USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) HEADER VIRAL PROTEIN 01-MAY-15 2N28 TITLE SOLID-STATE NMR STRUCTURE OF VPU COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN VPU; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: U ORF PROTEIN, VIRAL PROTEIN U; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_COMMON: HIV-1; SOURCE 4 ORGANISM_TAXID: 11676; SOURCE 5 GENE: VPU; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C41; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET31B+ KEYWDS ALPHA HELIX, VIRAL PROTEIN EXPDTA SOLID-STATE NMR AUTHOR H.ZHANG,E.C.LIN,Y.TIAN,B.B.DAS,S.J.OPELLA REVDAT 2 14-OCT-15 2N28 1 JRNL REVDAT 1 30-SEP-15 2N28 0 JRNL AUTH H.ZHANG,E.C.LIN,B.B.DAS,Y.TIAN,S.J.OPELLA JRNL TITL STRUCTURAL DETERMINATION OF VIRUS PROTEIN U FROM HIV-1 BY JRNL TITL 2 NMR IN MEMBRANE ENVIRONMENTS. JRNL REF BIOCHIM.BIOPHYS.ACTA V.1848 3007 2015 JRNL REFN ISSN 0006-3002 JRNL PMID 26362058 JRNL DOI 10.1016/J.BBAMEM.2015.09.008 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER, A.T. ET.AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE ANI COORDINATES HAVE BEEN INCLUDED REMARK 3 IN THE RESTRAINT FILE. THE ANI Z AXIS SPECIFIES THE DIRECTION OF REMARK 3 THE NORMAL TO THE PLANE OF THE LIPID BILAYER MEMBRANE. REMARK 4 REMARK 4 2N28 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAY-15. REMARK 100 THE RCSB ID CODE IS RCSB104329. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.3 REMARK 210 IONIC STRENGTH : 20 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 8.5 MM [U-100% 13C; U-100% 15N] REMARK 210 HIV-1 VIRUS PROTEIN U, 100% H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D_13C/13C_PDSD; 2D_13C/15N_ REMARK 210 HETCOR; 2D_13C/13C_TOBSY; 2D_13C- REMARK 210 1H_DC/13C_SLF; 2D_15N-1H_DC/13C_ REMARK 210 SLF; 3D_15N/13CA/13C; 3D_15N/13C' REMARK 210 /13C; 3D_1H-15N_DC/15N/13CA_SLF; REMARK 210 3D_1H-13C_DC/15N/13CA_SLF REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 217 REMARK 217 SOLID STATE NMR STUDY REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 217 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 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HD23 LEU A 41 HH21 ARG A 44 0.39 REMARK 500 CD2 LEU A 41 HH21 ARG A 44 1.16 REMARK 500 HD23 LEU A 41 NH2 ARG A 44 1.23 REMARK 500 CD2 LEU A 41 NH2 ARG A 44 1.89 REMARK 500 REMARK 500 REMARK: NULL 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 ARG A 34 -10.92 61.87 REMARK 500 ALA A 49 142.47 175.63 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 25591 RELATED DB: BMRB REMARK 900 RELATED ID: 2N29 RELATED DB: PDB DBREF 2N28 A 1 81 UNP P69700 VPU_HV1H3 1 81 SEQADV 2N28 LEU A 66 UNP P69700 MET 66 CONFLICT SEQADV 2N28 LEU A 70 UNP P69700 MET 70 CONFLICT SEQRES 1 A 81 MET GLN PRO ILE GLN ILE ALA ILE VAL ALA LEU VAL VAL SEQRES 2 A 81 ALA ILE ILE ILE ALA ILE VAL VAL TRP SER ILE VAL ILE SEQRES 3 A 81 ILE GLU TYR ARG LYS ILE LEU ARG GLN ARG LYS ILE ASP SEQRES 4 A 81 ARG LEU ILE ASP ARG LEU ILE GLU ARG ALA GLU ASP SER SEQRES 5 A 81 GLY ASN GLU SER GLU GLY GLU ILE SER ALA LEU VAL GLU SEQRES 6 A 81 LEU GLY VAL GLU LEU GLY HIS HIS ALA PRO TRP ASP VAL SEQRES 7 A 81 ASP ASP LEU HELIX 1 1 ILE A 8 GLU A 28 1 21 HELIX 2 2 ARG A 34 ARG A 40 1 7 HELIX 3 3 ARG A 40 ALA A 49 1 10 HELIX 4 4 GLY A 58 GLY A 71 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+ -176:sc= -1.05 (180deg=-1.2) USER MOD Single : A 2 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.23) USER MOD Single : A 5 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.72) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.4!) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0492 (180deg=-0.571) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -49:sc= 1.2 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 73 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.130 20.683 14.971 1.00 0.00 N ATOM 2 CA MET A 1 31.706 21.083 13.599 1.00 0.00 C ATOM 3 C MET A 1 30.996 19.913 12.928 1.00 0.00 C ATOM 4 O MET A 1 30.812 19.900 11.711 1.00 0.00 O ATOM 5 CB MET A 1 32.937 21.486 12.781 1.00 0.00 C ATOM 6 CG MET A 1 33.849 22.379 13.626 1.00 0.00 C ATOM 7 SD MET A 1 32.938 23.853 14.146 1.00 0.00 S ATOM 8 CE MET A 1 34.206 24.528 15.246 1.00 0.00 C ATOM 0 H1 MET A 1 32.554 21.500 15.455 1.00 0.00 H new ATOM 0 H2 MET A 1 31.302 20.353 15.508 1.00 0.00 H new ATOM 0 H3 MET A 1 32.830 19.916 14.908 1.00 0.00 H new ATOM 0 HA MET A 1 31.023 21.931 13.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.479 20.597 12.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.629 22.015 11.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.204 21.831 14.499 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.729 22.667 13.050 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.848 25.459 15.686 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.419 23.811 16.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.116 24.721 14.677 1.00 0.00 H new ATOM 20 N GLN A 2 30.598 18.930 13.730 1.00 0.00 N ATOM 21 CA GLN A 2 29.908 17.759 13.203 1.00 0.00 C ATOM 22 C GLN A 2 28.494 18.141 12.752 1.00 0.00 C ATOM 23 O GLN A 2 27.887 19.047 13.321 1.00 0.00 O ATOM 24 CB GLN A 2 29.825 16.680 14.291 1.00 0.00 C ATOM 25 CG GLN A 2 31.229 16.170 14.639 1.00 0.00 C ATOM 26 CD GLN A 2 31.876 15.510 13.424 1.00 0.00 C ATOM 27 OE1 GLN A 2 31.298 14.602 12.828 1.00 0.00 O ATOM 28 NE2 GLN A 2 33.049 15.916 13.022 1.00 0.00 N ATOM 0 H GLN A 2 30.740 18.921 14.740 1.00 0.00 H new ATOM 0 HA GLN A 2 30.463 17.374 12.347 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.347 17.087 15.182 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.205 15.853 13.946 1.00 0.00 H new ATOM 0 HG2 GLN A 2 31.848 16.999 14.983 1.00 0.00 H new ATOM 0 HG3 GLN A 2 31.169 15.455 15.460 1.00 0.00 H new ATOM 0 HE21 GLN A 2 33.526 16.669 13.518 1.00 0.00 H new ATOM 0 HE22 GLN A 2 33.489 15.480 12.212 1.00 0.00 H new ATOM 37 N PRO A 3 27.956 17.482 11.750 1.00 0.00 N ATOM 38 CA PRO A 3 26.583 17.785 11.243 1.00 0.00 C ATOM 39 C PRO A 3 25.502 17.353 12.234 1.00 0.00 C ATOM 40 O PRO A 3 25.698 16.420 13.014 1.00 0.00 O ATOM 41 CB PRO A 3 26.502 16.985 9.934 1.00 0.00 C ATOM 42 CG PRO A 3 27.433 15.836 10.139 1.00 0.00 C ATOM 43 CD PRO A 3 28.582 16.381 10.989 1.00 0.00 C ATOM 0 HA PRO A 3 26.415 18.852 11.099 1.00 0.00 H new ATOM 0 HB2 PRO A 3 25.485 16.642 9.741 1.00 0.00 H new ATOM 0 HB3 PRO A 3 26.802 17.591 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.931 15.010 10.643 1.00 0.00 H new ATOM 0 HG3 PRO A 3 27.798 15.453 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 3 28.989 15.617 11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 3 29.405 16.738 10.370 1.00 0.00 H new ATOM 51 N ILE A 4 24.362 18.040 12.196 1.00 0.00 N ATOM 52 CA ILE A 4 23.249 17.729 13.095 1.00 0.00 C ATOM 53 C ILE A 4 21.917 17.898 12.373 1.00 0.00 C ATOM 54 O ILE A 4 21.763 18.779 11.528 1.00 0.00 O ATOM 55 CB ILE A 4 23.290 18.654 14.313 1.00 0.00 C ATOM 56 CG1 ILE A 4 22.216 18.224 15.316 1.00 0.00 C ATOM 57 CG2 ILE A 4 23.027 20.094 13.871 1.00 0.00 C ATOM 58 CD1 ILE A 4 22.445 18.939 16.648 1.00 0.00 C ATOM 0 H ILE A 4 24.184 18.813 11.555 1.00 0.00 H new ATOM 0 HA ILE A 4 23.346 16.693 13.420 1.00 0.00 H new ATOM 0 HB ILE A 4 24.272 18.593 14.782 1.00 0.00 H new ATOM 0 HG12 ILE A 4 21.225 18.463 14.929 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.250 17.144 15.460 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.056 20.752 14.739 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.791 20.401 13.157 1.00 0.00 H new ATOM 0 HG23 ILE A 4 22.045 20.157 13.401 1.00 0.00 H new ATOM 0 HD11 ILE A 4 21.680 18.633 17.362 1.00 0.00 H new ATOM 0 HD12 ILE A 4 23.429 18.678 17.037 1.00 0.00 H new ATOM 0 HD13 ILE A 4 22.389 20.017 16.497 1.00 0.00 H new ATOM 70 N GLN A 5 20.953 17.046 12.715 1.00 0.00 N ATOM 71 CA GLN A 5 19.628 17.102 12.098 1.00 0.00 C ATOM 72 C GLN A 5 18.564 16.617 13.077 1.00 0.00 C ATOM 73 O GLN A 5 18.866 15.897 14.029 1.00 0.00 O ATOM 74 CB GLN A 5 19.604 16.236 10.835 1.00 0.00 C ATOM 75 CG GLN A 5 19.908 14.781 11.201 1.00 0.00 C ATOM 76 CD GLN A 5 19.991 13.934 9.935 1.00 0.00 C ATOM 77 OE1 GLN A 5 19.030 13.867 9.169 1.00 0.00 O ATOM 78 NE2 GLN A 5 21.089 13.281 9.669 1.00 0.00 N ATOM 0 H GLN A 5 21.063 16.311 13.413 1.00 0.00 H new ATOM 0 HA GLN A 5 19.412 18.136 11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.628 16.304 10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 5 20.339 16.602 10.118 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.848 14.724 11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.131 14.392 11.859 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.884 13.339 10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.153 12.713 8.824 1.00 0.00 H new ATOM 87 N ILE A 6 17.320 17.020 12.838 1.00 0.00 N ATOM 88 CA ILE A 6 16.221 16.624 13.711 1.00 0.00 C ATOM 89 C ILE A 6 16.060 15.105 13.714 1.00 0.00 C ATOM 90 O ILE A 6 15.914 14.491 14.770 1.00 0.00 O ATOM 91 CB ILE A 6 14.921 17.286 13.238 1.00 0.00 C ATOM 92 CG1 ILE A 6 15.010 18.796 13.471 1.00 0.00 C ATOM 93 CG2 ILE A 6 13.734 16.723 14.028 1.00 0.00 C ATOM 94 CD1 ILE A 6 13.853 19.494 12.755 1.00 0.00 C ATOM 0 H ILE A 6 17.049 17.615 12.055 1.00 0.00 H new ATOM 0 HA ILE A 6 16.445 16.951 14.727 1.00 0.00 H new ATOM 0 HB ILE A 6 14.778 17.082 12.177 1.00 0.00 H new ATOM 0 HG12 ILE A 6 14.974 19.012 14.539 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.962 19.176 13.101 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.813 17.197 13.688 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.669 15.647 13.869 1.00 0.00 H new ATOM 0 HG23 ILE A 6 13.875 16.925 15.090 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.918 20.569 12.922 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.910 19.289 11.686 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.906 19.122 13.146 1.00 0.00 H new ATOM 106 N ALA A 7 16.086 14.506 12.527 1.00 0.00 N ATOM 107 CA ALA A 7 15.941 13.058 12.409 1.00 0.00 C ATOM 108 C ALA A 7 16.552 12.556 11.105 1.00 0.00 C ATOM 109 O ALA A 7 16.654 13.298 10.128 1.00 0.00 O ATOM 110 CB ALA A 7 14.460 12.678 12.458 1.00 0.00 C ATOM 0 H ALA A 7 16.205 14.995 11.640 1.00 0.00 H new ATOM 0 HA ALA A 7 16.467 12.593 13.243 1.00 0.00 H new ATOM 0 HB1 ALA A 7 14.359 11.596 12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 7 14.031 13.006 13.405 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.933 13.160 11.635 1.00 0.00 H new