USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) HEADER IMMUNOGLOBULIN-BINDING PROTEIN 02-AUG-01 1GJT TITLE SOLUTION STRUCTURE OF THE ALBUMIN BINDING DOMAIN OF TITLE 2 STREPTOCOCCAL PROTEIN G COMPND MOL_ID: 1; COMPND 2 MOLECULE: IMMUNOGLOBULIN G BINDING PROTEIN G; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ALBUMIN-BINDING DOMAIN; COMPND 5 SYNONYM: ABD, ALBUMIN-BINDING DOMAIN OF PROTEIN G, IGG COMPND 6 BINDING PROTEIN G; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. 'GROUP G'; SOURCE 3 ORGANISM_TAXID: 1320; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS IMMUNOGLOBULIN-BINDING PROTEIN, BACTERIAL SURFACE PROTEIN, KEYWDS 2 ALBUMIN BINDING, PROTEIN G EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.U.JOHANSSON,I.M.FRICK,H.NILSSON,P.J.KRAULIS,S.HOBER, AUTHOR 2 P.JONASSON,P.A.NYGREN,M.UHLEN,L.BJORCK,T.DRAKENBERG,S.FORSEN, AUTHOR 3 M.WIKSTROM REVDAT 4 08-APR-15 1GJT 1 AUTHOR REMARK VERSN REVDAT 3 24-FEB-09 1GJT 1 VERSN REVDAT 2 05-APR-05 1GJT 1 JRNL REMARK REVDAT 1 09-AUG-01 1GJT 0 JRNL AUTH M.JOHANSSON,I.FRICK,H.NILSSON,P.KRAULIS,S.HOBER, JRNL AUTH 2 P.JONASSON,M.LINHULT,P.NYGREN,M.UHLEN,L.BJORCK, JRNL AUTH 3 T.DRAKENBERG,S.FORSEN,M.WIKSTROM JRNL TITL STRUCTURE, SPECIFICITY, AND MODE OF INTERACTION JRNL TITL 2 FOR BACTERIAL ALBUMIN-BINDING MODULES JRNL REF J.BIOL.CHEM. V. 277 8114 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 11751858 JRNL DOI 10.1074/JBC.M109943200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT CAN BE FOUND IN THE JRNL REMARK 3 CITATION ABOVE. REMARK 4 REMARK 4 1GJT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 02-AUG-01. REMARK 100 THE PDBE ID CODE IS EBI-8420. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCACB, CBCA(CO)NH, REMARK 210 3D HCC(CO)NH-TOCSY, REMARK 210 3D CC(CO)NH-TOCSY, REMARK 210 15N-; 13C EDITED 3D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 REMARK 210 SPECTROMETER MODEL : UNITY 600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 RESTRAINED SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE REMARK 210 NMR SPECTROSCOPY ON 13C, 15N-LABELED ABD. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 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 ALA A 3 159.98 -39.95 REMARK 500 VAL A 6 -147.56 -67.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FCC RELATED DB: PDB REMARK 900 REMARK 900 RELATED ID: 1FCL RELATED DB: PDB REMARK 900 DELTA1.5: A COMPUTATIONALLY DESIGNED CORE REMARK 900 VARIANT OF THE B1DOMAIN OF STREPTOCOCCAL REMARK 900 PROTEIN G REMARK 900 RELATED ID: 1FD6 RELATED DB: PDB REMARK 900 DELTA0: A COMPUTATIONALLY DESIGNED CORE REMARK 900 VARIANT OF THE B1DOMAIN OF STREPTOCOCCAL REMARK 900 PROTEIN G REMARK 900 RELATED ID: 1GB4 RELATED DB: PDB REMARK 900 HYPERTHERMOPHILIC VARIANT OF THE B1 DOMAIN REMARK 900 FROMSTREPTOCOCCAL PROTEIN G, NMR, 47 REMARK 900 STRUCTURES REMARK 900 RELATED ID: 1GJS RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE ALBUMIN BINDING REMARK 900 DOMAIN OF STREPTOCOCCAL PROTEIN G REMARK 900 RELATED ID: 1GJT RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE ALBUMIN BINDING REMARK 900 DOMAIN OF STREPTOCOCCAL PROTEIN G REMARK 900 RELATED ID: 1IBX RELATED DB: PDB REMARK 900 NMR STRUCTURE OF DFF40 AND DFF45 N- REMARK 900 TERMINAL DOMAIN COMPLEX REMARK 900 RELATED ID: 1P7E RELATED DB: PDB REMARK 900 GB3 SOLUTION STRUCTURE OBTAINED BY REFINEMENT REMARK 900 OF X-RAYSTRUCTURE WITH DIPOLAR COUPLINGS REMARK 900 RELATED ID: 1P7F RELATED DB: PDB REMARK 900 GB3 SOLUTION STRUCTURE OBTAINED BY REFINEMENT REMARK 900 OF X-RAYSTRUCTURE WITH DIPOLAR COUPLINGS REMARK 900 RELATED ID: 2IGG RELATED DB: PDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 RESIDUES 1 TO 19 ARE DERIVED FROM THE CLONING REMARK 999 CONSTRUCT (KRAULIS ET AL., FEBS LETTERS (1996) 378, 190-194 DBREF 1GJT A 1 19 PDB 1GJT 1GJT 1 19 DBREF 1GJT A 20 65 UNP P19909 SPG2_STRSP 254 299 SEQRES 1 A 65 MET LYS ALA ILE PHE VAL LEU ASN ALA GLN HIS ASP GLU SEQRES 2 A 65 ALA VAL ASP ALA ASN SER LEU ALA GLU ALA LYS VAL LEU SEQRES 3 A 65 ALA ASN ARG GLU LEU ASP LYS TYR GLY VAL SER ASP TYR SEQRES 4 A 65 TYR LYS ASN LEU ILE ASN ASN ALA LYS THR VAL GLU GLY SEQRES 5 A 65 VAL LYS ALA LEU ILE ASP GLU ILE LEU ALA ALA LEU PRO HELIX 1 1 SER A 19 TYR A 34 1 16 HELIX 2 2 ASP A 38 ASN A 45 1 8 HELIX 3 3 VAL A 50 ALA A 63 1 14 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.101 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -152:sc= -0.22 (180deg=-1.34!) USER MOD Single : A 8 ASN : amide:sc= -1.8 K(o=-1.8,f=-3!) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.222 F(o=-1.3,f=-0.22) USER MOD Single : A 11 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.67) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -44:sc= 0.47 USER MOD Single : A 24 LYS NZ :NH3+ 138:sc= 0.302 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.33 K(o=-2.3,f=-6.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0263 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0137 F(o=-1.8!,f=-0.014) USER MOD Single : A 45 ASN : amide:sc= -0.03 K(o=-0.03,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -0.443 K(o=-0.44,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= -1.86 (180deg=-4.24!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.098 14.025 -9.654 1.00 21.30 N ATOM 2 CA MET A 1 33.495 14.504 -9.452 1.00 21.02 C ATOM 3 C MET A 1 34.463 13.331 -9.625 1.00 20.37 C ATOM 4 O MET A 1 34.094 12.182 -9.484 1.00 20.39 O ATOM 5 CB MET A 1 33.635 15.086 -8.041 1.00 21.44 C ATOM 6 CG MET A 1 34.983 15.802 -7.909 1.00 21.88 C ATOM 7 SD MET A 1 35.128 16.521 -6.254 1.00 22.37 S ATOM 8 CE MET A 1 36.840 17.089 -6.405 1.00 22.77 C ATOM 0 H1 MET A 1 31.718 14.424 -10.536 1.00 21.30 H new ATOM 0 H2 MET A 1 32.092 12.987 -9.713 1.00 21.30 H new ATOM 0 H3 MET A 1 31.508 14.329 -8.854 1.00 21.30 H new ATOM 0 HA MET A 1 33.728 15.276 -10.185 1.00 21.02 H new ATOM 0 HB2 MET A 1 32.821 15.783 -7.842 1.00 21.44 H new ATOM 0 HB3 MET A 1 33.561 14.290 -7.300 1.00 21.44 H new ATOM 0 HG2 MET A 1 35.798 15.100 -8.084 1.00 21.88 H new ATOM 0 HG3 MET A 1 35.067 16.583 -8.665 1.00 21.88 H new ATOM 0 HE1 MET A 1 37.146 17.574 -5.478 1.00 22.77 H new ATOM 0 HE2 MET A 1 37.490 16.236 -6.600 1.00 22.77 H new ATOM 0 HE3 MET A 1 36.916 17.799 -7.228 1.00 22.77 H new ATOM 20 N LYS A 2 35.699 13.613 -9.928 1.00 19.90 N ATOM 21 CA LYS A 2 36.695 12.521 -10.109 1.00 19.38 C ATOM 22 C LYS A 2 36.811 11.715 -8.812 1.00 18.83 C ATOM 23 O LYS A 2 36.979 10.512 -8.836 1.00 18.89 O ATOM 24 CB LYS A 2 38.057 13.121 -10.469 1.00 19.49 C ATOM 25 CG LYS A 2 37.996 13.704 -11.887 1.00 19.58 C ATOM 26 CD LYS A 2 39.388 14.180 -12.331 1.00 19.81 C ATOM 27 CE LYS A 2 39.700 15.555 -11.729 1.00 19.99 C ATOM 28 NZ LYS A 2 38.651 16.530 -12.146 1.00 20.19 N ATOM 0 H LYS A 2 36.064 14.557 -10.059 1.00 19.90 H new ATOM 0 HA LYS A 2 36.369 11.863 -10.915 1.00 19.38 H new ATOM 0 HB2 LYS A 2 38.324 13.900 -9.755 1.00 19.49 H new ATOM 0 HB3 LYS A 2 38.831 12.356 -10.411 1.00 19.49 H new ATOM 0 HG2 LYS A 2 37.624 12.950 -12.581 1.00 19.58 H new ATOM 0 HG3 LYS A 2 37.294 14.537 -11.915 1.00 19.58 H new ATOM 0 HD2 LYS A 2 40.143 13.459 -12.018 1.00 19.81 H new ATOM 0 HD3 LYS A 2 39.431 14.234 -13.419 1.00 19.81 H new ATOM 0 HE2 LYS A 2 39.738 15.488 -10.642 1.00 19.99 H new ATOM 0 HE3 LYS A 2 40.681 15.895 -12.061 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 39.057 17.487 -12.170 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 38.300 16.279 -13.092 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 37.864 16.505 -11.467 1.00 20.19 H new ATOM 42 N ALA A 3 36.733 12.374 -7.683 1.00 18.43 N ATOM 43 CA ALA A 3 36.844 11.664 -6.370 1.00 18.03 C ATOM 44 C ALA A 3 36.095 10.325 -6.416 1.00 17.59 C ATOM 45 O ALA A 3 35.241 10.105 -7.252 1.00 17.73 O ATOM 46 CB ALA A 3 36.245 12.541 -5.269 1.00 18.23 C ATOM 0 H ALA A 3 36.596 13.382 -7.613 1.00 18.43 H new ATOM 0 HA ALA A 3 37.897 11.471 -6.163 1.00 18.03 H new ATOM 0 HB1 ALA A 3 36.324 12.027 -4.311 1.00 18.23 H new ATOM 0 HB2 ALA A 3 36.788 13.485 -5.220 1.00 18.23 H new ATOM 0 HB3 ALA A 3 35.196 12.737 -5.490 1.00 18.23 H new ATOM 52 N ILE A 4 36.423 9.430 -5.524 1.00 17.22 N ATOM 53 CA ILE A 4 35.753 8.097 -5.503 1.00 16.95 C ATOM 54 C ILE A 4 34.421 8.190 -4.758 1.00 16.44 C ATOM 55 O ILE A 4 34.298 8.883 -3.767 1.00 16.48 O ATOM 56 CB ILE A 4 36.658 7.094 -4.787 1.00 17.23 C ATOM 57 CG1 ILE A 4 37.977 6.963 -5.551 1.00 17.55 C ATOM 58 CG2 ILE A 4 35.965 5.731 -4.726 1.00 17.35 C ATOM 59 CD1 ILE A 4 39.004 6.247 -4.673 1.00 17.72 C ATOM 0 H ILE A 4 37.132 9.566 -4.803 1.00 17.22 H new ATOM 0 HA ILE A 4 35.568 7.773 -6.527 1.00 16.95 H new ATOM 0 HB ILE A 4 36.857 7.444 -3.774 1.00 17.23 H new ATOM 0 HG12 ILE A 4 37.821 6.406 -6.475 1.00 17.55 H new ATOM 0 HG13 ILE A 4 38.347 7.949 -5.832 1.00 17.55 H new ATOM 0 HG21 ILE A 4 36.611 5.017 -4.215 1.00 17.35 H new ATOM 0 HG22 ILE A 4 35.026 5.825 -4.181 1.00 17.35 H new ATOM 0 HG23 ILE A 4 35.764 5.379 -5.738 1.00 17.35 H new ATOM 0 HD11 ILE A 4 39.944 6.153 -5.216 1.00 17.72 H new ATOM 0 HD12 ILE A 4 39.167 6.822 -3.761 1.00 17.72 H new ATOM 0 HD13 ILE A 4 38.633 5.255 -4.415 1.00 17.72 H new ATOM 71 N PHE A 5 33.422 7.491 -5.224 1.00 16.11 N ATOM 72 CA PHE A 5 32.101 7.534 -4.539 1.00 15.78 C ATOM 73 C PHE A 5 32.267 7.039 -3.100 1.00 15.39 C ATOM 74 O PHE A 5 33.035 6.137 -2.828 1.00 15.53 O ATOM 75 CB PHE A 5 31.108 6.636 -5.281 1.00 15.91 C ATOM 76 CG PHE A 5 30.867 7.194 -6.664 1.00 16.27 C ATOM 77 CD1 PHE A 5 29.857 8.141 -6.870 1.00 16.55 C ATOM 78 CD2 PHE A 5 31.652 6.762 -7.740 1.00 16.49 C ATOM 79 CE1 PHE A 5 29.633 8.658 -8.152 1.00 17.03 C ATOM 80 CE2 PHE A 5 31.428 7.278 -9.022 1.00 16.98 C ATOM 81 CZ PHE A 5 30.418 8.226 -9.228 1.00 17.24 C ATOM 0 H PHE A 5 33.464 6.893 -6.049 1.00 16.11 H new ATOM 0 HA PHE A 5 31.723 8.556 -4.534 1.00 15.78 H new ATOM 0 HB2 PHE A 5 31.499 5.621 -5.349 1.00 15.91 H new ATOM 0 HB3 PHE A 5 30.169 6.580 -4.730 1.00 15.91 H new ATOM 0 HD1 PHE A 5 29.251 8.473 -6.040 1.00 16.55 H new ATOM 0 HD2 PHE A 5 32.430 6.031 -7.581 1.00 16.49 H new ATOM 0 HE1 PHE A 5 28.855 9.390 -8.311 1.00 17.03 H new ATOM 0 HE2 PHE A 5 32.034 6.945 -9.852 1.00 16.98 H new ATOM 0 HZ PHE A 5 30.245 8.624 -10.217 1.00 17.24 H new ATOM 91 N VAL A 6 31.565 7.632 -2.176 1.00 15.04 N ATOM 92 CA VAL A 6 31.692 7.211 -0.751 1.00 14.79 C ATOM 93 C VAL A 6 31.133 5.785 -0.582 1.00 14.55 C ATOM 94 O VAL A 6 31.232 4.967 -1.475 1.00 14.58 O ATOM 95 CB VAL A 6 30.939 8.236 0.129 1.00 14.86 C ATOM 96 CG1 VAL A 6 29.419 7.942 0.162 1.00 15.09 C ATOM 97 CG2 VAL A 6 31.517 8.223 1.557 1.00 15.03 C ATOM 0 H VAL A 6 30.907 8.392 -2.345 1.00 15.04 H new ATOM 0 HA VAL A 6 32.737 7.189 -0.442 1.00 14.79 H new ATOM 0 HB VAL A 6 31.076 9.226 -0.307 1.00 14.86 H new ATOM 0 HG11 VAL A 6 28.919 8.680 0.789 1.00 15.09 H new ATOM 0 HG12 VAL A 6 29.017 7.993 -0.850 1.00 15.09 H new ATOM 0 HG13 VAL A 6 29.250 6.945 0.570 1.00 15.09 H new ATOM 0 HG21 VAL A 6 30.983 8.947 2.172 1.00 15.03 H new ATOM 0 HG22 VAL A 6 31.403 7.228 1.986 1.00 15.03 H new ATOM 0 HG23 VAL A 6 32.574 8.485 1.524 1.00 15.03 H new ATOM 107 N LEU A 7 30.562 5.472 0.551 1.00 14.47 N ATOM 108 CA LEU A 7 30.017 4.098 0.766 1.00 14.40 C ATOM 109 C LEU A 7 28.943 3.818 -0.296 1.00 13.90 C ATOM 110 O LEU A 7 28.112 4.657 -0.581 1.00 13.91 O ATOM 111 CB LEU A 7 29.403 4.036 2.184 1.00 14.97 C ATOM 112 CG LEU A 7 29.388 2.604 2.771 1.00 15.35 C ATOM 113 CD1 LEU A 7 28.940 1.571 1.732 1.00 15.68 C ATOM 114 CD2 LEU A 7 30.779 2.229 3.301 1.00 15.83 C ATOM 0 H LEU A 7 30.449 6.110 1.339 1.00 14.47 H new ATOM 0 HA LEU A 7 30.803 3.348 0.678 1.00 14.40 H new ATOM 0 HB2 LEU A 7 29.968 4.690 2.848 1.00 14.97 H new ATOM 0 HB3 LEU A 7 28.384 4.420 2.150 1.00 14.97 H new ATOM 0 HG LEU A 7 28.670 2.596 3.591 1.00 15.35 H new ATOM 0 HD11 LEU A 7 28.942 0.578 2.182 1.00 15.68 H new ATOM 0 HD12 LEU A 7 27.934 1.812 1.390 1.00 15.68 H new ATOM 0 HD13 LEU A 7 29.625 1.587 0.884 1.00 15.68 H new ATOM 0 HD21 LEU A 7 30.752 1.219 3.711 1.00 15.83 H new ATOM 0 HD22 LEU A 7 31.502 2.271 2.487 1.00 15.83 H new ATOM 0 HD23 LEU A 7 31.072 2.930 4.083 1.00 15.83 H new ATOM 126 N ASN A 8 28.961 2.644 -0.885 1.00 13.63 N ATOM 127 CA ASN A 8 27.950 2.293 -1.936 1.00 13.29 C ATOM 128 C ASN A 8 27.287 0.957 -1.586 1.00 12.82 C ATOM 129 O ASN A 8 27.850 0.135 -0.889 1.00 12.84 O ATOM 130 CB ASN A 8 28.651 2.159 -3.289 1.00 13.45 C ATOM 131 CG ASN A 8 29.257 3.505 -3.692 1.00 13.72 C ATOM 132 OD1 ASN A 8 30.197 3.554 -4.460 1.00 13.79 O ATOM 133 ND2 ASN A 8 28.757 4.606 -3.203 1.00 14.06 N ATOM 0 H ASN A 8 29.638 1.909 -0.681 1.00 13.63 H new ATOM 0 HA ASN A 8 27.194 3.077 -1.984 1.00 13.29 H new ATOM 0 HB2 ASN A 8 29.432 1.401 -3.231 1.00 13.45 H new ATOM 0 HB3 ASN A 8 27.940 1.828 -4.046 1.00 13.45 H new ATOM 0 HD21 ASN A 8 29.155 5.508 -3.465 1.00 14.06 H new ATOM 0 HD22 ASN A 8 27.968 4.565 -2.558 1.00 14.06 H new ATOM 140 N ALA A 9 26.093 0.735 -2.070 1.00 12.57 N ATOM 141 CA ALA A 9 25.384 -0.546 -1.777 1.00 12.28 C ATOM 142 C ALA A 9 25.773 -1.591 -2.825 1.00 11.84 C ATOM 143 O ALA A 9 25.142 -2.622 -2.954 1.00 12.04 O ATOM 144 CB ALA A 9 23.872 -0.313 -1.832 1.00 12.50 C ATOM 0 H ALA A 9 25.576 1.389 -2.658 1.00 12.57 H new ATOM 0 HA ALA A 9 25.664 -0.900 -0.785 1.00 12.28 H new ATOM 0 HB1 ALA A 9 23.352 -1.247 -1.618 1.00 12.50 H new ATOM 0 HB2 ALA A 9 23.592 0.436 -1.091 1.00 12.50 H new ATOM 0 HB3 ALA A 9 23.594 0.038 -2.826 1.00 12.50 H new ATOM 150 N GLN A 10 26.806 -1.330 -3.579 1.00 11.42 N ATOM 151 CA GLN A 10 27.236 -2.302 -4.623 1.00 11.16 C ATOM 152 C GLN A 10 27.591 -3.637 -3.966 1.00 10.55 C ATOM 153 O GLN A 10 27.293 -4.694 -4.485 1.00 10.61 O ATOM 154 CB GLN A 10 28.466 -1.755 -5.354 1.00 11.48 C ATOM 155 CG GLN A 10 28.063 -0.556 -6.217 1.00 11.97 C ATOM 156 CD GLN A 10 27.176 -1.020 -7.377 1.00 12.47 C ATOM 157 OE1 GLN A 10 27.341 -2.214 -7.879 1.00 12.70 O flip ATOM 158 NE2 GLN A 10 26.327 -0.283 -7.836 1.00 12.83 N flip ATOM 0 H GLN A 10 27.372 -0.483 -3.516 1.00 11.42 H new ATOM 0 HA GLN A 10 26.423 -2.451 -5.334 1.00 11.16 H new ATOM 0 HB2 GLN A 10 29.227 -1.457 -4.633 1.00 11.48 H new ATOM 0 HB3 GLN A 10 28.906 -2.533 -5.978 1.00 11.48 H new ATOM 0 HG2 GLN A 10 27.530 0.176 -5.611 1.00 11.97 H new ATOM 0 HG3 GLN A 10 28.953 -0.061 -6.605 1.00 11.97 H new ATOM 0 HE21 GLN A 10 26.196 0.650 -7.445 1.00 12.83 H new ATOM 0 HE22 GLN A 10 25.744 -0.597 -8.612 1.00 12.83 H new ATOM 167 N HIS A 11 28.237 -3.599 -2.833 1.00 10.17 N ATOM 168 CA HIS A 11 28.622 -4.867 -2.153 1.00 9.77 C ATOM 169 C HIS A 11 27.412 -5.801 -2.065 1.00 9.16 C ATOM 170 O HIS A 11 27.377 -6.840 -2.692 1.00 9.25 O ATOM 171 CB HIS A 11 29.120 -4.549 -0.741 1.00 10.00 C ATOM 172 CG HIS A 11 29.471 -5.827 -0.030 1.00 10.27 C ATOM 173 ND1 HIS A 11 30.545 -6.615 -0.413 1.00 10.64 N ATOM 174 CD2 HIS A 11 28.901 -6.466 1.043 1.00 10.49 C ATOM 175 CE1 HIS A 11 30.587 -7.674 0.417 1.00 11.05 C ATOM 176 NE2 HIS A 11 29.607 -7.632 1.324 1.00 10.99 N ATOM 0 H HIS A 11 28.515 -2.745 -2.349 1.00 10.17 H new ATOM 0 HA HIS A 11 29.411 -5.357 -2.724 1.00 9.77 H new ATOM 0 HB2 HIS A 11 29.992 -3.897 -0.790 1.00 10.00 H new ATOM 0 HB3 HIS A 11 28.351 -4.011 -0.186 1.00 10.00 H new ATOM 0 HD2 HIS A 11 28.036 -6.117 1.587 1.00 10.49 H new ATOM 0 HE1 HIS A 11 31.323 -8.462 0.357 1.00 11.05 H new ATOM 0 HE2 HIS A 11 29.417 -8.309 2.063 1.00 10.99 H new ATOM 184 N ASP A 12 26.420 -5.442 -1.296 1.00 8.78 N ATOM 185 CA ASP A 12 25.216 -6.315 -1.171 1.00 8.41 C ATOM 186 C ASP A 12 24.032 -5.495 -0.656 1.00 7.70 C ATOM 187 O ASP A 12 24.166 -4.337 -0.314 1.00 7.84 O ATOM 188 CB ASP A 12 25.508 -7.453 -0.188 