USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1076 hydrogens (30 hets) HEADER HEME PROTEIN 25-MAR-99 1VRF TITLE SOLUTION STRUCTURE OF COMPONENT IV GLYCERA DIBRANCHIATA TITLE 2 MONOMERIC HEMOGLOBIN-CO COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (GLOBIN, MONOMERIC COMPONENT M-IV); COMPND 3 CHAIN: A; COMPND 4 SYNONYM: GHM4; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GLYCERA DIBRANCHIATA; SOURCE 3 ORGANISM_TAXID: 6350; SOURCE 4 TISSUE: BLOOD; SOURCE 5 CELL: ERYTHROCYTE; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET9D; SOURCE 0 OTHER_DETAILS: RECOMBINANT PROTEIN WAS PRODUCED IN E. COLI KEYWDS HEME PROTEIN, GLOBIN, OXYGEN TRANSPORT EXPDTA SOLUTION NMR AUTHOR B.F.VOLKMAN,S.L.ALAM,J.D.SATTERLEE,J.L.MARKLEY REVDAT 3 24-FEB-09 1VRF 1 VERSN REVDAT 2 30-APR-99 1VRF 3 ATOM REVDAT 1 01-APR-99 1VRF 0 JRNL AUTH B.F.VOLKMAN,S.L.ALAM,J.D.SATTERLEE,J.L.MARKLEY JRNL TITL SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF JRNL TITL 2 COMPONENT IV GLYCERA DIBRANCHIATA MONOMERIC JRNL TITL 3 HEMOGLOBIN-CO. JRNL REF BIOCHEMISTRY V. 37 10906 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9692983 JRNL DOI 10.1021/BI980810B REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.L.ALAM,B.F.VOLKMAN,J.L.MARKLEY,J.D.SATTERLEE REMARK 1 TITL DETAILED NMR ANALYSIS OF THE HEME-PROTEIN REMARK 1 TITL 2 INTERACTIONS IN COMPONENT IV GLYCERA DIBRANCHIATA REMARK 1 TITL 3 MONOMERIC HEMOGLOBIN-CO REMARK 1 REF J.BIOMOL.NMR V. 11 19 1998 REMARK 1 REFN ISSN 0925-2738 REMARK 1 DOI 10.1023/A:1008202621725 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINED ITERATIVELY WITH X-PLOR AND REMARK 3 PERL SCRIPTS WRITTEN IN-HOUSE AS DESCRIBED IN JRNL CITATION REMARK 3 ABOVE REMARK 4 REMARK 4 1VRF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-MAR-99. REMARK 100 THE RCSB ID CODE IS RCSB000720. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : 100 MM KCL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOEY & QUANTITATIVE J- REMARK 210 CORRELATION REMARK 210 SPECTROMETER FIELD STRENGTH : 499.84 MHZ, 500.13 MHZ, REMARK 210 600.13 MHZ, 750.13 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.843 REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY/ REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: 3D 15N NOESY-HSQC; 3D 13C NOESY-HSQC; 4D 13C/15N NOESY- REMARK 210 HSQC; 3D HNHB; 3D HNCOHB; 2D JCC; 2D JNC; 3D HNHA; 2D LRCC 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 ASP A 16 -50.29 -120.67 REMARK 500 SER A 36 -70.97 -64.07 REMARK 500 SER A 71 31.04 -89.91 REMARK 500 HIS A 72 -43.27 -159.53 REMARK 500 LEU A 73 -88.76 42.87 REMARK 500 ASP A 75 89.82 -64.67 REMARK 500 HIS A 97 -93.89 -128.39 REMARK 500 ILE A 98 134.20 61.48 REMARK 500 ILE A 118 53.38 -91.97 REMARK 500 MET A 122 94.09 -64.09 REMARK 500 GLN A 146 81.33 57.14 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 7 0.19 SIDE_CHAIN REMARK 500 ARG A 89 0.22 SIDE_CHAIN REMARK 500 ARG A 117 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 148 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 90 NE2 REMARK 620 2 CMO A 149 C 179.9 REMARK 620 3 CMO A 149 O 179.9 0.0 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: LIG REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: HIS A 90 NE2-HEME FE COORDINATE-COVALENT BOND REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 148 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CMO A 149 DBREF 1VRF A 1 147 UNP P15447 GLB4_GLYDI 1 147 SEQRES 1 A 147 GLY LEU SER ALA ALA GLN ARG GLN VAL VAL ALA SER THR SEQRES 2 A 147 TRP LYS ASP ILE ALA GLY SER ASP ASN GLY ALA GLY VAL SEQRES 3 A 147 GLY LYS GLU CYS PHE THR LYS PHE LEU SER ALA HIS HIS SEQRES 4 A 147 ASP MET ALA ALA VAL PHE GLY PHE SER GLY ALA SER ASP SEQRES 5 A 147 PRO GLY VAL ALA ASP LEU GLY ALA LYS VAL LEU ALA GLN SEQRES 6 A 147 ILE GLY VAL ALA VAL SER HIS LEU GLY ASP GLU GLY LYS SEQRES 7 A 147 MET VAL ALA GLU MET LYS ALA VAL GLY VAL ARG HIS LYS SEQRES 8 A 147 GLY TYR GLY ASN LYS HIS ILE LYS ALA GLU TYR PHE GLU SEQRES 9 A 147 PRO LEU GLY ALA SER LEU LEU SER ALA MET GLU HIS ARG SEQRES 10 A 147 ILE GLY GLY LYS MET ASN ALA ALA ALA LYS ASP ALA TRP SEQRES 11 A 147 ALA ALA ALA TYR ALA ASP ILE SER GLY ALA LEU ILE SER SEQRES 12 A 147 GLY LEU GLN SER HET HEM A 148 73 HET CMO A 149 2 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM CMO CARBON MONOXIDE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 CMO C O HELIX 1 1 ALA A 4 ILE A 17 1 14 HELIX 2 2 ALA A 24 GLY A 27 1 4 HELIX 3 3 CYS A 30 ALA A 37 1 8 HELIX 4 4 HIS A 39 PHE A 45 1 7 HELIX 5 5 GLY A 54 VAL A 70 1 17 HELIX 6 6 MET A 79 GLY A 92 1 14 HELIX 7 7 ALA A 100 ARG A 117 1 18 HELIX 8 8 ALA A 124 ILE A 142 1 19 LINK NE2 HIS A 90 FE HEM A 148 1555 1555 2.20 LINK FE HEM A 148 C CMO A 149 1555 1555 1.90 LINK FE HEM A 148 O CMO A 149 1555 1555 3.03 SITE *** LIG 1 HIS A 90 SITE *** AC1 12 PHE A 34 MET A 41 VAL A 44 PHE A 45 SITE *** AC1 12 LEU A 58 VAL A 62 HIS A 90 TYR A 93 SITE *** AC1 12 TYR A 102 PHE A 103 LEU A 141 CMO A 149 SITE *** AC2 4 PHE A 31 PHE A 45 VAL A 62 HEM A 148 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 148 HEMFE :(H bumps) USER MOD Set 1.1: A 41 MET CE :methyl -156:sc= -6.2! (180deg=-4.55!) USER MOD Set 1.2: A 148 HEM CMB :methyl 150:sc= -8.06! (180deg=-4.22!) USER MOD Set 2.1: A 114 MET CE :methyl -113:sc= -8.99! (180deg=-12.1!) USER MOD Set 2.2: A 134 TYR OH : rot -115:sc= -7.04! USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.087 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -1.19 USER MOD Single : A 6 GLN : amide:sc= -0.792 K(o=-0.79,f=-5.7!) USER MOD Single : A 8 GLN : amide:sc= -0.0832 K(o=-0.083,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 122:sc= 0.434 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00923 USER MOD Single : A 22 ASN : amide:sc= -4.77! C(o=-4.8!,f=-5.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -110:sc= -4 USER MOD Single : A 32 THR OG1 : rot -97:sc= -3.05! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -92:sc= -2.77! USER MOD Single : A 38 HIS :FLIP no HD1:sc= -3.83 F(o=-8.9!,f=-3.8) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.144 F(o=-0.8,f=-0.14) USER MOD Single : A 48 SER OG : rot -42:sc= 0.529 USER MOD Single : A 51 SER OG : rot -38:sc= 0.94 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.64 F(o=-1.2,f=-0.64) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-5.9!) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.0342 (180deg=0.0325) USER MOD Single : A 79 MET CE :methyl -104:sc= -2.66! (180deg=-8.1!) USER MOD Single : A 83 MET CE :methyl -167:sc= -5.4! (180deg=-5.48!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 30:sc= -1.87 USER MOD Single : A 95 ASN :FLIP amide:sc= -13! C(o=-14!,f=-13!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HE2:sc= -0.0304 F(o=-0.75,f=-0.03) USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -1.91! (180deg=-2.91!) USER MOD Single : A 102 TYR OH : rot -78:sc= 1.23 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-4.2!) USER MOD Single : A 121 LYS NZ :NH3+ 152:sc= 0.148 (180deg=0.0399) USER MOD Single : A 122 MET CE :methyl 176:sc= -1.99 (180deg=-2.07) USER MOD Single : A 123 ASN : amide:sc= -2.67! C(o=-2.7!,f=-7.7!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 102:sc= 1.2 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= -19.1! C(o=-21!,f=-19!) USER MOD Single : A 147 SER OG : rot 171:sc= -2.61! USER MOD Single : A 148 HEM CMA :methyl -30:sc= -9.22! (180deg=-9.32!) USER MOD Single : A 148 HEM CMC :methyl -30:sc= -11.7! (180deg=-13!) USER MOD Single : A 148 HEM CMD :methyl 150:sc= -0.0709 (180deg=-0.0709) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.949 7.838 11.241 1.00 2.42 N ATOM 2 CA GLY A 1 11.431 7.879 9.844 1.00 2.11 C ATOM 3 C GLY A 1 12.251 6.924 8.975 1.00 1.61 C ATOM 4 O GLY A 1 12.908 6.029 9.468 1.00 1.87 O ATOM 0 H1 GLY A 1 11.162 7.661 11.898 1.00 2.42 H new ATOM 0 H2 GLY A 1 12.652 7.076 11.329 1.00 2.42 H new ATOM 0 H3 GLY A 1 12.395 8.749 11.473 1.00 2.42 H new ATOM 0 HA2 GLY A 1 10.379 7.594 9.825 1.00 2.11 H new ATOM 0 HA3 GLY A 1 11.494 8.893 9.450 1.00 2.11 H new ATOM 8 N LEU A 2 12.219 7.106 7.683 1.00 1.57 N ATOM 9 CA LEU A 2 12.998 6.207 6.784 1.00 1.10 C ATOM 10 C LEU A 2 14.492 6.506 6.928 1.00 1.13 C ATOM 11 O LEU A 2 14.895 7.641 7.087 1.00 1.48 O ATOM 12 CB LEU A 2 12.513 6.531 5.370 1.00 1.00 C ATOM 13 CG LEU A 2 11.307 5.654 5.029 1.00 0.90 C ATOM 14 CD1 LEU A 2 11.705 4.180 5.109 1.00 1.33 C ATOM 15 CD2 LEU A 2 10.179 5.932 6.025 1.00 1.44 C ATOM 0 H LEU A 2 11.688 7.838 7.211 1.00 1.57 H new ATOM 0 HA LEU A 2 12.855 5.153 7.021 1.00 1.10 H new ATOM 0 HB2 LEU A 2 12.241 7.584 5.300 1.00 1.00 H new ATOM 0 HB3 LEU A 2 13.315 6.360 4.651 1.00 1.00 H new ATOM 0 HG LEU A 2 10.967 5.882 4.019 1.00 0.90 H new ATOM 0 HD11 LEU A 2 10.844 3.557 4.866 1.00 1.33 H new ATOM 0 HD12 LEU A 2 12.509 3.981 4.400 1.00 1.33 H new ATOM 0 HD13 LEU A 2 12.046 3.949 6.118 1.00 1.33 H new ATOM 0 HD21 LEU A 2 9.319 5.308 5.784 1.00 1.44 H new ATOM 0 HD22 LEU A 2 10.521 5.704 7.035 1.00 1.44 H new ATOM 0 HD23 LEU A 2 9.893 6.982 5.967 1.00 1.44 H new ATOM 27 N SER A 3 15.316 5.496 6.873 1.00 0.89 N ATOM 28 CA SER A 3 16.784 5.723 7.007 1.00 1.04 C ATOM 29 C SER A 3 17.455 5.573 5.640 1.00 0.86 C ATOM 30 O SER A 3 16.836 5.171 4.674 1.00 0.85 O ATOM 31 CB SER A 3 17.272 4.642 7.972 1.00 1.32 C ATOM 32 OG SER A 3 16.447 3.491 7.845 1.00 1.40 O ATOM 0 H SER A 3 15.037 4.524 6.741 1.00 0.89 H new ATOM 0 HA SER A 3 17.020 6.722 7.374 1.00 1.04 H new ATOM 0 HB2 SER A 3 18.309 4.386 7.755 1.00 1.32 H new ATOM 0 HB3 SER A 3 17.243 5.013 8.997 1.00 1.32 H new ATOM 0 HG SER A 3 16.759 2.796 8.461 1.00 1.40 H new ATOM 38 N ALA A 4 18.716 5.893 5.551 1.00 0.96 N ATOM 39 CA ALA A 4 19.427 5.770 4.246 1.00 0.89 C ATOM 40 C ALA A 4 19.482 4.299 3.827 1.00 0.78 C ATOM 41 O ALA A 4 19.496 3.977 2.655 1.00 0.94 O ATOM 42 CB ALA A 4 20.833 6.315 4.500 1.00 1.02 C ATOM 0 H ALA A 4 19.286 6.234 6.325 1.00 0.96 H new ATOM 0 HA ALA A 4 18.928 6.315 3.445 1.00 0.89 H new ATOM 0 HB1 ALA A 4 21.417 6.257 3.582 1.00 1.02 H new ATOM 0 HB2 ALA A 4 20.768 7.354 4.823 1.00 1.02 H new ATOM 0 HB3 ALA A 4 21.318 5.723 5.277 1.00 1.02 H new ATOM 48 N ALA A 5 19.512 3.402 4.775 1.00 0.76 N ATOM 49 CA ALA A 5 19.565 1.953 4.429 1.00 0.69 C ATOM 50 C ALA A 5 18.158 1.451 4.103 1.00 0.59 C ATOM 51 O ALA A 5 17.935 0.814 3.092 1.00 0.58 O ATOM 52 CB ALA A 5 20.111 1.261 5.679 1.00 0.80 C ATOM 0 H ALA A 5 19.502 3.610 5.774 1.00 0.76 H new ATOM 0 HA ALA A 5 20.189 1.754 3.558 1.00 0.69 H new ATOM 0 HB1 ALA A 5 20.179 0.188 5.500 1.00 0.80 H new ATOM 0 HB2 ALA A 5 21.101 1.654 5.909 1.00 0.80 H new ATOM 0 HB3 ALA A 5 19.442 1.447 6.519 1.00 0.80 H new ATOM 58 N GLN A 6 17.204 1.732 4.948 1.00 0.59 N ATOM 59 CA GLN A 6 15.813 1.270 4.679 1.00 0.52 C ATOM 60 C GLN A 6 15.376 1.756 3.296 1.00 0.47 C ATOM 61 O GLN A 6 14.911 0.989 2.477 1.00 0.44 O ATOM 62 CB GLN A 6 14.957 1.905 5.775 1.00 0.59 C ATOM 63 CG GLN A 6 14.933 0.989 7.000 1.00 0.65 C ATOM 64 CD GLN A 6 13.949 1.530 8.038 1.00 0.81 C ATOM 65 OE1 GLN A 6 13.095 2.335 7.722 1.00 1.58 O ATOM 66 NE2 GLN A 6 14.032 1.120 9.274 1.00 0.92 N ATOM 0 H GLN A 6 17.327 2.261 5.812 1.00 0.59 H new ATOM 0 HA GLN A 6 15.722 0.184 4.686 1.00 0.52 H new ATOM 0 HB2 GLN A 6 15.360 2.881 6.046 1.00 0.59 H new ATOM 0 HB3 GLN A 6 13.943 2.068 5.410 1.00 0.59 H new ATOM 0 HG2 GLN A 6 14.645 -0.020 6.704 1.00 0.65 H new ATOM 0 HG3 GLN A 6 15.931 0.921 7.433 1.00 0.65 H new ATOM 0 HE21 GLN A 6 14.748 0.444 9.540 1.00 0.92 H new ATOM 0 HE22 GLN A 6 13.381 1.475 9.974 1.00 0.92 H new ATOM 75 N ARG A 7 15.528 3.025 3.027 1.00 0.54 N ATOM 76 CA ARG A 7 15.126 3.556 1.693 1.00 0.58 C ATOM 77 C ARG A 7 15.744 2.687 0.596 1.00 0.54 C ATOM 78 O ARG A 7 15.140 2.438 -0.429 1.00 0.61 O ATOM 79 CB ARG A 7 15.687 4.979 1.641 1.00 0.71 C ATOM 80 CG ARG A 7 15.130 5.704 0.415 1.00 1.29 C ATOM 81 CD ARG A 7 16.252 6.492 -0.265 1.00 1.41 C ATOM 82 NE ARG A 7 17.214 5.468 -0.759 1.00 0.88 N ATOM 83 CZ ARG A 7 18.353 5.839 -1.277 1.00 1.14 C ATOM 84 NH1 ARG A 7 19.005 6.847 -0.767 1.00 1.60 N ATOM 85 NH2 ARG A 7 18.841 5.200 -2.305 1.00 1.82 N ATOM 0 H ARG A 7 15.912 3.715 3.672 1.00 0.54 H new ATOM 0 HA ARG A 7 14.046 3.550 1.544 1.00 0.58 H new ATOM 0 HB2 ARG A 7 15.420 5.520 2.549 1.00 0.71 H new ATOM 0 HB3 ARG A 7 16.776 4.950 1.596 1.00 0.71 H new ATOM 0 HG2 ARG A 7 14.702 4.984 -0.283 1.00 1.29 H new ATOM 0 HG3 ARG A 7 14.326 6.378 0.712 1.00 1.29 H new ATOM 0 HD2 ARG A 7 15.866 7.096 -1.086 1.00 1.41 H new ATOM 0 HD3 ARG A 7 16.732 7.176 0.435 1.00 1.41 H new ATOM 0 HE ARG A 7 16.983 4.477 -0.692 1.00 0.88 H new ATOM 0 HH11 ARG A 7 18.625 7.346 0.037 1.00 1.60 H new ATOM 0 HH12 ARG A 7 19.895 7.136 -1.172 1.00 1.60 H new ATOM 0 HH21 ARG A 7 18.332 4.411 -2.703 1.00 1.82 H new ATOM 0 HH22 ARG A 7 19.731 5.490 -2.710 1.00 1.82 H new ATOM 99 N GLN A 8 16.945 2.222 0.806 1.00 0.52 N ATOM 100 CA GLN A 8 17.605 1.366 -0.218 1.00 0.52 C ATOM 101 C GLN A 8 17.060 -0.061 -0.114 1.00 0.43 C ATOM 102 O GLN A 8 16.765 -0.698 -1.105 1.00 0.48 O ATOM 103 CB GLN A 8 19.095 1.408 0.125 1.00 0.56 C ATOM 104 CG GLN A 8 19.848 0.392 -0.736 1.00 1.09 C ATOM 105 CD GLN A 8 19.793 0.810 -2.207 1.00 1.12 C ATOM 106 OE1 GLN A 8 19.636 1.975 -2.514 1.00 1.71 O ATOM 107 NE2 GLN A 8 19.917 -0.099 -3.136 1.00 1.52 N ATOM 0 H GLN A 8 17.498 2.399 1.645 1.00 0.52 H new ATOM 0 HA GLN A 8 17.423 1.709 -1.237 1.00 0.52 H new ATOM 0 HB2 GLN A 8 19.490 2.409 -0.047 1.00 0.56 H new ATOM 0 HB3 GLN A 8 19.242 1.184 1.182 1.00 0.56 H new ATOM 0 HG2 GLN A 8 20.885 0.322 -0.408 1.00 1.09 H new ATOM 0 HG3 GLN A 8 19.408 -0.598 -0.614 1.00 1.09 H new ATOM 0 HE21 GLN A 8 20.049 -1.077 -2.878 1.00 1.52 H new ATOM 0 HE22 GLN A 8 19.882 0.169 -4.120 1.00 1.52 H new ATOM 116 N VAL A 9 16.920 -0.565 1.083 1.00 0.37 N ATOM 117 CA VAL A 9 16.389 -1.948 1.256 1.00 0.31 C ATOM 118 C VAL A 9 14.975 -2.025 0.675 1.00 0.27 C ATOM 119 O VAL A 9 14.470 -3.091 0.381 1.00 0.27 O ATOM 120 CB VAL A 9 16.372 -2.191 2.769 1.00 0.32 C ATOM 121 CG1 VAL A 9 16.058 -3.663 3.050 1.00 0.33 C ATOM 122 CG2 VAL A 9 17.741 -1.844 3.361 1.00 0.38 C ATOM 0 H VAL A 9 17.151 -0.078 1.949 1.00 0.37 H new ATOM 0 HA VAL A 9 16.993 -2.697 0.743 1.00 0.31 H new ATOM 0 HB VAL A 9 15.607 -1.562 3.225 1.00 0.32 H new ATOM 0 HG11 VAL A 9 16.046 -3.833 4.127 1.00 0.33 H new ATOM 0 HG12 VAL A 9 15.083 -3.913 2.633 1.00 0.33 H new ATOM 0 HG13 VAL A 9 16.821 -4.292 2.591 1.00 0.33 H new ATOM 0 HG21 VAL A 9 17.727 -2.018 4.437 1.00 0.38 H new ATOM 0 HG22 VAL A 9 18.505 -2.471 2.902 1.00 0.38 H new ATOM 0 HG23 VAL A 9 17.967 -0.796 3.166 1.00 0.38 H new ATOM 132 N VAL A 10 14.333 -0.901 0.503 1.00 0.29 N ATOM 133 CA VAL A 10 12.955 -0.906 -0.063 1.00 0.27 C ATOM 134 C VAL A 10 13.023 -1.166 -1.569 1.00 0.27 C ATOM 135 O VAL A 10 12.344 -2.027 -2.093 1.00 0.30 O ATOM 136 CB VAL A 10 12.399 0.490 0.221 1.00 0.35 C ATOM 137 CG1 VAL A 10 10.978 0.598 -0.332 1.00 0.35 C ATOM 138 CG2 VAL A 10 12.378 0.733 1.732 1.00 0.39 C ATOM 0 H VAL A 10 14.705 0.021 0.731 1.00 0.29 H new ATOM 0 HA VAL A 10 12.325 -1.682 0.372 1.00 0.27 H new ATOM 0 HB VAL A 10 13.032 1.236 -0.259 1.00 0.35 H new ATOM 0 HG11 VAL A 10 10.583 1.593 -0.129 1.00 0.35 H new ATOM 0 HG12 VAL A 10 10.992 0.426 -1.408 1.00 0.35 H new ATOM 0 HG13 VAL A 10 10.344 -0.148 0.146 1.00 0.35 H new ATOM 0 HG21 VAL A 10 11.982 1.728 1.935 1.00 0.39 H new ATOM 0 HG22 VAL A 10 11.746 -0.014 2.212 1.00 0.39 H new ATOM 0 HG23 VAL A 10 13.391 0.659 2.127 1.00 0.39 H new ATOM 148 N ALA A 11 13.841 -0.429 -2.269 1.00 0.32 N ATOM 149 CA ALA A 11 13.958 -0.632 -3.741 1.00 0.36 C ATOM 150 C ALA A 11 14.596 -1.996 -4.028 1.00 0.34 C ATOM 151 O ALA A 11 14.554 -2.489 -5.137 1.00 0.40 O ATOM 152 CB ALA A 11 14.861 0.501 -4.232 1.00 0.44 C ATOM 0 H ALA A 11 14.434 0.306 -1.885 1.00 0.32 H new ATOM 0 HA ALA A 11 12.990 -0.618 -4.241 1.00 0.36 H new ATOM 0 HB1 ALA A 11 14.994 0.418 -5.311 1.00 0.44 H new ATOM 0 HB2 ALA A 11 14.402 1.461 -3.996 1.00 0.44 H new ATOM 0 HB3 ALA A 11 15.831 0.432 -3.740 1.00 0.44 H new ATOM 158 N SER A 12 15.189 -2.608 -3.038 1.00 0.30 N ATOM 159 CA SER A 12 15.829 -3.935 -3.259 1.00 0.31 C ATOM 160 C SER A 12 14.786 -5.046 -3.110 1.00 0.28 C ATOM 161 O SER A 12 14.924 -6.118 -3.666 1.00 0.34 O ATOM 