ATOM 116 N ILE A 8 16.952 11.285 11.097 1.00 0.00 N ATOM 117 CA ILE A 8 17.549 10.675 9.909 1.00 0.00 C ATOM 118 C ILE A 8 16.479 9.969 9.081 1.00 0.00 C ATOM 119 O ILE A 8 16.776 9.345 8.063 1.00 0.00 O ATOM 120 CB ILE A 8 18.634 9.675 10.327 1.00 0.00 C ATOM 121 CG1 ILE A 8 18.035 8.602 11.245 1.00 0.00 C ATOM 122 CG2 ILE A 8 19.746 10.415 11.073 1.00 0.00 C ATOM 123 CD1 ILE A 8 19.078 7.513 11.500 1.00 0.00 C ATOM 0 H ILE A 8 16.874 10.658 11.898 1.00 0.00 H new ATOM 0 HA ILE A 8 18.000 11.459 9.300 1.00 0.00 H new ATOM 0 HB ILE A 8 19.041 9.197 9.436 1.00 0.00 H new ATOM 0 HG12 ILE A 8 17.721 9.049 12.188 1.00 0.00 H new ATOM 0 HG13 ILE A 8 17.146 8.169 10.786 1.00 0.00 H new ATOM 0 HG21 ILE A 8 20.518 9.706 11.371 1.00 0.00 H new ATOM 0 HG22 ILE A 8 20.181 11.172 10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 8 19.332 10.895 11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 8 18.655 6.749 12.152 1.00 0.00 H new ATOM 0 HD12 ILE A 8 19.370 7.060 10.553 1.00 0.00 H new ATOM 0 HD13 ILE A 8 19.954 7.953 11.977 1.00 0.00 H new ATOM 135 N VAL A 9 15.236 10.062 9.539 1.00 0.00 N ATOM 136 CA VAL A 9 14.119 9.423 8.854 1.00 0.00 C ATOM 137 C VAL A 9 13.967 9.965 7.434 1.00 0.00 C ATOM 138 O VAL A 9 13.698 9.208 6.501 1.00 0.00 O ATOM 139 CB VAL A 9 12.827 9.666 9.644 1.00 0.00 C ATOM 140 CG1 VAL A 9 11.618 9.185 8.835 1.00 0.00 C ATOM 141 CG2 VAL A 9 12.890 8.899 10.966 1.00 0.00 C ATOM 0 H VAL A 9 14.976 10.574 10.382 1.00 0.00 H new ATOM 0 HA VAL A 9 14.317 8.353 8.792 1.00 0.00 H new ATOM 0 HB VAL A 9 12.723 10.733 9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.706 9.362 9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.570 9.732 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.718 8.119 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.973 9.070 11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.998 7.833 10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.744 9.246 11.548 1.00 0.00 H new ATOM 151 N ALA A 10 14.116 11.276 7.277 1.00 0.00 N ATOM 152 CA ALA A 10 13.966 11.892 5.964 1.00 0.00 C ATOM 153 C ALA A 10 14.982 11.307 4.986 1.00 0.00 C ATOM 154 O ALA A 10 14.680 11.071 3.817 1.00 0.00 O ATOM 155 CB ALA A 10 14.165 13.405 6.067 1.00 0.00 C ATOM 0 H ALA A 10 14.338 11.925 8.032 1.00 0.00 H new ATOM 0 HA ALA A 10 12.960 11.687 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.051 13.855 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.422 13.824 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.164 13.615 6.448 1.00 0.00 H new ATOM 161 N LEU A 11 16.188 11.067 5.495 1.00 0.00 N ATOM 162 CA LEU A 11 17.257 10.494 4.686 1.00 0.00 C ATOM 163 C LEU A 11 16.852 9.108 4.193 1.00 0.00 C ATOM 164 O LEU A 11 17.012 8.789 3.017 1.00 0.00 O ATOM 165 CB LEU A 11 18.545 10.400 5.517 1.00 0.00 C ATOM 166 CG LEU A 11 19.681 9.774 4.691 1.00 0.00 C ATOM 167 CD1 LEU A 11 19.975 10.635 3.450 1.00 0.00 C ATOM 168 CD2 LEU A 11 20.937 9.687 5.565 1.00 0.00 C ATOM 0 H LEU A 11 16.448 11.260 6.462 1.00 0.00 H new ATOM 0 HA LEU A 11 17.435 11.137 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 11 18.839 11.394 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 11 18.365 9.801 6.409 1.00 0.00 H new ATOM 0 HG LEU A 11 19.384 8.778 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 11 20.781 10.180 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.080 10.700 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.273 11.636 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 11 21.750 9.244 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 11 21.224 10.687 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.731 9.068 6.438 1.00 0.00 H new ATOM 180 N VAL A 12 16.327 8.291 5.099 1.00 0.00 N ATOM 181 CA VAL A 12 15.910 6.941 4.732 1.00 0.00 C ATOM 182 C VAL A 12 14.834 7.014 3.654 1.00 0.00 C ATOM 183 O VAL A 12 14.873 6.262 2.681 1.00 0.00 O ATOM 184 CB VAL A 12 15.395 6.181 5.959 1.00 0.00 C ATOM 185 CG1 VAL A 12 14.762 4.856 5.522 1.00 0.00 C ATOM 186 CG2 VAL A 12 16.563 5.895 6.906 1.00 0.00 C ATOM 0 H VAL A 12 16.181 8.534 6.079 1.00 0.00 H new ATOM 0 HA VAL A 12 16.770 6.399 4.339 1.00 0.00 H new ATOM 0 HB VAL A 12 14.646 6.787 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.398 4.320 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.930 5.056 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.508 4.248 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 12 16.199 5.354 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 12 17.310 5.291 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.013 6.836 7.223 1.00 0.00 H new ATOM 196 N VAL A 13 13.880 7.920 3.822 1.00 0.00 N ATOM 197 CA VAL A 13 12.811 8.068 2.844 1.00 0.00 C ATOM 198 C VAL A 13 13.422 8.367 1.477 1.00 0.00 C ATOM 199 O VAL A 13 12.995 7.844 0.448 1.00 0.00 O ATOM 200 CB VAL A 13 11.905 9.233 3.259 1.00 0.00 C ATOM 201 CG1 VAL A 13 10.908 9.543 2.138 1.00 0.00 C ATOM 202 CG2 VAL A 13 11.138 8.851 4.528 1.00 0.00 C ATOM 0 H VAL A 13 13.824 8.557 4.617 1.00 0.00 H new ATOM 0 HA VAL A 13 12.227 7.149 2.794 1.00 0.00 H new ATOM 0 HB VAL A 13 12.517 10.114 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.267 10.372 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.451 9.815 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.295 8.663 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.493 9.677 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.530 7.968 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.845 8.636 5.329 1.00 0.00 H new ATOM 212 N ALA A 14 14.427 9.237 1.506 1.00 0.00 N ATOM 213 CA ALA A 14 15.122 9.656 0.293 1.00 0.00 C ATOM 214 C ALA A 14 15.745 8.449 -0.412 1.00 0.00 C ATOM 215 O ALA A 14 15.739 8.361 -1.639 1.00 0.00 O ATOM 216 CB ALA A 14 16.215 10.668 0.639 1.00 0.00 C ATOM 0 H ALA A 14 14.780 9.667 2.361 1.00 0.00 H new ATOM 0 HA ALA A 14 14.398 10.120 -0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.728 10.975 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.766 11.540 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.931 10.211 1.322 1.00 0.00 H new ATOM 222 N ILE A 15 16.284 7.526 0.376 1.00 0.00 N ATOM 223 CA ILE A 15 16.907 6.325 -0.175 1.00 0.00 C ATOM 224 C ILE A 15 15.877 5.446 -0.890 1.00 0.00 C ATOM 225 O ILE A 15 16.172 4.861 -1.932 1.00 0.00 O ATOM 226 CB ILE A 15 17.582 5.517 0.946 1.00 0.00 C ATOM 227 CG1 ILE A 15 18.759 6.312 1.548 1.00 0.00 C ATOM 228 CG2 ILE A 15 18.086 4.176 0.399 1.00 0.00 C ATOM 229 CD1 ILE A 15 19.817 6.652 0.484 1.00 0.00 C ATOM 0 H ILE A 15 16.303 7.584 1.394 1.00 0.00 H new ATOM 0 HA ILE A 15 17.657 6.640 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 15 16.847 5.330 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 15 18.385 7.232 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 15 19.220 5.732 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 15 18.562 3.612 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.246 3.605 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 15 18.809 4.356 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 15 20.630 7.212 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 15 20.209 5.731 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 15 19.362 7.255 -0.302 1.00 0.00 H new ATOM 241 N ILE A 16 14.684 5.325 -0.310 1.00 0.00 N ATOM 242 CA ILE A 16 13.647 4.475 -0.898 1.00 0.00 C ATOM 243 C ILE A 16 13.291 4.934 -2.312 1.00 0.00 C ATOM 244 O ILE A 16 13.260 4.130 -3.244 1.00 0.00 O ATOM 245 CB ILE A 16 12.386 4.550 -0.028 1.00 0.00 C ATOM 246 CG1 ILE A 16 12.673 3.993 1.382 1.00 0.00 C ATOM 247 CG2 ILE A 16 11.251 3.754 -0.681 1.00 0.00 C ATOM 248 CD1 ILE A 16 13.158 2.535 1.326 1.00 0.00 C ATOM 0 H ILE A 16 14.413 5.796 0.553 1.00 0.00 H new ATOM 0 HA ILE A 16 14.028 3.455 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 16 12.086 5.594 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.427 4.610 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.770 4.054 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.359 3.813 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.033 4.171 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.552 2.712 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.350 2.176 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.392 1.915 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 16 14.076 2.479 0.741 1.00 0.00 H new ATOM 260 N ILE A 17 13.000 6.222 -2.459 1.00 0.00 N ATOM 261 CA ILE A 17 12.622 6.758 -3.764 1.00 0.00 C ATOM 262 C ILE A 17 13.748 6.571 -4.776 1.00 0.00 C ATOM 263 O ILE A 17 13.502 6.400 -5.967 1.00 0.00 O ATOM 264 CB ILE A 17 12.254 8.239 -3.650 1.00 0.00 C ATOM 265 CG1 ILE A 17 13.406 9.010 -3.010 1.00 0.00 C ATOM 266 CG2 ILE A 17 11.003 8.387 -2.783 1.00 0.00 C ATOM 267 CD1 ILE A 17 13.145 10.512 -3.129 1.00 0.00 C ATOM 0 H ILE A 17 13.018 6.907 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 17 11.750 6.207 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 17 12.061 8.639 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.507 8.730 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.345 8.754 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.740 9.442 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.177 7.841 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.199 7.984 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.968 11.062 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.066 10.785 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 17 12.215 10.761 -2.619 1.00 0.00 H new ATOM 279 N ALA A 18 14.983 6.575 -4.289 1.00 0.00 N ATOM 280 CA ALA A 18 16.118 6.373 -5.180 1.00 0.00 C ATOM 281 C ALA A 18 16.000 4.993 -5.815 1.00 0.00 C ATOM 282 O ALA A 18 16.098 4.835 -7.032 1.00 0.00 O ATOM 283 CB ALA A 18 17.430 6.478 -4.399 1.00 0.00 C ATOM 0 H ALA A 18 15.221 6.712 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 18 16.117 7.140 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.270 6.325 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.505 7.466 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.451 5.718 -3.618 1.00 0.00 H new ATOM 289 N ILE A 19 15.793 3.998 -4.960 1.00 0.00 N ATOM 290 CA ILE A 19 15.663 2.616 -5.407 1.00 0.00 C ATOM 291 C ILE A 19 14.450 2.453 -6.322 1.00 0.00 C ATOM 292 O ILE A 19 14.541 1.813 -7.366 1.00 0.00 O ATOM 293 CB ILE A 19 15.529 1.681 -4.198 1.00 0.00 C ATOM 294 CG1 ILE A 19 16.817 1.716 -3.350 1.00 0.00 C ATOM 295 CG2 ILE A 19 15.252 0.250 -4.670 1.00 0.00 C