 0.39 H new ATOM 0 HG22 VAL A 126 11.620 -15.235 9.546 1.00 0.39 H new ATOM 0 HG23 VAL A 126 9.888 -14.958 9.846 1.00 0.39 H new ATOM 1960 N VAL A 127 10.035 -10.557 9.900 1.00 0.26 N ATOM 1961 CA VAL A 127 9.934 -9.082 9.730 1.00 0.26 C ATOM 1962 C VAL A 127 10.569 -8.401 10.940 1.00 0.29 C ATOM 1963 O VAL A 127 11.187 -7.364 10.826 1.00 0.34 O ATOM 1964 CB VAL A 127 8.466 -8.670 9.621 1.00 0.27 C ATOM 1965 CG1 VAL A 127 8.321 -7.203 10.030 1.00 0.32 C ATOM 1966 CG2 VAL A 127 7.997 -8.840 8.175 1.00 0.29 C ATOM 0 H VAL A 127 9.150 -11.063 9.867 1.00 0.26 H new ATOM 0 HA VAL A 127 10.453 -8.782 8.820 1.00 0.26 H new ATOM 0 HB VAL A 127 7.861 -9.296 10.277 1.00 0.27 H new ATOM 0 HG11 VAL A 127 7.275 -6.906 9.953 1.00 0.32 H new ATOM 0 HG12 VAL A 127 8.660 -7.077 11.058 1.00 0.32 H new ATOM 0 HG13 VAL A 127 8.925 -6.580 9.370 1.00 0.32 H new ATOM 0 HG21 VAL A 127 6.950 -8.547 8.095 1.00 0.29 H new ATOM 0 HG22 VAL A 127 8.601 -8.212 7.520 1.00 0.29 H new ATOM 0 HG23 VAL A 127 8.105 -9.883 7.878 1.00 0.29 H new ATOM 1976 N ASN A 128 10.428 -8.980 12.101 1.00 0.30 N ATOM 1977 CA ASN A 128 11.034 -8.362 13.311 1.00 0.35 C ATOM 1978 C ASN A 128 12.536 -8.211 13.078 1.00 0.32 C ATOM 1979 O ASN A 128 13.107 -7.160 13.289 1.00 0.38 O ATOM 1980 CB ASN A 128 10.790 -9.259 14.527 1.00 0.42 C ATOM 1981 CG ASN A 128 11.213 -8.521 15.798 1.00 0.96 C ATOM 1982 OD1 ASN A 128 12.187 -7.794 15.797 1.00 1.69 O ATOM 1983 ND2 ASN A 128 10.517 -8.679 16.891 1.00 1.57 N ATOM 0 H ASN A 128 9.921 -9.850 12.262 1.00 0.30 H new ATOM 0 HA ASN A 128 10.584 -7.387 13.496 1.00 0.35 H new ATOM 0 HB2 ASN A 128 9.736 -9.532 14.586 1.00 0.42 H new ATOM 0 HB3 ASN A 128 11.354 -10.186 14.427 1.00 0.42 H new ATOM 0 HD21 ASN A 128 10.790 -8.192 17.745 1.00 1.57 H new ATOM 0 HD22 ASN A 128 9.700 -9.289 16.891 1.00 1.57 H new ATOM 1990 N GLU A 129 13.181 -9.256 12.635 1.00 0.32 N ATOM 1991 CA GLU A 129 14.644 -9.172 12.382 1.00 0.41 C ATOM 1992 C GLU A 129 14.912 -8.038 11.390 1.00 0.45 C ATOM 1993 O GLU A 129 15.912 -7.352 11.469 1.00 0.55 O ATOM 1994 CB GLU A 129 15.137 -10.505 11.806 1.00 0.53 C ATOM 1995 CG GLU A 129 15.956 -10.262 10.535 1.00 1.09 C ATOM 1996 CD GLU A 129 16.558 -11.585 10.057 1.00 1.70 C ATOM 1997 OE1 GLU A 129 15.826 -12.559 10.001 1.00 2.29 O ATOM 1998 OE2 GLU A 129 17.740 -11.601 9.756 1.00 2.33 O ATOM 0 H GLU A 129 12.757 -10.162 12.438 1.00 0.32 H new ATOM 0 HA GLU A 129 15.175 -8.971 13.312 1.00 0.41 H new ATOM 0 HB2 GLU A 129 15.745 -11.026 12.545 1.00 0.53 H new ATOM 0 HB3 GLU A 129 14.287 -11.149 11.582 1.00 0.53 H new ATOM 0 HG2 GLU A 129 15.323 -9.836 9.757 1.00 1.09 H new ATOM 0 HG3 GLU A 129 16.748 -9.540 10.732 1.00 1.09 H new ATOM 2005 N LEU A 130 14.023 -7.834 10.454 1.00 0.47 N ATOM 2006 CA LEU A 130 14.231 -6.741 9.458 1.00 0.62 C ATOM 2007 C LEU A 130 14.337 -5.397 10.184 1.00 0.55 C ATOM 2008 O LEU A 130 15.294 -4.666 10.023 1.00 0.60 O ATOM 2009 CB LEU A 130 13.047 -6.687 8.490 1.00 0.88 C ATOM 2010 CG LEU A 130 12.875 -8.043 7.808 1.00 0.63 C ATOM 2011 CD1 LEU A 130 11.739 -7.961 6.788 1.00 1.32 C ATOM 2012 CD2 LEU A 130 14.175 -8.418 7.093 1.00 1.00 C ATOM 0 H LEU A 130 13.166 -8.374 10.336 1.00 0.47 H new ATOM 0 HA LEU A 130 15.149 -6.938 8.905 1.00 0.62 H new ATOM 0 HB2 LEU A 130 12.137 -6.422 9.028 1.00 0.88 H new ATOM 0 HB3 LEU A 130 13.212 -5.912 7.742 1.00 0.88 H new ATOM 0 HG LEU A 130 12.637 -8.800 8.556 1.00 0.63 H new ATOM 0 HD11 LEU A 130 11.616 -8.929 6.301 1.00 1.32 H new ATOM 0 HD12 LEU A 130 10.813 -7.690 7.296 1.00 1.32 H new ATOM 0 HD13 LEU A 130 11.976 -7.206 6.039 1.00 1.32 H new ATOM 0 HD21 LEU A 130 14.056 -9.385 6.605 1.00 1.00 H new ATOM 0 HD22 LEU A 130 14.410 -7.661 6.345 1.00 1.00 H new ATOM 0 HD23 LEU A 130 14.986 -8.475 7.819 1.00 1.00 H new ATOM 2024 N PHE A 131 13.355 -5.065 10.975 1.00 0.53 N ATOM 2025 CA PHE A 131 13.388 -3.767 11.708 1.00 0.50 C ATOM 2026 C PHE A 131 14.178 -3.895 13.019 1.00 0.46 C ATOM 2027 O PHE A 131 14.222 -2.974 13.810 1.00 0.52 O ATOM 2028 CB PHE A 131 11.954 -3.334 12.019 1.00 0.55 C ATOM 2029 CG PHE A 131 11.129 -3.380 10.754 1.00 0.49 C ATOM 2030 CD1 PHE A 131 11.623 -2.807 9.575 1.00 1.38 C ATOM 2031 CD2 PHE A 131 9.872 -3.993 10.760 1.00 1.23 C ATOM 2032 CE1 PHE A 131 10.858 -2.849 8.403 1.00 1.43 C ATOM 2033 CE2 PHE A 131 9.106 -4.035 9.588 1.00 1.29 C ATOM 2034 CZ PHE A 131 9.600 -3.462 8.409 1.00 0.70 C ATOM 0 H PHE A 131 12.529 -5.638 11.146 1.00 0.53 H new ATOM 0 HA PHE A 131 13.881 -3.024 11.082 1.00 0.50 H new ATOM 0 HB2 PHE A 131 11.520 -3.990 12.773 1.00 0.55 H new ATOM 0 HB3 PHE A 131 11.949 -2.326 12.433 1.00 0.55 H new ATOM 0 HD1 PHE A 131 12.593 -2.333 9.570 1.00 1.38 H new ATOM 0 HD2 PHE A 131 9.491 -4.434 11.669 1.00 1.23 H new ATOM 0 HE1 PHE A 131 11.239 -2.408 7.494 1.00 1.43 H new ATOM 0 HE2 PHE A 131 8.135 -4.509 9.593 1.00 1.29 H new ATOM 0 HZ PHE A 131 9.010 -3.493 7.505 1.00 0.70 H new ATOM 2044 N ARG A 132 14.804 -5.018 13.268 1.00 0.42 N ATOM 2045 CA ARG A 132 15.579 -5.167 14.534 1.00 0.45 C ATOM 2046 C ARG A 132 16.770 -4.196 14.543 1.00 0.53 C ATOM 2047 O ARG A 132 17.356 -3.938 15.576 1.00 0.64 O ATOM 2048 CB ARG A 132 16.097 -6.601 14.650 1.00 0.45 C ATOM 2049 CG ARG A 132 15.217 -7.385 15.626 1.00 0.90 C ATOM 2050 CD ARG A 132 15.995 -8.587 16.163 1.00 1.38 C ATOM 2051 NE ARG A 132 15.275 -9.160 17.335 1.00 1.77 N ATOM 2052 CZ ARG A 132 15.949 -9.604 18.361 1.00 2.46 C ATOM 2053 NH1 ARG A 132 17.049 -10.280 18.176 1.00 3.16 N ATOM 2054 NH2 ARG A 132 15.522 -9.371 19.572 1.00 3.05 N ATOM 0 H ARG A 132 14.811 -5.832 12.653 1.00 0.42 H new ATOM 0 HA ARG A 132 14.926 -4.941 15.377 1.00 0.45 H new ATOM 0 HB2 ARG A 132 16.090 -7.081 13.672 1.00 0.45 H new ATOM 0 HB3 ARG A 132 17.130 -6.599 14.997 1.00 0.45 H new ATOM 0 HG2 ARG A 132 14.907 -6.742 16.450 1.00 0.90 H new ATOM 0 HG3 ARG A 132 14.309 -7.721 15.125 1.00 0.90 H new ATOM 0 HD2 ARG A 132 16.103 -9.342 15.384 1.00 1.38 H new ATOM 0 HD3 ARG A 132 17.001 -8.283 16.453 1.00 1.38 H new ATOM 0 HE ARG A 132 14.256 -9.205 17.336 1.00 1.77 H new ATOM 0 HH11 ARG A 132 17.383 -10.462 17.229 1.00 3.16 H new ATOM 0 HH12 ARG A 132 17.575 -10.627 18.978 1.00 3.16 H new ATOM 0 HH21 ARG A 132 14.662 -8.842 19.717 1.00 3.05 H new ATOM 0 HH22 ARG A 132 16.048 -9.718 20.374 1.00 3.05 H new ATOM 2068 N ASP A 133 17.138 -3.654 13.409 1.00 0.53 N ATOM 2069 CA ASP A 133 18.290 -2.708 13.378 1.00 0.65 C ATOM 2070 C ASP A 133 17.839 -1.325 13.861 1.00 0.64 C ATOM 2071 O ASP A 133 18.628 -0.542 14.352 1.00 0.80 O ATOM 2072 CB ASP A 133 18.821 -2.599 11.947 1.00 0.70 C ATOM 2073 CG ASP A 133 20.329 -2.856 11.940 1.00 1.22 C ATOM 2074 OD1 ASP A 133 21.054 -2.024 12.458 1.00 1.89 O ATOM 2075 OD2 ASP A 133 20.732 -3.882 11.417 1.00 1.87 O ATOM 0 H ASP A 133 16.691 -3.826 12.508 1.00 0.53 H new ATOM 0 HA ASP A 133 19.078 -3.079 14.034 1.00 0.65 H new ATOM 0 HB2 ASP A 133 18.316 -3.320 11.305 1.00 0.70 H new ATOM 0 HB3 ASP A 133 18.608 -1.609 11.544 1.00 0.70 H new ATOM 2080 N GLY A 134 16.576 -1.018 13.730 1.00 0.51 N ATOM 2081 CA GLY A 134 16.081 0.314 14.188 1.00 0.54 C ATOM 2082 C GLY A 134 15.204 0.966 13.109 1.00 0.43 C ATOM 2083 O GLY A 134 15.140 2.175 13.009 1.00 0.43 O ATOM 0 H GLY A 134 15.867 -1.630 13.327 1.00 0.51 H new ATOM 0 HA2 GLY A 134 15.509 0.198 15.108 1.00 0.54 H new ATOM 0 HA3 GLY A 134 16.926 0.963 14.418 1.00 0.54 H new ATOM 2087 N VAL A 135 14.524 0.182 12.308 1.00 0.39 N ATOM 2088 CA VAL A 135 13.651 0.763 11.247 1.00 0.34 C ATOM 2089 C VAL A 135 14.436 1.781 10.414 1.00 0.36 C ATOM 2090 O VAL A 135 14.202 2.971 10.491 1.00 0.80 O ATOM 2091 CB VAL A 135 12.457 1.456 11.903 1.00 0.34 C ATOM 2092 CG1 VAL A 135 11.609 2.138 10.829 1.00 0.45 C ATOM 2093 CG2 VAL A 135 11.607 0.417 12.638 1.00 0.39 C ATOM 0 H VAL A 135 14.538 -0.837 12.345 1.00 0.39 H new ATOM 0 HA VAL A 135 13.304 -0.036 10.592 1.00 0.34 H new ATOM 0 HB VAL A 135 12.815 2.203 12.612 1.00 0.34 H new ATOM 0 HG11 VAL A 135 10.758 2.632 11.297 1.00 0.45 H new ATOM 0 HG12 VAL A 135 12.213 2.877 10.303 1.00 0.45 H new ATOM 0 HG13 VAL A 135 11.251 1.392 10.120 1.00 0.45 H new ATOM 0 HG21 VAL A 135 10.755 0.910 13.107 1.00 0.39 H new ATOM 0 HG22 VAL A 135 11.250 -0.329 11.928 1.00 0.39 H new ATOM 0 HG23 VAL A 135 12.210 -0.071 13.404 1.00 0.39 H new ATOM 2103 N ASN A 136 15.361 1.327 9.615 1.00 0.45 N ATOM 2104 CA ASN A 136 16.151 2.275 8.779 1.00 0.40 C ATOM 2105 C ASN A 136 15.376 2.577 7.495 1.00 0.34 C ATOM 2106 O ASN A 136 14.485 1.844 7.113 1.00 0.35 O ATOM 2107 CB ASN A 136 17.500 1.645 8.426 1.00 0.44 C ATOM 2108 CG ASN A 136 18.618 2.381 9.166 1.00 0.82 C ATOM 2109 OD1 ASN A 136 18.442 2.801 10.293 1.00 1.53 O ATOM 2110 ND2 ASN A 136 19.768 2.558 8.576 1.00 1.46 N ATOM 0 H ASN A 136 15.604 0.343 9.504 1.00 0.45 H new ATOM 0 HA ASN A 136 16.319 3.199 9.332 1.00 0.40 H new ATOM 0 HB2 ASN A 136 17.503 0.590 8.699 1.00 0.44 H new ATOM 0 HB3 ASN A 136 17.667 1.697 7.350 1.00 0.44 H new ATOM 0 HD21 ASN A 136 20.520 3.049 9.060 1.00 1.46 H new ATOM 0 HD22 ASN A 136 19.916 2.206 7.630 1.00 1.46 H new ATOM 2117 N TRP A 137 15.703 3.647 6.823 1.00 0.30 N ATOM 2118 CA TRP A 137 14.973 3.976 5.567 1.00 0.29 C ATOM 2119 C TRP A 137 15.151 2.829 4.572 1.00 0.28 C ATOM 2120 O TRP A 137 14.199 2.350 3.987 1.00 0.30 O ATOM 2121 CB TRP A 137 15.522 5.272 4.965 1.00 0.30 C ATOM 2122 CG TRP A 137 14.909 6.450 5.658 1.00 0.29 C ATOM 2123 CD1 TRP A 137 15.601 7.509 6.137 1.00 0.31 C ATOM 2124 CD2 TRP A 137 13.504 6.711 5.958 1.00 0.28 C ATOM 2125 NE1 TRP A 137 14.714 8.402 6.711 1.00 0.31 N ATOM 2126 CE2 TRP A 137 13.411 7.954 6.628 1.00 0.30 C ATOM 2127 CE3 TRP A 137 12.311 5.999 5.719 1.00 0.28 C ATOM 2128 CZ2 TRP A 137 12.185 8.473 7.046 1.00 0.32 C ATOM 2129 CZ3 TRP A 137 11.076 6.519 6.138 1.00 0.30 C ATOM 2130 CH2 TRP A 137 11.014 7.753 6.802 1.00 0.32 C ATOM 0 H TRP A 137 16.438 4.303 7.087 1.00 0.30 H new ATOM 0 HA TRP A 137 13.914 4.113 5.787 1.00 0.29 H new ATOM 0 HB2 TRP A 137 16.607 5.301 5.068 1.00 0.30 H new ATOM 0 HB3 TRP A 137 15.302 5.311 3.898 1.00 0.30 H new ATOM 0 HD1 TRP A 137 16.672 7.637 6.080 1.00 0.31 H new ATOM 0 HE1 TRP A 137 14.989 9.284 7.143 1.00 0.31 H new ATOM 0 HE3 TRP A 