162 CB SER A 12 16.899 -4.049 -2.173 1.00 0.33 C ATOM 163 OG SER A 12 18.180 -3.845 -2.752 1.00 1.22 O ATOM 0 H SER A 12 15.257 -2.246 -2.087 1.00 0.30 H new ATOM 0 HA SER A 12 16.258 -4.030 -4.257 1.00 0.31 H new ATOM 0 HB2 SER A 12 16.719 -3.312 -1.391 1.00 0.33 H new ATOM 0 HB3 SER A 12 16.852 -5.031 -1.702 1.00 0.33 H new ATOM 0 HG SER A 12 18.868 -3.916 -2.058 1.00 1.22 H new ATOM 169 N THR A 13 13.746 -4.801 -2.361 1.00 0.23 N ATOM 170 CA THR A 13 12.699 -5.847 -2.176 1.00 0.23 C ATOM 171 C THR A 13 11.534 -5.595 -3.136 1.00 0.22 C ATOM 172 O THR A 13 10.707 -6.456 -3.358 1.00 0.24 O ATOM 173 CB THR A 13 12.244 -5.709 -0.721 1.00 0.24 C ATOM 174 OG1 THR A 13 11.939 -4.347 -0.449 1.00 0.25 O ATOM 175 CG2 THR A 13 13.359 -6.182 0.212 1.00 0.26 C ATOM 0 H THR A 13 13.576 -3.924 -1.870 1.00 0.23 H new ATOM 0 HA THR A 13 13.073 -6.849 -2.385 1.00 0.23 H new ATOM 0 HB THR A 13 11.356 -6.320 -0.558 1.00 0.24 H new ATOM 0 HG1 THR A 13 11.009 -4.274 -0.148 1.00 0.25 H new ATOM 0 HG21 THR A 13 13.033 -6.083 1.248 1.00 0.26 H new ATOM 0 HG22 THR A 13 13.590 -7.226 0.003 1.00 0.26 H new ATOM 0 HG23 THR A 13 14.250 -5.574 0.052 1.00 0.26 H new ATOM 183 N TRP A 14 11.458 -4.424 -3.708 1.00 0.21 N ATOM 184 CA TRP A 14 10.341 -4.134 -4.651 1.00 0.20 C ATOM 185 C TRP A 14 10.745 -4.547 -6.066 1.00 0.23 C ATOM 186 O TRP A 14 9.911 -4.753 -6.925 1.00 0.27 O ATOM 187 CB TRP A 14 10.113 -2.624 -4.564 1.00 0.21 C ATOM 188 CG TRP A 14 8.649 -2.358 -4.422 1.00 0.21 C ATOM 189 CD1 TRP A 14 8.005 -2.155 -3.250 1.00 0.22 C ATOM 190 CD2 TRP A 14 7.638 -2.272 -5.465 1.00 0.20 C ATOM 191 NE1 TRP A 14 6.662 -1.950 -3.508 1.00 0.24 N ATOM 192 CE2 TRP A 14 6.386 -2.012 -4.860 1.00 0.22 C ATOM 193 CE3 TRP A 14 7.685 -2.392 -6.865 1.00 0.21 C ATOM 194 CZ2 TRP A 14 5.222 -1.878 -5.618 1.00 0.24 C ATOM 195 CZ3 TRP A 14 6.515 -2.257 -7.630 1.00 0.22 C ATOM 196 CH2 TRP A 14 5.286 -2.002 -7.007 1.00 0.23 C ATOM 0 H TRP A 14 12.118 -3.659 -3.564 1.00 0.21 H new ATOM 0 HA TRP A 14 9.433 -4.683 -4.403 1.00 0.20 H new ATOM 0 HB2 TRP A 14 10.655 -2.210 -3.713 1.00 0.21 H new ATOM 0 HB3 TRP A 14 10.500 -2.133 -5.457 1.00 0.21 H new ATOM 0 HD1 TRP A 14 8.464 -2.153 -2.273 1.00 0.22 H new ATOM 0 HE1 TRP A 14 5.961 -1.774 -2.788 1.00 0.24 H new ATOM 0 HE3 TRP A 14 8.627 -2.589 -7.355 1.00 0.21 H new ATOM 0 HZ2 TRP A 14 4.278 -1.680 -5.133 1.00 0.24 H new ATOM 0 HZ3 TRP A 14 6.563 -2.350 -8.705 1.00 0.22 H new ATOM 0 HH2 TRP A 14 4.389 -1.902 -7.601 1.00 0.23 H new ATOM 207 N LYS A 15 12.019 -4.676 -6.316 1.00 0.24 N ATOM 208 CA LYS A 15 12.471 -5.084 -7.674 1.00 0.27 C ATOM 209 C LYS A 15 12.362 -6.606 -7.823 1.00 0.28 C ATOM 210 O LYS A 15 12.750 -7.166 -8.828 1.00 0.36 O ATOM 211 CB LYS A 15 13.930 -4.635 -7.764 1.00 0.30 C ATOM 212 CG LYS A 15 13.988 -3.116 -7.933 1.00 0.34 C ATOM 213 CD LYS A 15 15.447 -2.668 -8.022 1.00 0.40 C ATOM 214 CE LYS A 15 15.508 -1.220 -8.512 1.00 0.86 C ATOM 215 NZ LYS A 15 16.703 -0.644 -7.836 1.00 1.43 N ATOM 0 H LYS A 15 12.765 -4.517 -5.639 1.00 0.24 H new ATOM 0 HA LYS A 15 11.866 -4.640 -8.464 1.00 0.27 H new ATOM 0 HB2 LYS A 15 14.469 -4.932 -6.864 1.00 0.30 H new ATOM 0 HB3 LYS A 15 14.421 -5.124 -8.606 1.00 0.30 H new ATOM 0 HG2 LYS A 15 13.450 -2.819 -8.833 1.00 0.34 H new ATOM 0 HG3 LYS A 15 13.497 -2.627 -7.092 1.00 0.34 H new ATOM 0 HD2 LYS A 15 15.925 -2.753 -7.046 1.00 0.40 H new ATOM 0 HD3 LYS A 15 15.997 -3.317 -8.704 1.00 0.40 H new ATOM 0 HE2 LYS A 15 15.605 -1.172 -9.597 1.00 0.86 H new ATOM 0 HE3 LYS A 15 14.602 -0.674 -8.249 1.00 0.86 H new ATOM 0 HZ1 LYS A 15 16.816 0.350 -8.119 1.00 1.43 H new ATOM 0 HZ2 LYS A 15 16.578 -0.698 -6.805 1.00 1.43 H new ATOM 0 HZ3 LYS A 15 17.550 -1.181 -8.111 1.00 1.43 H new ATOM 229 N ASP A 16 11.840 -7.282 -6.832 1.00 0.26 N ATOM 230 CA ASP A 16 11.714 -8.763 -6.931 1.00 0.28 C ATOM 231 C ASP A 16 10.244 -9.168 -6.800 1.00 0.28 C ATOM 232 O ASP A 16 9.723 -9.911 -7.608 1.00 0.32 O ATOM 233 CB ASP A 16 12.538 -9.317 -5.767 1.00 0.29 C ATOM 234 CG ASP A 16 14.025 -9.313 -6.129 1.00 0.79 C ATOM 235 OD1 ASP A 16 14.445 -8.393 -6.811 1.00 1.45 O ATOM 236 OD2 ASP A 16 14.717 -10.229 -5.719 1.00 1.54 O ATOM 0 H ASP A 16 11.497 -6.873 -5.963 1.00 0.26 H new ATOM 0 HA ASP A 16 12.068 -9.148 -7.887 1.00 0.28 H new ATOM 0 HB2 ASP A 16 12.371 -8.715 -4.874 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.215 -10.331 -5.533 1.00 0.29 H new ATOM 241 N ILE A 17 9.569 -8.686 -5.792 1.00 0.26 N ATOM 242 CA ILE A 17 8.133 -9.050 -5.624 1.00 0.26 C ATOM 243 C ILE A 17 7.325 -8.473 -6.787 1.00 0.25 C ATOM 244 O ILE A 17 6.547 -9.162 -7.417 1.00 0.29 O ATOM 245 CB ILE A 17 7.707 -8.418 -4.300 1.00 0.25 C ATOM 246 CG1 ILE A 17 8.527 -9.030 -3.161 1.00 0.26 C ATOM 247 CG2 ILE A 17 6.220 -8.686 -4.062 1.00 0.28 C ATOM 248 CD1 ILE A 17 8.020 -8.497 -1.822 1.00 0.26 C ATOM 0 H ILE A 17 9.947 -8.060 -5.081 1.00 0.26 H new ATOM 0 HA ILE A 17 7.971 -10.128 -5.617 1.00 0.26 H new ATOM 0 HB ILE A 17 7.879 -7.342 -4.336 1.00 0.25 H new ATOM 0 HG12 ILE A 17 8.447 -10.117 -3.185 1.00 0.26 H new ATOM 0 HG13 ILE A 17 9.582 -8.785 -3.286 1.00 0.26 H new ATOM 0 HG21 ILE A 17 5.916 -8.235 -3.117 1.00 0.28 H new ATOM 0 HG22 ILE A 17 5.638 -8.253 -4.875 1.00 0.28 H new ATOM 0 HG23 ILE A 17 6.046 -9.761 -4.024 1.00 0.28 H new ATOM 0 HD11 ILE A 17 8.604 -8.933 -1.012 1.00 0.26 H new ATOM 0 HD12 ILE A 17 8.123 -7.412 -1.800 1.00 0.26 H new ATOM 0 HD13 ILE A 17 6.971 -8.765 -1.698 1.00 0.26 H new ATOM 260 N ALA A 18 7.506 -7.215 -7.078 1.00 0.23 N ATOM 261 CA ALA A 18 6.751 -6.595 -8.202 1.00 0.24 C ATOM 262 C ALA A 18 7.309 -7.106 -9.534 1.00 0.27 C ATOM 263 O ALA A 18 6.578 -7.581 -10.379 1.00 0.29 O ATOM 264 CB ALA A 18 6.975 -5.089 -8.058 1.00 0.23 C ATOM 0 H ALA A 18 8.144 -6.590 -6.586 1.00 0.23 H new ATOM 0 HA ALA A 18 5.689 -6.840 -8.181 1.00 0.24 H new ATOM 0 HB1 ALA A 18 6.447 -4.565 -8.854 1.00 0.23 H new ATOM 0 HB2 ALA A 18 6.597 -4.756 -7.091 1.00 0.23 H new ATOM 0 HB3 ALA A 18 8.041 -4.872 -8.125 1.00 0.23 H new ATOM 270 N GLY A 19 8.601 -7.015 -9.724 1.00 0.29 N ATOM 271 CA GLY A 19 9.211 -7.497 -11.000 1.00 0.33 C ATOM 272 C GLY A 19 8.390 -6.981 -12.185 1.00 0.37 C ATOM 273 O GLY A 19 8.532 -5.851 -12.609 1.00 0.44 O ATOM 0 H GLY A 19 9.260 -6.627 -9.049 1.00 0.29 H new ATOM 0 HA2 GLY A 19 10.241 -7.148 -11.078 1.00 0.33 H new ATOM 0 HA3 GLY A 19 9.242 -8.586 -11.012 1.00 0.33 H new ATOM 277 N SER A 20 7.526 -7.802 -12.717 1.00 0.43 N ATOM 278 CA SER A 20 6.688 -7.363 -13.868 1.00 0.51 C ATOM 279 C SER A 20 5.240 -7.199 -13.403 1.00 0.52 C ATOM 280 O SER A 20 4.516 -6.346 -13.877 1.00 0.85 O ATOM 281 CB SER A 20 6.804 -8.484 -14.901 1.00 0.64 C ATOM 282 OG SER A 20 6.297 -9.690 -14.345 1.00 0.72 O ATOM 0 H SER A 20 7.364 -8.759 -12.403 1.00 0.43 H new ATOM 0 HA SER A 20 7.008 -6.408 -14.284 1.00 0.51 H new ATOM 0 HB2 SER A 20 6.248 -8.223 -15.801 1.00 0.64 H new ATOM 0 HB3 SER A 20 7.845 -8.616 -15.196 1.00 0.64 H new ATOM 0 HG SER A 20 6.368 -10.410 -15.006 1.00 0.72 H new ATOM 288 N ASP A 21 4.814 -8.012 -12.475 1.00 0.38 N ATOM 289 CA ASP A 21 3.415 -7.907 -11.971 1.00 0.35 C ATOM 290 C ASP A 21 3.256 -6.625 -11.148 1.00 0.27 C ATOM 291 O ASP A 21 2.157 -6.183 -10.878 1.00 0.30 O ATOM 292 CB ASP A 21 3.210 -9.142 -11.093 1.00 0.41 C ATOM 293 CG ASP A 21 4.318 -9.229 -10.043 1.00 0.41 C ATOM 294 OD1 ASP A 21 5.381 -9.732 -10.371 1.00 1.19 O ATOM 295 OD2 ASP A 21 4.086 -8.792 -8.928 1.00 1.12 O ATOM 0 H ASP A 21 5.376 -8.746 -12.043 1.00 0.38 H new ATOM 0 HA ASP A 21 2.684 -7.864 -12.778 1.00 0.35 H new ATOM 0 HB2 ASP A 21 2.237 -9.093 -10.604 1.00 0.41 H new ATOM 0 HB3 ASP A 21 3.211 -10.041 -11.710 1.00 0.41 H new ATOM 300 N ASN A 22 4.345 -6.024 -10.745 1.00 0.27 N ATOM 301 CA ASN A 22 4.258 -4.771 -9.937 1.00 0.28 C ATOM 302 C ASN A 22 3.556 -5.060 -8.609 1.00 0.30 C ATOM 303 O ASN A 22 3.072 -4.165 -7.944 1.00 0.41 O ATOM 304 CB ASN A 22 3.439 -3.793 -10.783 1.00 0.38 C ATOM 305 CG ASN A 22 3.847 -2.354 -10.463 1.00 0.73 C ATOM 306 OD1 ASN A 22 4.994 -2.087 -10.164 1.00 1.11 O ATOM 307 ND2 ASN A 22 2.950 -1.407 -10.515 1.00 1.08 N ATOM 0 H ASN A 22 5.292 -6.347 -10.941 1.00 0.27 H new ATOM 0 HA ASN A 22 5.240 -4.363 -9.700 1.00 0.28 H new ATOM 0 HB2 ASN A 22 3.595 -3.997 -11.842 1.00 0.38 H new ATOM 0 HB3 ASN A 22 2.376 -3.931 -10.585 1.00 0.38 H new ATOM 0 HD21 ASN A 22 3.212 -0.444 -10.305 1.00 1.08 H new ATOM 0 HD22 ASN A 22 1.987 -1.630 -10.766 1.00 1.08 H new ATOM 314 N GLY A 23 3.497 -6.303 -8.215 1.00 0.31 N ATOM 315 CA GLY A 23 2.828 -6.645 -6.928 1.00 0.43 C ATOM 316 C GLY A 23 1.401 -7.119 -7.210 1.00 0.41 C ATOM 317 O GLY A 23 0.516 -6.973 -6.391 1.00 0.53 O ATOM 0 H GLY A 23 3.883 -7.096 -8.728 1.00 0.31 H new ATOM 0 HA2 GLY A 23 3.387 -7.425 -6.410 1.00 0.43 H new ATOM 0 HA3 GLY A 23 2.811 -5.775 -6.271 1.00 0.43 H new ATOM 321 N ALA A 24 1.170 -7.686 -8.362 1.00 0.35 N ATOM 322 CA ALA A 24 -0.201 -8.169 -8.691 1.00 0.38 C ATOM 323 C ALA A 24 -0.652 -9.183 -7.638 1.00 0.39 C ATOM 324 O ALA A 24 -1.764 -9.135 -7.152 1.00 0.43 O ATOM 325 CB ALA A 24 -0.079 -8.831 -10.064 1.00 0.41 C ATOM 0 H ALA A 24 1.870 -7.836 -9.089 1.00 0.35 H new ATOM 0 HA ALA A 24 -0.936 -7.364 -8.703 1.00 0.38 H new ATOM 0 HB1 ALA A 24 -1.053 -9.212 -10.372 1.00 0.41 H new ATOM 0 HB2 ALA A 24 0.271 -8.098 -10.791 1.00 0.41 H new ATOM 0 HB3 ALA A 24 0.632 -9.656 -10.009 1.00 0.41 H new ATOM 331 N GLY A 25 0.206 -10.099 -7.278 1.00 0.41 N ATOM 332 CA GLY A 25 -0.173 -11.115 -6.255 1.00 0.45 C ATOM 333 C GLY A 25 0.167 -10.585 -4.859 1.00 0.47 C ATOM 334 O GLY A 25 0.207 -11.327 -3.899 1.00 0.74 O ATOM 0 H GLY A 25 1.152 -10.188 -7.648 1.00 0.41 H new ATOM 0 HA2 GLY A 25 -1.238 -11.335 -6.323 1.00 0.45 H new ATOM 0 HA3 GLY A 25 0.358 -12.049 -6.440 1.00 0.45 H new ATOM 338 N VAL A 26 0.410 -9.307 -4.736 1.00 0.36 N ATOM 339 CA VAL A 26 0.743 -8.738 -3.399 1.00 0.34 C ATOM 340 C VAL A 26 -0.458 -7.951 -2.870 1.00 0.35 C ATOM 341 O VAL A 26 -0.701 -7.894 -1.681 1.00 0.42 O ATOM 342 CB VAL A 26 1.939 -7.814 -3.644 1.00 0.35 C ATOM 343 CG1 VAL A 26 2.190 -6.951 -2.404 1.00 0.36 C ATOM 344 CG2 VAL A 26 3.182 -8.658 -3.934 1.00 0.41 C ATOM 0 H VAL A 26 0.392 -8.634 -5.502 1.00 0.36 H new ATOM 0 HA VAL A 26 0.979 -9.503 -2.660 1.00 0.34 H new ATOM 0 HB VAL A 26 1.726 -7.168 -4.496 1.00 0.35 H new ATOM 0 HG11 VAL A 26 3.042 -6.295 -2.583 1.00 0.36 H new ATOM 0 HG12 VAL A 26 1.306 -6.348 -2.195 1.00 0.36 H new ATOM 0 HG13 VAL A 26 2.401 -7.594 -1.550 1.00 0.36 H new ATOM 0 HG21 VAL A 26 4.035 -8.002 -4.109 1.00 0.41 H new ATOM 0 HG22 VAL A 26 3.390 -9.304 -3.081 1.00 0.41 H new ATOM 0 HG23 VAL A 26 3.008 -9.270 -4.819 1.00 0.41 H new ATOM 354 N GLY A 27 -1.210 -7.344 -3.746 1.00 0.37 N ATOM 355 CA GLY A 27 -2.394 -6.560 -3.296 1.00 0.40 C ATOM 356 C GLY A 27 -3.615 -7.479 -3.239 1.00 0.38 C ATOM 357 O GLY A 27 -4.432 -7.387 -2.344 1.00 0.45 O ATOM 0 H GLY A 27 -1.056 -7.357 -4.754 1.00 0.37 H new ATOM 0 HA2 GLY A 27 -2.205 -6.125 -2.314 1.00 0.40 H new ATOM 0 HA3 GLY A 27 -2.579 -5.732 -3.981 1.00 0.40 H new ATOM 361 N LYS A 28 -3.750 -8.367 -4.187 1.00 0.37 N ATOM 362 CA LYS A 28 -4.921 -9.287 -4.182 1.00 0.38 C ATOM 363 C LYS A 28 -4.863 -10.186 -2.944 1.00 0.36 C ATOM 364 O LYS A 28 -5.876 -10.604 -2.422 1.00 0.40 O ATOM 365 CB LYS A 28 -4.795 -10.110 -5.467 1.00 0.45 C ATOM 366 CG LYS A 28 -3.572 -11.025 -5.381 1.00 0.44 C ATOM 367 CD LYS A 28 -3.606 -12.039 -6.527 1.00 0.55 C ATOM 368 CE LYS A 28 -3.654 -11.302 -7.868 1.00 0.50 C ATOM 369 NZ LYS A 28 -3.951 -12.362 -8.870 1.00 0.77 N ATOM 0 H LYS A 28 -3.100 -8.494 -4.963 1.00 0.37 H new ATOM 0 HA LYS A 28 -5.872 -8.755 -4.146 1.00 0.38 H new ATOM 0 HB2 LYS A 28 -5.696 -10.705 -5.618 1.00 0.45 H new ATOM 0 HB3 LYS A 28 -4.704 -9.446 -6.327 1.00 0.45 H new ATOM 0 HG2 LYS A 28 -2.658 -10.433 -5.433 1.00 0.44 H new ATOM 0 HG3 LYS A 28 -3.561 -11.545 -4.423 1.00 0.44 H new ATOM 0 HD2 LYS A 28 -2.725 -12.680 -6.485 1.00 0.55 H new ATOM 0 HD3 LYS A 28 -4.477 -12.687 -6.426 1.00 0.55 H new ATOM 0 HE2 LYS A 28 -4.423 -10.530 -7.868 1.00 0.50 H new ATOM 0 HE3 LYS A 28 -2.706 -10.808 -8.083 1.00 0.50 H new ATOM 0 HZ1 LYS A 28 -4.001 -11.939 -9.819 1.00 0.77 H new ATOM 0 HZ2 LYS A 28 -3.198 -13.079 -8.850 1.00 0.77 H new ATOM 0 HZ3 LYS A 28 -4.862 -12.810 -8.642 1.00 0.77 H new ATOM 383 N GLU A 29 -3.684 -10.485 -2.468 1.00 0.33 N ATOM 384 CA GLU A 29 -3.568 -11.355 -1.263 1.00 0.35 C ATOM 385 C GLU A 29 -3.471 -10.484 -0.007 1.00 0.33 C ATOM 386 O GLU A 29 -3.702 -10.940 1.095 1.00 0.39 O ATOM 387 CB GLU A 29 -2.284 -12.163 -1.467 1.00 0.39 C ATOM 388 CG GLU A 29 -1.072 -11.229 -1.427 1.00 0.43 C ATOM 389 CD GLU A 29 0.218 -12.048 -1.361 1.00 0.84 C ATOM 390 OE1 GLU A 29 0.187 -13.198 -1.768 1.00 1.63 O ATOM 391 OE2 GLU A 29 1.214 -11.513 -0.905 1.00 1.49 O ATOM 0 H GLU A 29 -2.799 -10.165 -2.861 1.00 0.33 H new ATOM 0 HA GLU A 29 -4.431 -12.009 -1.136 1.00 0.35 H new ATOM 0 HB2 GLU A 29 -2.195 -12.923 -0.691 1.00 0.39 H new ATOM 0 HB3 GLU A 29 -2.320 -12.686 -2.423 1.00 0.39 H new ATOM 0 HG2 GLU A 29 -1.064 -10.593 -2.312 1.00 0.43 H new ATOM 0 HG3 GLU A 29 -1.139 -10.570 -0.561 1.00 0.43 H new ATOM 398 N CYS A 30 -3.130 -9.234 -0.166 1.00 0.31 N ATOM 399 CA CYS A 30 -3.018 -8.336 1.018 1.00 0.32 C ATOM 400 C CYS A 30 -4.395 -7.766 1.366 1.00 0.28 C ATOM 401 O CYS A 30 -4.918 -7.991 2.439 1.00 0.33 O ATOM 402 CB CYS A 30 -2.061 -7.222 0.587 1.00 0.35 C ATOM 403 SG CYS A 30 -1.990 -5.951 1.875 1.00 0.40 S ATOM 0 H CYS A 30 -2.924 -8.796 -1.064 1.00 0.31 H new ATOM 0 HA CYS A 30 -2.653 -8.856 1.904 1.00 0.32 H new ATOM 0 HB2 CYS A 30 -1.066 -7.631 0.410 1.00 0.35 H new ATOM 0 HB3 CYS A 30 -2.397 -6.784 -0.353 1.00 0.35 H new ATOM 0 HG CYS A 30 -2.573 -4.870 1.450 1.00 0.40 H new ATOM 409 N PHE A 31 -4.986 -7.026 0.468 1.00 0.28 N ATOM 410 CA PHE A 31 -6.326 -6.440 0.751 1.00 0.28 C ATOM 411 C PHE A 31 -7.318 -7.557 1.087 1.00 0.27 C ATOM 412 O PHE A 31 -8.218 -7.380 1.884 1.00 0.28 O ATOM 413 CB PHE A 31 -6.730 -5.712 -0.533 1.00 0.33 C ATOM 414 CG PHE A 31 -6.129 -4.326 -0.529 1.00 0.37 C ATOM 415 CD1 PHE A 31 -6.664 -3.333 0.300 1.00 1.29 C ATOM 416 CD2 PHE A 31 -5.034 -4.036 -1.351 1.00 1.24 C ATOM 417 CE1 PHE A 31 -6.104 -2.050 0.306 1.00 1.33 C ATOM 418 CE2 PHE A 31 -4.475 -2.753 -1.346 1.00 1.25 C ATOM 419 CZ PHE A 31 -5.010 -1.759 -0.517 1.00 0.50 C ATOM 0 H PHE A 31 -4.599 -6.802 -0.449 1.00 0.28 H new ATOM 0 HA PHE A 31 -6.313 -5.759 1.602 1.00 0.28 H new ATOM 0 HB2 PHE A 31 -6.385 -6.268 -1.404 1.00 0.33 H new ATOM 0 HB3 PHE A 31 -7.816 -5.650 -0.604 1.00 0.33 H new ATOM 0 HD1 PHE A 31 -7.509 -3.557 0.935 1.00 1.29 H new ATOM 0 HD2 PHE A 31 -4.620 -4.803 -1.989 1.00 1.24 H new ATOM 0 HE1 PHE A 31 -6.516 -1.284 0.946 1.00 1.33 H new ATOM 0 HE2 PHE A 31 -3.631 -2.529 -1.982 1.00 1.25 H new ATOM 0 HZ PHE A 31 -4.579 -0.769 -0.513 1.00 0.50 H new ATOM 429 N THR A 32 -7.161 -8.707 0.490 1.00 0.29 N ATOM 430 CA THR A 32 -8.096 -9.831 0.786 1.00 0.31 C ATOM 431 C THR A 32 -8.191 -10.029 2.300 1.00 0.32 C ATOM 432 O THR A 32 -9.250 -9.916 2.885 1.00 0.43 O ATOM 433 CB THR A 32 -7.482 -11.066 0.118 1.00 0.34 C ATOM 434 OG1 THR A 32 -6.084 -10.872 -0.052 1.00 1.06 O ATOM 435 CG2 THR A 32 -8.139 -11.293 -1.244 1.00 0.95 C ATOM 0 H THR A 32 -6.428 -8.917 -0.188 1.00 0.29 H new ATOM 0 HA THR A 32 -9.103 -9.641 0.415 1.00 0.31 H new ATOM 0 HB THR A 32 -7.650 -11.939 0.749 1.00 0.34 H new ATOM 0 HG1 THR A 32 -5.905 -10.563 -0.965 1.00 1.06 H new ATOM 0 HG21 THR A 32 -7.701 -12.172 -1.717 1.00 0.95 H new ATOM 0 HG22 THR A 32 -9.209 -11.449 -1.110 1.00 0.95 H new ATOM 0 HG23 THR A 32 -7.976 -10.421 -1.877 1.00 0.95 H new ATOM 443 N LYS A 33 -7.091 -10.321 2.939 1.00 0.30 N ATOM 444 CA LYS A 33 -7.118 -10.525 4.415 1.00 0.33 C ATOM 445 C LYS A 33 -7.655 -9.264 5.095 1.00 0.32 C ATOM 446 O LYS A 33 -8.403 -9.333 6.051 1.00 0.38 O ATOM 447 CB LYS A 33 -5.664 -10.780 4.813 1.00 0.38 C ATOM 448 CG LYS A 33 -5.360 -12.276 4.708 1.00 0.55 C ATOM 449 CD LYS A 33 -4.031 -12.478 3.978 1.00 0.78 C ATOM 450 CE LYS A 33 -2.875 -12.102 4.907 1.00 0.96 C ATOM 451 NZ LYS A 33 -1.693 -11.982 4.009 1.00 1.83 N ATOM 0 H LYS A 33 -6.175 -10.427 2.503 1.00 0.30 H new ATOM 0 HA LYS A 33 -7.762 -11.353 4.713 1.00 0.33 H new ATOM 0 HB2 LYS A 33 -4.994 -10.216 4.164 1.00 0.38 H new ATOM 0 HB3 LYS A 33 -5.489 -10.433 5.831 1.00 0.38 H new ATOM 0 HG2 LYS A 33 -5.311 -12.718 