USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) HEADER TRANSCRIPTION ACTIVATOR 25-JUL-06 2HTJ TITLE NMR STRUCTURE OF E.COLI PAPI COMPND MOL_ID: 1; COMPND 2 MOLECULE: P FIMBRIAL REGULATORY PROTEIN KS71A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET28B(+) KEYWDS WINGED HELIX-TURN-HELIX, PAP PILI, TRANSCRIPTION ACTIVATOR EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.KAWAMURA,H.ZHOU,L.U.K.LE,F.W.DAHLQUIST REVDAT 3 24-FEB-09 2HTJ 1 VERSN REVDAT 2 06-FEB-07 2HTJ 1 JRNL REVDAT 1 30-JAN-07 2HTJ 0 JRNL AUTH T.KAWAMURA,L.U.LE,H.ZHOU,F.W.DAHLQUIST JRNL TITL SOLUTION STRUCTURE OF ESCHERICHIA COLI PAPI, A KEY JRNL TITL 2 REGULATOR OF THE PAP PILI PHASE VARIATION. JRNL REF J.MOL.BIOL. V. 365 1130 2007 JRNL REFN ISSN 0022-2836 JRNL PMID 17109885 JRNL DOI 10.1016/J.JMB.2006.10.066 REMARK 1 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: NULL REMARK 4 REMARK 4 2HTJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUL-06. REMARK 100 THE RCSB ID CODE IS RCSB038743. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 150MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 50MM POTASSIUM PHOSPHATE REMARK 210 PH6.0, 150MM POTASSIUM REMARK 210 CHLORIDE, 5MM B- REMARK 210 MERCAPTOETHANOL, 100UM EDTA, REMARK 210 8% D2O, 0.02% SODIUM AZIDE; REMARK 210 50MM POTASSIUM PHOSPHATE REMARK 210 PD6.0, 150MM POTASSIUM REMARK 210 CHLORIDE, 2MM DTT, D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 4D_13C-SEPARATED_ REMARK 210 NOESY, 4D_13C/15N-SEPARATED_ REMARK 210 NOESY, HNHA, 3D_15N-SEPARATED_ REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG4OPENGL 1.0.4, NMRPIPE REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : 0 REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 12 -151.36 -108.42 REMARK 500 ASN A 13 108.84 170.72 REMARK 500 VAL A 26 -137.87 -86.15 REMARK 500 LEU A 49 94.61 -33.04 REMARK 500 MET A 53 51.94 179.84 REMARK 500 ALA A 54 24.96 179.78 REMARK 500 THR A 55 -165.46 41.93 REMARK 500 LEU A 59 162.00 -42.08 REMARK 500 LYS A 60 66.66 -65.40 REMARK 500 GLU A 62 -110.76 -177.02 REMARK 500 GLN A 64 17.73 55.48 REMARK 500 SER A 68 96.99 -48.60 REMARK 500 HIS A 76 117.22 56.91 REMARK 500 HIS A 77 92.87 -59.65 REMARK 500 HIS A 78 105.01 57.07 REMARK 500 HIS A 79 153.34 -42.60 REMARK 500 HIS A 80 -58.86 67.24 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 11 0.32 SIDE_CHAIN REMARK 500 ARG A 32 0.27 SIDE_CHAIN REMARK 500 ARG A 46 0.14 SIDE_CHAIN REMARK 500 ARG A 50 0.22 SIDE_CHAIN REMARK 500 ARG A 51 0.24 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 2HTJ A 1 73 UNP P62584 KS7A_ECOLI 5 77 SEQADV 2HTJ LEU A 74 UNP P62584 EXPRESSION TAG SEQADV 2HTJ GLU A 75 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 76 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 77 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 78 