USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ANTIFREEZE 24-FEB-98 3RDN TITLE NMR STRUCTURE OF THE N-TERMINAL DOMAIN WITH A LINKER TITLE 2 PORTION OF ANTARCTIC EEL POUT ANTIFREEZE PROTEIN RD3, TITLE 3 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANTIFREEZE PROTEIN RD3 TYPE III; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN WITH A LINKER PORTION; COMPND 5 SYNONYM: RD3-NL; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LYCODICHTHYS DEARBORNI; SOURCE 3 ORGANISM_COMMON: ANTARCTIC EEL POUT; SOURCE 4 ORGANISM_TAXID: 8201; SOURCE 5 VARIANT: RD3; SOURCE 6 ORGAN: BLOOD; SOURCE 7 TISSUE: BLOOD PLASMA; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: JM105; SOURCE 1 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 2 EXPRESSION_SYSTEM_PLASMID: PKK223-3UC KEYWDS ANTIFREEZE PROTEIN, THERMAL HYSTERESIS PROTEIN, ICE BINDING KEYWDS 2 PROTEIN EXPDTA SOLUTION NMR AUTHOR K.MIURA,S.OHGIYA,T.HOSHINO,N.NEMOTO,K.HIKICHI,S.TSUDA REVDAT 2 24-FEB-09 3RDN 1 VERSN REVDAT 1 23-FEB-99 3RDN 0 JRNL AUTH Z.JIA,C.I.DELUCA,H.CHAO,P.L.DAVIES JRNL TITL STRUCTURAL BASIS FOR THE BINDING OF A GLOBULAR JRNL TITL 2 ANTIFREEZE PROTEIN TO ICE. JRNL REF NATURE V. 384 285 1996 JRNL REFN ISSN 0028-0836 JRNL PMID 8918883 JRNL DOI 10.1038/384285A0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Z.JIA,C.I.DELUCA,H.CHAO,P.L.DAVIES REMARK 1 TITL STRUCTURAL BASIS FOR THE BINDING OF A GLOBULAR REMARK 1 TITL 2 ANTIFREEZE PROTEIN TO ICE REMARK 1 REF NATURE V. 384 285 1996 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 2 REMARK 1 AUTH F.D.SONNICHSEN,C.I.DELUCA,P.L.DAVIES,B.D.SYKES REMARK 1 TITL REFINED SOLUTION STRUCTURE OF TYPE III ANTIFREEZE REMARK 1 TITL 2 PROTEIN: HYDROPHOBIC GROUPS MAY BE INVOLVED IN THE REMARK 1 TITL 3 ENERGETICS OF THE PROTEIN-ICE INTERACTION REMARK 1 REF STRUCTURE V. 4 1325 1996 REMARK 1 REFN ISSN 0969-2126 REMARK 1 REFERENCE 3 REMARK 1 AUTH X.WANG,A.L.DEVRIES,C.H.CHENG REMARK 1 TITL ANTIFREEZE PEPTIDE HETEROGENEITY IN AN ANTARCTIC REMARK 1 TITL 2 EEL POUT INCLUDES AN UNUSUALLY LARGE MAJOR VARIANT REMARK 1 TITL 3 COMPRISED OF TWO 7 KDA TYPE III AFPS LINKED IN REMARK 1 TITL 4 TANDEM REMARK 1 REF BIOCHIM.BIOPHYS.ACTA V.1247 163 1995 REMARK 1 REFN ISSN 0006-3002 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 3RDN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 277 REMARK 210 PH : 6.7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQFCOSY, TOCSY, NOESY, 15N- REMARK 210 HSQC, 15N_TOCSYHSQC, 15N- REMARK 210 NOESYHSQC, 15N-HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY, JNM-A REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, JEOL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.851 REMARK 210 METHOD USED : SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING DOUBLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 15N-LABELED RD3-NL 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 0 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 PRO A 12 -168.44 -74.16 REMARK 500 ALA A 34 34.04 -88.43 REMARK 500 PRO A 50 -168.48 -70.32 REMARK 500 THR A 67 -84.59 -92.09 REMARK 500 THR A 68 -78.43 -111.14 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 47 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: 1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: ICE BINDING SITE. DBREF 3RDN A 1 73 UNP P35753 ANP3_RHIDE 1 73 SEQRES 1 A 74 MET ASN LYS ALA SER VAL VAL ALA ASN GLN LEU ILE PRO SEQRES 2 A 74 ILE ASN THR ALA LEU THR LEU ILE MET MET LYS ALA GLU SEQRES 3 A 74 VAL VAL THR PRO MET GLY ILE PRO ALA GLU GLU ILE PRO SEQRES 4 A 74 ASN LEU VAL GLY MET GLN VAL ASN ARG ALA VAL PRO LEU SEQRES 5 A 74 GLY THR THR LEU MET PRO ASP MET VAL LYS ASN TYR GLU SEQRES 6 A 74 ASP GLY THR THR SER PRO GLY LEU LYS HELIX 1 1 ILE A 37 LEU A 40 1 4 SHEET 1 A 2 SER A 4 ALA A 7 0 SHEET 2 A 2 MET A 22 GLU A 25 -1 N GLU A 25 O SER A 4 CISPEP 1 THR A 28 PRO A 29 0 -0.15 SITE *** 1 5 GLN A 9 ASN A 14 THR A 15 THR A 18 SITE *** 1 5 GLN A 44 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 160:sc= -0.778 USER MOD Set 1.2: A 21 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -8:sc= 0.339 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 9 GLN : amide:sc=-0.000716 X(o=-0.00072,f=-0.28) USER MOD Single : A 14 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.12) USER MOD Single : A 15 THR OG1 : rot 114:sc= 0.997 USER MOD Single : A 22 MET CE :methyl -141:sc= -5.39! (180deg=-7.92!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0.081) USER MOD Single : A 43 MET CE :methyl -150:sc= -0.882 (180deg=-2.73!) USER MOD Single : A 44 GLN : amide:sc=-0.00854 K(o=-0.0085,f=-2.4!) USER MOD Single : A 46 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.4!) USER MOD Single : A 53 THR OG1 : rot -40:sc= -1.52 USER MOD Single : A 54 THR OG1 : rot 130:sc= 0.0209 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -150:sc= 0 (180deg=-0.048) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.4!) USER MOD Single : A 63 TYR OH : rot -15:sc= -0.399 USER MOD Single : A 67 THR OG1 : rot 105:sc= 0.0892 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 11.762 7.106 -9.536 1.00 1.82 N ATOM 2 CA ASN A 1 13.146 7.382 -9.040 1.00 1.28 C ATOM 3 C ASN A 1 13.477 6.475 -7.846 1.00 1.11 C ATOM 4 O ASN A 1 14.438 5.729 -7.877 1.00 1.14 O ATOM 5 CB ASN A 1 13.138 8.854 -8.615 1.00 1.78 C ATOM 6 CG ASN A 1 14.565 9.407 -8.653 1.00 2.66 C ATOM 7 OD1 ASN A 1 15.269 9.374 -7.663 1.00 3.20 O ATOM 8 ND2 ASN A 1 15.028 9.914 -9.764 1.00 3.44 N ATOM 0 H1 ASN A 1 11.552 7.727 -10.344 1.00 1.82 H new ATOM 0 H2 ASN A 1 11.692 6.113 -9.836 1.00 1.82 H new ATOM 0 H3 ASN A 1 11.078 7.286 -8.774 1.00 1.82 H new ATOM 0 HA ASN A 1 13.900 7.186 -9.803 1.00 1.28 H new ATOM 0 HB2 ASN A 1 12.496 9.431 -9.280 1.00 1.78 H new ATOM 0 HB3 ASN A 1 12.726 8.951 -7.610 1.00 1.78 H new ATOM 0 HD21 ASN A 1 15.979 10.281 -9.800 1.00 3.44 H new ATOM 0 HD22 ASN A 1 14.439 9.943 -10.596 1.00 3.44 H new ATOM 9 N LYS A 2 12.689 6.536 -6.796 1.00 1.04 N ATOM 10 CA LYS A 2 12.956 5.679 -5.599 1.00 0.95 C ATOM 11 C LYS A 2 12.160 4.371 -5.690 1.00 0.81 C ATOM 12 O LYS A 2 11.460 4.123 -6.656 1.00 0.82 O ATOM 13 CB LYS A 2 12.492 6.511 -4.398 1.00 1.04 C ATOM 14 CG LYS A 2 13.579 7.523 -4.020 1.00 1.65 C ATOM 15 CD LYS A 2 13.206 8.905 -4.563 1.00 1.98 C ATOM 16 CE LYS A 2 12.470 9.704 -3.480 1.00 2.75 C ATOM 17 NZ LYS A 2 13.497 10.616 -2.897 1.00 3.27 N ATOM 0 H LYS A 2 11.873 7.143 -6.719 1.00 1.04 H new ATOM 0 HA LYS A 2 14.007 5.403 -5.519 1.00 0.95 H new ATOM 0 HB2 LYS A 2 11.565 7.031 -4.640 1.00 1.04 H new ATOM 0 HB3 LYS A 2 12.279 5.858 -3.551 1.00 1.04 H new ATOM 0 HG2 LYS A 2 13.690 7.565 -2.936 1.00 1.65 H new ATOM 0 HG3 LYS A 2 14.540 7.209 -4.427 1.00 1.65 H new ATOM 0 HD2 LYS A 2 14.104 9.438 -4.875 1.00 1.98 H new ATOM 0 HD3 LYS A 2 12.574 8.802 -5.445 1.00 1.98 H new ATOM 0 HE2 LYS A 2 11.639 10.268 -3.904 1.00 2.75 H new ATOM 0 HE3 LYS A 2 12.053 9.044 -2.719 1.00 2.75 H new ATOM 0 HZ1 LYS A 2 13.064 11.194 -2.149 1.00 3.27 H new ATOM 0 HZ2 LYS A 2 14.273 10.053 -2.494 1.00 3.27 H new ATOM 0 HZ3 LYS A 2 13.871 11.238 -3.641 1.00 3.27 H new ATOM 18 N ALA A 3 12.266 3.530 -4.689 1.00 0.74 N ATOM 19 CA ALA A 3 11.520 2.233 -4.709 1.00 0.65 C ATOM 20 C ALA A 3 10.118 2.411 -4.118 1.00 0.59 C ATOM 21 O ALA A 3 9.943 3.032 -3.085 1.00 0.65 O ATOM 22 CB ALA A 3 12.346 1.277 -3.848 1.00 0.67 C ATOM 0 H ALA A 3 12.837 3.686 -3.859 1.00 0.74 H new ATOM 0 HA ALA A 3 11.390 1.856 -5.723 1.00 0.65 H new ATOM 0 HB1 ALA A 3 11.859 0.303 -3.816 1.00 0.67 H new ATOM 0 HB2 ALA A 3 13.343 1.171 -4.276 1.00 0.67 H new ATOM 0 HB3 ALA A 3 12.426 1.675 -2.837 1.00 0.67 H new ATOM 23 N SER A 4 9.124 1.863 -4.769 1.00 0.56 N ATOM 24 CA SER A 4 7.724 1.984 -4.257 1.00 0.55 C ATOM 25 C SER A 4 7.305 0.689 -3.549 1.00 0.49 C ATOM 26 O SER A 4 7.930 -0.345 -3.703 1.00 0.50 O ATOM 27 CB SER A 4 6.861 2.223 -5.498 1.00 0.60 C ATOM 28 OG SER A 4 5.642 2.844 -5.111 1.00 1.43 O ATOM 0 H SER A 4 9.221 1.335 -5.636 1.00 0.56 H new ATOM 0 HA SER A 4 7.620 2.791 -3.531 1.00 0.55 H new ATOM 0 HB2 SER A 4 7.394 2.854 -6.209 1.00 0.60 H new ATOM 0 HB3 SER A 4 6.657 1.278 -6.001 1.00 0.60 H new ATOM 0 HG SER A 4 5.579 2.860 -4.133 