ATOM 296 CD1 ILE A 19 18.046 1.300 -4.175 1.00 0.00 C ATOM 0 H ILE A 19 15.711 4.123 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 19 16.560 2.354 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 19 14.695 2.021 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.966 2.721 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.709 1.049 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.158 -0.407 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 19 14.325 0.229 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.075 -0.092 -5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 19 18.936 1.336 -3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 19 17.907 0.286 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 19 18.168 1.983 -5.016 1.00 0.00 H new ATOM 308 N VAL A 20 13.324 3.051 -5.942 1.00 0.00 N ATOM 309 CA VAL A 20 12.122 2.967 -6.770 1.00 0.00 C ATOM 310 C VAL A 20 12.361 3.678 -8.101 1.00 0.00 C ATOM 311 O VAL A 20 12.070 3.145 -9.172 1.00 0.00 O ATOM 312 CB VAL A 20 10.936 3.606 -6.040 1.00 0.00 C ATOM 313 CG1 VAL A 20 9.733 3.697 -6.982 1.00 0.00 C ATOM 314 CG2 VAL A 20 10.567 2.751 -4.826 1.00 0.00 C ATOM 0 H VAL A 20 13.217 3.590 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 20 11.894 1.918 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 20 11.213 4.608 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.893 4.152 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.994 4.307 -7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.454 2.697 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.723 3.204 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.294 1.749 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.420 2.691 -4.151 1.00 0.00 H new ATOM 324 N VAL A 21 12.901 4.885 -8.007 1.00 0.00 N ATOM 325 CA VAL A 21 13.200 5.696 -9.184 1.00 0.00 C ATOM 326 C VAL A 21 14.230 5.020 -10.088 1.00 0.00 C ATOM 327 O VAL A 21 14.068 5.032 -11.309 1.00 0.00 O ATOM 328 CB VAL A 21 13.701 7.082 -8.751 1.00 0.00 C ATOM 329 CG1 VAL A 21 14.239 7.850 -9.965 1.00 0.00 C ATOM 330 CG2 VAL A 21 12.541 7.873 -8.127 1.00 0.00 C ATOM 0 H VAL A 21 13.143 5.329 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 21 12.280 5.806 -9.758 1.00 0.00 H new ATOM 0 HB VAL A 21 14.501 6.958 -8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.592 8.831 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.064 7.294 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.444 7.971 -10.701 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.895 8.857 -7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.743 7.988 -8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.161 7.336 -7.258 1.00 0.00 H new ATOM 340 N TRP A 22 15.305 4.465 -9.529 1.00 0.00 N ATOM 341 CA TRP A 22 16.329 3.850 -10.374 1.00 0.00 C ATOM 342 C TRP A 22 15.909 2.450 -10.822 1.00 0.00 C ATOM 343 O TRP A 22 16.516 1.869 -11.721 1.00 0.00 O ATOM 344 CB TRP A 22 17.659 3.778 -9.617 1.00 0.00 C ATOM 345 CG TRP A 22 18.784 3.585 -10.584 1.00 0.00 C ATOM 346 CD1 TRP A 22 19.479 2.436 -10.748 1.00 0.00 C ATOM 347 CD2 TRP A 22 19.353 4.543 -11.524 1.00 0.00 C ATOM 348 NE1 TRP A 22 20.439 2.629 -11.725 1.00 0.00 N ATOM 349 CE2 TRP A 22 20.400 3.910 -12.234 1.00 0.00 C ATOM 350 CE3 TRP A 22 19.064 5.886 -11.825 1.00 0.00 C ATOM 351 CZ2 TRP A 22 21.135 4.587 -13.209 1.00 0.00 C ATOM 352 CZ3 TRP A 22 19.801 6.570 -12.806 1.00 0.00 C ATOM 353 CH2 TRP A 22 20.835 5.921 -13.496 1.00 0.00 C ATOM 0 H TRP A 22 15.488 4.428 -8.526 1.00 0.00 H new ATOM 0 HA TRP A 22 16.451 4.469 -11.263 1.00 0.00 H new ATOM 0 HB2 TRP A 22 17.812 4.693 -9.045 1.00 0.00 H new ATOM 0 HB3 TRP A 22 17.637 2.955 -8.902 1.00 0.00 H new ATOM 0 HD1 TRP A 22 19.312 1.518 -10.205 1.00 0.00 H new ATOM 0 HE1 TRP A 22 21.096 1.911 -12.032 1.00 0.00 H new ATOM 0 HE3 TRP A 22 18.270 6.395 -11.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 21.930 4.083 -13.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 19.570 7.601 -13.030 1.00 0.00 H new ATOM 0 HH2 TRP A 22 21.399 6.452 -14.249 1.00 0.00 H new ATOM 364 N SER A 23 14.865 1.913 -10.198 1.00 0.00 N ATOM 365 CA SER A 23 14.379 0.583 -10.556 1.00 0.00 C ATOM 366 C SER A 23 13.934 0.550 -12.016 1.00 0.00 C ATOM 367 O SER A 23 14.167 -0.433 -12.717 1.00 0.00 O ATOM 368 CB SER A 23 13.217 0.167 -9.652 1.00 0.00 C ATOM 369 OG SER A 23 12.762 -1.122 -10.039 1.00 0.00 O ATOM 0 H SER A 23 14.344 2.371 -9.450 1.00 0.00 H new ATOM 0 HA SER A 23 15.199 -0.122 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.537 0.155 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.405 0.890 -9.727 1.00 0.00 H new ATOM 0 HG SER A 23 12.018 -1.393 -9.461 1.00 0.00 H new ATOM 375 N ILE A 24 13.291 1.621 -12.470 1.00 0.00 N ATOM 376 CA ILE A 24 12.824 1.676 -13.851 1.00 0.00 C ATOM 377 C ILE A 24 14.017 1.528 -14.795 1.00 0.00 C ATOM 378 O ILE A 24 13.971 0.782 -15.772 1.00 0.00 O ATOM 379 CB ILE A 24 12.118 3.012 -14.109 1.00 0.00 C ATOM 380 CG1 ILE A 24 10.809 3.052 -13.318 1.00 0.00 C ATOM 381 CG2 ILE A 24 11.810 3.155 -15.603 1.00 0.00 C ATOM 382 CD1 ILE A 24 10.239 4.472 -13.344 1.00 0.00 C ATOM 0 H ILE A 24 13.084 2.450 -11.913 1.00 0.00 H new ATOM 0 HA ILE A 24 12.119 0.864 -14.028 1.00 0.00 H new ATOM 0 HB ILE A 24 12.766 3.830 -13.794 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.091 2.353 -13.747 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.984 2.738 -12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.308 4.106 -15.782 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.740 3.123 -16.171 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.162 2.338 -15.921 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.306 4.500 -12.780 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.955 5.160 -12.895 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.049 4.769 -14.375 1.00 0.00 H new ATOM 394 N VAL A 25 15.093 2.225 -14.456 1.00 0.00 N ATOM 395 CA VAL A 25 16.327 2.163 -15.233 1.00 0.00 C ATOM 396 C VAL A 25 16.884 0.739 -15.232 1.00 0.00 C ATOM 397 O VAL A 25 17.248 0.212 -16.282 1.00 0.00 O ATOM 398 CB VAL A 25 17.362 3.120 -14.630 1.00 0.00 C ATOM 399 CG1 VAL A 25 18.721 2.915 -15.304 1.00 0.00 C ATOM 400 CG2 VAL A 25 16.903 4.565 -14.846 1.00 0.00 C ATOM 0 H VAL A 25 15.138 2.842 -13.645 1.00 0.00 H new ATOM 0 HA VAL A 25 16.112 2.457 -16.260 1.00 0.00 H new ATOM 0 HB VAL A 25 17.457 2.917 -13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.450 3.599 -14.869 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.052 1.888 -15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.631 3.112 -16.372 1.00 0.00 H new ATOM 0 HG21 VAL A 25 17.637 5.248 -14.418 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.805 4.760 -15.914 1.00 0.00 H new ATOM 0 HG23 VAL A 25 15.939 4.717 -14.360 1.00 0.00 H new ATOM 410 N ILE A 26 16.987 0.137 -14.053 1.00 0.00 N ATOM 411 CA ILE A 26 17.553 -1.207 -13.975 1.00 0.00 C ATOM 412 C ILE A 26 16.733 -2.192 -14.812 1.00 0.00 C ATOM 413 O ILE A 26 17.289 -2.914 -15.640 1.00 0.00 O ATOM 414 CB ILE A 26 17.590 -1.674 -12.515 1.00 0.00 C ATOM 415 CG1 ILE A 26 18.609 -0.834 -11.738 1.00 0.00 C ATOM 416 CG2 ILE A 26 18.000 -3.150 -12.450 1.00 0.00 C ATOM 417 CD1 ILE A 26 18.455 -1.094 -10.236 1.00 0.00 C ATOM 0 H ILE A 26 16.697 0.541 -13.163 1.00 0.00 H new ATOM 0 HA ILE A 26 18.568 -1.176 -14.372 1.00 0.00 H new ATOM 0 HB ILE A 26 16.600 -1.554 -12.076 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.620 -1.084 -12.058 1.00 0.00 H new ATOM 0 HG13 ILE A 26 18.460 0.225 -11.951 1.00 0.00 H new ATOM 0 HG21 ILE A 26 18.024 -3.475 -11.410 1.00 0.00 H new ATOM 0 HG22 ILE A 26 17.279 -3.753 -13.002 1.00 0.00 H new ATOM 0 HG23 ILE A 26 18.989 -3.273 -12.892 1.00 0.00 H new ATOM 0 HD11 ILE A 26 19.181 -0.495 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 26 17.448 -0.822 -9.921 1.00 0.00 H new ATOM 0 HD13 ILE A 26 18.626 -2.151 -10.030 1.00 0.00 H new ATOM 429 N ILE A 27 15.422 -2.239 -14.591 1.00 0.00 N ATOM 430 CA ILE A 27 14.575 -3.169 -15.334 1.00 0.00 C ATOM 431 C ILE A 27 14.409 -2.743 -16.793 1.00 0.00 C ATOM 432 O ILE A 27 14.384 -3.586 -17.690 1.00 0.00 O ATOM 433 CB ILE A 27 13.198 -3.265 -14.668 1.00 0.00 C ATOM 434 CG1 ILE A 27 12.406 -4.423 -15.286 1.00 0.00 C ATOM 435 CG2 ILE A 27 12.432 -1.956 -14.875 1.00 0.00 C ATOM 436 CD1 ILE A 27 11.159 -4.692 -14.442 1.00 0.00 C ATOM 0 H ILE A 27 14.929 -1.655 -13.915 1.00 0.00 H new ATOM 0 HA ILE A 27 15.063 -4.143 -15.321 1.00 0.00 H new ATOM 0 HB ILE A 27 13.328 -3.443 -13.601 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.120 -4.178 -16.309 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.026 -5.318 -15.334 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.454 -2.028 -14.400 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.991 -1.133 -14.430 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.305 -1.774 -15.942 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.594 -5.515 -14.880 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.456 -4.955 -13.427 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.537 -3.798 -14.417 1.00 0.00 H new ATOM 448 N GLU A 28 14.284 -1.434 -17.025 1.00 0.00 N ATOM 449 CA GLU A 28 14.105 -0.908 -18.385 1.00 0.00 C ATOM 450 C GLU A 28 15.281 -0.012 -18.767 1.00 0.00 C ATOM 451 O GLU A 28 15.713 0.830 -17.982 1.00 0.00 O ATOM 452 CB GLU A 28 12.795 -0.111 -18.465 1.00 0.00 C ATOM 453 CG GLU A 28 12.556 0.375 -19.899 1.00 0.00 C ATOM 454 CD GLU A 28 12.374 -0.818 -20.831 1.00 0.00 C ATOM 455 OE1 GLU A 28 12.062 -1.889 -20.336 1.00 0.00 O ATOM 456 OE2 GLU A 28 12.549 -0.644 -22.025 1.00 0.00 O1- ATOM 0 H GLU A 28 14.303 -0.721 -16.296 1.00 0.00 H new ATOM 0 HA GLU A 28 14.062 -1.745 -19.082 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.962 -0.734 -18.141 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.838 0.741 -17.787 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.672 1.012 -19.933 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.399 0.981 -20.231 1.00 0.00 H new ATOM 463 N TYR A 29 15.794 -0.208 -19.977 1.00 0.00 N ATOM 464 CA TYR A 29 16.924 0.580 -20.455 1.00 0.00 C ATOM 465 C TYR A 29 16.483 1.985 -20.858 1.00 0.00 C ATOM 466 O TYR A 29 15.400 2.178 -21.410 1.00 0.00 O ATOM 467 CB TYR A 29 17.574 -0.115 -21.653 1.00 0.00 C ATOM 468 CG TYR A 29 18.252 -1.382 -21.191 1.00 0.00 C ATOM 469 CD1 TYR A 29 19.583 -1.346 -20.761 1.00 0.00 C ATOM 470 CD2 TYR A 29 17.550 -2.594 -21.194 1.00 0.00 C ATOM 471 CE1 TYR A 29 