1.00 8.97 C ATOM 189 CG ASP A 12 26.503 -8.433 -0.811 1.00 9.57 C ATOM 190 OD1 ASP A 12 26.302 -8.804 -1.956 1.00 10.08 O ATOM 191 OD2 ASP A 12 27.447 -8.802 -0.131 1.00 9.72 O ATOM 0 H ASP A 12 26.391 -4.582 -0.749 1.00 8.78 H new ATOM 0 HA ASP A 12 24.972 -6.729 -2.149 1.00 8.41 H new ATOM 0 HB2 ASP A 12 25.913 -7.049 0.740 1.00 8.97 H new ATOM 0 HB3 ASP A 12 24.584 -7.972 0.067 1.00 8.97 H new ATOM 196 N GLU A 13 22.872 -6.092 -0.592 1.00 7.20 N ATOM 197 CA GLU A 13 21.675 -5.358 -0.092 1.00 6.75 C ATOM 198 C GLU A 13 21.662 -5.412 1.436 1.00 5.96 C ATOM 199 O GLU A 13 20.623 -5.366 2.063 1.00 6.13 O ATOM 200 CB GLU A 13 20.406 -6.020 -0.636 1.00 7.22 C ATOM 201 CG GLU A 13 20.319 -5.789 -2.145 1.00 7.84 C ATOM 202 CD GLU A 13 19.052 -6.449 -2.692 1.00 8.59 C ATOM 203 OE1 GLU A 13 18.415 -7.173 -1.945 1.00 9.12 O ATOM 204 OE2 GLU A 13 18.739 -6.216 -3.848 1.00 8.85 O ATOM 0 H GLU A 13 22.702 -7.060 -0.866 1.00 7.20 H new ATOM 0 HA GLU A 13 21.712 -4.321 -0.425 1.00 6.75 H new ATOM 0 HB2 GLU A 13 20.419 -7.088 -0.421 1.00 7.22 H new ATOM 0 HB3 GLU A 13 19.527 -5.606 -0.142 1.00 7.22 H new ATOM 0 HG2 GLU A 13 20.306 -4.720 -2.360 1.00 7.84 H new ATOM 0 HG3 GLU A 13 21.199 -6.203 -2.638 1.00 7.84 H new ATOM 211 N ALA A 14 22.815 -5.519 2.037 1.00 5.44 N ATOM 212 CA ALA A 14 22.885 -5.589 3.523 1.00 4.96 C ATOM 213 C ALA A 14 22.066 -4.453 4.137 1.00 4.30 C ATOM 214 O ALA A 14 21.731 -4.480 5.305 1.00 4.43 O ATOM 215 CB ALA A 14 24.343 -5.470 3.972 1.00 5.39 C ATOM 0 H ALA A 14 23.716 -5.561 1.560 1.00 5.44 H new ATOM 0 HA ALA A 14 22.478 -6.544 3.856 1.00 4.96 H new ATOM 0 HB1 ALA A 14 24.394 -5.521 5.060 1.00 5.39 H new ATOM 0 HB2 ALA A 14 24.924 -6.286 3.543 1.00 5.39 H new ATOM 0 HB3 ALA A 14 24.751 -4.517 3.634 1.00 5.39 H new ATOM 221 N VAL A 15 21.740 -3.455 3.364 1.00 4.01 N ATOM 222 CA VAL A 15 20.940 -2.316 3.909 1.00 3.71 C ATOM 223 C VAL A 15 19.448 -2.614 3.725 1.00 3.13 C ATOM 224 O VAL A 15 18.924 -2.554 2.631 1.00 3.40 O ATOM 225 CB VAL A 15 21.298 -1.037 3.149 1.00 4.37 C ATOM 226 CG1 VAL A 15 20.585 0.154 3.790 1.00 5.04 C ATOM 227 CG2 VAL A 15 22.811 -0.815 3.204 1.00 4.89 C ATOM 0 H VAL A 15 21.991 -3.376 2.379 1.00 4.01 H new ATOM 0 HA VAL A 15 21.161 -2.186 4.968 1.00 3.71 H new ATOM 0 HB VAL A 15 20.983 -1.133 2.110 1.00 4.37 H new ATOM 0 HG11 VAL A 15 20.840 1.065 3.249 1.00 5.04 H new ATOM 0 HG12 VAL A 15 19.507 -0.002 3.750 1.00 5.04 H new ATOM 0 HG13 VAL A 15 20.899 0.250 4.829 1.00 5.04 H new ATOM 0 HG21 VAL A 15 23.065 0.096 2.662 1.00 4.89 H new ATOM 0 HG22 VAL A 15 23.127 -0.720 4.243 1.00 4.89 H new ATOM 0 HG23 VAL A 15 23.320 -1.663 2.746 1.00 4.89 H new ATOM 237 N ASP A 16 18.762 -2.936 4.790 1.00 2.67 N ATOM 238 CA ASP A 16 17.304 -3.242 4.682 1.00 2.25 C ATOM 239 C ASP A 16 16.494 -1.941 4.713 1.00 2.00 C ATOM 240 O ASP A 16 15.383 -1.879 4.224 1.00 2.47 O ATOM 241 CB ASP A 16 16.884 -4.132 5.854 1.00 2.31 C ATOM 242 CG ASP A 16 15.481 -4.689 5.604 1.00 2.96 C ATOM 243 OD1 ASP A 16 14.791 -4.146 4.757 1.00 3.45 O ATOM 244 OD2 ASP A 16 15.121 -5.651 6.263 1.00 3.42 O ATOM 0 H ASP A 16 19.149 -3.001 5.732 1.00 2.67 H new ATOM 0 HA ASP A 16 17.114 -3.759 3.742 1.00 2.25 H new ATOM 0 HB2 ASP A 16 17.594 -4.950 5.974 1.00 2.31 H new ATOM 0 HB3 ASP A 16 16.898 -3.559 6.781 1.00 2.31 H new ATOM 249 N ALA A 17 17.036 -0.903 5.294 1.00 1.74 N ATOM 250 CA ALA A 17 16.289 0.387 5.368 1.00 1.64 C ATOM 251 C ALA A 17 15.972 0.884 3.957 1.00 1.34 C ATOM 252 O ALA A 17 14.872 1.313 3.673 1.00 1.86 O ATOM 253 CB ALA A 17 17.147 1.429 6.089 1.00 2.03 C ATOM 0 H ALA A 17 17.963 -0.893 5.720 1.00 1.74 H new ATOM 0 HA ALA A 17 15.358 0.233 5.914 1.00 1.64 H new ATOM 0 HB1 ALA A 17 16.604 2.372 6.144 1.00 2.03 H new ATOM 0 HB2 ALA A 17 17.372 1.080 7.097 1.00 2.03 H new ATOM 0 HB3 ALA A 17 18.077 1.578 5.540 1.00 2.03 H new ATOM 259 N ASN A 18 16.925 0.835 3.070 1.00 0.95 N ATOM 260 CA ASN A 18 16.670 1.308 1.682 1.00 0.77 C ATOM 261 C ASN A 18 15.541 0.485 1.056 1.00 0.65 C ATOM 262 O ASN A 18 14.678 1.010 0.381 1.00 1.18 O ATOM 263 CB ASN A 18 17.939 1.146 0.845 1.00 0.93 C ATOM 264 CG ASN A 18 17.673 1.633 -0.579 1.00 1.47 C ATOM 265 OD1 ASN A 18 17.492 0.839 -1.482 1.00 2.24 O ATOM 266 ND2 ASN A 18 17.639 2.914 -0.821 1.00 1.85 N ATOM 0 H ASN A 18 17.868 0.488 3.246 1.00 0.95 H new ATOM 0 HA ASN A 18 16.381 2.359 1.708 1.00 0.77 H new ATOM 0 HB2 ASN A 18 18.756 1.715 1.289 1.00 0.93 H new ATOM 0 HB3 ASN A 18 18.248 0.101 0.832 1.00 0.93 H new ATOM 0 HD21 ASN A 18 17.461 3.250 -1.768 1.00 1.85 H new ATOM 0 HD22 ASN A 18 17.791 3.580 -0.064 1.00 1.85 H new ATOM 273 N SER A 19 15.545 -0.804 1.269 1.00 0.49 N ATOM 274 CA SER A 19 14.478 -1.661 0.677 1.00 0.33 C ATOM 275 C SER A 19 13.128 -1.341 1.321 1.00 0.29 C ATOM 276 O SER A 19 12.115 -1.272 0.655 1.00 0.28 O ATOM 277 CB SER A 19 14.818 -3.129 0.922 1.00 0.41 C ATOM 278 OG SER A 19 14.729 -3.404 2.314 1.00 0.80 O ATOM 0 H SER A 19 16.240 -1.300 1.827 1.00 0.49 H new ATOM 0 HA SER A 19 14.417 -1.467 -0.394 1.00 0.33 H new ATOM 0 HB2 SER A 19 14.133 -3.771 0.368 1.00 0.41 H new ATOM 0 HB3 SER A 19 15.823 -3.347 0.560 1.00 0.41 H new ATOM 0 HG SER A 19 15.155 -2.680 2.818 1.00 0.80 H new ATOM 284 N LEU A 20 13.101 -1.142 2.610 1.00 0.31 N ATOM 285 CA LEU A 20 11.809 -0.824 3.278 1.00 0.32 C ATOM 286 C LEU A 20 11.245 0.471 2.694 1.00 0.25 C ATOM 287 O LEU A 20 10.087 0.552 2.344 1.00 0.23 O ATOM 288 CB LEU A 20 12.037 -0.659 4.789 1.00 0.41 C ATOM 289 CG LEU A 20 12.217 -2.043 5.455 1.00 0.45 C ATOM 290 CD1 LEU A 20 13.060 -1.904 6.727 1.00 0.99 C ATOM 291 CD2 LEU A 20 10.846 -2.626 5.835 1.00 1.09 C ATOM 0 H LEU A 20 13.913 -1.186 3.226 1.00 0.31 H new ATOM 0 HA LEU A 20 11.100 -1.635 3.111 1.00 0.32 H new ATOM 0 HB2 LEU A 20 12.919 -0.044 4.966 1.00 0.41 H new ATOM 0 HB3 LEU A 20 11.191 -0.139 5.237 1.00 0.41 H new ATOM 0 HG LEU A 20 12.717 -2.706 4.749 1.00 0.45 H new ATOM 0 HD11 LEU A 20 13.183 -2.883 7.191 1.00 0.99 H new ATOM 0 HD12 LEU A 20 14.039 -1.498 6.472 1.00 0.99 H new ATOM 0 HD13 LEU A 20 12.559 -1.232 7.424 1.00 0.99 H new ATOM 0 HD21 LEU A 20 10.982 -3.601 6.303 1.00 1.09 H new ATOM 0 HD22 LEU A 20 10.346 -1.955 6.533 1.00 1.09 H new ATOM 0 HD23 LEU A 20 10.236 -2.736 4.938 1.00 1.09 H new ATOM 303 N ALA A 21 12.054 1.486 2.588 1.00 0.24 N ATOM 304 CA ALA A 21 11.561 2.771 2.033 1.00 0.22 C ATOM 305 C ALA A 21 11.068 2.573 0.597 1.00 0.18 C ATOM 306 O ALA A 21 9.987 2.996 0.240 1.00 0.19 O ATOM 307 CB ALA A 21 12.693 3.803 2.050 1.00 0.27 C ATOM 0 H ALA A 21 13.036 1.479 2.863 1.00 0.24 H new ATOM 0 HA ALA A 21 10.732 3.127 2.645 1.00 0.22 H new ATOM 0 HB1 ALA A 21 12.331 4.747 1.642 1.00 0.27 H new ATOM 0 HB2 ALA A 21 13.030 3.956 3.075 1.00 0.27 H new ATOM 0 HB3 ALA A 21 13.524 3.441 1.445 1.00 0.27 H new ATOM 313 N GLU A 22 11.853 1.946 -0.236 1.00 0.18 N ATOM 314 CA GLU A 22 11.425 1.745 -1.649 1.00 0.19 C ATOM 315 C GLU A 22 10.163 0.882 -1.699 1.00 0.18 C ATOM 316 O GLU A 22 9.255 1.141 -2.463 1.00 0.21 O ATOM 317 CB GLU A 22 12.548 1.057 -2.425 1.00 0.24 C ATOM 318 CG GLU A 22 12.218 1.058 -3.918 1.00 0.50 C ATOM 319 CD GLU A 22 13.363 0.401 -4.690 1.00 0.68 C ATOM 320 OE1 GLU A 22 14.396 0.161 -4.087 1.00 1.15 O ATOM 321 OE2 GLU A 22 13.189 0.151 -5.871 1.00 1.27 O ATOM 0 H GLU A 22 12.769 1.565 -0.000 1.00 0.18 H new ATOM 0 HA GLU A 22 11.208 2.714 -2.099 1.00 0.19 H new ATOM 0 HB2 GLU A 22 13.492 1.573 -2.251 1.00 0.24 H new ATOM 0 HB3 GLU A 22 12.674 0.034 -2.071 1.00 0.24 H new ATOM 0 HG2 GLU A 22 11.288 0.519 -4.097 1.00 0.50 H new ATOM 0 HG3 GLU A 22 12.067 2.079 -4.268 1.00 0.50 H new ATOM 328 N ALA A 23 10.094 -0.141 -0.892 1.00 0.18 N ATOM 329 CA ALA A 23 8.884 -1.008 -0.904 1.00 0.19 C ATOM 330 C ALA A 23 7.661 -0.165 -0.553 1.00 0.15 C ATOM 331 O ALA A 23 6.616 -0.283 -1.162 1.00 0.16 O ATOM 332 CB ALA A 23 9.044 -2.129 