137 12.347 5.047 5.210 1.00 0.28 H new ATOM 0 HZ2 TRP A 137 12.142 9.425 7.555 1.00 0.32 H new ATOM 0 HZ3 TRP A 137 10.168 5.966 5.948 1.00 0.30 H new ATOM 0 HH2 TRP A 137 10.061 8.146 7.124 1.00 0.32 H new ATOM 2141 N GLY A 138 16.361 2.381 4.377 1.00 0.33 N ATOM 2142 CA GLY A 138 16.592 1.261 3.423 1.00 0.37 C ATOM 2143 C GLY A 138 15.872 0.006 3.927 1.00 0.37 C ATOM 2144 O GLY A 138 15.560 -0.885 3.165 1.00 0.39 O ATOM 0 H GLY A 138 17.197 2.741 4.836 1.00 0.33 H new ATOM 0 HA2 GLY A 138 16.225 1.531 2.433 1.00 0.37 H new ATOM 0 HA3 GLY A 138 17.660 1.066 3.325 1.00 0.37 H new ATOM 2148 N ARG A 139 15.603 -0.074 5.205 1.00 0.36 N ATOM 2149 CA ARG A 139 14.901 -1.272 5.745 1.00 0.37 C ATOM 2150 C ARG A 139 13.414 -1.183 5.399 1.00 0.33 C ATOM 2151 O ARG A 139 12.747 -2.183 5.229 1.00 0.34 O ATOM 2152 CB ARG A 139 15.071 -1.327 7.265 1.00 0.40 C ATOM 2153 CG ARG A 139 16.534 -1.616 7.606 1.00 0.79 C ATOM 2154 CD ARG A 139 16.780 -3.126 7.565 1.00 0.73 C ATOM 2155 NE ARG A 139 17.514 -3.476 6.316 1.00 1.20 N ATOM 2156 CZ ARG A 139 18.795 -3.719 6.359 1.00 1.45 C ATOM 2157 NH1 ARG A 139 19.576 -2.976 7.094 1.00 1.98 N ATOM 2158 NH2 ARG A 139 19.295 -4.706 5.667 1.00 2.11 N ATOM 0 H ARG A 139 15.840 0.639 5.895 1.00 0.36 H new ATOM 0 HA ARG A 139 15.326 -2.173 5.304 1.00 0.37 H new ATOM 0 HB2 ARG A 139 14.763 -0.381 7.710 1.00 0.40 H new ATOM 0 HB3 ARG A 139 14.429 -2.101 7.685 1.00 0.40 H new ATOM 0 HG2 ARG A 139 17.190 -1.111 6.897 1.00 0.79 H new ATOM 0 HG3 ARG A 139 16.772 -1.225 8.595 1.00 0.79 H new ATOM 0 HD2 ARG A 139 17.356 -3.435 8.437 1.00 0.73 H new ATOM 0 HD3 ARG A 139 15.831 -3.661 7.604 1.00 0.73 H new ATOM 0 HE ARG A 139 17.015 -3.526 5.428 1.00 1.20 H new ATOM 0 HH11 ARG A 139 19.185 -2.205 7.635 1.00 1.98 H new ATOM 0 HH12 ARG A 139 20.578 -3.166 7.127 1.00 1.98 H new ATOM 0 HH21 ARG A 139 18.684 -5.287 5.093 1.00 2.11 H new ATOM 0 HH22 ARG A 139 20.297 -4.896 5.700 1.00 2.11 H new ATOM 2172 N ILE A 140 12.888 0.008 5.289 1.00 0.30 N ATOM 2173 CA ILE A 140 11.445 0.154 4.949 1.00 0.28 C ATOM 2174 C ILE A 140 11.251 -0.165 3.464 1.00 0.27 C ATOM 2175 O ILE A 140 10.385 -0.927 3.089 1.00 0.27 O ATOM 2176 CB ILE A 140 10.993 1.590 5.236 1.00 0.29 C ATOM 2177 CG1 ILE A 140 10.554 1.697 6.698 1.00 0.33 C ATOM 2178 CG2 ILE A 140 9.821 1.960 4.321 1.00 0.31 C ATOM 2179 CD1 ILE A 140 10.157 3.140 7.012 1.00 0.33 C ATOM 0 H ILE A 140 13.395 0.883 5.420 1.00 0.30 H new ATOM 0 HA ILE A 140 10.850 -0.532 5.552 1.00 0.28 H new ATOM 0 HB ILE A 140 11.821 2.274 5.049 1.00 0.29 H new ATOM 0 HG12 ILE A 140 9.713 1.029 6.885 1.00 0.33 H new ATOM 0 HG13 ILE A 140 11.364 1.381 7.355 1.00 0.33 H new ATOM 0 HG21 ILE A 140 9.505 2.982 4.530 1.00 0.31 H new ATOM 0 HG22 ILE A 140 10.134 1.883 3.280 1.00 0.31 H new ATOM 0 HG23 ILE A 140 8.989 1.279 4.501 1.00 0.31 H new ATOM 0 HD11 ILE A 140 9.845 3.213 8.054 1.00 0.33 H new ATOM 0 HD12 ILE A 140 11.010 3.797 6.842 1.00 0.33 H new ATOM 0 HD13 ILE A 140 9.333 3.440 6.365 1.00 0.33 H new ATOM 2191 N VAL A 141 12.057 0.408 2.614 1.00 0.29 N ATOM 2192 CA VAL A 141 11.918 0.130 1.157 1.00 0.29 C ATOM 2193 C VAL A 141 12.116 -1.369 0.910 1.00 0.28 C ATOM 2194 O VAL A 141 11.368 -1.998 0.184 1.00 0.27 O ATOM 2195 CB VAL A 141 12.975 0.927 0.389 1.00 0.32 C ATOM 2196 CG1 VAL A 141 13.522 0.085 -0.762 1.00 0.31 C ATOM 2197 CG2 VAL A 141 12.342 2.202 -0.171 1.00 0.37 C ATOM 0 H VAL A 141 12.804 1.055 2.864 1.00 0.29 H new ATOM 0 HA VAL A 141 10.926 0.424 0.815 1.00 0.29 H new ATOM 0 HB VAL A 141 13.790 1.188 1.064 1.00 0.32 H new ATOM 0 HG11 VAL A 141 14.274 0.657 -1.306 1.00 0.31 H new ATOM 0 HG12 VAL A 141 13.974 -0.824 -0.365 1.00 0.31 H new ATOM 0 HG13 VAL A 141 12.709 -0.180 -1.438 1.00 0.31 H new ATOM 0 HG21 VAL A 141 13.093 2.771 -0.718 1.00 0.37 H new ATOM 0 HG22 VAL A 141 11.526 1.938 -0.843 1.00 0.37 H new ATOM 0 HG23 VAL A 141 11.955 2.807 0.649 1.00 0.37 H new ATOM 2207 N ALA A 142 13.119 -1.948 1.514 1.00 0.33 N ATOM 2208 CA ALA A 142 13.368 -3.404 1.323 1.00 0.34 C ATOM 2209 C ALA A 142 12.183 -4.191 1.884 1.00 0.30 C ATOM 2210 O ALA A 142 11.828 -5.236 1.383 1.00 0.29 O ATOM 2211 CB ALA A 142 14.646 -3.806 2.062 1.00 0.40 C ATOM 0 H ALA A 142 13.777 -1.474 2.132 1.00 0.33 H new ATOM 0 HA ALA A 142 13.484 -3.621 0.261 1.00 0.34 H new ATOM 0 HB1 ALA A 142 14.828 -4.872 1.922 1.00 0.40 H new ATOM 0 HB2 ALA A 142 15.489 -3.239 1.666 1.00 0.40 H new ATOM 0 HB3 ALA A 142 14.533 -3.594 3.125 1.00 0.40 H new ATOM 2217 N PHE A 143 11.569 -3.689 2.919 1.00 0.30 N ATOM 2218 CA PHE A 143 10.401 -4.398 3.518 1.00 0.29 C ATOM 2219 C PHE A 143 9.223 -4.335 2.540 1.00 0.24 C ATOM 2220 O PHE A 143 8.372 -5.205 2.519 1.00 0.25 O ATOM 2221 CB PHE A 143 10.042 -3.728 4.850 1.00 0.33 C ATOM 2222 CG PHE A 143 8.555 -3.484 4.945 1.00 0.30 C ATOM 2223 CD1 PHE A 143 7.692 -4.529 5.293 1.00 1.16 C ATOM 2224 CD2 PHE A 143 8.040 -2.204 4.703 1.00 1.23 C ATOM 2225 CE1 PHE A 143 6.315 -4.293 5.398 1.00 1.16 C ATOM 2226 CE2 PHE A 143 6.666 -1.970 4.805 1.00 1.25 C ATOM 2227 CZ PHE A 143 5.803 -3.013 5.153 1.00 0.35 C ATOM 0 H PHE A 143 11.826 -2.815 3.378 1.00 0.30 H new ATOM 0 HA PHE A 143 10.642 -5.444 3.706 1.00 0.29 H new ATOM 0 HB2 PHE A 143 10.365 -4.359 5.678 1.00 0.33 H new ATOM 0 HB3 PHE A 143 10.577 -2.783 4.942 1.00 0.33 H new ATOM 0 HD1 PHE A 143 8.087 -5.517 5.480 1.00 1.16 H new ATOM 0 HD2 PHE A 143 8.706 -1.396 4.437 1.00 1.23 H new ATOM 0 HE1 PHE A 143 5.648 -5.099 5.668 1.00 1.16 H new ATOM 0 HE2 PHE A 143 6.271 -0.983 4.615 1.00 1.25 H new ATOM 0 HZ PHE A 143 4.741 -2.832 5.233 1.00 0.35 H new ATOM 2237 N PHE A 144 9.173 -3.316 1.722 1.00 0.24 N ATOM 2238 CA PHE A 144 8.060 -3.200 0.739 1.00 0.22 C ATOM 2239 C PHE A 144 8.268 -4.224 -0.373 1.00 0.22 C ATOM 2240 O PHE A 144 7.343 -4.881 -0.806 1.00 0.23 O ATOM 2241 CB PHE A 144 8.061 -1.796 0.131 1.00 0.26 C ATOM 2242 CG PHE A 144 7.037 -0.935 0.827 1.00 0.24 C ATOM 2243 CD1 PHE A 144 5.711 -0.923 0.377 1.00 1.21 C ATOM 2244 CD2 PHE A 144 7.415 -0.143 1.916 1.00 1.24 C ATOM 2245 CE1 PHE A 144 4.764 -0.117 1.018 1.00 1.29 C ATOM 2246 CE2 PHE A 144 6.469 0.664 2.555 1.00 1.24 C ATOM 2247 CZ PHE A 144 5.143 0.677 2.107 1.00 0.49 C ATOM 0 H PHE A 144 9.856 -2.559 1.694 1.00 0.24 H new ATOM 0 HA PHE A 144 7.109 -3.381 1.240 1.00 0.22 H new ATOM 0 HB2 PHE A 144 9.051 -1.349 0.227 1.00 0.26 H new ATOM 0 HB3 PHE A 144 7.839 -1.851 -0.935 1.00 0.26 H new ATOM 0 HD1 PHE A 144 5.420 -1.535 -0.464 1.00 1.21 H new ATOM 0 HD2 PHE A 144 8.438 -0.155 2.263 1.00 1.24 H new ATOM 0 HE1 PHE A 144 3.741 -0.107 0.673 1.00 1.29 H new ATOM 0 HE2 PHE A 144 6.761 1.277 3.394 1.00 1.24 H new ATOM 0 HZ PHE A 144 4.412 1.300 2.601 1.00 0.49 H new ATOM 2257 N SER A 145 9.477 -4.366 -0.840 1.00 0.25 N ATOM 2258 CA SER A 145 9.745 -5.351 -1.926 1.00 0.28 C ATOM 2259 C SER A 145 9.738 -6.775 -1.354 1.00 0.27 C ATOM 2260 O SER A 145 9.587 -7.741 -2.078 1.00 0.29 O ATOM 2261 CB SER A 145 11.111 -5.061 -2.548 1.00 0.33 C ATOM 2262 OG SER A 145 10.928 -4.422 -3.804 1.00 1.15 O ATOM 0 H SER A 145 10.291 -3.843 -0.517 1.00 0.25 H new ATOM 0 HA SER A 145 8.969 -5.266 -2.686 1.00 0.28 H new ATOM 0 HB2 SER A 145 11.698 -4.425 -1.885 1.00 0.33 H new ATOM 0 HB3 SER A 145 11.669 -5.988 -2.676 1.00 0.33 H new ATOM 0 HG SER A 145 11.802 -4.233 -4.205 1.00 1.15 H new ATOM 2268 N PHE A 146 9.896 -6.919 -0.062 1.00 0.27 N ATOM 2269 CA PHE A 146 9.897 -8.282 0.542 1.00 0.29 C ATOM 2270 C PHE A 146 8.461 -8.796 0.623 1.00 0.28 C ATOM 2271 O PHE A 146 8.125 -9.820 0.063 1.00 0.31 O ATOM 2272 CB PHE A 146 10.490 -8.217 1.951 1.00 0.33 C ATOM 2273 CG PHE A 146 10.034 -9.417 2.747 1.00 0.34 C ATOM 2274 CD1 PHE A 146 10.467 -10.700 2.389 1.00 1.21 C ATOM 2275 CD2 PHE A 146 9.179 -9.247 3.842 1.00 1.13 C ATOM 2276 CE1 PHE A 146 10.045 -11.812 3.127 1.00 1.25 C ATOM 2277 CE2 PHE A 146 8.756 -10.360 4.580 1.00 1.15 C ATOM 2278 CZ PHE A 146 9.189 -11.642 4.222 1.00 0.52 C ATOM 0 H PHE A 146 10.024 -6.152 0.598 1.00 0.27 H new ATOM 0 HA PHE A 146 10.496 -8.953 -0.074 1.00 0.29 H new ATOM 0 HB2 PHE A 146 11.578 -8.195 1.898 1.00 0.33 H new ATOM 0 HB3 PHE A 146 10.176 -7.298 2.447 1.00 0.33 H new ATOM 0 HD1 PHE A 146 11.126 -10.831 1.544 1.00 1.21 H new ATOM 0 HD2 PHE A 146 8.845 -8.258 4.118 1.00 1.13 H new ATOM 0 HE1 PHE A 146 10.380 -12.801 2.852 1.00 1.25 H new ATOM 0 HE2 PHE A 146 8.096 -10.229 5.425 1.00 1.15 H new ATOM 0 HZ PHE A 146 8.863 -12.500 4.791 1.00 0.52 H new ATOM 2288 N GLY A 147 7.609 -8.090 1.315 1.00 0.28 N ATOM 2289 CA GLY A 147 6.193 -8.540 1.429 1.00 0.31 C ATOM 2290 C GLY A 147 5.506 -8.429 0.065 1.00 0.30 C ATOM 2291 O GLY A 147 4.559 -9.134 -0.222 1.00 0.32 O ATOM 0 H GLY A 147 7.831 -7.224 1.805 1.00 0.28 H new ATOM 0 HA2 GLY A 147 6.156 -9.570 1.783 1.00 0.31 H new ATOM 0 HA3 GLY A 147 5.666 -7.931 2.163 1.00 0.31 H new ATOM 2295 N GLY A 148 5.974 -7.549 -0.779 1.00 0.31 N ATOM 2296 CA GLY A 148 5.347 -7.394 -2.123 1.00 0.34 C ATOM 2297 C GLY A 148 5.608 -8.647 -2.962 1.00 0.34 C ATOM 2298 O GLY A 148 4.691 -9.309 -3.409 1.00 0.37 O ATOM 0 H GLY A 148 6.764 -6.930 -0.595 1.00 0.31 H new ATOM 0 HA2 GLY A 148 4.274 -7.232 -2.018 1.00 0.34 H new ATOM 0 HA3 GLY A 148 5.754 -6.517 -2.626 1.00 0.34 H new ATOM 2302 N ALA A 149 6.852 -8.980 -3.181 1.00 0.36 N ATOM 2303 CA ALA A 149 7.162 -10.190 -3.992 1.00 0.40 C ATOM 2304 C ALA A 149 6.461 -11.404 -3.379 1.00 0.39 C ATOM 2305 O ALA A 149 5.848 -12.195 -4.069 1.00 0.40 O ATOM 2306 CB ALA A 149 8.673 -10.425 -4.004 1.00 0.45 C ATOM 0 H ALA A 149 7.663 -8.468 -2.834 1.00 0.36 H new ATOM 0 HA ALA A 149 6.811 -10.043 -5.014 1.00 0.40 H new ATOM 0 HB1 ALA A 149 8.899 -11.311 -4.598 1.00 0.45 H new ATOM 0 HB2 ALA A 149 9.172 -9.559 -4.439 1.00 0.45 H new ATOM 0 HB3 ALA A 149 9.026 -10.573 -2.983 1.00 0.45 H new ATOM 2312 N LEU A 150 6.547 -11.556 -2.086 1.00 0.49 N ATOM 2313 CA LEU A 150 5.886 -12.716 -1.427 1.00 0.52 C ATOM 2314 C LEU A 150 4.403 -12.728 -1.796 1.00 0.42 C ATOM 2315 O LEU A 150 3.809 -13.769 -1.993 1.00 0.39 O ATOM 2316 CB LEU A 150 6.036 -12.592 0.089 1.00 0.65 C ATOM 2317 CG LEU A 150 7.314 -13.302 0.533 1.00 0.73 C ATOM 2318 CD1 LEU A 150 7.547 -13.051 2.024 1.00 1.07 C ATOM 2319 