1.00 1.43 H new ATOM 29 N VAL A 5 6.251 0.744 -2.774 1.00 0.49 N ATOM 30 CA VAL A 5 5.781 -0.474 -2.044 1.00 0.46 C ATOM 31 C VAL A 5 4.859 -1.311 -2.941 1.00 0.42 C ATOM 32 O VAL A 5 3.857 -0.828 -3.436 1.00 0.48 O ATOM 33 CB VAL A 5 5.015 0.061 -0.825 1.00 0.53 C ATOM 34 CG1 VAL A 5 4.383 -1.105 -0.060 1.00 0.58 C ATOM 35 CG2 VAL A 5 5.981 0.806 0.100 1.00 0.67 C ATOM 0 H VAL A 5 5.693 1.583 -2.615 1.00 0.49 H new ATOM 0 HA VAL A 5 6.606 -1.123 -1.751 1.00 0.46 H new ATOM 0 HB VAL A 5 4.233 0.741 -1.163 1.00 0.53 H new ATOM 0 HG11 VAL A 5 3.840 -0.722 0.804 1.00 0.58 H new ATOM 0 HG12 VAL A 5 3.693 -1.638 -0.714 1.00 0.58 H new ATOM 0 HG13 VAL A 5 5.165 -1.786 0.276 1.00 0.58 H new ATOM 0 HG21 VAL A 5 5.437 1.185 0.965 1.00 0.67 H new ATOM 0 HG22 VAL A 5 6.763 0.125 0.434 1.00 0.67 H new ATOM 0 HG23 VAL A 5 6.431 1.639 -0.439 1.00 0.67 H new ATOM 36 N VAL A 6 5.195 -2.561 -3.146 1.00 0.40 N ATOM 37 CA VAL A 6 4.346 -3.448 -4.003 1.00 0.41 C ATOM 38 C VAL A 6 4.037 -4.748 -3.252 1.00 0.40 C ATOM 39 O VAL A 6 4.923 -5.379 -2.702 1.00 0.50 O ATOM 40 CB VAL A 6 5.180 -3.738 -5.262 1.00 0.46 C ATOM 41 CG1 VAL A 6 4.310 -4.450 -6.300 1.00 0.56 C ATOM 42 CG2 VAL A 6 5.702 -2.425 -5.861 1.00 0.51 C ATOM 0 H VAL A 6 6.025 -3.008 -2.755 1.00 0.40 H new ATOM 0 HA VAL A 6 3.394 -2.982 -4.258 1.00 0.41 H new ATOM 0 HB VAL A 6 6.024 -4.372 -4.988 1.00 0.46 H new ATOM 0 HG11 VAL A 6 4.902 -4.655 -7.192 1.00 0.56 H new ATOM 0 HG12 VAL A 6 3.943 -5.388 -5.885 1.00 0.56 H new ATOM 0 HG13 VAL A 6 3.465 -3.814 -6.564 1.00 0.56 H new ATOM 0 HG21 VAL A 6 6.291 -2.641 -6.752 1.00 0.51 H new ATOM 0 HG22 VAL A 6 4.860 -1.787 -6.129 1.00 0.51 H new ATOM 0 HG23 VAL A 6 6.326 -1.914 -5.128 1.00 0.51 H new ATOM 43 N ALA A 7 2.790 -5.153 -3.223 1.00 0.37 N ATOM 44 CA ALA A 7 2.419 -6.414 -2.506 1.00 0.40 C ATOM 45 C ALA A 7 3.118 -7.615 -3.150 1.00 0.43 C ATOM 46 O ALA A 7 2.968 -7.871 -4.328 1.00 0.47 O ATOM 47 CB ALA A 7 0.901 -6.536 -2.656 1.00 0.40 C ATOM 0 H ALA A 7 2.012 -4.664 -3.666 1.00 0.37 H new ATOM 0 HA ALA A 7 2.721 -6.391 -1.459 1.00 0.40 H new ATOM 0 HB1 ALA A 7 0.557 -7.440 -2.153 1.00 0.40 H new ATOM 0 HB2 ALA A 7 0.420 -5.667 -2.208 1.00 0.40 H new ATOM 0 HB3 ALA A 7 0.643 -6.588 -3.714 1.00 0.40 H new ATOM 48 N ASN A 8 3.883 -8.349 -2.381 1.00 0.50 N ATOM 49 CA ASN A 8 4.599 -9.539 -2.938 1.00 0.58 C ATOM 50 C ASN A 8 3.609 -10.680 -3.201 1.00 0.57 C ATOM 51 O ASN A 8 3.664 -11.330 -4.227 1.00 0.62 O ATOM 52 CB ASN A 8 5.613 -9.938 -1.859 1.00 0.67 C ATOM 53 CG ASN A 8 6.620 -10.931 -2.444 1.00 1.26 C ATOM 54 OD1 ASN A 8 7.468 -10.561 -3.234 1.00 1.96 O ATOM 55 ND2 ASN A 8 6.565 -12.187 -2.090 1.00 1.92 N ATOM 0 H ASN A 8 4.043 -8.175 -1.389 1.00 0.50 H new ATOM 0 HA ASN A 8 5.085 -9.319 -3.888 1.00 0.58 H new ATOM 0 HB2 ASN A 8 6.132 -9.054 -1.488 1.00 0.67 H new ATOM 0 HB3 ASN A 8 5.098 -10.385 -1.009 1.00 0.67 H new ATOM 0 HD21 ASN A 8 7.232 -12.855 -2.476 1.00 1.92 H new ATOM 0 HD22 ASN A 8 5.855 -12.500 -1.428 1.00 1.92 H new ATOM 56 N GLN A 9 2.703 -10.923 -2.282 1.00 0.55 N ATOM 57 CA GLN A 9 1.704 -12.020 -2.476 1.00 0.58 C ATOM 58 C GLN A 9 0.348 -11.443 -2.910 1.00 0.52 C ATOM 59 O GLN A 9 0.195 -10.246 -3.080 1.00 0.48 O ATOM 60 CB GLN A 9 1.597 -12.712 -1.108 1.00 0.65 C ATOM 61 CG GLN A 9 0.688 -11.904 -0.171 1.00 0.60 C ATOM 62 CD GLN A 9 0.618 -12.587 1.197 1.00 0.76 C ATOM 63 OE1 GLN A 9 1.612 -12.693 1.888 1.00 1.39 O ATOM 64 NE2 GLN A 9 -0.525 -13.057 1.622 1.00 1.28 N ATOM 0 H GLN A 9 2.614 -10.408 -1.406 1.00 0.55 H new ATOM 0 HA GLN A 9 2.006 -12.718 -3.257 1.00 0.58 H new ATOM 0 HB2 GLN A 9 1.199 -13.719 -1.233 1.00 0.65 H new ATOM 0 HB3 GLN A 9 2.588 -12.813 -0.666 1.00 0.65 H new ATOM 0 HG2 GLN A 9 1.072 -10.890 -0.062 1.00 0.60 H new ATOM 0 HG3 GLN A 9 -0.311 -11.823 -0.599 1.00 0.60 H new ATOM 0 HE21 GLN A 9 -1.360 -12.968 1.043 1.00 1.28 H new ATOM 0 HE22 GLN A 9 -0.582 -13.512 2.533 1.00 1.28 H new ATOM 65 N LEU A 10 -0.636 -12.291 -3.080 1.00 0.55 N ATOM 66 CA LEU A 10 -1.989 -11.811 -3.490 1.00 0.54 C ATOM 67 C LEU A 10 -2.907 -11.732 -2.265 1.00 0.55 C ATOM 68 O LEU A 10 -3.085 -12.702 -1.550 1.00 0.63 O ATOM 69 CB LEU A 10 -2.498 -12.859 -4.486 1.00 0.63 C ATOM 70 CG LEU A 10 -3.905 -12.483 -4.966 1.00 0.60 C ATOM 71 CD1 LEU A 10 -4.026 -12.761 -6.466 1.00 1.00 C ATOM 72 CD2 LEU A 10 -4.942 -13.318 -4.208 1.00 1.02 C ATOM 0 H LEU A 10 -0.558 -13.300 -2.951 1.00 0.55 H new ATOM 0 HA LEU A 10 -1.963 -10.815 -3.933 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.820 -12.925 -5.337 1.00 0.63 H new ATOM 0 HB3 LEU A 10 -2.515 -13.842 -4.016 1.00 0.63 H new ATOM 0 HG LEU A 10 -4.081 -11.424 -4.778 1.00 0.60 H new ATOM 0 HD11 LEU A 10 -5.026 -12.493 -6.806 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -3.288 -12.168 -7.007 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -3.850 -13.820 -6.655 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -5.943 -13.052 -4.548 1.00 1.02 H new ATOM 0 HD22 LEU A 10 -4.765 -14.377 -4.396 1.00 1.02 H new ATOM 0 HD23 LEU A 10 -4.858 -13.120 -3.139 1.00 1.02 H new ATOM 73 N ILE A 11 -3.496 -10.587 -2.025 1.00 0.55 N ATOM 74 CA ILE A 11 -4.415 -10.439 -0.851 1.00 0.61 C ATOM 75 C ILE A 11 -5.792 -9.942 -1.321 1.00 0.55 C ATOM 76 O ILE A 11 -5.882 -9.151 -2.242 1.00 0.56 O ATOM 77 CB ILE A 11 -3.753 -9.413 0.087 1.00 0.72 C ATOM 78 CG1 ILE A 11 -3.446 -8.111 -0.670 1.00 1.07 C ATOM 79 CG2 ILE A 11 -2.452 -9.993 0.649 1.00 1.12 C ATOM 80 CD1 ILE A 11 -3.978 -6.917 0.126 1.00 1.67 C ATOM 0 H ILE A 11 -3.381 -9.746 -2.591 1.00 0.55 H new ATOM 0 HA ILE A 11 -4.572 -11.388 -0.339 1.00 0.61 H new ATOM 0 HB ILE A 11 -4.441 -9.193 0.903 1.00 0.72 H new ATOM 0 HG12 ILE A 11 -2.371 -8.011 -0.821 1.00 1.07 H new ATOM 0 HG13 ILE A 11 -3.905 -8.136 -1.658 1.00 1.07 H new ATOM 0 HG21 ILE A 11 -1.986 -9.265 1.312 1.00 1.12 H new ATOM 0 HG22 ILE A 11 -2.671 -10.904 1.206 1.00 1.12 H new ATOM 0 HG23 ILE A 11 -1.772 -10.224 -0.171 1.00 1.12 H new ATOM 0 HD11 ILE A 11 -3.760 -5.995 -0.412 1.00 1.67 H new ATOM 0 HD12 ILE A 11 -5.056 -7.016 0.254 1.00 1.67 H new ATOM 0 HD13 ILE A 11 -3.498 -6.889 1.104 1.00 1.67 H new ATOM 81 N PRO A 12 -6.827 -10.428 -0.670 1.00 0.58 N ATOM 82 CA PRO A 12 -8.213 -10.028 -1.031 1.00 0.59 C ATOM 83 C PRO A 12 -8.512 -8.600 -0.552 1.00 0.58 C ATOM 84 O PRO A 12 -7.623 -7.871 -0.146 1.00 0.78 O ATOM 85 CB PRO A 12 -9.081 -11.045 -0.290 1.00 0.71 C ATOM 86 CG PRO A 12 -8.247 -11.507 0.862 1.00 0.75 C ATOM 87 CD PRO A 12 -6.803 -11.385 0.446 1.00 0.67 C ATOM 0 HA PRO A 12 -8.388 -10.024 -2.107 1.00 0.59 H new ATOM 0 HB2 PRO A 12 -10.011 -10.592 0.054 1.00 0.71 H new ATOM 0 HB3 PRO A 12 -9.352 -11.878 -0.939 1.00 0.71 H new ATOM 0 HG2 PRO A 12 -8.445 -10.902 1.747 1.00 0.75 H new ATOM 0 HG3 PRO A 12 -8.487 -12.538 1.121 1.00 0.75 H new ATOM 0 HD2 PRO A 12 -6.182 -11.025 1.266 1.00 0.67 H new ATOM 0 HD3 PRO A 12 -6.395 -12.347 0.136 1.00 0.67 H new ATOM 88 N ILE A 13 -9.759 -8.201 -0.593 1.00 0.58 N ATOM 89 CA ILE A 13 -10.128 -6.825 -0.134 1.00 0.60 C ATOM 90 C ILE A 13 -10.112 -6.765 1.400 1.00 0.62 C ATOM 91 O ILE A 13 -10.351 -7.755 2.069 1.00 0.67 O ATOM 92 CB ILE A 13 -11.545 -6.587 -0.675 1.00 0.68 C ATOM 93 CG1 ILE A 13 -11.510 -6.535 -2.208 1.00 1.12 C ATOM 94 CG2 ILE A 13 -12.090 -5.260 -0.138 1.00 0.96 C ATOM 95 CD1 ILE A 13 -12.443 -7.605 -2.781 1.00 1.70 C ATOM 0 H ILE A 13 -10.539 -8.769 -0.925 1.00 0.58 H new ATOM 0 HA ILE A 13 -9.431 -6.066 -0.490 1.00 0.60 H new ATOM 0 HB ILE A 13 -12.191 -7.403 -0.351 1.00 0.68 H new ATOM 0 HG12 ILE A 13 -11.816 -5.548 -2.555 1.00 1.12 H new ATOM 0 HG13 ILE A 13 -10.493 -6.697 -2.564 1.00 1.12 H new ATOM 0 HG21 ILE A 13 -13.096 -5.096 -0.525 1.00 0.96 H new ATOM 0 HG22 ILE A 13 -12.121 -5.294 0.951 1.00 0.96 H new ATOM 0 HG23 ILE A 13 -11.441 -4.444 -0.457 1.00 0.96 H new ATOM 0 HD11 ILE A 13 -12.416 -7.566 -3.870 1.00 1.70 H new ATOM 0 HD12 ILE A 13 -12.117 -8.589 -2.445 1.00 1.70 H new ATOM 0 HD13 ILE A 13 -13.461 -7.423 -2.436 1.00 1.70 H new ATOM 96 N ASN A 14 -9.827 -5.607 1.955 1.00 0.67 N ATOM 97 CA ASN A 14 -9.784 -5.446 3.447 1.00 0.77 C ATOM 98 C ASN A 14 -8.821 -6.465 4.076 1.00 0.71 C ATOM 99 O ASN A 14 -9.217 -7.321 4.846 1.00 0.78 O ATOM 100 CB ASN A 14 -11.223 -5.667 3.932 1.00 0.91 C ATOM 101 CG ASN A 14 -12.015 -4.362 3.799 1.00 1.55 C ATOM 102 OD1 ASN A 14 -11.652 -3.356 4.377 1.00 2.38 O ATOM 103 ND2 ASN A 14 -13.091 -4.334 3.058 1.00 1.83 N ATOM 0 H ASN A 14 -9.620 -4.757 1.431 1.00 0.67 H new ATOM 0 HA ASN A 14 -9.418 -4.461 3.736 1.00 0.77 H new ATOM 0 HB2 ASN A 14 -11.698 -6.454 3.347 1.00 0.91 H new ATOM 0 HB3 ASN A 14 -11.221 -5.999 4.970 1.00 0.91 H new ATOM 0 HD21 ASN A 14 -13.624 -3.469 2.966 1.00 1.83 H new ATOM 0 HD22 ASN A 14 -13.398 -5.177 2.572 1.00 1.83 H new ATOM 104 N THR A 15 -7.555 -6.367 3.751 1.00 0.62 N ATOM 105 CA THR A 15 -6.547 -7.311 4.321 1.00 0.60 C ATOM 106 C THR A 15 -5.414 -6.518 4.984 1.00 0.54 C ATOM 107 O THR A 15 -4.858 -5.608 4.394 1.00 0.52 O ATOM 108 CB THR A 15 -6.021 -8.114 3.124 1.00 0.59 C ATOM 109 OG1 THR A 15 -7.110 -8.741 2.460 1.00 0.68 O ATOM 110 CG2 THR A 15 -5.038 -9.182 3.608 1.00 0.65 C ATOM 0 H THR A 15 -7.176 -5.669 3.111 1.00 0.62 H new ATOM 0 HA THR A 15 -6.972 -7.964 5.083 1.00 0.60 H new ATOM 0 HB THR A 15 -5.511 -7.440 2.436 1.00 0.59 H new ATOM 0 HG1 THR A 15 -7.215 -8.354 1.566 1.00 0.68 H new ATOM 0 HG21 THR A 15 -4.668 -9.749 2.754 1.00 0.65 H new ATOM 0 HG22 THR A 15 -4.201 -8.703 4.116 1.00 0.65 H new ATOM 0 HG23 THR A 15 -5.544 -9.856 4.299 1.00 0.65 H new ATOM 111 N ALA A 16 -5.074 -6.853 6.206 1.00 0.54 N ATOM 112 CA ALA A 16 -3.979 -6.118 6.918 1.00 0.50 C ATOM 113 C ALA A 16 -2.654 -6.276 6.162 1.00 0.46 C ATOM 114 O ALA A 16 -2.361 -7.325 5.618 1.00 0.56 O ATOM 115 CB ALA A 16 -3.886 -6.765 8.302 1.00 0.53 C ATOM 0 H ALA A 16 -5.508 -7.605 6.742 1.00 0.54 H new ATOM 0 HA ALA A 16 -4.183 -5.049 6.985 1.00 0.50 H new ATOM 0 HB1 ALA A 16 -3.102 -6.276 8.880 1.00 0.53 H new ATOM 0 HB2 ALA A 16 -4.840 -6.657 8.819 1.00 0.53 H new ATOM 0 HB3 ALA A 16 -3.650 -7.824 8.194 1.00 0.53 H new ATOM 116 N LEU A 17 -1.858 -5.236 6.118 1.00 0.44 N ATOM 117 CA LEU A 17 -0.554 -5.316 5.390 1.00 0.44 C ATOM 118 C LEU A 17 0.591 -5.593 6.368 1.00 0.45 C ATOM 119 O LEU A 17 0.554 -5.185 7.514 1.00 0.50 O ATOM 120 CB LEU A 17 -0.367 -3.946 4.728 1.00 0.49 C ATOM 121 CG LEU A 17 -1.570 -3.621 3.834 1.00 0.56 C ATOM 122 CD1 LEU A 17 -1.532 -2.141 3.443 1.00 0.69 C ATOM 123 CD2 LEU A 17 -1.519 -4.483 2.568 1.00 0.67 C ATOM 0 H LEU A 17 -2.055 -4.335 6.555 1.00 0.44 H new ATOM 0 HA LEU A 17 -0.552 -6.124 4.658 1.00 0.44 H new ATOM 0 HB2 LEU A 17 -0.254 -3.177 5.492 1.00 0.49 H new ATOM 0 HB3 LEU A 17 0.548 -3.942 4.135 1.00 0.49 H new ATOM 0 HG LEU A 17 -2.491 -3.831 4.379 1.00 0.56 H new ATOM 0 HD11 LEU A 17 -2.387 -1.910 2.808 1.00 0.69 H new ATOM 0 HD12 LEU A 17 -1.572 -1.526 4.342 1.00 0.69 H new ATOM 0 HD13 LEU A 17 -0.610 -1.932 2.901 1.00 0.69 H new ATOM 0 HD21 LEU A 17 -2.375 -4.250 1.935 1.00 0.67 H new ATOM 0 HD22 LEU A 17 -0.598 -4.276 2.024 1.00 0.67 H new ATOM 0 HD23 LEU A 17 -1.548 -5.537 2.844 1.00 0.67 H new ATOM 124 N THR A 18 1.610 -6.280 5.919 1.00 0.47 N ATOM 125 CA THR A 18 2.772 -6.587 6.810 1.00 0.53 C ATOM 126 C THR A 18 4.087 -6.224 6.110 1.00 0.54 C ATOM 127 O THR A 18 4.115 -5.951 4.924 1.00 0.57 O ATOM 128 CB THR A 18 2.701 -8.098 7.078 1.00 0.59 C ATOM 129 OG1 THR A 18 2.575 -8.801 5.850 1.00 0.63 O ATOM 130 CG2 THR A 18 1.499 -8.410 7.973 1.00 0.66 C ATOM 0 H THR A 18 1.688 -6.644 4.969 1.00 0.47 H new ATOM 0 HA THR A 18 2.735 -6.015 7.737 1.00 0.53 H new ATOM 0 HB THR A 18 3.616 -8.413 7.580 1.00 0.59 H new ATOM 0 HG1 THR A 18 2.847 -9.734 5.978 1.00 0.63 H new ATOM 0 HG21 THR A 18 1.453 -9.483 8.160 1.00 0.66 H new ATOM 0 HG22 THR A 18 1.604 -7.881 8.920 1.00 0.66 H new ATOM 0 HG23 THR A 18 0.583 -8.089 7.477 1.00 0.66 H new ATOM 131 N LEU A 19 5.176 -6.220 6.840 1.00 0.60 N ATOM 132 CA LEU A 19 6.500 -5.879 6.229 1.00 0.64 C ATOM 133 C LEU A 19 6.890 -6.921 5.173 1.00 0.59 C ATOM 134 O LEU A 19 7.326 -6.579 4.090 1.00 0.59 O ATOM 135 CB LEU A 19 7.497 -5.905 7.388 1.00 0.75 C ATOM 136 CG LEU A 19 7.495 -4.551 8.102 1.00 0.92 C ATOM 137 CD1 LEU A 19 7.866 -4.747 9.573 1.00 1.24 C ATOM 138 CD2 LEU A 19 8.514 -3.620 7.439 1.00 1.13 C ATOM 0 H LEU A 19 5.205 -6.439 7.836 1.00 0.60 H new ATOM 0 HA LEU A 19 6.477 -4.911 5.729 1.00 0.64 H new ATOM 0 HB2 LEU A 19 7.233 -6.697 8.089 1.00 0.75 H new ATOM 0 HB3 LEU A 19 8.497 -6.129 7.015 1.00 0.75 H new ATOM 0 HG LEU A 19 6.501 -4.109 8.034 1.00 0.92 H new ATOM 0 HD11 LEU A 19 7.864 -3.782 10.080 1.00 1.24 H new ATOM 0 HD12 LEU A 19 7.140 -5.407 10.047 1.00 1.24 H new ATOM 0 HD13 LEU A 19 8.859 -5.191 9.642 1.00 1.24 H new ATOM 0 HD21 LEU A 19 8.512 -2.656 7.948 1.00 1.13 H new ATOM 0 HD22 LEU A 19 9.508 -4.063 7.505 1.00 1.13 H new ATOM 0 HD23 LEU A 19 8.249 -3.477 6.391 1.00 1.13 H new ATOM 139 N ILE A 20 6.731 -8.187 5.482 1.00 0.61 N ATOM 140 CA ILE A 20 7.086 -9.264 4.500 1.00 0.64 C ATOM 141 C ILE A 20 6.174 -9.185 3.260 1.00 0.61 C ATOM 142 O ILE A 20 6.527 -9.659 2.196 1.00 0.70 O ATOM 143 CB ILE A 20 6.868 -10.585 5.255 1.00 0.75 C ATOM 144 CG1 ILE A 20 7.879 -10.694 6.405 1.00 0.84 C ATOM 145 CG2 ILE A 20 7.062 -11.769 4.301 1.00 0.86 C ATOM 146 CD1 ILE A 20 7.166 -11.174 7.672 1.00 0.99 C ATOM 0 H ILE A 20 6.369 -8.522 6.375 1.00 0.61 H new ATOM 0 HA ILE A 20 8.110 -9.169 4.140 1.00 0.64 H new ATOM 0 HB ILE A 20 5.854 -10.603 5.654 1.00 0.75 H new ATOM 0 HG12 ILE A 20 8.675 -11.389 6.138 1.00 0.84 H new ATOM 0 HG13 ILE A 20 8.348 -9.726 6.584 1.00 0.84 H new ATOM 0 HG21 ILE A 20 6.906 -12.702 4.843 1.00 0.86 H new ATOM 0 HG22 ILE A 20 6.344 -11.699 3.484 1.00 0.86 H new ATOM 0 HG23 ILE A 20 8.074 -11.749 3.897 1.00 0.86 H new ATOM 0 HD11 ILE A 20 7.885 -11.251 8.487 1.00 0.99 H new ATOM 0 HD12 ILE A 20 6.386 -10.462 7.942 1.00 0.99 H new ATOM 0 HD13 ILE A 20 6.719 -12.151 7.490 1.00 0.99 H new ATOM 147 N MET A 21 5.011 -8.587 3.389 1.00 0.56 N ATOM 148 CA MET A 21 4.082 -8.476 2.218 1.00 0.60 C ATOM 149 C MET A 21 4.456 -7.265 1.352 1.00 0.55 C ATOM 150 O MET A 21 4.551 -7.368 0.145 1.00 0.68 O ATOM 151 CB MET A 21 2.685 -8.289 2.818 1.00 0.66 C ATOM 152 CG MET A 21 1.984 -9.644 2.923 1.00 1.06 C ATOM 153 SD MET A 21 0.229 -9.389 3.289 1.00 1.45 S ATOM 154 CE MET A 21 0.068 -10.668 4.558 1.00 1.45 C ATOM 0 H MET A 21 4.666 -8.172 4.254 1.00 0.56 H new ATOM 0 HA MET A 21 4.133 -9.356 1.578 1.00 0.60 H new ATOM 0 HB2 MET A 21 2.760 -7.830 3.804 1.00 0.66 H new ATOM 0 HB3 MET A 21 2.099 -7.613 2.196 1.00 0.66 H new ATOM 0 HG2 MET A 21 2.095 -10.196 1.990 1.00 1.06 H new ATOM 0 HG3 MET A 21 2.446 -10.245 3.706 1.00 1.06 H new ATOM 0 HE1 MET A 21 -0.988 -10.846 4.764 1.00 1.45 H new ATOM 0 HE2 MET A 21 0.529 -11.590 4.205 1.00 1.45 H new ATOM 0 HE3 MET A 21 0.565 -10.340 5.471 1.00 1.45 H new ATOM 155 N MET A 22 4.666 -6.122 1.961 1.00 0.62 N ATOM 156 CA MET A 22 5.031 -4.904 1.173 1.00 0.68 C ATOM 157 C MET A 22 6.505 -4.966 0.753 1.00 0.58 C ATOM 158 O MET A 22 7.388 -5.117 1.578 1.00 0.84 O ATOM 159 CB MET A 22 4.784 -3.722 2.117 1.00 1.06 C ATOM 160 CG MET A 22 3.300 -3.346 2.085 1.00 1.77 C ATOM 161 SD MET A 22 3.020 -1.898 3.134 1.00 2.76 S ATOM 162 CE MET A 22 2.917 -2.780 4.710 1.00 3.69 C ATOM 0 H MET A 22 4.600 -5.981 2.969 1.00 0.62 H new ATOM 0 HA MET A 22 4.446 -4.816 0.258 1.00 0.68 H new ATOM 0 HB2 MET A 22 5.082 -3.985 3.132 1.00 1.06 H new ATOM 0 HB3 MET A 22 5.393 -2.869 1.817 1.00 1.06 H new ATOM 0 HG2 MET A 22 2.990 -3.132 1.062 1.00 1.77 H new ATOM 0 HG3 MET A 22 2.695 -4.183 2.433 1.00 1.77 H new ATOM 0 HE1 MET A 22 2.139 -2.331 5.328 1.00 3.69 H new ATOM 0 HE2 MET A 22 2.676 -3.827 4.526 1.00 3.69 H new ATOM 0 HE3 MET A 22 3.874 -2.714 5.227 1.00 3.69 H new ATOM 163 N LYS A 23 6.769 -4.856 -0.526 1.00 0.50 N ATOM 164 CA LYS A 23 8.181 -4.912 -1.018 1.00 0.70 C ATOM 165 C LYS A 23 8.600 -3.553 -1.589 1.00 0.59 C ATOM 166 O LYS A 23 7.953 -3.016 -2.469 1.00 0.62 O ATOM 167 CB LYS A 23 8.178 -5.975 -2.122 1.00 1.01 C ATOM 168 CG LYS A 23 8.765 -7.282 -1.583 1.00 1.40 C ATOM 169 CD LYS A 23 9.494 -8.015 -2.712 1.00 1.74 C ATOM 170 CE LYS A 23 10.230 -9.231 -2.142 1.00 2.15 C ATOM 171 NZ LYS A 23 11.043 -9.760 -3.274 1.00 2.50 N ATOM 0 H LYS A 23 6.065 -4.729 -1.253 1.00 0.50 H new ATOM 0 HA LYS A 23 8.883 -5.153 -0.220 1.00 0.70 H new ATOM 0 HB2 LYS A 23 7.161 -6.141 -2.477 1.00 1.01 H new ATOM 