0.125 1.00 0.23 C ATOM 0 H ALA A 23 10.820 -0.412 -0.228 1.00 0.18 H new ATOM 0 HA ALA A 23 8.758 -1.445 -1.894 1.00 0.19 H new ATOM 0 HB1 ALA A 23 8.157 -2.762 0.114 1.00 0.23 H new ATOM 0 HB2 ALA A 23 9.920 -2.728 -0.123 1.00 0.23 H new ATOM 0 HB3 ALA A 23 9.169 -1.697 1.118 1.00 0.23 H new ATOM 338 N LYS A 24 7.782 0.690 0.425 1.00 0.15 N ATOM 339 CA LYS A 24 6.626 1.542 0.811 1.00 0.18 C ATOM 340 C LYS A 24 6.368 2.569 -0.294 1.00 0.19 C ATOM 341 O LYS A 24 5.239 2.862 -0.632 1.00 0.26 O ATOM 342 CB LYS A 24 6.954 2.268 2.116 1.00 0.22 C ATOM 343 CG LYS A 24 7.076 1.252 3.256 1.00 0.21 C ATOM 344 CD LYS A 24 7.404 1.994 4.554 1.00 0.27 C ATOM 345 CE LYS A 24 7.710 0.987 5.665 1.00 0.53 C ATOM 346 NZ LYS A 24 7.884 1.714 6.955 1.00 1.23 N ATOM 0 H LYS A 24 8.631 0.834 0.972 1.00 0.15 H new ATOM 0 HA LYS A 24 5.738 0.924 0.949 1.00 0.18 H new ATOM 0 HB2 LYS A 24 7.886 2.824 2.010 1.00 0.22 H new ATOM 0 HB3 LYS A 24 6.174 2.994 2.345 1.00 0.22 H new ATOM 0 HG2 LYS A 24 6.145 0.696 3.366 1.00 0.21 H new ATOM 0 HG3 LYS A 24 7.857 0.525 3.030 1.00 0.21 H new ATOM 0 HD2 LYS A 24 8.260 2.652 4.401 1.00 0.27 H new ATOM 0 HD3 LYS A 24 6.564 2.626 4.844 1.00 0.27 H new ATOM 0 HE2 LYS A 24 6.899 0.263 5.749 1.00 0.53 H new ATOM 0 HE3 LYS A 24 8.614 0.427 5.425 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 7.407 1.190 7.716 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 8.898 1.796 7.173 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 7.469 2.664 6.877 1.00 1.23 H new ATOM 360 N VAL A 25 7.411 3.118 -0.860 1.00 0.19 N ATOM 361 CA VAL A 25 7.227 4.125 -1.943 1.00 0.23 C ATOM 362 C VAL A 25 6.586 3.454 -3.162 1.00 0.24 C ATOM 363 O VAL A 25 5.663 3.975 -3.755 1.00 0.27 O ATOM 364 CB VAL A 25 8.589 4.717 -2.325 1.00 0.27 C ATOM 365 CG1 VAL A 25 8.459 5.564 -3.595 1.00 0.34 C ATOM 366 CG2 VAL A 25 9.096 5.597 -1.180 1.00 0.29 C ATOM 0 H VAL A 25 8.380 2.912 -0.619 1.00 0.19 H new ATOM 0 HA VAL A 25 6.575 4.925 -1.593 1.00 0.23 H new ATOM 0 HB VAL A 25 9.292 3.905 -2.509 1.00 0.27 H new ATOM 0 HG11 VAL A 25 9.432 5.979 -3.857 1.00 0.34 H new ATOM 0 HG12 VAL A 25 8.099 4.940 -4.413 1.00 0.34 H new ATOM 0 HG13 VAL A 25 7.753 6.376 -3.420 1.00 0.34 H new ATOM 0 HG21 VAL A 25 10.064 6.020 -1.447 1.00 0.29 H new ATOM 0 HG22 VAL A 25 8.385 6.403 -0.999 1.00 0.29 H new ATOM 0 HG23 VAL A 25 9.200 4.995 -0.277 1.00 0.29 H new ATOM 376 N LEU A 26 7.071 2.303 -3.543 1.00 0.22 N ATOM 377 CA LEU A 26 6.491 1.605 -4.727 1.00 0.25 C ATOM 378 C LEU A 26 5.041 1.206 -4.440 1.00 0.23 C ATOM 379 O LEU A 26 4.182 1.307 -5.294 1.00 0.28 O ATOM 380 CB LEU A 26 7.311 0.346 -5.031 1.00 0.26 C ATOM 381 CG LEU A 26 8.696 0.729 -5.570 1.00 0.31 C ATOM 382 CD1 LEU A 26 9.531 -0.545 -5.747 1.00 0.73 C ATOM 383 CD2 LEU A 26 8.565 1.464 -6.923 1.00 0.78 C ATOM 0 H LEU A 26 7.843 1.816 -3.087 1.00 0.22 H new ATOM 0 HA LEU A 26 6.517 2.278 -5.584 1.00 0.25 H new ATOM 0 HB2 LEU A 26 7.418 -0.253 -4.127 1.00 0.26 H new ATOM 0 HB3 LEU A 26 6.787 -0.270 -5.762 1.00 0.26 H new ATOM 0 HG LEU A 26 9.186 1.398 -4.862 1.00 0.31 H new ATOM 0 HD11 LEU A 26 10.517 -0.283 -6.130 1.00 0.73 H new ATOM 0 HD12 LEU A 26 9.637 -1.047 -4.785 1.00 0.73 H new ATOM 0 HD13 LEU A 26 9.033 -1.211 -6.452 1.00 0.73 H new ATOM 0 HD21 LEU A 26 9.556 1.728 -7.291 1.00 0.78 H new ATOM 0 HD22 LEU A 26 8.072 0.813 -7.645 1.00 0.78 H new ATOM 0 HD23 LEU A 26 7.974 2.370 -6.789 1.00 0.78 H new ATOM 395 N ALA A 27 4.759 0.754 -3.250 1.00 0.18 N ATOM 396 CA ALA A 27 3.362 0.351 -2.921 1.00 0.18 C ATOM 397 C ALA A 27 2.465 1.590 -2.907 1.00 0.16 C ATOM 398 O ALA A 27 1.338 1.561 -3.360 1.00 0.19 O ATOM 399 CB ALA A 27 3.330 -0.323 -1.548 1.00 0.20 C ATOM 0 H ALA A 27 5.433 0.646 -2.492 1.00 0.18 H new ATOM 0 HA ALA A 27 3.000 -0.350 -3.673 1.00 0.18 H new ATOM 0 HB1 ALA A 27 2.307 -0.616 -1.310 1.00 0.20 H new ATOM 0 HB2 ALA A 27 3.967 -1.207 -1.562 1.00 0.20 H new ATOM 0 HB3 ALA A 27 3.692 0.374 -0.792 1.00 0.20 H new ATOM 405 N ASN A 28 2.959 2.679 -2.387 1.00 0.15 N ATOM 406 CA ASN A 28 2.142 3.924 -2.337 1.00 0.14 C ATOM 407 C ASN A 28 1.757 4.339 -3.759 1.00 0.15 C ATOM 408 O ASN A 28 0.662 4.801 -4.008 1.00 0.18 O ATOM 409 CB ASN A 28 2.955 5.041 -1.683 1.00 0.15 C ATOM 410 CG ASN A 28 2.062 6.265 -1.479 1.00 0.17 C ATOM 411 OD1 ASN A 28 1.235 6.574 -2.314 1.00 0.22 O ATOM 412 ND2 ASN A 28 2.190 6.975 -0.392 1.00 0.22 N ATOM 0 H ASN A 28 3.896 2.761 -1.993 1.00 0.15 H new ATOM 0 HA ASN A 28 1.239 3.743 -1.754 1.00 0.14 H new ATOM 0 HB2 ASN A 28 3.353 4.704 -0.726 1.00 0.15 H new ATOM 0 HB3 ASN A 28 3.808 5.300 -2.310 1.00 0.15 H new ATOM 0 HD21 ASN A 28 1.596 7.790 -0.242 1.00 0.22 H new ATOM 0 HD22 ASN A 28 2.884 6.715 0.308 1.00 0.22 H new ATOM 419 N ARG A 29 2.657 4.186 -4.691 1.00 0.18 N ATOM 420 CA ARG A 29 2.359 4.579 -6.099 1.00 0.22 C ATOM 421 C ARG A 29 1.162 3.779 -6.621 1.00 0.19 C ATOM 422 O ARG A 29 0.319 4.300 -7.324 1.00 0.21 O ATOM 423 CB ARG A 29 3.581 4.291 -6.977 1.00 0.31 C ATOM 424 CG ARG A 29 4.727 5.264 -6.644 1.00 1.18 C ATOM 425 CD ARG A 29 4.494 6.641 -7.290 1.00 1.46 C ATOM 426 NE ARG A 29 4.085 6.488 -8.727 1.00 2.22 N ATOM 427 CZ ARG A 29 4.818 5.826 -9.583 1.00 2.79 C ATOM 428 NH1 ARG A 29 6.020 5.434 -9.265 1.00 2.95 N ATOM 429 NH2 ARG A 29 4.363 5.603 -10.786 1.00 3.73 N ATOM 0 H ARG A 29 3.590 3.804 -4.538 1.00 0.18 H new ATOM 0 HA ARG A 29 2.123 5.643 -6.132 1.00 0.22 H new ATOM 0 HB2 ARG A 29 3.912 3.264 -6.824 1.00 0.31 H new ATOM 0 HB3 ARG A 29 3.311 4.385 -8.029 1.00 0.31 H new ATOM 0 HG2 ARG A 29 4.810 5.376 -5.563 1.00 1.18 H new ATOM 0 HG3 ARG A 29 5.672 4.850 -6.995 1.00 1.18 H new ATOM 0 HD2 ARG A 29 3.721 7.180 -6.742 1.00 1.46 H new ATOM 0 HD3 ARG A 29 5.404 7.237 -7.227 1.00 1.46 H new ATOM 0 HE ARG A 29 3.213 6.912 -9.043 1.00 2.22 H new ATOM 0 HH11 ARG A 29 6.397 5.643 -8.341 1.00 2.95 H new ATOM 0 HH12 ARG A 29 6.584 4.918 -9.941 1.00 2.95 H new ATOM 0 HH21 ARG A 29 3.440 5.945 -11.054 1.00 3.73 H new ATOM 0 HH22 ARG A 29 4.930 5.087 -11.458 1.00 3.73 H new ATOM 443 N GLU A 30 1.078 2.519 -6.294 1.00 0.21 N ATOM 444 CA GLU A 30 -0.069 1.702 -6.787 1.00 0.28 C ATOM 445 C GLU A 30 -1.380 2.305 -6.285 1.00 0.27 C ATOM 446 O GLU A 30 -2.361 2.363 -6.999 1.00 0.33 O ATOM 447 CB GLU A 30 0.065 0.269 -6.262 1.00 0.37 C ATOM 448 CG GLU A 30 1.129 -0.472 -7.068 1.00 0.60 C ATOM 449 CD GLU A 30 1.285 -1.893 -6.523 1.00 0.64 C ATOM 450 OE1 GLU A 30 0.732 -2.167 -5.471 1.00 1.33 O ATOM 451 OE2 GLU A 30 1.958 -2.682 -7.165 1.00 1.39 O ATOM 0 H GLU A 30 1.750 2.021 -5.710 1.00 0.21 H new ATOM 0 HA GLU A 30 -0.067 1.695 -7.877 1.00 0.28 H new ATOM 0 HB2 GLU A 30 0.336 0.281 -5.206 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -0.891 -0.249 -6.339 1.00 0.37 H new ATOM 0 HG2 GLU A 30 0.847 -0.504 -8.120 1.00 0.60 H new ATOM 0 HG3 GLU A 30 2.080 0.058 -7.009 1.00 0.60 H new ATOM 458 N LEU A 31 -1.402 2.756 -5.067 1.00 0.23 N ATOM 459 CA LEU A 31 -2.648 3.359 -4.520 1.00 0.28 C ATOM 460 C LEU A 31 -2.923 4.661 -5.262 1.00 0.32 C ATOM 461 O LEU A 31 -4.042 4.974 -5.618 1.00 0.43 O ATOM 462 CB LEU A 31 -2.437 3.668 -3.039 1.00 0.26 C ATOM 463 CG LEU A 31 -1.845 2.438 -2.358 1.00 0.25 C ATOM 464 CD1 LEU A 31 -1.684 2.703 -0.857 1.00 0.27 C ATOM 465 CD2 LEU A 31 -2.767 1.229 -2.584 1.00 0.33 C ATOM 0 H LEU A 31 -0.611 2.734 -4.423 1.00 0.23 H new ATOM 0 HA LEU A 31 -3.486 2.672 -4.641 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -1.769 4.521 -2.923 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -3.384 3.939 -2.572 1.00 0.26 H new ATOM 0 HG LEU A 31 -0.866 2.224 -2.786 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -1.261 1.822 -0.375 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -1.019 3.553 -0.707 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -2.658 2.923 -0.420 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -2.342 