CD2 LEU A 150 7.171 -14.805 0.285 1.00 1.69 C ATOM 0 H LEU A 150 7.047 -10.927 -1.458 1.00 0.49 H new ATOM 0 HA LEU A 150 6.352 -13.643 -1.762 1.00 0.52 H new ATOM 0 HB2 LEU A 150 6.072 -11.541 0.377 1.00 0.65 H new ATOM 0 HB3 LEU A 150 5.172 -13.030 0.588 1.00 0.65 H new ATOM 0 HG LEU A 150 8.161 -12.917 -0.035 1.00 0.73 H new ATOM 0 HD11 LEU A 150 8.459 -13.558 2.340 1.00 1.07 H new ATOM 0 HD12 LEU A 150 7.647 -11.980 2.201 1.00 1.07 H new ATOM 0 HD13 LEU A 150 6.702 -13.436 2.594 1.00 1.07 H new ATOM 0 HD21 LEU A 150 8.082 -15.314 0.601 1.00 1.69 H new ATOM 0 HD22 LEU A 150 6.324 -15.189 0.854 1.00 1.69 H new ATOM 0 HD23 LEU A 150 7.005 -14.984 -0.777 1.00 1.69 H new ATOM 2331 N CYS A 151 3.800 -11.575 -1.894 1.00 0.41 N ATOM 2332 CA CYS A 151 2.357 -11.517 -2.253 1.00 0.37 C ATOM 2333 C CYS A 151 2.163 -12.124 -3.641 1.00 0.30 C ATOM 2334 O CYS A 151 1.340 -12.995 -3.840 1.00 0.29 O ATOM 2335 CB CYS A 151 1.893 -10.061 -2.261 1.00 0.42 C ATOM 2336 SG CYS A 151 1.197 -9.658 -3.883 1.00 1.19 S ATOM 0 H CYS A 151 4.246 -10.670 -1.741 1.00 0.41 H new ATOM 0 HA CYS A 151 1.772 -12.077 -1.523 1.00 0.37 H new ATOM 0 HB2 CYS A 151 1.146 -9.902 -1.483 1.00 0.42 H new ATOM 0 HB3 CYS A 151 2.731 -9.400 -2.038 1.00 0.42 H new ATOM 0 HG CYS A 151 1.385 -8.396 -4.135 1.00 1.19 H new ATOM 2342 N VAL A 152 2.919 -11.673 -4.605 1.00 0.31 N ATOM 2343 CA VAL A 152 2.777 -12.230 -5.980 1.00 0.32 C ATOM 2344 C VAL A 152 3.223 -13.698 -5.999 1.00 0.34 C ATOM 2345 O VAL A 152 2.961 -14.414 -6.942 1.00 0.39 O ATOM 2346 CB VAL A 152 3.635 -11.422 -6.953 1.00 0.39 C ATOM 2347 CG1 VAL A 152 3.725 -12.157 -8.290 1.00 0.40 C ATOM 2348 CG2 VAL A 152 2.991 -10.056 -7.178 1.00 0.44 C ATOM 0 H VAL A 152 3.626 -10.946 -4.500 1.00 0.31 H new ATOM 0 HA VAL A 152 1.731 -12.170 -6.282 1.00 0.32 H new ATOM 0 HB VAL A 152 4.634 -11.298 -6.536 1.00 0.39 H new ATOM 0 HG11 VAL A 152 4.337 -11.579 -8.982 1.00 0.40 H new ATOM 0 HG12 VAL A 152 4.177 -13.137 -8.137 1.00 0.40 H new ATOM 0 HG13 VAL A 152 2.725 -12.280 -8.706 1.00 0.40 H new ATOM 0 HG21 VAL A 152 3.600 -9.476 -7.872 1.00 0.44 H new ATOM 0 HG22 VAL A 152 1.993 -10.189 -7.595 1.00 0.44 H new ATOM 0 HG23 VAL A 152 2.920 -9.526 -6.228 1.00 0.44 H new ATOM 2358 N GLU A 153 3.891 -14.161 -4.975 1.00 0.34 N ATOM 2359 CA GLU A 153 4.333 -15.583 -4.967 1.00 0.38 C ATOM 2360 C GLU A 153 3.104 -16.496 -4.899 1.00 0.35 C ATOM 2361 O GLU A 153 3.121 -17.612 -5.378 1.00 0.38 O ATOM 2362 CB GLU A 153 5.224 -15.835 -3.748 1.00 0.43 C ATOM 2363 CG GLU A 153 6.075 -17.084 -3.986 1.00 0.72 C ATOM 2364 CD GLU A 153 6.751 -17.498 -2.678 1.00 1.32 C ATOM 2365 OE1 GLU A 153 6.049 -17.947 -1.787 1.00 1.95 O ATOM 2366 OE2 GLU A 153 7.960 -17.359 -2.590 1.00 2.02 O ATOM 0 H GLU A 153 4.147 -13.619 -4.150 1.00 0.34 H new ATOM 0 HA GLU A 153 4.895 -15.795 -5.876 1.00 0.38 H new ATOM 0 HB2 GLU A 153 5.867 -14.973 -3.570 1.00 0.43 H new ATOM 0 HB3 GLU A 153 4.610 -15.965 -2.857 1.00 0.43 H new ATOM 0 HG2 GLU A 153 5.451 -17.897 -4.358 1.00 0.72 H new ATOM 0 HG3 GLU A 153 6.827 -16.884 -4.749 1.00 0.72 H new ATOM 2373 N SER A 154 2.035 -16.029 -4.307 1.00 0.29 N ATOM 2374 CA SER A 154 0.807 -16.869 -4.208 1.00 0.29 C ATOM 2375 C SER A 154 -0.192 -16.450 -5.290 1.00 0.30 C ATOM 2376 O SER A 154 -0.751 -17.275 -5.985 1.00 0.34 O ATOM 2377 CB SER A 154 0.174 -16.681 -2.829 1.00 0.29 C ATOM 2378 OG SER A 154 1.119 -17.033 -1.827 1.00 1.07 O ATOM 0 H SER A 154 1.961 -15.102 -3.888 1.00 0.29 H new ATOM 0 HA SER A 154 1.072 -17.917 -4.349 1.00 0.29 H new ATOM 0 HB2 SER A 154 -0.142 -15.646 -2.699 1.00 0.29 H new ATOM 0 HB3 SER A 154 -0.718 -17.301 -2.738 1.00 0.29 H new ATOM 0 HG SER A 154 0.717 -16.912 -0.941 1.00 1.07 H new ATOM 2384 N VAL A 155 -0.421 -15.173 -5.438 1.00 0.29 N ATOM 2385 CA VAL A 155 -1.384 -14.701 -6.477 1.00 0.33 C ATOM 2386 C VAL A 155 -0.831 -14.977 -7.880 1.00 0.37 C ATOM 2387 O VAL A 155 -1.543 -14.883 -8.859 1.00 0.43 O ATOM 2388 CB VAL A 155 -1.603 -13.201 -6.334 1.00 0.34 C ATOM 2389 CG1 VAL A 155 -2.846 -12.793 -7.123 1.00 0.40 C ATOM 2390 CG2 VAL A 155 -1.795 -12.845 -4.859 1.00 0.33 C ATOM 0 H VAL A 155 0.016 -14.436 -4.885 1.00 0.29 H new ATOM 0 HA VAL A 155 -2.325 -15.235 -6.340 1.00 0.33 H new ATOM 0 HB VAL A 155 -0.733 -12.670 -6.721 1.00 0.34 H new ATOM 0 HG11 VAL A 155 -3.005 -11.719 -7.022 1.00 0.40 H new ATOM 0 HG12 VAL A 155 -2.707 -13.042 -8.175 1.00 0.40 H new ATOM 0 HG13 VAL A 155 -3.714 -13.326 -6.736 1.00 0.40 H new ATOM 0 HG21 VAL A 155 -1.951 -11.771 -4.761 1.00 0.33 H new ATOM 0 HG22 VAL A 155 -2.663 -13.375 -4.467 1.00 0.33 H new ATOM 0 HG23 VAL A 155 -0.908 -13.135 -4.296 1.00 0.33 H new ATOM 2400 N ASP A 156 0.427 -15.311 -7.995 1.00 0.36 N ATOM 2401 CA ASP A 156 0.995 -15.584 -9.343 1.00 0.42 C ATOM 2402 C ASP A 156 0.302 -16.808 -9.951 1.00 0.48 C ATOM 2403 O ASP A 156 0.300 -16.996 -11.151 1.00 0.53 O ATOM 2404 CB ASP A 156 2.496 -15.851 -9.222 1.00 0.43 C ATOM 2405 CG ASP A 156 2.915 -16.890 -10.265 1.00 0.49 C ATOM 2406 OD1 ASP A 156 2.949 -16.545 -11.434 1.00 1.14 O ATOM 2407 OD2 ASP A 156 3.194 -18.012 -9.876 1.00 1.21 O ATOM 0 H ASP A 156 1.081 -15.406 -7.218 1.00 0.36 H new ATOM 0 HA ASP A 156 0.834 -14.719 -9.987 1.00 0.42 H new ATOM 0 HB2 ASP A 156 3.054 -14.926 -9.370 1.00 0.43 H new ATOM 0 HB3 ASP A 156 2.733 -16.210 -8.220 1.00 0.43 H new ATOM 2412 N LYS A 157 -0.291 -17.642 -9.134 1.00 0.48 N ATOM 2413 CA LYS A 157 -0.982 -18.845 -9.674 1.00 0.56 C ATOM 2414 C LYS A 157 -2.442 -18.846 -9.209 1.00 0.55 C ATOM 2415 O LYS A 157 -3.049 -19.886 -9.051 1.00 0.58 O ATOM 2416 CB LYS A 157 -0.285 -20.114 -9.172 1.00 0.58 C ATOM 2417 CG LYS A 157 0.582 -19.784 -7.955 1.00 0.54 C ATOM 2418 CD LYS A 157 1.120 -21.080 -7.345 1.00 0.64 C ATOM 2419 CE LYS A 157 2.264 -20.755 -6.383 1.00 1.29 C ATOM 2420 NZ LYS A 157 2.685 -21.998 -5.675 1.00 1.83 N ATOM 0 H LYS A 157 -0.325 -17.540 -8.120 1.00 0.48 H new ATOM 0 HA LYS A 157 -0.945 -18.822 -10.763 1.00 0.56 H new ATOM 0 HB2 LYS A 157 -1.027 -20.867 -8.907 1.00 0.58 H new ATOM 0 HB3 LYS A 157 0.331 -20.539 -9.964 1.00 0.58 H new ATOM 0 HG2 LYS A 157 1.409 -19.137 -8.249 1.00 0.54 H new ATOM 0 HG3 LYS A 157 -0.003 -19.237 -7.216 1.00 0.54 H new ATOM 0 HD2 LYS A 157 0.324 -21.603 -6.816 1.00 0.64 H new ATOM 0 HD3 LYS A 157 1.471 -21.747 -8.133 1.00 0.64 H new ATOM 0 HE2 LYS A 157 3.106 -20.333 -6.932 1.00 1.29 H new ATOM 0 HE3 LYS A 157 1.944 -20.003 -5.662 1.00 1.29 H new ATOM 0 HZ1 LYS A 157 3.463 -21.778 -5.021 1.00 1.83 H new ATOM 0 HZ2 LYS A 157 1.880 -22.382 -5.140 1.00 1.83 H new ATOM 0 HZ3 LYS A 157 3.006 -22.702 -6.370 1.00 1.83 H new ATOM 2434 N GLU A 158 -3.007 -17.684 -8.991 1.00 0.54 N ATOM 2435 CA GLU A 158 -4.428 -17.606 -8.538 1.00 0.59 C ATOM 2436 C GLU A 158 -4.544 -18.120 -7.102 1.00 0.57 C ATOM 2437 O GLU A 158 -5.431 -18.882 -6.773 1.00 0.66 O ATOM 2438 CB GLU A 158 -5.313 -18.450 -9.460 1.00 0.70 C ATOM 2439 CG GLU A 158 -6.598 -17.683 -9.780 1.00 1.04 C ATOM 2440 CD GLU A 158 -7.228 -18.251 -11.052 1.00 1.46 C ATOM 2441 OE1 GLU A 158 -6.601 -19.092 -11.676 1.00 1.83 O ATOM 2442 OE2 GLU A 158 -8.327 -17.836 -11.382 1.00 2.18 O ATOM 0 H GLU A 158 -2.542 -16.784 -9.108 1.00 0.54 H new ATOM 0 HA GLU A 158 -4.757 -16.568 -8.575 1.00 0.59 H new ATOM 0 HB2 GLU A 158 -4.778 -18.684 -10.380 1.00 0.70 H new ATOM 0 HB3 GLU A 158 -5.554 -19.399 -8.981 1.00 0.70 H new ATOM 0 HG2 GLU A 158 -7.298 -17.762 -8.948 1.00 1.04 H new ATOM 0 HG3 GLU A 158 -6.378 -16.624 -9.912 1.00 1.04 H new ATOM 2449 N MET A 159 -3.654 -17.705 -6.242 1.00 0.52 N ATOM 2450 CA MET A 159 -3.711 -18.162 -4.825 1.00 0.55 C ATOM 2451 C MET A 159 -3.723 -16.938 -3.905 1.00 0.75 C ATOM 2452 O MET A 159 -2.851 -16.760 -3.078 1.00 1.52 O ATOM 2453 CB MET A 159 -2.485 -19.027 -4.518 1.00 0.53 C ATOM 2454 CG MET A 159 -2.881 -20.152 -3.560 1.00 0.59 C ATOM 2455 SD MET A 159 -1.398 -21.044 -3.030 1.00 1.03 S ATOM 2456 CE MET A 159 -0.666 -19.707 -2.055 1.00 0.57 C ATOM 0 H MET A 159 -2.888 -17.068 -6.461 1.00 0.52 H new ATOM 0 HA MET A 159 -4.614 -18.750 -4.662 1.00 0.55 H new ATOM 0 HB2 MET A 159 -2.082 -19.445 -5.440 1.00 0.53 H new ATOM 0 HB3 MET A 159 -1.698 -18.417 -4.074 1.00 0.53 H new ATOM 0 HG2 MET A 159 -3.400 -19.741 -2.694 1.00 0.59 H new ATOM 0 HG3 MET A 159 -3.573 -20.836 -4.051 1.00 0.59 H new ATOM 0 HE1 MET A 159 -0.230 -20.118 -1.144 1.00 0.57 H new ATOM 0 HE2 MET A 159 0.111 -19.214 -2.639 1.00 0.57 H new ATOM 0 HE3 MET A 159 -1.438 -18.983 -1.793 1.00 0.57 H new ATOM 2466 N GLN A 160 -4.706 -16.090 -4.045 1.00 0.52 N ATOM 2467 CA GLN A 160 -4.775 -14.874 -3.183 1.00 0.56 C ATOM 2468 C GLN A 160 -5.326 -15.223 -1.793 1.00 0.61 C ATOM 2469 O GLN A 160 -5.444 -14.366 -0.939 1.00 1.00 O ATOM 2470 CB GLN A 160 -5.691 -13.840 -3.841 1.00 0.69 C ATOM 2471 CG GLN A 160 -5.386 -13.764 -5.338 1.00 0.93 C ATOM 2472 CD GLN A 160 -6.544 -14.373 -6.133 1.00 1.27 C ATOM 2473 OE1 GLN A 160 -7.677 -14.349 -5.696 1.00 2.02 O ATOM 2474 NE2 GLN A 160 -6.305 -14.918 -7.294 1.00 1.66 N ATOM 0 H GLN A 160 -5.465 -16.186 -4.719 1.00 0.52 H new ATOM 0 HA GLN A 160 -3.769 -14.470 -3.070 1.00 0.56 H new ATOM 0 HB2 GLN A 160 -6.735 -14.113 -3.686 1.00 0.69 H new ATOM 0 HB3 GLN A 160 -5.545 -12.863 -3.380 1.00 0.69 H new ATOM 0 HG2 GLN A 160 -5.234 -12.726 -5.636 1.00 0.93 H new ATOM 0 HG3 GLN A 160 -4.461 -14.297 -5.558 1.00 0.93 H new ATOM 0 HE21 GLN A 160 -5.354 -14.939 -7.662 1.00 1.66 H new ATOM 0 HE22 GLN A 160 -7.069 -15.324 -7.834 1.00 1.66 H new ATOM 2483 N VAL A 161 -5.667 -16.463 -1.547 1.00 0.51 N ATOM 2484 CA VAL A 161 -6.205 -16.829 -0.207 1.00 0.56 C ATOM 2485 C VAL A 161 -5.217 -16.400 0.884 1.00 0.51 C ATOM 2486 O VAL A 161 -5.591 -16.195 2.022 1.00 0.59 O ATOM 2487 CB VAL A 161 -6.413 -18.343 -0.138 1.00 0.65 C ATOM 2488 CG1 VAL A 161 -5.055 -19.047 -0.122 1.00 1.26 C ATOM 2489 CG2 VAL A 161 -7.183 -18.693 1.138 1.00 1.22 C ATOM 0 H VAL A 161 -5.596 -17.232 -2.214 1.00 0.51 H new ATOM 0 HA VAL A 161 -7.157 -16.321 -0.051 1.00 0.56 H new ATOM 0 HB VAL A 161 -6.981 -18.671 -1.009 1.00 0.65 H new ATOM 0 HG11 VAL A 161 -5.205 -20.126 -0.073 1.00 1.26 H new ATOM 0 HG12 VAL A 161 -4.505 -18.798 -1.030 1.00 1.26 H new ATOM 0 HG13 