0 HB3 LYS A 23 8.761 -5.628 -2.975 1.00 1.01 H new ATOM 0 HG2 LYS A 23 9.454 -7.074 -0.765 1.00 1.40 H new ATOM 0 HG3 LYS A 23 7.972 -7.911 -1.179 1.00 1.40 H new ATOM 0 HD2 LYS A 23 8.781 -8.332 -3.473 1.00 1.74 H new ATOM 0 HD3 LYS A 23 10.202 -7.343 -3.198 1.00 1.74 H new ATOM 0 HE2 LYS A 23 10.863 -8.950 -1.300 1.00 2.15 H new ATOM 0 HE3 LYS A 23 9.528 -9.981 -1.777 1.00 2.15 H new ATOM 0 HZ1 LYS A 23 11.576 -10.595 -2.958 1.00 2.50 H new ATOM 0 HZ2 LYS A 23 10.414 -10.027 -4.058 1.00 2.50 H new ATOM 0 HZ3 LYS A 23 11.707 -9.028 -3.596 1.00 2.50 H new ATOM 172 N ALA A 24 9.684 -2.999 -1.100 1.00 0.63 N ATOM 173 CA ALA A 24 10.153 -1.677 -1.618 1.00 0.61 C ATOM 174 C ALA A 24 10.969 -1.882 -2.904 1.00 0.62 C ATOM 175 O ALA A 24 12.188 -1.883 -2.888 1.00 0.76 O ATOM 176 CB ALA A 24 11.023 -1.089 -0.501 1.00 0.80 C ATOM 0 H ALA A 24 10.263 -3.406 -0.365 1.00 0.63 H new ATOM 0 HA ALA A 24 9.328 -1.010 -1.868 1.00 0.61 H new ATOM 0 HB1 ALA A 24 11.404 -0.116 -0.810 1.00 0.80 H new ATOM 0 HB2 ALA A 24 10.425 -0.974 0.403 1.00 0.80 H new ATOM 0 HB3 ALA A 24 11.859 -1.759 -0.301 1.00 0.80 H new ATOM 177 N GLU A 25 10.298 -2.061 -4.016 1.00 0.56 N ATOM 178 CA GLU A 25 11.013 -2.275 -5.312 1.00 0.66 C ATOM 179 C GLU A 25 10.774 -1.091 -6.257 1.00 0.62 C ATOM 180 O GLU A 25 9.719 -0.484 -6.249 1.00 0.55 O ATOM 181 CB GLU A 25 10.404 -3.552 -5.896 1.00 0.77 C ATOM 182 CG GLU A 25 11.516 -4.452 -6.440 1.00 1.00 C ATOM 183 CD GLU A 25 10.899 -5.705 -7.067 1.00 1.22 C ATOM 184 OE1 GLU A 25 10.705 -6.671 -6.345 1.00 1.59 O ATOM 185 OE2 GLU A 25 10.632 -5.678 -8.257 1.00 1.85 O ATOM 0 H GLU A 25 9.280 -2.068 -4.081 1.00 0.56 H new ATOM 0 HA GLU A 25 12.091 -2.359 -5.175 1.00 0.66 H new ATOM 0 HB2 GLU A 25 9.838 -4.080 -5.129 1.00 0.77 H new ATOM 0 HB3 GLU A 25 9.704 -3.301 -6.693 1.00 0.77 H new ATOM 0 HG2 GLU A 25 12.104 -3.913 -7.183 1.00 1.00 H new ATOM 0 HG3 GLU A 25 12.197 -4.732 -5.637 1.00 1.00 H new ATOM 186 N VAL A 26 11.746 -0.768 -7.077 1.00 0.71 N ATOM 187 CA VAL A 26 11.581 0.372 -8.033 1.00 0.72 C ATOM 188 C VAL A 26 10.883 -0.127 -9.308 1.00 0.79 C ATOM 189 O VAL A 26 11.522 -0.470 -10.287 1.00 0.90 O ATOM 190 CB VAL A 26 13.006 0.864 -8.339 1.00 0.82 C ATOM 191 CG1 VAL A 26 12.947 2.063 -9.291 1.00 0.88 C ATOM 192 CG2 VAL A 26 13.698 1.291 -7.040 1.00 0.85 C ATOM 0 H VAL A 26 12.646 -1.245 -7.125 1.00 0.71 H new ATOM 0 HA VAL A 26 10.970 1.176 -7.624 1.00 0.72 H new ATOM 0 HB VAL A 26 13.567 0.053 -8.804 1.00 0.82 H new ATOM 0 HG11 VAL A 26 13.959 2.408 -9.505 1.00 0.88 H new ATOM 0 HG12 VAL A 26 12.461 1.766 -10.220 1.00 0.88 H new ATOM 0 HG13 VAL A 26 12.379 2.869 -8.826 1.00 0.88 H new ATOM 0 HG21 VAL A 26 14.707 1.639 -7.262 1.00 0.85 H new ATOM 0 HG22 VAL A 26 13.131 2.097 -6.574 1.00 0.85 H new ATOM 0 HG23 VAL A 26 13.749 0.442 -6.359 1.00 0.85 H new ATOM 193 N VAL A 27 9.572 -0.175 -9.294 1.00 0.80 N ATOM 194 CA VAL A 27 8.816 -0.656 -10.497 1.00 0.92 C ATOM 195 C VAL A 27 7.591 0.234 -10.750 1.00 0.94 C ATOM 196 O VAL A 27 7.134 0.944 -9.873 1.00 0.92 O ATOM 197 CB VAL A 27 8.380 -2.095 -10.171 1.00 1.03 C ATOM 198 CG1 VAL A 27 9.606 -3.012 -10.137 1.00 1.12 C ATOM 199 CG2 VAL A 27 7.673 -2.142 -8.809 1.00 1.00 C ATOM 0 H VAL A 27 8.991 0.098 -8.501 1.00 0.80 H new ATOM 0 HA VAL A 27 9.429 -0.619 -11.398 1.00 0.92 H new ATOM 0 HB VAL A 27 7.690 -2.434 -10.943 1.00 1.03 H new ATOM 0 HG11 VAL A 27 9.293 -4.030 -9.906 1.00 1.12 H new ATOM 0 HG12 VAL A 27 10.099 -2.996 -11.109 1.00 1.12 H new ATOM 0 HG13 VAL A 27 10.300 -2.663 -9.372 1.00 1.12 H new ATOM 0 HG21 VAL A 27 7.370 -3.166 -8.591 1.00 1.00 H new ATOM 0 HG22 VAL A 27 8.354 -1.793 -8.033 1.00 1.00 H new ATOM 0 HG23 VAL A 27 6.792 -1.501 -8.834 1.00 1.00 H new ATOM 200 N THR A 28 7.058 0.195 -11.948 1.00 1.06 N ATOM 201 CA THR A 28 5.861 1.033 -12.272 1.00 1.16 C ATOM 202 C THR A 28 4.578 0.187 -12.200 1.00 1.27 C ATOM 203 O THR A 28 4.621 -1.013 -12.396 1.00 1.33 O ATOM 204 CB THR A 28 6.092 1.542 -13.703 1.00 1.28 C ATOM 205 OG1 THR A 28 6.445 0.455 -14.550 1.00 1.91 O ATOM 206 CG2 THR A 28 7.218 2.580 -13.705 1.00 1.85 C ATOM 0 H THR A 28 7.401 -0.382 -12.716 1.00 1.06 H new ATOM 0 HA THR A 28 5.738 1.855 -11.567 1.00 1.16 H new ATOM 0 HB THR A 28 5.175 2.002 -14.071 1.00 1.28 H new ATOM 0 HG1 THR A 28 6.590 0.784 -15.462 1.00 1.91 H new ATOM 0 HG21 THR A 28 7.380 2.939 -14.721 1.00 1.85 H new ATOM 0 HG22 THR A 28 6.942 3.417 -13.064 1.00 1.85 H new ATOM 0 HG23 THR A 28 8.135 2.123 -13.331 1.00 1.85 H new ATOM 207 N PRO A 29 3.467 0.841 -11.923 1.00 1.34 N ATOM 208 CA PRO A 29 3.460 2.311 -11.691 1.00 1.34 C ATOM 209 C PRO A 29 3.991 2.651 -10.294 1.00 1.16 C ATOM 210 O PRO A 29 4.082 1.800 -9.426 1.00 1.05 O ATOM 211 CB PRO A 29 1.989 2.689 -11.811 1.00 1.52 C ATOM 212 CG PRO A 29 1.230 1.440 -11.484 1.00 1.54 C ATOM 213 CD PRO A 29 2.120 0.265 -11.809 1.00 1.48 C ATOM 0 HA PRO A 29 4.097 2.848 -12.393 1.00 1.34 H new ATOM 0 HB2 PRO A 29 1.733 3.496 -11.124 1.00 1.52 H new ATOM 0 HB3 PRO A 29 1.754 3.040 -12.816 1.00 1.52 H new ATOM 0 HG2 PRO A 29 0.949 1.428 -10.431 1.00 1.54 H new ATOM 0 HG3 PRO A 29 0.306 1.391 -12.061 1.00 1.54 H new ATOM 0 HD2 PRO A 29 2.078 -0.493 -11.027 1.00 1.48 H new ATOM 0 HD3 PRO A 29 1.816 -0.218 -12.737 1.00 1.48 H new ATOM 214 N MET A 30 4.336 3.895 -10.076 1.00 1.20 N ATOM 215 CA MET A 30 4.861 4.312 -8.739 1.00 1.09 C ATOM 216 C MET A 30 3.697 4.582 -7.778 1.00 1.13 C ATOM 217 O MET A 30 3.079 5.631 -7.816 1.00 1.74 O ATOM 218 CB MET A 30 5.662 5.592 -8.998 1.00 1.22 C ATOM 219 CG MET A 30 7.061 5.228 -9.505 1.00 1.83 C ATOM 220 SD MET A 30 8.159 6.656 -9.328 1.00 2.40 S ATOM 221 CE MET A 30 7.707 7.485 -10.872 1.00 3.12 C ATOM 0 H MET A 30 4.277 4.642 -10.768 1.00 1.20 H new ATOM 0 HA MET A 30 5.479 3.541 -8.280 1.00 1.09 H new ATOM 0 HB2 MET A 30 5.148 6.213 -9.732 1.00 1.22 H new ATOM 0 HB3 MET A 30 5.737 6.178 -8.082 1.00 1.22 H new ATOM 0 HG2 MET A 30 7.454 4.382 -8.942 1.00 1.83 H new ATOM 0 HG3 MET A 30 7.012 4.921 -10.550 1.00 1.83 H new ATOM 0 HE1 MET A 30 8.277 8.409 -10.969 1.00 3.12 H new ATOM 0 HE2 MET A 30 7.929 6.831 -11.715 1.00 3.12 H new ATOM 0 HE3 MET A 30 6.642 7.715 -10.863 1.00 3.12 H new ATOM 222 N GLY A 31 3.397 3.639 -6.919 1.00 0.88 N ATOM 223 CA GLY A 31 2.276 3.824 -5.950 1.00 0.93 C ATOM 224 C GLY A 31 2.784 4.569 -4.714 1.00 0.93 C ATOM 225 O GLY A 31 3.288 5.672 -4.810 1.00 1.07 O ATOM 0 H GLY A 31 3.884 2.745 -6.848 1.00 0.88 H new ATOM 0 HA2 GLY A 31 1.466 4.384 -6.418 1.00 0.93 H new ATOM 0 HA3 GLY A 31 1.868 2.855 -5.661 1.00 0.93 H new ATOM 226 N ILE A 32 2.658 3.973 -3.554 1.00 0.89 N ATOM 227 CA ILE A 32 3.136 4.646 -2.307 1.00 0.94 C ATOM 228 C ILE A 32 4.597 4.256 -2.039 1.00 0.82 C ATOM 229 O ILE A 32 4.955 3.100 -2.161 1.00 0.79 O ATOM 230 CB ILE A 32 2.221 4.139 -1.182 1.00 1.06 C ATOM 231 CG1 ILE A 32 0.751 4.392 -1.562 1.00 1.16 C ATOM 232 CG2 ILE A 32 2.563 4.878 0.120 1.00 1.19 C ATOM 233 CD1 ILE A 32 -0.140 4.361 -0.312 1.00 1.30 C ATOM 0 H ILE A 32 2.245 3.050 -3.417 1.00 0.89 H new ATOM 0 HA ILE A 32 3.098 5.733 -2.384 1.00 0.94 H new ATOM 0 HB ILE A 32 2.371 3.069 -1.038 1.00 1.06 H new ATOM 0 HG12 ILE A 32 0.658 5.358 -2.058 1.00 1.16 H new ATOM 0 HG13 ILE A 32 0.417 3.636 -2.273 1.00 1.16 H new ATOM 0 HG21 ILE A 32 1.916 4.521 0.921 1.00 1.19 H new ATOM 0 HG22 ILE A 32 3.604 4.689 0.383 1.00 1.19 H new ATOM 0 HG23 ILE A 32 2.412 5.949 -0.019 1.00 1.19 H new ATOM 0 HD11 ILE A 32 -1.176 4.542 -0.599 1.00 1.30 H new ATOM 0 HD12 ILE A 32 -0.061 3.385 0.167 1.00 1.30 H new ATOM 0 HD13 ILE A 32 0.184 5.134 0.385 1.00 1.30 H new ATOM 234 N PRO A 33 5.397 5.235 -1.678 1.00 0.82 N ATOM 235 CA PRO A 33 6.835 4.979 -1.392 1.00 0.78 C ATOM 236 C PRO A 33 6.994 4.186 -0.086 1.00 0.85 C ATOM 237 O PRO A 33 6.031 3.918 0.609 1.00 1.42 O ATOM 238 CB PRO A 33 7.430 6.381 -1.260 1.00 0.89 C ATOM 239 CG PRO A 33 6.279 7.252 -0.874 1.00 0.99 C ATOM 240 CD PRO A 33 5.048 6.653 -1.501 1.00 0.94 C ATOM 0 HA PRO A 33 7.326 4.385 -2.163 1.00 0.78 H new ATOM 0 HB2 PRO A 33 8.216 6.407 -0.505 1.00 0.89 H new ATOM 0 HB3 PRO A 33 7.878 6.710 -2.198 1.00 0.89 H new ATOM 0 HG2 PRO A 33 6.177 7.299 0.210 1.00 0.99 H new ATOM 0 HG3 PRO A 33 6.433 8.273 -1.224 1.00 