5.703 1.00 0.55 H new ATOM 0 HG3 LYS A 33 -6.162 -12.784 4.172 1.00 0.55 H new ATOM 0 HD2 LYS A 33 -3.933 -13.516 3.660 1.00 0.78 H new ATOM 0 HD3 LYS A 33 -4.002 -11.865 3.077 1.00 0.78 H new ATOM 0 HE2 LYS A 33 -3.074 -11.165 5.428 1.00 0.96 H new ATOM 0 HE3 LYS A 33 -2.717 -12.864 5.671 1.00 0.96 H new ATOM 0 HZ1 LYS A 33 -0.856 -11.726 4.570 1.00 1.83 H new ATOM 0 HZ2 LYS A 33 -1.525 -12.891 3.532 1.00 1.83 H new ATOM 0 HZ3 LYS A 33 -1.871 -11.245 3.297 1.00 1.83 H new ATOM 465 N PHE A 34 -7.281 -8.111 4.610 1.00 0.29 N ATOM 466 CA PHE A 34 -7.773 -6.848 5.229 1.00 0.29 C ATOM 467 C PHE A 34 -9.300 -6.802 5.148 1.00 0.29 C ATOM 468 O PHE A 34 -9.981 -6.681 6.147 1.00 0.33 O ATOM 469 CB PHE A 34 -7.151 -5.723 4.401 1.00 0.29 C ATOM 470 CG PHE A 34 -7.279 -4.416 5.147 1.00 0.33 C ATOM 471 CD1 PHE A 34 -6.940 -4.347 6.504 1.00 1.30 C ATOM 472 CD2 PHE A 34 -7.739 -3.272 4.483 1.00 1.19 C ATOM 473 CE1 PHE A 34 -7.059 -3.136 7.195 1.00 1.36 C ATOM 474 CE2 PHE A 34 -7.858 -2.061 5.174 1.00 1.20 C ATOM 475 CZ PHE A 34 -7.518 -1.993 6.531 1.00 0.53 C ATOM 0 H PHE A 34 -6.657 -7.990 3.813 1.00 0.29 H new ATOM 0 HA PHE A 34 -7.501 -6.763 6.281 1.00 0.29 H new ATOM 0 HB2 PHE A 34 -6.101 -5.940 4.204 1.00 0.29 H new ATOM 0 HB3 PHE A 34 -7.648 -5.652 3.434 1.00 0.29 H new ATOM 0 HD1 PHE A 34 -6.587 -5.229 7.018 1.00 1.30 H new ATOM 0 HD2 PHE A 34 -8.002 -3.324 3.437 1.00 1.19 H new ATOM 0 HE1 PHE A 34 -6.796 -3.084 8.241 1.00 1.36 H new ATOM 0 HE2 PHE A 34 -8.212 -1.179 4.661 1.00 1.20 H new ATOM 0 HZ PHE A 34 -7.610 -1.059 7.065 1.00 0.53 H new ATOM 485 N LEU A 35 -9.843 -6.900 3.965 1.00 0.28 N ATOM 486 CA LEU A 35 -11.326 -6.863 3.821 1.00 0.30 C ATOM 487 C LEU A 35 -11.960 -7.890 4.764 1.00 0.35 C ATOM 488 O LEU A 35 -12.938 -7.614 5.429 1.00 0.40 O ATOM 489 CB LEU A 35 -11.597 -7.226 2.361 1.00 0.30 C ATOM 490 CG LEU A 35 -11.048 -6.126 1.452 1.00 0.29 C ATOM 491 CD1 LEU A 35 -10.672 -6.723 0.095 1.00 0.33 C ATOM 492 CD2 LEU A 35 -12.117 -5.048 1.255 1.00 0.31 C ATOM 0 H LEU A 35 -9.324 -7.004 3.093 1.00 0.28 H new ATOM 0 HA LEU A 35 -11.747 -5.890 4.074 1.00 0.30 H new ATOM 0 HB2 LEU A 35 -11.128 -8.180 2.119 1.00 0.30 H new ATOM 0 HB3 LEU A 35 -12.668 -7.347 2.198 1.00 0.30 H new ATOM 0 HG LEU A 35 -10.164 -5.684 1.911 1.00 0.29 H new ATOM 0 HD11 LEU A 35 -10.281 -5.938 -0.552 1.00 0.33 H new ATOM 0 HD12 LEU A 35 -9.911 -7.491 0.234 1.00 0.33 H new ATOM 0 HD13 LEU A 35 -11.555 -7.166 -0.365 1.00 0.33 H new ATOM 0 HD21 LEU A 35 -11.727 -4.263 0.607 1.00 0.31 H new ATOM 0 HD22 LEU A 35 -13.001 -5.491 0.796 1.00 0.31 H new ATOM 0 HD23 LEU A 35 -12.385 -4.621 2.221 1.00 0.31 H new ATOM 504 N SER A 36 -11.409 -9.071 4.826 1.00 0.34 N ATOM 505 CA SER A 36 -11.981 -10.113 5.726 1.00 0.40 C ATOM 506 C SER A 36 -11.857 -9.659 7.183 1.00 0.42 C ATOM 507 O SER A 36 -12.834 -9.327 7.824 1.00 0.49 O ATOM 508 CB SER A 36 -11.143 -11.368 5.476 1.00 0.42 C ATOM 509 OG SER A 36 -9.834 -10.988 5.072 1.00 1.23 O ATOM 0 H SER A 36 -10.588 -9.360 4.293 1.00 0.34 H new ATOM 0 HA SER A 36 -13.038 -10.296 5.533 1.00 0.40 H new ATOM 0 HB2 SER A 36 -11.095 -11.973 6.381 1.00 0.42 H new ATOM 0 HB3 SER A 36 -11.609 -11.983 4.706 1.00 0.42 H new ATOM 0 HG SER A 36 -9.794 -10.943 4.094 1.00 1.23 H new ATOM 515 N ALA A 37 -10.663 -9.641 7.710 1.00 0.41 N ATOM 516 CA ALA A 37 -10.480 -9.207 9.125 1.00 0.45 C ATOM 517 C ALA A 37 -11.196 -7.874 9.350 1.00 0.44 C ATOM 518 O ALA A 37 -11.580 -7.543 10.454 1.00 0.51 O ATOM 519 CB ALA A 37 -8.969 -9.049 9.305 1.00 0.46 C ATOM 0 H ALA A 37 -9.807 -9.908 7.223 1.00 0.41 H new ATOM 0 HA ALA A 37 -10.894 -9.920 9.838 1.00 0.45 H new ATOM 0 HB1 ALA A 37 -8.755 -8.730 10.325 1.00 0.46 H new ATOM 0 HB2 ALA A 37 -8.478 -10.003 9.112 1.00 0.46 H new ATOM 0 HB3 ALA A 37 -8.596 -8.301 8.606 1.00 0.46 H new ATOM 525 N HIS A 38 -11.380 -7.107 8.310 1.00 0.36 N ATOM 526 CA HIS A 38 -12.072 -5.797 8.462 1.00 0.37 C ATOM 527 C HIS A 38 -13.368 -5.802 7.647 1.00 0.35 C ATOM 528 O HIS A 38 -13.375 -5.499 6.470 1.00 0.33 O ATOM 529 CB HIS A 38 -11.092 -4.756 7.917 1.00 0.34 C ATOM 530 CG HIS A 38 -9.762 -4.913 8.601 1.00 0.39 C ATOM 531 ND1 HIS A 38 -8.853 -5.942 8.615 1.00 0.47 N flip ATOM 532 CD2 HIS A 38 -9.220 -3.918 9.399 1.00 0.39 C flip ATOM 533 CE1 HIS A 38 -7.764 -5.594 9.408 1.00 0.51 C flip ATOM 534 NE2 HIS A 38 -8.036 -4.365 9.856 1.00 0.47 N flip ATOM 0 H HIS A 38 -11.081 -7.332 7.361 1.00 0.36 H new ATOM 0 HA HIS A 38 -12.342 -5.586 9.497 1.00 0.37 H new ATOM 0 HB2 HIS A 38 -10.976 -4.879 6.840 1.00 0.34 H new ATOM 0 HB3 HIS A 38 -11.482 -3.752 8.083 1.00 0.34 H new ATOM 0 HD2 HIS A 38 -9.667 -2.959 9.615 1.00 0.39 H new ATOM 0 HE1 HIS A 38 -6.887 -6.189 9.617 1.00 0.51 H new ATOM 0 HE2 HIS A 38 -7.421 -3.831 10.470 1.00 0.47 H new ATOM 543 N HIS A 39 -14.465 -6.141 8.267 1.00 0.39 N ATOM 544 CA HIS A 39 -15.761 -6.161 7.532 1.00 0.40 C ATOM 545 C HIS A 39 -16.310 -4.737 7.425 1.00 0.42 C ATOM 546 O HIS A 39 -17.141 -4.443 6.589 1.00 0.56 O ATOM 547 CB HIS A 39 -16.688 -7.040 8.374 1.00 0.47 C ATOM 548 CG HIS A 39 -16.437 -8.487 8.051 1.00 0.57 C ATOM 549 ND1 HIS A 39 -15.592 -9.094 7.155 1.00 0.84 N flip ATOM 550 CD2 HIS A 39 -17.107 -9.515 8.695 1.00 0.53 C flip ATOM 551 CE1 HIS A 39 -15.734 -10.476 7.239 1.00 0.96 C flip ATOM 552 NE2 HIS A 39 -16.659 -10.676 8.182 1.00 0.76 N flip ATOM 0 H HIS A 39 -14.520 -6.405 9.251 1.00 0.39 H new ATOM 0 HA HIS A 39 -15.662 -6.546 6.517 1.00 0.40 H new ATOM 0 HB2 HIS A 39 -16.515 -6.858 9.435 1.00 0.47 H new ATOM 0 HB3 HIS A 39 -17.729 -6.787 8.173 1.00 0.47 H new ATOM 0 HD2 HIS A 39 -17.853 -9.405 9.468 1.00 0.53 H new ATOM 0 HE1 HIS A 39 -15.209 -11.226 6.665 1.00 0.96 H new ATOM 0 HE2 HIS A 39 -16.986 -11.596 8.477 1.00 0.76 H new ATOM 561 N ASP A 40 -15.850 -3.849 8.263 1.00 0.37 N ATOM 562 CA ASP A 40 -16.344 -2.444 8.204 1.00 0.39 C ATOM 563 C ASP A 40 -15.790 -1.760 6.951 1.00 0.34 C ATOM 564 O ASP A 40 -16.298 -0.748 6.510 1.00 0.38 O ATOM 565 CB ASP A 40 -15.807 -1.774 9.470 1.00 0.41 C ATOM 566 CG ASP A 40 -14.280 -1.701 9.417 1.00 0.38 C ATOM 567 OD1 ASP A 40 -13.656 -2.749 9.415 1.00 1.12 O ATOM 568 OD2 ASP A 40 -13.760 -0.598 9.379 1.00 1.14 O ATOM 0 H ASP A 40 -15.154 -4.035 8.985 1.00 0.37 H new ATOM 0 HA ASP A 40 -17.431 -2.384 8.153 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -16.224 -0.771 9.565 1.00 0.41 H new ATOM 0 HB3 ASP A 40 -16.122 -2.335 10.350 1.00 0.41 H new ATOM 573 N MET A 41 -14.752 -2.303 6.375 1.00 0.31 N ATOM 574 CA MET A 41 -14.167 -1.682 5.153 1.00 0.31 C ATOM 575 C MET A 41 -14.520 -2.526 3.925 1.00 0.29 C ATOM 576 O MET A 41 -14.564 -2.036 2.816 1.00 0.32 O ATOM 577 CB MET A 41 -12.656 -1.675 5.388 1.00 0.36 C ATOM 578 CG MET A 41 -12.349 -1.015 6.734 1.00 0.47 C ATOM 579 SD MET A 41 -13.030 0.662 6.755 1.00 1.37 S ATOM 580 CE MET A 41 -11.853 1.399 5.595 1.00 0.46 C ATOM 0 H MET A 41 -14.284 -3.150 6.698 1.00 0.31 H new ATOM 0 HA MET A 41 -14.548 -0.677 4.974 1.00 0.31 H new ATOM 0 HB2 MET A 41 -12.271 -2.695 5.375 1.00 0.36 H new ATOM 0 HB3 MET A 41 -12.155 -1.135 4.584 1.00 0.36 H new ATOM 0 HG2 MET A 41 -12.778 -1.603 7.545 1.00 0.47 H new ATOM 0 HG3 MET A 41 -11.272 -0.983 6.898 1.00 0.47 H new ATOM 0 HE1 MET A 41 -11.797 2.474 5.767 1.00 0.46 H new ATOM 0 HE2 MET A 41 -10.869 0.956 5.745 1.00 0.46 H new ATOM 0 HE3 MET A 41 -12.183 1.212 4.573 1.00 0.46 H new ATOM 590 N ALA A 42 -14.773 -3.793 4.114 1.00 0.31 N ATOM 591 CA ALA A 42 -15.122 -4.664 2.953 1.00 0.35 C ATOM 592 C ALA A 42 -16.194 -3.982 2.099 1.00 0.35 C ATOM 593 O ALA A 42 -16.176 -4.055 0.887 1.00 0.42 O ATOM 594 CB ALA A 42 -15.657 -5.957 3.567 1.00 0.42 C ATOM 0 H ALA A 42 -14.753 -4.262 5.019 1.00 0.31 H new ATOM 0 HA ALA A 42 -14.268 -4.855 2.303 1.00 0.35 H new ATOM 0 HB1 ALA A 42 -15.935 -6.649 2.772 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -14.886 -6.410 4.190 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -16.532 -5.735 4.178 1.00 0.42 H new ATOM 600 N ALA A 43 -17.126 -3.314 2.723 1.00 0.38 N ATOM 601 CA ALA A 43 -18.194 -2.623 1.947 1.00 0.39 C ATOM 602 C ALA A 43 -17.642 -1.314 1.378 1.00 0.34 C ATOM 603 O ALA A 43 -18.144 -0.786 0.406 1.00 0.40 O ATOM 604 CB ALA A 43 -19.312 -2.349 2.954 1.00 0.45 C ATOM 0 H ALA A 43 -17.194 -3.217 3.736 1.00 0.38 H new ATOM 0 HA ALA A 43 -18.554 -3.217 1.107 1.00 0.39 H new ATOM 0 HB1 ALA A 43 -20.136 -1.840 2.454 1.00 0.45 H new ATOM 0 HB2 ALA A 43 -19.667 -3.292 3.369 1.00 0.45 H new ATOM 0 HB3 ALA A 43 -18.931 -1.719 3.758 1.00 0.45 H new ATOM 610 N VAL A 44 -16.608 -0.789 1.977 1.00 0.28 N ATOM 611 CA VAL A 44 -16.018 0.484 1.474 1.00 0.27 C ATOM 612 C VAL A 44 -15.262 0.216 0.168 1.00 0.25 C ATOM 613 O VAL A 44 -15.233 1.040 -0.724 1.00 0.37 O ATOM 614 CB VAL A 44 -15.062 0.945 2.580 1.00 0.31 C ATOM 615 CG1 VAL A 44 -14.135 2.041 2.048 1.00 0.37 C ATOM 616 CG2 VAL A 44 -15.874 1.495 3.755 1.00 0.36 C ATOM 0 H VAL A 44 -16.146 -1.187 2.794 1.00 0.28 H new ATOM 0 HA VAL A 44 -16.770 1.243 1.258 1.00 0.27 H new ATOM 0 HB VAL A 44 -14.461 0.097 2.910 1.00 0.31 H new ATOM 0 HG11 VAL A 44 -13.459 2.362 2.841 1.00 0.37 H new ATOM 0 HG12 VAL A 44 -13.554 1.652 1.212 1.00 0.37 H new ATOM 0 HG13 VAL A 44 -14.731 2.890 1.712 1.00 0.37 H new ATOM 0 HG21 VAL A 44 -15.197 1.824 4.543 1.00 0.36 H new ATOM 0 HG22 VAL A 44 -16.475 2.339 3.418 1.00 0.36 H new ATOM 0 HG23 VAL A 44 -16.529 0.714 4.142 1.00 0.36 H new ATOM 626 N PHE A 45 -14.649 -0.929 0.052 1.00 0.28 N ATOM 627 CA PHE A 45 -13.893 -1.246 -1.192 1.00 0.26 C ATOM 628 C PHE A 45 -14.870 -1.610 -2.312 1.00 0.27 C ATOM 629 O PHE A 45 -14.713 -1.196 -3.444 1.00 0.37 O ATOM 630 CB PHE A 45 -13.010 -2.441 -0.831 1.00 0.28 C ATOM 631 CG PHE A 45 -11.810 -1.958 -0.053 1.00 0.25 C ATOM 632 CD1 PHE A 45 -11.986 -1.351 1.196 1.00 1.19 C ATOM 633 CD2 PHE A 45 -10.524 -2.116 -0.580 1.00 1.26 C ATOM 634 CE1 PHE A 45 -10.874 -0.901 1.918 1.00 1.20 C ATOM 635 CE2 PHE A 45 -9.412 -1.666 0.141 1.00 1.26 C ATOM 636 CZ PHE A 45 -9.587 -1.058 1.391 1.00 0.33 C ATOM 0 H PHE A 45 -14.639 -1.659 0.764 1.00 0.28 H new ATOM 0 HA PHE A 45 -13.299 -0.403 -1.546 1.00 0.26 H new ATOM 0 HB2 PHE A 45 -13.576 -3.160 -0.239 1.00 0.28 H new ATOM 0 HB3 PHE A 45 -12.688 -2.956 -1.736 1.00 0.28 H new ATOM 0 HD1 PHE A 45 -12.979 -1.230 1.603 1.00 1.19 H new ATOM 0 HD2 PHE A 45 -10.389 -2.585 -1.543 1.00 1.26 H new ATOM 0 HE1 PHE A 45 -11.009 -0.433 2.882 1.00 1.20 H new ATOM 0 HE2 PHE A 45 -8.419 -1.787 -0.266 1.00 1.26 H new ATOM 0 HZ PHE A 45 -8.729 -0.711 1.948 1.00 0.33 H new ATOM 646 N GLY A 46 -15.879 -2.380 -2.008 1.00 0.27 N ATOM 647 CA GLY A 46 -16.863 -2.766 -3.057 1.00 0.32 C ATOM 648 C GLY A 46 -16.846 -4.286 -3.228 1.00 0.37 C ATOM 649 O GLY A 46 -17.019 -4.799 -4.316 1.00 0.82 O ATOM 0 H GLY A 46 -16.064 -2.758 -1.079 1.00 0.27 H new ATOM 0 HA2 GLY A 46 -17.862 -2.431 -2.777 1.00 0.32 H new ATOM 0 HA3 GLY A 46 -16.616 -2.279 -4.001 1.00 0.32 H new ATOM 653 N PHE A 47 -16.641 -5.010 -2.163 1.00 0.49 N ATOM 654 CA PHE A 47 -16.613 -6.497 -2.267 1.00 0.49 C ATOM 655 C PHE A 47 -17.608 -7.102 -1.275 1.00 0.57 C ATOM 656 O PHE A 47 -18.128 -6.426 -0.410 1.00 0.58 O ATOM 657 CB PHE A 47 -15.182 -6.903 -1.909 1.00 0.44 C ATOM 658 CG PHE A 47 -14.203 -6.115 -2.747 1.00 0.33 C ATOM 659 CD1 PHE A 47 -14.482 -5.852 -4.094 1.00 1.23 C ATOM 660 CD2 PHE A 47 -13.012 -5.649 -2.176 1.00 1.15 C ATOM 661 CE1 PHE A 47 -13.571 -5.125 -4.869 1.00 1.21 C ATOM 662 CE2 PHE A 47 -12.102 -4.921 -2.951 1.00 1.14 C ATOM 663 CZ PHE A 47 -12.381 -4.660 -4.297 1.00 0.22 C ATOM 0 H PHE A 47 -16.492 -4.637 -1.225 1.00 0.49 H new ATOM 0 HA PHE A 47 -16.891 -6.848 -3.261 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -14.997 -6.722 -0.850 1.00 0.44 H new ATOM 0 HB3 PHE A 47 -15.044 -7.971 -2.079 1.00 0.44 H new ATOM 0 HD1 PHE A 47 -15.400 -6.210 -4.535 1.00 1.23 H new ATOM 0 HD2 PHE A 47 -12.796 -5.851 -1.137 1.00 1.15 H new ATOM 0 HE1 PHE A 47 -13.786 -4.923 -5.908 1.00 1.21 H new ATOM 0 HE2 PHE A 47 -11.184 -4.561 -2.510 1.00 1.14 H new ATOM 0 HZ PHE A 47 -11.678 -4.099 -4.895 1.00 0.22 H new ATOM 673 N SER A 48 -17.871 -8.375 -1.390 1.00 0.64 N ATOM 674 CA SER A 48 -18.826 -9.027 -0.450 1.00 0.72 C ATOM 675 C SER A 48 -18.052 -9.916 0.525 1.00 0.72 C ATOM 676 O SER A 48 -18.599 -10.820 1.126 1.00 0.90 O ATOM 677 CB SER A 48 -19.751 -9.865 -1.333 1.00 0.76 C ATOM 678 OG SER A 48 -20.791 -10.415 -0.534 1.00 0.89 O ATOM 0 H SER A 48 -17.466 -8.992 -2.094 1.00 0.64 H new ATOM 0 HA SER A 48 -19.390 -8.307 0.144 1.00 0.72 H new ATOM 0 HB2 SER A 48 -20.173 -9.248 -2.126 1.00 0.76 H new ATOM 0 HB3 SER A 48 -19.187 -10.663 -1.816 1.00 0.76 H new ATOM 0 HG SER A 48 -20.418 -10.733 0.315 1.00 0.89 H new ATOM 684 N GLY A 49 -16.780 -9.667 0.685 1.00 0.67 N ATOM 685 CA GLY A 49 -15.967 -10.496 1.618 1.00 0.67 C ATOM 686 C GLY A 49 -14.546 -10.623 1.066 1.00 0.57 C ATOM 687 O GLY A 49 -14.151 -9.900 0.172 1.00 0.54 O ATOM 0 H GLY A 49 -16.269 -8.924 0.209 1.00 0.67 H new ATOM 0 HA2 GLY A 49 -15.947 -10.038 2.607 1.00 0.67 H new ATOM 0 HA3 GLY A 49 -16.416 -11.483 1.732 1.00 0.67 H new ATOM 691 N ALA A 50 -13.774 -11.535 1.589 1.00 0.56 N ATOM 692 CA ALA A 50 -12.380 -11.706 1.092 1.00 0.51 C ATOM 693 C ALA A 50 -12.354 -12.768 -0.009 1.00 0.50 C ATOM 694 O ALA A 50 -11.340 -13.386 -0.266 1.00 0.74 O ATOM 695 CB ALA A 50 -11.572 -12.165 2.307 1.00 0.61 C ATOM 0 H ALA A 50 -14.048 -12.169 2.339 1.00 0.56 H new ATOM 0 HA ALA A 50 -11.973 -10.789 0.666 1.00 0.51 H new ATOM 0 HB1 ALA A 50 -10.532 -12.312 2.018 1.00 0.61 H new ATOM 0 HB2 ALA A 50 -11.628 -11.407 3.088 1.00 0.61 H new ATOM 0 HB3 ALA A 50 -11.980 -13.103 2.682 1.00 0.61 H new ATOM 701 N SER A 51 -13.463 -12.986 -0.662 1.00 0.53 N ATOM 702 CA SER A 51 -13.501 -14.008 -1.746 1.00 0.56 C ATOM 703 C SER A 51 -13.929 -13.350 -3.060 1.00 0.57 C ATOM 704 O SER A 51 -14.369 -14.009 -3.981 1.00 0.74 O ATOM 705 CB SER A 51 -14.538 -15.036 -1.293 1.00 0.66 C ATOM 706 OG SER A 51 -14.659 -16.049 -2.283 1.00 1.50 O ATOM 0 H SER A 51 -14.344 -12.501 -0.492 1.00 0.53 H new ATOM 0 HA SER A 51 -12.529 -14.470 -1.918 1.00 0.56 H new ATOM 0 HB2 SER A 51 -14.240 -15.475 -0.341 1.00 0.66 H new ATOM 0 HB3 SER A 51 -15.501 -14.552 -1.132 1.00 0.66 H new ATOM 0 HG SER A 51 -14.596 -15.645 -3.174 1.00 1.50 H new ATOM 712 N ASP A 52 -13.802 -12.055 -3.155 1.00 0.53 N ATOM 713 CA ASP A 52 -14.202 -11.357 -4.410 1.00 0.58 C ATOM 714 C ASP A 52 -12.953 -11.010 -5.225 1.00 0.55 C ATOM 715 O ASP A 52 -11.967 -10.552 -4.684 1.00 0.52 O ATOM 716 CB ASP A 52 -14.923 -10.088 -3.954 1.00 0.64 C ATOM 717 CG ASP A 52 -16.430 -10.233 -4.174 1.00 1.33 C ATOM 718 OD1 ASP A 52 -17.037 -11.024 -3.471 1.00 1.93 O ATOM 719 OD2 ASP A 52 -16.950 -9.551 -5.041 1.00 2.17 O ATOM 0 H ASP A 52 -13.439 -11.450 -2.418 1.00 0.53 H new ATOM 0 HA ASP A 52 -14.841 -11.971 -5.044 1.00 0.58 H new ATOM 0 HB2 ASP A 52 -14.718 -9.902 -2.900 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -14.548 -9.228 -4.508 1.00 0.64 H new ATOM 724 N PRO A 53 -13.039 -11.243 -6.508 1.00 0.61 N ATOM 725 CA PRO A 53 -11.878 -10.941 -7.387 1.00 0.62 C ATOM 726 C PRO A 53 -11.623 -9.431 -7.418 1.00 0.59 C ATOM 727 O PRO A 53 -10.548 -8.981 -7.763 1.00 0.92 O ATOM 728 CB PRO A 53 -12.304 -11.458 -8.761 1.00 0.72 C ATOM 729 CG PRO A 53 -13.788 -11.607 -8.706 1.00 0.78 C ATOM 730 CD PRO A 53 -14.171 -11.793 -7.265 1.00 0.69 C ATOM 0 HA PRO A 53 -10.951 -11.402 -7.046 1.00 0.62 H new ATOM 0 HB2 PRO A 53 -12.011 -10.762 -9.547 1.00 0.72 H new ATOM 0 HB3 PRO A 53 -11.825 -12.411 -8.984 1.00 0.72 H new ATOM 0 HG2 PRO A 53 -14.277 -10.726 -9.122 1.00 0.78 H new ATOM 0 HG3 PRO A 53 -14.110 -12.461 -9.301 1.00 0.78 H new ATOM 0 HD2 PRO A 53 -15.097 -11.269 -7.030 1.00 0.69 H new ATOM 0 HD3 PRO A 53 -14.332 -12.845 -7.030 1.00 0.69 H new ATOM 738 N GLY A 54 -12.602 -8.646 -7.062 1.00 0.39 N ATOM 739 CA GLY A 54 -12.414 -7.168 -7.073 1.00 0.35 C ATOM 740 C GLY A 54 -11.196 -6.809 -6.223 1.00 0.28 C ATOM 741 O GLY A 54 -10.444 -5.910 -6.545 1.00 0.28 O ATOM 0 H GLY A 54 -13.524 -8.964 -6.764 1.00 0.39 H new ATOM 0 HA2 GLY A 54 -12.276 -6.815 -8.095 1.00 0.35 H new ATOM 0 HA3 GLY A 54 -13.303 -6.674 -6.682 1.00 0.35 H new ATOM 745 N VAL A 55 -10.994 -7.504 -5.140 1.00 0.27 N ATOM 746 CA VAL A 55 -9.822 -7.203 -4.270 1.00 0.24 C ATOM 747 C VAL A 55 -8.553 -7.166 -5.122 1.00 0.26 C ATOM 748 O VAL A 55 -7.829 -6.190 -5.133 1.00 0.30 O ATOM 749 CB VAL A 55 -9.765 -8.347 -3.257 1.00 0.28 C ATOM 750 CG1 VAL A 55 -8.549 -8.162 -2.347 1.00 0.31 C ATOM 751 CG2 VAL A 55 -11.040 -8.338 -2.412 1.00 0.28 C ATOM 0 H VAL A 55 -11.589 -8.268 -4.819 1.00 0.27 H new ATOM 0 HA VAL A 55 -9.906 -6.238 -3.771 1.00 0.24 H new ATOM 0 HB VAL A 55 -9.682 -9.298 -3.784 1.00 0.28 H new ATOM 0 HG11 VAL A 55 -8.508 -8.977 -1.625 1.00 0.31 H new ATOM 0 HG12 VAL A 55 -7.640 -8.164 -2.949 1.00 0.31 H new ATOM 0 HG13 VAL A 55 -8.631 -7.212 -1.818 1.00 0.31 H new ATOM 0 HG21 VAL A 55 -11.003 -9.152 -1.689 1.00 0.28 H new ATOM 0 HG22 VAL A 55 -11.120 -7.388 -1.885 1.00 0.28 H new ATOM 0 HG23 VAL A 55 -11.907 -8.468 -3.060 1.00 0.28 H new ATOM 761 N ALA A 56 -8.281 -8.219 -5.843 1.00 0.32 N ATOM 762 CA ALA A 56 -7.063 -8.237 -6.699 1.00 0.36 C ATOM 763 C ALA A 56 -7.084 -7.023 -7.630 1.00 0.38 C ATOM 764 O ALA A 56 -6.063 -6.591 -8.127 1.00 0.46 O ATOM 765 CB ALA A 56 -7.148 -9.538 -7.499 1.00 0.41 C ATOM 0 H ALA A 56 -8.849 -9.066 -5.876 1.00 0.32 H new ATOM 0 HA ALA A 56 -6.140 -8.190 -6.120 1.00 0.36 H new ATOM 0 HB1 ALA A 56 -6.281 -9.620 -8.154 1.00 0.41 H new ATOM 0 HB2 ALA A 56 -7.167 -10.386 -6.814 1.00 0.41 H new ATOM 0 HB3 ALA A 56 -8.058 -9.537 -8.100 1.00 0.41 H new ATOM 771 N ASP A 57 -8.241 -6.467 -7.864 1.00 0.37 N ATOM 772 CA ASP A 57 -8.331 -5.279 -8.758 1.00 0.40 C ATOM 773 C ASP A 57 -7.834 -4.040 -8.010 1.00 0.36 C ATOM 774 O ASP A 57 -7.227 -3.158 -8.584 1.00 0.50 O ATOM 775 CB ASP A 57 -9.815 -5.145 -9.104 1.00 0.45 C ATOM 776 CG ASP A 57 -9.978 -4.416 -10.438 1.00 0.93 C ATOM 777 OD1 ASP A 57 -9.443 -4.898 -11.423 1.00 1.57 O ATOM 778 OD2 ASP A 57 -10.636 -3.389 -10.453 1.00 1.66 O ATOM 0 H ASP A 57 -9.128 -6.785 -7.474 1.00 0.37 H new ATOM 0 HA ASP A 57 -7.722 -5.383 -9.656 1.00 0.40 H new ATOM 0 HB2 ASP A 57 -10.274 -6.132 -9.161 1.00 0.45 H new ATOM 0 HB3 ASP A 57 -10.333 -4.598 -8.316 1.00 0.45 H new ATOM 783 N LEU A 58 -8.083 -3.968 -6.730 1.00 0.28 N ATOM 784 CA LEU A 58 -7.621 -2.787 -5.948 1.00 0.27 C ATOM 785 C LEU A 58 -6.166 -2.995 -5.523 1.00 0.26 C ATOM 786 O LEU A 58 -5.294 -2.220 -5.861 1.00 0.29 O ATOM 787 CB LEU A 58 -8.540 -2.719 -4.726 1.00 0.31 C ATOM 788 CG LEU A 58 -9.630 -1.670 -4.961 1.00 0.18 C ATOM 789 CD1 LEU A 58 -10.511 -1.558 -3.717 1.00 0.26 C ATOM 790 CD2 LEU A 58 -8.985 -0.313 -5.244 1.00 0.41 C ATOM 0 H LEU A 58 -8.586 -4.675 -6.194 1.00 0.28 H new ATOM 0 HA LEU A 58 -7.663 -1.863 -6.524 1.00 0.27 H new ATOM 0 HB2 LEU A 58 -8.992 -3.694 -4.544 1.00 0.31 H new ATOM 0 HB3 LEU A 58 -7.962 -2.465 -3.837 1.00 0.31 H new ATOM 0 HG LEU A 58 -10.238 -1.971 -5.814 1.00 0.18 H new ATOM 0 HD11 LEU A 58 -11.286 -0.811 -3.886 1.00 0.26 H new ATOM 0 HD12 LEU A 58 -10.975 -2.523 -3.512 1.00 0.26 H new ATOM 0 HD13 LEU A 58 -9.901 -1.261 -2.864 1.00 0.26 H new ATOM 0 HD21 LEU A 58 -9.763 0.432 -5.411 1.00 0.41 H new ATOM 0 HD22 LEU A 58 -8.375 -0.015 -4.391 1.00 0.41 H new ATOM 0 HD23 LEU A 58 -8.357 -0.387 -6.132 1.00 0.41 H new ATOM 802 N GLY A 59 -5.896 -4.037 -4.783 1.00 0.26 N ATOM 803 CA GLY A 59 -4.496 -4.294 -4.338 1.00 0.29 C ATOM 804 C GLY A 59 -3.556 -4.201 -5.542 1.00 0.32 C ATOM 805 O GLY A 59 -2.565 -3.498 -5.514 1.00 0.48 O ATOM 0 H GLY A 59 -6.584 -4.721 -4.468 1.00 0.26 H new ATOM 0 HA2 GLY A 59 -4.205 -3.569 -3.578 1.00 0.29 H new ATOM 0 HA3 GLY A 59 -4.423 -5.281 -3.881 1.00 0.29 H new ATOM 809 N ALA A 60 -3.857 -4.902 -6.601 1.00 0.28 N ATOM 810 CA ALA A 60 -2.979 -4.848 -7.803 1.00 0.35 C ATOM 811 C ALA A 60 -2.777 -3.390 -8.222 1.00 0.36 C ATOM 812 O ALA A 60 -1.697 -2.987 -8.606 1.00 0.56 O ATOM 813 CB ALA A 60 -3.727 -5.625 -8.887 1.00 0.41 C ATOM 0 H ALA A 60 -4.672 -5.509 -6.685 1.00 0.28 H new ATOM 0 HA ALA A 60 -1.992 -5.274 -7.620 1.00 0.35 H new ATOM 0 HB1 ALA A 60 -3.139 -5.628 -9.804 1.00 0.41 H new ATOM 0 HB2 ALA A 60 -3.886 -6.651 -8.555 1.00 0.41 H new ATOM 0 HB3 ALA A 60 -4.690 -5.151 -9.075 1.00 0.41 H new ATOM 819 N LYS A 61 -3.809 -2.596 -8.148 1.00 0.27 N ATOM 820 CA LYS A 61 -3.678 -1.163 -8.538 1.00 0.34 C ATOM 821 C LYS A 61 -3.043 -0.377 -7.389 1.00 0.30 C ATOM 822 O LYS A 61 -2.369 0.612 -7.598 1.00 0.46 O ATOM 823 CB LYS A 61 -5.107 -0.684 -8.800 1.00 0.42 C ATOM 824 CG LYS A 61 -5.379 -0.687 -10.306 1.00 0.56 C ATOM 825 CD LYS A 61 -6.884 -0.571 -10.553 1.00 0.64 C ATOM 826 CE LYS A 61 -7.136 -0.228 -12.023 1.00 1.09 C ATOM 827 NZ LYS A 61 -8.544 0.255 -12.062 1.00 1.56 N ATOM 0 H LYS A 61 -4.738 -2.877 -7.834 1.00 0.27 H new ATOM 0 HA LYS A 61 -3.045 -1.023 -9.415 1.00 0.34 H new ATOM 0 HB2 LYS A 61 -5.819 -1.333 -8.290 1.00 0.42 H new ATOM 0 HB3 LYS A 61 -5.245 0.319 -8.397 1.00 0.42 H new ATOM 0 HG2 LYS A 61 -4.857 0.143 -10.782 1.00 0.56 H new ATOM 0 HG3 LYS A 61 -4.996 -1.604 -10.754 1.00 0.56 H new ATOM 0 HD2 LYS A 61 -7.378 -1.508 -10.298 1.00 0.64 H new ATOM 0 HD3 LYS A 61 -7.310 0.200 -9.911 1.00 0.64 H new ATOM 0 HE2 LYS A 61 -6.445 0.538 -12.375 1.00 1.09 H new ATOM 0 HE3 LYS A 61 -6.999 -1.100 -12.662 1.00 1.09 H new ATOM 0 HZ1 LYS A 61 -8.796 0.511 -13.038 1.00 1.56 H new ATOM 0 HZ2 LYS A 61 -9.179 -0.498 -11.727 1.00 1.56 H new ATOM 0 HZ3 LYS A 61 -8.642 1.089 -11.449 1.00 1.56 H new ATOM 841 N VAL A 62 -3.253 -0.810 -6.176 1.00 0.25 N ATOM 842 CA VAL A 62 -2.661 -0.089 -5.014 1.00 0.23 C ATOM 843 C VAL A 62 -1.166 -0.402 -4.924 1.00 0.21 C ATOM 844 O VAL A 62 -0.345 0.480 -4.771 1.00 0.24 O ATOM 845 CB VAL A 62 -3.404 -0.622 -3.788 1.00 0.25 C ATOM 846 CG1 VAL A 62 -2.937 0.128 -2.540 1.00 0.27 C ATOM 847 CG2 VAL A 62 -4.909 -0.413 -3.974 1.00 0.29 C ATOM 0 H VAL A 62 -3.809 -1.632 -5.940 1.00 0.25 H new ATOM 0 HA VAL A 62 -2.759 0.993 -5.098 1.00 0.23 H new ATOM 0 HB VAL A 62 -3.195 -1.685 -3.671 1.00 0.25 H new ATOM 0 HG11 VAL A 62 -3.467 -0.253 -1.667 1.00 0.27 H new ATOM 0 HG12 VAL A 62 -1.865 -0.020 -2.407 1.00 0.27 H new ATOM 0 HG13 VAL A 62 -3.145 1.192 -2.656 1.00 0.27 H new ATOM 0 HG21 VAL A 62 -5.440 -0.793 -3.101 1.00 0.29 H new ATOM 0 HG22 VAL A 62 -5.117 0.651 -4.091 1.00 0.29 H new ATOM 0 HG23 VAL A 62 -5.244 -0.948 -4.863 1.00 0.29 H new ATOM 857 N LEU A 63 -0.805 -1.653 -5.020 1.00 0.23 N ATOM 858 CA LEU A 63 0.638 -2.021 -4.942 1.00 0.24 C ATOM 859 C LEU A 63 1.447 -1.135 -5.891 1.00 0.20 C ATOM 860 O LEU A 63 2.465 -0.583 -5.524 1.00 0.25 O ATOM 861 CB LEU A 63 0.704 -3.485 -5.379 1.00 0.31 C ATOM 862 CG LEU A 63 1.006 -4.367 -4.166 1.00 0.69 C ATOM 863 CD1 LEU A 63 2.390 -4.022 -3.616 1.00 1.42 C ATOM 864 CD2 LEU A 63 -0.048 -4.121 -3.084 1.00 1.54 C ATOM 0 H LEU A 63 -1.446 -2.436 -5.149 1.00 0.23 H new ATOM 0 HA LEU A 63 1.051 -1.884 -3.942 1.00 0.24 H new ATOM 0 HB2 LEU A 63 -0.241 -3.783 -5.832 1.00 0.31 H new ATOM 0 HB3 LEU A 63 1.476 -3.615 -6.137 1.00 0.31 H new ATOM 0 HG LEU A 63 0.985 -5.415 -4.464 1.00 0.69 H new ATOM 0 HD11 LEU A 63 2.605 -4.650 -2.752 1.00 1.42 H new ATOM 0 HD12 LEU A 63 3.141 -4.195 -4.387 1.00 1.42 H new ATOM 0 HD13 LEU A 63 2.412 -2.974 -3.317 1.00 1.42 H new ATOM 0 HD21 LEU A 63 0.165 -4.749 -2.219 1.00 1.54 H new ATOM 0 HD22 LEU A 63 -0.026 -3.073 -2.786 1.00 1.54 H new ATOM 0 HD23 LEU A 63 -1.035 -4.366 -3.475 1.00 1.54 H new ATOM 876 N ALA A 64 1.004 -0.994 -7.111 1.00 0.23 N ATOM 877 CA ALA A 64 1.750 -0.144 -8.083 1.00 0.24 C ATOM 878 C ALA A 64 2.080 1.206 -7.440 1.00 0.23 C ATOM 879 O ALA A 64 3.199 1.675 -7.500 1.00 0.28 O ATOM 880 CB ALA A 64 0.804 0.037 -9.271 1.00 0.29 C ATOM 0 H ALA A 64 0.158 -1.431 -7.477 1.00 0.23 H new ATOM 0 HA ALA A 64 2.694 -0.593 -8.391 1.00 0.24 H new ATOM 0 HB1 ALA A 64 1.286 0.654 -10.029 1.00 0.29 H new ATOM 0 HB2 ALA A 64 0.563 -0.937 -9.696 1.00 0.29 H new ATOM 0 HB3 ALA A 64 -0.112 0.524 -8.936 1.00 0.29 H new ATOM 886 N GLN A 65 1.117 1.833 -6.821 1.00 0.22 N ATOM 887 CA GLN A 65 1.384 3.148 -6.173 1.00 0.23 C ATOM 888 C GLN A 65 2.610 3.027 -5.268 1.00 0.22 C ATOM 889 O GLN A 65 3.575 3.752 -5.413 1.00 0.28 O ATOM 890 CB GLN A 65 0.130 3.458 -5.353 1.00 0.25 C ATOM 891 CG GLN A 65 0.105 4.947 -5.002 1.00 0.58 C ATOM 892 CD GLN A 65 0.132 5.786 -6.280 1.00 0.71 C ATOM 893 OE1 GLN A 65 1.274 6.235 -6.728 1.00 1.73 O flip ATOM 894 NE2 GLN A 65 -0.895 6.036 -6.879 1.00 0.69 N flip ATOM 0 H GLN A 65 0.159 1.492 -6.736 1.00 0.22 H new ATOM 0 HA GLN A 65 1.589 3.939 -6.895 1.00 0.23 H new ATOM 0 HB2 GLN A 65 -0.763 3.192 -5.919 1.00 0.25 H new ATOM 0 HB3 GLN A 65 0.120 2.859 -4.443 1.00 0.25 H new ATOM 0 HG2 GLN A 65 -0.790 5.178 -4.424 1.00 0.58 H new ATOM 0 HG3 GLN A 65 0.962 5.196 -4.376 1.00 0.58 H new ATOM 0 HE21 GLN A 65 -1.787 5.686 -6.530 1.00 0.69 H new ATOM 0 HE22 GLN A 65 -0.865 6.596 -7.731 1.00 0.69 H new ATOM 903 N ILE A 66 2.586 2.112 -4.339 1.00 0.20 N ATOM 904 CA ILE A 66 3.756 1.942 -3.434 1.00 0.20 C ATOM 905 C ILE A 66 5.019 1.772 -4.280 1.00 0.20 C ATOM 906 O ILE A 66 6.075 2.271 -3.947 1.00 0.20 O ATOM 907 CB ILE A 66 3.462 0.678 -2.626 1.00 0.21 C ATOM 908 CG1 ILE A 66 2.205 0.897 -1.781 1.00 0.25 C ATOM 909 CG2 ILE A 66 4.646 0.371 -1.707 1.00 0.23 C ATOM 910 CD1 ILE A 66 1.932 -0.349 -0.937 1.00 0.69 C ATOM 0 H ILE A 66 1.808 1.476 -4.168 1.00 0.20 H new ATOM 0 HA ILE A 66 3.914 2.797 -2.777 1.00 0.20 H new ATOM 0 HB ILE A 66 3.304 -0.159 -3.306 1.00 0.21 H new ATOM 0 HG12 ILE A 66 2.335 1.765 -1.135 1.00 0.25 H new ATOM 0 HG13 ILE A 66 1.352 1.106 -2.427 1.00 0.25 H new ATOM 0 HG21 ILE A 66 4.436 -0.530 -1.131 1.00 0.23 H new ATOM 0 HG22 ILE A 66 5.542 0.217 -2.308 1.00 0.23 H new ATOM 0 HG23 ILE A 66 4.805 1.207 -1.026 1.00 0.23 H new ATOM 0 HD11 ILE A 66 1.037 -0.192 -0.336 1.00 0.69 H new ATOM 0 HD12 ILE A 66 1.783 -1.207 -1.593 1.00 0.69 H new ATOM 0 HD13 ILE A 66 2.782 -0.537 -0.281 1.00 0.69 H new ATOM 922 N GLY A 67 4.912 1.076 -5.380 1.00 0.23 N ATOM 923 CA GLY A 67 6.100 0.879 -6.258 1.00 0.25 C ATOM 924 C GLY A 67 6.619 2.246 -6.699 1.00 0.26 C ATOM 925 O GLY A 67 7.781 2.563 -6.537 1.00 0.29 O ATOM 0 H GLY A 67 4.053 0.635 -5.708 1.00 0.23 H new ATOM 0 HA2 GLY A 67 6.878 0.335 -5.723 1.00 0.25 H new ATOM 0 HA3 GLY A 67 5.831 0.279 -7.127 1.00 0.25 H new ATOM 929 N VAL A 68 5.764 3.062 -7.253 1.00 0.27 N ATOM 930 CA VAL A 68 6.207 4.411 -7.701 1.00 0.31 C ATOM 931 C VAL A 68 6.624 5.235 -6.482 1.00 0.30 C ATOM 932 O VAL A 68 7.405 6.160 -6.580 1.00 0.36 O ATOM 933 CB VAL A 68 4.988 5.031 -8.385 1.00 0.34 C ATOM 934 CG1 VAL A 68 5.325 6.452 -8.841 1.00 0.38 C ATOM 935 CG2 VAL A 68 4.602 4.186 -9.601 1.00 0.39 C ATOM 0 H VAL A 68 4.779 2.852 -7.414 1.00 0.27 H new ATOM 0 HA VAL A 68 7.061 4.371 -8.377 1.00 0.31 H new ATOM 0 HB VAL A 68 4.155 5.062 -7.683 1.00 0.34 H new ATOM 0 HG11 VAL A 68 4.456 6.893 -9.329 1.00 0.38 H new ATOM 0 HG12 VAL A 68 5.602 7.056 -7.977 1.00 0.38 H new ATOM 0 HG13 VAL A 68 6.158 6.421 -9.543 1.00 0.38 H new ATOM 0 HG21 VAL A 68 3.733 4.627 -10.089 1.00 0.39 H new ATOM 0 HG22 VAL A 68 5.436 4.155 -10.302 1.00 0.39 H new ATOM 0 HG23 VAL A 68 4.362 3.173 -9.279 1.00 0.39 H new ATOM 945 N ALA A 69 6.107 4.902 -5.331 1.00 0.26 N ATOM 946 CA ALA A 69 6.470 5.660 -4.102 1.00 0.27 C ATOM 947 C ALA A 69 7.755 5.080 -3.506 1.00 0.28 C ATOM 948 O ALA A 69 8.455 5.734 -2.759 1.00 0.36 O ATOM 949 CB ALA A 69 5.292 5.466 -3.146 1.00 0.26 C ATOM 0 H ALA A 69 5.448 4.136 -5.189 1.00 0.26 H new ATOM 0 HA ALA A 69 6.652 6.717 -4.299 1.00 0.27 H new ATOM 0 HB1 ALA A 69 5.488 5.998 -2.215 1.00 0.26 H new ATOM 0 HB2 ALA A 69 4.384 5.858 -3.604 1.00 0.26 H new ATOM 0 HB3 ALA A 69 5.164 4.404 -2.937 1.00 0.26 H new ATOM 955 N VAL A 70 8.070 3.855 -3.831 1.00 0.28 N ATOM 956 CA VAL A 70 9.310 3.236 -3.283 1.00 0.29 C ATOM 957 C VAL A 70 10.537 3.900 -3.915 1.00 0.33 C ATOM 958 O VAL A 70 11.634 3.817 -3.400 1.00 0.40 O ATOM 959 CB VAL A 70 9.224 1.756 -3.671 1.00 0.33 C ATOM 960 CG1 VAL A 70 10.573 1.075 -3.421 1.00 0.37 C ATOM 961 CG2 VAL A 70 8.149 1.072 -2.824 1.00 0.37 C ATOM 0 H VAL A 70 7.523 3.258 -4.451 1.00 0.28 H new ATOM 0 HA VAL A 70 9.401 3.358 -2.204 1.00 0.29 H new ATOM 0 HB VAL A 70 8.969 1.675 -4.728 1.00 0.33 H new ATOM 0 HG11 VAL A 70 10.506 0.023 -3.698 1.00 0.37 H new ATOM 0 HG12 VAL A 70 11.342 1.561 -4.021 1.00 0.37 H new ATOM 0 HG13 VAL A 70 10.831 1.156 -2.365 1.00 0.37 H new ATOM 0 HG21 VAL A 70 8.085 0.019 -3.098 1.00 0.37 H new ATOM 0 HG22 VAL A 70 8.408 1.158 -1.769 1.00 0.37 H new ATOM 0 HG23 VAL A 70 7.186 1.552 -3.001 1.00 0.37 H new ATOM 971 N SER A 71 10.363 4.552 -5.033 1.00 0.40 N ATOM 972 CA SER A 71 11.521 5.212 -5.701 1.00 0.50 C ATOM 973 C SER A 71 11.673 6.650 -5.192 1.00 0.51 C ATOM 974 O SER A 71 12.114 7.524 -5.911 1.00 0.88 O ATOM 975 CB SER A 71 11.183 5.200 -7.192 1.00 0.64 C ATOM 976 OG SER A 71 11.214 3.861 -7.669 1.00 1.47 O ATOM 0 H SER A 71 9.469 4.656 -5.512 1.00 0.40 H new ATOM 0 HA SER A 71 12.462 4.701 -5.497 1.00 0.50 H new ATOM 0 HB2 SER A 71 10.197 5.634 -7.357 1.00 0.64 H new ATOM 0 HB3 SER A 71 11.897 5.812 -7.744 1.00 0.64 H new ATOM 0 HG SER A 71 10.996 3.849 -8.624 1.00 1.47 H new ATOM 982 N HIS A 72 11.312 6.908 -3.964 1.00 0.51 N ATOM 983 CA HIS A 72 11.441 8.295 -3.432 1.00 0.55 C ATOM 984 C HIS A 72 11.457 8.274 -1.900 1.00 0.71 C ATOM 985 O HIS A 72 12.246 8.951 -1.279 1.00 1.69 O ATOM 986 CB HIS A 72 10.208 9.037 -3.949 1.00 0.68 C ATOM 987 CG HIS A 72 10.480 9.567 -5.329 1.00 0.82 C ATOM 988 ND1 HIS A 72 11.712 10.088 -5.694 1.00 1.11 N ATOM 989 CD2 HIS A 72 9.687 9.665 -6.445 1.00 0.99 C ATOM 990 CE1 HIS A 72 11.625 10.472 -6.980 1.00 1.30 C ATOM 991 NE2 HIS A 72 10.412 10.236 -7.487 1.00 1.20 N ATOM 0 H HIS A 72 10.935 6.223 -3.309 1.00 0.51 H new ATOM 0 HA HIS A 72 12.366 8.776 -3.752 1.00 0.55 H new ATOM 0 HB2 HIS A 72 9.349 8.366 -3.969 1.00 0.68 H new ATOM 0 HB3 HIS A 72 9.956 9.857 -3.277 1.00 0.68 H new ATOM 0 HD2 HIS A 72 8.657 9.347 -6.505 1.00 0.99 H new ATOM 0 HE1 HIS A 72 12.437 10.917 -7.535 1.00 1.30 H new ATOM 0 HE2 HIS A 72 10.087 10.432 -8.434 1.00 1.20 H new ATOM 1000 N LEU A 73 10.595 7.493 -1.299 1.00 0.59 N ATOM 1001 CA LEU A 73 10.537 7.401 0.189 1.00 0.57 C ATOM 1002 C LEU A 73 10.654 8.792 0.823 1.00 0.73 C ATOM 1003 O LEU A 73 9.667 9.456 1.071 1.00 1.05 O ATOM 1004 CB LEU A 73 11.717 6.512 0.575 1.00 0.65 C ATOM 1005 CG LEU A 73 11.320 5.044 0.413 1.00 0.59 C ATOM 1006 CD1 LEU A 73 10.217 4.697 1.414 1.00 1.13 C ATOM 1007 CD2 LEU A 73 10.811 4.798 -1.009 1.00 0.95 C ATOM 0 H LEU A 73 9.918 6.906 -1.787 1.00 0.59 H new ATOM 0 HA LEU A 73 9.591 6.989 0.542 1.00 0.57 H new ATOM 0 HB2 LEU A 73 12.578 6.739 -0.053 1.00 0.65 H new ATOM 0 HB3 LEU A 73 12.013 6.709 1.605 1.00 0.65 H new ATOM 0 HG LEU A 73 12.192 4.416 0.598 1.00 0.59 H new ATOM 0 HD11 LEU A 73 9.935 3.651 1.297 1.00 1.13 H new ATOM 0 HD12 LEU A 73 10.580 4.864 2.428 1.00 1.13 H new ATOM 0 HD13 LEU A 73 9.348 5.329 1.231 1.00 1.13 H new ATOM 0 HD21 LEU A 73 10.530 3.751 -1.119 1.00 0.95 H new ATOM 0 HD22 LEU A 73 9.943 5.429 -1.199 1.00 0.95 H new ATOM 0 HD23 LEU A 73 11.598 5.039 -1.724 1.00 0.95 H new ATOM 1019 N GLY A 74 11.849 9.235 1.087 1.00 0.76 N ATOM 1020 CA GLY A 74 12.030 10.579 1.705 1.00 0.98 C ATOM 1021 C GLY A 74 11.804 11.656 0.643 1.00 0.94 C ATOM 1022 O GLY A 74 11.398 12.762 0.942 1.00 1.12 O ATOM 0 H GLY A 74 12.712 8.724 0.902 1.00 0.76 H new ATOM 0 HA2 GLY A 74 11.329 10.711 2.529 1.00 0.98 H new ATOM 0 HA3 GLY A 74 13.033 10.668 2.123 1.00 0.98 H new ATOM 1026 N ASP A 75 12.064 11.343 -0.596 1.00 0.79 N ATOM 1027 CA ASP A 75 11.864 12.350 -1.677 1.00 0.89 C ATOM 1028 C ASP A 75 10.378 12.699 -1.785 1.00 0.97 C ATOM 1029 O ASP A 75 9.636 12.079 -2.521 1.00 1.24 O ATOM 1030 CB ASP A 75 12.355 11.670 -2.956 1.00 1.07 C ATOM 1031 CG ASP A 75 12.598 12.716 -4.046 1.00 1.53 C ATOM 1032 OD1 ASP A 75 11.633 13.134 -4.664 1.00 2.15 O ATOM 1033 OD2 ASP A 75 13.745 13.081 -4.243 1.00 2.05 O ATOM 0 H ASP A 75 12.406 10.434 -0.907 1.00 0.79 H new ATOM 0 HA ASP A 75 12.401 13.279 -1.488 1.00 0.89 H new ATOM 0 HB2 ASP A 75 13.275 11.121 -2.755 1.00 1.07 H new ATOM 0 HB3 ASP A 75 11.618 10.943 -3.297 1.00 1.07 H new ATOM 1038 N GLU A 76 9.937 13.688 -1.056 1.00 1.33 N ATOM 1039 CA GLU A 76 8.499 14.075 -1.118 1.00 1.59 C ATOM 1040 C GLU A 76 8.318 15.223 -2.114 1.00 1.51 C ATOM 1041 O GLU A 76 7.375 15.984 -2.034 1.00 1.98 O ATOM 1042 CB GLU A 76 8.142 14.525 0.300 1.00 2.30 C ATOM 1043 CG GLU A 76 8.182 13.321 1.243 1.00 2.80 C ATOM 1044 CD GLU A 76 8.223 13.797 2.697 1.00 3.54 C ATOM 1045 OE1 GLU A 76 9.267 14.269 3.116 1.00 4.09 O