VAL A 161 -4.486 -18.720 0.748 1.00 1.26 H new ATOM 0 HG21 VAL A 161 -7.332 -19.772 1.189 1.00 1.22 H new ATOM 0 HG22 VAL A 161 -6.614 -18.364 2.008 1.00 1.22 H new ATOM 0 HG23 VAL A 161 -8.151 -18.193 1.127 1.00 1.22 H new ATOM 2499 N LEU A 162 -3.960 -16.263 0.552 1.00 0.48 N ATOM 2500 CA LEU A 162 -2.961 -15.849 1.578 1.00 0.58 C ATOM 2501 C LEU A 162 -2.357 -14.483 1.213 1.00 0.49 C ATOM 2502 O LEU A 162 -1.750 -13.832 2.038 1.00 0.52 O ATOM 2503 CB LEU A 162 -1.848 -16.899 1.649 1.00 0.79 C ATOM 2504 CG LEU A 162 -1.464 -17.155 3.110 1.00 0.67 C ATOM 2505 CD1 LEU A 162 -1.076 -15.837 3.778 1.00 1.35 C ATOM 2506 CD2 LEU A 162 -2.650 -17.767 3.860 1.00 1.10 C ATOM 0 H LEU A 162 -3.584 -16.420 -0.383 1.00 0.48 H new ATOM 0 HA LEU A 162 -3.456 -15.767 2.546 1.00 0.58 H new ATOM 0 HB2 LEU A 162 -2.181 -17.827 1.184 1.00 0.79 H new ATOM 0 HB3 LEU A 162 -0.977 -16.557 1.090 1.00 0.79 H new ATOM 0 HG LEU A 162 -0.620 -17.844 3.139 1.00 0.67 H new ATOM 0 HD11 LEU A 162 -0.803 -16.022 4.817 1.00 1.35 H new ATOM 0 HD12 LEU A 162 -0.227 -15.399 3.253 1.00 1.35 H new ATOM 0 HD13 LEU A 162 -1.920 -15.148 3.742 1.00 1.35 H new ATOM 0 HD21 LEU A 162 -2.370 -17.947 4.898 1.00 1.10 H new ATOM 0 HD22 LEU A 162 -3.496 -17.080 3.826 1.00 1.10 H new ATOM 0 HD23 LEU A 162 -2.929 -18.710 3.391 1.00 1.10 H new ATOM 2518 N VAL A 163 -2.507 -14.035 -0.009 1.00 0.44 N ATOM 2519 CA VAL A 163 -1.924 -12.711 -0.380 1.00 0.38 C ATOM 2520 C VAL A 163 -2.602 -11.606 0.435 1.00 0.32 C ATOM 2521 O VAL A 163 -1.963 -10.672 0.883 1.00 0.29 O ATOM 2522 CB VAL A 163 -2.111 -12.453 -1.881 1.00 0.39 C ATOM 2523 CG1 VAL A 163 -3.533 -11.961 -2.167 1.00 0.45 C ATOM 2524 CG2 VAL A 163 -1.109 -11.389 -2.334 1.00 0.44 C ATOM 0 H VAL A 163 -3.001 -14.522 -0.756 1.00 0.44 H new ATOM 0 HA VAL A 163 -0.857 -12.715 -0.159 1.00 0.38 H new ATOM 0 HB VAL A 163 -1.945 -13.383 -2.424 1.00 0.39 H new ATOM 0 HG11 VAL A 163 -3.648 -11.783 -3.236 1.00 0.45 H new ATOM 0 HG12 VAL A 163 -4.251 -12.716 -1.845 1.00 0.45 H new ATOM 0 HG13 VAL A 163 -3.713 -11.034 -1.623 1.00 0.45 H new ATOM 0 HG21 VAL A 163 -1.236 -11.200 -3.400 1.00 0.44 H new ATOM 0 HG22 VAL A 163 -1.282 -10.467 -1.779 1.00 0.44 H new ATOM 0 HG23 VAL A 163 -0.095 -11.741 -2.146 1.00 0.44 H new ATOM 2534 N SER A 164 -3.887 -11.703 0.640 1.00 0.34 N ATOM 2535 CA SER A 164 -4.587 -10.656 1.434 1.00 0.33 C ATOM 2536 C SER A 164 -4.022 -10.661 2.854 1.00 0.30 C ATOM 2537 O SER A 164 -3.781 -9.626 3.445 1.00 0.28 O ATOM 2538 CB SER A 164 -6.085 -10.958 1.477 1.00 0.43 C ATOM 2539 OG SER A 164 -6.521 -10.980 2.830 1.00 1.07 O ATOM 0 H SER A 164 -4.479 -12.458 0.294 1.00 0.34 H new ATOM 0 HA SER A 164 -4.436 -9.679 0.976 1.00 0.33 H new ATOM 0 HB2 SER A 164 -6.636 -10.202 0.917 1.00 0.43 H new ATOM 0 HB3 SER A 164 -6.288 -11.918 1.002 1.00 0.43 H new ATOM 0 HG SER A 164 -6.980 -10.140 3.039 1.00 1.07 H new ATOM 2545 N ARG A 165 -3.802 -11.825 3.403 1.00 0.32 N ATOM 2546 CA ARG A 165 -3.247 -11.907 4.781 1.00 0.31 C ATOM 2547 C ARG A 165 -1.861 -11.262 4.799 1.00 0.27 C ATOM 2548 O ARG A 165 -1.443 -10.692 5.787 1.00 0.29 O ATOM 2549 CB ARG A 165 -3.130 -13.374 5.198 1.00 0.35 C ATOM 2550 CG ARG A 165 -3.768 -13.566 6.575 1.00 0.38 C ATOM 2551 CD ARG A 165 -5.151 -14.201 6.414 1.00 0.53 C ATOM 2552 NE ARG A 165 -5.959 -13.950 7.641 1.00 1.04 N ATOM 2553 CZ ARG A 165 -7.033 -14.654 7.869 1.00 1.45 C ATOM 2554 NH1 ARG A 165 -8.108 -14.455 7.157 1.00 2.11 N ATOM 2555 NH2 ARG A 165 -7.033 -15.558 8.810 1.00 2.15 N ATOM 0 H ARG A 165 -3.984 -12.723 2.955 1.00 0.32 H new ATOM 0 HA ARG A 165 -3.907 -11.386 5.475 1.00 0.31 H new ATOM 0 HB2 ARG A 165 -3.624 -14.012 4.465 1.00 0.35 H new ATOM 0 HB3 ARG A 165 -2.082 -13.673 5.226 1.00 0.35 H new ATOM 0 HG2 ARG A 165 -3.135 -14.201 7.195 1.00 0.38 H new ATOM 0 HG3 ARG A 165 -3.854 -12.606 7.084 1.00 0.38 H new ATOM 0 HD2 ARG A 165 -5.655 -13.784 5.542 1.00 0.53 H new ATOM 0 HD3 ARG A 165 -5.053 -15.273 6.243 1.00 0.53 H new ATOM 0 HE ARG A 165 -5.672 -13.228 8.302 1.00 1.04 H new ATOM 0 HH11 ARG A 165 -8.109 -13.748 6.421 1.00 2.11 H new ATOM 0 HH12 ARG A 165 -8.947 -15.006 7.336 1.00 2.11 H new ATOM 0 HH21 ARG A 165 -6.193 -15.714 9.367 1.00 2.15 H new ATOM 0 HH22 ARG A 165 -7.873 -16.109 8.988 1.00 2.15 H new ATOM 2569 N ILE A 166 -1.147 -11.346 3.710 1.00 0.26 N ATOM 2570 CA ILE A 166 0.209 -10.736 3.659 1.00 0.24 C ATOM 2571 C ILE A 166 0.078 -9.219 3.770 1.00 0.23 C ATOM 2572 O ILE A 166 0.817 -8.571 4.484 1.00 0.25 O ATOM 2573 CB ILE A 166 0.879 -11.092 2.332 1.00 0.26 C ATOM 2574 CG1 ILE A 166 1.420 -12.521 2.402 1.00 0.36 C ATOM 2575 CG2 ILE A 166 2.032 -10.123 2.064 1.00 0.38 C ATOM 2576 CD1 ILE A 166 1.428 -13.131 1.000 1.00 0.32 C ATOM 0 H ILE A 166 -1.446 -11.812 2.853 1.00 0.26 H new ATOM 0 HA ILE A 166 0.814 -11.116 4.483 1.00 0.24 H new ATOM 0 HB ILE A 166 0.149 -11.018 1.526 1.00 0.26 H new ATOM 0 HG12 ILE A 166 2.428 -12.520 2.816 1.00 0.36 H new ATOM 0 HG13 ILE A 166 0.803 -13.123 3.069 1.00 0.36 H new ATOM 0 HG21 ILE A 166 2.509 -10.378 1.118 1.00 0.38 H new ATOM 0 HG22 ILE A 166 1.647 -9.104 2.014 1.00 0.38 H new ATOM 0 HG23 ILE A 166 2.763 -10.195 2.870 1.00 0.38 H new ATOM 0 HD11 ILE A 166 1.813 -14.149 1.049 1.00 0.32 H new ATOM 0 HD12 ILE A 166 0.413 -13.146 0.604 1.00 0.32 H new ATOM 0 HD13 ILE A 166 2.064 -12.533 0.347 1.00 0.32 H new ATOM 2588 N ALA A 167 -0.860 -8.647 3.067 1.00 0.23 N ATOM 2589 CA ALA A 167 -1.042 -7.170 3.130 1.00 0.23 C ATOM 2590 C ALA A 167 -1.438 -6.764 4.552 1.00 0.22 C ATOM 2591 O ALA A 167 -1.064 -5.715 5.035 1.00 0.25 O ATOM 2592 CB ALA A 167 -2.144 -6.752 2.155 1.00 0.25 C ATOM 0 H ALA A 167 -1.508 -9.139 2.452 1.00 0.23 H new ATOM 0 HA ALA A 167 -0.109 -6.677 2.859 1.00 0.23 H new ATOM 0 HB1 ALA A 167 -2.279 -5.671 2.200 1.00 0.25 H new ATOM 0 HB2 ALA A 167 -1.863 -7.041 1.142 1.00 0.25 H new ATOM 0 HB3 ALA A 167 -3.077 -7.245 2.427 1.00 0.25 H new ATOM 2598 N ALA A 168 -2.195 -7.585 5.226 1.00 0.22 N ATOM 2599 CA ALA A 168 -2.613 -7.240 6.614 1.00 0.23 C ATOM 2600 C ALA A 168 -1.391 -7.248 7.538 1.00 0.21 C ATOM 2601 O ALA A 168 -1.274 -6.437 8.436 1.00 0.23 O ATOM 2602 CB ALA A 168 -3.633 -8.268 7.110 1.00 0.27 C ATOM 0 H ALA A 168 -2.542 -8.478 4.877 1.00 0.22 H new ATOM 0 HA ALA A 168 -3.063 -6.247 6.619 1.00 0.23 H new ATOM 0 HB1 ALA A 168 -3.939 -8.016 8.125 1.00 0.27 H new ATOM 0 HB2 ALA A 168 -4.505 -8.260 6.456 1.00 0.27 H new ATOM 0 HB3 ALA A 168 -3.182 -9.260 7.103 1.00 0.27 H new ATOM 2608 N TRP A 169 -0.480 -8.160 7.327 1.00 0.24 N ATOM 2609 CA TRP A 169 0.731 -8.220 8.195 1.00 0.25 C ATOM 2610 C TRP A 169 1.570 -6.956 8.004 1.00 0.24 C ATOM 2611 O TRP A 169 1.914 -6.280 8.951 1.00 0.30 O ATOM 2612 CB TRP A 169 1.582 -9.430 7.812 1.00 0.28 C ATOM 2613 CG TRP A 169 0.736 -10.660 7.753 1.00 0.27 C ATOM 2614 CD1 TRP A 169 -0.462 -10.819 8.359 1.00 0.31 C ATOM 2615 CD2 TRP A 169 1.014 -11.908 7.059 1.00 0.27 C ATOM 2616 NE1 TRP A 169 -0.937 -12.090 8.080 1.00 0.33 N ATOM 2617 CE2 TRP A 169 -0.060 -12.799 7.281 1.00 0.31 C ATOM 2618 CE3 TRP A 169 2.087 -12.345 6.265 1.00 0.28 C ATOM 2619 CZ2 TRP A 169 -0.067 -14.085 6.732 1.00 0.36 C ATOM 2620 CZ3 TRP A 169 2.084 -13.634 5.714 1.00 0.33 C ATOM 2621 CH2 TRP A 169 1.011 -14.503 5.947 1.00 0.36 C ATOM 0 H TRP A 169 -0.522 -8.865 6.592 1.00 0.24 H new ATOM 0 HA TRP A 169 0.413 -8.301 9.234 1.00 0.25 H new ATOM 0 HB2 TRP A 169 2.055 -9.259 6.845 1.00 0.28 H new ATOM 0 HB3 TRP A 169 2.382 -9.565 8.539 1.00 0.28 H new ATOM 0 HD1 TRP A 169 -0.966 -10.077 8.961 1.00 0.31 H new ATOM 0 HE1 TRP A 169 -1.825 -12.457 8.422 1.00 0.33 H new ATOM 0 HE3 TRP A 169 2.920 -11.684 6.078 1.00 0.28 H new ATOM 0 HZ2 TRP A 169 -0.899 -14.750 6.913 1.00 0.36 H new ATOM 0 HZ3 TRP A 169 2.915 -13.959 5.106 1.00 0.33 H new ATOM 0 HH2 TRP A 169 1.016 -15.495 5.521 1.00 0.36 H new ATOM 2632 N MET A 170 1.906 -6.637 6.785 1.00 0.28 N ATOM 2633 CA MET A 170 2.731 -5.422 6.528 1.00 0.31 C ATOM 2634 C MET A 170 1.982 -4.172 7.000 1.00 0.30 C ATOM 2635 O MET A 170 2.581 -3.175 7.345 1.00 0.35 O ATOM 2636 CB MET A 170 3.012 -5.302 5.027 1.00 0.36 C ATOM 2637 CG MET A 170 3.707 -6.570 4.522 1.00 0.36 C ATOM 2638 SD MET A 170 3.945 -6.450 2.731 1.00 1.09 S ATOM 2639 CE MET A 170 5.405 -5.379 2.761 1.00 0.30 C ATOM 0 H MET A 170 1.644 -7.166 5.953 1.00 0.28 H new ATOM 0 HA MET A 170 3.670 -5.509 7.074 1.00 0.31 H new ATOM 0 HB2 MET A 170 2.079 -5.148 4.485 1.00 0.36 H new ATOM 0 HB3 MET A 170 3.640 -4.432 4.834 1.00 0.36 H new ATOM 0 HG2 MET A 170 4.668 -6.695 5.021 1.00 0.36 H new ATOM 0 HG3 MET A 170 3.107 -7.448 4.763 1.00 0.36 H new ATOM 0 HE1 MET A 170 5.842 -5.332 1.764 1.00 0.30 H new ATOM 0 HE2 MET A 170 5.115 -4.377 3.078 1.00 0.30 H new ATOM 0 HE3 MET A 170 6.138 -5.782 3.460 1.00 0.30 H new ATOM 2649 N ALA A 171 0.678 -4.214 7.013 1.00 0.29 N ATOM 2650 CA ALA A 171 -0.102 -3.023 7.457 1.00 0.30 C ATOM 2651 C ALA A 171 0.117 -2.776 8.953 1.00 0.28 C ATOM 2652 O ALA A 171 0.463 -1.688 9.366 1.00 0.30 O ATOM 2653 CB ALA A 171 -1.590 -3.264 7.196 1.00 0.33 C ATOM 0 H ALA A 171 0.119 -5.021 6.736 1.00 0.29 H new ATOM 0 HA ALA A 171 0.235 -2.150 6.899 1.00 0.30 H new ATOM 0 HB1 ALA A 171 -2.162 -2.394 7.520 1.00 0.33 H new ATOM 0 HB2 ALA A 171 -1.751 -3.427 6.130 1.00 0.33 H new ATOM 0 HB3 ALA A 171 -1.919 -4.142 7.751 1.00 0.33 H new ATOM 2659 N THR A 172 -0.089 -3.773 9.768 1.00 0.30 N ATOM 2660 CA THR A 172 0.100 -3.588 11.237 1.00 0.32 C ATOM 2661 C THR A 172 1.579 -3.337 11.556 1.00 0.33 C ATOM 2662 O THR A 172 1.910 -2.709 12.543 1.00 0.47 O ATOM 2663 CB THR A 172 -0.370 -4.847 11.970 1.00 0.36 C ATOM 2664 OG1 THR A 172 -1.741 -4.708 12.313 1.00 0.45 O ATOM 2665 CG2 THR A 172 0.460 -5.039 13.240 1.00 0.47 C ATOM 0 H THR A 172 -0.380 -4.708 9.482 1.00 0.30 H new ATOM 0 HA THR A 172 -0.484 -2.727 11.564 1.00 0.32 H new ATOM 0 HB THR A 172 -0.244 -5.715 11.322 1.00 0.36 H new ATOM 0 HG1 THR A 172 -2.044 -5.514 12.781 1.00 0.45 H new ATOM 0 HG21 THR A 172 0.125 -5.936 13.762 1.00 0.47 H new ATOM 0 HG22 THR A 172 1.512 -5.145 12.975 1.00 0.47 H new ATOM 0 HG23 THR A 172 0.336 -4.173 13.890 1.00 0.47 H new ATOM 2673 N TYR A 173 2.469 -3.821 10.735 1.00 0.30 N ATOM 2674 CA