0.99 H new ATOM 0 HD2 PRO A 33 4.174 6.773 -0.860 1.00 0.94 H new ATOM 0 HD3 PRO A 33 4.813 7.129 -2.453 1.00 0.94 H new ATOM 241 N ALA A 34 8.205 3.813 0.252 1.00 0.65 N ATOM 242 CA ALA A 34 8.431 3.037 1.513 1.00 0.71 C ATOM 243 C ALA A 34 8.652 3.981 2.711 1.00 0.79 C ATOM 244 O ALA A 34 9.404 3.674 3.620 1.00 0.90 O ATOM 245 CB ALA A 34 9.685 2.200 1.242 1.00 0.81 C ATOM 0 H ALA A 34 9.046 4.012 -0.290 1.00 0.65 H new ATOM 0 HA ALA A 34 7.571 2.418 1.769 1.00 0.71 H new ATOM 0 HB1 ALA A 34 9.919 1.600 2.121 1.00 0.81 H new ATOM 0 HB2 ALA A 34 9.507 1.543 0.391 1.00 0.81 H new ATOM 0 HB3 ALA A 34 10.523 2.861 1.020 1.00 0.81 H new ATOM 246 N GLU A 35 7.997 5.122 2.724 1.00 0.87 N ATOM 247 CA GLU A 35 8.159 6.080 3.863 1.00 1.03 C ATOM 248 C GLU A 35 7.356 5.604 5.083 1.00 0.86 C ATOM 249 O GLU A 35 7.866 5.552 6.186 1.00 0.83 O ATOM 250 CB GLU A 35 7.614 7.414 3.344 1.00 1.26 C ATOM 251 CG GLU A 35 8.307 8.572 4.068 1.00 1.79 C ATOM 252 CD GLU A 35 7.805 9.903 3.502 1.00 2.43 C ATOM 253 OE1 GLU A 35 6.806 10.399 4.000 1.00 3.00 O ATOM 254 OE2 GLU A 35 8.426 10.404 2.579 1.00 2.98 O ATOM 0 H GLU A 35 7.357 5.429 1.992 1.00 0.87 H new ATOM 0 HA GLU A 35 9.197 6.163 4.184 1.00 1.03 H new ATOM 0 HB2 GLU A 35 7.781 7.493 2.270 1.00 1.26 H new ATOM 0 HB3 GLU A 35 6.537 7.465 3.504 1.00 1.26 H new ATOM 0 HG2 GLU A 35 8.103 8.520 5.138 1.00 1.79 H new ATOM 0 HG3 GLU A 35 9.387 8.497 3.945 1.00 1.79 H new ATOM 255 N GLU A 36 6.104 5.257 4.887 1.00 0.85 N ATOM 256 CA GLU A 36 5.258 4.784 6.028 1.00 0.78 C ATOM 257 C GLU A 36 5.141 3.249 6.016 1.00 0.72 C ATOM 258 O GLU A 36 4.117 2.704 6.371 1.00 0.75 O ATOM 259 CB GLU A 36 3.880 5.423 5.796 1.00 0.95 C ATOM 260 CG GLU A 36 3.927 6.912 6.151 1.00 1.49 C ATOM 261 CD GLU A 36 2.579 7.335 6.747 1.00 2.09 C ATOM 262 OE1 GLU A 36 2.415 7.197 7.949 1.00 2.47 O ATOM 263 OE2 GLU A 36 1.734 7.789 5.991 1.00 2.78 O ATOM 0 H GLU A 36 5.632 5.282 3.983 1.00 0.85 H new ATOM 0 HA GLU A 36 5.685 5.062 6.992 1.00 0.78 H new ATOM 0 HB2 GLU A 36 3.583 5.298 4.755 1.00 0.95 H new ATOM 0 HB3 GLU A 36 3.129 4.919 6.405 1.00 0.95 H new ATOM 0 HG2 GLU A 36 4.729 7.102 6.865 1.00 1.49 H new ATOM 0 HG3 GLU A 36 4.146 7.503 5.261 1.00 1.49 H new ATOM 264 N ILE A 37 6.179 2.548 5.617 1.00 0.76 N ATOM 265 CA ILE A 37 6.116 1.047 5.587 1.00 0.77 C ATOM 266 C ILE A 37 5.646 0.489 6.950 1.00 0.66 C ATOM 267 O ILE A 37 4.681 -0.254 6.999 1.00 0.64 O ATOM 268 CB ILE A 37 7.548 0.589 5.245 1.00 0.92 C ATOM 269 CG1 ILE A 37 7.726 0.566 3.719 1.00 1.19 C ATOM 270 CG2 ILE A 37 7.818 -0.813 5.809 1.00 1.07 C ATOM 271 CD1 ILE A 37 6.784 -0.468 3.087 1.00 1.16 C ATOM 0 H ILE A 37 7.066 2.949 5.311 1.00 0.76 H new ATOM 0 HA ILE A 37 5.397 0.680 4.854 1.00 0.77 H new ATOM 0 HB ILE A 37 8.254 1.289 5.693 1.00 0.92 H new ATOM 0 HG12 ILE A 37 7.521 1.554 3.307 1.00 1.19 H new ATOM 0 HG13 ILE A 37 8.760 0.326 3.470 1.00 1.19 H new ATOM 0 HG21 ILE A 37 8.834 -1.117 5.557 1.00 1.07 H new ATOM 0 HG22 ILE A 37 7.703 -0.798 6.893 1.00 1.07 H new ATOM 0 HG23 ILE A 37 7.110 -1.521 5.379 1.00 1.07 H new ATOM 0 HD11 ILE A 37 6.922 -0.473 2.006 1.00 1.16 H new ATOM 0 HD12 ILE A 37 7.009 -1.457 3.486 1.00 1.16 H new ATOM 0 HD13 ILE A 37 5.751 -0.210 3.320 1.00 1.16 H new ATOM 272 N PRO A 38 6.329 0.868 8.014 1.00 0.69 N ATOM 273 CA PRO A 38 5.944 0.389 9.370 1.00 0.71 C ATOM 274 C PRO A 38 4.632 1.048 9.837 1.00 0.71 C ATOM 275 O PRO A 38 3.940 0.518 10.686 1.00 0.82 O ATOM 276 CB PRO A 38 7.115 0.816 10.251 1.00 0.86 C ATOM 277 CG PRO A 38 7.738 1.972 9.537 1.00 0.87 C ATOM 278 CD PRO A 38 7.499 1.761 8.066 1.00 0.82 C ATOM 0 HA PRO A 38 5.762 -0.685 9.402 1.00 0.71 H new ATOM 0 HB2 PRO A 38 6.775 1.104 11.246 1.00 0.86 H new ATOM 0 HB3 PRO A 38 7.828 0.002 10.381 1.00 0.86 H new ATOM 0 HG2 PRO A 38 7.298 2.913 9.868 1.00 0.87 H new ATOM 0 HG3 PRO A 38 8.806 2.027 9.750 1.00 0.87 H new ATOM 0 HD2 PRO A 38 7.303 2.704 7.555 1.00 0.82 H new ATOM 0 HD3 PRO A 38 8.366 1.310 7.582 1.00 0.82 H new ATOM 279 N ASN A 39 4.285 2.191 9.287 1.00 0.68 N ATOM 280 CA ASN A 39 3.019 2.874 9.701 1.00 0.79 C ATOM 281 C ASN A 39 1.824 2.257 8.964 1.00 0.81 C ATOM 282 O ASN A 39 0.850 1.859 9.577 1.00 0.97 O ATOM 283 CB ASN A 39 3.204 4.342 9.303 1.00 0.87 C ATOM 284 CG ASN A 39 3.038 5.236 10.536 1.00 1.23 C ATOM 285 OD1 ASN A 39 2.020 5.195 11.199 1.00 1.68 O ATOM 286 ND2 ASN A 39 4.002 6.050 10.874 1.00 1.92 N ATOM 0 H ASN A 39 4.824 2.678 8.571 1.00 0.68 H new ATOM 0 HA ASN A 39 2.822 2.770 10.768 1.00 0.79 H new ATOM 0 HB2 ASN A 39 4.192 4.489 8.866 1.00 0.87 H new ATOM 0 HB3 ASN A 39 2.474 4.617 8.541 1.00 0.87 H new ATOM 0 HD21 ASN A 39 3.900 6.650 11.693 1.00 1.92 H new ATOM 0 HD22 ASN A 39 4.857 6.086 10.319 1.00 1.92 H new ATOM 287 N LEU A 40 1.897 2.168 7.654 1.00 0.77 N ATOM 288 CA LEU A 40 0.771 1.569 6.866 1.00 0.91 C ATOM 289 C LEU A 40 0.562 0.104 7.271 1.00 0.70 C ATOM 290 O LEU A 40 -0.531 -0.417 7.172 1.00 0.66 O ATOM 291 CB LEU A 40 1.196 1.652 5.388 1.00 1.15 C ATOM 292 CG LEU A 40 1.359 3.115 4.925 1.00 1.52 C ATOM 293 CD1 LEU A 40 0.931 3.232 3.462 1.00 1.97 C ATOM 294 CD2 LEU A 40 0.490 4.056 5.765 1.00 2.36 C ATOM 0 H LEU A 40 2.690 2.485 7.097 1.00 0.77 H new ATOM 0 HA LEU A 40 -0.166 2.096 7.045 1.00 0.91 H new ATOM 0 HB2 LEU A 40 2.136 1.119 5.249 1.00 1.15 H new ATOM 0 HB3 LEU A 40 0.452 1.154 4.766 1.00 1.15 H new ATOM 0 HG LEU A 40 2.405 3.397 5.044 1.00 1.52 H new ATOM 0 HD11 LEU A 40 1.045 4.264 3.131 1.00 1.97 H new ATOM 0 HD12 LEU A 40 1.555 2.583 2.847 1.00 1.97 H new ATOM 0 HD13 LEU A 40 -0.112 2.932 3.363 1.00 1.97 H new ATOM 0 HD21 LEU A 40 0.623 5.081 5.418 1.00 2.36 H new ATOM 0 HD22 LEU A 40 -0.557 3.772 5.663 1.00 2.36 H new ATOM 0 HD23 LEU A 40 0.785 3.986 6.812 1.00 2.36 H new ATOM 295 N VAL A 41 1.601 -0.563 7.727 1.00 0.63 N ATOM 296 CA VAL A 41 1.457 -1.993 8.142 1.00 0.52 C ATOM 297 C VAL A 41 0.330 -2.137 9.175 1.00 0.50 C ATOM 298 O VAL A 41 0.212 -1.349 10.097 1.00 0.61 O ATOM 299 CB VAL A 41 2.829 -2.386 8.727 1.00 0.55 C ATOM 300 CG1 VAL A 41 2.675 -3.070 10.093 1.00 0.58 C ATOM 301 CG2 VAL A 41 3.510 -3.351 7.762 1.00 0.66 C ATOM 0 H VAL A 41 2.539 -0.176 7.828 1.00 0.63 H new ATOM 0 HA VAL A 41 1.187 -2.645 7.311 1.00 0.52 H new ATOM 0 HB VAL A 41 3.425 -1.483 8.861 1.00 0.55 H new ATOM 0 HG11 VAL A 41 3.659 -3.335 10.480 1.00 0.58 H new ATOM 0 HG12 VAL A 41 2.183 -2.389 10.788 1.00 0.58 H new ATOM 0 HG13 VAL A 41 2.073 -3.972 9.982 1.00 0.58 H new ATOM 0 HG21 VAL A 41 4.483 -3.639 8.161 1.00 0.66 H new ATOM 0 HG22 VAL A 41 2.891 -4.240 7.639 1.00 0.66 H new ATOM 0 HG23 VAL A 41 3.644 -2.865 6.796 1.00 0.66 H new ATOM 302 N GLY A 42 -0.493 -3.142 9.018 1.00 0.55 N ATOM 303 CA GLY A 42 -1.617 -3.359 9.978 1.00 0.69 C ATOM 304 C GLY A 42 -2.941 -2.873 9.373 1.00 0.68 C ATOM 305 O GLY A 42 -3.959 -3.529 9.499 1.00 0.78 O ATOM 0 H GLY A 42 -0.434 -3.825 8.263 1.00 0.55 H new ATOM 0 HA2 GLY A 42 -1.691 -4.418 10.227 1.00 0.69 H new ATOM 0 HA3 GLY A 42 -1.417 -2.826 10.907 1.00 0.69 H new ATOM 306 N MET A 43 -2.944 -1.726 8.727 1.00 0.64 N ATOM 307 CA MET A 43 -4.216 -1.203 8.127 1.00 0.68 C ATOM 308 C MET A 43 -4.652 -2.068 6.933 1.00 0.60 C ATOM 309 O MET A 43 -3.850 -2.752 6.322 1.00 0.57 O ATOM 310 CB MET A 43 -3.910 0.244 7.698 1.00 0.79 C ATOM 311 CG MET A 43 -3.145 0.273 6.368 1.00 1.59 C ATOM 312 SD MET A 43 -4.208 0.954 5.071 1.00 2.12 S ATOM 313 CE MET A 43 -4.008 2.700 5.503 1.00 2.48 C ATOM 0 H MET A 43 -2.125 -1.134 8.591 1.00 0.64 H new ATOM 0 HA MET A 43 -5.042 -1.234 8.837 1.00 0.68 H new ATOM 0 HB2 MET A 43 -4.841 0.802 7.598 1.00 0.79 H new ATOM 0 HB3 MET A 43 -3.322 0.740 8.471 1.00 0.79 H new ATOM 0 HG2 MET A 43 -2.244 0.878 6.468 1.00 1.59 H new ATOM 0 HG3 MET A 43 -2.825 -0.734 6.099 1.00 1.59 H new ATOM 0 HE1 MET A 43 -4.912 3.247 5.235 1.00 2.48 H new ATOM 0 HE2 MET A 43 -3.833 2.792 6.575 1.00 2.48 H new ATOM 0 HE3 MET A 43 -3.159 3.114 4.960 1.00 2.48 H new ATOM 314 N GLN A 44 -5.923 -2.046 6.609 1.00 0.65 N ATOM 315 CA GLN A 44 -6.427 -2.868 5.464 1.00 0.62 C ATOM 316 C GLN A 44 -6.784 -1.972 4.270 1.00 0.63 C ATOM 317 O GLN A 44 -6.870 -0.763 4.392 1.00 0.80 O ATOM 318 CB GLN A 44 -7.681 -3.570 5.995 1.00 0.68 C ATOM 319 CG GLN A 44 -7.322 -4.431 