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 79 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 80 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 81 UNP P62584 EXPRESSION TAG SEQRES 1 A 81 MET LYS ASN GLU ILE LEU GLU PHE LEU ASN ARG HIS ASN SEQRES 2 A 81 GLY GLY LYS THR ALA GLU ILE ALA GLU ALA LEU ALA VAL SEQRES 3 A 81 THR ASP TYR GLN ALA ARG TYR TYR LEU LEU LEU LEU GLU SEQRES 4 A 81 LYS ALA GLY MET VAL GLN ARG SER PRO LEU ARG ARG GLY SEQRES 5 A 81 MET ALA THR TYR TRP PHE LEU LYS GLY GLU LYS GLN ALA SEQRES 6 A 81 GLY GLN SER CYS SER SER THR THR LEU GLU HIS HIS HIS SEQRES 7 A 81 HIS HIS HIS HELIX 1 1 MET A 1 HIS A 12 1 12 HELIX 2 2 LYS A 16 ALA A 25 1 10 HELIX 3 3 THR A 27 GLY A 42 1 16 HELIX 4 4 GLN A 67 THR A 72 5 6 SHEET 1 A 2 VAL A 44 SER A 47 0 SHEET 2 A 2 TYR A 56 LEU A 59 -1 O TYR A 56 N SER A 47 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 77 HIS : no HE2:sc= -4.24! K(o=-10!,f=-8.3) USER MOD Set 1.2: A 81 HIS : no HE2:sc= -6.13! C(o=-10!,f=-11!) USER MOD Set 2.1: A 64 GLN : amide:sc= -0.135 K(o=0.89,f=-3.6!) USER MOD Set 2.2: A 68 SER OG : rot 3:sc= 1.12 USER MOD Set 2.3: A 69 CYS SG : rot 180:sc= -0.0952 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.285 (180deg=0.274) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 10 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.1) USER MOD Single : A 12 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=-0.18) USER MOD Single : A 13 ASN : amide:sc= -0.686 K(o=-0.69,f=-2.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 81:sc= 1.46 USER MOD Single : A 27 THR OG1 : rot -170:sc= -1.36! USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.5!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.00663 X(o=-0.0066,f=-0.47) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0788 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.815 K(o=-0.82,f=-2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.22) USER MOD Single : A 78 HIS : no HD1:sc=-0.000351 X(o=-0.00035,f=-0.16) USER MOD Single : A 79 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-3.7!) USER MOD Single : A 80 HIS : no HE2:sc= 0.0954 K(o=0.095,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.249 -0.871 11.156 1.00 1.92 N ATOM 2 CA MET A 1 8.857 -1.357 11.381 1.00 1.14 C ATOM 3 C MET A 1 8.147 -1.566 10.041 1.00 0.86 C ATOM 4 O MET A 1 7.660 -0.634 9.433 1.00 0.89 O ATOM 5 CB MET A 1 8.175 -0.249 12.183 1.00 1.51 C ATOM 6 CG MET A 1 8.043 -0.682 13.644 1.00 1.94 C ATOM 7 SD MET A 1 9.690 -0.879 14.366 1.00 2.87 S ATOM 8 CE MET A 1 9.158 -1.155 16.073 1.00 3.42 C ATOM 0 H1 MET A 1 10.687 -0.636 12.070 1.00 1.92 H new ATOM 0 H2 MET A 1 10.805 -1.614 10.687 1.00 1.92 H new ATOM 0 H3 MET A 1 10.228 -0.023 10.554 1.00 1.92 H new ATOM 0 HA MET A 1 8.833 -2.312 11.905 1.00 1.14 H new ATOM 0 HB2 MET A 1 8.755 