ATOM 1046 OE2 GLU A 76 7.210 13.681 3.366 1.00 3.95 O ATOM 0 H GLU A 76 10.510 14.244 -0.421 1.00 1.33 H new ATOM 0 HA GLU A 76 7.860 13.257 -1.449 1.00 1.59 H new ATOM 0 HB2 GLU A 76 8.843 15.288 0.638 1.00 2.30 H new ATOM 0 HB3 GLU A 76 7.150 14.976 0.311 1.00 2.30 H new ATOM 0 HG2 GLU A 76 7.306 12.693 1.082 1.00 2.80 H new ATOM 0 HG3 GLU A 76 9.057 12.708 1.027 1.00 2.80 H new ATOM 1053 N GLY A 77 9.215 15.352 -3.053 1.00 1.35 N ATOM 1054 CA GLY A 77 9.093 16.450 -4.054 1.00 1.77 C ATOM 1055 C GLY A 77 8.049 16.060 -5.102 1.00 1.55 C ATOM 1056 O GLY A 77 7.286 16.882 -5.567 1.00 1.97 O ATOM 0 H GLY A 77 10.026 14.745 -3.170 1.00 1.35 H new ATOM 0 HA2 GLY A 77 8.802 17.377 -3.561 1.00 1.77 H new ATOM 0 HA3 GLY A 77 10.056 16.631 -4.532 1.00 1.77 H new ATOM 1060 N LYS A 78 8.010 14.810 -5.477 1.00 1.09 N ATOM 1061 CA LYS A 78 7.015 14.369 -6.495 1.00 1.02 C ATOM 1062 C LYS A 78 6.249 13.151 -5.974 1.00 0.83 C ATOM 1063 O LYS A 78 5.064 13.006 -6.205 1.00 0.87 O ATOM 1064 CB LYS A 78 7.837 14.005 -7.732 1.00 1.23 C ATOM 1065 CG LYS A 78 6.927 13.347 -8.772 1.00 1.39 C ATOM 1066 CD LYS A 78 7.655 13.276 -10.116 1.00 1.71 C ATOM 1067 CE LYS A 78 8.300 11.898 -10.276 1.00 2.21 C ATOM 1068 NZ LYS A 78 7.257 11.069 -10.941 1.00 2.77 N ATOM 0 H LYS A 78 8.624 14.076 -5.123 1.00 1.09 H new ATOM 0 HA LYS A 78 6.278 15.140 -6.719 1.00 1.02 H new ATOM 0 HB2 LYS A 78 8.299 14.899 -8.151 1.00 1.23 H new ATOM 0 HB3 LYS A 78 8.645 13.326 -7.458 1.00 1.23 H new ATOM 0 HG2 LYS A 78 6.648 12.346 -8.445 1.00 1.39 H new ATOM 0 HG3 LYS A 78 6.004 13.918 -8.876 1.00 1.39 H new ATOM 0 HD2 LYS A 78 6.954 13.458 -10.931 1.00 1.71 H new ATOM 0 HD3 LYS A 78 8.416 14.054 -10.171 1.00 1.71 H new ATOM 0 HE2 LYS A 78 9.207 11.952 -10.879 1.00 2.21 H new ATOM 0 HE3 LYS A 78 8.584 11.479 -9.311 1.00 2.21 H new ATOM 0 HZ1 LYS A 78 7.638 10.121 -11.134 1.00 2.77 H new ATOM 0 HZ2 LYS A 78 6.428 10.989 -10.318 1.00 2.77 H new ATOM 0 HZ3 LYS A 78 6.976 11.517 -11.836 1.00 2.77 H new ATOM 1082 N MET A 79 6.913 12.271 -5.273 1.00 0.71 N ATOM 1083 CA MET A 79 6.220 11.063 -4.739 1.00 0.67 C ATOM 1084 C MET A 79 4.916 11.478 -4.054 1.00 0.51 C ATOM 1085 O MET A 79 3.866 10.921 -4.307 1.00 0.53 O ATOM 1086 CB MET A 79 7.193 10.453 -3.729 1.00 0.80 C ATOM 1087 CG MET A 79 6.524 9.272 -3.024 1.00 0.75 C ATOM 1088 SD MET A 79 7.694 8.518 -1.867 1.00 1.14 S ATOM 1089 CE MET A 79 7.650 9.826 -0.617 1.00 0.73 C ATOM 0 H MET A 79 7.906 12.337 -5.047 1.00 0.71 H new ATOM 0 HA MET A 79 5.960 10.351 -5.522 1.00 0.67 H new ATOM 0 HB2 MET A 79 8.099 10.122 -4.236 1.00 0.80 H new ATOM 0 HB3 MET A 79 7.493 11.204 -2.998 1.00 0.80 H new ATOM 0 HG2 MET A 79 5.635 9.609 -2.491 1.00 0.75 H new ATOM 0 HG3 MET A 79 6.196 8.536 -3.757 1.00 0.75 H new ATOM 0 HE1 MET A 79 8.557 10.426 -0.686 1.00 0.73 H new ATOM 0 HE2 MET A 79 6.781 10.461 -0.786 1.00 0.73 H new ATOM 0 HE3 MET A 79 7.586 9.379 0.375 1.00 0.73 H new ATOM 1099 N VAL A 80 4.974 12.454 -3.191 1.00 0.50 N ATOM 1100 CA VAL A 80 3.737 12.906 -2.495 1.00 0.53 C ATOM 1101 C VAL A 80 2.820 13.614 -3.494 1.00 0.55 C ATOM 1102 O VAL A 80 1.627 13.720 -3.290 1.00 0.65 O ATOM 1103 CB VAL A 80 4.214 13.875 -1.413 1.00 0.67 C ATOM 1104 CG1 VAL A 80 3.015 14.354 -0.591 1.00 0.77 C ATOM 1105 CG2 VAL A 80 5.208 13.162 -0.493 1.00 0.77 C ATOM 0 H VAL A 80 5.824 12.958 -2.938 1.00 0.50 H new ATOM 0 HA VAL A 80 3.171 12.079 -2.065 1.00 0.53 H new ATOM 0 HB VAL A 80 4.699 14.731 -1.881 1.00 0.67 H new ATOM 0 HG11 VAL A 80 3.355 15.045 0.180 1.00 0.77 H new ATOM 0 HG12 VAL A 80 2.305 14.861 -1.245 1.00 0.77 H new ATOM 0 HG13 VAL A 80 2.530 13.498 -0.123 1.00 0.77 H new ATOM 0 HG21 VAL A 80 5.549 13.852 0.279 1.00 0.77 H new ATOM 0 HG22 VAL A 80 4.721 12.306 -0.025 1.00 0.77 H new ATOM 0 HG23 VAL A 80 6.063 12.820 -1.076 1.00 0.77 H new ATOM 1115 N ALA A 81 3.367 14.099 -4.576 1.00 0.58 N ATOM 1116 CA ALA A 81 2.525 14.799 -5.587 1.00 0.69 C ATOM 1117 C ALA A 81 1.447 13.844 -6.104 1.00 0.66 C ATOM 1118 O ALA A 81 0.296 14.208 -6.240 1.00 0.79 O ATOM 1119 CB ALA A 81 3.486 15.191 -6.711 1.00 0.84 C ATOM 0 H ALA A 81 4.360 14.041 -4.803 1.00 0.58 H new ATOM 0 HA ALA A 81 2.016 15.671 -5.177 1.00 0.69 H new ATOM 0 HB1 ALA A 81 2.936 15.713 -7.494 1.00 0.84 H new ATOM 0 HB2 ALA A 81 4.262 15.846 -6.315 1.00 0.84 H new ATOM 0 HB3 ALA A 81 3.946 14.294 -7.126 1.00 0.84 H new ATOM 1125 N GLU A 82 1.810 12.624 -6.391 1.00 0.57 N ATOM 1126 CA GLU A 82 0.805 11.647 -6.896 1.00 0.57 C ATOM 1127 C GLU A 82 0.067 11.015 -5.715 1.00 0.46 C ATOM 1128 O GLU A 82 -1.142 10.893 -5.719 1.00 0.50 O ATOM 1129 CB GLU A 82 1.613 10.595 -7.659 1.00 0.66 C ATOM 1130 CG GLU A 82 2.222 11.229 -8.911 1.00 1.09 C ATOM 1131 CD GLU A 82 3.190 10.249 -9.576 1.00 1.65 C ATOM 1132 OE1 GLU A 82 2.719 9.335 -10.233 1.00 2.37 O ATOM 1133 OE2 GLU A 82 4.386 10.429 -9.417 1.00 2.15 O ATOM 0 H GLU A 82 2.759 12.262 -6.298 1.00 0.57 H new ATOM 0 HA GLU A 82 0.054 12.111 -7.535 1.00 0.57 H new ATOM 0 HB2 GLU A 82 2.401 10.193 -7.022 1.00 0.66 H new ATOM 0 HB3 GLU A 82 0.971 9.759 -7.937 1.00 0.66 H new ATOM 0 HG2 GLU A 82 1.432 11.504 -9.610 1.00 1.09 H new ATOM 0 HG3 GLU A 82 2.746 12.147 -8.645 1.00 1.09 H new ATOM 1140 N MET A 83 0.784 10.613 -4.701 1.00 0.39 N ATOM 1141 CA MET A 83 0.119 9.992 -3.521 1.00 0.36 C ATOM 1142 C MET A 83 -0.871 10.987 -2.913 1.00 0.37 C ATOM 1143 O MET A 83 -2.014 10.662 -2.659 1.00 0.40 O ATOM 1144 CB MET A 83 1.250 9.678 -2.541 1.00 0.40 C ATOM 1145 CG MET A 83 2.038 8.467 -3.044 1.00 0.39 C ATOM 1146 SD MET A 83 2.227 7.268 -1.702 1.00 0.99 S ATOM 1147 CE MET A 83 0.472 6.879 -1.492 1.00 0.28 C ATOM 0 H MET A 83 1.799 10.688 -4.639 1.00 0.39 H new ATOM 0 HA MET A 83 -0.442 9.094 -3.778 1.00 0.36 H new ATOM 0 HB2 MET A 83 1.910 10.540 -2.443 1.00 0.40 H new ATOM 0 HB3 MET A 83 0.842 9.474 -1.551 1.00 0.40 H new ATOM 0 HG2 MET A 83 1.520 8.007 -3.886 1.00 0.39 H new ATOM 0 HG3 MET A 83 3.017 8.782 -3.405 1.00 0.39 H new ATOM 0 HE1 MET A 83 0.330 6.330 -0.561 1.00 0.28 H new ATOM 0 HE2 MET A 83 -0.104 7.804 -1.460 1.00 0.28 H new ATOM 0 HE3 MET A 83 0.132 6.269 -2.329 1.00 0.28 H new ATOM 1157 N LYS A 84 -0.446 12.200 -2.684 1.00 0.43 N ATOM 1158 CA LYS A 84 -1.371 13.212 -2.100 1.00 0.52 C ATOM 1159 C LYS A 84 -2.632 13.296 -2.961 1.00 0.53 C ATOM 1160 O LYS A 84 -3.724 13.483 -2.464 1.00 0.61 O ATOM 1161 CB LYS A 84 -0.600 14.533 -2.131 1.00 0.61 C ATOM 1162 CG LYS A 84 -1.385 15.600 -1.365 1.00 0.84 C ATOM 1163 CD LYS A 84 -1.969 16.613 -2.353 1.00 1.00 C ATOM 1164 CE LYS A 84 -2.120 17.971 -1.662 1.00 1.38 C ATOM 1165 NZ LYS A 84 -2.769 18.841 -2.682 1.00 2.00 N ATOM 0 H LYS A 84 0.499 12.533 -2.876 1.00 0.43 H new ATOM 0 HA LYS A 84 -1.683 12.963 -1.086 1.00 0.52 H new ATOM 0 HB2 LYS A 84 0.386 14.401 -1.685 1.00 0.61 H new ATOM 0 HB3 LYS A 84 -0.444 14.851 -3.162 1.00 0.61 H new ATOM 0 HG2 LYS A 84 -2.185 15.135 -0.790 1.00 0.84 H new ATOM 0 HG3 LYS A 84 -0.733 16.105 -0.653 1.00 0.84 H new ATOM 0 HD2 LYS A 84 -1.318 16.706 -3.223 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -2.937 16.267 -2.715 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -2.730 17.892 -0.762 1.00 1.38 H new ATOM 0 HE3 LYS A 84 -1.153 18.371 -1.358 1.00 1.38 H new ATOM 0 HZ1 LYS A 84 -2.909 19.793 -2.288 1.00 2.00 H new ATOM 0 HZ2 LYS A 84 -2.162 18.901 -3.524 1.00 2.00 H new ATOM 0 HZ3 LYS A 84 -3.690 18.437 -2.947 1.00 2.00 H new ATOM 1179 N ALA A 85 -2.488 13.154 -4.251 1.00 0.52 N ATOM 1180 CA ALA A 85 -3.679 13.218 -5.144 1.00 0.60 C ATOM 1181 C ALA A 85 -4.604 12.040 -4.838 1.00 0.57 C ATOM 1182 O ALA A 85 -5.810 12.179 -4.795 1.00 0.70 O ATOM 1183 CB ALA A 85 -3.123 13.118 -6.565 1.00 0.64 C ATOM 0 H ALA A 85 -1.598 12.997 -4.724 1.00 0.52 H new ATOM 0 HA ALA A 85 -4.259 14.131 -5.009 1.00 0.60 H new ATOM 0 HB1 ALA A 85 -3.944 13.158 -7.281 1.00 0.64 H new ATOM 0 HB2 ALA A 85 -2.441 13.948 -6.748 1.00 0.64 H new ATOM 0 HB3 ALA A 85 -2.587 12.176 -6.681 1.00 0.64 H new ATOM 1189 N VAL A 86 -4.047 10.879 -4.619 1.00 0.43 N ATOM 1190 CA VAL A 86 -4.895 9.694 -4.310 1.00 0.43 C ATOM 1191 C VAL A 86 -5.835 10.031 -3.151 1.00 0.44 C ATOM 1192 O VAL A 86 -7.030 9.829 -3.230 1.00 0.51 O ATOM 1193 CB VAL A 86 -3.917 8.588 -3.912 1.00 0.41 C ATOM 1194 CG1 VAL A 86 -4.677 7.273 -3.734 1.00 0.47 C ATOM 1195 CG2 VAL A 86 -2.863 8.422 -5.009 1.00 0.42 C ATOM 0 H VAL A 86 -3.043 10.701 -4.641 1.00 0.43 H new ATOM 0 HA VAL A 86 -5.514 9.389 -5.154 1.00 0.43 H new ATOM 0 HB VAL A 86 -3.429 8.855 -2.974 1.00 0.41 H new ATOM 0 HG11 VAL A 86 -3.979 6.485 -3.450 1.00 0.47 H new ATOM 0 HG12 VAL A 86 -5.429 7.390 -2.954 1.00 0.47 H new ATOM 0 HG13 VAL A 86 -5.165 7.005 -4.671 1.00 0.47 H new ATOM 0 HG21 VAL A 86 -2.165 7.634 -4.727 1.00 0.42 H new ATOM 0 HG22 VAL A 86 -3.352 8.155 -5.946 1.00 0.42 H new ATOM 0 HG23 VAL A 86 -2.320 9.359 -5.137 1.00 0.42 H new ATOM 1205 N GLY A 87 -5.304 10.550 -2.077 1.00 0.43 N ATOM 1206 CA GLY A 87 -6.170 10.906 -0.919 1.00 0.47 C ATOM 1207 C GLY A 87 -7.311 11.796 -1.411 1.00 0.51 C ATOM 1208 O GLY A 87 -8.471 11.530 -1.165 1.00 0.51 O ATOM 0 H GLY A 87 -4.310 10.742 -1.952 1.00 0.43 H new ATOM 0 HA2 GLY A 87 -6.569 10.004 -0.455 1.00 0.47 H new ATOM 0 HA3 GLY A 87 -5.588 11.426 -0.158 1.00 0.47 H new ATOM 1212 N VAL A 88 -6.991 12.850 -2.112 1.00 0.58 N ATOM 1213 CA VAL A 88 -8.058 13.753 -2.628 1.00 0.65 C ATOM 1214 C VAL A 88 -9.103 12.924 -3.377 1.00 0.61 C ATOM 1215 O VAL A 88 -10.262 13.283 -3.448 1.00 0.68 O ATOM 1216 CB VAL A 88 -7.347 14.718 -3.578 1.00 0.76 C ATOM 1217 CG1 VAL A 88 -8.379 15.614 -4.264 1.00 0.82 C ATOM 1218 CG2 VAL A 88 -6.369 15.586 -2.782 1.00 0.83 C ATOM 0 H VAL A 88 -6.038 13.124 -2.349 1.00 0.58 H new ATOM 0 HA VAL A 88 -8.576 14.290 -1.833 1.00 0.65 H new ATOM 0 HB VAL A 88 -6.802 14.150 -4.332 1.00 0.76 H new ATOM 0 HG11 VAL A 88 -7.871 16.301 -4.941 1.00 0.82 H new ATOM 0 HG12 VAL A 88 -9.077 14.997 -4.830 1.00 0.82 H new ATOM 0 HG13 VAL A 88 -8.925 16.183 -3.511 1.00 0.82 H new ATOM 0 HG21 VAL A 88 -5.861 16.275 -3.457 1.00 0.83 H new ATOM 0 HG22 VAL A 88 -6.916 16.153 -2.029 1.00 0.83 H new ATOM 0 HG23 VAL A 88 -5.633 14.949 -2.292 1.00 0.83 H new ATOM 1228 N ARG A 89 -8.701 11.814 -3.932 1.00 0.55 N ATOM 1229 CA ARG A 89 -9.670 10.956 -4.671 1.00 0.55 C ATOM 1230 C ARG A 89 -10.433 10.084 -3.672 1.00 0.45 C ATOM 1231 O ARG A 89 -11.635 9.931 -3.757 1.00 0.56 O ATOM 1232 CB ARG A 89 -8.817 10.096 -5.605 1.00 0.59 C ATOM 1233 CG ARG A 89 -7.953 10.999 -6.488 1.00 0.84 C ATOM 1234 CD ARG A 89 -8.771 11.471 -7.692 1.00 0.81 C ATOM 1235 NE ARG A 89 -8.587 10.422 -8.732 1.00 1.21 N ATOM 1236 CZ ARG A 89 -8.572 10.750 -9.995 1.00 1.64 C ATOM 1237 NH1 ARG A 89 -7.870 11.775 -10.394 1.00 2.25 N ATOM 1238 NH2 ARG A 89 -9.259 10.054 -10.859 1.00 2.12 N ATOM 0 H ARG A 89 -7.743 11.464 -3.906 1.00 0.55 H new ATOM 0 HA ARG A 89 -10.406 11.534 -5.230 1.00 0.55 H new ATOM 0 HB2 ARG A 89 -8.184 9.427 -5.023 1.00 0.59 H new ATOM 0 HB3 ARG A 89 -9.458 9.469 -6.225 1.00 0.59 H new ATOM 0 HG2 ARG A 89 -7.602 11.857 -5.915 1.00 0.84 H new ATOM 0 HG3 ARG A 89 -7.069 10.457 -6.825 1.00 0.84 H new ATOM 0 HD2 ARG A 89 -9.823 11.585 -7.431 1.00 0.81 H new ATOM 0 HD3 ARG A 89 -8.423 12.441 -8.047 1.00 0.81 H new ATOM 0 HE ARG A 89 -8.473 9.446 -8.457 1.00 1.21 H new ATOM 0 HH11 ARG A 89 -7.333 12.319 -9.719 1.00 2.25 H new ATOM 0 HH12 ARG A 89 -7.858 12.032 -11.381 1.00 2.25 H new ATOM 0 HH21 ARG A 89 -9.808 9.253 -10.547 1.00 2.12 H new ATOM 0 HH22 ARG A 89 -9.247 10.311 -11.846 1.00 2.12 H new ATOM 1252 N HIS A 90 -9.741 9.516 -2.722 1.00 0.35 N ATOM 1253 CA HIS A 90 -10.423 8.658 -1.713 1.00 0.35 C ATOM 1254 C HIS A 90 -11.516 9.469 -1.010 1.00 0.43 C ATOM 1255 O HIS A 90 -12.629 9.013 -0.840 1.00 0.70 O ATOM 1256 CB HIS A 90 -9.324 8.248 -0.727 1.00 0.31 C ATOM 1257 CG HIS A 90 -8.627 7.011 -1.231 1.00 0.25 C ATOM 1258 ND1 HIS A 90 -7.832 7.023 -2.364 1.00 0.30 N ATOM 1259 CD2 HIS A 90 -8.594 5.719 -0.764 1.00 0.21 C ATOM 1260 CE1 HIS A 90 -7.360 5.775 -2.541 1.00 0.26 C ATOM 1261 NE2 HIS A 90 -7.792 4.935 -1.594 1.00 0.18 N ATOM 0 H HIS A 90 -8.732 9.609 -2.601 1.00 0.35 H new ATOM 0 HA HIS A 90 -10.904 7.786 -2.156 1.00 0.35 H new ATOM 0 HB2 HIS A 90 -8.606 9.060 -0.609 1.00 0.31 H new ATOM 0 HB3 HIS A 90 -9.756 8.059 0.256 1.00 0.31 H new ATOM 0 HD1 HIS A 90 -7.639 7.830 -2.957 1.00 0.30 H new ATOM 0 HD2 HIS A 90 -9.112 5.363 0.115 1.00 0.21 H new ATOM 0 HE1 HIS A 90 -6.709 5.486 -3.353 1.00 0.26 H new ATOM 1269 N LYS A 91 -11.208 10.669 -0.600 1.00 0.45 N ATOM 1270 CA LYS A 91 -12.229 11.507 0.093 1.00 0.54 C ATOM 1271 C LYS A 91 -13.466 11.663 -0.798 1.00 0.64 C ATOM 1272 O LYS A 91 -14.538 11.996 -0.332 1.00 0.95 O ATOM 1273 CB LYS A 91 -11.552 12.859 0.324 1.00 0.72 C ATOM 1274 CG LYS A 91 -11.272 13.530 -1.022 1.00 0.94 C ATOM 1275 CD LYS A 91 -11.979 14.886 -1.074 1.00 1.17 C ATOM 1276 CE LYS A 91 -10.953 16.005 -0.882 1.00 1.24 C ATOM 1277 NZ LYS A 91 -11.257 16.984 -1.962 1.00 1.66 N ATOM 0 H LYS A 91 -10.294 11.106 -0.715 1.00 0.45 H new ATOM 0 HA LYS A 91 -12.564 11.063 1.030 1.00 0.54 H new ATOM 0 HB2 LYS A 91 -12.191 13.497 0.934 1.00 0.72 H new ATOM 0 HB3 LYS A 91 -10.621 12.722 0.874 1.00 0.72 H new ATOM 0 HG2 LYS A 91 -10.199 13.662 -1.158 1.00 0.94 H new ATOM 0 HG3 LYS A 91 -11.621 12.895 -1.836 1.00 0.94 H new ATOM 0 HD2 LYS A 91 -12.489 15.006 -2.030 1.00 1.17 H new ATOM 0 HD3 LYS A 91 -12.742 14.940 -0.297 1.00 1.17 H new ATOM 0 HE2 LYS A 91 -11.044 16.461 0.104 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -9.934 15.627 -0.965 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -10.596 17.785 -1.901 1.00 1.66 H new ATOM 0 HZ2 LYS A 91 -11.156 16.522 -2.888 1.00 1.66 H new ATOM 0 HZ3 LYS A 91 -12.232 17.330 -1.852 1.00 1.66 H new ATOM 1291 N GLY A 92 -13.329 11.424 -2.074 1.00 0.67 N ATOM 1292 CA GLY A 92 -14.499 11.558 -2.988 1.00 0.88 C ATOM 1293 C GLY A 92 -14.892 10.172 -3.500 1.00 0.74 C ATOM 1294 O GLY A 92 -15.265 10.002 -4.644 1.00 0.97 O ATOM 0 H GLY A 92 -12.458 11.142 -2.523 1.00 0.67 H new ATOM 0 HA2 GLY A 92 -15.337 12.017 -2.463 1.00 0.88 H new ATOM 0 HA3 GLY A 92 -14.251 12.212 -3.824 1.00 0.88 H new ATOM 1298 N TYR A 93 -14.806 9.178 -2.660 1.00 0.53 N ATOM 1299 CA TYR A 93 -15.168 7.798 -3.092 1.00 0.56 C ATOM 1300 C TYR A 93 -16.662 7.554 -2.866 1.00 0.54 C ATOM 1301 O TYR A 93 -17.429 8.476 -2.670 1.00 0.77 O ATOM 1302 CB TYR A 93 -14.321 6.874 -2.209 1.00 0.71 C ATOM 1303 CG TYR A 93 -12.956 6.636 -2.836 1.00 0.92 C ATOM 1304 CD1 TYR A 93 -12.497 7.437 -3.897 1.00 1.60 C ATOM 1305 CD2 TYR A 93 -12.147 5.603 -2.349 1.00 1.54 C ATOM 1306 CE1 TYR A 93 -11.238 7.202 -4.461 1.00 1.80 C ATOM 1307 CE2 TYR A 93 -10.887 5.370 -2.914 1.00 1.74 C ATOM 1308 CZ TYR A 93 -10.433 6.169 -3.969 1.00 1.47 C ATOM 1309 OH TYR A 93 -9.191 5.937 -4.525 1.00 1.77 O ATOM 0 H TYR A 93 -14.500 9.262 -1.691 1.00 0.53 H new ATOM 0 HA TYR A 93 -14.979 7.627 -4.152 1.00 0.56 H new ATOM 0 HB2 TYR A 93 -14.201 7.317 -1.220 1.00 0.71 H new ATOM 0 HB3 TYR A 93 -14.835 5.923 -2.071 1.00 0.71 H new ATOM 0 HD1 TYR A 93 -13.117 8.235 -4.277 1.00 1.60 H new ATOM 0 HD2 TYR A 93 -12.495 4.984 -1.535 1.00 1.54 H new ATOM 0 HE1 TYR A 93 -10.888 7.818 -5.276 1.00 1.80 H new ATOM 0 HE2 TYR A 93 -10.265 4.573 -2.535 1.00 1.74 H new ATOM 0 HH TYR A 93 -8.823 6.779 -4.866 1.00 1.77 H new ATOM 1319 N GLY A 94 -17.083 6.318 -2.902 1.00 0.48 N ATOM 1320 CA GLY A 94 -18.528 6.015 -2.700 1.00 0.58 C ATOM 1321 C GLY A 94 -18.809 5.813 -1.209 1.00 0.56 C ATOM 1322 O GLY A 94 -19.768 6.334 -0.675 1.00 0.69 O ATOM 0 H GLY A 94 -16.488 5.505 -3.063 1.00 0.48 H new ATOM 0 HA2 GLY A 94 -19.138 6.831 -3.088 1.00 0.58 H new ATOM 0 HA3 GLY A 94 -18.803 5.119 -3.256 1.00 0.58 H new ATOM 1326 N ASN A 95 -17.987 5.059 -0.531 1.00 0.50 N ATOM 1327 CA ASN A 95 -18.222 4.831 0.923 1.00 0.52 C ATOM 1328 C ASN A 95 -18.216 6.177 1.654 1.00 0.53 C ATOM 1329 O ASN A 95 -18.892 6.361 2.647 1.00 0.57 O ATOM 1330 CB ASN A 95 -17.071 3.926 1.387 1.00 0.57 C ATOM 1331 CG ASN A 95 -15.776 4.729 1.546 1.00 0.74 C ATOM 1332 OD1 ASN A 95 -15.051 4.561 2.619 1.00 1.83 O flip ATOM 1333 ND2 ASN A 95 -15.423 5.513 0.688 1.00 0.47 N flip ATOM 0 H ASN A 95 -17.167 4.593 -0.919 1.00 0.50 H new ATOM 0 HA ASN A 95 -19.185 4.363 1.130 1.00 0.52 H new ATOM 0 HB2 ASN A 95 -17.332 3.457 2.336 1.00 0.57 H new ATOM 0 HB3 ASN A 95 -16.920 