7.211 1.00 0.71 C ATOM 320 CD GLN A 44 -8.275 -5.627 7.299 1.00 0.98 C ATOM 321 OE1 GLN A 44 -7.841 -6.761 7.339 1.00 1.56 O ATOM 322 NE2 GLN A 44 -9.565 -5.423 7.334 1.00 1.56 N ATOM 0 H GLN A 44 -6.634 -1.494 7.089 1.00 0.65 H new ATOM 0 HA GLN A 44 -5.677 -3.577 5.114 1.00 0.62 H new ATOM 0 HB2 GLN A 44 -8.433 -2.831 6.271 1.00 0.68 H new ATOM 0 HB3 GLN A 44 -8.118 -4.192 5.214 1.00 0.68 H new ATOM 0 HG2 GLN A 44 -6.292 -4.780 7.130 1.00 0.71 H new ATOM 0 HG3 GLN A 44 -7.386 -3.835 8.122 1.00 0.71 H new ATOM 0 HE21 GLN A 44 -9.932 -4.472 7.301 1.00 1.56 H new ATOM 0 HE22 GLN A 44 -10.205 -6.215 7.395 1.00 1.56 H new ATOM 323 N VAL A 45 -6.994 -2.564 3.119 1.00 0.58 N ATOM 324 CA VAL A 45 -7.350 -1.758 1.902 1.00 0.60 C ATOM 325 C VAL A 45 -8.827 -1.958 1.533 1.00 0.61 C ATOM 326 O VAL A 45 -9.510 -2.798 2.086 1.00 0.64 O ATOM 327 CB VAL A 45 -6.439 -2.269 0.771 1.00 0.61 C ATOM 328 CG1 VAL A 45 -4.973 -2.022 1.135 1.00 0.66 C ATOM 329 CG2 VAL A 45 -6.662 -3.772 0.546 1.00 0.60 C ATOM 0 H VAL A 45 -6.935 -3.571 2.967 1.00 0.58 H new ATOM 0 HA VAL A 45 -7.208 -0.692 2.078 1.00 0.60 H new ATOM 0 HB VAL A 45 -6.684 -1.731 -0.145 1.00 0.61 H new ATOM 0 HG11 VAL A 45 -4.332 -2.385 0.331 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -4.808 -0.954 1.276 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -4.733 -2.551 2.057 1.00 0.66 H new ATOM 0 HG21 VAL A 45 -6.012 -4.120 -0.256 1.00 0.60 H new ATOM 0 HG22 VAL A 45 -6.431 -4.315 1.462 1.00 0.60 H new ATOM 0 HG23 VAL A 45 -7.702 -3.949 0.272 1.00 0.60 H new ATOM 330 N ASN A 46 -9.316 -1.189 0.594 1.00 0.65 N ATOM 331 CA ASN A 46 -10.745 -1.321 0.164 1.00 0.70 C ATOM 332 C ASN A 46 -10.850 -2.113 -1.147 1.00 0.67 C ATOM 333 O ASN A 46 -11.895 -2.646 -1.470 1.00 0.73 O ATOM 334 CB ASN A 46 -11.228 0.115 -0.047 1.00 0.80 C ATOM 335 CG ASN A 46 -12.577 0.321 0.656 1.00 1.03 C ATOM 336 OD1 ASN A 46 -12.827 -0.242 1.703 1.00 1.52 O ATOM 337 ND2 ASN A 46 -13.464 1.113 0.117 1.00 1.68 N ATOM 0 H ASN A 46 -8.785 -0.470 0.102 1.00 0.65 H new ATOM 0 HA ASN A 46 -11.342 -1.856 0.902 1.00 0.70 H new ATOM 0 HB2 ASN A 46 -10.492 0.817 0.346 1.00 0.80 H new ATOM 0 HB3 ASN A 46 -11.328 0.321 -1.113 1.00 0.80 H new ATOM 0 HD21 ASN A 46 -14.364 1.258 0.575 1.00 1.68 H new ATOM 0 HD22 ASN A 46 -13.257 1.587 -0.762 1.00 1.68 H new ATOM 338 N ARG A 47 -9.782 -2.186 -1.908 1.00 0.65 N ATOM 339 CA ARG A 47 -9.824 -2.938 -3.203 1.00 0.68 C ATOM 340 C ARG A 47 -9.000 -4.227 -3.105 1.00 0.60 C ATOM 341 O ARG A 47 -8.325 -4.474 -2.122 1.00 0.58 O ATOM 342 CB ARG A 47 -9.206 -1.991 -4.236 1.00 0.77 C ATOM 343 CG ARG A 47 -10.046 -0.716 -4.342 1.00 1.11 C ATOM 344 CD ARG A 47 -9.738 -0.008 -5.665 1.00 1.45 C ATOM 345 NE ARG A 47 -10.662 1.160 -5.701 1.00 2.01 N ATOM 346 CZ ARG A 47 -11.790 1.082 -6.357 1.00 2.55 C ATOM 347 NH1 ARG A 47 -12.867 0.648 -5.753 1.00 3.13 N ATOM 348 NH2 ARG A 47 -11.840 1.436 -7.615 1.00 3.10 N ATOM 0 H ARG A 47 -8.883 -1.757 -1.687 1.00 0.65 H new ATOM 0 HA ARG A 47 -10.840 -3.231 -3.469 1.00 0.68 H new ATOM 0 HB2 ARG A 47 -8.185 -1.741 -3.948 1.00 0.77 H new ATOM 0 HB3 ARG A 47 -9.152 -2.483 -5.207 1.00 0.77 H new ATOM 0 HG2 ARG A 47 -11.107 -0.961 -4.287 1.00 1.11 H new ATOM 0 HG3 ARG A 47 -9.828 -0.054 -3.504 1.00 1.11 H new ATOM 0 HD2 ARG A 47 -8.697 0.311 -5.709 1.00 1.45 H new ATOM 0 HD3 ARG A 47 -9.905 -0.670 -6.515 1.00 1.45 H new ATOM 0 HE ARG A 47 -10.414 2.021 -5.214 1.00 2.01 H new ATOM 0 HH11 ARG A 47 -12.825 0.371 -4.772 1.00 3.13 H new ATOM 0 HH12 ARG A 47 -13.748 0.586 -6.263 1.00 3.13 H new ATOM 0 HH21 ARG A 47 -10.999 1.773 -8.084 1.00 3.10 H new ATOM 0 HH22 ARG A 47 -12.720 1.375 -8.127 1.00 3.10 H new ATOM 349 N ALA A 48 -9.046 -5.047 -4.128 1.00 0.61 N ATOM 350 CA ALA A 48 -8.261 -6.321 -4.116 1.00 0.55 C ATOM 351 C ALA A 48 -6.837 -6.063 -4.622 1.00 0.51 C ATOM 352 O ALA A 48 -6.626 -5.270 -5.524 1.00 0.57 O ATOM 353 CB ALA A 48 -9.008 -7.263 -5.064 1.00 0.60 C ATOM 0 H ALA A 48 -9.595 -4.888 -4.973 1.00 0.61 H new ATOM 0 HA ALA A 48 -8.174 -6.744 -3.115 1.00 0.55 H new ATOM 0 HB1 ALA A 48 -8.490 -8.221 -5.107 1.00 0.60 H new ATOM 0 HB2 ALA A 48 -10.024 -7.416 -4.700 1.00 0.60 H new ATOM 0 HB3 ALA A 48 -9.042 -6.824 -6.061 1.00 0.60 H new ATOM 354 N VAL A 49 -5.860 -6.718 -4.044 1.00 0.49 N ATOM 355 CA VAL A 49 -4.444 -6.508 -4.482 1.00 0.52 C ATOM 356 C VAL A 49 -3.791 -7.858 -4.827 1.00 0.50 C ATOM 357 O VAL A 49 -3.392 -8.592 -3.944 1.00 0.53 O ATOM 358 CB VAL A 49 -3.756 -5.849 -3.277 1.00 0.62 C ATOM 359 CG1 VAL A 49 -2.255 -5.698 -3.541 1.00 0.75 C ATOM 360 CG2 VAL A 49 -4.364 -4.464 -3.033 1.00 0.70 C ATOM 0 H VAL A 49 -5.982 -7.390 -3.287 1.00 0.49 H new ATOM 0 HA VAL A 49 -4.367 -5.890 -5.377 1.00 0.52 H new ATOM 0 HB VAL A 49 -3.905 -6.479 -2.400 1.00 0.62 H new ATOM 0 HG11 VAL A 49 -1.779 -5.230 -2.679 1.00 0.75 H new ATOM 0 HG12 VAL A 49 -1.814 -6.681 -3.709 1.00 0.75 H new ATOM 0 HG13 VAL A 49 -2.101 -5.076 -4.423 1.00 0.75 H new ATOM 0 HG21 VAL A 49 -3.875 -3.998 -2.178 1.00 0.70 H new ATOM 0 HG22 VAL A 49 -4.220 -3.843 -3.917 1.00 0.70 H new ATOM 0 HG23 VAL A 49 -5.430 -4.565 -2.831 1.00 0.70 H new ATOM 361 N PRO A 50 -3.702 -8.140 -6.109 1.00 0.52 N ATOM 362 CA PRO A 50 -3.086 -9.415 -6.572 1.00 0.59 C ATOM 363 C PRO A 50 -1.564 -9.419 -6.335 1.00 0.58 C ATOM 364 O PRO A 50 -1.031 -8.578 -5.632 1.00 0.87 O ATOM 365 CB PRO A 50 -3.424 -9.455 -8.064 1.00 0.69 C ATOM 366 CG PRO A 50 -3.639 -8.029 -8.455 1.00 0.66 C ATOM 367 CD PRO A 50 -4.165 -7.314 -7.237 1.00 0.57 C ATOM 0 HA PRO A 50 -3.459 -10.287 -6.034 1.00 0.59 H new ATOM 0 HB2 PRO A 50 -2.614 -9.903 -8.639 1.00 0.69 H new ATOM 0 HB3 PRO A 50 -4.316 -10.053 -8.250 1.00 0.69 H new ATOM 0 HG2 PRO A 50 -2.707 -7.577 -8.795 1.00 0.66 H new ATOM 0 HG3 PRO A 50 -4.347 -7.958 -9.280 1.00 0.66 H new ATOM 0 HD2 PRO A 50 -3.777 -6.297 -7.173 1.00 0.57 H new ATOM 0 HD3 PRO A 50 -5.252 -7.239 -7.257 1.00 0.57 H new ATOM 368 N LEU A 51 -0.868 -10.375 -6.902 1.00 0.58 N ATOM 369 CA LEU A 51 0.618 -10.461 -6.705 1.00 0.56 C ATOM 370 C LEU A 51 1.351 -9.332 -7.446 1.00 0.56 C ATOM 371 O LEU A 51 1.008 -8.977 -8.559 1.00 0.63 O ATOM 372 CB LEU A 51 1.024 -11.821 -7.284 1.00 0.65 C ATOM 373 CG LEU A 51 0.766 -12.924 -6.251 1.00 0.65 C ATOM 374 CD1 LEU A 51 -0.208 -13.952 -6.831 1.00 0.76 C ATOM 375 CD2 LEU A 51 2.087 -13.616 -5.902 1.00 0.78 C ATOM 0 H LEU A 51 -1.265 -11.103 -7.496 1.00 0.58 H new ATOM 0 HA LEU A 51 0.881 -10.360 -5.652 1.00 0.56 H new ATOM 0 HB2 LEU A 51 0.458 -12.023 -8.194 1.00 0.65 H new ATOM 0 HB3 LEU A 51 2.078 -11.809 -7.560 1.00 0.65 H new ATOM 0 HG LEU A 51 0.336 -12.483 -5.352 1.00 0.65 H new ATOM 0 HD11 LEU A 51 -0.391 -14.736 -6.096 1.00 0.76 H new ATOM 0 HD12 LEU A 51 -1.149 -13.462 -7.080 1.00 0.76 H new ATOM 0 HD13 LEU A 51 0.221 -14.392 -7.731 1.00 0.76 H new ATOM 0 HD21 LEU A 51 1.904 -14.400 -5.168 1.00 0.78 H new ATOM 0 HD22 LEU A 51 2.517 -14.055 -6.802 1.00 0.78 H new ATOM 0 HD23 LEU A 51 2.782 -12.886 -5.487 1.00 0.78 H new ATOM 376 N GLY A 52 2.373 -8.782 -6.827 1.00 0.53 N ATOM 377 CA GLY A 52 3.172 -7.683 -7.463 1.00 0.57 C ATOM 378 C GLY A 52 2.299 -6.448 -7.729 1.00 0.57 C ATOM 379 O GLY A 52 2.473 -5.769 -8.723 1.00 0.70 O ATOM 0 H GLY A 52 2.690 -9.052 -5.896 1.00 0.53 H new ATOM 0 HA2 GLY A 52 4.004 -7.411 -6.813 1.00 0.57 H new ATOM 0 HA3 GLY A 52 3.602 -8.037 -8.400 1.00 0.57 H new ATOM 380 N THR A 53 1.373 -6.146 -6.851 1.00 0.49 N ATOM 381 CA THR A 53 0.503 -4.947 -7.059 1.00 0.57 C ATOM 382 C THR A 53 1.035 -3.761 -6.248 1.00 0.48 C ATOM 383 O THR A 53 1.136 -3.824 -5.038 1.00 0.47 O ATOM 384 CB THR A 53 -0.887 -5.367 -6.571 1.00 0.63 C ATOM 385 OG1 THR A 53 -1.398 -6.369 -7.435 1.00 0.71 O ATOM 386 CG2 THR A 53 -1.832 -4.160 -6.582 1.00 0.92 C ATOM 0 H THR A 53 1.183 -6.677 -6.001 1.00 0.49 H new ATOM 0 HA THR A 53 0.480 -4.629 -8.101 1.00 0.57 H new ATOM 0 HB THR A 53 -0.812 -5.753 -5.554 1.00 0.63 H new ATOM 0 HG1 THR A 53 -1.172 -6.147 -8.363 1.00 0.71 H new ATOM 0 HG21 THR A 53 -2.818 -4.467 -6.234 1.00 0.92 H new ATOM 0 HG22 THR A 53 -1.440 -3.385 -5.924 1.00 0.92 H new ATOM 0 HG23 THR A 53 -1.911 -3.769 -7.596 1.00 0.92 H new ATOM 387 N THR A 54 1.372 -2.678 -6.909 1.00 0.52 N ATOM 388 CA THR A 54 1.896 -1.481 -6.176 1.00 0.51 C ATOM 389 C THR A 54 0.798 -0.877 -5.285 1.00 0.52 C ATOM 390 O THR A 54 -0.382 -1.020 -5.554 1.00 0.62 O ATOM 391 CB THR A 54 2.333 -0.486 -7.266 1.00 0.62 C ATOM 392 OG1 THR A 54 3.014 0.604 -6.660 1.00 1.42 O ATOM 393 CG2 THR A 54 1.113 0.039 -8.034 1.00 1.35 C ATOM 0 H THR A 54 1.307 -2.572 -7.921 1.00 0.52 H new ATOM 0 HA THR A 54 2.726 -1.737 -5.518 1.00 0.51 H new ATOM 0 HB THR A 54 2.995 -0.997 -7.966 1.00 0.62 H new ATOM 0 HG1 THR A 54 3.865 0.756 -7.122 1.00 1.42 H new ATOM 0 HG21 THR A 54 1.440 0.741 -8.801 1.00 1.35 H new ATOM 0 HG22 THR A 54 0.593 -0.795 -8.504 1.00 1.35 H new ATOM 0 HG23 THR A 54 0.438 0.545 -7.343 1.00 1.35 H new ATOM 394 N LEU A 55 1.183 -0.212 -4.225 1.00 0.63 N ATOM 395 CA LEU A 55 0.171 0.399 -3.308 1.00 0.73 C ATOM 396 C LEU A 55 -0.491 1.608 -3.981 1.00 0.63 C ATOM 397 O LEU A 55 0.157 2.590 -4.286 1.00 0.79 O ATOM 398 CB LEU A 55 0.962 0.837 -2.068 1.00 1.03 C ATOM 399 CG LEU A 55 0.214 0.420 -0.797 1.00 0.98 C ATOM 400 CD1 LEU A 55 1.016 0.861 0.429 1.00 1.63 C ATOM 401 CD2 LEU A 55 -1.167 1.083 -0.766 1.00 1.76 C ATOM 0 H LEU A 55 2.155 -0.065 -3.954 1.00 0.63 H new ATOM 0 HA LEU A 55 -0.626 -0.299 -3.052 1.00 0.73 H new ATOM 0 HB2 LEU A 55 1.954 0.386 -2.081 1.00 1.03 H new ATOM 0 HB3 LEU A 55 1.103 1.918 -2.079 1.00 1.03 H new ATOM 0 HG LEU A 55 0.093 -0.663 -0.789 1.00 0.98 H new ATOM 0 HD11 LEU A 55 0.487 0.566 1.335 1.00 1.63 H new ATOM 0 HD12 LEU A 55 1.998 0.387 0.411 1.00 1.63 H new ATOM 0 HD13 LEU A 55 1.136 1.944 0.415 1.00 1.63 H new ATOM 0 HD21 LEU A 55 -1.694 0.783 0.140 1.00 1.76 H new ATOM 0 HD22 LEU A 55 -1.051 2.167 -0.776 1.00 1.76 H new ATOM 0 HD23 LEU A 55 -1.740 0.771 -1.639 1.00 1.76 H new ATOM 402 N MET A 56 -1.779 1.539 -4.214 1.00 0.58 N ATOM 403 CA MET A 56 -2.487 2.683 -4.871 1.00 0.69 C ATOM 404 C MET A 56 -3.213 3.538 -3.822 1.00 0.71 C ATOM 405 O MET A 56 -3.573 3.047 -2.768 1.00 0.66 O ATOM 406 CB MET A 56 -3.492 2.035 -5.828 1.00 0.85 C ATOM 407 CG MET A 56 -2.801 1.712 -7.156 1.00 1.13 C ATOM 408 SD MET A 56 -4.050 1.491 -8.448 1.00 1.66 S ATOM 409 CE MET A 56 -3.036 2.047 -9.840 1.00 2.15 C ATOM 0 H MET A 56 -2.370 0.742 -3.978 1.00 0.58 H new ATOM 0 HA MET A 56 -1.797 3.346 -5.394 1.00 0.69 H new ATOM 0 HB2 MET A 56 -3.896 1.124 -5.386 1.00 0.85 H new ATOM 0 HB3 MET A 56 -4.333 2.707 -5.998 1.00 0.85 H new ATOM 0 HG2 MET A 56 -2.119 2.517 -7.429 1.00 1.13 H new ATOM 0 HG3 MET A 56 -2.202 0.807 -7.056 1.00 1.13 H new ATOM 0 HE1 MET A 56 -3.619 1.993 -10.759 1.00 2.15 H new ATOM 0 HE2 MET A 56 -2.719 3.076 -9.671 1.00 2.15 H new ATOM 0 HE3 MET A 56 -2.158 1.407 -9.929 1.00 2.15 H new ATOM 410 N PRO A 57 -3.406 4.797 -4.149 1.00 0.85 N ATOM 411 CA PRO A 57 -4.099 5.730 -3.222 1.00 0.93 C ATOM 412 C PRO A 57 -5.596 5.395 -3.128 1.00 0.89 C ATOM 413 O PRO A 57 -6.180 5.438 -2.061 1.00 0.94 O ATOM 414 CB PRO A 57 -3.878 7.101 -3.858 1.00 1.13 C ATOM 415 CG PRO A 57 -3.648 6.824 -5.309 1.00 1.16 C ATOM 416 CD PRO A 57 -3.005 5.464 -5.398 1.00 1.00 C ATOM 0 HA PRO A 57 -3.720 5.676 -2.201 1.00 0.93 H new ATOM 0 HB2 PRO A 57 -4.743 7.747 -3.712 1.00 1.13 H new ATOM 0 HB3 PRO A 57 -3.022 7.609 -3.413 1.00 1.13 H new ATOM 0 HG2 PRO A 57 -4.588 6.843 -5.860 1.00 1.16 H new ATOM 0 HG3 PRO A 57 -3.004 7.585 -5.750 1.00 1.16 H new ATOM 0 HD2 PRO A 57 -3.353 4.915 -6.273 1.00 1.00 H new ATOM 0 HD3 PRO A 57 -1.921 5.540 -5.479 1.00 1.00 H new ATOM 417 N ASP A 58 -6.214 5.053 -4.236 1.00 0.88 N ATOM 418 CA ASP A 58 -7.670 4.704 -4.217 1.00 0.93 C ATOM 419 C ASP A 58 -7.895 3.370 -3.487 1.00 0.84 C ATOM 420 O ASP A 58 -8.954 3.131 -2.937 1.00 0.95 O ATOM 421 CB ASP A 58 -8.071 4.580 -5.691 1.00 1.06 C ATOM 422 CG ASP A 58 -8.059 5.966 -6.345 1.00 1.61 C ATOM 423 OD1 ASP A 58 -9.064 6.652 -6.255 1.00 2.19 O ATOM 424 OD2 ASP A 58 -7.043 6.319 -6.923 1.00 2.27 O ATOM 0 H ASP A 58 -5.771 5.001 -5.153 1.00 0.88 H new ATOM 0 HA ASP A 58 -8.262 5.455 -3.693 1.00 0.93 H new ATOM 0 HB2 ASP A 58 -7.381 3.915 -6.211 1.00 1.06 H new ATOM 0 HB3 ASP A 58 -9.064 4.137 -5.772 1.00 1.06 H new ATOM 425 N MET A 59 -6.903 2.508 -3.472 1.00 0.74 N ATOM 426 CA MET A 59 -7.051 1.192 -2.773 1.00 0.71 C ATOM 427 C MET A 59 -7.030 1.383 -1.247 1.00 0.66 C ATOM 428 O MET A 59 -7.629 0.619 -0.519 1.00 0.82 O ATOM 429 CB MET A 59 -5.844 0.361 -3.217 1.00 0.75 C ATOM 430 CG MET A 59 -6.057 -0.137 -4.648 1.00 0.85 C ATOM 431 SD MET A 59 -4.901 -1.486 -4.995 1.00 1.09 S ATOM 432 CE MET A 59 -5.406 -1.788 -6.707 1.00 1.65 C ATOM 0 H MET A 59 -5.997 2.661 -3.915 1.00 0.74 H new ATOM 0 HA MET A 59 -7.996 0.709 -3.020 1.00 0.71 H new ATOM 0 HB2 MET A 59 -4.937 0.963 -3.163 1.00 0.75 H new ATOM 0 HB3 MET A 59 -5.706 -0.485 -2.544 1.00 0.75 H new ATOM 0 HG2 MET A 59 -7.083 -0.481 -4.776 1.00 0.85 H new ATOM 0 HG3 MET A 59 -5.904 0.678 -5.355 1.00 0.85 H new ATOM 0 HE1 MET A 59 -5.251 -2.839 -6.952 1.00 1.65 H new ATOM 0 HE2 MET A 59 -6.461 -1.540 -6.824 1.00 1.65 H new ATOM 0 HE3 MET A 59 -4.810 -1.168 -7.377 1.00 1.65 H new ATOM 433 N VAL A 60 -6.343 2.392 -0.760 1.00 0.68 N ATOM 434 CA VAL A 60 -6.285 2.621 0.720 1.00 0.69 C ATOM 435 C VAL A 60 -7.545 3.356 1.198 1.00 0.78 C ATOM 436 O VAL A 60 -7.976 4.323 0.597 1.00 1.00 O ATOM 437 CB VAL A 60 -5.037 3.487 0.954 1.00 0.79 C ATOM 438 CG1 VAL A 60 -4.920 3.837 2.440 1.00 0.87 C ATOM 439 CG2 VAL A 60 -3.784 2.719 0.518 1.00 0.92 C ATOM 0 H VAL A 60 -5.822 3.065 -1.322 1.00 0.68 H new ATOM 0 HA VAL A 60 -6.235 1.683 1.273 1.00 0.69 H new ATOM 0 HB VAL A 60 -5.127 4.403 0.369 1.00 0.79 H new ATOM 0 HG11 VAL A 60 -4.034 4.451 2.601 1.00 0.87 H new ATOM 0 HG12 VAL A 60 -5.806 4.389 2.755 1.00 0.87 H new ATOM 0 HG13 VAL A 60 -4.837 2.921 3.024 1.00 0.87 H new ATOM 0 HG21 VAL A 60 -2.902 3.337 0.686 1.00 0.92 H new ATOM 0 HG22 VAL A 60 -3.700 1.801 1.099 1.00 0.92 H new ATOM 0 HG23 VAL A 60 -3.858 2.473 -0.541 1.00 0.92 H new ATOM 440 N LYS A 61 -8.125 2.907 2.285 1.00 0.98 N ATOM 441 CA LYS A 61 -9.351 3.578 2.821 1.00 1.18 C ATOM 442 C LYS A 61 -8.949 4.821 3.627 1.00 0.90 C ATOM 443 O LYS A 61 -9.203 5.939 3.219 1.00 0.97 O ATOM 444 CB LYS A 61 -10.026 2.536 3.724 1.00 1.62 C ATOM 445 CG LYS A 61 -11.372 2.124 3.121 1.00 2.09 C ATOM 446 CD LYS A 61 -12.507 2.539 4.063 1.00 2.90 C ATOM 447 CE LYS A 61 -13.825 2.605 3.283 1.00 3.52 C ATOM 448 NZ LYS A 61 -14.830 3.121 4.256 1.00 4.18 N ATOM 0 H LYS A 61 -7.802 2.104 2.825 1.00 0.98 H new ATOM 0 HA LYS A 61 -10.023 3.910 2.030 1.00 1.18 H new ATOM 0 HB2 LYS A 61 -9.383 1.663 3.832 1.00 1.62 H new ATOM 0 HB3 LYS A 61 -10.175 2.948 4.722 1.00 1.62 H new ATOM 0 HG2 LYS A 61 -11.504 2.594 2.147 1.00 2.09 H new ATOM 0 HG3 LYS A 61 -11.395 1.046 2.960 1.00 2.09 H new ATOM 0 HD2 LYS A 61 -12.593 1.825 4.882 1.00 2.90 H new ATOM 0 HD3 LYS A 61 -12.287 3.509 4.508 1.00 2.90 H new ATOM 0 HE2 LYS A 61 -13.739 3.264 2.419 1.00 3.52 H new ATOM 0 HE3 LYS A 61 -14.110 1.622 2.907 1.00 3.52 H new ATOM 0 HZ1 LYS A 61 -15.758 3.193 3.792 1.00 4.18 H new ATOM 0 HZ2 LYS A 61 -14.897 2.470 5.064 1.00 4.18 H new ATOM 0 HZ3 LYS A 61 -14.537 4.061 4.592 1.00 4.18 H new ATOM 449 N ASN A 62 -8.318 4.630 4.762 1.00 1.07 N ATOM 450 CA ASN A 62 -7.888 5.794 5.598 1.00 1.14 C ATOM 451 C ASN A 62 -6.385 6.059 5.410 1.00 0.92 C ATOM 452 O ASN A 62 -5.548 5.431 6.032 1.00 1.08 O ATOM 453 CB ASN A 62 -8.219 5.415 7.055 1.00 1.75 C ATOM 454 CG ASN A 62 -7.540 4.092 7.448 1.00 2.41 C ATOM 455 OD1 ASN A 62 -7.933 3.034 6.996 1.00 3.10 O ATOM 456 ND2 ASN A 62 -6.535 4.108 8.282 1.00 2.94 N ATOM 0 H ASN A 62 -8.082 3.715 5.145 1.00 1.07 H new ATOM 0 HA ASN A 62 -8.401 6.713 5.313 1.00 1.14 H new ATOM 0 HB2 ASN A 62 -7.890 6.210 7.725 1.00 1.75 H new ATOM 0 HB3 ASN A 62 -9.299 5.323 7.174 1.00 1.75 H new ATOM 0 HD21 ASN A 62 -6.082 3.235 8.552 1.00 2.94 H new ATOM 0 HD22 ASN A 62 -6.203 4.994 8.663 1.00 2.94 H new ATOM 457 N TYR A 63 -6.039 6.985 4.547 1.00 0.77 N ATOM 458 CA TYR A 63 -4.592 7.298 4.309 1.00 0.76 C ATOM 459 C TYR A 63 -3.918 7.754 5.608 1.00 0.82 C ATOM 460 O TYR A 63 -4.469 8.537 6.361 1.00 0.99 O ATOM 461 CB TYR A 63 -4.580 8.432 3.278 1.00 0.87 C ATOM 462 CG TYR A 63 -3.812 7.991 2.055 1.00 1.13 C ATOM 463 CD1 TYR A 63 -2.417 7.874 2.105 1.00 1.99 C ATOM 464 CD2 TYR A 