TYR A 173 3.922 -3.610 11.003 1.00 0.32 C ATOM 2675 C TYR A 173 4.385 -2.266 10.426 1.00 0.33 C ATOM 2676 O TYR A 173 5.436 -1.768 10.774 1.00 0.48 O ATOM 2677 CB TYR A 173 4.727 -4.740 10.360 1.00 0.35 C ATOM 2678 CG TYR A 173 5.666 -5.329 11.385 1.00 0.49 C ATOM 2679 CD1 TYR A 173 6.598 -4.508 12.033 1.00 1.21 C ATOM 2680 CD2 TYR A 173 5.605 -6.693 11.689 1.00 1.37 C ATOM 2681 CE1 TYR A 173 7.468 -5.053 12.984 1.00 1.40 C ATOM 2682 CE2 TYR A 173 6.475 -7.239 12.641 1.00 1.68 C ATOM 2683 CZ TYR A 173 7.406 -6.418 13.288 1.00 1.30 C ATOM 2684 OH TYR A 173 8.264 -6.955 14.227 1.00 1.73 O ATOM 0 H TYR A 173 2.255 -4.353 9.891 1.00 0.30 H new ATOM 0 HA TYR A 173 4.082 -3.605 12.081 1.00 0.32 H new ATOM 0 HB2 TYR A 173 4.055 -5.510 9.980 1.00 0.35 H new ATOM 0 HB3 TYR A 173 5.291 -4.361 9.508 1.00 0.35 H new ATOM 0 HD1 TYR A 173 6.645 -3.455 11.799 1.00 1.21 H new ATOM 0 HD2 TYR A 173 4.886 -7.326 11.189 1.00 1.37 H new ATOM 0 HE1 TYR A 173 8.187 -4.421 13.483 1.00 1.40 H new ATOM 0 HE2 TYR A 173 6.428 -8.292 12.876 1.00 1.68 H new ATOM 0 HH TYR A 173 8.088 -7.915 14.320 1.00 1.73 H new ATOM 2694 N LEU A 174 3.621 -1.672 9.550 1.00 0.28 N ATOM 2695 CA LEU A 174 4.040 -0.366 8.967 1.00 0.30 C ATOM 2696 C LEU A 174 3.405 0.784 9.759 1.00 0.33 C ATOM 2697 O LEU A 174 3.902 1.892 9.764 1.00 0.39 O ATOM 2698 CB LEU A 174 3.581 -0.294 7.508 1.00 0.34 C ATOM 2699 CG LEU A 174 4.420 0.740 6.754 1.00 0.44 C ATOM 2700 CD1 LEU A 174 4.342 0.464 5.251 1.00 0.49 C ATOM 2701 CD2 LEU A 174 3.878 2.142 7.040 1.00 0.67 C ATOM 0 H LEU A 174 2.728 -2.033 9.214 1.00 0.28 H new ATOM 0 HA LEU A 174 5.125 -0.279 9.016 1.00 0.30 H new ATOM 0 HB2 LEU A 174 3.681 -1.272 7.036 1.00 0.34 H new ATOM 0 HB3 LEU A 174 2.526 -0.024 7.461 1.00 0.34 H new ATOM 0 HG LEU A 174 5.457 0.675 7.083 1.00 0.44 H new ATOM 0 HD11 LEU A 174 4.940 1.201 4.714 1.00 0.49 H new ATOM 0 HD12 LEU A 174 4.726 -0.535 5.044 1.00 0.49 H new ATOM 0 HD13 LEU A 174 3.305 0.529 4.922 1.00 0.49 H new ATOM 0 HD21 LEU A 174 4.475 2.879 6.503 1.00 0.67 H new ATOM 0 HD22 LEU A 174 2.841 2.205 6.710 1.00 0.67 H new ATOM 0 HD23 LEU A 174 3.931 2.341 8.110 1.00 0.67 H new ATOM 2713 N ASN A 175 2.307 0.535 10.425 1.00 0.33 N ATOM 2714 CA ASN A 175 1.649 1.623 11.203 1.00 0.38 C ATOM 2715 C ASN A 175 1.999 1.506 12.690 1.00 0.41 C ATOM 2716 O ASN A 175 2.103 2.495 13.388 1.00 0.60 O ATOM 2717 CB ASN A 175 0.130 1.511 11.035 1.00 0.41 C ATOM 2718 CG ASN A 175 -0.495 2.909 10.994 1.00 0.58 C ATOM 2719 OD1 ASN A 175 0.200 3.900 10.886 1.00 1.18 O ATOM 2720 ND2 ASN A 175 -1.792 3.031 11.077 1.00 1.14 N ATOM 0 H ASN A 175 1.840 -0.371 10.463 1.00 0.33 H new ATOM 0 HA ASN A 175 2.001 2.586 10.832 1.00 0.38 H new ATOM 0 HB2 ASN A 175 -0.104 0.971 10.117 1.00 0.41 H new ATOM 0 HB3 ASN A 175 -0.294 0.938 11.859 1.00 0.41 H new ATOM 0 HD21 ASN A 175 -2.220 3.957 11.051 1.00 1.14 H new ATOM 0 HD22 ASN A 175 -2.378 2.201 11.168 1.00 1.14 H new ATOM 2727 N ASP A 176 2.173 0.312 13.188 1.00 0.51 N ATOM 2728 CA ASP A 176 2.504 0.155 14.635 1.00 0.55 C ATOM 2729 C ASP A 176 4.008 -0.081 14.835 1.00 0.51 C ATOM 2730 O ASP A 176 4.441 -0.419 15.919 1.00 0.77 O ATOM 2731 CB ASP A 176 1.730 -1.037 15.200 1.00 0.89 C ATOM 2732 CG ASP A 176 0.667 -0.541 16.182 1.00 1.35 C ATOM 2733 OD1 ASP A 176 -0.358 -0.064 15.724 1.00 1.82 O ATOM 2734 OD2 ASP A 176 0.896 -0.647 17.376 1.00 1.98 O ATOM 0 H ASP A 176 2.101 -0.558 12.660 1.00 0.51 H new ATOM 0 HA ASP A 176 2.225 1.072 15.155 1.00 0.55 H new ATOM 0 HB2 ASP A 176 1.259 -1.594 14.390 1.00 0.89 H new ATOM 0 HB3 ASP A 176 2.413 -1.721 15.703 1.00 0.89 H new ATOM 2739 N HIS A 177 4.812 0.087 13.819 1.00 0.60 N ATOM 2740 CA HIS A 177 6.276 -0.141 14.000 1.00 0.66 C ATOM 2741 C HIS A 177 7.077 0.809 13.106 1.00 0.65 C ATOM 2742 O HIS A 177 7.956 1.513 13.564 1.00 1.19 O ATOM 2743 CB HIS A 177 6.613 -1.587 13.629 1.00 1.02 C ATOM 2744 CG HIS A 177 6.659 -2.426 14.875 1.00 0.94 C ATOM 2745 ND1 HIS A 177 7.846 -2.932 15.382 1.00 1.22 N ATOM 2746 CD2 HIS A 177 5.673 -2.858 15.726 1.00 0.86 C ATOM 2747 CE1 HIS A 177 7.546 -3.633 16.491 1.00 1.18 C ATOM 2748 NE2 HIS A 177 6.235 -3.620 16.746 1.00 0.90 N ATOM 0 H HIS A 177 4.524 0.369 12.882 1.00 0.60 H new ATOM 0 HA HIS A 177 6.537 0.047 15.041 1.00 0.66 H new ATOM 0 HB2 HIS A 177 5.866 -1.981 12.940 1.00 1.02 H new ATOM 0 HB3 HIS A 177 7.573 -1.627 13.115 1.00 1.02 H new ATOM 0 HD2 HIS A 177 4.621 -2.640 15.620 1.00 0.86 H new ATOM 0 HE1 HIS A 177 8.277 -4.144 17.101 1.00 1.18 H new ATOM 0 HE2 HIS A 177 5.750 -4.071 17.521 1.00 0.90 H new ATOM 2756 N LEU A 178 6.790 0.832 11.834 1.00 0.50 N ATOM 2757 CA LEU A 178 7.544 1.732 10.914 1.00 0.41 C ATOM 2758 C LEU A 178 6.990 3.160 10.975 1.00 0.37 C ATOM 2759 O LEU A 178 7.615 4.088 10.503 1.00 0.44 O ATOM 2760 CB LEU A 178 7.420 1.212 9.480 1.00 0.45 C ATOM 2761 CG LEU A 178 7.884 -0.243 9.416 1.00 0.41 C ATOM 2762 CD1 LEU A 178 7.549 -0.821 8.040 1.00 0.44 C ATOM 2763 CD2 LEU A 178 9.397 -0.306 9.641 1.00 0.42 C ATOM 0 H LEU A 178 6.066 0.267 11.391 1.00 0.50 H new ATOM 0 HA LEU A 178 8.589 1.745 11.223 1.00 0.41 H new ATOM 0 HB2 LEU A 178 6.386 1.289 9.143 1.00 0.45 H new ATOM 0 HB3 LEU A 178 8.020 1.825 8.808 1.00 0.45 H new ATOM 0 HG LEU A 178 7.378 -0.822 10.188 1.00 0.41 H new ATOM 0 HD11 LEU A 178 7.879 -1.859 7.991 1.00 0.44 H new ATOM 0 HD12 LEU A 178 6.472 -0.774 7.878 1.00 0.44 H new ATOM 0 HD13 LEU A 178 8.057 -0.242 7.269 1.00 0.44 H new ATOM 0 HD21 LEU A 178 9.729 -1.343 9.596 1.00 0.42 H new ATOM 0 HD22 LEU A 178 9.904 0.271 8.868 1.00 0.42 H new ATOM 0 HD23 LEU A 178 9.637 0.109 10.620 1.00 0.42 H new ATOM 2775 N GLU A 179 5.827 3.357 11.539 1.00 0.33 N ATOM 2776 CA GLU A 179 5.267 4.738 11.601 1.00 0.36 C ATOM 2777 C GLU A 179 5.996 5.574 12.667 1.00 0.34 C ATOM 2778 O GLU A 179 6.478 6.643 12.362 1.00 0.37 O ATOM 2779 CB GLU A 179 3.769 4.681 11.911 1.00 0.44 C ATOM 2780 CG GLU A 179 2.993 5.422 10.821 1.00 1.07 C ATOM 2781 CD GLU A 179 1.833 6.193 11.454 1.00 1.55 C ATOM 2782 OE1 GLU A 179 1.390 5.790 12.517 1.00 2.04 O ATOM 2783 OE2 GLU A 179 1.408 7.173 10.865 1.00 2.33 O ATOM 0 H GLU A 179 5.246 2.629 11.955 1.00 0.33 H new ATOM 0 HA GLU A 179 5.414 5.214 10.632 1.00 0.36 H new ATOM 0 HB2 GLU A 179 3.438 3.644 11.967 1.00 0.44 H new ATOM 0 HB3 GLU A 179 3.571 5.132 12.883 1.00 0.44 H new ATOM 0 HG2 GLU A 179 3.654 6.109 10.292 1.00 1.07 H new ATOM 0 HG3 GLU A 179 2.614 4.714 10.084 1.00 1.07 H new ATOM 2790 N PRO A 180 6.059 5.082 13.885 1.00 0.33 N ATOM 2791 CA PRO A 180 6.727 5.792 14.989 1.00 0.34 C ATOM 2792 C PRO A 180 8.154 6.191 14.598 1.00 0.30 C ATOM 2793 O PRO A 180 8.610 7.270 14.916 1.00 0.31 O ATOM 2794 CB PRO A 180 6.771 4.811 16.156 1.00 0.41 C ATOM 2795 CG PRO A 180 5.614 3.836 15.838 1.00 0.55 C ATOM 2796 CD PRO A 180 5.478 3.780 14.297 1.00 0.37 C ATOM 0 HA PRO A 180 6.191 6.707 15.242 1.00 0.34 H new ATOM 0 HB2 PRO A 180 7.729 4.295 16.213 1.00 0.41 H new ATOM 0 HB3 PRO A 180 6.623 5.314 17.112 1.00 0.41 H new ATOM 0 HG2 PRO A 180 5.822 2.846 16.243 1.00 0.55 H new ATOM 0 HG3 PRO A 180 4.685 4.178 16.295 1.00 0.55 H new ATOM 0 HD2 PRO A 180 6.022 2.938 13.870 1.00 0.37 H new ATOM 0 HD3 PRO A 180 4.439 3.680 13.983 1.00 0.37 H new ATOM 2804 N TRP A 181 8.865 5.331 13.922 1.00 0.33 N ATOM 2805 CA TRP A 181 10.263 5.673 13.527 1.00 0.32 C ATOM 2806 C TRP A 181 10.254 6.557 12.279 1.00 0.30 C ATOM 2807 O TRP A 181 11.139 7.364 12.074 1.00 0.32 O ATOM 2808 CB TRP A 181 11.039 4.389 13.227 1.00 0.32 C ATOM 2809 CG TRP A 181 12.447 4.733 12.860 1.00 0.40 C ATOM 2810 CD1 TRP A 181 13.514 4.611 13.682 1.00 1.31 C ATOM 2811 CD2 TRP A 181 12.960 5.254 11.597 1.00 0.41 C ATOM 2812 NE1 TRP A 181 14.649 5.022 13.006 1.00 1.37 N ATOM 2813 CE2 TRP A 181 14.359 5.427 11.718 1.00 0.48 C ATOM 2814 CE3 TRP A 181 12.354 5.588 10.372 1.00 1.40 C ATOM 2815 CZ2 TRP A 181 15.130 5.916 10.661 1.00 0.35 C ATOM 2816 CZ3 TRP A 181 13.127 6.080 9.307 1.00 1.76 C ATOM 2817 CH2 TRP A 181 14.512 6.243 9.452 1.00 1.09 C ATOM 0 H TRP A 181 8.541 4.410 13.627 1.00 0.33 H new ATOM 0 HA TRP A 181 10.740 6.211 14.346 1.00 0.32 H new ATOM 0 HB2 TRP A 181 11.028 3.733 14.097 1.00 0.32 H new ATOM 0 HB3 TRP A 181 10.562 3.845 12.412 1.00 0.32 H new ATOM 0 HD1 TRP A 181 13.485 4.251 14.700 1.00 1.31 H new ATOM 0 HE1 TRP A 181 15.586 5.025 13.410 1.00 1.37 H new ATOM 0 HE3 TRP A 181 11.288 5.465 10.250 1.00 1.40 H new ATOM 0 HZ2 TRP A 181 16.196 6.040 10.778 1.00 0.35 H new ATOM 0 HZ3 TRP A 181 12.652 6.334 8.371 1.00 1.76 H new ATOM 0 HH2 TRP A 181 15.101 6.621 8.629 1.00 1.09 H new ATOM 2828 N ILE A 182 9.267 6.411 11.442 1.00 0.31 N ATOM 2829 CA ILE A 182 9.210 7.243 10.208 1.00 0.31 C ATOM 2830 C ILE A 182 9.007 8.712 10.585 1.00 0.33 C ATOM 2831 O ILE A 182 9.451 9.606 9.893 1.00 0.52 O ATOM 2832 CB ILE A 182 8.044 6.774 9.337 1.00 0.32 C ATOM 2833 CG1 ILE A 182 8.517 5.639 8.427 1.00 0.29 C ATOM 2834 CG2 ILE A 182 7.543 7.939 8.481 1.00 0.37 C ATOM 2835 CD1 ILE A 182 7.307 4.956 7.789 1.00 0.34 C ATOM 0 H ILE A 182 8.497 5.752 11.558 1.00 0.31 H new ATOM 0 HA ILE A 182 10.145 7.140 9.657 1.00 0.31 H new ATOM 0 HB ILE A 182 7.234 6.419 9.974 1.00 0.32 H new ATOM 0 HG12 ILE A 182 9.176 6.031 7.653 1.00 0.29 H new ATOM 0 HG13 ILE A 182 9.095 4.915 9.002 1.00 0.29 H new ATOM 0 HG21 ILE A 182 6.712 7.604 7.861 1.00 0.37 H new ATOM 0 HG22 ILE A 182 7.208 8.749 9.129 1.00 0.37 H new ATOM 0 HG23 ILE A 182 8.351 8.296 7.843 1.00 0.37 H new ATOM 0 HD11 ILE A 182 7.645 4.148 7.141 1.00 0.34 H new ATOM 0 HD12 ILE A 182 6.664 4.550 8.570 1.00 0.34 H new ATOM 0 HD13 ILE A 182 6.747 5.683 7.200 1.00 0.34 H new ATOM 2847 N GLN A 183 8.341 8.965 11.675 1.00 0.32 N ATOM 2848 CA GLN A 183 8.106 10.372 12.101 1.00 0.33 C ATOM 2849 C GLN A 183 9.226 10.812 13.043 1.00 0.34 C ATOM 2850 O GLN A 183 9.605 11.966 13.082 1.00 0.43 O ATOM 2851 CB GLN A 183 6.765 10.455 12.836 1.00 0.37 C ATOM 2852 CG GLN A 183 6.082 11.785 12.509 1.00 0.41 C ATOM 2853 CD GLN A 183 4.572 11.570 12.397 1.00 0.90 C ATOM 2854 OE1 GLN A 183 4.126 10.590 11.834 1.00 1.67 O ATOM 2855 NE2 GLN A 183 3.760 12.451 12.913 1.00 1.46 N ATOM 0 H GLN A 183 7.947 8.255 12.292 1.00 0.32 H new ATOM 0 HA GLN