3.123 0.665 1.00 0.57 H new ATOM 0 HD21 ASN A 95 -15.991 5.643 -0.149 1.00 0.47 H new ATOM 0 HD22 ASN A 95 -14.559 6.042 0.805 1.00 0.47 H new ATOM 1340 N LYS A 96 -17.459 7.121 1.162 1.00 0.54 N ATOM 1341 CA LYS A 96 -17.404 8.463 1.812 1.00 0.59 C ATOM 1342 C LYS A 96 -16.835 8.334 3.226 1.00 0.69 C ATOM 1343 O LYS A 96 -17.179 9.085 4.117 1.00 1.20 O ATOM 1344 CB LYS A 96 -18.851 8.964 1.851 1.00 0.62 C ATOM 1345 CG LYS A 96 -18.911 10.393 1.307 1.00 1.13 C ATOM 1346 CD LYS A 96 -18.737 10.368 -0.213 1.00 1.54 C ATOM 1347 CE LYS A 96 -18.256 11.739 -0.694 1.00 2.41 C ATOM 1348 NZ LYS A 96 -19.501 12.535 -0.871 1.00 2.97 N ATOM 0 H LYS A 96 -16.873 7.020 0.333 1.00 0.54 H new ATOM 0 HA LYS A 96 -16.761 9.156 1.269 1.00 0.59 H new ATOM 0 HB2 LYS A 96 -19.490 8.310 1.257 1.00 0.62 H new ATOM 0 HB3 LYS A 96 -19.229 8.936 2.873 1.00 0.62 H new ATOM 0 HG2 LYS A 96 -19.864 10.853 1.567 1.00 1.13 H new ATOM 0 HG3 LYS A 96 -18.129 11.000 1.763 1.00 1.13 H new ATOM 0 HD2 LYS A 96 -18.018 9.599 -0.495 1.00 1.54 H new ATOM 0 HD3 LYS A 96 -19.681 10.113 -0.694 1.00 1.54 H new ATOM 0 HE2 LYS A 96 -17.590 12.203 0.033 1.00 2.41 H new ATOM 0 HE3 LYS A 96 -17.701 11.659 -1.629 1.00 2.41 H new ATOM 0 HZ1 LYS A 96 -19.258 13.491 -1.200 1.00 2.97 H new ATOM 0 HZ2 LYS A 96 -20.112 12.072 -1.574 1.00 2.97 H new ATOM 0 HZ3 LYS A 96 -20.004 12.599 0.037 1.00 2.97 H new ATOM 1362 N HIS A 97 -15.956 7.394 3.435 1.00 0.56 N ATOM 1363 CA HIS A 97 -15.352 7.221 4.784 1.00 0.65 C ATOM 1364 C HIS A 97 -13.827 7.191 4.646 1.00 0.75 C ATOM 1365 O HIS A 97 -13.187 8.223 4.635 1.00 1.58 O ATOM 1366 CB HIS A 97 -15.896 5.892 5.314 1.00 0.80 C ATOM 1367 CG HIS A 97 -17.170 6.141 6.073 1.00 0.85 C ATOM 1368 ND1 HIS A 97 -17.831 7.299 6.401 1.00 1.32 N flip ATOM 1369 CD2 HIS A 97 -17.930 5.109 6.602 1.00 0.84 C flip ATOM 1370 CE1 HIS A 97 -18.982 6.993 7.122 1.00 1.36 C flip ATOM 1371 NE2 HIS A 97 -18.993 5.661 7.214 1.00 1.01 N flip ATOM 0 H HIS A 97 -15.629 6.736 2.727 1.00 0.56 H new ATOM 0 HA HIS A 97 -15.599 8.033 5.468 1.00 0.65 H new ATOM 0 HB2 HIS A 97 -16.080 5.206 4.487 1.00 0.80 H new ATOM 0 HB3 HIS A 97 -15.160 5.418 5.963 1.00 0.80 H new ATOM 0 HD1 HIS A 97 -17.525 8.240 6.154 1.00 1.32 H new ATOM 0 HD2 HIS A 97 -17.709 4.054 6.535 1.00 0.84 H new ATOM 0 HE1 HIS A 97 -19.709 7.684 7.521 1.00 1.36 H new ATOM 1380 N ILE A 98 -13.234 6.027 4.536 1.00 0.53 N ATOM 1381 CA ILE A 98 -11.755 5.967 4.397 1.00 0.42 C ATOM 1382 C ILE A 98 -11.078 6.571 5.634 1.00 0.40 C ATOM 1383 O ILE A 98 -11.428 7.629 6.113 1.00 0.44 O ATOM 1384 CB ILE A 98 -11.410 6.768 3.139 1.00 0.35 C ATOM 1385 CG1 ILE A 98 -12.339 6.350 1.990 1.00 0.36 C ATOM 1386 CG2 ILE A 98 -9.956 6.486 2.752 1.00 0.33 C ATOM 1387 CD1 ILE A 98 -11.875 7.003 0.688 1.00 0.42 C ATOM 0 H ILE A 98 -13.710 5.125 4.537 1.00 0.53 H new ATOM 0 HA ILE A 98 -11.403 4.939 4.313 1.00 0.42 H new ATOM 0 HB ILE A 98 -11.540 7.833 3.334 1.00 0.35 H new ATOM 0 HG12 ILE A 98 -12.337 5.265 1.885 1.00 0.36 H new ATOM 0 HG13 ILE A 98 -13.364 6.647 2.212 1.00 0.36 H new ATOM 0 HG21 ILE A 98 -9.701 7.053 1.856 1.00 0.33 H new ATOM 0 HG22 ILE A 98 -9.298 6.783 3.569 1.00 0.33 H new ATOM 0 HG23 ILE A 98 -9.832 5.421 2.555 1.00 0.33 H new ATOM 0 HD11 ILE A 98 -12.537 6.704 -0.125 1.00 0.42 H new ATOM 0 HD12 ILE A 98 -11.900 8.087 0.796 1.00 0.42 H new ATOM 0 HD13 ILE A 98 -10.857 6.684 0.463 1.00 0.42 H new ATOM 1399 N LYS A 99 -10.087 5.869 6.124 1.00 0.38 N ATOM 1400 CA LYS A 99 -9.338 6.329 7.317 1.00 0.40 C ATOM 1401 C LYS A 99 -7.867 5.916 7.230 1.00 0.39 C ATOM 1402 O LYS A 99 -7.522 4.848 6.767 1.00 0.44 O ATOM 1403 CB LYS A 99 -9.976 5.602 8.515 1.00 0.41 C ATOM 1404 CG LYS A 99 -11.506 5.523 8.378 1.00 0.48 C ATOM 1405 CD LYS A 99 -12.121 6.916 8.509 1.00 0.62 C ATOM 1406 CE LYS A 99 -12.597 7.135 9.947 1.00 0.87 C ATOM 1407 NZ LYS A 99 -11.387 6.908 10.784 1.00 1.72 N ATOM 0 H LYS A 99 -9.765 4.982 5.736 1.00 0.38 H new ATOM 0 HA LYS A 99 -9.381 7.415 7.404 1.00 0.40 H new ATOM 0 HB2 LYS A 99 -9.564 4.596 8.592 1.00 0.41 H new ATOM 0 HB3 LYS A 99 -9.719 6.123 9.437 1.00 0.41 H new ATOM 0 HG2 LYS A 99 -11.770 5.090 7.413 1.00 0.48 H new ATOM 0 HG3 LYS A 99 -11.913 4.864 9.145 1.00 0.48 H new ATOM 0 HD2 LYS A 99 -11.387 7.675 8.239 1.00 0.62 H new ATOM 0 HD3 LYS A 99 -12.958 7.021 7.818 1.00 0.62 H new ATOM 0 HE2 LYS A 99 -12.991 8.142 10.085 1.00 0.87 H new ATOM 0 HE3 LYS A 99 -13.396 6.442 10.210 1.00 0.87 H new ATOM 0 HZ1 LYS A 99 -11.552 7.279 11.741 1.00 1.72 H new ATOM 0 HZ2 LYS A 99 -11.188 5.889 10.838 1.00 1.72 H new ATOM 0 HZ3 LYS A 99 -10.574 7.397 10.359 1.00 1.72 H new ATOM 1421 N ALA A 100 -7.008 6.773 7.721 1.00 0.39 N ATOM 1422 CA ALA A 100 -5.557 6.467 7.728 1.00 0.42 C ATOM 1423 C ALA A 100 -5.306 5.381 8.773 1.00 0.40 C ATOM 1424 O ALA A 100 -4.336 4.654 8.711 1.00 0.46 O ATOM 1425 CB ALA A 100 -4.864 7.774 8.118 1.00 0.49 C ATOM 0 H ALA A 100 -7.258 7.678 8.119 1.00 0.39 H new ATOM 0 HA ALA A 100 -5.186 6.108 6.768 1.00 0.42 H new ATOM 0 HB1 ALA A 100 -3.785 7.620 8.143 1.00 0.49 H new ATOM 0 HB2 ALA A 100 -5.104 8.545 7.386 1.00 0.49 H new ATOM 0 HB3 ALA A 100 -5.209 8.089 9.103 1.00 0.49 H new ATOM 1431 N GLU A 101 -6.191 5.251 9.725 1.00 0.39 N ATOM 1432 CA GLU A 101 -6.016 4.194 10.754 1.00 0.40 C ATOM 1433 C GLU A 101 -6.067 2.838 10.056 1.00 0.34 C ATOM 1434 O GLU A 101 -5.442 1.886 10.476 1.00 0.36 O ATOM 1435 CB GLU A 101 -7.195 4.357 11.717 1.00 0.43 C ATOM 1436 CG GLU A 101 -7.194 5.773 12.298 1.00 1.40 C ATOM 1437 CD GLU A 101 -5.834 6.082 12.926 1.00 2.02 C ATOM 1438 OE1 GLU A 101 -4.910 6.365 12.181 1.00 2.63 O ATOM 1439 OE2 GLU A 101 -5.739 6.030 14.141 1.00 2.53 O ATOM 0 H GLU A 101 -7.024 5.830 9.832 1.00 0.39 H new ATOM 0 HA GLU A 101 -5.069 4.267 11.289 1.00 0.40 H new ATOM 0 HB2 GLU A 101 -8.133 4.169 11.194 1.00 0.43 H new ATOM 0 HB3 GLU A 101 -7.125 3.624 12.520 1.00 0.43 H new ATOM 0 HG2 GLU A 101 -7.414 6.497 11.513 1.00 1.40 H new ATOM 0 HG3 GLU A 101 -7.979 5.867 13.048 1.00 1.40 H new ATOM 1446 N TYR A 102 -6.809 2.750 8.983 1.00 0.32 N ATOM 1447 CA TYR A 102 -6.901 1.458 8.242 1.00 0.28 C ATOM 1448 C TYR A 102 -5.671 1.289 7.341 1.00 0.25 C ATOM 1449 O TYR A 102 -5.291 0.188 6.995 1.00 0.32 O ATOM 1450 CB TYR A 102 -8.172 1.562 7.395 1.00 0.29 C ATOM 1451 CG TYR A 102 -9.389 1.535 8.289 1.00 0.29 C ATOM 1452 CD1 TYR A 102 -9.463 0.622 9.348 1.00 1.25 C ATOM 1453 CD2 TYR A 102 -10.445 2.424 8.057 1.00 1.21 C ATOM 1454 CE1 TYR A 102 -10.592 0.598 10.174 1.00 1.23 C ATOM 1455 CE2 TYR A 102 -11.575 2.400 8.883 1.00 1.26 C ATOM 1456 CZ TYR A 102 -11.648 1.487 9.942 1.00 0.39 C ATOM 1457 OH TYR A 102 -12.762 1.464 10.757 1.00 0.46 O ATOM 0 H TYR A 102 -7.355 3.516 8.588 1.00 0.32 H new ATOM 0 HA TYR A 102 -6.936 0.600 8.913 1.00 0.28 H new ATOM 0 HB2 TYR A 102 -8.158 2.484 6.813 1.00 0.29 H new ATOM 0 HB3 TYR A 102 -8.214 0.737 6.684 1.00 0.29 H new ATOM 0 HD1 TYR A 102 -8.648 -0.064 9.527 1.00 1.25 H new ATOM 0 HD2 TYR A 102 -10.388 3.129 7.241 1.00 1.21 H new ATOM 0 HE1 TYR A 102 -10.649 -0.106 10.991 1.00 1.23 H new ATOM 0 HE2 TYR A 102 -12.390 3.085 8.703 1.00 1.26 H new ATOM 0 HH TYR A 102 -13.333 0.707 10.509 1.00 0.46 H new ATOM 1467 N PHE A 103 -5.051 2.370 6.954 1.00 0.25 N ATOM 1468 CA PHE A 103 -3.851 2.270 6.070 1.00 0.24 C ATOM 1469 C PHE A 103 -2.755 1.457 6.764 1.00 0.27 C ATOM 1470 O PHE A 103 -2.282 0.464 6.248 1.00 0.30 O ATOM 1471 CB PHE A 103 -3.388 3.712 5.851 1.00 0.26 C ATOM 1472 CG PHE A 103 -4.125 4.315 4.680 1.00 0.24 C ATOM 1473 CD1 PHE A 103 -5.511 4.157 4.565 1.00 0.90 C ATOM 1474 CD2 PHE A 103 -3.420 5.035 3.710 1.00 0.85 C ATOM 1475 CE1 PHE A 103 -6.191 4.720 3.478 1.00 0.91 C ATOM 1476 CE2 PHE A 103 -4.099 5.598 2.623 1.00 0.85 C ATOM 1477 CZ PHE A 103 -5.485 5.441 2.507 1.00 0.26 C ATOM 0 H PHE A 103 -5.322 3.319 7.211 1.00 0.25 H new ATOM 0 HA PHE A 103 -4.076 1.770 5.128 1.00 0.24 H new ATOM 0 HB2 PHE A 103 -3.570 4.302 6.749 1.00 0.26 H new ATOM 0 HB3 PHE A 103 -2.314 3.734 5.667 1.00 0.26 H new ATOM 0 HD1 PHE A 103 -6.056 3.601 5.314 1.00 0.90 H new ATOM 0 HD2 PHE A 103 -2.351 5.157 3.800 1.00 0.85 H new ATOM 0 HE1 PHE A 103 -7.260 4.598 3.388 1.00 0.91 H new ATOM 0 HE2 PHE A 103 -3.554 6.153 1.874 1.00 0.85 H new ATOM 0 HZ PHE A 103 -6.010 5.876 1.669 1.00 0.26 H new ATOM 1487 N GLU A 104 -2.342 1.882 7.928 1.00 0.30 N ATOM 1488 CA GLU A 104 -1.268 1.152 8.665 1.00 0.35 C ATOM 1489 C GLU A 104 -1.518 -0.360 8.628 1.00 0.34 C ATOM 1490 O GLU A 104 -0.681 -1.111 8.168 1.00 0.35 O ATOM 1491 CB GLU A 104 -1.341 1.677 10.100 1.00 0.41 C ATOM 1492 CG GLU A 104 -0.105 2.528 10.396 1.00 0.53 C ATOM 1493 CD GLU A 104 -0.368 3.432 11.601 1.00 1.15 C ATOM 1494 OE1 GLU A 104 -1.380 4.114 11.595 1.00 1.81 O ATOM 1495 OE2 GLU A 104 0.447 3.428 12.509 1.00 1.86 O ATOM 0 H GLU A 104 -2.704 2.709 8.403 1.00 0.30 H new ATOM 0 HA GLU A 104 -0.286 1.315 8.221 1.00 0.35 H new ATOM 0 HB2 GLU A 104 -2.245 2.271 10.236 1.00 0.41 H new ATOM 0 HB3 GLU A 104 -1.398 0.844 10.801 1.00 0.41 H new ATOM 0 HG2 GLU A 104 0.751 1.883 10.595 1.00 0.53 H new ATOM 0 HG3 GLU A 104 0.147 3.133 9.525 1.00 0.53 H new ATOM 1502 N PRO A 105 -2.659 -0.761 9.122 1.00 0.34 N ATOM 1503 CA PRO A 105 -2.974 -2.213 9.132 1.00 0.35 C ATOM 1504 C PRO A 105 -2.850 -2.782 7.718 1.00 0.32 C ATOM 1505 O PRO A 105 -2.171 -3.765 7.493 1.00 0.36 O ATOM 1506 CB PRO A 105 -4.414 -2.295 9.644 1.00 0.38 C ATOM 1507 CG PRO A 105 -4.918 -0.892 9.757 1.00 0.39 C ATOM 1508 CD PRO A 105 -3.739 0.039 9.707 1.00 0.35 C ATOM 0 HA PRO A 105 -2.295 -2.792 9.758 1.00 0.35 H new ATOM 0 HB2 PRO A 105 -5.034 -2.874 8.960 1.00 0.38 H new ATOM 0 HB3 PRO A 105 -4.452 -2.797 10.611 1.00 0.38 H new ATOM 0 HG2 PRO A 105 -5.611 -0.671 8.945 1.00 0.39 H new ATOM 0 HG3 PRO A 105 -5.467 -0.760 10.689 1.00 0.39 H new ATOM 0 HD2 PRO A 105 -3.954 0.918 9.100 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -3.473 0.396 10.702 1.00 0.35 H new ATOM 1516 N LEU A 106 -3.494 -2.173 6.761 1.00 0.33 N ATOM 1517 CA LEU A 106 -3.401 -2.683 5.365 1.00 0.32 C ATOM 1518 C LEU A 106 -1.939 -2.652 4.913 1.00 0.32 C ATOM 1519 O LEU A 106 -1.536 -3.386 4.032 1.00 0.34 O ATOM 1520 CB LEU A 106 -4.261 -1.726 4.528 1.00 0.34 C ATOM 1521 CG LEU A 106 -4.386 -2.237 3.084 1.00 0.38 C ATOM 1522 CD1 LEU A 106 -3.064 -2.025 2.343 1.00 0.40 C ATOM 1523 CD2 LEU A 106 -4.737 -3.729 3.081 1.00 0.39 C ATOM 0 H LEU A 106 -4.079 -1.347 6.885 1.00 0.33 H new ATOM 0 HA LEU A 106 -3.748 -3.711 5.264 1.00 0.32 H new ATOM 0 HB2 LEU A 106 -5.251 -1.633 4.974 1.00 0.34 H new ATOM 0 HB3 LEU A 106 -3.816 -0.731 4.531 1.00 0.34 H new ATOM 0 HG LEU A 106 -5.178 -1.681 2.582 1.00 0.38 H new ATOM 0 HD11 LEU A 106 -3.158 -2.389 1.320 1.00 0.40 H new ATOM 0 HD12 LEU A 106 -2.821 -0.963 2.329 1.00 0.40 H new ATOM 0 HD13 LEU A 106 -2.270 -2.572 2.851 1.00 0.40 H new ATOM 0 HD21 LEU A 106 -4.823 -4.080 2.053 1.00 0.39 H new ATOM 0 HD22 LEU A 106 -3.953 -4.288 3.591 1.00 0.39 H new ATOM 0 HD23 LEU A 106 -5.685 -3.881 3.597 1.00 0.39 H new ATOM 1535 N GLY A 107 -1.141 -1.811 5.513 1.00 0.34 N ATOM 1536 CA GLY A 107 0.295 -1.738 5.120 1.00 0.39 C ATOM 1537 C GLY A 107 1.072 -2.827 5.860 1.00 0.38 C ATOM 1538 O GLY A 107 1.777 -3.615 5.263 1.00 0.40 O ATOM 0 H GLY A 107 -1.421 -1.172 6.257 1.00 0.34 H new ATOM 0 HA2 GLY A 107 0.397 -1.869 4.043 1.00 0.39 H new ATOM 0 HA3 GLY A 107 0.702 -0.756 5.361 1.00 0.39 H new ATOM 1542 N ALA A 108 0.947 -2.880 7.159 1.00 0.40 N ATOM 1543 CA ALA A 108 1.678 -3.923 7.933 1.00 0.43 C ATOM 1544 C ALA A 108 1.249 -5.309 7.450 1.00 0.42 C ATOM 1545 O ALA A 108 2.069 -6.155 7.154 1.00 0.44 O ATOM 1546 CB ALA A 108 1.270 -3.704 9.391 1.00 0.52 C ATOM 0 H ALA A 108 0.372 -2.248 7.716 1.00 0.40 H new ATOM 0 HA ALA A 108 2.759 -3.857 7.810 1.00 0.43 H new ATOM 0 HB1 ALA A 108 1.770 -4.438 10.023 1.00 0.52 H new ATOM 0 HB2 ALA A 108 1.558 -2.700 9.703 1.00 0.52 H new ATOM 0 HB3 ALA A 108 0.190 -3.818 9.488 1.00 0.52 H new ATOM 1552 N SER A 109 -0.031 -5.546 7.363 1.00 0.43 N ATOM 1553 CA SER A 109 -0.511 -6.876 6.894 1.00 0.45 C ATOM 1554 C SER A 109 0.045 -7.154 5.496 1.00 0.40 C ATOM 1555 O SER A 109 0.204 -8.289 5.094 1.00 0.44 O ATOM 1556 CB SER A 109 -2.036 -6.766 6.860 1.00 0.50 C ATOM 1557 OG SER A 109 -2.603 -8.067 6.934 1.00 1.10 O ATOM 0 H SER A 109 -0.765 -4.877 7.596 1.00 0.43 H new ATOM 0 HA SER A 109 -0.187 -7.691 7.541 1.00 0.45 H new ATOM 0 HB2 SER A 109 -2.387 -6.156 7.693 1.00 0.50 H new ATOM 0 HB3 SER A 109 -2.356 -6.269 5.944 1.00 0.50 H new ATOM 0 HG SER A 109 -3.580 -7.999 6.914 1.00 1.10 H new ATOM 1563 N LEU A 110 0.345 -6.123 4.753 1.00 0.36 N ATOM 1564 CA LEU A 110 0.893 -6.326 3.383 1.00 0.37 C ATOM 1565 C LEU A 110 2.266 -6.994 3.474 1.00 0.33 C ATOM 1566 O LEU A 110 2.576 -7.901 2.728 1.00 0.36 O ATOM 1567 CB LEU A 110 1.009 -4.924 2.783 1.00 0.41 C ATOM 1568 CG LEU A 110 1.043 -5.023 1.258 1.00 0.46 C ATOM 1569 CD1 LEU A 110 0.373 -3.789 0.651 1.00 0.49 C ATOM 1570 CD2 LEU A 110 2.497 -5.096 0.786 1.00 0.64 C ATOM 0 H LEU A 110 0.234 -5.149 5.036 1.00 0.36 H new ATOM 0 HA LEU A 110 0.261 -6.969 2.770 1.00 0.37 H new ATOM 0 HB2 LEU A 110 0.165 -4.311 3.099 1.00 0.41 H new ATOM 0 HB3 LEU A 110 1.913 -4.435 3.147 1.00 0.41 H new ATOM 0 HG LEU A 110 0.510 -5.919 0.940 1.00 0.46 H new ATOM 0 HD11 LEU A 110 0.397 -3.860 -0.436 1.00 0.49 H new ATOM 0 HD12 LEU A 110 -0.662 -3.734 0.988 1.00 0.49 H new ATOM 0 HD13 LEU A 110 0.906 -2.893 0.968 1.00 0.49 H new ATOM 0 HD21 LEU A 110 2.523 -5.167 -0.301 1.00 0.64 H new ATOM 0 HD22 LEU A 110 3.028 -4.199 1.104 1.00 0.64 H new ATOM 0 HD23 LEU A 110 2.976 -5.974 1.218 1.00 0.64 H new ATOM 1582 N LEU A 111 3.093 -6.553 4.383 1.00 0.32 N ATOM 1583 CA LEU A 111 4.444 -7.169 4.516 1.00 0.32 C ATOM 1584 C LEU A 111 4.296 -8.680 4.705 1.00 0.35 C ATOM 1585 O LEU A 111 5.012 -9.463 4.114 1.00 0.36 O ATOM 1586 CB LEU A 111 5.066 -6.525 5.758 1.00 0.36 C ATOM 1587 CG LEU A 111 5.770 -5.222 5.368 1.00 0.36 C ATOM 1588 CD1 LEU A 111 6.441 -4.615 6.601 1.00 0.43 C ATOM 1589 CD2 LEU A 111 6.832 -5.512 4.306 1.00 0.34 C ATOM 0 H LEU A 111 2.893 -5.796 5.037 1.00 0.32 H new ATOM 0 HA LEU A 111 5.066 -7.009 3.635 1.00 0.32 H new ATOM 0 HB2 LEU A 111 4.294 -6.324 6.500 1.00 0.36 H new ATOM 0 HB3 LEU A 111 5.778 -7.211 6.217 1.00 0.36 H new ATOM 0 HG LEU A 111 5.037 -4.521 4.969 1.00 0.36 H new ATOM 0 HD11 LEU A 111 6.942 -3.688 6.323 1.00 0.43 H new ATOM 0 HD12 LEU A 111 5.687 -4.407 7.360 1.00 0.43 H new ATOM 0 HD13 LEU A 111 7.173 -5.317 7.000 1.00 0.43 H new ATOM 0 HD21 LEU A 111 7.332 -4.584 4.029 1.00 0.34 H new ATOM 0 HD22 LEU A 111 7.564 -6.214 4.706 1.00 0.34 H new ATOM 0 HD23 LEU A 111 6.357 -5.945 3.425 1.00 0.34 H new ATOM 1601 N SER A 112 3.367 -9.095 5.522 1.00 0.38 N ATOM 1602 CA SER A 112 3.170 -10.555 5.745 1.00 0.43 C ATOM 1603 C SER A 112 2.933 -11.247 4.402 1.00 0.42 C ATOM 1604 O SER A 112 3.253 -12.406 4.223 1.00 0.47 O ATOM 1605 CB SER A 112 1.932 -10.662 6.635 1.00 0.48 C ATOM 1606 OG SER A 112 2.323 -11.079 7.936 1.00 1.09 O ATOM 0 H SER A 112 2.736 -8.487 6.044 1.00 0.38 H new ATOM 0 HA SER A 112 4.035 -11.030 6.208 1.00 0.43 H new ATOM 0 HB2 SER A 112 1.423 -9.699 6.687 1.00 0.48 H new ATOM 0 HB3 SER A 112 1.225 -11.374 6.210 1.00 0.48 H new ATOM 0 HG SER A 112 1.531 -11.147 8.510 1.00 1.09 H new ATOM 1612 N ALA A 113 2.372 -10.545 3.456 1.00 0.40 N ATOM 1613 CA ALA A 113 2.111 -11.161 2.125 1.00 0.42 C ATOM 1614 C ALA A 113 3.375 -11.089 1.264 1.00 0.38 C ATOM 1615 O ALA A 113 3.697 -12.010 0.542 1.00 0.42 O ATOM 1616 CB ALA A 113 0.988 -10.326 1.509 1.00 0.44 C ATOM 0 H ALA A 113 2.083 -9.571 3.548 1.00 0.40 H new ATOM 0 HA ALA A 113 1.833 -12.212 2.200 1.00 0.42 H new ATOM 0 HB1 ALA A 113 0.740 -10.720 0.524 1.00 0.44 H new ATOM 0 HB2 ALA A 113 0.108 -10.371 2.150 1.00 0.44 H new ATOM 0 HB3 ALA A 113 1.315 -9.291 1.413 1.00 0.44 H new ATOM 1622 N MET A 114 4.091 -10.001 1.331 1.00 0.33 N ATOM 1623 CA MET A 114 5.331 -9.872 0.510 1.00 0.32 C ATOM 1624 C MET A 114 6.193 -11.129 0.667 1.00 0.32 C ATOM 1625 O MET A 114 6.697 -11.670 -0.297 1.00 0.36 O ATOM 1626 CB MET A 114 6.060 -8.647 1.065 1.00 0.34 C ATOM 1627 CG MET A 114 5.216 -7.393 0.823 1.00 0.48 C ATOM 1628 SD MET A 114 4.959 -7.168 -0.954 1.00 1.25 S ATOM 1629 CE MET A 114 5.222 -5.379 -0.995 1.00 0.64 C ATOM 0 H MET A 114 3.873 -9.196 1.918 1.00 0.33 H new ATOM 0 HA MET A 114 