63 -4.497 7.700 0.870 1.00 1.11 C ATOM 465 CE1 TYR A 63 -1.709 7.465 0.970 1.00 2.62 C ATOM 466 CE2 TYR A 63 -3.790 7.291 -0.263 1.00 1.61 C ATOM 467 CZ TYR A 63 -2.395 7.173 -0.215 1.00 2.36 C ATOM 468 OH TYR A 63 -1.697 6.769 -1.336 1.00 3.05 O ATOM 0 H TYR A 63 -6.696 7.538 3.997 1.00 0.77 H new ATOM 0 HA TYR A 63 -4.046 6.423 3.957 1.00 0.76 H new ATOM 0 HB2 TYR A 63 -5.600 8.699 3.003 1.00 0.87 H new ATOM 0 HB3 TYR A 63 -4.122 9.323 3.707 1.00 0.87 H new ATOM 0 HD1 TYR A 63 -1.888 8.099 3.019 1.00 1.99 H new ATOM 0 HD2 TYR A 63 -5.572 7.792 0.832 1.00 1.11 H new ATOM 0 HE1 TYR A 63 -0.633 7.375 1.008 1.00 2.62 H new ATOM 0 HE2 TYR A 63 -4.319 7.066 -1.177 1.00 1.61 H new ATOM 0 HH TYR A 63 -0.744 6.966 -1.217 1.00 3.05 H new ATOM 469 N GLU A 64 -2.732 7.267 5.874 1.00 0.87 N ATOM 470 CA GLU A 64 -2.014 7.665 7.124 1.00 1.00 C ATOM 471 C GLU A 64 -1.327 9.027 6.947 1.00 0.97 C ATOM 472 O GLU A 64 -1.147 9.759 7.902 1.00 1.26 O ATOM 473 CB GLU A 64 -0.984 6.557 7.366 1.00 1.22 C ATOM 474 CG GLU A 64 -1.711 5.222 7.598 1.00 1.85 C ATOM 475 CD GLU A 64 -1.066 4.443 8.755 1.00 2.55 C ATOM 476 OE1 GLU A 64 0.090 4.696 9.058 1.00 3.04 O ATOM 477 OE2 GLU A 64 -1.743 3.598 9.317 1.00 3.07 O ATOM 0 H GLU A 64 -2.229 6.610 5.278 1.00 0.87 H new ATOM 0 HA GLU A 64 -2.695 7.774 7.968 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -0.315 6.475 6.510 1.00 1.22 H new ATOM 0 HB3 GLU A 64 -0.367 6.802 8.230 1.00 1.22 H new ATOM 0 HG2 GLU A 64 -2.762 5.409 7.821 1.00 1.85 H new ATOM 0 HG3 GLU A 64 -1.680 4.623 6.688 1.00 1.85 H new ATOM 478 N ASP A 65 -0.955 9.380 5.738 1.00 1.46 N ATOM 479 CA ASP A 65 -0.297 10.704 5.512 1.00 1.61 C ATOM 480 C ASP A 65 -1.370 11.800 5.437 1.00 1.71 C ATOM 481 O ASP A 65 -2.034 11.964 4.430 1.00 2.57 O ATOM 482 CB ASP A 65 0.446 10.569 4.175 1.00 2.70 C ATOM 483 CG ASP A 65 1.907 10.996 4.351 1.00 3.24 C ATOM 484 OD1 ASP A 65 2.151 12.190 4.420 1.00 3.79 O ATOM 485 OD2 ASP A 65 2.756 10.122 4.412 1.00 3.66 O ATOM 0 H ASP A 65 -1.079 8.809 4.902 1.00 1.46 H new ATOM 0 HA ASP A 65 0.388 10.975 6.316 1.00 1.61 H new ATOM 0 HB2 ASP A 65 0.398 9.538 3.824 1.00 2.70 H new ATOM 0 HB3 ASP A 65 -0.035 11.187 3.417 1.00 2.70 H new ATOM 486 N GLY A 66 -1.547 12.542 6.504 1.00 1.72 N ATOM 487 CA GLY A 66 -2.581 13.621 6.516 1.00 2.74 C ATOM 488 C GLY A 66 -1.964 14.936 6.037 1.00 2.70 C ATOM 489 O GLY A 66 -1.908 15.906 6.770 1.00 3.39 O ATOM 0 H GLY A 66 -1.017 12.445 7.370 1.00 1.72 H new ATOM 0 HA2 GLY A 66 -3.416 13.345 5.872 1.00 2.74 H new ATOM 0 HA3 GLY A 66 -2.982 13.742 7.522 1.00 2.74 H new ATOM 490 N THR A 67 -1.501 14.973 4.811 1.00 2.32 N ATOM 491 CA THR A 67 -0.883 16.225 4.275 1.00 2.70 C ATOM 492 C THR A 67 -1.945 17.084 3.562 1.00 2.29 C ATOM 493 O THR A 67 -2.508 17.986 4.153 1.00 2.57 O ATOM 494 CB THR A 67 0.212 15.753 3.304 1.00 3.37 C ATOM 495 OG1 THR A 67 1.155 14.950 4.006 1.00 3.68 O ATOM 496 CG2 THR A 67 0.926 16.964 2.696 1.00 4.42 C ATOM 0 H THR A 67 -1.525 14.189 4.158 1.00 2.32 H new ATOM 0 HA THR A 67 -0.465 16.853 5.062 1.00 2.70 H new ATOM 0 HB THR A 67 -0.245 15.168 2.506 1.00 3.37 H new ATOM 0 HG1 THR A 67 1.011 14.006 3.784 1.00 3.68 H new ATOM 0 HG21 THR A 67 1.700 16.623 2.009 1.00 4.42 H new ATOM 0 HG22 THR A 67 0.206 17.577 2.155 1.00 4.42 H new ATOM 0 HG23 THR A 67 1.381 17.555 3.491 1.00 4.42 H new ATOM 497 N THR A 68 -2.222 16.819 2.302 1.00 2.21 N ATOM 498 CA THR A 68 -3.245 17.632 1.568 1.00 2.48 C ATOM 499 C THR A 68 -4.494 16.789 1.266 1.00 2.49 C ATOM 500 O THR A 68 -5.501 16.905 1.938 1.00 2.94 O ATOM 501 CB THR A 68 -2.560 18.091 0.267 1.00 3.04 C ATOM 502 OG1 THR A 68 -1.867 16.997 -0.334 1.00 3.26 O ATOM 503 CG2 THR A 68 -1.577 19.225 0.575 1.00 3.30 C ATOM 0 H THR A 68 -1.785 16.078 1.755 1.00 2.21 H new ATOM 0 HA THR A 68 -3.583 18.483 2.160 1.00 2.48 H new ATOM 0 HB THR A 68 -3.319 18.451 -0.428 1.00 3.04 H new ATOM 0 HG1 THR A 68 -1.436 17.298 -1.161 1.00 3.26 H new ATOM 0 HG21 THR A 68 -1.094 19.548 -0.347 1.00 3.30 H new ATOM 0 HG22 THR A 68 -2.116 20.064 1.015 1.00 3.30 H new ATOM 0 HG23 THR A 68 -0.821 18.871 1.276 1.00 3.30 H new ATOM 504 N SER A 69 -4.435 15.949 0.258 1.00 2.43 N ATOM 505 CA SER A 69 -5.619 15.102 -0.099 1.00 2.66 C ATOM 506 C SER A 69 -5.799 13.943 0.900 1.00 2.16 C ATOM 507 O SER A 69 -6.872 13.782 1.448 1.00 2.25 O ATOM 508 CB SER A 69 -5.328 14.570 -1.506 1.00 3.21 C ATOM 509 OG SER A 69 -5.727 15.538 -2.467 1.00 3.85 O ATOM 0 H SER A 69 -3.616 15.814 -0.334 1.00 2.43 H new ATOM 0 HA SER A 69 -6.545 15.676 -0.065 1.00 2.66 H new ATOM 0 HB2 SER A 69 -4.265 14.352 -1.612 1.00 3.21 H new ATOM 0 HB3 SER A 69 -5.863 13.635 -1.671 1.00 3.21 H new ATOM 0 HG SER A 69 -5.540 15.201 -3.368 1.00 3.85 H new ATOM 510 N PRO A 70 -4.750 13.164 1.108 1.00 1.94 N ATOM 511 CA PRO A 70 -4.839 12.016 2.053 1.00 1.69 C ATOM 512 C PRO A 70 -4.902 12.511 3.506 1.00 1.52 C ATOM 513 O PRO A 70 -4.419 13.582 3.826 1.00 1.98 O ATOM 514 CB PRO A 70 -3.550 11.238 1.795 1.00 2.00 C ATOM 515 CG PRO A 70 -2.593 12.242 1.239 1.00 2.33 C ATOM 516 CD PRO A 70 -3.412 13.269 0.503 1.00 2.32 C ATOM 0 HA PRO A 70 -5.733 11.411 1.905 1.00 1.69 H new ATOM 0 HB2 PRO A 70 -3.166 10.795 2.714 1.00 2.00 H new ATOM 0 HB3 PRO A 70 -3.717 10.421 1.093 1.00 2.00 H new ATOM 0 HG2 PRO A 70 -2.016 12.709 2.038 1.00 2.33 H new ATOM 0 HG3 PRO A 70 -1.879 11.764 0.568 1.00 2.33 H new ATOM 0 HD2 PRO A 70 -2.998 14.270 0.624 1.00 2.32 H new ATOM 0 HD3 PRO A 70 -3.441 13.063 -0.567 1.00 2.32 H new ATOM 517 N GLY A 71 -5.493 11.735 4.383 1.00 1.53 N ATOM 518 CA GLY A 71 -5.592 12.151 5.815 1.00 1.71 C ATOM 519 C GLY A 71 -6.805 11.484 6.469 1.00 1.76 C ATOM 520 O GLY A 71 -6.755 10.329 6.850 1.00 2.11 O ATOM 0 H GLY A 71 -5.911 10.830 4.167 1.00 1.53 H new ATOM 0 HA2 GLY A 71 -4.682 11.873 6.347 1.00 1.71 H new ATOM 0 HA3 GLY A 71 -5.682 13.235 5.882 1.00 1.71 H new ATOM 521 N LEU A 72 -7.893 12.204 6.603 1.00 2.04 N ATOM 522 CA LEU A 72 -9.117 11.621 7.234 1.00 2.51 C ATOM 523 C LEU A 72 -10.159 11.282 6.165 1.00 2.64 C ATOM 524 O LEU A 72 -10.342 12.012 5.207 1.00 3.20 O ATOM 525 CB LEU A 72 -9.646 12.713 8.170 1.00 3.18 C ATOM 526 CG LEU A 72 -9.122 12.473 9.591 1.00 3.71 C ATOM 527 CD1 LEU A 72 -7.796 13.214 9.783 1.00 4.60 C ATOM 528 CD2 LEU A 72 -10.146 12.990 10.606 1.00 4.22 C ATOM 0 H LEU A 72 -7.985 13.174 6.301 1.00 2.04 H new ATOM 0 HA LEU A 72 -8.899 10.696 7.769 1.00 2.51 H new ATOM 0 HB2 LEU A 72 -9.329 13.694 7.816 1.00 3.18 H new ATOM 0 HB3 LEU A 72 -10.736 12.710 8.169 1.00 3.18 H new ATOM 0 HG LEU A 72 -8.965 11.405 9.742 1.00 3.71 H new ATOM 0 HD11 LEU A 72 -7.426 13.042 10.794 1.00 4.60 H new ATOM 0 HD12 LEU A 72 -7.066 12.846 9.062 1.00 4.60 H new ATOM 0 HD13 LEU A 72 -7.951 14.282 9.630 1.00 4.60 H new ATOM 0 HD21 LEU A 72 -9.775 12.820 11.617 1.00 4.22 H new ATOM 0 HD22 LEU A 72 -10.304 14.058 10.452 1.00 4.22 H new ATOM 0 HD23 LEU A 72 -11.090 12.461 10.473 1.00 4.22 H new ATOM 529 N LYS A 73 -10.844 10.178 6.328 1.00 2.60 N ATOM 530 CA LYS A 73 -11.887 9.773 5.327 1.00 3.16 C ATOM 531 C LYS A 73 -13.166 10.617 5.489 1.00 3.66 C ATOM 532 O LYS A 73 -13.327 11.244 6.526 1.00 4.13 O ATOM 533 CB LYS A 73 -12.171 8.288 5.606 1.00 3.32 C ATOM 534 CG LYS A 73 -12.755 8.108 7.015 1.00 3.93 C ATOM 535 CD LYS A 73 -13.736 6.932 7.019 1.00 4.42 C ATOM 536 CE LYS A 73 -14.844 7.190 8.046 1.00 5.19 C ATOM 537 NZ LYS A 73 -14.347 6.594 9.320 1.00 5.75 N ATOM 538 OXT LYS A 73 -13.965 10.621 4.566 1.00 4.04 O ATOM 0 H LYS A 73 -10.728 9.536 7.112 1.00 2.60 H new ATOM 0 HA LYS A 73 -11.544 9.932 4.305 1.00 3.16 H new ATOM 0 HB2 LYS A 73 -12.869 7.899 4.864 1.00 3.32 H new ATOM 0 HB3 LYS A 73 -11.251 7.711 5.511 1.00 3.32 H new ATOM 0 HG2 LYS A 73 -11.953 7.928 7.731 1.00 3.93 H new ATOM 0 HG3 LYS A 73 -13.264 9.020 7.328 1.00 3.93 H new ATOM 0 HD2 LYS A 73 -14.169 6.803 6.027 1.00 4.42 H new ATOM 0 HD3 LYS A 73 -13.211 6.008 7.260 1.00 4.42 H new ATOM 0 HE2 LYS A 73 -15.035 8.257 8.159 1.00 5.19 H new ATOM 0 HE3 LYS A 73 -15.782 6.730 7.736 1.00 5.19 H new ATOM 0 HZ1 LYS A 73 -15.056 6.734 10.068 1.00 5.75 H new ATOM 0 HZ2 LYS A 73 -14.181 5.576 9.186 1.00 5.75 H new ATOM 0 HZ3 LYS A 73 -13.457 7.056 9.595 1.00 5.75 H new TER 539 LYS A 73 END