A 183 8.090 11.023 11.227 1.00 0.33 H new ATOM 0 HB2 GLN A 183 6.125 9.624 12.541 1.00 0.37 H new ATOM 0 HB3 GLN A 183 6.922 10.370 13.911 1.00 0.37 H new ATOM 0 HG2 GLN A 183 6.299 12.518 13.286 1.00 0.41 H new ATOM 0 HG3 GLN A 183 6.473 12.186 11.574 1.00 0.41 H new ATOM 0 HE21 GLN A 183 4.134 13.274 13.386 1.00 1.46 H new ATOM 0 HE22 GLN A 183 2.751 12.317 12.844 1.00 1.46 H new ATOM 2864 N GLU A 184 9.758 9.896 13.800 1.00 0.37 N ATOM 2865 CA GLU A 184 10.854 10.248 14.743 1.00 0.41 C ATOM 2866 C GLU A 184 12.150 10.512 13.965 1.00 0.38 C ATOM 2867 O GLU A 184 13.067 11.128 14.471 1.00 0.48 O ATOM 2868 CB GLU A 184 11.071 9.087 15.716 1.00 0.51 C ATOM 2869 CG GLU A 184 12.481 9.169 16.304 1.00 0.67 C ATOM 2870 CD GLU A 184 12.590 8.228 17.505 1.00 1.14 C ATOM 2871 OE1 GLU A 184 11.631 7.522 17.768 1.00 1.73 O ATOM 2872 OE2 GLU A 184 13.631 8.230 18.142 1.00 1.75 O ATOM 0 H GLU A 184 9.480 8.915 13.806 1.00 0.37 H new ATOM 0 HA GLU A 184 10.581 11.148 15.295 1.00 0.41 H new ATOM 0 HB2 GLU A 184 10.330 9.125 16.515 1.00 0.51 H new ATOM 0 HB3 GLU A 184 10.936 8.136 15.200 1.00 0.51 H new ATOM 0 HG2 GLU A 184 13.218 8.897 15.548 1.00 0.67 H new ATOM 0 HG3 GLU A 184 12.700 10.192 16.609 1.00 0.67 H new ATOM 2879 N ASN A 185 12.240 10.054 12.742 1.00 0.37 N ATOM 2880 CA ASN A 185 13.482 10.287 11.954 1.00 0.46 C ATOM 2881 C ASN A 185 13.187 11.203 10.760 1.00 0.57 C ATOM 2882 O ASN A 185 13.900 11.196 9.776 1.00 0.82 O ATOM 2883 CB ASN A 185 14.018 8.947 11.446 1.00 0.57 C ATOM 2884 CG ASN A 185 15.458 8.757 11.929 1.00 1.17 C ATOM 2885 OD1 ASN A 185 16.393 8.941 11.175 1.00 2.06 O ATOM 2886 ND2 ASN A 185 15.677 8.394 13.163 1.00 1.68 N ATOM 0 H ASN A 185 11.509 9.531 12.259 1.00 0.37 H new ATOM 0 HA ASN A 185 14.225 10.765 12.593 1.00 0.46 H new ATOM 0 HB2 ASN A 185 13.391 8.132 11.808 1.00 0.57 H new ATOM 0 HB3 ASN A 185 13.982 8.918 10.357 1.00 0.57 H new ATOM 0 HD21 ASN A 185 16.633 8.265 13.495 1.00 1.68 H new ATOM 0 HD22 ASN A 185 14.892 8.240 13.796 1.00 1.68 H new ATOM 2893 N GLY A 186 12.149 11.995 10.832 1.00 0.52 N ATOM 2894 CA GLY A 186 11.835 12.904 9.692 1.00 0.67 C ATOM 2895 C GLY A 186 10.359 12.779 9.304 1.00 0.79 C ATOM 2896 O GLY A 186 9.528 13.556 9.729 1.00 1.60 O ATOM 0 H GLY A 186 11.510 12.051 11.625 1.00 0.52 H new ATOM 0 HA2 GLY A 186 12.060 13.934 9.967 1.00 0.67 H new ATOM 0 HA3 GLY A 186 12.465 12.658 8.837 1.00 0.67 H new ATOM 2900 N GLY A 187 10.027 11.809 8.495 1.00 0.29 N ATOM 2901 CA GLY A 187 8.607 11.639 8.076 1.00 0.29 C ATOM 2902 C GLY A 187 8.557 11.075 6.653 1.00 0.27 C ATOM 2903 O GLY A 187 9.540 11.079 5.935 1.00 0.27 O ATOM 0 H GLY A 187 10.678 11.127 8.106 1.00 0.29 H new ATOM 0 HA2 GLY A 187 8.092 10.967 8.763 1.00 0.29 H new ATOM 0 HA3 GLY A 187 8.088 12.596 8.117 1.00 0.29 H new ATOM 2907 N TRP A 188 7.417 10.592 6.239 1.00 0.27 N ATOM 2908 CA TRP A 188 7.298 10.028 4.864 1.00 0.28 C ATOM 2909 C TRP A 188 7.745 11.071 3.833 1.00 0.29 C ATOM 2910 O TRP A 188 8.134 10.735 2.734 1.00 0.31 O ATOM 2911 CB TRP A 188 5.841 9.647 4.593 1.00 0.30 C ATOM 2912 CG TRP A 188 5.561 8.287 5.148 1.00 0.33 C ATOM 2913 CD1 TRP A 188 4.916 8.042 6.311 1.00 0.45 C ATOM 2914 CD2 TRP A 188 5.898 6.984 4.585 1.00 0.34 C ATOM 2915 NE1 TRP A 188 4.834 6.674 6.498 1.00 0.50 N ATOM 2916 CE2 TRP A 188 5.426 5.980 5.462 1.00 0.44 C ATOM 2917 CE3 TRP A 188 6.562 6.580 3.411 1.00 0.35 C ATOM 2918 CZ2 TRP A 188 5.603 4.624 5.184 1.00 0.51 C ATOM 2919 CZ3 TRP A 188 6.741 5.216 3.130 1.00 0.46 C ATOM 2920 CH2 TRP A 188 6.263 4.241 4.014 1.00 0.51 C ATOM 0 H TRP A 188 6.562 10.564 6.794 1.00 0.27 H new ATOM 0 HA TRP A 188 7.932 9.145 4.785 1.00 0.28 H new ATOM 0 HB2 TRP A 188 5.174 10.379 5.047 1.00 0.30 H new ATOM 0 HB3 TRP A 188 5.646 9.659 3.521 1.00 0.30 H new ATOM 0 HD1 TRP A 188 4.528 8.792 6.984 1.00 0.45 H new ATOM 0 HE1 TRP A 188 4.390 6.232 7.303 1.00 0.50 H new ATOM 0 HE3 TRP A 188 6.936 7.324 2.723 1.00 0.35 H new ATOM 0 HZ2 TRP A 188 5.232 3.876 5.869 1.00 0.51 H new ATOM 0 HZ3 TRP A 188 7.251 4.917 2.226 1.00 0.46 H new ATOM 0 HH2 TRP A 188 6.404 3.194 3.791 1.00 0.51 H new ATOM 2931 N ASP A 189 7.690 12.332 4.173 1.00 0.33 N ATOM 2932 CA ASP A 189 8.111 13.383 3.204 1.00 0.36 C ATOM 2933 C ASP A 189 9.622 13.295 2.969 1.00 0.34 C ATOM 2934 O ASP A 189 10.075 13.120 1.856 1.00 0.36 O ATOM 2935 CB ASP A 189 7.763 14.763 3.765 1.00 0.41 C ATOM 2936 CG ASP A 189 6.338 14.743 4.323 1.00 1.49 C ATOM 2937 OD1 ASP A 189 5.448 14.322 3.604 1.00 2.32 O ATOM 2938 OD2 ASP A 189 6.163 15.149 5.460 1.00 2.19 O ATOM 0 H ASP A 189 7.372 12.678 5.078 1.00 0.33 H new ATOM 0 HA ASP A 189 7.590 13.230 2.259 1.00 0.36 H new ATOM 0 HB2 ASP A 189 8.468 15.037 4.550 1.00 0.41 H new ATOM 0 HB3 ASP A 189 7.848 15.517 2.983 1.00 0.41 H new ATOM 2943 N THR A 190 10.404 13.418 4.007 1.00 0.34 N ATOM 2944 CA THR A 190 11.884 13.343 3.840 1.00 0.35 C ATOM 2945 C THR A 190 12.254 12.044 3.125 1.00 0.31 C ATOM 2946 O THR A 190 13.046 12.034 2.204 1.00 0.35 O ATOM 2947 CB THR A 190 12.556 13.374 5.215 1.00 0.38 C ATOM 2948 OG1 THR A 190 12.966 14.702 5.511 1.00 0.64 O ATOM 2949 CG2 THR A 190 13.774 12.449 5.214 1.00 0.47 C ATOM 0 H THR A 190 10.082 13.567 4.963 1.00 0.34 H new ATOM 0 HA THR A 190 12.224 14.193 3.248 1.00 0.35 H new ATOM 0 HB THR A 190 11.848 13.035 5.972 1.00 0.38 H new ATOM 0 HG1 THR A 190 13.395 14.723 6.392 1.00 0.64 H new ATOM 0 HG21 THR A 190 14.250 12.473 6.194 1.00 0.47 H new ATOM 0 HG22 THR A 190 13.457 11.430 4.990 1.00 0.47 H new ATOM 0 HG23 THR A 190 14.484 12.783 4.457 1.00 0.47 H new ATOM 2957 N PHE A 191 11.689 10.944 3.542 1.00 0.28 N ATOM 2958 CA PHE A 191 12.014 9.649 2.882 1.00 0.28 C ATOM 2959 C PHE A 191 11.716 9.751 1.386 1.00 0.29 C ATOM 2960 O PHE A 191 12.440 9.228 0.563 1.00 0.30 O ATOM 2961 CB PHE A 191 11.172 8.537 3.500 1.00 0.33 C ATOM 2962 CG PHE A 191 11.138 7.350 2.569 1.00 0.29 C ATOM 2963 CD1 PHE A 191 12.321 6.881 1.984 1.00 1.19 C ATOM 2964 CD2 PHE A 191 9.922 6.717 2.291 1.00 1.30 C ATOM 2965 CE1 PHE A 191 12.286 5.780 1.121 1.00 1.19 C ATOM 2966 CE2 PHE A 191 9.888 5.617 1.428 1.00 1.34 C ATOM 2967 CZ PHE A 191 11.069 5.148 0.843 1.00 0.43 C ATOM 0 H PHE A 191 11.019 10.886 4.309 1.00 0.28 H new ATOM 0 HA PHE A 191 13.071 9.422 3.025 1.00 0.28 H new ATOM 0 HB2 PHE A 191 11.589 8.244 4.464 1.00 0.33 H new ATOM 0 HB3 PHE A 191 10.159 8.895 3.686 1.00 0.33 H new ATOM 0 HD1 PHE A 191 13.260 7.369 2.199 1.00 1.19 H new ATOM 0 HD2 PHE A 191 9.010 7.078 2.743 1.00 1.30 H new ATOM 0 HE1 PHE A 191 13.198 5.418 0.670 1.00 1.19 H new ATOM 0 HE2 PHE A 191 8.949 5.129 1.213 1.00 1.34 H new ATOM 0 HZ PHE A 191 11.041 4.298 0.177 1.00 0.43 H new ATOM 2977 N VAL A 192 10.660 10.425 1.025 1.00 0.32 N ATOM 2978 CA VAL A 192 10.329 10.561 -0.418 1.00 0.38 C ATOM 2979 C VAL A 192 11.468 11.313 -1.103 1.00 0.42 C ATOM 2980 O VAL A 192 11.842 11.020 -2.219 1.00 0.51 O ATOM 2981 CB VAL A 192 9.025 11.346 -0.574 1.00 0.43 C ATOM 2982 CG1 VAL A 192 8.889 11.830 -2.019 1.00 0.52 C ATOM 2983 CG2 VAL A 192 7.841 10.440 -0.228 1.00 0.43 C ATOM 0 H VAL A 192 10.014 10.886 1.666 1.00 0.32 H new ATOM 0 HA VAL A 192 10.204 9.577 -0.870 1.00 0.38 H new ATOM 0 HB VAL A 192 9.036 12.205 0.097 1.00 0.43 H new ATOM 0 HG11 VAL A 192 7.960 12.389 -2.130 1.00 0.52 H new ATOM 0 HG12 VAL A 192 9.732 12.474 -2.268 1.00 0.52 H new ATOM 0 HG13 VAL A 192 8.878 10.972 -2.691 1.00 0.52 H new ATOM 0 HG21 VAL A 192 6.911 10.998 -0.339 1.00 0.43 H new ATOM 0 HG22 VAL A 192 7.831 9.582 -0.900 1.00 0.43 H new ATOM 0 HG23 VAL A 192 7.936 10.094 0.801 1.00 0.43 H new ATOM 2993 N GLU A 193 12.022 12.282 -0.431 1.00 0.40 N ATOM 2994 CA GLU A 193 13.143 13.065 -1.021 1.00 0.47 C ATOM 2995 C GLU A 193 14.399 12.190 -1.106 1.00 0.45 C ATOM 2996 O GLU A 193 15.278 12.429 -1.910 1.00 0.53 O ATOM 2997 CB GLU A 193 13.429 14.275 -0.127 1.00 0.50 C ATOM 2998 CG GLU A 193 12.677 15.495 -0.660 1.00 1.00 C ATOM 2999 CD GLU A 193 13.522 16.190 -1.729 1.00 1.46 C ATOM 3000 OE1 GLU A 193 14.023 15.499 -2.601 1.00 1.94 O ATOM 3001 OE2 GLU A 193 13.653 17.400 -1.658 1.00 2.14 O ATOM 0 H GLU A 193 11.745 12.567 0.508 1.00 0.40 H new ATOM 0 HA GLU A 193 12.869 13.397 -2.022 1.00 0.47 H new ATOM 0 HB2 GLU A 193 13.121 14.064 0.897 1.00 0.50 H new ATOM 0 HB3 GLU A 193 14.500 14.477 -0.103 1.00 0.50 H new ATOM 0 HG2 GLU A 193 11.719 15.189 -1.081 1.00 1.00 H new ATOM 0 HG3 GLU A 193 12.461 16.187 0.154 1.00 1.00 H new ATOM 3008 N LEU A 194 14.495 11.181 -0.280 1.00 0.38 N ATOM 3009 CA LEU A 194 15.697 10.300 -0.312 1.00 0.40 C ATOM 3010 C LEU A 194 15.628 9.339 -1.505 1.00 0.42 C ATOM 3011 O LEU A 194 16.437 9.405 -2.409 1.00 0.61 O ATOM 3012 CB LEU A 194 15.764 9.494 0.988 1.00 0.37 C ATOM 3013 CG LEU A 194 16.880 10.049 1.874 1.00 0.58 C ATOM 3014 CD1 LEU A 194 16.486 9.903 3.344 1.00 0.72 C ATOM 3015 CD2 LEU A 194 18.171 9.271 1.613 1.00 1.06 C ATOM 0 H LEU A 194 13.792 10.930 0.415 1.00 0.38 H new ATOM 0 HA LEU A 194 16.588 10.920 -0.414 1.00 0.40 H new ATOM 0 HB2 LEU A 194 14.809 9.547 1.511 1.00 0.37 H new ATOM 0 HB3 LEU A 194 15.949 8.443 0.768 1.00 0.37 H new ATOM 0 HG LEU A 194 17.036 11.103 1.644 1.00 0.58 H new ATOM 0 HD11 LEU A 194 17.282 10.299 3.975 1.00 0.72 H new ATOM 0 HD12 LEU A 194 15.566 10.456 3.531 1.00 0.72 H new ATOM 0 HD13 LEU A 194 16.329 8.850 3.576 1.00 0.72 H new ATOM 0 HD21 LEU A 194 18.967 9.666 2.244 1.00 1.06 H new ATOM 0 HD22 LEU A 194 18.014 8.217 1.844 1.00 1.06 H new ATOM 0 HD23 LEU A 194 18.453 9.375 0.565 1.00 1.06 H new ATOM 3027 N TYR A 195 14.679 8.441 -1.515 1.00 0.38 N ATOM 3028 CA TYR A 195 14.579 7.477 -2.651 1.00 0.42 C ATOM 3029 C TYR A 195 13.467 7.901 -3.614 1.00 0.48 C ATOM 3030 O TYR A 195 13.634 7.861 -4.814 1.00 0.69 O ATOM 3031 CB TYR A 195 14.268 6.082 -2.104 1.00 0.41 C ATOM 3032 CG TYR A 195 15.558 5.332 -1.873 1.00 0.48 C ATOM 3033 CD1 TYR A 195 16.684 6.009 -1.389 1.00 1.30 C ATOM 3034 CD2 TYR A 195 15.628 3.960 -2.141 1.00 1.32 C ATOM 3035 CE1 TYR A 195 17.880 5.314 -1.174 1.00 1.36 C ATOM 3036 CE2 TYR A 195 16.823 3.264 -1.925 1.00 1.40 C ATOM 3037 CZ TYR A 195 17.950 3.941 -1.442 1.00 0.77 C ATOM 3038 OH TYR A 195 19.128 3.256 -1.230 1.00 0.94 O ATOM 0 H TYR