5.113 -9.761 -0.552 1.00 0.32 H new ATOM 0 HB2 MET A 114 6.244 -8.773 2.132 1.00 0.34 H new ATOM 0 HB3 MET A 114 7.032 -8.541 0.584 1.00 0.34 H new ATOM 0 HG2 MET A 114 4.256 -7.485 1.331 1.00 0.48 H new ATOM 0 HG3 MET A 114 5.716 -6.520 1.242 1.00 0.48 H new ATOM 0 HE1 MET A 114 4.287 -4.879 -1.248 1.00 0.64 H new ATOM 0 HE2 MET A 114 5.562 -5.039 -0.017 1.00 0.64 H new ATOM 0 HE3 MET A 114 5.976 -5.139 -1.745 1.00 0.64 H new ATOM 1639 N GLU A 115 6.368 -11.594 1.872 1.00 0.32 N ATOM 1640 CA GLU A 115 7.200 -12.812 2.088 1.00 0.35 C ATOM 1641 C GLU A 115 6.750 -13.925 1.137 1.00 0.37 C ATOM 1642 O GLU A 115 7.519 -14.794 0.777 1.00 0.41 O ATOM 1643 CB GLU A 115 6.954 -13.214 3.543 1.00 0.42 C ATOM 1644 CG GLU A 115 8.293 -13.474 4.236 1.00 1.21 C ATOM 1645 CD GLU A 115 8.262 -14.831 4.941 1.00 1.41 C ATOM 1646 OE1 GLU A 115 7.417 -15.010 5.803 1.00 1.84 O ATOM 1647 OE2 GLU A 115 9.083 -15.669 4.607 1.00 1.97 O ATOM 0 H GLU A 115 5.971 -11.184 2.717 1.00 0.32 H new ATOM 0 HA GLU A 115 8.257 -12.632 1.894 1.00 0.35 H new ATOM 0 HB2 GLU A 115 6.411 -12.424 4.062 1.00 0.42 H new ATOM 0 HB3 GLU A 115 6.332 -14.108 3.584 1.00 0.42 H new ATOM 0 HG2 GLU A 115 9.101 -13.453 3.504 1.00 1.21 H new ATOM 0 HG3 GLU A 115 8.497 -12.684 4.959 1.00 1.21 H new ATOM 1654 N HIS A 116 5.510 -13.910 0.731 1.00 0.37 N ATOM 1655 CA HIS A 116 5.013 -14.974 -0.189 1.00 0.41 C ATOM 1656 C HIS A 116 5.911 -15.062 -1.426 1.00 0.41 C ATOM 1657 O HIS A 116 6.303 -16.134 -1.843 1.00 0.53 O ATOM 1658 CB HIS A 116 3.599 -14.542 -0.583 1.00 0.44 C ATOM 1659 CG HIS A 116 2.699 -14.599 0.621 1.00 0.49 C ATOM 1660 ND1 HIS A 116 1.321 -14.490 0.519 1.00 0.60 N ATOM 1661 CD2 HIS A 116 2.965 -14.760 1.958 1.00 0.50 C ATOM 1662 CE1 HIS A 116 0.813 -14.585 1.761 1.00 0.65 C ATOM 1663 NE2 HIS A 116 1.772 -14.751 2.677 1.00 0.59 N ATOM 0 H HIS A 116 4.819 -13.208 0.996 1.00 0.37 H new ATOM 0 HA HIS A 116 5.018 -15.957 0.281 1.00 0.41 H new ATOM 0 HB2 HIS A 116 3.617 -13.530 -0.988 1.00 0.44 H new ATOM 0 HB3 HIS A 116 3.215 -15.193 -1.368 1.00 0.44 H new ATOM 0 HD1 HIS A 116 0.789 -14.361 -0.342 1.00 0.60 H new ATOM 0 HD2 HIS A 116 3.949 -14.876 2.387 1.00 0.50 H new ATOM 0 HE1 HIS A 116 -0.241 -14.533 1.990 1.00 0.65 H new ATOM 1671 N ARG A 117 6.232 -13.947 -2.024 1.00 0.38 N ATOM 1672 CA ARG A 117 7.094 -13.976 -3.241 1.00 0.41 C ATOM 1673 C ARG A 117 8.565 -14.137 -2.843 1.00 0.40 C ATOM 1674 O ARG A 117 9.180 -15.151 -3.106 1.00 0.51 O ATOM 1675 CB ARG A 117 6.860 -12.631 -3.934 1.00 0.41 C ATOM 1676 CG ARG A 117 7.306 -12.727 -5.395 1.00 0.57 C ATOM 1677 CD ARG A 117 6.387 -11.869 -6.268 1.00 1.09 C ATOM 1678 NE ARG A 117 7.097 -11.725 -7.569 1.00 0.76 N ATOM 1679 CZ ARG A 117 6.979 -12.651 -8.482 1.00 0.96 C ATOM 1680 NH1 ARG A 117 7.730 -13.717 -8.431 1.00 1.57 N ATOM 1681 NH2 ARG A 117 6.111 -12.510 -9.446 1.00 1.57 N ATOM 0 H ARG A 117 5.935 -13.018 -1.723 1.00 0.38 H new ATOM 0 HA ARG A 117 6.852 -14.812 -3.898 1.00 0.41 H new ATOM 0 HB2 ARG A 117 5.805 -12.361 -3.881 1.00 0.41 H new ATOM 0 HB3 ARG A 117 7.416 -11.845 -3.423 1.00 0.41 H new ATOM 0 HG2 ARG A 117 8.338 -12.390 -5.494 1.00 0.57 H new ATOM 0 HG3 ARG A 117 7.276 -13.765 -5.728 1.00 0.57 H new ATOM 0 HD2 ARG A 117 5.415 -12.345 -6.401 1.00 1.09 H new ATOM 0 HD3 ARG A 117 6.206 -10.897 -5.810 1.00 1.09 H new ATOM 0 HE ARG A 117 7.675 -10.904 -7.747 1.00 0.76 H new ATOM 0 HH11 ARG A 117 8.409 -13.827 -7.678 1.00 1.57 H new ATOM 0 HH12 ARG A 117 7.638 -14.440 -9.144 1.00 1.57 H new ATOM 0 HH21 ARG A 117 5.525 -11.676 -9.486 1.00 1.57 H new ATOM 0 HH22 ARG A 117 6.019 -13.233 -10.159 1.00 1.57 H new ATOM 1695 N ILE A 118 9.136 -13.143 -2.219 1.00 0.37 N ATOM 1696 CA ILE A 118 10.568 -13.242 -1.815 1.00 0.39 C ATOM 1697 C ILE A 118 10.671 -13.797 -0.391 1.00 0.48 C ATOM 1698 O ILE A 118 11.299 -13.212 0.468 1.00 1.06 O ATOM 1699 CB ILE A 118 11.104 -11.810 -1.881 1.00 0.32 C ATOM 1700 CG1 ILE A 118 10.309 -10.922 -0.920 1.00 0.31 C ATOM 1701 CG2 ILE A 118 10.957 -11.274 -3.306 1.00 0.39 C ATOM 1702 CD1 ILE A 118 11.239 -9.874 -0.306 1.00 0.30 C ATOM 0 H ILE A 118 8.674 -12.268 -1.972 1.00 0.37 H new ATOM 0 HA ILE A 118 11.137 -13.912 -2.460 1.00 0.39 H new ATOM 0 HB ILE A 118 12.156 -11.804 -1.597 1.00 0.32 H new ATOM 0 HG12 ILE A 118 9.493 -10.433 -1.451 1.00 0.31 H new ATOM 0 HG13 ILE A 118 9.859 -11.529 -0.135 1.00 0.31 H new ATOM 0 HG21 ILE A 118 11.339 -10.254 -3.352 1.00 0.39 H new ATOM 0 HG22 ILE A 118 11.522 -11.905 -3.992 1.00 0.39 H new ATOM 0 HG23 ILE A 118 9.905 -11.281 -3.591 1.00 0.39 H new ATOM 0 HD11 ILE A 118 10.673 -9.242 0.378 1.00 0.30 H new ATOM 0 HD12 ILE A 118 12.040 -10.373 0.239 1.00 0.30 H new ATOM 0 HD13 ILE A 118 11.668 -9.259 -1.098 1.00 0.30 H new ATOM 1714 N GLY A 119 10.059 -14.922 -0.136 1.00 0.59 N ATOM 1715 CA GLY A 119 10.120 -15.514 1.230 1.00 0.57 C ATOM 1716 C GLY A 119 11.567 -15.893 1.560 1.00 0.71 C ATOM 1717 O GLY A 119 11.959 -15.937 2.709 1.00 1.62 O ATOM 0 H GLY A 119 9.519 -15.457 -0.816 1.00 0.59 H new ATOM 0 HA2 GLY A 119 9.743 -14.801 1.964 1.00 0.57 H new ATOM 0 HA3 GLY A 119 9.481 -16.395 1.285 1.00 0.57 H new ATOM 1721 N GLY A 120 12.362 -16.172 0.563 1.00 0.64 N ATOM 1722 CA GLY A 120 13.781 -16.553 0.825 1.00 0.67 C ATOM 1723 C GLY A 120 14.650 -15.293 0.860 1.00 0.59 C ATOM 1724 O GLY A 120 15.761 -15.309 1.352 1.00 0.70 O ATOM 0 H GLY A 120 12.092 -16.153 -0.420 1.00 0.64 H new ATOM 0 HA2 GLY A 120 13.856 -17.086 1.773 1.00 0.67 H new ATOM 0 HA3 GLY A 120 14.136 -17.231 0.049 1.00 0.67 H new ATOM 1728 N LYS A 121 14.158 -14.201 0.343 1.00 0.49 N ATOM 1729 CA LYS A 121 14.963 -12.948 0.351 1.00 0.44 C ATOM 1730 C LYS A 121 14.399 -11.977 1.390 1.00 0.36 C ATOM 1731 O LYS A 121 15.073 -11.070 1.835 1.00 0.38 O ATOM 1732 CB LYS A 121 14.827 -12.375 -1.060 1.00 0.47 C ATOM 1733 CG LYS A 121 15.928 -12.952 -1.951 1.00 0.62 C ATOM 1734 CD LYS A 121 15.439 -12.992 -3.400 1.00 1.06 C ATOM 1735 CE LYS A 121 16.554 -13.526 -4.302 1.00 1.41 C ATOM 1736 NZ LYS A 121 16.175 -13.083 -5.672 1.00 2.03 N ATOM 0 H LYS A 121 13.235 -14.122 -0.084 1.00 0.49 H new ATOM 0 HA LYS A 121 16.007 -13.124 0.611 1.00 0.44 H new ATOM 0 HB2 LYS A 121 13.847 -12.618 -1.470 1.00 0.47 H new ATOM 0 HB3 LYS A 121 14.899 -11.288 -1.031 1.00 0.47 H new ATOM 0 HG2 LYS A 121 16.829 -12.343 -1.876 1.00 0.62 H new ATOM 0 HG3 LYS A 121 16.193 -13.955 -1.617 1.00 0.62 H new ATOM 0 HD2 LYS A 121 14.557 -13.627 -3.480 1.00 1.06 H new ATOM 0 HD3 LYS A 121 15.143 -11.994 -3.722 1.00 1.06 H new ATOM 0 HE2 LYS A 121 17.525 -13.126 -4.011 1.00 1.41 H new ATOM 0 HE3 LYS A 121 16.626 -14.612 -4.242 1.00 1.41 H new ATOM 0 HZ1 LYS A 121 17.032 -12.969 -6.250 1.00 2.03 H new ATOM 0 HZ2 LYS A 121 15.556 -13.796 -6.108 1.00 2.03 H new ATOM 0 HZ3 LYS A 121 15.672 -12.175 -5.616 1.00 2.03 H new ATOM 1750 N MET A 122 13.168 -12.160 1.782 1.00 0.34 N ATOM 1751 CA MET A 122 12.570 -11.246 2.794 1.00 0.30 C ATOM 1752 C MET A 122 13.325 -11.389 4.118 1.00 0.35 C ATOM 1753 O MET A 122 13.028 -12.248 4.924 1.00 0.50 O ATOM 1754 CB MET A 122 11.119 -11.703 2.944 1.00 0.33 C ATOM 1755 CG MET A 122 10.341 -10.669 3.758 1.00 0.34 C ATOM 1756 SD MET A 122 9.665 -9.410 2.646 1.00 0.46 S ATOM 1757 CE MET A 122 9.238 -8.194 3.917 1.00 0.33 C ATOM 0 H MET A 122 12.553 -12.901 1.446 1.00 0.34 H new ATOM 0 HA MET A 122 12.627 -10.198 2.499 1.00 0.30 H new ATOM 0 HB2 MET A 122 10.662 -11.827 1.962 1.00 0.33 H new ATOM 0 HB3 MET A 122 11.081 -12.674 3.438 1.00 0.33 H new ATOM 0 HG2 MET A 122 9.535 -11.155 4.308 1.00 0.34 H new ATOM 0 HG3 MET A 122 10.995 -10.204 4.496 1.00 0.34 H new ATOM 0 HE1 MET A 122 8.862 -7.288 3.442 1.00 0.33 H new ATOM 0 HE2 MET A 122 8.470 -8.606 4.572 1.00 0.33 H new ATOM 0 HE3 MET A 122 10.125 -7.955 4.504 1.00 0.33 H new ATOM 1767 N ASN A 123 14.301 -10.552 4.348 1.00 0.31 N ATOM 1768 CA ASN A 123 15.077 -10.643 5.620 1.00 0.37 C ATOM 1769 C ASN A 123 14.587 -9.577 6.604 1.00 0.36 C ATOM 1770 O ASN A 123 13.651 -8.852 6.333 1.00 0.39 O ATOM 1771 CB ASN A 123 16.541 -10.402 5.234 1.00 0.40 C ATOM 1772 CG ASN A 123 16.669 -9.146 4.365 1.00 0.43 C ATOM 1773 OD1 ASN A 123 16.099 -9.074 3.294 1.00 1.34 O ATOM 1774 ND2 ASN A 123 17.402 -8.148 4.780 1.00 0.91 N ATOM 0 H ASN A 123 14.594 -9.811 3.712 1.00 0.31 H new ATOM 0 HA ASN A 123 14.955 -11.610 6.108 1.00 0.37 H new ATOM 0 HB2 ASN A 123 17.147 -10.292 6.134 1.00 0.40 H new ATOM 0 HB3 ASN A 123 16.927 -11.266 4.693 1.00 0.40 H new ATOM 0 HD21 ASN A 123 17.495 -7.310 4.206 1.00 0.91 H new ATOM 0 HD22 ASN A 123 17.881 -8.206 5.679 1.00 0.91 H new ATOM 1781 N ALA A 124 15.210 -9.485 7.749 1.00 0.38 N ATOM 1782 CA ALA A 124 14.779 -8.476 8.760 1.00 0.41 C ATOM 1783 C ALA A 124 14.888 -7.061 8.182 1.00 0.37 C ATOM 1784 O ALA A 124 13.990 -6.256 8.322 1.00 0.40 O ATOM 1785 CB ALA A 124 15.741 -8.651 9.937 1.00 0.48 C ATOM 0 H ALA A 124 16.000 -10.066 8.028 1.00 0.38 H new ATOM 0 HA ALA A 124 13.740 -8.615 9.060 1.00 0.41 H new ATOM 0 HB1 ALA A 124 15.487 -7.941 10.724 1.00 0.48 H new ATOM 0 HB2 ALA A 124 15.660 -9.666 10.325 1.00 0.48 H new ATOM 0 HB3 ALA A 124 16.762 -8.471 9.602 1.00 0.48 H new ATOM 1791 N ALA A 125 15.984 -6.749 7.542 1.00 0.36 N ATOM 1792 CA ALA A 125 16.146 -5.383 6.970 1.00 0.36 C ATOM 1793 C ALA A 125 15.135 -5.163 5.840 1.00 0.32 C ATOM 1794 O ALA A 125 14.922 -4.051 5.398 1.00 0.38 O ATOM 1795 CB ALA A 125 17.575 -5.335 6.428 1.00 0.37 C ATOM 0 H ALA A 125 16.771 -7.380 7.392 1.00 0.36 H new ATOM 0 HA ALA A 125 15.972 -4.605 7.713 1.00 0.36 H new ATOM 0 HB1 ALA A 125 17.765 -4.355 5.990 1.00 0.37 H new ATOM 0 HB2 ALA A 125 18.279 -5.512 7.241 1.00 0.37 H new ATOM 0 HB3 ALA A 125 17.701 -6.104 5.665 1.00 0.37 H new ATOM 1801 N ALA A 126 14.511 -6.207 5.367 1.00 0.27 N ATOM 1802 CA ALA A 126 13.521 -6.044 4.265 1.00 0.24 C ATOM 1803 C ALA A 126 12.127 -5.791 4.845 1.00 0.25 C ATOM 1804 O ALA A 126 11.390 -4.953 4.364 1.00 0.28 O ATOM 1805 CB ALA A 126 13.556 -7.365 3.493 1.00 0.23 C ATOM 0 H ALA A 126 14.643 -7.164 5.695 1.00 0.27 H new ATOM 0 HA ALA A 126 13.756 -5.197 3.621 1.00 0.24 H new ATOM 0 HB1 ALA A 126 12.850 -7.320 2.663 1.00 0.23 H new ATOM 0 HB2 ALA A 126 14.561 -7.534 3.106 1.00 0.23 H new ATOM 0 HB3 ALA A 126 13.282 -8.183 4.159 1.00 0.23 H new ATOM 1811 N LYS A 127 11.751 -6.514 5.866 1.00 0.26 N ATOM 1812 CA LYS A 127 10.397 -6.312 6.456 1.00 0.30 C ATOM 1813 C LYS A 127 10.391 -5.057 7.334 1.00 0.34 C ATOM 1814 O LYS A 127 9.368 -4.429 7.522 1.00 0.38 O ATOM 1815 CB LYS A 127 10.119 -7.567 7.287 1.00 0.33 C ATOM 1816 CG LYS A 127 11.083 -7.630 8.473 1.00 0.34 C ATOM 1817 CD LYS A 127 10.816 -8.904 9.276 1.00 0.52 C ATOM 1818 CE LYS A 127 11.149 -10.128 8.418 1.00 0.54 C ATOM 1819 NZ LYS A 127 10.831 -11.296 9.286 1.00 1.01 N ATOM 0 H LYS A 127 12.320 -7.232 6.315 1.00 0.26 H new ATOM 0 HA LYS A 127 9.632 -6.168 5.693 1.00 0.30 H new ATOM 0 HB2 LYS A 127 9.089 -7.556 7.644 1.00 0.33 H new ATOM 0 HB3 LYS A 127 10.232 -8.457 6.667 1.00 0.33 H new ATOM 0 HG2 LYS A 127 12.114 -7.619 8.119 1.00 0.34 H new ATOM 0 HG3 LYS A 127 10.955 -6.753 9.108 1.00 0.34 H new ATOM 0 HD2 LYS A 127 11.420 -8.908 10.184 1.00 0.52 H new ATOM 0 HD3 LYS A 127 9.772 -8.938 9.587 1.00 0.52 H new ATOM 0 HE2 LYS A 127 10.558 -10.142 7.502 1.00 0.54 H new ATOM 0 HE3 LYS A 127 12.198 -10.130 8.120 1.00 0.54 H new ATOM 0 HZ1 LYS A 127 11.032 -12.177 8.771 1.00 1.01 H new ATOM 0 HZ2 LYS A 127 11.414 -11.258 10.147 1.00 1.01 H new ATOM 0 HZ3 LYS A 127 9.825 -11.270 9.548 1.00 1.01 H new ATOM 1833 N ASP A 128 11.520 -4.684 7.875 1.00 0.34 N ATOM 1834 CA ASP A 128 11.558 -3.468 8.739 1.00 0.40 C ATOM 1835 C ASP A 128 11.638 -2.212 7.862 1.00 0.40 C ATOM 1836 O ASP A 128 11.114 -1.170 8.200 1.00 0.50 O ATOM 1837 CB ASP A 128 12.808 -3.627 9.623 1.00 0.42 C ATOM 1838 CG ASP A 128 14.076 -3.232 8.859 1.00 0.52 C ATOM 1839 OD1 ASP A 128 14.177 -3.586 7.699 1.00 1.12 O ATOM 1840 OD2 ASP A 128 14.921 -2.578 9.449 1.00 1.31 O ATOM 0 H ASP A 128 12.412 -5.165 7.757 1.00 0.34 H new ATOM 0 HA ASP A 128 10.664 -3.362 9.353 1.00 0.40 H new ATOM 0 HB2 ASP A 128 12.708 -3.007 10.514 1.00 0.42 H new ATOM 0 HB3 ASP A 128 12.890 -4.660 9.961 1.00 0.42 H new ATOM 1845 N ALA A 129 12.291 -2.309 6.738 1.00 0.34 N ATOM 1846 CA ALA A 129 12.409 -1.130 5.835 1.00 0.36 C ATOM 1847 C ALA A 129 11.057 -0.853 5.178 1.00 0.34 C ATOM 1848 O ALA A 129 10.629 0.279 5.063 1.00 0.41 O ATOM 1849 CB ALA A 129 13.449 -1.532 4.789 1.00 0.33 C ATOM 0 H ALA A 129 12.750 -3.157 6.405 1.00 0.34 H new ATOM 0 HA ALA A 129 12.704 -0.223 6.363 1.00 0.36 H new ATOM 0 HB1 ALA A 129 13.592 -0.713 4.085 1.00 0.33 H new ATOM 0 HB2 ALA A 129 14.395 -1.755 5.283 1.00 0.33 H new ATOM 0 HB3 ALA A 129 13.103 -2.415 4.252 1.00 0.33 H new ATOM 1855 N TRP A 130 10.379 -1.881 4.751 1.00 0.28 N ATOM 1856 CA TRP A 130 9.052 -1.684 4.108 1.00 0.30 C ATOM 1857 C TRP A 130 8.019 -1.338 5.181 1.00 0.37 C ATOM 1858 O TRP A 130 7.061 -0.634 4.931 1.00 0.45 O ATOM 1859 CB TRP A 130 8.732 -3.025 3.443 1.00 0.28 C ATOM 1860 CG TRP A 130 9.135 -2.998 1.997 1.00 0.24 C ATOM 1861 CD1 TRP A 130 9.882 -2.035 1.402 1.00 0.24 C ATOM 1862 CD2 TRP A 130 8.826 -3.971 0.960 1.00 0.22 C ATOM 1863 NE1 TRP A 130 10.041 -2.355 0.066 1.00 0.22 N ATOM 1864 CE2 TRP A 130 9.410 -3.539 -0.255 1.00 0.21 C ATOM 1865 CE3 TRP A 130 8.100 -5.174 0.955 1.00 0.24 C ATOM 1866 CZ2 TRP A 130 9.277 -4.276 -1.431 1.00 0.22 C ATOM 1867 CZ3 TRP A 130 7.965 -5.918 -0.226 1.00 0.26 C ATOM 1868 CH2 TRP A 130 8.552 -5.470 -1.418 1.00 0.25 C ATOM 0 H TRP A 130 10.688 -2.851 4.820 1.00 0.28 H new ATOM 0 HA TRP A 130 9.044 -0.871 3.381 1.00 0.30 H new ATOM 0 HB2 TRP A 130 9.257 -3.829 3.959 1.00 0.28 H new ATOM 0 HB3 TRP A 130 7.666 -3.235 3.527 1.00 0.28 H new ATOM 0 HD1 TRP A 130 10.286 -1.161 1.891 1.00 0.24 H new ATOM 0 HE1 TRP A 130 10.561 -1.785 -0.601 1.00 0.22 H new ATOM 0 HE3 TRP A 130 7.643 -5.528 1.867 1.00 0.24 H new ATOM 0 HZ2 TRP A 130 9.732 -3.926 -2.346 1.00 0.22 H new ATOM 0 HZ3 TRP A 130 7.405 -6.842 -0.217 1.00 0.26 H new ATOM 0 HH2 TRP A 130 8.444 -6.047 -2.324 1.00 0.25 H new ATOM 1879 N ALA A 131 8.213 -1.819 6.379 1.00 0.37 N ATOM 1880 CA ALA A 131 7.247 -1.506 7.468 1.00 0.45 C ATOM 1881 C ALA A 131 7.358 -0.022 7.823 1.00 0.45 C ATOM 1882 O ALA A 131 6.376 0.637 8.103 1.00 0.51 O ATOM 1883 CB ALA A 131 7.666 -2.382 8.650 1.00 0.54 C ATOM 0 H ALA A 131 8.997 -2.413 6.649 1.00 0.37 H new ATOM 0 HA ALA A 131 6.213 -1.700 7.184 1.00 0.45 H new ATOM 0 HB1 ALA A 131 6.996 -2.203 9.491 1.00 0.54 H new ATOM 0 HB2 ALA A 131 7.614 -3.432 8.361 1.00 0.54 H new ATOM 0 HB3 ALA A 131 8.687 -2.136 8.941 1.00 0.54 H new ATOM 1889 N ALA A 132 8.550 0.511 7.805 1.00 0.44 N ATOM 1890 CA ALA A 132 8.730 1.953 8.132 1.00 0.50 C ATOM 1891 C ALA A 132 8.452 2.792 6.883 1.00 0.45 C ATOM 1892 O ALA A 132 7.999 3.916 6.965 1.00 0.47 O ATOM 1893 CB ALA A 132 10.190 2.090 8.564 1.00 0.57 C ATOM 0 H ALA A 132 9.408 0.008 7.577 1.00 0.44 H new ATOM 0 HA ALA A 132 8.053 2.296 8.914 1.00 0.50 H new ATOM 0 HB1 ALA A 132 10.397 3.129 8.821 1.00 0.57 H new ATOM 0 HB2 ALA A 132 10.373 1.458 9.433 1.00 0.57 H new ATOM 0 HB3 ALA A 132 10.842 1.781 7.747 1.00 0.57 H new ATOM 1899 N ALA A 133 8.721 2.250 5.728 1.00 0.44 N ATOM 1900 CA ALA A 133 8.472 3.009 4.470 1.00 0.44 C ATOM 1901 C ALA A 133 6.971 3.023 4.171 1.00 0.41 C ATOM 1902 O ALA A 133 6.424 4.018 3.738 1.00 0.38 O ATOM 1903 CB ALA A 133 9.235 2.251 3.383 1.00 0.49 C ATOM 0 H ALA A 133 9.103 1.313 5.600 1.00 0.44 H new ATOM 0 HA ALA A 133 8.800 4.047 4.535 1.00 0.44 H new ATOM 0 HB1 ALA A 133 9.098 2.753 2.425 1.00 0.49 H new ATOM 0 HB2 ALA A 133 10.296 2.228 3.632 1.00 0.49 H new ATOM 0 HB3 ALA A 133 8.856 1.231 3.316 1.00 0.49 H new ATOM 1909 N TYR A 134 6.299 1.927 4.401 1.00 0.49 N ATOM 1910 CA TYR A 134 4.834 1.883 4.131 1.00 0.52 C ATOM 1911 C TYR A 134 4.146 3.025 4.882 1.00 0.51 C ATOM 1912 O TYR A 134 3.113 3.518 4.474 1.00 0.54 O ATOM 1913 CB TYR A 134 4.365 0.526 4.659 1.00 0.70 C ATOM 1914 CG TYR A 134 4.371 -0.482 3.534 1.00 0.92 C ATOM 1915 CD1 TYR A 134 5.493 -0.601 2.705 1.00 1.82 C ATOM 1916 CD2 TYR A 134 3.253 -1.299 3.320 1.00 1.88 C ATOM 1917 CE1 TYR A 134 5.498 -1.536 1.663 1.00 2.71 C ATOM 1918 CE2 TYR A 134 3.259 -2.233 2.277 1.00 2.77 C ATOM 1919 CZ TYR A 134 4.381 -2.352 1.449 1.00 3.00 C ATOM 1920 OH TYR A 134 4.386 -3.274 0.422 1.00 4.08 O ATOM 0 H TYR