20.213 -2.520 -20.332 1.00 0.00 C ATOM 472 CE2 TYR A 29 18.180 -3.769 -20.766 1.00 0.00 C ATOM 473 CZ TYR A 29 19.511 -3.732 -20.335 1.00 0.00 C ATOM 474 OH TYR A 29 20.132 -4.890 -19.912 1.00 0.00 O ATOM 0 H TYR A 29 15.448 -0.901 -20.641 1.00 0.00 H new ATOM 0 HA TYR A 29 17.646 0.664 -19.643 1.00 0.00 H new ATOM 0 HB2 TYR A 29 16.821 -0.347 -22.406 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.300 0.549 -22.122 1.00 0.00 H new ATOM 0 HD1 TYR A 29 20.125 -0.412 -20.760 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.523 -2.622 -21.526 1.00 0.00 H new ATOM 0 HE1 TYR A 29 21.240 -2.491 -19.999 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.639 -4.704 -20.768 1.00 0.00 H new ATOM 0 HH TYR A 29 19.504 -5.640 -19.976 1.00 0.00 H new ATOM 484 N ARG A 30 17.340 2.959 -20.573 1.00 0.00 N ATOM 485 CA ARG A 30 17.061 4.354 -20.898 1.00 0.00 C ATOM 486 C ARG A 30 16.927 4.556 -22.407 1.00 0.00 C ATOM 487 O ARG A 30 16.116 5.360 -22.864 1.00 0.00 O ATOM 488 CB ARG A 30 18.179 5.250 -20.359 1.00 0.00 C ATOM 489 CG ARG A 30 17.858 6.714 -20.670 1.00 0.00 C ATOM 490 CD ARG A 30 18.872 7.620 -19.971 1.00 0.00 C ATOM 491 NE ARG A 30 18.692 7.554 -18.525 1.00 0.00 N ATOM 492 CZ ARG A 30 19.501 8.213 -17.701 1.00 0.00 C ATOM 493 NH1 ARG A 30 20.480 8.931 -18.182 1.00 0.00 N ATOM 494 NH2 ARG A 30 19.318 8.142 -16.411 1.00 0.00 N1+ ATOM 0 H ARG A 30 18.239 2.807 -20.115 1.00 0.00 H new ATOM 0 HA ARG A 30 16.115 4.625 -20.430 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.284 5.111 -19.283 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.131 4.972 -20.811 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.886 6.882 -21.747 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.849 6.955 -20.336 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.885 7.315 -20.233 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.750 8.647 -20.314 1.00 0.00 H new ATOM 0 HE ARG A 30 17.933 6.993 -18.139 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.624 8.986 -19.190 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.100 9.436 -17.549 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.554 7.581 -16.034 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.939 8.648 -15.779 1.00 0.00 H new ATOM 508 N LYS A 31 17.749 3.844 -23.170 1.00 0.00 N ATOM 509 CA LYS A 31 17.736 3.977 -24.624 1.00 0.00 C ATOM 510 C LYS A 31 16.365 3.635 -25.202 1.00 0.00 C ATOM 511 O LYS A 31 15.899 4.298 -26.128 1.00 0.00 O ATOM 512 CB LYS A 31 18.793 3.052 -25.235 1.00 0.00 C ATOM 513 CG LYS A 31 20.193 3.586 -24.909 1.00 0.00 C ATOM 514 CD LYS A 31 21.264 2.784 -25.662 1.00 0.00 C ATOM 515 CE LYS A 31 21.412 1.386 -25.052 1.00 0.00 C ATOM 516 NZ LYS A 31 22.589 0.706 -25.662 1.00 0.00 N1+ ATOM 0 H LYS A 31 18.428 3.173 -22.810 1.00 0.00 H new ATOM 0 HA LYS A 31 17.961 5.015 -24.870 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.677 2.042 -24.843 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.658 2.992 -26.315 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.260 4.639 -25.183 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.371 3.524 -23.836 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.993 2.702 -26.714 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.218 3.309 -25.619 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.539 1.459 -23.972 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.508 0.802 -25.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.693 -0.243 -25.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 22.449 0.625 -26.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 23.448 1.261 -25.472 1.00 0.00 H new ATOM 530 N ILE A 32 15.715 2.607 -24.656 1.00 0.00 N ATOM 531 CA ILE A 32 14.387 2.206 -25.138 1.00 0.00 C ATOM 532 C ILE A 32 13.445 1.960 -23.964 1.00 0.00 C ATOM 533 O ILE A 32 13.698 1.102 -23.118 1.00 0.00 O ATOM 534 CB ILE A 32 14.506 0.935 -25.988 1.00 0.00 C ATOM 535 CG1 ILE A 32 13.136 0.590 -26.579 1.00 0.00 C ATOM 536 CG2 ILE A 32 15.007 -0.233 -25.128 1.00 0.00 C ATOM 537 CD1 ILE A 32 13.302 -0.473 -27.667 1.00 0.00 C ATOM 0 H ILE A 32 16.078 2.041 -23.889 1.00 0.00 H new ATOM 0 HA ILE A 32 13.978 3.011 -25.749 1.00 0.00 H new ATOM 0 HB ILE A 32 15.220 1.109 -26.793 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.472 0.223 -25.796 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.673 1.484 -26.997 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.087 -1.129 -25.743 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.985 0.013 -24.715 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.305 -0.413 -24.314 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.327 -0.719 -28.088 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.951 -0.089 -28.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.747 -1.369 -27.235 1.00 0.00 H new ATOM 549 N LEU A 33 12.358 2.726 -23.916 1.00 0.00 N ATOM 550 CA LEU A 33 11.383 2.589 -22.840 1.00 0.00 C ATOM 551 C LEU A 33 10.676 1.239 -22.909 1.00 0.00 C ATOM 552 O LEU A 33 10.442 0.598 -21.886 1.00 0.00 O ATOM 553 CB LEU A 33 10.342 3.709 -22.937 1.00 0.00 C ATOM 554 CG LEU A 33 10.981 5.065 -22.596 1.00 0.00 C ATOM 555 CD1 LEU A 33 9.990 6.182 -22.938 1.00 0.00 C ATOM 556 CD2 LEU A 33 11.341 5.134 -21.095 1.00 0.00 C ATOM 0 H LEU A 33 12.132 3.443 -24.605 1.00 0.00 H new ATOM 0 HA LEU A 33 11.915 2.656 -21.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.924 3.740 -23.943 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.516 3.507 -22.255 1.00 0.00 H new ATOM 0 HG LEU A 33 11.896 5.184 -23.176 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.434 7.148 -22.699 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.752 6.144 -24.001 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.077 6.049 -22.357 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.792 6.101 -20.873 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.438 5.009 -20.498 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.048 4.340 -20.853 1.00 0.00 H new ATOM 568 N ARG A 34 10.331 0.812 -24.120 1.00 0.00 N ATOM 569 CA ARG A 34 9.643 -0.464 -24.304 1.00 0.00 C ATOM 570 C ARG A 34 8.281 -0.463 -23.594 1.00 0.00 C ATOM 571 O ARG A 34 7.468 -1.366 -23.790 1.00 0.00 O ATOM 572 CB ARG A 34 10.514 -1.599 -23.752 1.00 0.00 C ATOM 573 CG ARG A 34 10.084 -2.940 -24.355 1.00 0.00 C ATOM 574 CD ARG A 34 10.785 -4.079 -23.613 1.00 0.00 C ATOM 575 NE ARG A 34 10.262 -4.193 -22.257 1.00 0.00 N ATOM 576 CZ ARG A 34 10.838 -4.990 -21.363 1.00 0.00 C ATOM 577 NH1 ARG A 34 11.890 -5.690 -21.692 1.00 0.00 N ATOM 578 NH2 ARG A 34 10.352 -5.074 -20.155 1.00 0.00 N1+ ATOM 0 H ARG A 34 10.514 1.325 -24.983 1.00 0.00 H new ATOM 0 HA ARG A 34 9.472 -0.614 -25.370 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.562 -1.408 -23.983 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.429 -1.637 -22.666 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.003 -3.054 -24.281 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.336 -2.972 -25.415 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.637 -5.017 -24.148 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.859 -3.896 -23.582 1.00 0.00 H new ATOM 0 HE ARG A 34 9.440 -3.652 -21.990 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.271 -5.625 -22.636 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.331 -6.301 -21.005 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.530 -4.528 -19.897 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.794 -5.686 -19.469 1.00 0.00 H new ATOM 592 N GLN A 35 8.043 0.553 -22.766 1.00 0.00 N ATOM 593 CA GLN A 35 6.791 0.665 -22.023 1.00 0.00 C ATOM 594 C GLN A 35 5.592 0.839 -22.950 1.00 0.00 C ATOM 595 O GLN A 35 4.510 0.322 -22.679 1.00 0.00 O ATOM 596 CB GLN A 35 6.862 1.853 -21.061 1.00 0.00 C ATOM 597 CG GLN A 35 7.839 1.539 -19.928 1.00 0.00 C ATOM 598 CD GLN A 35 8.076 2.786 -19.083 1.00 0.00 C ATOM 599 OE1 GLN A 35 7.992 3.905 -19.588 1.00 0.00 O ATOM 600 NE2 GLN A 35 8.368 2.659 -17.817 1.00 0.00 N ATOM 0 H GLN A 35 8.703 1.311 -22.593 1.00 0.00 H new ATOM 0 HA GLN A 35 6.657 -0.263 -21.467 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.184 2.747 -21.595 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.873 2.064 -20.654 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.441 0.738 -19.305 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.784 1.184 -20.339 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.437 1.731 -17.400 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.527 3.488 -17.245 1.00 0.00 H new ATOM 609 N ARG A 36 5.773 1.594 -24.026 1.00 0.00 N ATOM 610 CA ARG A 36 4.673 1.850 -24.950 1.00 0.00 C ATOM 611 C ARG A 36 4.137 0.545 -25.537 1.00 0.00 C ATOM 612 O ARG A 36 2.949 0.437 -25.836 1.00 0.00 O ATOM 613 CB ARG A 36 5.116 2.798 -26.064 1.00 0.00 C ATOM 614 CG ARG A 36 5.357 4.192 -25.481 1.00 0.00 C ATOM 615 CD ARG A 36 6.008 5.085 -26.539 1.00 0.00 C ATOM 616 NE ARG A 36 7.357 4.615 -26.833 1.00 0.00 N ATOM 617 CZ ARG A 36 8.103 5.201 -27.764 1.00 0.00 C ATOM 618 NH1 ARG A 36 7.632 6.219 -28.431 1.00 0.00 N ATOM 619 NH2 ARG A 36 9.306 4.761 -28.009 1.00 0.00 N1+ ATOM 0 H ARG A 36 6.657 2.035 -24.279 1.00 0.00 H new ATOM 0 HA ARG A 36 3.867 2.326 -24.392 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.027 2.425 -26.532 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.354 2.844 -26.842 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.413 4.628 -25.153 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.999 4.124 -24.603 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.407 5.081 -27.449 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.043 6.115 -26.185 1.00 0.00 H new ATOM 0 HE ARG A 36 7.735 3.822 -26.315 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.692 6.564 -28.238 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.204 6.669 -29.146 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.675 3.967 -27.486 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.878 5.211 -28.724 1.00 0.00 H new ATOM 633 N LYS A 37 5.003 -0.448 -25.693 1.00 0.00 N ATOM 634 CA LYS A 37 4.564 -1.732 -26.233 1.00 0.00 C ATOM 635 C LYS A 37 3.488 -2.331 -25.327 1.00 0.00 C ATOM 636 O LYS A 37 2.513 -2.908 -25.803 1.00 0.00 O ATOM 637 CB LYS A 37 5.747 -2.695 -26.340 1.00 0.00 C ATOM 638 CG LYS A 37 6.691 -2.224 -27.448 1.00 0.00 C ATOM 639 CD LYS A 37 7.867 -3.196 -27.564 1.00 0.00 C ATOM 640 CE LYS A 37 8.825 -2.709 -28.652 1.00 0.00 C ATOM 641 NZ LYS A 37 8.123 -2.707 -29.967 1.00 0.00 N1+ ATOM 0 H LYS A 37 5.994 -0.394 -25.459 1.00 0.00 H new ATOM 0 HA LYS A 37 4.151 -1.573 -27.229 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.279 -2.741 -25.390 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.391 -3.703 -26.555 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.157 -2.168 -28.396 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.055 -1.220 -27.228 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.389 -3.267 -26.610 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.504 -4.195 -27.804 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.181 -1.706 -28.416 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.701 -3.356 -28.