A 195 13.971 8.333 -0.789 1.00 0.38 H new ATOM 0 HA TYR A 195 15.527 7.465 -3.189 1.00 0.42 H new ATOM 0 HB2 TYR A 195 13.709 6.162 -1.171 1.00 0.41 H new ATOM 0 HB3 TYR A 195 13.639 5.536 -2.807 1.00 0.41 H new ATOM 0 HD1 TYR A 195 16.630 7.067 -1.182 1.00 1.30 H new ATOM 0 HD2 TYR A 195 14.759 3.438 -2.515 1.00 1.32 H new ATOM 0 HE1 TYR A 195 18.749 5.836 -0.801 1.00 1.36 H new ATOM 0 HE2 TYR A 195 16.876 2.205 -2.131 1.00 1.40 H new ATOM 0 HH TYR A 195 19.005 2.313 -1.465 1.00 0.94 H new ATOM 3048 N GLY A 196 12.336 8.295 -3.092 1.00 0.39 N ATOM 3049 CA GLY A 196 11.194 8.719 -3.955 1.00 0.47 C ATOM 3050 C GLY A 196 11.641 9.787 -4.952 1.00 0.96 C ATOM 3051 O GLY A 196 11.610 10.969 -4.677 1.00 1.74 O ATOM 0 H GLY A 196 12.152 8.342 -2.090 1.00 0.39 H new ATOM 0 HA2 GLY A 196 10.797 7.857 -4.491 1.00 0.47 H new ATOM 0 HA3 GLY A 196 10.387 9.108 -3.334 1.00 0.47 H new ATOM 3055 N ASN A 197 12.053 9.373 -6.111 1.00 1.52 N ATOM 3056 CA ASN A 197 12.503 10.350 -7.142 1.00 2.39 C ATOM 3057 C ASN A 197 11.392 10.544 -8.176 1.00 2.64 C ATOM 3058 O ASN A 197 10.882 9.596 -8.739 1.00 3.02 O ATOM 3059 CB ASN A 197 13.758 9.818 -7.837 1.00 3.13 C ATOM 3060 CG ASN A 197 14.120 10.732 -9.010 1.00 3.94 C ATOM 3061 OD1 ASN A 197 14.031 10.335 -10.155 1.00 4.33 O ATOM 3062 ND2 ASN A 197 14.526 11.949 -8.771 1.00 4.68 N ATOM 0 H ASN A 197 12.099 8.394 -6.394 1.00 1.52 H new ATOM 0 HA ASN A 197 12.729 11.304 -6.665 1.00 2.39 H new ATOM 0 HB2 ASN A 197 14.586 9.772 -7.130 1.00 3.13 H new ATOM 0 HB3 ASN A 197 13.586 8.802 -8.193 1.00 3.13 H new ATOM 0 HD21 ASN A 197 14.769 12.567 -9.545 1.00 4.68 H new ATOM 0 HD22 ASN A 197 14.601 12.282 -7.810 1.00 4.68 H new ATOM 3069 N ASN A 198 11.011 11.767 -8.430 1.00 3.10 N ATOM 3070 CA ASN A 198 9.932 12.020 -9.427 1.00 3.86 C ATOM 3071 C ASN A 198 10.298 11.358 -10.757 1.00 4.08 C ATOM 3072 O ASN A 198 9.791 10.309 -11.099 1.00 4.41 O ATOM 3073 CB ASN A 198 9.773 13.528 -9.634 1.00 4.66 C ATOM 3074 CG ASN A 198 8.618 14.044 -8.774 1.00 5.31 C ATOM 3075 OD1 ASN A 198 7.630 13.361 -8.590 1.00 5.43 O ATOM 3076 ND2 ASN A 198 8.700 15.230 -8.235 1.00 6.12 N ATOM 0 H ASN A 198 11.400 12.601 -7.990 1.00 3.10 H new ATOM 0 HA ASN A 198 8.994 11.602 -9.061 1.00 3.86 H new ATOM 0 HB2 ASN A 198 10.697 14.042 -9.367 1.00 4.66 H new ATOM 0 HB3 ASN A 198 9.581 13.743 -10.685 1.00 4.66 H new ATOM 0 HD21 ASN A 198 7.935 15.583 -7.660 1.00 6.12 H new ATOM 0 HD22 ASN A 198 9.529 15.804 -8.389 1.00 6.12 H new ATOM 3083 N ALA A 199 11.176 11.963 -11.510 1.00 4.36 N ATOM 3084 CA ALA A 199 11.573 11.367 -12.817 1.00 4.85 C ATOM 3085 C ALA A 199 12.556 12.301 -13.525 1.00 5.09 C ATOM 3086 O ALA A 199 12.452 12.546 -14.710 1.00 5.24 O ATOM 3087 CB ALA A 199 10.331 11.178 -13.689 1.00 5.09 C ATOM 0 H ALA A 199 11.635 12.843 -11.277 1.00 4.36 H new ATOM 0 HA ALA A 199 12.048 10.401 -12.647 1.00 4.85 H new ATOM 0 HB1 ALA A 199 10.621 10.742 -14.645 1.00 5.09 H new ATOM 0 HB2 ALA A 199 9.630 10.513 -13.185 1.00 5.09 H new ATOM 0 HB3 ALA A 199 9.856 12.144 -13.860 1.00 5.09 H new ATOM 3093 N ALA A 200 13.512 12.826 -12.807 1.00 5.53 N ATOM 3094 CA ALA A 200 14.501 13.744 -13.438 1.00 6.10 C ATOM 3095 C ALA A 200 15.154 13.050 -14.634 1.00 6.41 C ATOM 3096 O ALA A 200 15.431 13.664 -15.645 1.00 6.87 O ATOM 3097 CB ALA A 200 15.576 14.115 -12.414 1.00 6.75 C ATOM 0 H ALA A 200 13.650 12.658 -11.810 1.00 5.53 H new ATOM 0 HA ALA A 200 13.993 14.647 -13.777 1.00 6.10 H new ATOM 0 HB1 ALA A 200 16.301 14.787 -12.874 1.00 6.75 H new ATOM 0 HB2 ALA A 200 15.111 14.611 -11.562 1.00 6.75 H new ATOM 0 HB3 ALA A 200 16.083 13.212 -12.075 1.00 6.75 H new ATOM 3103 N ALA A 201 15.402 11.773 -14.529 1.00 6.51 N ATOM 3104 CA ALA A 201 16.037 11.042 -15.662 1.00 7.11 C ATOM 3105 C ALA A 201 17.344 11.737 -16.051 1.00 7.24 C ATOM 3106 O ALA A 201 17.770 11.686 -17.188 1.00 7.38 O ATOM 3107 CB ALA A 201 15.087 11.036 -16.861 1.00 7.58 C ATOM 0 H ALA A 201 15.193 11.205 -13.708 1.00 6.51 H new ATOM 0 HA ALA A 201 16.248 10.016 -15.359 1.00 7.11 H new ATOM 0 HB1 ALA A 201 15.551 10.502 -17.690 1.00 7.58 H new ATOM 0 HB2 ALA A 201 14.156 10.540 -16.585 1.00 7.58 H new ATOM 0 HB3 ALA A 201 14.876 12.062 -17.163 1.00 7.58 H new ATOM 3113 N GLU A 202 17.985 12.387 -15.117 1.00 7.51 N ATOM 3114 CA GLU A 202 19.260 13.083 -15.432 1.00 7.93 C ATOM 3115 C GLU A 202 20.324 12.659 -14.413 1.00 8.15 C ATOM 3116 O GLU A 202 21.307 12.031 -14.753 1.00 8.51 O ATOM 3117 CB GLU A 202 19.029 14.596 -15.365 1.00 8.35 C ATOM 3118 CG GLU A 202 20.292 15.295 -14.867 1.00 8.60 C ATOM 3119 CD GLU A 202 20.259 16.767 -15.283 1.00 9.43 C ATOM 3120 OE1 GLU A 202 19.784 17.044 -16.372 1.00 9.84 O ATOM 3121 OE2 GLU A 202 20.709 17.592 -14.505 1.00 9.86 O ATOM 0 H GLU A 202 17.677 12.465 -14.148 1.00 7.51 H new ATOM 0 HA GLU A 202 19.602 12.819 -16.433 1.00 7.93 H new ATOM 0 HB2 GLU A 202 18.758 14.975 -16.350 1.00 8.35 H new ATOM 0 HB3 GLU A 202 18.195 14.816 -14.699 1.00 8.35 H new ATOM 0 HG2 GLU A 202 20.361 15.214 -13.782 1.00 8.60 H new ATOM 0 HG3 GLU A 202 21.176 14.809 -15.280 1.00 8.60 H new ATOM 3128 N SER A 203 20.133 12.993 -13.165 1.00 8.21 N ATOM 3129 CA SER A 203 21.128 12.606 -12.122 1.00 8.71 C ATOM 3130 C SER A 203 22.519 13.123 -12.502 1.00 8.83 C ATOM 3131 O SER A 203 23.459 12.362 -12.628 1.00 9.03 O ATOM 3132 CB SER A 203 21.169 11.082 -12.001 1.00 9.21 C ATOM 3133 OG SER A 203 19.906 10.548 -12.377 1.00 9.19 O ATOM 0 H SER A 203 19.329 13.518 -12.822 1.00 8.21 H new ATOM 0 HA SER A 203 20.833 13.045 -11.169 1.00 8.71 H new ATOM 0 HB2 SER A 203 21.953 10.676 -12.640 1.00 9.21 H new ATOM 0 HB3 SER A 203 21.409 10.793 -10.978 1.00 9.21 H new ATOM 0 HG SER A 203 19.929 9.571 -12.302 1.00 9.19 H new ATOM 3139 N ARG A 204 22.659 14.409 -12.680 1.00 8.98 N ATOM 3140 CA ARG A 204 23.990 14.980 -13.047 1.00 9.37 C ATOM 3141 C ARG A 204 24.562 14.249 -14.267 1.00 9.36 C ATOM 3142 O ARG A 204 25.759 14.204 -14.467 1.00 9.54 O ATOM 3143 CB ARG A 204 24.951 14.822 -11.867 1.00 9.73 C ATOM 3144 CG ARG A 204 25.063 16.151 -11.117 1.00 10.39 C ATOM 3145 CD ARG A 204 26.354 16.861 -11.527 1.00 11.01 C ATOM 3146 NE ARG A 204 26.207 17.402 -12.907 1.00 11.58 N ATOM 3147 CZ ARG A 204 25.286 18.290 -13.165 1.00 12.26 C ATOM 3148 NH1 ARG A 204 25.090 19.284 -12.343 1.00 12.81 N ATOM 3149 NH2 ARG A 204 24.561 18.183 -14.245 1.00 12.54 N ATOM 0 H ARG A 204 21.907 15.092 -12.587 1.00 8.98 H new ATOM 0 HA ARG A 204 23.869 16.036 -13.289 1.00 9.37 H new ATOM 0 HB2 ARG A 204 24.593 14.042 -11.195 1.00 9.73 H new ATOM 0 HB3 ARG A 204 25.933 14.510 -12.223 1.00 9.73 H new ATOM 0 HG2 ARG A 204 24.202 16.781 -11.341 1.00 10.39 H new ATOM 0 HG3 ARG A 204 25.058 15.975 -10.041 1.00 10.39 H new ATOM 0 HD2 ARG A 204 26.574 17.669 -10.830 1.00 11.01 H new ATOM 0 HD3 ARG A 204 27.193 16.166 -11.485 1.00 11.01 H new ATOM 0 HE ARG A 204 26.826 17.078 -13.650 1.00 11.58 H new ATOM 0 HH11 ARG A 204 25.657 19.367 -11.499 1.00 12.81 H new ATOM 0 HH12 ARG A 204 24.370 19.978 -12.545 1.00 12.81 H new ATOM 0 HH21 ARG A 204 24.714 17.405 -14.887 1.00 12.54 H new ATOM 0 HH22 ARG A 204 23.841 18.877 -14.447 1.00 12.54 H new ATOM 3163 N LYS A 205 23.720 13.676 -15.084 1.00 9.39 N ATOM 3164 CA LYS A 205 24.222 12.952 -16.284 1.00 9.63 C ATOM 3165 C LYS A 205 23.196 13.066 -17.414 1.00 9.68 C ATOM 3166 O LYS A 205 22.330 13.918 -17.396 1.00 9.94 O ATOM 3167 CB LYS A 205 24.433 11.479 -15.934 1.00 9.96 C ATOM 3168 CG LYS A 205 25.860 11.067 -16.295 1.00 10.33 C ATOM 3169 CD LYS A 205 26.856 11.907 -15.493 1.00 10.93 C ATOM 3170 CE LYS A 205 28.207 11.191 -15.447 1.00 11.41 C ATOM 3171 NZ LYS A 205 29.288 12.145 -15.824 1.00 12.17 N ATOM 0 H LYS A 205 22.706 13.679 -14.971 1.00 9.39 H new ATOM 0 HA LYS A 205 25.167 13.390 -16.606 1.00 9.63 H new ATOM 0 HB2 LYS A 205 24.255 11.318 -14.871 1.00 9.96 H new ATOM 0 HB3 LYS A 205 23.717 10.860 -16.474 1.00 9.96 H new ATOM 0 HG2 LYS A 205 26.008 10.008 -16.083 1.00 10.33 H new ATOM 0 HG3 LYS A 205 26.030 11.205 -17.363 1.00 10.33 H new ATOM 0 HD2 LYS A 205 26.969 12.890 -15.949 1.00 10.93 H new ATOM 0 HD3 LYS A 205 26.482 12.066 -14.482 1.00 10.93 H new ATOM 0 HE2 LYS A 205 28.388 10.797 -14.447 1.00 11.41 H new ATOM 0 HE3 LYS A 205 28.203 10.341 -16.129 1.00 11.41 H new ATOM 0 HZ1 LYS A 205 30.207 11.659 -15.793 1.00 12.17 H new ATOM 0 HZ2 LYS A 205 29.117 12.501 -16.786 1.00 12.17 H new ATOM 0 HZ3 LYS A 205 29.296 12.942 -15.156 1.00 12.17 H new ATOM 3185 N GLY A 206 23.285 12.212 -18.396 1.00 9.66 N ATOM 3186 CA GLY A 206 22.314 12.271 -19.525 1.00 9.94 C ATOM 3187 C GLY A 206 22.559 13.540 -20.344 1.00 9.94 C ATOM 3188 O GLY A 206 21.707 14.401 -20.441 1.00 10.11 O ATOM 0 H GLY A 206 23.988 11.476 -18.466 1.00 9.66 H new ATOM 0 HA2 GLY A 206 22.422 11.390 -20.158 1.00 9.94 H new ATOM 0 HA3 GLY A 206 21.294 12.264 -19.142 1.00 9.94 H new ATOM 3192 N GLN A 207 23.716 13.662 -20.933 1.00 9.98 N ATOM 3193 CA GLN A 207 24.014 14.875 -21.745 1.00 10.21 C ATOM 3194 C GLN A 207 25.225 14.605 -22.641 1.00 10.53 C ATOM 3195 O GLN A 207 26.095 15.439 -22.781 1.00 10.94 O ATOM 3196 CB GLN A 207 24.315 16.052 -20.813 1.00 10.47 C ATOM 3197 CG GLN A 207 24.903 15.531 -19.500 1.00 10.88 C ATOM 3198 CD GLN A 207 26.157 14.705 -19.792 1.00 11.45 C ATOM 3199 OE1 GLN A 207 27.219 15.300 -20.261 1.00 11.84 O flip ATOM 3200 NE2 GLN A 207 26.170 13.507 -19.592 1.00 11.73 N flip ATOM 0 H GLN A 207 24.468 12.974 -20.887 1.00 9.98 H new ATOM 0 HA GLN A 207 23.152 15.118 -22.367 1.00 10.21 H new ATOM 0 HB2 GLN A 207 25.016 16.737 -21.290 1.00 10.47 H new ATOM 0 HB3 GLN A 207 23.403 16.615 -20.616 1.00 10.47 H new ATOM 0 HG2 GLN A 207 25.150 16.366 -18.844 1.00 10.88 H new ATOM 0 HG3 GLN A 207 24.167 14.921 -18.977 1.00 10.88 H new ATOM 0 HE21 GLN A 207 25.339 13.042 -19.225 1.00 11.73 H new ATOM 0 HE22 GLN A 207 27.011 12.966 -19.791 1.00 11.73 H new ATOM 3209 N GLU A 208 25.272 13.440 -23.244 1.00 10.54 N ATOM 3210 CA GLU A 208 26.408 13.065 -24.147 1.00 11.05 C ATOM 3211 C GLU A 208 27.643 12.672 -23.320 1.00 11.07 C ATOM 3212 O GLU A 208 27.953 11.504 -23.189 1.00 11.24 O ATOM 3213 CB GLU A 208 26.746 14.223 -25.098 1.00 11.39 C ATOM 3214 CG GLU