0.351 -2.097 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -3.750 1.438 -2.163 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -2.863 1.040 -3.653 1.00 0.33 H new ATOM 477 N ASP A 32 -1.893 5.420 -5.484 1.00 0.28 N ATOM 478 CA ASP A 32 -2.040 6.715 -6.191 1.00 0.35 C ATOM 479 C ASP A 32 -2.611 6.490 -7.596 1.00 0.42 C ATOM 480 O ASP A 32 -3.474 7.219 -8.044 1.00 0.54 O ATOM 481 CB ASP A 32 -0.661 7.365 -6.279 1.00 0.38 C ATOM 482 CG ASP A 32 -0.760 8.715 -6.998 1.00 0.54 C ATOM 483 OD1 ASP A 32 -1.769 8.953 -7.641 1.00 1.14 O ATOM 484 OD2 ASP A 32 0.175 9.490 -6.888 1.00 1.12 O ATOM 0 H ASP A 32 -0.940 5.194 -5.201 1.00 0.28 H new ATOM 0 HA ASP A 32 -2.727 7.364 -5.648 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -0.252 7.506 -5.278 1.00 0.38 H new ATOM 0 HB3 ASP A 32 0.025 6.709 -6.814 1.00 0.38 H new ATOM 489 N LYS A 33 -2.135 5.498 -8.304 1.00 0.38 N ATOM 490 CA LYS A 33 -2.659 5.257 -9.680 1.00 0.46 C ATOM 491 C LYS A 33 -4.125 4.827 -9.599 1.00 0.42 C ATOM 492 O LYS A 33 -4.947 5.239 -10.394 1.00 0.46 O ATOM 493 CB LYS A 33 -1.842 4.153 -10.359 1.00 0.58 C ATOM 494 CG LYS A 33 -0.435 4.675 -10.665 1.00 0.74 C ATOM 495 CD LYS A 33 0.331 3.651 -11.512 1.00 1.34 C ATOM 496 CE LYS A 33 0.648 2.404 -10.678 1.00 1.16 C ATOM 497 NZ LYS A 33 1.741 1.632 -11.335 1.00 1.78 N ATOM 0 H LYS A 33 -1.412 4.850 -7.991 1.00 0.38 H new ATOM 0 HA LYS A 33 -2.578 6.175 -10.262 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -1.784 3.278 -9.712 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -2.332 3.837 -11.280 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -0.498 5.625 -11.196 1.00 0.74 H new ATOM 0 HG3 LYS A 33 0.102 4.865 -9.735 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -0.262 3.373 -12.384 1.00 1.34 H new ATOM 0 HD3 LYS A 33 1.255 4.094 -11.883 1.00 1.34 H new ATOM 0 HE2 LYS A 33 0.947 2.693 -9.671 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -0.242 1.783 -10.580 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 1.957 0.786 -10.770 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 1.439 1.344 -12.288 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 2.591 2.226 -11.407 1.00 1.78 H new ATOM 511 N TYR A 34 -4.462 4.010 -8.639 1.00 0.36 N ATOM 512 CA TYR A 34 -5.876 3.564 -8.503 1.00 0.37 C ATOM 513 C TYR A 34 -6.729 4.747 -8.038 1.00 0.33 C ATOM 514 O TYR A 34 -7.851 4.924 -8.469 1.00 0.55 O ATOM 515 CB TYR A 34 -5.970 2.426 -7.479 1.00 0.40 C ATOM 516 CG TYR A 34 -4.886 1.377 -7.700 1.00 0.59 C ATOM 517 CD1 TYR A 34 -4.320 1.147 -8.972 1.00 1.10 C ATOM 518 CD2 TYR A 34 -4.452 0.615 -6.607 1.00 1.03 C ATOM 519 CE1 TYR A 34 -3.335 0.165 -9.132 1.00 1.25 C ATOM 520 CE2 TYR A 34 -3.469 -0.366 -6.774 1.00 1.16 C ATOM 521 CZ TYR A 34 -2.911 -0.591 -8.035 1.00 0.99 C ATOM 522 OH TYR A 34 -1.944 -1.561 -8.196 1.00 1.20 O ATOM 0 H TYR A 34 -3.819 3.632 -7.943 1.00 0.36 H new ATOM 0 HA TYR A 34 -6.238 3.203 -9.465 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -5.881 2.834 -6.472 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -6.951 1.956 -7.547 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -4.646 1.728 -9.822 1.00 1.10 H new ATOM 0 HD2 TYR A 34 -4.879 0.786 -5.630 1.00 1.03 H new ATOM 0 HE1 TYR A 34 -2.901 -0.009 -10.106 1.00 1.25 H new ATOM 0 HE2 TYR A 34 -3.141 -0.950 -5.927 1.00 1.16 H new ATOM 0 HH TYR A 34 -1.765 -1.991 -7.334 1.00 1.20 H new ATOM 532 N GLY A 35 -6.204 5.562 -7.160 1.00 0.24 N ATOM 533 CA GLY A 35 -6.979 6.741 -6.665 1.00 0.31 C ATOM 534 C GLY A 35 -7.702 6.381 -5.365 1.00 0.31 C ATOM 535 O GLY A 35 -8.785 6.861 -5.094 1.00 0.36 O ATOM 0 H GLY A 35 -5.270 5.462 -6.763 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -6.308 7.583 -6.497 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -7.702 7.054 -7.418 1.00 0.31 H new ATOM 539 N VAL A 36 -7.111 5.546 -4.556 1.00 0.33 N ATOM 540 CA VAL A 36 -7.767 5.164 -3.271 1.00 0.38 C ATOM 541 C VAL A 36 -7.646 6.340 -2.289 1.00 0.42 C ATOM 542 O VAL A 36 -7.078 7.366 -2.607 1.00 0.45 O ATOM 543 CB VAL A 36 -7.076 3.908 -2.692 1.00 0.41 C ATOM 544 CG1 VAL A 36 -8.070 3.080 -1.864 1.00 0.71 C ATOM 545 CG2 VAL A 36 -6.542 3.046 -3.840 1.00 0.66 C ATOM 0 H VAL A 36 -6.204 5.112 -4.727 1.00 0.33 H new ATOM 0 HA VAL A 36 -8.820 4.936 -3.437 1.00 0.38 H new ATOM 0 HB VAL A 36 -6.256 4.226 -2.048 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -7.566 2.200 -1.464 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -8.451 3.685 -1.041 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -8.899 2.767 -2.498 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -6.054 2.160 -3.433 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -7.369 2.743 -4.482 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -5.822 3.621 -4.422 1.00 0.66 H new ATOM 555 N SER A 37 -8.180 6.205 -1.105 1.00 0.55 N ATOM 556 CA SER A 37 -8.099 7.319 -0.115 1.00 0.64 C ATOM 557 C SER A 37 -6.656 7.480 0.373 1.00 0.50 C ATOM 558 O SER A 37 -5.894 6.535 0.417 1.00 0.93 O ATOM 559 CB SER A 37 -9.004 7.010 1.077 1.00 0.96 C ATOM 560 OG SER A 37 -8.923 8.074 2.016 1.00 1.56 O ATOM 0 H SER A 37 -8.669 5.371 -0.780 1.00 0.55 H new ATOM 0 HA SER A 37 -8.423 8.244 -0.592 1.00 0.64 H new ATOM 0 HB2 SER A 37 -10.034 6.882 0.743 1.00 0.96 H new ATOM 0 HB3 SER A 37 -8.702 6.073 1.545 1.00 0.96 H new ATOM 0 HG SER A 37 -9.504 7.880 2.781 1.00 1.56 H new ATOM 566 N ASP A 38 -6.280 8.677 0.735 1.00 0.43 N ATOM 567 CA ASP A 38 -4.890 8.920 1.219 1.00 0.37 C ATOM 568 C ASP A 38 -4.657 8.156 2.525 1.00 0.54 C ATOM 569 O ASP A 38 -3.535 7.945 2.938 1.00 1.41 O ATOM 570 CB ASP A 38 -4.690 10.417 1.464 1.00 0.53 C ATOM 571 CG ASP A 38 -3.202 10.707 1.670 1.00 1.52 C ATOM 572 OD1 ASP A 38 -2.453 9.762 1.854 1.00 2.16 O ATOM 573 OD2 ASP A 38 -2.835 11.871 1.637 1.00 2.35 O ATOM 0 H ASP A 38 -6.880 9.502 0.716 1.00 0.43 H new ATOM 0 HA ASP A 38 -4.181 8.574 0.467 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -5.069 10.989 0.617 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -5.257 10.732 2.340 1.00 0.53 H new ATOM 578 N TYR A 39 -5.707 7.748 3.182 1.00 0.42 N ATOM 579 CA TYR A 39 -5.540 7.009 4.466 1.00 0.33 C ATOM 580 C TYR A 39 -4.737 5.726 4.227 1.00 0.25 C ATOM 581 O TYR A 39 -3.828 5.410 4.969 1.00 0.26 O ATOM 582 CB TYR A 39 -6.917 6.643 5.029 1.00 0.44 C ATOM 583 CG TYR A 39 -6.739 5.758 6.240 1.00 0.57 C ATOM 584 CD1 TYR A 39 -6.688 4.370 6.078 1.00 1.35 C ATOM 585 CD2 TYR A 39 -6.615 6.320 7.515 1.00 1.19 C ATOM 586 CE1 TYR A 39 -6.512 3.541 7.188 1.00 1.51 C ATOM 587 CE2 TYR A 39 -6.440 5.490 8.630 1.00 1.30 C ATOM 588 CZ TYR A 39 -6.388 4.100 8.466 1.00 1.02 C ATOM 589 OH TYR A 39 -6.212 3.282 9.563 1.00 1.27 O ATOM 0 H TYR A 39 -6.672 7.894 2.886 1.00 0.42 H new ATOM 0 HA TYR A 39 -5.008 7.643 5.176 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -7.464 7.546 5.301 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -7.508 6.128 4.271 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -6.785 3.938 5.093 1.00 1.35 H new ATOM 0 HD2 TYR A 39 -6.654 7.392 7.640 1.00 1.19 H new ATOM 0 HE1 TYR A 39 -6.472 2.469 7.061 1.00 1.51 H new ATOM 0 HE2 TYR A 39 -6.345 5.922 9.615 1.00 1.30 H new ATOM 0 HH TYR A 39 -6.143 3.830 10.372 1.00 1.27 H new ATOM 599 N TYR A 40 -5.067 4.976 3.214 1.00 0.25 N ATOM 600 CA TYR A 40 -4.319 3.714 2.961 1.00 0.23 C ATOM 601 C TYR A 40 -2.841 4.027 2.726 1.00 0.19 C ATOM 602 O TYR A 40 -1.976 3.325 3.203 1.00 0.19 O ATOM 603 CB TYR A 40 -4.883 3.015 1.722 1.00 0.29 C ATOM 604 CG TYR A 40 -6.280 2.522 2.006 1.00 0.29 C ATOM 605 CD1 TYR A 40 -6.473 1.276 2.615 1.00 0.66 C ATOM 606 CD2 TYR A 40 -7.383 3.310 1.660 1.00 0.80 C ATOM 607 CE1 TYR A 40 -7.769 0.818 2.877 1.00 0.76 C ATOM 608 CE2 TYR A 40 -8.680 2.852 1.921 1.00 0.94 C ATOM 609 CZ TYR A 40 -8.873 1.606 2.529 1.00 0.70 C