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.824 -2.712 -30.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.523 -3.553 -30.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.532 -1.855 -30.043 1.00 0.00 H new ATOM 655 N ILE A 38 3.668 -2.173 -24.019 1.00 0.00 N ATOM 656 CA ILE A 38 2.701 -2.681 -23.047 1.00 0.00 C ATOM 657 C ILE A 38 1.350 -1.990 -23.238 1.00 0.00 C ATOM 658 O ILE A 38 0.297 -2.614 -23.120 1.00 0.00 O ATOM 659 CB ILE A 38 3.214 -2.444 -21.622 1.00 0.00 C ATOM 660 CG1 ILE A 38 4.444 -3.320 -21.374 1.00 0.00 C ATOM 661 CG2 ILE A 38 2.122 -2.814 -20.613 1.00 0.00 C ATOM 662 CD1 ILE A 38 5.122 -2.894 -20.071 1.00 0.00 C ATOM 0 H ILE A 38 4.472 -1.699 -23.607 1.00 0.00 H new ATOM 0 HA ILE A 38 2.574 -3.752 -23.204 1.00 0.00 H new ATOM 0 HB ILE A 38 3.478 -1.393 -21.504 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.151 -4.368 -21.318 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.142 -3.228 -22.206 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.489 -2.645 -19.601 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.241 -2.196 -20.787 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.858 -3.865 -20.732 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.998 -3.519 -19.895 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.429 -1.851 -20.145 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.423 -3.009 -19.243 1.00 0.00 H new ATOM 674 N ASP A 39 1.398 -0.691 -23.519 1.00 0.00 N ATOM 675 CA ASP A 39 0.183 0.100 -23.711 1.00 0.00 C ATOM 676 C ASP A 39 -0.624 -0.414 -24.902 1.00 0.00 C ATOM 677 O ASP A 39 -1.801 -0.087 -25.047 1.00 0.00 O ATOM 678 CB ASP A 39 0.542 1.572 -23.931 1.00 0.00 C ATOM 679 CG ASP A 39 1.041 2.188 -22.628 1.00 0.00 C ATOM 680 OD1 ASP A 39 0.861 1.567 -21.594 1.00 0.00 O ATOM 681 OD2 ASP A 39 1.597 3.273 -22.684 1.00 0.00 O1- ATOM 0 H ASP A 39 2.265 -0.162 -23.619 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.426 0.005 -22.812 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.310 1.657 -24.700 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.330 2.118 -24.290 1.00 0.00 H new ATOM 686 N ARG A 40 0.004 -1.233 -25.741 1.00 0.00 N ATOM 687 CA ARG A 40 -0.693 -1.792 -26.900 1.00 0.00 C ATOM 688 C ARG A 40 -1.485 -3.022 -26.466 1.00 0.00 C ATOM 689 O ARG A 40 -2.327 -3.532 -27.205 1.00 0.00 O ATOM 690 CB ARG A 40 0.309 -2.179 -27.990 1.00 0.00 C ATOM 691 CG ARG A 40 1.055 -0.931 -28.465 1.00 0.00 C ATOM 692 CD ARG A 40 2.033 -1.313 -29.576 1.00 0.00 C ATOM 693 NE ARG A 40 1.305 -1.746 -30.764 1.00 0.00 N ATOM 694 CZ ARG A 40 0.795 -0.864 -31.618 1.00 0.00 C ATOM 695 NH1 ARG A 40 0.943 0.415 -31.401 1.00 0.00 N ATOM 696 NH2 ARG A 40 0.147 -1.277 -32.672 1.00 0.00 N1+ ATOM 0 H ARG A 40 0.978 -1.522 -25.645 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.372 -1.041 -27.304 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.016 -2.913 -27.604 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.210 -2.646 -28.827 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.346 -0.188 -28.830 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.593 -0.477 -27.633 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.667 -0.461 -29.820 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.690 -2.112 -29.233 1.00 0.00 H new ATOM 0 HE ARG A 40 1.185 -2.743 -30.942 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.450 0.737 -30.576 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.552 1.092 -32.056 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.032 -2.276 -32.841 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.244 -0.601 -33.327 1.00 0.00 H new ATOM 710 N LEU A 41 -1.209 -3.479 -25.260 1.00 0.00 N ATOM 711 CA LEU A 41 -1.904 -4.627 -24.685 1.00 0.00 C ATOM 712 C LEU A 41 -3.401 -4.450 -24.768 1.00 0.00 C ATOM 713 O LEU A 41 -4.149 -5.397 -25.005 1.00 0.00 O ATOM 714 CB LEU A 41 -1.453 -4.858 -23.214 1.00 0.00 C ATOM 715 CG LEU A 41 -0.010 -5.375 -22.965 1.00 0.00 C ATOM 716 CD1 LEU A 41 0.298 -5.376 -21.461 1.00 0.00 C ATOM 717 CD2 LEU A 41 0.226 -6.780 -23.544 1.00 0.00 C ATOM 0 H LEU A 41 -0.501 -3.071 -24.649 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.640 -5.511 -25.266 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.567 -3.916 -22.678 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.145 -5.568 -22.761 1.00 0.00 H new ATOM 0 HG LEU A 41 0.664 -4.694 -23.484 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.312 -5.740 -21.298 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.209 -4.362 -21.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.409 -6.026 -20.945 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.251 -7.090 -23.340 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.465 -7.485 -23.082 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.060 -6.762 -24.621 1.00 0.00 H new ATOM 729 N ILE A 42 -3.848 -3.221 -24.516 1.00 0.00 N ATOM 730 CA ILE A 42 -5.273 -2.912 -24.536 1.00 0.00 C ATOM 731 C ILE A 42 -5.871 -3.198 -25.913 1.00 0.00 C ATOM 732 O ILE A 42 -6.961 -3.759 -26.019 1.00 0.00 O ATOM 733 CB ILE A 42 -5.488 -1.439 -24.169 1.00 0.00 C ATOM 734 CG1 ILE A 42 -5.117 -1.226 -22.700 1.00 0.00 C ATOM 735 CG2 ILE A 42 -6.958 -1.059 -24.378 1.00 0.00 C ATOM 736 CD1 ILE A 42 -5.055 0.274 -22.399 1.00 0.00 C ATOM 0 H ILE A 42 -3.246 -2.428 -24.297 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.776 -3.546 -23.805 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.861 -0.815 -24.805 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.853 -1.707 -22.055 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.154 -1.690 -22.486 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.104 -0.011 -24.115 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.228 -1.212 -25.423 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.589 -1.683 -23.745 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.791 0.424 -21.352 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.303 0.742 -23.034 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.027 0.725 -22.596 1.00 0.00 H new ATOM 748 N ASP A 43 -5.158 -2.804 -26.963 1.00 0.00 N ATOM 749 CA ASP A 43 -5.641 -3.019 -28.324 1.00 0.00 C ATOM 750 C ASP A 43 -5.841 -4.507 -28.598 1.00 0.00 C ATOM 751 O ASP A 43 -6.811 -4.901 -29.247 1.00 0.00 O ATOM 752 CB ASP A 43 -4.649 -2.437 -29.332 1.00 0.00 C ATOM 753 CG ASP A 43 -5.202 -2.574 -30.746 1.00 0.00 C ATOM 754 OD1 ASP A 43 -6.220 -3.228 -30.902 1.00 0.00 O1- ATOM 755 OD2 ASP A 43 -4.599 -2.022 -31.652 1.00 0.00 O ATOM 0 H ASP A 43 -4.253 -2.339 -26.900 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.601 -2.513 -28.430 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.462 -1.387 -29.106 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.693 -2.955 -29.255 1.00 0.00 H new ATOM 760 N ARG A 44 -4.924 -5.330 -28.102 1.00 0.00 N ATOM 761 CA ARG A 44 -5.021 -6.772 -28.304 1.00 0.00 C ATOM 762 C ARG A 44 -6.282 -7.330 -27.648 1.00 0.00 C ATOM 763 O ARG A 44 -6.922 -8.220 -28.205 1.00 0.00 O ATOM 764 CB ARG A 44 -3.782 -7.486 -27.760 1.00 0.00 C ATOM 765 CG ARG A 44 -2.579 -7.171 -28.652 1.00 0.00 C ATOM 766 CD ARG A 44 -1.382 -8.015 -28.210 1.00 0.00 C ATOM 767 NE ARG A 44 -0.943 -7.614 -26.880 1.00 0.00 N ATOM 768 CZ ARG A 44 -0.019 -8.308 -26.223 1.00 0.00 C ATOM 769 NH1 ARG A 44 0.510 -9.368 -26.769 1.00 0.00 N ATOM 770 NH2 ARG A 44 0.357 -7.930 -25.032 1.00 0.00 N1+ ATOM 0 H ARG A 44 -4.113 -5.028 -27.562 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.080 -6.953 -29.377 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.584 -7.165 -26.737 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.953 -8.562 -27.729 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.821 -7.381 -29.694 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.333 -6.111 -28.589 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.654 -9.071 -28.208 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.564 -7.898 -28.921 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.352 -6.787 -26.446 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.215 -9.664 -27.699 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.219 -9.901 -26.266 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.058 -7.102 -24.605 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.066 -8.463 -24.528 1.00 0.00 H new ATOM 784 N LEU A 45 -6.659 -6.809 -26.485 1.00 0.00 N ATOM 785 CA LEU A 45 -7.868 -7.305 -25.837 1.00 0.00 C ATOM 786 C LEU A 45 -9.050 -7.071 -26.773 1.00 0.00 C ATOM 787 O LEU A 45 -9.885 -7.951 -26.975 1.00 0.00 O ATOM 788 CB LEU A 45 -8.103 -6.567 -24.514 1.00 0.00 C ATOM 789 CG LEU A 45 -7.036 -6.968 -23.484 1.00 0.00 C ATOM 790 CD1 LEU A 45 -7.155 -6.053 -22.261 1.00 0.00 C ATOM 791 CD2 LEU A 45 -7.224 -8.438 -23.052 1.00 0.00 C ATOM 0 H LEU A 45 -6.165 -6.069 -25.986 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.760 -8.369 -25.625 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.072 -5.490 -24.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.096 -6.802 -24.130 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.049 -6.864 -23.934 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.401 -6.330 -21.524 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.001 -5.018 -22.565 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.147 -6.159 -21.822 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.459 -8.703 -22.