A 134 6.701 1.062 4.763 1.00 0.49 H new ATOM 0 HA TYR A 134 4.598 1.999 3.073 1.00 0.52 H new ATOM 0 HB2 TYR A 134 5.019 0.192 5.465 1.00 0.70 H new ATOM 0 HB3 TYR A 134 3.362 0.614 5.078 1.00 0.70 H new ATOM 0 HD1 TYR A 134 6.355 0.029 2.869 1.00 1.82 H new ATOM 0 HD2 TYR A 134 2.387 -1.208 3.959 1.00 1.88 H new ATOM 0 HE1 TYR A 134 6.364 -1.628 1.024 1.00 2.71 H new ATOM 0 HE2 TYR A 134 2.397 -2.862 2.111 1.00 2.77 H new ATOM 0 HH TYR A 134 3.705 -3.031 -0.239 1.00 4.08 H new ATOM 1930 N ALA A 135 4.714 3.452 5.977 1.00 0.54 N ATOM 1931 CA ALA A 135 4.098 4.564 6.753 1.00 0.60 C ATOM 1932 C ALA A 135 4.255 5.874 5.979 1.00 0.54 C ATOM 1933 O ALA A 135 3.412 6.747 6.039 1.00 0.60 O ATOM 1934 CB ALA A 135 4.873 4.615 8.071 1.00 0.72 C ATOM 0 H ALA A 135 5.579 3.078 6.367 1.00 0.54 H new ATOM 0 HA ALA A 135 3.032 4.415 6.925 1.00 0.60 H new ATOM 0 HB1 ALA A 135 4.474 5.413 8.697 1.00 0.72 H new ATOM 0 HB2 ALA A 135 4.772 3.662 8.590 1.00 0.72 H new ATOM 0 HB3 ALA A 135 5.926 4.806 7.867 1.00 0.72 H new ATOM 1940 N ASP A 136 5.328 6.017 5.250 1.00 0.47 N ATOM 1941 CA ASP A 136 5.537 7.269 4.470 1.00 0.49 C ATOM 1942 C ASP A 136 4.726 7.203 3.175 1.00 0.43 C ATOM 1943 O ASP A 136 4.153 8.182 2.740 1.00 0.47 O ATOM 1944 CB ASP A 136 7.037 7.315 4.172 1.00 0.52 C ATOM 1945 CG ASP A 136 7.764 8.100 5.266 1.00 0.87 C ATOM 1946 OD1 ASP A 136 7.432 7.909 6.424 1.00 1.52 O ATOM 1947 OD2 ASP A 136 8.641 8.877 4.927 1.00 1.44 O ATOM 0 H ASP A 136 6.068 5.321 5.161 1.00 0.47 H new ATOM 0 HA ASP A 136 5.214 8.159 5.010 1.00 0.49 H new ATOM 0 HB2 ASP A 136 7.436 6.302 4.114 1.00 0.52 H new ATOM 0 HB3 ASP A 136 7.209 7.782 3.202 1.00 0.52 H new ATOM 1952 N ILE A 137 4.668 6.054 2.560 1.00 0.35 N ATOM 1953 CA ILE A 137 3.887 5.926 1.298 1.00 0.32 C ATOM 1954 C ILE A 137 2.401 6.124 1.602 1.00 0.32 C ATOM 1955 O ILE A 137 1.754 6.996 1.059 1.00 0.38 O ATOM 1956 CB ILE A 137 4.156 4.502 0.803 1.00 0.28 C ATOM 1957 CG1 ILE A 137 5.598 4.403 0.300 1.00 0.32 C ATOM 1958 CG2 ILE A 137 3.195 4.160 -0.339 1.00 0.28 C ATOM 1959 CD1 ILE A 137 6.011 2.932 0.228 1.00 0.70 C ATOM 0 H ILE A 137 5.127 5.200 2.876 1.00 0.35 H new ATOM 0 HA ILE A 137 4.168 6.666 0.549 1.00 0.32 H new ATOM 0 HB ILE A 137 4.004 3.801 1.624 1.00 0.28 H new ATOM 0 HG12 ILE A 137 5.684 4.865 -0.684 1.00 0.32 H new ATOM 0 HG13 ILE A 137 6.266 4.947 0.968 1.00 0.32 H new ATOM 0 HG21 ILE A 137 3.390 3.146 -0.688 1.00 0.28 H new ATOM 0 HG22 ILE A 137 2.167 4.229 0.017 1.00 0.28 H new ATOM 0 HG23 ILE A 137 3.342 4.861 -1.161 1.00 0.28 H new ATOM 0 HD11 ILE A 137 7.038 2.860 -0.130 1.00 0.70 H new ATOM 0 HD12 ILE A 137 5.940 2.485 1.220 1.00 0.70 H new ATOM 0 HD13 ILE A 137 5.350 2.401 -0.457 1.00 0.70 H new ATOM 1971 N SER A 138 1.858 5.316 2.470 1.00 0.32 N ATOM 1972 CA SER A 138 0.415 5.449 2.815 1.00 0.37 C ATOM 1973 C SER A 138 0.189 6.754 3.583 1.00 0.42 C ATOM 1974 O SER A 138 -0.867 7.350 3.514 1.00 0.55 O ATOM 1975 CB SER A 138 0.093 4.238 3.694 1.00 0.41 C ATOM 1976 OG SER A 138 0.996 3.181 3.393 1.00 1.34 O ATOM 0 H SER A 138 2.352 4.568 2.956 1.00 0.32 H new ATOM 0 HA SER A 138 -0.224 5.478 1.932 1.00 0.37 H new ATOM 0 HB2 SER A 138 0.171 4.508 4.747 1.00 0.41 H new ATOM 0 HB3 SER A 138 -0.933 3.914 3.523 1.00 0.41 H new ATOM 0 HG SER A 138 1.691 3.138 4.082 1.00 1.34 H new ATOM 1982 N GLY A 139 1.174 7.201 4.313 1.00 0.39 N ATOM 1983 CA GLY A 139 1.015 8.466 5.083 1.00 0.45 C ATOM 1984 C GLY A 139 0.940 9.642 4.108 1.00 0.43 C ATOM 1985 O GLY A 139 0.108 10.518 4.239 1.00 0.48 O ATOM 0 H GLY A 139 2.081 6.745 4.409 1.00 0.39 H new ATOM 0 HA2 GLY A 139 0.112 8.424 5.691 1.00 0.45 H new ATOM 0 HA3 GLY A 139 1.854 8.598 5.766 1.00 0.45 H new ATOM 1989 N ALA A 140 1.804 9.670 3.130 1.00 0.45 N ATOM 1990 CA ALA A 140 1.780 10.790 2.148 1.00 0.46 C ATOM 1991 C ALA A 140 0.405 10.859 1.480 1.00 0.40 C ATOM 1992 O ALA A 140 -0.032 11.906 1.044 1.00 0.45 O ATOM 1993 CB ALA A 140 2.865 10.452 1.124 1.00 0.52 C ATOM 0 H ALA A 140 2.525 8.966 2.969 1.00 0.45 H new ATOM 0 HA ALA A 140 1.961 11.758 2.614 1.00 0.46 H new ATOM 0 HB1 ALA A 140 2.907 11.234 0.366 1.00 0.52 H new ATOM 0 HB2 ALA A 140 3.830 10.381 1.626 1.00 0.52 H new ATOM 0 HB3 ALA A 140 2.633 9.499 0.649 1.00 0.52 H new ATOM 1999 N LEU A 141 -0.281 9.752 1.395 1.00 0.38 N ATOM 2000 CA LEU A 141 -1.627 9.758 0.755 1.00 0.38 C ATOM 2001 C LEU A 141 -2.640 10.425 1.689 1.00 0.39 C ATOM 2002 O LEU A 141 -3.704 10.837 1.272 1.00 0.49 O ATOM 2003 CB LEU A 141 -1.979 8.286 0.538 1.00 0.37 C ATOM 2004 CG LEU A 141 -3.309 8.185 -0.211 1.00 0.35 C ATOM 2005 CD1 LEU A 141 -3.333 6.900 -1.040 1.00 0.43 C ATOM 2006 CD2 LEU A 141 -4.460 8.163 0.797 1.00 0.47 C ATOM 0 H LEU A 141 0.032 8.845 1.741 1.00 0.38 H new ATOM 0 HA LEU A 141 -1.639 10.313 -0.183 1.00 0.38 H new ATOM 0 HB2 LEU A 141 -1.191 7.793 -0.031 1.00 0.37 H new ATOM 0 HB3 LEU A 141 -2.049 7.773 1.497 1.00 0.37 H new ATOM 0 HG LEU A 141 -3.420 9.045 -0.872 1.00 0.35 H new ATOM 0 HD11 LEU A 141 -4.281 6.829 -1.573 1.00 0.43 H new ATOM 0 HD12 LEU A 141 -2.513 6.915 -1.758 1.00 0.43 H new ATOM 0 HD13 LEU A 141 -3.222 6.039 -0.380 1.00 0.43 H new ATOM 0 HD21 LEU A 141 -5.408 8.091 0.265 1.00 0.47 H new ATOM 0 HD22 LEU A 141 -4.349 7.303 1.458 1.00 0.47 H new ATOM 0 HD23 LEU A 141 -4.444 9.079 1.388 1.00 0.47 H new ATOM 2018 N ILE A 142 -2.320 10.534 2.950 1.00 0.43 N ATOM 2019 CA ILE A 142 -3.270 11.174 3.904 1.00 0.50 C ATOM 2020 C ILE A 142 -3.213 12.699 3.760 1.00 0.55 C ATOM 2021 O ILE A 142 -3.902 13.420 4.453 1.00 0.72 O ATOM 2022 CB ILE A 142 -2.799 10.744 5.294 1.00 0.55 C ATOM 2023 CG1 ILE A 142 -2.670 9.220 5.340 1.00 0.59 C ATOM 2024 CG2 ILE A 142 -3.818 11.200 6.339 1.00 0.67 C ATOM 2025 CD1 ILE A 142 -2.167 8.791 6.719 1.00 1.33 C ATOM 0 H ILE A 142 -1.444 10.209 3.360 1.00 0.43 H new ATOM 0 HA ILE A 142 -4.302 10.875 3.720 1.00 0.50 H new ATOM 0 HB ILE A 142 -1.831 11.197 5.507 1.00 0.55 H new ATOM 0 HG12 ILE A 142 -3.635 8.757 5.133 1.00 0.59 H new ATOM 0 HG13 ILE A 142 -1.980 8.879 4.568 1.00 0.59 H new ATOM 0 HG21 ILE A 142 -3.484 10.894 7.331 1.00 0.67 H new ATOM 0 HG22 ILE A 142 -3.912 12.285 6.306 1.00 0.67 H new ATOM 0 HG23 ILE A 142 -4.786 10.746 6.126 1.00 0.67 H new ATOM 0 HD11 ILE A 142 -2.075 7.705 6.751 1.00 1.33 H new ATOM 0 HD12 ILE A 142 -1.193 9.243 6.908 1.00 1.33 H new ATOM 0 HD13 ILE A 142 -2.873 9.118 7.482 1.00 1.33 H new ATOM 2037 N SER A 143 -2.401 13.201 2.866 1.00 0.55 N ATOM 2038 CA SER A 143 -2.314 14.677 2.688 1.00 0.64 C ATOM 2039 C SER A 143 -3.591 15.184 2.016 1.00 0.64 C ATOM 2040 O SER A 143 -4.259 16.067 2.515 1.00 0.85 O ATOM 2041 CB SER A 143 -1.099 14.905 1.789 1.00 0.67 C ATOM 2042 OG SER A 143 0.062 15.051 2.596 1.00 1.08 O ATOM 0 H SER A 143 -1.797 12.653 2.254 1.00 0.55 H new ATOM 0 HA SER A 143 -2.211 15.209 3.634 1.00 0.64 H new ATOM 0 HB2 SER A 143 -0.977 14.066 1.104 1.00 0.67 H new ATOM 0 HB3 SER A 143 -1.246 15.796 1.179 1.00 0.67 H new ATOM 0 HG SER A 143 0.843 15.196 2.022 1.00 1.08 H new ATOM 2048 N GLY A 144 -3.936 14.629 0.887 1.00 0.56 N ATOM 2049 CA GLY A 144 -5.172 15.075 0.185 1.00 0.61 C ATOM 2050 C GLY A 144 -6.346 14.180 0.599 1.00 0.61 C ATOM 2051 O GLY A 144 -7.419 14.253 0.035 1.00 0.80 O ATOM 0 H GLY A 144 -3.416 13.886 0.420 1.00 0.56 H new ATOM 0 HA2 GLY A 144 -5.388 16.114 0.432 1.00 0.61 H new ATOM 0 HA3 GLY A 144 -5.027 15.027 -0.894 1.00 0.61 H new ATOM 2055 N LEU A 145 -6.156 13.336 1.579 1.00 0.55 N ATOM 2056 CA LEU A 145 -7.266 12.444 2.019 1.00 0.61 C ATOM 2057 C LEU A 145 -8.100 13.154 3.089 1.00 0.77 C ATOM 2058 O LEU A 145 -7.730 14.199 3.586 1.00 1.60 O ATOM 2059 CB LEU A 145 -6.577 11.205 2.595 1.00 0.65 C ATOM 2060 CG LEU A 145 -7.620 10.131 2.915 1.00 0.66 C ATOM 2061 CD1 LEU A 145 -8.466 9.848 1.671 1.00 1.25 C ATOM 2062 CD2 LEU A 145 -6.910 8.846 3.347 1.00 1.30 C ATOM 0 H LEU A 145 -5.281 13.227 2.092 1.00 0.55 H new ATOM 0 HA LEU A 145 -7.943 12.181 1.207 1.00 0.61 H new ATOM 0 HB2 LEU A 145 -5.850 10.817 1.881 1.00 0.65 H new ATOM 0 HB3 LEU A 145 -6.027 11.471 3.498 1.00 0.65 H new ATOM 0 HG LEU A 145 -8.265 10.483 3.720 1.00 0.66 H new ATOM 0 HD11 LEU A 145 -9.208 9.083 1.902 1.00 1.25 H new ATOM 0 HD12 LEU A 145 -8.972 10.762 1.359 1.00 1.25 H new ATOM 0 HD13 LEU A 145 -7.822 9.497 0.865 1.00 1.25 H new ATOM 0 HD21 LEU A 145 -7.651 8.080 3.575 1.00 1.30 H new ATOM 0 HD22 LEU A 145 -6.265 8.498 2.540 1.00 1.30 H new ATOM 0 HD23 LEU A 145 -6.308 9.044 4.234 1.00 1.30 H new ATOM 2074 N GLN A 146 -9.224 12.595 3.446 1.00 0.94 N ATOM 2075 CA GLN A 146 -10.082 13.238 4.481 1.00 1.00 C ATOM 2076 C GLN A 146 -10.442 14.659 4.041 1.00 1.11 C ATOM 2077 O GLN A 146 -9.835 15.623 4.464 1.00 1.39 O ATOM 2078 CB GLN A 146 -9.233 13.262 5.754 1.00 1.20 C ATOM 2079 CG GLN A 146 -8.707 11.855 6.042 1.00 1.21 C ATOM 2080 CD GLN A 146 -7.259 11.729 5.565 1.00 1.19 C ATOM 2081 OE1 GLN A 146 -6.712 10.548 5.485 1.00 1.98 O flip ATOM 2082 NE2 GLN A 146 -6.619 12.717 5.261 1.00 1.03 N flip ATOM 0 H GLN A 146 -9.585 11.720 3.065 1.00 0.94 H new ATOM 0 HA GLN A 146 -11.018 12.702 4.638 1.00 1.00 H new ATOM 0 HB2 GLN A 146 -8.401 13.956 5.636 1.00 1.20 H new ATOM 0 HB3 GLN A 146 -9.828 13.618 6.595 1.00 1.20 H new ATOM 0 HG2 GLN A 146 -8.766 11.648 7.110 1.00 1.21 H new ATOM 0 HG3 GLN A 146 -9.330 11.115 5.539 1.00 1.21 H new ATOM 0 HE21 GLN A 146 -7.047 13.641 5.323 1.00 1.03 H new ATOM 0 HE22 GLN A 146 -5.654 12.622 4.943 1.00 1.03 H new ATOM 2091 N SER A 147 -11.426 14.796 3.195 1.00 1.25 N ATOM 2092 CA SER A 147 -11.825 16.155 2.728 1.00 1.72 C ATOM 2093 C SER A 147 -12.005 17.081 3.933 1.00 2.22 C ATOM 2094 O SER A 147 -12.553 16.630 4.925 1.00 2.93 O ATOM 2095 CB SER A 147 -13.151 15.955 1.995 1.00 2.49 C ATOM 2096 OG SER A 147 -13.158 16.745 0.813 1.00 3.23 O ATOM 2097 OXT SER A 147 -11.593 18.226 3.842 1.00 2.64 O ATOM 0 H SER A 147 -11.971 14.026 2.807 1.00 1.25 H new ATOM 0 HA SER A 147 -11.076 16.611 2.080 1.00 1.72 H new ATOM 0 HB2 SER A 147 -13.286 14.903 1.744 1.00 2.49 H new ATOM 0 HB3 SER A 147 -13.983 16.238 2.640 1.00 2.49 H new ATOM 0 HG SER A 147 -13.938 16.512 0.268 1.00 3.23 H new TER 2103 SER A 147 HETATM 2104 FE HEM A 148 -7.479 2.760 -1.729 1.00 0.16 FE HETATM 2105 CHA HEM A 148 -8.916 2.730 -4.790 1.00 0.22 C HETATM 2106 CHB HEM A 148 -10.503 2.244 -0.305 1.00 0.17 C HETATM 2107 CHC HEM A 148 -6.034 2.731 1.329 1.00 0.15 C HETATM 2108 CHD HEM A 148 -4.456 3.291 -3.152 1.00 0.20 C HETATM 2109 NA HEM A 148 -9.305 2.538 -2.399 1.00 0.18 N HETATM 2110 C1A HEM A 148 -9.736 2.550 -3.705 1.00 0.20 C HETATM 2111 C2A HEM A 148 -11.163 2.354 -3.794 1.00 0.22 C HETATM 2112 C3A HEM A 148 -11.610 2.222 -2.531 1.00 0.20 C HETATM 2113 C4A HEM A 148 -10.456 2.336 -1.673 1.00 0.18 C HETATM 2114 CMA HEM A 148 -13.020 2.002 -2.103 1.00 0.22 C HETATM 2115 CAA HEM A 148 -11.980 2.307 -5.039 1.00 0.26 C HETATM 2116 CBA HEM A 148 -13.056 1.220 -4.989 1.00 1.33 C HETATM 2117 CGA HEM A 148 -13.365 0.756 -6.386 1.00 1.59 C HETATM 2118 O1A HEM A 148 -12.480 0.107 -7.003 1.00 2.12 O HETATM 2119 O2A HEM A 148 -14.495 1.040 -6.867 1.00 2.09 O HETATM 2120 NB HEM A 148 -8.126 2.544 0.105 1.00 0.15 N HETATM 2121 C1B HEM A 148 -9.418 2.337 0.529 1.00 0.15 C HETATM 2122 C2B HEM A 148 -9.491 2.214 1.964 1.00 0.16 C HETATM 2123 C3B HEM A 148 -8.234 2.347 2.426 1.00 0.16 C HETATM 2124 C4B HEM A 148 -7.393 2.551 1.270 1.00 0.15 C HETATM 2125 CMB HEM A 148 -10.717 1.973 2.775 1.00 0.18 C HETATM 2126 CAB HEM A 148 -7.829 2.291 3.744 1.00 0.17 C HETATM 2127 CBB HEM A 148 -7.219 1.163 4.253 1.00 0.21 C HETATM 2128 NC HEM A 148 -5.651 2.972 -1.059 1.00 0.16 N HETATM 2129 C1C HEM A 148 -5.216 2.929 0.245 1.00 0.16 C HETATM 2130 C2C HEM A 148 -3.787 3.120 0.333 1.00 0.17 C HETATM 2131 C3C HEM A 148 -3.345 3.286 -0.928 1.00 0.18 C HETATM 2132 C4C HEM A 148 -4.502 3.190 -1.784 1.00 0.18 C HETATM 2133 CMC HEM A 148 -2.963 3.123 1.575 1.00 0.19 C HETATM 2134 CAC HEM A 148 -2.042 3.510 -1.324 1.00 0.20 C HETATM 2135 CBC HEM A 148 -1.089 2.515 -1.235 1.00 0.25 C HETATM 2136 ND HEM A 148 -6.830 2.968 -3.565 1.00 0.19 N HETATM 2137 C1D HEM A 148 -5.540 3.187 -3.988 1.00 0.20 C HETATM 2138 C2D HEM A 148 -5.464 3.285 -5.426 1.00 0.24 C HETATM 2139 C3D HEM A 148 -6.719 3.123 -5.887 1.00 0.25 C HETATM 2140 C4D HEM A 148 -7.559 2.928 -4.731 1.00 0.22 C HETATM 2141 CMD HEM A 148 -4.238 3.519 -6.240 1.00 0.26 C HETATM 2142 CAD HEM A 148 -7.154 3.140 -7.312 1.00 0.29 C HETATM 2143 CBD HEM A 148 -7.105 4.544 -7.919 1.00 1.39 C HETATM 2144 CGD HEM A 148 -7.031 4.439 -9.418 1.00 1.87 C HETATM 2145 O1D HEM A 148 -8.097 4.208 -10.048 1.00 2.44 O HETATM 2146 O2D HEM A 148 -5.906 4.589 -9.966 1.00 2.44 O HETATM 0 HMA1 HEM A 148 -13.034 1.430 -1.175 1.00 0.22 H new HETATM 0 HMA2 HEM A 148 -13.553 1.450 -2.877 1.00 0.22 H new HETATM 0 HMA3 HEM A 148 -13.506 2.964 -1.943 1.00 0.22 H new HETATM 0 HMB1 HEM A 148 -10.454 1.420 3.677 1.00 0.18 H new HETATM 0 HMB2 HEM A 148 -11.432 1.395 2.190 1.00 0.18 H new HETATM 0 HMB3 HEM A 148 -11.163 2.928 3.052 1.00 0.18 H new HETATM 0 HMC1 HEM A 148 -3.564 3.485 2.409 1.00 0.19 H new HETATM 0 HMC2 HEM A 148 -2.101 3.776 1.438 1.00 0.19 H new HETATM 0 HMC3 HEM A 148 -2.621 2.110 1.787 1.00 0.19 H new HETATM 0 HMD1 HEM A 148 -4.350 3.040 -7.213 1.00 0.26 H new HETATM 0 HMD2 HEM A 148 -3.374 3.098 -5.726 1.00 0.26 H new HETATM 0 HMD3 HEM A 148 -4.092 4.590 -6.378 1.00 0.26 H new HETATM 0 HBB1 HEM A 148 -6.906 1.137 5.297 1.00 0.21 H new HETATM 0 HBB2 HEM A 148 -7.050 0.298 3.611 1.00 0.21 H new HETATM 0 HBC1 HEM A 148 -0.065 2.711 -1.553 1.00 0.25 H new HETATM 0 HBC2 HEM A 148 -1.361 1.533 -0.847 1.00 0.25 H new HETATM 0 HBA1 HEM A 148 -13.958 1.608 -4.515 1.00 1.33 H new HETATM 0 HBA2 HEM A 148 -12.713 0.381 -4.383 1.00 1.33 H new HETATM 0 HAA1 HEM A 148 -11.326 2.129 -5.893 1.00 0.26 H new HETATM 0 HAA2 HEM A 148 -12.453 3.276 -5.197 1.00 0.26 H new HETATM 0 HBD1 HEM A 148 -6.240 5.087 -7.538 1.00 1.39 H new HETATM 0 HBD2 HEM A 148 -7.990 5.110 -7.626 1.00 1.39 H new HETATM 0 HAD1 HEM A 148 -8.170 2.751 -7.384 1.00 0.29 H new HETATM 0 HAD2 HEM A 148 -6.516 2.474 -7.892 1.00 0.29 H new HETATM 0 HHA HEM A 148 -9.374 2.715 -5.768 1.00 0.22 H new HETATM 0 HHB HEM A 148 -11.469 2.086 0.151 1.00 0.17 H new HETATM 0 HHC HEM A 148 -5.572 2.716 2.305 1.00 0.15 H new HETATM 0 HHD HEM A 148 -3.492 3.466 -3.606 1.00 0.20 H new HETATM 0 HAB HEM A 148 -7.994 3.151 4.393 1.00 0.17 H new HETATM 0 HAC HEM A 148 -1.761 4.488 -1.713 1.00 0.20 H new HETATM 2177 C CMO A 149 -7.210 0.882 -1.850 1.00 0.17 C HETATM 2178 O CMO A 149 -7.051 -0.232 -1.921 1.00 0.19 O CONECT 1261 2104 CONECT 2104 1261 2109 2120 2128 CONECT 2104 2136 2177 2178 CONECT 2105 2110 2140 2147 CONECT 2106 2113 2121 2148 CONECT 2107 2124 2129 2149 CONECT 2108 2132 2137 2150 CONECT 2109 2104 2110 2113 CONECT 2110 2105 2109 2111 CONECT 2111 2110 2112 2115 CONECT 2112 2111 2113 2114 CONECT 2113 2106 2109 2112 CONECT 2114 2112 2151 2152 2153 CONECT 2115 2111 2116 2154 2155 CONECT 2116 2115 2117 2156 2157 CONECT 2117 2116 2118 2119 CONECT 2118 2117 CONECT 2119 2117 CONECT 2120 2104 2121 2124 CONECT 2121 2106 2120 2122 CONECT 2122 2121 2123 2125 CONECT 2123 2122 2124 2126 CONECT 2124 2107 2120 2123 CONECT 2125 2122 2158 2159 2160 CONECT 2126 2123 2127 2161 CONECT 2127 2126 2162 2163 CONECT 2128 2104 2129 2132 CONECT 2129 2107 2128 2130 CONECT 2130 2129 2131 2133 CONECT 2131 2130 2132 2134 CONECT 2132 2108 2128 2131 CONECT 2133 2130 2164 2165 2166 CONECT 2134 2131 2135 2167 CONECT 2135 2134 2168 2169 CONECT 2136 2104 2137 2140 CONECT 2137 2108 2136 2138 CONECT 2138 2137 2139 2141 CONECT 2139 2138 2140 2142 CONECT 2140 2105 2136 2139 CONECT 2141 2138 2170 2171 2172 CONECT 2142 2139 2143 2173 2174 CONECT 2143 2142 2144 2175 2176 CONECT 2144 2143 2145 2146 CONECT 2145 2144 CONECT 2146 2144 CONECT 2147 2105 CONECT 2148 2106 CONECT 2149 2107 CONECT 2150 2108 CONECT 2151 2114 CONECT 2152 2114 CONECT 2153 2114 CONECT 2154 2115 CONECT 2155 2115 CONECT 2156 2116 CONECT 2157 2116 CONECT 2158 2125 CONECT 2159 2125 CONECT 2160 2125 CONECT 2161 2126 CONECT 2162 2127 CONECT 2163 2127 CONECT 2164 2133 CONECT 2165 2133 CONECT 2166 2133 CONECT 2167 2134 CONECT 2168 2135 CONECT 2169 2135 CONECT 2170 2141 CONECT 2171 2141 CONECT 2172 2141 CONECT 2173 2142 CONECT 2174 2142 CONECT 2175 2143 CONECT 2176 2143 CONECT 2177 2104 2178 CONECT 2178 2104 2177 END