ATOM 610 OH TYR A 40 -10.151 1.155 2.786 1.00 0.93 O ATOM 0 H TYR A 40 -5.817 5.180 2.554 1.00 0.25 H new ATOM 0 HA TYR A 40 -4.424 3.063 3.829 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -4.895 3.705 0.878 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -4.242 2.179 1.441 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -5.621 0.668 2.883 1.00 0.66 H new ATOM 0 HD2 TYR A 40 -7.234 4.272 1.192 1.00 0.80 H new ATOM 0 HE1 TYR A 40 -7.918 -0.143 3.347 1.00 0.76 H new ATOM 0 HE2 TYR A 40 -9.532 3.460 1.653 1.00 0.94 H new ATOM 0 HH TYR A 40 -10.801 1.823 2.483 1.00 0.93 H new ATOM 620 N LYS A 41 -2.539 5.078 2.010 1.00 0.18 N ATOM 621 CA LYS A 41 -1.112 5.421 1.766 1.00 0.17 C ATOM 622 C LYS A 41 -0.477 5.715 3.108 1.00 0.16 C ATOM 623 O LYS A 41 0.614 5.278 3.415 1.00 0.17 O ATOM 624 CB LYS A 41 -1.037 6.677 0.905 1.00 0.22 C ATOM 625 CG LYS A 41 -1.740 6.413 -0.423 1.00 0.79 C ATOM 626 CD LYS A 41 -1.779 7.700 -1.264 1.00 1.17 C ATOM 627 CE LYS A 41 -2.975 7.645 -2.212 1.00 1.68 C ATOM 628 NZ LYS A 41 -3.004 8.870 -3.058 1.00 2.14 N ATOM 0 H LYS A 41 -3.218 5.710 1.586 1.00 0.18 H new ATOM 0 HA LYS A 41 -0.602 4.601 1.260 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -1.507 7.515 1.420 1.00 0.22 H new ATOM 0 HB3 LYS A 41 0.003 6.953 0.732 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -1.218 5.627 -0.970 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -2.754 6.056 -0.242 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -1.855 8.571 -0.614 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -0.854 7.806 -1.832 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -2.911 6.758 -2.842 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -3.900 7.564 -1.641 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -3.820 8.828 -3.702 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -3.085 9.710 -2.450 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -2.127 8.929 -3.614 1.00 2.14 H new ATOM 642 N ASN A 42 -1.176 6.454 3.914 1.00 0.19 N ATOM 643 CA ASN A 42 -0.646 6.785 5.257 1.00 0.21 C ATOM 644 C ASN A 42 -0.429 5.484 6.026 1.00 0.18 C ATOM 645 O ASN A 42 0.549 5.317 6.728 1.00 0.19 O ATOM 646 CB ASN A 42 -1.643 7.674 6.003 1.00 0.25 C ATOM 647 CG ASN A 42 -1.676 9.059 5.354 1.00 0.32 C ATOM 648 OD1 ASN A 42 -0.849 9.331 4.380 1.00 1.12 O flip ATOM 649 ND2 ASN A 42 -2.464 9.902 5.733 1.00 1.16 N flip ATOM 0 H ASN A 42 -2.094 6.844 3.700 1.00 0.19 H new ATOM 0 HA ASN A 42 0.298 7.323 5.165 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -2.636 7.225 5.978 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -1.357 7.759 7.052 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -3.110 9.691 6.493 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -2.480 10.821 5.291 1.00 1.16 H new ATOM 656 N LEU A 43 -1.335 4.554 5.888 1.00 0.16 N ATOM 657 CA LEU A 43 -1.186 3.256 6.597 1.00 0.16 C ATOM 658 C LEU A 43 0.112 2.586 6.142 1.00 0.14 C ATOM 659 O LEU A 43 0.829 2.005 6.933 1.00 0.17 O ATOM 660 CB LEU A 43 -2.389 2.354 6.293 1.00 0.17 C ATOM 661 CG LEU A 43 -2.244 1.007 7.023 1.00 0.20 C ATOM 662 CD1 LEU A 43 -2.152 1.229 8.544 1.00 0.63 C ATOM 663 CD2 LEU A 43 -3.469 0.137 6.710 1.00 0.63 C ATOM 0 H LEU A 43 -2.173 4.640 5.313 1.00 0.16 H new ATOM 0 HA LEU A 43 -1.146 3.425 7.673 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -3.310 2.847 6.605 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -2.465 2.187 5.219 1.00 0.17 H new ATOM 0 HG LEU A 43 -1.334 0.512 6.685 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -2.050 0.267 9.047 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -1.285 1.850 8.769 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -3.056 1.727 8.894 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -3.376 -0.820 7.223 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -4.372 0.644 7.050 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -3.530 -0.032 5.635 1.00 0.63 H new ATOM 675 N ILE A 44 0.430 2.664 4.874 1.00 0.13 N ATOM 676 CA ILE A 44 1.691 2.029 4.392 1.00 0.13 C ATOM 677 C ILE A 44 2.862 2.669 5.136 1.00 0.14 C ATOM 678 O ILE A 44 3.804 2.007 5.523 1.00 0.15 O ATOM 679 CB ILE A 44 1.883 2.282 2.888 1.00 0.16 C ATOM 680 CG1 ILE A 44 0.720 1.702 2.067 1.00 0.33 C ATOM 681 CG2 ILE A 44 3.189 1.630 2.433 1.00 0.14 C ATOM 682 CD1 ILE A 44 0.464 0.240 2.442 1.00 0.38 C ATOM 0 H ILE A 44 -0.124 3.135 4.159 1.00 0.13 H new ATOM 0 HA ILE A 44 1.642 0.955 4.571 1.00 0.13 H new ATOM 0 HB ILE A 44 1.913 3.359 2.725 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.182 2.290 2.240 1.00 0.33 H new ATOM 0 HG13 ILE A 44 0.948 1.775 1.004 1.00 0.33 H new ATOM 0 HG21 ILE A 44 3.331 1.806 1.367 1.00 0.14 H new ATOM 0 HG22 ILE A 44 4.023 2.061 2.986 1.00 0.14 H new ATOM 0 HG23 ILE A 44 3.145 0.557 2.621 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -0.363 -0.148 1.848 1.00 0.38 H new ATOM 0 HD12 ILE A 44 1.360 -0.348 2.245 1.00 0.38 H new ATOM 0 HD13 ILE A 44 0.213 0.175 3.501 1.00 0.38 H new ATOM 694 N ASN A 45 2.810 3.956 5.338 1.00 0.15 N ATOM 695 CA ASN A 45 3.917 4.645 6.055 1.00 0.19 C ATOM 696 C ASN A 45 4.148 3.973 7.411 1.00 0.20 C ATOM 697 O ASN A 45 5.251 3.949 7.921 1.00 0.28 O ATOM 698 CB ASN A 45 3.543 6.114 6.273 1.00 0.22 C ATOM 699 CG ASN A 45 4.767 6.884 6.774 1.00 0.65 C ATOM 700 OD1 ASN A 45 5.882 6.414 6.662 1.00 1.46 O ATOM 701 ND2 ASN A 45 4.606 8.056 7.325 1.00 0.94 N ATOM 0 H ASN A 45 2.046 4.561 5.036 1.00 0.15 H new ATOM 0 HA ASN A 45 4.828 4.583 5.460 1.00 0.19 H new ATOM 0 HB2 ASN A 45 3.182 6.550 5.342 1.00 0.22 H new ATOM 0 HB3 ASN A 45 2.731 6.190 6.996 1.00 0.22 H new ATOM 0 HD21 ASN A 45 5.416 8.577 7.661 1.00 0.94 H new ATOM 0 HD22 ASN A 45 3.670 8.451 7.419 1.00 0.94 H new ATOM 708 N ASN A 46 3.115 3.435 8.009 1.00 0.17 N ATOM 709 CA ASN A 46 3.276 2.775 9.342 1.00 0.22 C ATOM 710 C ASN A 46 3.554 1.277 9.171 1.00 0.24 C ATOM 711 O ASN A 46 3.673 0.553 10.140 1.00 0.27 O ATOM 712 CB ASN A 46 1.999 2.960 10.164 1.00 0.24 C ATOM 713 CG ASN A 46 2.249 2.478 11.594 1.00 0.41 C ATOM 714 OD1 ASN A 46 3.263 2.795 12.185 1.00 1.10 O ATOM 715 ND2 ASN A 46 1.364 1.719 12.180 1.00 1.22 N ATOM 0 H ASN A 46 2.167 3.424 7.632 1.00 0.17 H new ATOM 0 HA ASN A 46 4.119 3.235 9.857 1.00 0.22 H new ATOM 0 HB2 ASN A 46 1.703 4.009 10.167 1.00 0.24 H new ATOM 0 HB3 ASN A 46 1.179 2.399 9.716 1.00 0.24 H new ATOM 0 HD21 ASN A 46 1.523 1.392 13.133 1.00 1.22 H new ATOM 0 HD22 ASN A 46 0.513 1.452 11.685 1.00 1.22 H new ATOM 722 N ALA A 47 3.657 0.797 7.961 1.00 0.24 N ATOM 723 CA ALA A 47 3.925 -0.660 7.772 1.00 0.30 C ATOM 724 C ALA A 47 5.220 -1.028 8.504 1.00 0.51 C ATOM 725 O ALA A 47 6.281 -0.513 8.212 1.00 1.49 O ATOM 726 CB ALA A 47 4.063 -0.970 6.278 1.00 0.21 C ATOM 0 H ALA A 47 3.569 1.342 7.104 1.00 0.24 H new ATOM 0 HA ALA A 47 3.098 -1.243 8.178 1.00 0.30 H new ATOM 0 HB1 ALA A 47 4.259 -2.034 6.144 1.00 0.21 H new ATOM 0 HB2 ALA A 47 3.140 -0.703 5.764 1.00 0.21 H new ATOM 0 HB3 ALA A 47 4.889 -0.394 5.862 1.00 0.21 H new ATOM 732 N LYS A 48 5.133 -1.907 9.465 1.00 0.60 N ATOM 733 CA LYS A 48 6.344 -2.304 10.238 1.00 0.53 C ATOM 734 C LYS A 48 7.311 -3.117 9.368 1.00 0.42 C ATOM 735 O LYS A 48 8.512 -2.964 9.470 1.00 0.51 O ATOM 736 CB LYS A 48 5.926 -3.136 11.453 1.00 0.68 C ATOM 737 CG LYS A 48 7.135 -3.330 12.375 1.00 1.13 C ATOM 738 CD LYS A 48 6.733 -4.150 13.610 1.00 1.72 C ATOM 739 CE LYS A 48 5.882 -3.301 14.565 1.00 2.29 C ATOM 740 NZ LYS A 48 5.876 -3.931 15.915 1.00 2.97 N ATOM 0 H LYS A 48 4.270 -2.370 9.749 1.00 0.60 H new ATOM 0 HA LYS A 48 6.855 -1.398 10.566 1.00 0.53 H new ATOM 0 HB2 LYS A 48 5.121 -2.636 11.991 1.00 0.68 H new ATOM 0 HB3 LYS A 48 5.541 -4.104 11.131 1.00 0.68 H new ATOM 0 HG2 LYS A 48 7.935 -3.838 11.836 1.00 1.13 H new ATOM 0 HG3 LYS A 48 7.525 -2.360 12.684 1.00 1.13 H new