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.210 -8.563 -22.605 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.136 -9.087 -23.923 1.00 0.00 H new ATOM 803 N ILE A 46 -9.088 -5.881 -27.358 1.00 0.00 N ATOM 804 CA ILE A 46 -10.141 -5.523 -28.302 1.00 0.00 C ATOM 805 C ILE A 46 -10.097 -6.453 -29.513 1.00 0.00 C ATOM 806 O ILE A 46 -11.134 -6.932 -29.974 1.00 0.00 O ATOM 807 CB ILE A 46 -9.961 -4.070 -28.754 1.00 0.00 C ATOM 808 CG1 ILE A 46 -10.238 -3.135 -27.573 1.00 0.00 C ATOM 809 CG2 ILE A 46 -10.944 -3.754 -29.886 1.00 0.00 C ATOM 810 CD1 ILE A 46 -9.792 -1.715 -27.928 1.00 0.00 C ATOM 0 H ILE A 46 -8.401 -5.145 -27.196 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.108 -5.628 -27.811 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.940 -3.927 -29.109 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.301 -3.143 -27.331 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.706 -3.483 -26.688 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.812 -2.720 -30.204 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.755 -4.420 -30.728 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.965 -3.898 -29.532 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.990 -1.051 -27.087 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.725 -1.713 -28.149 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.344 -1.368 -28.802 1.00 0.00 H new ATOM 822 N GLU A 47 -8.897 -6.704 -30.026 1.00 0.00 N ATOM 823 CA GLU A 47 -8.742 -7.578 -31.185 1.00 0.00 C ATOM 824 C GLU A 47 -9.241 -8.986 -30.865 1.00 0.00 C ATOM 825 O GLU A 47 -9.895 -9.623 -31.689 1.00 0.00 O ATOM 826 CB GLU A 47 -7.272 -7.630 -31.611 1.00 0.00 C ATOM 827 CG GLU A 47 -7.125 -8.496 -32.865 1.00 0.00 C ATOM 828 CD GLU A 47 -5.675 -8.492 -33.334 1.00 0.00 C ATOM 829 OE1 GLU A 47 -4.867 -7.841 -32.691 1.00 0.00 O ATOM 830 OE2 GLU A 47 -5.392 -9.139 -34.328 1.00 0.00 O1- ATOM 0 H GLU A 47 -8.025 -6.319 -29.662 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.337 -7.175 -32.004 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.905 -6.623 -31.809 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.664 -8.038 -30.803 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.444 -9.516 -32.652 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.773 -8.118 -33.656 1.00 0.00 H new ATOM 837 N ARG A 48 -8.922 -9.466 -29.666 1.00 0.00 N ATOM 838 CA ARG A 48 -9.342 -10.805 -29.259 1.00 0.00 C ATOM 839 C ARG A 48 -10.860 -10.885 -29.142 1.00 0.00 C ATOM 840 O ARG A 48 -11.456 -11.910 -29.469 1.00 0.00 O ATOM 841 CB ARG A 48 -8.709 -11.158 -27.912 1.00 0.00 C ATOM 842 CG ARG A 48 -7.204 -11.374 -28.092 1.00 0.00 C ATOM 843 CD ARG A 48 -6.543 -11.533 -26.722 1.00 0.00 C ATOM 844 NE ARG A 48 -7.062 -12.715 -26.044 1.00 0.00 N ATOM 845 CZ ARG A 48 -6.764 -12.965 -24.774 1.00 0.00 C ATOM 846 NH1 ARG A 48 -5.995 -12.145 -24.110 1.00 0.00 N ATOM 847 NH2 ARG A 48 -7.240 -14.030 -24.189 1.00 0.00 N1+ ATOM 0 H ARG A 48 -8.381 -8.956 -28.967 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.012 -11.514 -30.019 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.888 -10.358 -27.194 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.170 -12.059 -27.507 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.023 -12.261 -28.700 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.766 -10.529 -28.623 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.463 -11.618 -26.840 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.729 -10.646 -26.116 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.664 -13.361 -26.554 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.623 -11.312 -24.567 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.766 -12.337 -23.135 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.841 -14.671 -24.707 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.011 -14.222 -23.214 1.00 0.00 H new ATOM 861 N ALA A 49 -11.485 -9.797 -28.700 1.00 0.00 N ATOM 862 CA ALA A 49 -12.940 -9.765 -28.574 1.00 0.00 C ATOM 863 C ALA A 49 -13.398 -8.450 -27.947 1.00 0.00 C ATOM 864 O ALA A 49 -12.752 -7.928 -27.038 1.00 0.00 O ATOM 865 CB ALA A 49 -13.424 -10.948 -27.720 1.00 0.00 C ATOM 0 H ALA A 49 -11.014 -8.935 -28.426 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.372 -9.844 -29.572 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.510 -10.914 -27.633 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.127 -11.884 -28.193 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.978 -10.886 -26.727 1.00 0.00 H new ATOM 871 N GLU A 50 -14.524 -7.930 -28.424 1.00 0.00 N ATOM 872 CA GLU A 50 -15.062 -6.687 -27.885 1.00 0.00 C ATOM 873 C GLU A 50 -15.427 -6.885 -26.417 1.00 0.00 C ATOM 874 O GLU A 50 -15.152 -6.032 -25.574 1.00 0.00 O ATOM 875 CB GLU A 50 -16.303 -6.267 -28.684 1.00 0.00 C ATOM 876 CG GLU A 50 -16.862 -4.945 -28.145 1.00 0.00 C ATOM 877 CD GLU A 50 -15.835 -3.829 -28.317 1.00 0.00 C ATOM 878 OE1 GLU A 50 -14.955 -3.986 -29.147 1.00 0.00 O1- ATOM 879 OE2 GLU A 50 -15.947 -2.835 -27.620 1.00 0.00 O ATOM 0 H GLU A 50 -15.076 -8.345 -29.175 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.310 -5.902 -27.965 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.046 -6.158 -29.738 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.065 -7.044 -28.621 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.781 -4.688 -28.673 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.119 -5.053 -27.091 1.00 0.00 H new ATOM 886 N ASP A 51 -16.043 -8.029 -26.125 1.00 0.00 N ATOM 887 CA ASP A 51 -16.446 -8.360 -24.759 1.00 0.00 C ATOM 888 C ASP A 51 -15.330 -9.122 -24.051 1.00 0.00 C ATOM 889 O ASP A 51 -15.037 -10.268 -24.391 1.00 0.00 O ATOM 890 CB ASP A 51 -17.713 -9.218 -24.785 1.00 0.00 C ATOM 891 CG ASP A 51 -18.163 -9.526 -23.361 1.00 0.00 C ATOM 892 OD1 ASP A 51 -17.436 -9.182 -22.444 1.00 0.00 O1- ATOM 893 OD2 ASP A 51 -19.227 -10.104 -23.209 1.00 0.00 O ATOM 0 H ASP A 51 -16.274 -8.743 -26.816 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.645 -7.435 -24.218 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.505 -8.695 -25.321 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -17.523 -10.146 -25.324 1.00 0.00 H new ATOM 898 N SER A 52 -14.705 -8.479 -23.069 1.00 0.00 N ATOM 899 CA SER A 52 -13.619 -9.113 -22.333 1.00 0.00 C ATOM 900 C SER A 52 -14.147 -10.261 -21.478 1.00 0.00 C ATOM 901 O SER A 52 -15.337 -10.322 -21.170 1.00 0.00 O ATOM 902 CB SER A 52 -12.926 -8.086 -21.438 1.00 0.00 C ATOM 903 OG SER A 52 -13.806 -7.708 -20.389 1.00 0.00 O ATOM 0 H SER A 52 -14.929 -7.531 -22.768 1.00 0.00 H new ATOM 0 HA SER A 52 -12.903 -9.511 -23.052 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.009 -8.506 -21.025 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.641 -7.211 -22.022 1.00 0.00 H new ATOM 0 HG SER A 52 -13.364 -7.051 -19.812 1.00 0.00 H new ATOM 909 N GLY A 53 -13.253 -11.172 -21.106 1.00 0.00 N ATOM 910 CA GLY A 53 -13.636 -12.320 -20.294 1.00 0.00 C ATOM 911 C GLY A 53 -12.540 -13.380 -20.310 1.00 0.00 C ATOM 912 O GLY A 53 -11.404 -13.105 -20.694 1.00 0.00 O ATOM 0 H GLY A 53 -12.264 -11.138 -21.353 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.825 -12.000 -19.269 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.566 -12.745 -20.672 1.00 0.00 H new ATOM 916 N ASN A 54 -12.887 -14.594 -19.894 1.00 0.00 N ATOM 917 CA ASN A 54 -11.920 -15.685 -19.871 1.00 0.00 C ATOM 918 C ASN A 54 -10.679 -15.290 -19.077 1.00 0.00 C ATOM 919 O ASN A 54 -9.552 -15.559 -19.494 1.00 0.00 O ATOM 920 CB ASN A 54 -11.517 -16.057 -21.300 1.00 0.00 C ATOM 921 CG ASN A 54 -12.751 -16.453 -22.102 1.00 0.00 C ATOM 922 OD1 ASN A 54 -13.057 -15.830 -23.120 1.00 0.00 O ATOM 923 ND2 ASN A 54 -13.481 -17.458 -21.705 1.00 0.00 N ATOM 0 H ASN A 54 -13.821 -14.845 -19.571 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.385 -16.545 -19.389 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.018 -15.214 -21.777 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.804 -16.881 -21.283 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.307 -17.730 -22.238 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.226 -17.972 -20.862 1.00 0.00 H new ATOM 930 N GLU A 55 -10.893 -14.651 -17.928 1.00 0.00 N ATOM 931 CA GLU A 55 -9.787 -14.217 -17.074 1.00 0.00 C ATOM 932 C GLU A 55 -10.158 -14.379 -15.604 1.00 0.00 C ATOM 933 O GLU A 55 -11.336 -14.422 -15.252 1.00 0.00 O ATOM 934 CB GLU A 55 -9.446 -12.751 -17.361 1.00 0.00 C ATOM 935 CG GLU A 55 -10.689 -11.874 -17.164 1.00 0.00 C ATOM 936 CD GLU A 55 -10.937 -11.619 -15.678 1.00 0.00 C ATOM 937 OE1 GLU A 55 -9.995 -11.730 -14.909 1.00 0.00 O ATOM 938 OE2 GLU A 55 -12.066 -11.315 -15.331 1.00 0.00 O1- ATOM 0 H GLU A 55 -11.819 -14.422 -17.567 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.917 -14.837 -17.290 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.648 -12.418 -16.698 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.076 -12.648 -18.381 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.558 -10.925 -17.684 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.558 -12.362 -17.605 1.00 0.00 H new ATOM 945 N SER A 56 -9.142 -14.478 -14.749 1.00 0.00 N ATOM 946 CA SER A 56 -9.367 -14.645 -13.315 1.00 0.00 C ATOM 947 C SER A 56 -8.204 -14.067 -12.517 1.00 0.00 C ATOM 948 O SER A 56 -7.065 -14.049 -12.985 1.00 0.00 O ATOM 949 CB SER A 56 -9.526 -16.130 -12.983 1.00 0.00 C ATOM 950 OG SER A 56 -9.741 -16.277 -11.586 1.00 0.00 O ATOM 0 H SER A 56 -8.160 -14.446 -15.022 1.00 0.00 H new ATOM 0 HA SER A 56 -10.278 -14.110 -13.045 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.364 -16.551 -13.538 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.635 -16.680 -13.286 1.00 0.00 H new ATOM 0 HG SER A 56 -9.845 -17.227 -11.369 1.00 0.00 H new ATOM 956 N GLU A 57 -8.498 -13.595 -11.306 1.00 0.00 N ATOM 957 CA GLU A 57 -7.473 -13.015 -10.439 1.00 0.00 C ATOM 958 C GLU A 57 -7.767 -13.325 -8.973 1.00 0.00 C ATOM 959 O GLU A 57 -8.907 -13.608 -8.605 1.00 0.00 O ATOM 960 CB GLU A 57 -7.398 -11.496 -10.660 1.00 0.00 C ATOM 961 CG GLU A 57 -8.762 -10.832 -10.372 1.00 0.00 C ATOM 962 CD GLU A 57 -9.633 -10.839 -11.626 1.00 0.00 C ATOM 963 OE1 GLU A 57 -9.395 -11.674 -12.484 1.00 0.00 O ATOM 964 OE2 GLU A 57 -10.525 -10.011 -11.710 1.00 0.00 O1- ATOM 0 H GLU A 57 -9.435 -13.603 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.510 -13.458 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.635 -11.067 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.097 -11.288 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.269 -11.363 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.610 -9.807 -10.033 1.00 0.00 H new ATOM 971 N GLY A 58 -6.730 -13.276 -8.143 1.00 0.00 N ATOM 972 CA GLY A 58 -6.886 -13.562 -6.720 1.00 0.00 C ATOM 973 C GLY A 58 -6.851 -15.066 -6.471 1.00 0.00 C