A 208 27.554 13.689 -26.282 1.00 11.93 C ATOM 3215 CD GLU A 208 26.660 12.804 -27.153 1.00 12.44 C ATOM 3216 OE1 GLU A 208 25.452 12.956 -27.074 1.00 12.81 O ATOM 3217 OE2 GLU A 208 27.199 11.988 -27.883 1.00 12.61 O ATOM 0 H GLU A 208 24.557 12.719 -23.146 1.00 10.54 H new ATOM 0 HA GLU A 208 26.103 12.206 -24.745 1.00 11.05 H new ATOM 0 HB2 GLU A 208 25.830 14.696 -25.452 1.00 11.39 H new ATOM 0 HB3 GLU A 208 27.316 14.987 -24.570 1.00 11.39 H new ATOM 0 HG2 GLU A 208 27.947 14.518 -26.871 1.00 11.93 H new ATOM 0 HG3 GLU A 208 28.410 13.118 -25.923 1.00 11.93 H new ATOM 3224 N ARG A 209 28.352 13.619 -22.760 1.00 11.11 N ATOM 3225 CA ARG A 209 29.556 13.267 -21.953 1.00 11.35 C ATOM 3226 C ARG A 209 30.275 14.547 -21.516 1.00 11.53 C ATOM 3227 O ARG A 209 30.829 14.616 -20.438 1.00 11.71 O ATOM 3228 CB ARG A 209 30.506 12.414 -22.797 1.00 11.51 C ATOM 3229 CG ARG A 209 30.731 11.067 -22.108 1.00 11.89 C ATOM 3230 CD ARG A 209 31.411 11.292 -20.756 1.00 12.42 C ATOM 3231 NE ARG A 209 31.999 10.010 -20.275 1.00 12.93 N ATOM 3232 CZ ARG A 209 31.930 9.694 -19.011 1.00 13.40 C ATOM 3233 NH1 ARG A 209 32.071 10.616 -18.099 1.00 13.46 N ATOM 3234 NH2 ARG A 209 31.720 8.455 -18.659 1.00 13.97 N ATOM 0 H ARG A 209 28.149 14.616 -22.827 1.00 11.11 H new ATOM 0 HA ARG A 209 29.247 12.705 -21.071 1.00 11.35 H new ATOM 0 HB2 ARG A 209 30.087 12.260 -23.792 1.00 11.51 H new ATOM 0 HB3 ARG A 209 31.457 12.931 -22.928 1.00 11.51 H new ATOM 0 HG2 ARG A 209 29.779 10.555 -21.967 1.00 11.89 H new ATOM 0 HG3 ARG A 209 31.349 10.424 -22.735 1.00 11.89 H new ATOM 0 HD2 ARG A 209 32.190 12.049 -20.850 1.00 12.42 H new ATOM 0 HD3 ARG A 209 30.688 11.667 -20.032 1.00 12.42 H new ATOM 0 HE ARG A 209 32.456 9.379 -20.934 1.00 12.93 H new ATOM 0 HH11 ARG A 209 32.235 11.584 -18.374 1.00 13.46 H new ATOM 0 HH12 ARG A 209 32.017 10.369 -17.111 1.00 13.46 H new ATOM 0 HH21 ARG A 209 31.610 7.734 -19.372 1.00 13.97 H new ATOM 0 HH22 ARG A 209 31.666 8.208 -17.671 1.00 13.97 H new ATOM 3248 N LEU A 210 30.269 15.556 -22.349 1.00 11.68 N ATOM 3249 CA LEU A 210 30.948 16.841 -22.001 1.00 12.08 C ATOM 3250 C LEU A 210 32.469 16.634 -21.954 1.00 12.12 C ATOM 3251 O LEU A 210 33.155 16.845 -22.934 1.00 12.02 O ATOM 3252 CB LEU A 210 30.439 17.359 -20.649 1.00 12.54 C ATOM 3253 CG LEU A 210 29.560 18.590 -20.876 1.00 13.14 C ATOM 3254 CD1 LEU A 210 28.289 18.180 -21.621 1.00 13.50 C ATOM 3255 CD2 LEU A 210 29.183 19.202 -19.525 1.00 13.67 C ATOM 0 H LEU A 210 29.818 15.544 -23.264 1.00 11.68 H new ATOM 0 HA LEU A 210 30.718 17.582 -22.766 1.00 12.08 H new ATOM 0 HB2 LEU A 210 29.870 16.581 -20.140 1.00 12.54 H new ATOM 0 HB3 LEU A 210 31.280 17.613 -20.004 1.00 12.54 H new ATOM 0 HG LEU A 210 30.108 19.323 -21.469 1.00 13.14 H new ATOM 0 HD11 LEU A 210 27.663 19.057 -21.783 1.00 13.50 H new ATOM 0 HD12 LEU A 210 28.556 17.743 -22.583 1.00 13.50 H new ATOM 0 HD13 LEU A 210 27.741 17.447 -21.029 1.00 13.50 H new ATOM 0 HD21 LEU A 210 28.557 20.079 -19.685 1.00 13.67 H new ATOM 0 HD22 LEU A 210 28.635 18.468 -18.933 1.00 13.67 H new ATOM 0 HD23 LEU A 210 30.088 19.495 -18.993 1.00 13.67 H new ATOM 3267 N GLU A 211 33.010 16.225 -20.834 1.00 12.46 N ATOM 3268 CA GLU A 211 34.484 16.017 -20.760 1.00 12.71 C ATOM 3269 C GLU A 211 34.850 15.393 -19.412 1.00 12.99 C ATOM 3270 O GLU A 211 34.924 16.070 -18.406 1.00 13.11 O ATOM 3271 CB GLU A 211 35.195 17.364 -20.907 1.00 13.10 C ATOM 3272 CG GLU A 211 36.360 17.224 -21.888 1.00 13.25 C ATOM 3273 CD GLU A 211 35.854 17.437 -23.316 1.00 13.52 C ATOM 3274 OE1 GLU A 211 35.521 18.565 -23.643 1.00 14.00 O ATOM 3275 OE2 GLU A 211 35.809 16.470 -24.058 1.00 13.40 O ATOM 0 H GLU A 211 32.497 16.028 -19.975 1.00 12.46 H new ATOM 0 HA GLU A 211 34.795 15.349 -21.563 1.00 12.71 H new ATOM 0 HB2 GLU A 211 34.495 18.119 -21.264 1.00 13.10 H new ATOM 0 HB3 GLU A 211 35.561 17.701 -19.937 1.00 13.10 H new ATOM 0 HG2 GLU A 211 37.136 17.953 -21.654 1.00 13.25 H new ATOM 0 HG3 GLU A 211 36.811 16.236 -21.794 1.00 13.25 H new ATOM 3282 N HIS A 212 35.075 14.105 -19.388 1.00 13.28 N ATOM 3283 CA HIS A 212 35.436 13.427 -18.102 1.00 13.73 C ATOM 3284 C HIS A 212 36.600 14.165 -17.433 1.00 14.19 C ATOM 3285 O HIS A 212 36.691 14.228 -16.223 1.00 14.61 O ATOM 3286 CB HIS A 212 35.835 11.964 -18.353 1.00 13.96 C ATOM 3287 CG HIS A 212 36.560 11.830 -19.667 1.00 14.17 C ATOM 3288 ND1 HIS A 212 36.055 11.068 -20.710 1.00 14.47 N ATOM 3289 CD2 HIS A 212 37.745 12.351 -20.125 1.00 14.33 C ATOM 3290 CE1 HIS A 212 36.925 11.152 -21.733 1.00 14.77 C ATOM 3291 NE2 HIS A 212 37.973 11.922 -21.429 1.00 14.70 N ATOM 0 H HIS A 212 35.025 13.492 -20.201 1.00 13.28 H new ATOM 0 HA HIS A 212 34.565 13.447 -17.447 1.00 13.73 H new ATOM 0 HB2 HIS A 212 36.472 11.611 -17.542 1.00 13.96 H new ATOM 0 HB3 HIS A 212 34.945 11.334 -18.356 1.00 13.96 H new ATOM 0 HD2 HIS A 212 38.401 12.996 -19.559 1.00 14.33 H new ATOM 0 HE1 HIS A 212 36.792 10.657 -22.684 1.00 14.77 H new ATOM 0 HE2 HIS A 212 38.770 12.147 -22.025 1.00 14.70 H new ATOM 3299 N HIS A 213 37.489 14.728 -18.205 1.00 14.27 N ATOM 3300 CA HIS A 213 38.640 15.463 -17.602 1.00 14.88 C ATOM 3301 C HIS A 213 39.520 16.046 -18.710 1.00 15.06 C ATOM 3302 O HIS A 213 40.728 16.096 -18.592 1.00 15.24 O ATOM 3303 CB HIS A 213 39.468 14.509 -16.736 1.00 14.86 C ATOM 3304 CG HIS A 213 39.754 13.246 -17.500 1.00 15.65 C ATOM 3305 ND1 HIS A 213 40.708 13.188 -18.503 1.00 16.01 N ATOM 3306 CD2 HIS A 213 39.217 11.985 -17.420 1.00 16.30 C ATOM 3307 CE1 HIS A 213 40.717 11.931 -18.983 1.00 16.82 C ATOM 3308 NE2 HIS A 213 39.827 11.156 -18.357 1.00 17.02 N ATOM 0 H HIS A 213 37.469 14.712 -19.225 1.00 14.27 H new ATOM 0 HA HIS A 213 38.259 16.274 -16.981 1.00 14.88 H new ATOM 0 HB2 HIS A 213 40.403 14.987 -16.443 1.00 14.86 H new ATOM 0 HB3 HIS A 213 38.928 14.275 -15.818 1.00 14.86 H new ATOM 0 HD2 HIS A 213 38.439 11.682 -16.734 1.00 16.30 H new ATOM 0 HE1 HIS A 213 41.365 11.590 -19.777 1.00 16.82 H new ATOM 0 HE2 HIS A 213 39.636 10.169 -18.529 1.00 17.02 H new ATOM 3316 N HIS A 214 38.923 16.490 -19.785 1.00 15.17 N ATOM 3317 CA HIS A 214 39.723 17.073 -20.900 1.00 15.52 C ATOM 3318 C HIS A 214 40.600 15.990 -21.533 1.00 15.54 C ATOM 3319 O HIS A 214 41.305 15.270 -20.855 1.00 15.58 O ATOM 3320 CB HIS A 214 40.610 18.195 -20.359 1.00 15.95 C ATOM 3321 CG HIS A 214 40.337 19.462 -21.122 1.00 16.07 C ATOM 3322 ND1 HIS A 214 40.004 19.456 -22.468 1.00 16.23 N ATOM 3323 CD2 HIS A 214 40.342 20.782 -20.743 1.00 16.23 C ATOM 3324 CE1 HIS A 214 39.824 20.735 -22.846 1.00 16.48 C ATOM 3325 NE2 HIS A 214 40.017 21.584 -21.833 1.00 16.49 N ATOM 0 H HIS A 214 37.915 16.474 -19.938 1.00 15.17 H new ATOM 0 HA HIS A 214 39.046 17.473 -21.655 1.00 15.52 H new ATOM 0 HB2 HIS A 214 40.415 18.348 -19.298 1.00 15.95 H new ATOM 0 HB3 HIS A 214 41.661 17.920 -20.453 1.00 15.95 H new ATOM 0 HD2 HIS A 214 40.564 21.143 -19.750 1.00 16.23 H new ATOM 0 HE1 HIS A 214 39.556 21.038 -23.847 1.00 16.48 H new ATOM 0 HE2 HIS A 214 39.942 22.601 -21.854 1.00 16.49 H new ATOM 3333 N HIS A 215 40.563 15.871 -22.832 1.00 15.65 N ATOM 3334 CA HIS A 215 41.396 14.838 -23.510 1.00 15.84 C ATOM 3335 C HIS A 215 42.822 15.368 -23.679 1.00 16.23 C ATOM 3336 O HIS A 215 43.777 14.617 -23.691 1.00 16.63 O ATOM 3337 CB HIS A 215 40.802 14.525 -24.885 1.00 16.03 C ATOM 3338 CG HIS A 215 39.324 14.285 -24.751 1.00 15.95 C ATOM 3339 ND1 HIS A 215 38.766 13.728 -23.611 1.00 15.89 N ATOM 3340 CD2 HIS A 215 38.275 14.520 -25.605 1.00 16.12 C ATOM 3341 CE1 HIS A 215 37.437 13.647 -23.808 1.00 16.01 C ATOM 3342 NE2 HIS A 215 37.085 14.116 -25.007 1.00 16.15 N ATOM 0 H HIS A 215 39.992 16.444 -23.453 1.00 15.65 H new ATOM 0 HA HIS A 215 41.413 13.930 -22.907 1.00 15.84 H new ATOM 0 HB2 HIS A 215 40.986 15.353 -25.569 1.00 16.03 H new ATOM 0 HB3 HIS A 215 41.287 13.646 -25.311 1.00 16.03 H new ATOM 0 HD2 HIS A 215 38.360 14.953 -26.591 1.00 16.12 H new ATOM 0 HE1 HIS A 215 36.740 13.251 -23.084 1.00 16.01 H new ATOM 0 HE2 HIS A 215 36.145 14.167 -25.401 1.00 16.15 H new ATOM 3350 N HIS A 216 42.973 16.659 -23.811 1.00 16.26 N ATOM 3351 CA HIS A 216 44.336 17.238 -23.979 1.00 16.79 C ATOM 3352 C HIS A 216 44.874 17.687 -22.617 1.00 17.11 C ATOM 3353 O HIS A 216 46.067 17.707 -22.389 1.00 17.24 O ATOM 3354 CB HIS A 216 44.264 18.443 -24.920 1.00 16.87 C ATOM 3355 CG HIS A 216 44.192 19.709 -24.112 1.00 17.03 C ATOM 3356 ND1 HIS A 216 43.196 20.246 -23.334 1.00 17.12 N flip ATOM 3357 CD2 HIS A 216 45.250 20.602 -24.042 1.00 17.28 C flip ATOM 3358 CE1 HIS A 216 43.626 21.453 -22.789 1.00 17.41 C flip ATOM 3359 NE2 HIS A 216 44.870 21.620 -23.247 1.00 17.52 N flip ATOM 0 H HIS A 216 42.211 17.337 -23.810 1.00 16.26 H new ATOM 0 HA HIS A 216 45.001 16.484 -24.401 1.00 16.79 H new ATOM 0 HB2 HIS A 216 45.139 18.463 -25.569 1.00 16.87 H new ATOM 0 HB3 HIS A 216 43.390 18.361 -25.566 1.00 16.87 H new ATOM 0 HD1 HIS A 216 42.280 19.825 -23.179 1.00 17.12 H new ATOM 0 HD2 HIS A 216 46.205 20.500 -24.535 1.00 17.28 H new ATOM 0 HE1 HIS A 216 43.073 22.112 -22.136 1.00 17.41 H new ATOM 3367 N HIS A 217 44.005 18.049 -21.712 1.00 17.37 N ATOM 3368 CA HIS A 217 44.470 18.497 -20.369 1.00 17.85 C ATOM 3369 C HIS A 217 45.305 19.770 -20.516 1.00 18.04 C ATOM 3370 O HIS A 217 44.746 20.843 -20.362 1.00 18.21 O ATOM 3371 CB HIS A 217 45.323 17.399 -19.730 1.00 17.99 C ATOM 3372 CG HIS A 217 44.667 16.064 -19.949 1.00 18.30 C ATOM 3373 ND1 HIS A 217 44.972 15.259 -21.036 1.00 18.89 N ATOM 3374 CD2 HIS A 217 43.720 15.378 -19.230 1.00 18.26 C ATOM 3375 CE1 HIS A 217 44.222 14.147 -20.941 1.00 19.16 C ATOM 3376 NE2 HIS A 217 43.440 14.168 -19.858 1.00 18.81 N ATOM 3377 OXT HIS A 217 46.490 19.651 -20.781 1.00 18.15 O ATOM 0 H HIS A 217 42.994 18.054 -21.845 1.00 17.37 H new ATOM 0 HA HIS A 217 43.606 18.700 -19.736 1.00 17.85 H new ATOM 0 HB2 HIS A 217 46.323 17.401 -20.165 1.00 17.99 H new ATOM 0 HB3 HIS A 217 45.439 17.589 -18.663 1.00 17.99 H new ATOM 0 HD2 HIS A 217 43.262 15.725 -18.316 1.00 18.26 H new ATOM 0 HE1 HIS A 217 44.249 13.336 -21.653 1.00 19.16 H new ATOM 0 HE2 HIS A 217 42.780 13.451 -19.556 1.00 18.81 H new TER 3385 HIS A 217 END