ATOM 0 HD2 LYS A 48 6.173 -5.033 13.301 1.00 1.72 H new ATOM 0 HD3 LYS A 48 7.626 -4.503 14.126 1.00 1.72 H new ATOM 0 HE2 LYS A 48 6.283 -2.289 14.625 1.00 2.29 H new ATOM 0 HE3 LYS A 48 4.863 -3.218 14.186 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 5.300 -3.357 16.563 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 5.474 -4.888 15.850 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 6.850 -3.988 16.276 1.00 2.97 H new ATOM 754 N THR A 49 6.809 -4.000 8.534 1.00 0.35 N ATOM 755 CA THR A 49 7.721 -4.841 7.687 1.00 0.42 C ATOM 756 C THR A 49 7.170 -4.983 6.262 1.00 0.62 C ATOM 757 O THR A 49 6.008 -4.743 5.999 1.00 1.59 O ATOM 758 CB THR A 49 7.849 -6.229 8.320 1.00 0.45 C ATOM 759 OG1 THR A 49 8.806 -6.991 7.598 1.00 0.57 O ATOM 760 CG2 THR A 49 6.494 -6.937 8.284 1.00 0.48 C ATOM 0 H THR A 49 5.813 -4.175 8.403 1.00 0.35 H new ATOM 0 HA THR A 49 8.696 -4.356 7.633 1.00 0.42 H new ATOM 0 HB THR A 49 8.173 -6.127 9.356 1.00 0.45 H new ATOM 0 HG1 THR A 49 8.890 -7.879 8.003 1.00 0.57 H new ATOM 0 HG21 THR A 49 6.588 -7.925 8.735 1.00 0.48 H new ATOM 0 HG22 THR A 49 5.763 -6.351 8.841 1.00 0.48 H new ATOM 0 HG23 THR A 49 6.165 -7.040 7.250 1.00 0.48 H new ATOM 768 N VAL A 50 8.018 -5.368 5.341 1.00 0.44 N ATOM 769 CA VAL A 50 7.593 -5.533 3.918 1.00 0.33 C ATOM 770 C VAL A 50 6.510 -6.611 3.810 1.00 0.37 C ATOM 771 O VAL A 50 5.568 -6.479 3.055 1.00 0.40 O ATOM 772 CB VAL A 50 8.800 -5.946 3.074 1.00 0.42 C ATOM 773 CG1 VAL A 50 8.354 -6.253 1.641 1.00 0.47 C ATOM 774 CG2 VAL A 50 9.824 -4.809 3.056 1.00 0.44 C ATOM 0 H VAL A 50 9.000 -5.578 5.518 1.00 0.44 H new ATOM 0 HA VAL A 50 7.191 -4.587 3.556 1.00 0.33 H new ATOM 0 HB VAL A 50 9.251 -6.838 3.508 1.00 0.42 H new ATOM 0 HG11 VAL A 50 9.219 -6.546 1.046 1.00 0.47 H new ATOM 0 HG12 VAL A 50 7.628 -7.066 1.652 1.00 0.47 H new ATOM 0 HG13 VAL A 50 7.897 -5.365 1.204 1.00 0.47 H new ATOM 0 HG21 VAL A 50 10.684 -5.103 2.455 1.00 0.44 H new ATOM 0 HG22 VAL A 50 9.369 -3.916 2.626 1.00 0.44 H new ATOM 0 HG23 VAL A 50 10.149 -4.596 4.074 1.00 0.44 H new ATOM 784 N GLU A 51 6.637 -7.684 4.544 1.00 0.43 N ATOM 785 CA GLU A 51 5.610 -8.762 4.455 1.00 0.53 C ATOM 786 C GLU A 51 4.233 -8.134 4.654 1.00 0.49 C ATOM 787 O GLU A 51 3.280 -8.470 3.980 1.00 0.62 O ATOM 788 CB GLU A 51 5.869 -9.815 5.540 1.00 0.66 C ATOM 789 CG GLU A 51 4.849 -10.951 5.417 1.00 1.57 C ATOM 790 CD GLU A 51 5.116 -11.996 6.503 1.00 1.95 C ATOM 791 OE1 GLU A 51 6.147 -11.902 7.148 1.00 2.64 O ATOM 792 OE2 GLU A 51 4.286 -12.875 6.668 1.00 2.14 O ATOM 0 H GLU A 51 7.401 -7.860 5.196 1.00 0.43 H new ATOM 0 HA GLU A 51 5.659 -9.248 3.481 1.00 0.53 H new ATOM 0 HB2 GLU A 51 6.880 -10.210 5.442 1.00 0.66 H new ATOM 0 HB3 GLU A 51 5.800 -9.358 6.527 1.00 0.66 H new ATOM 0 HG2 GLU A 51 3.837 -10.558 5.516 1.00 1.57 H new ATOM 0 HG3 GLU A 51 4.917 -11.410 4.431 1.00 1.57 H new ATOM 799 N GLY A 52 4.129 -7.206 5.559 1.00 0.40 N ATOM 800 CA GLY A 52 2.825 -6.533 5.786 1.00 0.41 C ATOM 801 C GLY A 52 2.520 -5.613 4.601 1.00 0.31 C ATOM 802 O GLY A 52 1.378 -5.413 4.237 1.00 0.35 O ATOM 0 H GLY A 52 4.893 -6.884 6.153 1.00 0.40 H new ATOM 0 HA2 GLY A 52 2.034 -7.275 5.899 1.00 0.41 H new ATOM 0 HA3 GLY A 52 2.856 -5.957 6.711 1.00 0.41 H new ATOM 806 N VAL A 53 3.533 -5.037 3.999 1.00 0.22 N ATOM 807 CA VAL A 53 3.283 -4.120 2.849 1.00 0.15 C ATOM 808 C VAL A 53 2.639 -4.894 1.688 1.00 0.14 C ATOM 809 O VAL A 53 1.644 -4.477 1.140 1.00 0.17 O ATOM 810 CB VAL A 53 4.611 -3.514 2.380 1.00 0.14 C ATOM 811 CG1 VAL A 53 4.396 -2.728 1.082 1.00 0.19 C ATOM 812 CG2 VAL A 53 5.152 -2.573 3.461 1.00 0.14 C ATOM 0 H VAL A 53 4.513 -5.162 4.253 1.00 0.22 H new ATOM 0 HA VAL A 53 2.608 -3.326 3.168 1.00 0.15 H new ATOM 0 HB VAL A 53 5.327 -4.316 2.200 1.00 0.14 H new ATOM 0 HG11 VAL A 53 5.344 -2.300 0.755 1.00 0.19 H new ATOM 0 HG12 VAL A 53 4.014 -3.397 0.311 1.00 0.19 H new ATOM 0 HG13 VAL A 53 3.677 -1.927 1.256 1.00 0.19 H new ATOM 0 HG21 VAL A 53 6.096 -2.142 3.129 1.00 0.14 H new ATOM 0 HG22 VAL A 53 4.432 -1.775 3.642 1.00 0.14 H new ATOM 0 HG23 VAL A 53 5.313 -3.132 4.383 1.00 0.14 H new ATOM 822 N LYS A 54 3.197 -6.011 1.301 1.00 0.18 N ATOM 823 CA LYS A 54 2.603 -6.781 0.163 1.00 0.21 C ATOM 824 C LYS A 54 1.266 -7.412 0.571 1.00 0.20 C ATOM 825 O LYS A 54 0.326 -7.441 -0.198 1.00 0.21 O ATOM 826 CB LYS A 54 3.576 -7.876 -0.285 1.00 0.26 C ATOM 827 CG LYS A 54 3.852 -8.831 0.877 1.00 0.30 C ATOM 828 CD LYS A 54 5.007 -9.770 0.507 1.00 0.78 C ATOM 829 CE LYS A 54 4.633 -10.611 -0.722 1.00 1.14 C ATOM 830 NZ LYS A 54 4.903 -9.828 -1.962 1.00 1.73 N ATOM 0 H LYS A 54 4.032 -6.423 1.718 1.00 0.18 H new ATOM 0 HA LYS A 54 2.423 -6.093 -0.663 1.00 0.21 H new ATOM 0 HB2 LYS A 54 3.156 -8.426 -1.128 1.00 0.26 H new ATOM 0 HB3 LYS A 54 4.508 -7.428 -0.629 1.00 0.26 H new ATOM 0 HG2 LYS A 54 4.103 -8.265 1.774 1.00 0.30 H new ATOM 0 HG3 LYS A 54 2.957 -9.411 1.105 1.00 0.30 H new ATOM 0 HD2 LYS A 54 5.906 -9.189 0.299 1.00 0.78 H new ATOM 0 HD3 LYS A 54 5.237 -10.424 1.348 1.00 0.78 H new ATOM 0 HE2 LYS A 54 5.209 -11.537 -0.731 1.00 1.14 H new ATOM 0 HE3 LYS A 54 3.580 -10.891 -0.678 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 4.004 -9.607 -2.436 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 5.391 -8.943 -1.715 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 5.503 -10.387 -2.602 1.00 1.73 H new ATOM 844 N ALA A 55 1.172 -7.926 1.767 1.00 0.22 N ATOM 845 CA ALA A 55 -0.105 -8.561 2.209 1.00 0.23 C ATOM 846 C ALA A 55 -1.190 -7.496 2.357 1.00 0.20 C ATOM 847 O ALA A 55 -2.347 -7.726 2.064 1.00 0.19 O ATOM 848 CB ALA A 55 0.112 -9.262 3.552 1.00 0.30 C ATOM 0 H ALA A 55 1.923 -7.934 2.457 1.00 0.22 H new ATOM 0 HA ALA A 55 -0.420 -9.291 1.464 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -0.820 -9.726 3.875 1.00 0.30 H new ATOM 0 HB2 ALA A 55 0.880 -10.028 3.443 1.00 0.30 H new ATOM 0 HB3 ALA A 55 0.431 -8.532 4.296 1.00 0.30 H new ATOM 854 N LEU A 56 -0.825 -6.334 2.809 1.00 0.20 N ATOM 855 CA LEU A 56 -1.829 -5.252 2.977 1.00 0.21 C ATOM 856 C LEU A 56 -2.298 -4.787 1.593 1.00 0.18 C ATOM 857 O LEU A 56 -3.464 -4.549 1.366 1.00 0.19 O ATOM 858 CB LEU A 56 -1.189 -4.113 3.764 1.00 0.26 C ATOM 859 CG LEU A 56 -2.160 -2.932 3.902 1.00 0.30 C ATOM 860 CD1 LEU A 56 -3.461 -3.392 4.583 1.00 0.34 C ATOM 861 CD2 LEU A 56 -1.492 -1.833 4.749 1.00 0.46 C ATOM 0 H LEU A 56 0.129 -6.085 3.071 1.00 0.20 H new ATOM 0 HA LEU A 56 -2.700 -5.607 3.528 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -0.897 -4.467 4.753 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -0.279 -3.785 3.262 1.00 0.26 H new ATOM 0 HG LEU A 56 -2.402 -2.543 2.913 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -4.142 -2.546 4.676 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -3.930 -4.171 3.983 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -3.234 -3.785 5.574 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -2.174 -0.989 4.853 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -1.252 -2.229 5.736 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -0.577 -1.502 4.259 1.00 0.46 H new ATOM 873 N ILE A 57 -1.406 -4.686 0.652 1.00 0.16 N ATOM 874 CA ILE A 57 -1.828 -4.287 -0.720 1.00 0.17 C ATOM 875 C ILE A 57 -2.588 -5.458 -1.345 1.00 0.17 C ATOM 876 O ILE A 57 -3.571 -5.283 -2.038 1.00 0.20 O ATOM 877 CB ILE A 57 -0.594 -3.986 -1.571 1.00 0.18 C ATOM 878 CG1 ILE A 57 0.133 -2.742 -1.023 1.00 0.19 C ATOM 879 CG2 ILE A 57 -0.999 -3.758 -3.030 1.00 0.23 C ATOM 880 CD1 ILE A 57 -0.765 -1.492 -1.075 1.00 0.21 C ATOM 0 H ILE A 57 -0.408 -4.861 0.770 1.00 0.16 H new ATOM 0 HA ILE A 57 -2.458 -3.399 -0.673 1.00 0.17 H new ATOM 0 HB ILE A 57 0.081 -4.840 -1.525 1.00 0.18 H new ATOM 0 HG12 ILE A 57 0.444 -2.925 0.006 1.00 0.19 H new ATOM 0 HG13 ILE A 57 1.039 -2.564 -1.603 