ATOM 974 O GLY A 58 -6.014 -15.562 -5.718 1.00 0.00 O ATOM 0 H GLY A 58 -5.779 -13.043 -8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.090 -13.075 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.829 -13.150 -6.361 1.00 0.00 H new ATOM 978 N GLU A 59 -7.764 -15.785 -7.116 1.00 0.00 N ATOM 979 CA GLU A 59 -7.829 -17.234 -6.968 1.00 0.00 C ATOM 980 C GLU A 59 -6.544 -17.877 -7.480 1.00 0.00 C ATOM 981 O GLU A 59 -6.028 -18.821 -6.884 1.00 0.00 O ATOM 982 CB GLU A 59 -9.028 -17.786 -7.746 1.00 0.00 C ATOM 983 CG GLU A 59 -9.184 -19.288 -7.473 1.00 0.00 C ATOM 984 CD GLU A 59 -8.187 -20.091 -8.307 1.00 0.00 C ATOM 985 OE1 GLU A 59 -7.810 -19.620 -9.367 1.00 0.00 O ATOM 986 OE2 GLU A 59 -7.816 -21.168 -7.872 1.00 0.00 O1- ATOM 0 H GLU A 59 -8.465 -15.390 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.946 -17.471 -5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.936 -17.259 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.890 -17.614 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.026 -19.489 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.201 -19.603 -7.709 1.00 0.00 H new ATOM 993 N ILE A 60 -6.037 -17.357 -8.593 1.00 0.00 N ATOM 994 CA ILE A 60 -4.815 -17.884 -9.189 1.00 0.00 C ATOM 995 C ILE A 60 -3.651 -17.801 -8.204 1.00 0.00 C ATOM 996 O ILE A 60 -2.841 -18.723 -8.108 1.00 0.00 O ATOM 997 CB ILE A 60 -4.476 -17.074 -10.446 1.00 0.00 C ATOM 998 CG1 ILE A 60 -3.316 -17.741 -11.205 1.00 0.00 C ATOM 999 CG2 ILE A 60 -4.069 -15.652 -10.049 1.00 0.00 C ATOM 1000 CD1 ILE A 60 -3.744 -19.107 -11.764 1.00 0.00 C ATOM 0 H ILE A 60 -6.452 -16.574 -9.099 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.976 -18.930 -9.448 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.355 -17.037 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.990 -17.095 -12.020 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.463 -17.867 -10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.829 -15.079 -10.945 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.893 -15.172 -9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.195 -15.692 -9.398 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.908 -19.560 -12.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.047 -19.757 -10.943 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.581 -18.974 -12.449 1.00 0.00 H new ATOM 1012 N SER A 61 -3.565 -16.684 -7.489 1.00 0.00 N ATOM 1013 CA SER A 61 -2.482 -16.488 -6.530 1.00 0.00 C ATOM 1014 C SER A 61 -2.661 -17.393 -5.316 1.00 0.00 C ATOM 1015 O SER A 61 -1.734 -17.587 -4.529 1.00 0.00 O ATOM 1016 CB SER A 61 -2.450 -15.028 -6.076 1.00 0.00 C ATOM 1017 OG SER A 61 -3.618 -14.747 -5.316 1.00 0.00 O ATOM 0 H SER A 61 -4.224 -15.908 -7.553 1.00 0.00 H new ATOM 0 HA SER A 61 -1.542 -16.742 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.559 -14.841 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.397 -14.367 -6.941 1.00 0.00 H new ATOM 0 HG SER A 61 -4.408 -15.065 -5.801 1.00 0.00 H new ATOM 1023 N ALA A 62 -3.864 -17.935 -5.171 1.00 0.00 N ATOM 1024 CA ALA A 62 -4.169 -18.812 -4.045 1.00 0.00 C ATOM 1025 C ALA A 62 -3.362 -20.105 -4.123 1.00 0.00 C ATOM 1026 O ALA A 62 -2.927 -20.634 -3.100 1.00 0.00 O ATOM 1027 CB ALA A 62 -5.662 -19.139 -4.026 1.00 0.00 C ATOM 0 H ALA A 62 -4.641 -17.785 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.898 -18.290 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.880 -19.794 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.235 -18.217 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.937 -19.640 -4.954 1.00 0.00 H new ATOM 1033 N LEU A 63 -3.171 -20.614 -5.336 1.00 0.00 N ATOM 1034 CA LEU A 63 -2.422 -21.855 -5.529 1.00 0.00 C ATOM 1035 C LEU A 63 -0.919 -21.585 -5.576 1.00 0.00 C ATOM 1036 O LEU A 63 -0.111 -22.495 -5.393 1.00 0.00 O ATOM 1037 CB LEU A 63 -2.856 -22.528 -6.834 1.00 0.00 C ATOM 1038 CG LEU A 63 -4.356 -22.845 -6.791 1.00 0.00 C ATOM 1039 CD1 LEU A 63 -4.780 -23.437 -8.140 1.00 0.00 C ATOM 1040 CD2 LEU A 63 -4.656 -23.856 -5.666 1.00 0.00 C ATOM 0 H LEU A 63 -3.521 -20.191 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.633 -22.513 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.639 -21.874 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.287 -23.445 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.912 -21.928 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.846 -23.665 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.579 -22.716 -8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.217 -24.351 -8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.724 -24.072 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.102 -24.777 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.354 -23.434 -4.708 1.00 0.00 H new ATOM 1052 N VAL A 64 -0.551 -20.337 -5.844 1.00 0.00 N ATOM 1053 CA VAL A 64 0.858 -19.968 -5.938 1.00 0.00 C ATOM 1054 C VAL A 64 1.592 -20.242 -4.625 1.00 0.00 C ATOM 1055 O VAL A 64 2.699 -20.780 -4.632 1.00 0.00 O ATOM 1056 CB VAL A 64 0.979 -18.483 -6.304 1.00 0.00 C ATOM 1057 CG1 VAL A 64 2.439 -18.029 -6.188 1.00 0.00 C ATOM 1058 CG2 VAL A 64 0.503 -18.278 -7.744 1.00 0.00 C ATOM 0 H VAL A 64 -1.203 -19.568 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 64 1.320 -20.577 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 64 0.366 -17.896 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.514 -16.974 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.785 -18.174 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.058 -18.616 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.587 -17.224 -8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.119 -18.872 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.537 -18.592 -7.832 1.00 0.00 H new ATOM 1068 N GLU A 65 0.985 -19.867 -3.504 1.00 0.00 N ATOM 1069 CA GLU A 65 1.620 -20.081 -2.209 1.00 0.00 C ATOM 1070 C GLU A 65 1.811 -21.572 -1.939 1.00 0.00 C ATOM 1071 O GLU A 65 2.823 -21.983 -1.373 1.00 0.00 O ATOM 1072 CB GLU A 65 0.761 -19.464 -1.101 1.00 0.00 C ATOM 1073 CG GLU A 65 1.466 -19.617 0.250 1.00 0.00 C ATOM 1074 CD GLU A 65 0.648 -18.942 1.344 1.00 0.00 C ATOM 1075 OE1 GLU A 65 -0.399 -18.402 1.027 1.00 0.00 O ATOM 1076 OE2 GLU A 65 1.079 -18.974 2.485 1.00 0.00 O1- ATOM 0 H GLU A 65 0.069 -19.420 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 65 2.599 -19.602 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.583 -18.409 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.213 -19.951 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.598 -20.674 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.461 -19.174 0.203 1.00 0.00 H new ATOM 1083 N LEU A 66 0.839 -22.377 -2.353 1.00 0.00 N ATOM 1084 CA LEU A 66 0.925 -23.820 -2.155 1.00 0.00 C ATOM 1085 C LEU A 66 2.048 -24.413 -3.000 1.00 0.00 C ATOM 1086 O LEU A 66 2.769 -25.303 -2.550 1.00 0.00 O ATOM 1087 CB LEU A 66 -0.408 -24.490 -2.507 1.00 0.00 C ATOM 1088 CG LEU A 66 -1.425 -24.251 -1.386 1.00 0.00 C ATOM 1089 CD1 LEU A 66 -1.537 -22.751 -1.094 1.00 0.00 C ATOM 1090 CD2 LEU A 66 -2.790 -24.791 -1.820 1.00 0.00 C ATOM 0 H LEU A 66 -0.009 -22.060 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 66 1.145 -24.007 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.789 -24.090 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.260 -25.560 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.095 -24.766 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.262 -22.589 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.565 -22.367 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.864 -22.229 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.517 -24.623 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.115 -24.275 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.712 -25.860 -2.020 1.00 0.00 H new ATOM 1102 N GLY A 67 2.196 -23.918 -4.225 1.00 0.00 N ATOM 1103 CA GLY A 67 3.241 -24.420 -5.109 1.00 0.00 C ATOM 1104 C GLY A 67 4.609 -23.898 -4.685 1.00 0.00 C ATOM 1105 O GLY A 67 5.594 -24.636 -4.693 1.00 0.00 O ATOM 0 H GLY A 67 1.615 -23.181 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.243 -25.510 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.033 -24.115 -6.135 1.00 0.00 H new ATOM 1109 N VAL A 68 4.665 -22.619 -4.328 1.00 0.00 N ATOM 1110 CA VAL A 68 5.925 -22.009 -3.917 1.00 0.00 C ATOM 1111 C VAL A 68 6.393 -22.586 -2.584 1.00 0.00 C ATOM 1112 O VAL A 68 7.572 -22.898 -2.416 1.00 0.00 O ATOM 1113 CB VAL A 68 5.749 -20.492 -3.795 1.00 0.00 C ATOM 1114 CG1 VAL A 68 7.008 -19.867 -3.187 1.00 0.00 C ATOM 1115 CG2 VAL A 68 5.505 -19.895 -5.183 1.00 0.00 C ATOM 0 H VAL A 68 3.862 -21.990 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 68 6.680 -22.227 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 68 4.897 -20.282 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.875 -18.788 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.182 -20.289 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.865 -20.078 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.380 -18.816 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.357 -20.112 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.604 -20.332 -5.614 1.00 0.00 H new ATOM 1125 N GLU A 69 5.469 -22.732 -1.641 1.00 0.00 N ATOM 1126 CA GLU A 69 5.819 -23.280 -0.336 1.00 0.00 C ATOM 1127 C GLU A 69 6.343 -24.704 -0.500 1.00 0.00 C ATOM 1128 O GLU A 69 7.368 -25.072 0.073 1.00 0.00 O ATOM 1129 CB GLU A 69 4.588 -23.272 0.581 1.00 0.00 C ATOM 1130 CG GLU A 69 4.950 -23.828 1.965 1.00 0.00 C ATOM 1131 CD GLU A 69 5.998 -22.942 2.630 1.00 0.00 C ATOM 1132 OE1 GLU A 69 6.114 -21.794 2.233 1.00 0.00 O ATOM 1133 OE2 GLU A 69 6.670 -23.425 3.526 1.00 0.00 O1- ATOM 0 H GLU A 69 4.486 -22.483 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 69 6.597 -22.665 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.206 -22.256 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.792 -23.871 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.058 -23.880 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.331 -24.845 1.868 1.00 0.00 H new ATOM 1140 N LEU A 70 5.632 -25.497 -1.294 1.00 0.00 N ATOM 1141 CA LEU A 70 6.030 -26.877 -1.542 1.00 0.00 C ATOM 1142 C LEU A 70 7.379 -26.923 -2.252 1.00 0.00 C ATOM 1143 O LEU A 70 8.251 -27.717 -1.897 1.00 0.00 O ATOM 1144 CB LEU A 70 4.961 -27.579 -2.393 1.00 0.00 C ATOM 1145 CG LEU A 70 5.362 -29.035 -2.679 1.00 0.00 C ATOM 1146 CD1 LEU A 70 5.512 -29.815 -1.362 1.00 0.00 C ATOM 