0.672 12.117 1.00 1.51 H new ATOM 0 HB3 MET A 1 7.191 -0.037 11.765 1.00 1.51 H new ATOM 0 HG2 MET A 1 7.475 0.060 14.205 1.00 1.94 H new ATOM 0 HG3 MET A 1 7.492 -1.620 13.708 1.00 1.94 H new ATOM 0 HE1 MET A 1 10.032 -1.303 16.707 1.00 3.42 H new ATOM 0 HE2 MET A 1 8.598 -0.288 16.424 1.00 3.42 H new ATOM 0 HE3 MET A 1 8.523 -2.040 16.118 1.00 3.42 H new ATOM 20 N LYS A 2 8.085 -2.784 9.575 1.00 0.77 N ATOM 21 CA LYS A 2 7.406 -3.051 8.275 1.00 0.62 C ATOM 22 C LYS A 2 5.916 -2.715 8.376 1.00 0.51 C ATOM 23 O LYS A 2 5.299 -2.294 7.418 1.00 0.51 O ATOM 24 CB LYS A 2 7.603 -4.547 8.026 1.00 0.76 C ATOM 25 CG LYS A 2 6.727 -5.346 8.993 1.00 1.24 C ATOM 26 CD LYS A 2 7.282 -6.764 9.134 1.00 1.54 C ATOM 27 CE LYS A 2 6.175 -7.778 8.836 1.00 1.94 C ATOM 28 NZ LYS A 2 6.704 -9.080 9.332 1.00 2.49 N ATOM 0 H LYS A 2 8.475 -3.605 10.038 1.00 0.77 H new ATOM 0 HA LYS A 2 7.813 -2.445 7.465 1.00 0.62 H new ATOM 0 HB2 LYS A 2 7.343 -4.792 6.996 1.00 0.76 H new ATOM 0 HB3 LYS A 2 8.651 -4.814 8.163 1.00 0.76 H new ATOM 0 HG2 LYS A 2 6.701 -4.856 9.966 1.00 1.24 H new ATOM 0 HG3 LYS A 2 5.701 -5.381 8.627 1.00 1.24 H new ATOM 0 HD2 LYS A 2 8.117 -6.909 8.448 1.00 1.54 H new ATOM 0 HD3 LYS A 2 7.668 -6.916 10.142 1.00 1.54 H new ATOM 0 HE2 LYS A 2 5.247 -7.510 9.342 1.00 1.94 H new ATOM 0 HE3 LYS A 2 5.956 -7.821 7.769 1.00 1.94 H new ATOM 0 HZ1 LYS A 2 6.001 -9.827 9.163 1.00 2.49 H new ATOM 0 HZ2 LYS A 2 7.584 -9.312 8.828 1.00 2.49 H new ATOM 0 HZ3 LYS A 2 6.897 -9.010 10.352 1.00 2.49 H new ATOM 42 N ASN A 3 5.334 -2.897 9.529 1.00 0.53 N ATOM 43 CA ASN A 3 3.885 -2.588 9.690 1.00 0.53 C ATOM 44 C ASN A 3 3.595 -1.153 9.242 1.00 0.49 C ATOM 45 O ASN A 3 2.576 -0.874 8.643 1.00 0.51 O ATOM 46 CB ASN A 3 3.609 -2.749 11.186 1.00 0.66 C ATOM 47 CG ASN A 3 3.143 -4.178 11.469 1.00 1.53 C ATOM 48 OD1 ASN A 3 3.866 -5.124 11.227 1.00 2.38 O ATOM 49 ND2 ASN A 3 1.957 -4.377 11.976 1.00 2.25 N ATOM 0 H ASN A 3 5.799 -3.246 10.367 1.00 0.53 H new ATOM 0 HA ASN A 3 3.255 -3.241 9.086 1.00 0.53 H new ATOM 0 HB2 ASN A 3 4.510 -2.529 11.758 1.00 0.66 H new ATOM 0 HB3 ASN A 3 2.847 -2.037 11.505 1.00 0.66 H new ATOM 0 HD21 ASN A 3 1.638 -5.326 12.169 1.00 2.25 H new ATOM 0 HD22 ASN A 3 1.350 -3.583 12.179 1.00 2.25 H new ATOM 56 N GLU A 4 4.484 -0.241 9.527 1.00 0.49 N ATOM 57 CA GLU A 4 4.257 1.175 9.117 1.00 0.53 C ATOM 58 C GLU A 4 4.326 1.301 7.593 1.00 0.49 C ATOM 59 O GLU A 4 3.626 2.093 6.994 1.00 0.55 O ATOM 60 CB GLU A 4 5.391 1.963 9.772 1.00 0.62 C ATOM 61 CG GLU A 4 4.808 3.131 10.570 1.00 1.01 C ATOM 62 CD GLU A 4 5.851 3.640 11.567 1.00 1.12 C ATOM 63 OE1 GLU A 4 6.724 2.867 11.927 1.00 1.84 O ATOM 64 OE2 GLU A 4 5.760 4.794 11.952 1.00 1.64 O ATOM 0 H GLU A 4 5.357 -0.414 10.025 1.00 0.49 H new ATOM 0 HA GLU A 4 3.277 1.542 9.422 1.00 0.53 H new ATOM 0 HB2 GLU A 4 5.968 1.312 