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -0.111 -3.545 -3.625 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -1.488 -4.652 -3.416 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -1.687 -2.914 -3.089 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -0.219 -0.635 -0.681 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -1.054 -1.294 -2.107 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -1.659 -1.661 -0.474 1.00 0.21 H new ATOM 892 N ASP A 58 -2.116 -6.657 -1.113 1.00 0.16 N ATOM 893 CA ASP A 58 -2.782 -7.856 -1.702 1.00 0.19 C ATOM 894 C ASP A 58 -4.180 -8.034 -1.108 1.00 0.19 C ATOM 895 O ASP A 58 -5.120 -8.353 -1.809 1.00 0.22 O ATOM 896 CB ASP A 58 -1.946 -9.105 -1.408 1.00 0.21 C ATOM 897 CG ASP A 58 -2.590 -10.326 -2.072 1.00 0.50 C ATOM 898 OD1 ASP A 58 -3.746 -10.232 -2.450 1.00 1.17 O ATOM 899 OD2 ASP A 58 -1.915 -11.335 -2.190 1.00 1.11 O ATOM 0 H ASP A 58 -1.296 -6.856 -0.540 1.00 0.16 H new ATOM 0 HA ASP A 58 -2.868 -7.714 -2.779 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -0.930 -8.970 -1.780 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -1.873 -9.261 -0.332 1.00 0.21 H new ATOM 904 N GLU A 59 -4.336 -7.834 0.173 1.00 0.18 N ATOM 905 CA GLU A 59 -5.686 -8.001 0.773 1.00 0.21 C ATOM 906 C GLU A 59 -6.571 -6.860 0.283 1.00 0.24 C ATOM 907 O GLU A 59 -7.737 -7.040 -0.003 1.00 0.30 O ATOM 908 CB GLU A 59 -5.587 -8.028 2.316 1.00 0.23 C ATOM 909 CG GLU A 59 -5.462 -6.619 2.894 1.00 0.25 C ATOM 910 CD GLU A 59 -5.317 -6.706 4.415 1.00 0.38 C ATOM 911 OE1 GLU A 59 -5.510 -7.786 4.948 1.00 1.04 O ATOM 912 OE2 GLU A 59 -5.019 -5.690 5.022 1.00 0.98 O ATOM 0 H GLU A 59 -3.596 -7.566 0.821 1.00 0.18 H new ATOM 0 HA GLU A 59 -6.127 -8.950 0.466 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -6.470 -8.515 2.730 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -4.725 -8.623 2.616 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -4.598 -6.112 2.463 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -6.340 -6.028 2.634 1.00 0.25 H new ATOM 919 N ILE A 60 -6.017 -5.684 0.173 1.00 0.23 N ATOM 920 CA ILE A 60 -6.823 -4.537 -0.311 1.00 0.27 C ATOM 921 C ILE A 60 -7.130 -4.737 -1.797 1.00 0.28 C ATOM 922 O ILE A 60 -8.230 -4.495 -2.252 1.00 0.33 O ATOM 923 CB ILE A 60 -6.042 -3.239 -0.102 1.00 0.28 C ATOM 924 CG1 ILE A 60 -5.934 -2.961 1.399 1.00 0.29 C ATOM 925 CG2 ILE A 60 -6.773 -2.079 -0.784 1.00 0.33 C ATOM 926 CD1 ILE A 60 -4.903 -1.858 1.641 1.00 0.27 C ATOM 0 H ILE A 60 -5.045 -5.472 0.397 1.00 0.23 H new ATOM 0 HA ILE A 60 -7.758 -4.476 0.245 1.00 0.27 H new ATOM 0 HB ILE A 60 -5.046 -3.337 -0.535 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -6.904 -2.660 1.794 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -5.642 -3.868 1.928 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -6.213 -1.156 -0.632 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -6.858 -2.280 -1.852 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -7.769 -1.973 -0.354 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -4.826 -1.660 2.710 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -3.933 -2.177 1.260 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -5.214 -0.950 1.125 1.00 0.27 H new ATOM 938 N LEU A 61 -6.170 -5.199 -2.555 1.00 0.25 N ATOM 939 CA LEU A 61 -6.417 -5.436 -4.005 1.00 0.30 C ATOM 940 C LEU A 61 -7.407 -6.594 -4.157 1.00 0.33 C ATOM 941 O LEU A 61 -8.289 -6.565 -4.992 1.00 0.46 O ATOM 942 CB LEU A 61 -5.093 -5.776 -4.718 1.00 0.29 C ATOM 943 CG LEU A 61 -4.297 -4.495 -5.034 1.00 0.32 C ATOM 944 CD1 LEU A 61 -2.933 -4.881 -5.638 1.00 1.15 C ATOM 945 CD2 LEU A 61 -5.075 -3.605 -6.035 1.00 1.27 C ATOM 0 H LEU A 61 -5.228 -5.421 -2.232 1.00 0.25 H new ATOM 0 HA LEU A 61 -6.833 -4.536 -4.458 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -4.495 -6.435 -4.089 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -5.300 -6.318 -5.641 1.00 0.29 H new ATOM 0 HG LEU A 61 -4.149 -3.933 -4.112 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -2.366 -3.978 -5.863 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -2.378 -5.489 -4.924 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -3.089 -5.450 -6.555 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -4.498 -2.705 -6.246 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -5.239 -4.157 -6.961 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -6.036 -3.326 -5.603 1.00 1.27 H new ATOM 957 N ALA A 62 -7.271 -7.612 -3.353 1.00 0.28 N ATOM 958 CA ALA A 62 -8.205 -8.768 -3.446 1.00 0.32 C ATOM 959 C ALA A 62 -9.593 -8.341 -2.959 1.00 0.37 C ATOM 960 O ALA A 62 -10.603 -8.841 -3.413 1.00 0.48 O ATOM 961 CB ALA A 62 -7.688 -9.911 -2.571 1.00 0.31 C ATOM 0 H ALA A 62 -6.552 -7.693 -2.634 1.00 0.28 H new ATOM 0 HA ALA A 62 -8.269 -9.103 -4.481 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -8.371 -10.758 -2.638 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -6.699 -10.214 -2.915 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -7.625 -9.577 -1.535 1.00 0.31 H new ATOM 967 N ALA A 63 -9.647 -7.423 -2.033 1.00 0.41 N ATOM 968 CA ALA A 63 -10.965 -6.965 -1.508 1.00 0.50 C ATOM 969 C ALA A 63 -11.804 -6.378 -2.647 1.00 0.70 C ATOM 970 O ALA A 63 -12.999 -6.586 -2.717 1.00 1.15 O ATOM 971 CB ALA A 63 -10.742 -5.895 -0.437 1.00 0.72 C ATOM 0 H ALA A 63 -8.834 -6.969 -1.617 1.00 0.41 H new ATOM 0 HA ALA A 63 -11.493 -7.814 -1.074 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -11.705 -5.559 -0.052 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -10.152 -6.314 0.378 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -10.210 -5.049 -0.873 1.00 0.72 H new ATOM 977 N LEU A 64 -11.194 -5.640 -3.534 1.00 0.59 N ATOM 978 CA LEU A 64 -11.970 -5.039 -4.656 1.00 0.85 C ATOM 979 C LEU A 64 -12.481 -6.166 -5.575 1.00 1.41 C ATOM 980 O LEU A 64 -11.825 -7.180 -5.717 1.00 1.62 O ATOM 981 CB LEU A 64 -11.050 -4.109 -5.459 1.00 0.65 C ATOM 982 CG LEU A 64 -10.512 -2.990 -4.551 1.00 0.53 C ATOM 983 CD1 LEU A 64 -9.275 -2.360 -5.195 1.00 0.68 C ATOM 984 CD2 LEU A 64 -11.580 -1.905 -4.350 1.00 0.84 C ATOM 0 H LEU A 64 -10.196 -5.428 -3.531 1.00 0.59 H new ATOM 0 HA LEU A 64 -12.815 -4.473 -4.263 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -10.221 -4.678 -5.879 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -11.597 -3.677 -6.297 1.00 0.65 H new ATOM 0 HG LEU A 64 -10.252 -3.419 -3.584 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -8.894 -1.567 -4.552 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -8.506 -3.121 -5.327 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -9.543 -1.942 -6.166 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -11.184 -1.120 -3.705 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -11.852 -1.479 -5.316 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -12.463 -2.345 -3.886 1.00 0.84 H new ATOM 996 N PRO A 65 -13.632 -6.011 -6.204 1.00 1.85 N ATOM 997 CA PRO A 65 -14.156 -7.079 -7.107 1.00 2.43 C ATOM 998 C PRO A 65 -13.212 -7.346 -8.289 1.00 2.62 C ATOM 999 O PRO A 65 -13.272 -8.435 -8.836 1.00 2.81 O ATOM 1000 CB PRO A 65 -15.503 -6.489 -7.578 1.00 2.89 C ATOM 1001 CG PRO A 65 -15.554 -5.011 -7.149 1.00 2.69 C ATOM 1002 CD PRO A 65 -14.483 -4.792 -6.070 1.00 2.01 C ATOM 1003 OXT PRO A 65 -12.448 -6.456 -8.624 1.00 3.05 O ATOM 0 HA PRO A 65 -14.254 -8.047 -6.615 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -15.598 -6.575 -8.660 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -16.334 -7.041 -7.140 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -15.372 -4.360 -8.004 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -16.542 -4.761 -6.762 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -13.913 -3.879 -6.244 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -14.921 -4.710 -5.075 1.00 2.01 H new TER 1011 PRO A 65 END