1147 CD2 LEU A 70 4.274 -29.685 -3.541 1.00 0.00 C ATOM 0 H LEU A 70 4.780 -25.209 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 70 6.125 -27.394 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.003 -27.556 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.827 -27.042 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 70 6.317 -29.053 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.796 -30.845 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.282 -29.348 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.564 -29.806 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.546 -30.719 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.324 -29.661 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.177 -29.137 -4.478 1.00 0.00 H new ATOM 1159 N GLY A 71 7.545 -26.071 -3.258 1.00 0.00 N ATOM 1160 CA GLY A 71 8.795 -26.030 -4.010 1.00 0.00 C ATOM 1161 C GLY A 71 9.921 -25.436 -3.171 1.00 0.00 C ATOM 1162 O GLY A 71 9.695 -24.548 -2.348 1.00 0.00 O ATOM 0 H GLY A 71 6.838 -25.405 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.066 -27.037 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.660 -25.437 -4.915 1.00 0.00 H new ATOM 1166 N HIS A 72 11.135 -25.928 -3.389 1.00 0.00 N ATOM 1167 CA HIS A 72 12.295 -25.436 -2.654 1.00 0.00 C ATOM 1168 C HIS A 72 12.559 -23.973 -2.993 1.00 0.00 C ATOM 1169 O HIS A 72 12.914 -23.177 -2.123 1.00 0.00 O ATOM 1170 CB HIS A 72 13.530 -26.274 -2.999 1.00 0.00 C ATOM 1171 CG HIS A 72 13.414 -27.632 -2.361 1.00 0.00 C ATOM 1172 ND1 HIS A 72 12.648 -28.647 -2.915 1.00 0.00 N ATOM 1173 CD2 HIS A 72 13.961 -28.157 -1.217 1.00 0.00 C ATOM 1174 CE1 HIS A 72 12.755 -29.719 -2.110 1.00 0.00 C ATOM 1175 NE2 HIS A 72 13.544 -29.475 -1.060 1.00 0.00 N ATOM 0 H HIS A 72 11.342 -26.663 -4.065 1.00 0.00 H new ATOM 0 HA HIS A 72 12.088 -25.520 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.622 -26.376 -4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 72 14.432 -25.772 -2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 72 14.616 -27.627 -0.541 1.00 0.00 H new ATOM 0 HE1 HIS A 72 12.263 -30.663 -2.291 1.00 0.00 H new ATOM 0 HE2 HIS A 72 13.788 -30.117 -0.306 1.00 0.00 H new ATOM 1184 N HIS A 73 12.387 -23.627 -4.267 1.00 0.00 N ATOM 1185 CA HIS A 73 12.612 -22.258 -4.723 1.00 0.00 C ATOM 1186 C HIS A 73 11.734 -21.945 -5.930 1.00 0.00 C ATOM 1187 O HIS A 73 11.515 -22.800 -6.788 1.00 0.00 O ATOM 1188 CB HIS A 73 14.082 -22.067 -5.098 1.00 0.00 C ATOM 1189 CG HIS A 73 14.311 -20.641 -5.519 1.00 0.00 C ATOM 1190 ND1 HIS A 73 14.314 -19.594 -4.610 1.00 0.00 N ATOM 1191 CD2 HIS A 73 14.541 -20.072 -6.747 1.00 0.00 C ATOM 1192 CE1 HIS A 73 14.540 -18.460 -5.298 1.00 0.00 C ATOM 1193 NE2 HIS A 73 14.686 -18.696 -6.605 1.00 0.00 N ATOM 0 H HIS A 73 12.094 -24.274 -4.999 1.00 0.00 H new ATOM 0 HA HIS A 73 12.353 -21.578 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 73 14.720 -22.314 -4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 73 14.353 -22.744 -5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.600 -20.611 -7.681 1.00 0.00 H new ATOM 0 HE1 HIS A 73 14.596 -17.479 -4.849 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.865 -18.013 -7.341 1.00 0.00 H new ATOM 1202 N ALA A 74 11.231 -20.712 -5.987 1.00 0.00 N ATOM 1203 CA ALA A 74 10.369 -20.276 -7.090 1.00 0.00 C ATOM 1204 C ALA A 74 10.892 -18.953 -7.665 1.00 0.00 C ATOM 1205 O ALA A 74 11.628 -18.240 -6.983 1.00 0.00 O ATOM 1206 CB ALA A 74 8.935 -20.096 -6.573 1.00 0.00 C ATOM 0 H ALA A 74 11.405 -19.995 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 74 10.375 -21.029 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.291 -19.772 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.569 -21.043 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.925 -19.345 -5.783 1.00 0.00 H new ATOM 1212 N PRO A 75 10.538 -18.594 -8.883 1.00 0.00 N ATOM 1213 CA PRO A 75 11.013 -17.313 -9.492 1.00 0.00 C ATOM 1214 C PRO A 75 10.799 -16.126 -8.554 1.00 0.00 C ATOM 1215 O PRO A 75 11.636 -15.226 -8.474 1.00 0.00 O ATOM 1216 CB PRO A 75 10.147 -17.180 -10.751 1.00 0.00 C ATOM 1217 CG PRO A 75 9.843 -18.585 -11.139 1.00 0.00 C ATOM 1218 CD PRO A 75 9.669 -19.343 -9.821 1.00 0.00 C ATOM 0 HA PRO A 75 12.083 -17.321 -9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.236 -16.617 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.677 -16.654 -11.545 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.938 -18.638 -11.745 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.651 -19.012 -11.734 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.630 -19.346 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.978 -20.384 -9.912 1.00 0.00 H new ATOM 1226 N TRP A 76 9.675 -16.137 -7.842 1.00 0.00 N ATOM 1227 CA TRP A 76 9.361 -15.061 -6.905 1.00 0.00 C ATOM 1228 C TRP A 76 9.988 -15.349 -5.545 1.00 0.00 C ATOM 1229 O TRP A 76 9.634 -16.323 -4.880 1.00 0.00 O ATOM 1230 CB TRP A 76 7.844 -14.935 -6.752 1.00 0.00 C ATOM 1231 CG TRP A 76 7.527 -13.844 -5.781 1.00 0.00 C ATOM 1232 CD1 TRP A 76 7.390 -12.537 -6.097 1.00 0.00 C ATOM 1233 CD2 TRP A 76 7.307 -13.943 -4.344 1.00 0.00 C ATOM 1234 NE1 TRP A 76 7.098 -11.826 -4.946 1.00 0.00 N ATOM 1235 CE2 TRP A 76 7.037 -12.650 -3.839 1.00 0.00 C ATOM 1236 CE3 TRP A 76 7.315 -15.020 -3.439 1.00 0.00 C ATOM 1237 CZ2 TRP A 76 6.784 -12.431 -2.484 1.00 0.00 C ATOM 1238 CZ3 TRP A 76 7.061 -14.804 -2.075 1.00 0.00 C ATOM 1239 CH2 TRP A 76 6.796 -13.512 -1.599 1.00 0.00 C ATOM 0 H TRP A 76 8.971 -16.873 -7.895 1.00 0.00 H new ATOM 0 HA TRP A 76 9.766 -14.127 -7.293 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.388 -14.720 -7.718 1.00 0.00 H new ATOM 0 HB3 TRP A 76 7.424 -15.879 -6.404 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.492 -12.116 -7.086 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.946 -10.818 -4.919 1.00 0.00 H new ATOM 0 HE3 TRP A 76 7.518 -16.019 -3.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.581 -11.434 -2.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 7.070 -15.638 -1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.601 -13.353 -0.549 1.00 0.00 H new ATOM 1250 N ASP A 77 10.923 -14.495 -5.135 1.00 0.00 N ATOM 1251 CA ASP A 77 11.597 -14.666 -3.852 1.00 0.00 C ATOM 1252 C ASP A 77 10.771 -14.058 -2.723 1.00 0.00 C ATOM 1253 O ASP A 77 9.686 -13.523 -2.952 1.00 0.00 O ATOM 1254 CB ASP A 77 12.976 -14.002 -3.895 1.00 0.00 C ATOM 1255 CG ASP A 77 12.829 -12.488 -4.013 1.00 0.00 C ATOM 1256 OD1 ASP A 77 11.703 -12.021 -4.063 1.00 0.00 O ATOM 1257 OD2 ASP A 77 13.846 -11.816 -4.052 1.00 0.00 O1- ATOM 0 H ASP A 77 11.229 -13.682 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 77 11.713 -15.733 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.536 -14.251 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.546 -14.386 -4.741 1.00 0.00 H new ATOM 1262 N VAL A 78 11.293 -14.143 -1.504 1.00 0.00 N ATOM 1263 CA VAL A 78 10.598 -13.595 -0.346 1.00 0.00 C ATOM 1264 C VAL A 78 10.608 -12.071 -0.391 1.00 0.00 C ATOM 1265 O VAL A 78 9.734 -11.417 0.179 1.00 0.00 O ATOM 1266 CB VAL A 78 11.270 -14.075 0.941 1.00 0.00 C ATOM 1267 CG1 VAL A 78 11.198 -15.601 1.016 1.00 0.00 C ATOM 1268 CG2 VAL A 78 12.736 -13.635 0.944 1.00 0.00 C ATOM 0 H VAL A 78 12.189 -14.583 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 78 9.565 -13.942 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 78 10.757 -13.644 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.677 -15.943 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.155 -15.917 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.711 -16.032 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.216 -13.976 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.247 -14.067 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.790 -12.548 0.889 1.00 0.00 H new ATOM 1278 N ASP A 79 11.604 -11.512 -1.073 1.00 0.00 N ATOM 1279 CA ASP A 79 11.725 -10.061 -1.192 1.00 0.00 C ATOM 1280 C ASP A 79 10.903 -9.552 -2.371 1.00 0.00 C ATOM 1281 O ASP A 79 11.269 -9.754 -3.529 1.00 0.00 O ATOM 1282 CB ASP A 79 13.193 -9.678 -1.390 1.00 0.00 C ATOM 1283 CG ASP A 79 13.328 -8.162 -1.479 1.00 0.00 C ATOM 1284 OD1 ASP A 79 13.092 -7.506 -0.477 1.00 0.00 O ATOM 1285 OD2 ASP A 79 13.665 -7.678 -2.547 1.00 0.00 O1- ATOM 0 H ASP A 79 12.336 -12.038 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 79 11.349 -9.605 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.791 -10.057 -0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.579 -10.140 -2.299 1.00 0.00 H new ATOM 1290 N ASP A 80 9.791 -8.889 -2.070 1.00 0.00 N ATOM 1291 CA ASP A 80 8.921 -8.353 -3.113 1.00 0.00 C ATOM 1292 C ASP A 80 9.424 -6.993 -3.586 1.00 0.00 C ATOM 1293 O ASP A 80 8.807 -6.354 -4.439 1.00 0.00 O ATOM 1294 CB ASP A 80 7.493 -8.215 -2.581 1.00 0.00 C ATOM 1295 CG ASP A 80 7.443 -7.164 -1.476 1.00 0.00 C ATOM 1296 OD1 ASP A 80 8.479 -6.592 -1.180 1.00 0.00 O ATOM 1297 OD2 ASP A 80 6.367 -6.947 -0.941 1.00 0.00 O1- ATOM 0 H ASP A 80 9.471 -8.710 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 80 8.930 -9.043 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.821 -7.934 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.146 -9.174 -2.197 1.00 0.00 H new ATOM 1302 N LEU A 81 10.549 -6.557 -3.027 1.00 0.00 N ATOM 1303 CA LEU A 81 11.126 -5.272 -3.401 1.00 0.00 C ATOM 1304 C LEU A 81 10.073 -4.171 -3.311 1.00 0.00 C ATOM 1305 O LEU A 81 10.050 -3.480 -2.306 1.00 0.00 O ATOM 1306 CB LEU A 81 11.686 -5.351 -4.828 1.00 0.00 C ATOM 1307 CG LEU A 81 12.292 -4.002 -5.249 1.00 0.00 C ATOM 1308 CD1 LEU A 81 13.443 -3.618 -4.304 1.00 0.00 C ATOM 1309 CD2 LEU A 81 12.826 -4.126 -6.682 1.00 0.00 C ATOM 1310 OXT LEU A 81 9.305 -4.036 -4.249 1.00 0.00 O ATOM 0 H LEU A 81 11.075 -7.070 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 81 11.936 -5.034 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.446 -6.130 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.892 -5.631 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 81 11.525 -3.229 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.864 -2.661 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.065 -3.536 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.217 -4.384 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.259 -3.175 -6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.591 -4.902 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.009 -4.389 -7.353 1.00 0.00 H new TER 1322 LEU A 81 END