10.429 1.00 0.62 H new ATOM 0 HB3 GLU A 4 6.076 2.335 9.010 1.00 0.62 H new ATOM 0 HG2 GLU A 4 4.512 3.934 9.895 1.00 1.01 H new ATOM 0 HG3 GLU A 4 3.910 2.812 11.099 1.00 1.01 H new ATOM 71 N ILE A 5 5.167 0.529 6.964 1.00 0.43 N ATOM 72 CA ILE A 5 5.286 0.606 5.480 1.00 0.45 C ATOM 73 C ILE A 5 4.047 0.003 4.812 1.00 0.37 C ATOM 74 O ILE A 5 3.496 0.564 3.886 1.00 0.39 O ATOM 75 CB ILE A 5 6.527 -0.215 5.141 1.00 0.47 C ATOM 76 CG1 ILE A 5 7.734 0.358 5.888 1.00 0.68 C ATOM 77 CG2 ILE A 5 6.782 -0.155 3.634 1.00 0.57 C ATOM 78 CD1 ILE A 5 9.020 -0.247 5.325 1.00 0.83 C ATOM 0 H ILE A 5 5.778 -0.153 7.413 1.00 0.43 H new ATOM 0 HA ILE A 5 5.365 1.634 5.127 1.00 0.45 H new ATOM 0 HB ILE A 5 6.372 -1.252 5.441 1.00 0.47 H new ATOM 0 HG12 ILE A 5 7.756 1.443 5.786 1.00 0.68 H new ATOM 0 HG13 ILE A 5 7.653 0.139 6.953 1.00 0.68 H new ATOM 0 HG21 ILE A 5 7.668 -0.741 3.391 1.00 0.57 H new ATOM 0 HG22 ILE A 5 5.921 -0.562 3.103 1.00 0.57 H new ATOM 0 HG23 ILE A 5 6.938 0.881 3.332 1.00 0.57 H new ATOM 0 HD11 ILE A 5 9.878 0.162 5.858 1.00 0.83 H new ATOM 0 HD12 ILE A 5 8.998 -1.330 5.450 1.00 0.83 H new ATOM 0 HD13 ILE A 5 9.102 -0.005 4.265 1.00 0.83 H new ATOM 90 N LEU A 6 3.604 -1.134 5.274 1.00 0.32 N ATOM 91 CA LEU A 6 2.401 -1.765 4.661 1.00 0.30 C ATOM 92 C LEU A 6 1.162 -0.927 4.977 1.00 0.33 C ATOM 93 O LEU A 6 0.373 -0.612 4.108 1.00 0.32 O ATOM 94 CB LEU A 6 2.303 -3.147 5.309 1.00 0.33 C ATOM 95 CG LEU A 6 3.655 -3.859 5.212 1.00 0.34 C ATOM 96 CD1 LEU A 6 3.478 -5.340 5.550 1.00 0.65 C ATOM 97 CD2 LEU A 6 4.206 -3.725 3.789 1.00 0.71 C ATOM 0 H LEU A 6 4.021 -1.652 6.047 1.00 0.32 H new ATOM 0 HA LEU A 6 2.471 -1.836 3.576 1.00 0.30 H new ATOM 0 HB2 LEU A 6 2.006 -3.049 6.353 1.00 0.33 H new ATOM 0 HB3 LEU A 6 1.533 -3.738 4.813 1.00 0.33 H new ATOM 0 HG LEU A 6 4.353 -3.405 5.916 1.00 0.34 H new ATOM 0 HD11 LEU A 6 4.441 -5.847 5.481 1.00 0.65 H new ATOM 0 HD12 LEU A 6 3.088 -5.438 6.563 1.00 0.65 H new ATOM 0 HD13 LEU A 6 2.779 -5.793 4.847 1.00 0.65 H new ATOM 0 HD21 LEU A 6 5.168 -4.232 3.722 1.00 0.71 H new ATOM 0 HD22 LEU A 6 3.508 -4.177 3.084 1.00 0.71 H new ATOM 0 HD23 LEU A 6 4.334 -2.670 3.546 1.00 0.71 H new ATOM 109 N GLU A 7 0.991 -0.556 6.215 1.00 0.45 N ATOM 110 CA GLU A 7 -0.190 0.271 6.588 1.00 0.53 C ATOM 111 C GLU A 7 -0.162 1.588 5.810 1.00 0.46 C ATOM 112 O GLU A 7 -1.183 2.100 5.395 1.00 0.45 O ATOM 113 CB GLU A 7 -0.031 0.527 8.086 1.00 0.71 C ATOM 114 CG GLU A 7 -1.409 0.541 8.752 1.00 1.23 C ATOM 115 CD GLU A 7 -1.253 0.840 10.244 1.00 1.40 C ATOM 116 OE1 GLU A 7 -0.674 1.865 10.565 1.00 2.05 O ATOM 117 OE2 GLU A 7 -1.716 0.040 11.040 1.00 1.98 O ATOM 0 H GLU A 7 1.618 -0.790 6.985 1.00 0.45 H new ATOM 0 HA GLU A 7 -1.137 -0.218 6.359 1.00 0.53 H new ATOM 0 HB2 GLU A 7 0.593 -0.247 8.533 1.00 0.71 H new ATOM 0 HB3 GLU A 7 0.474 1.479 8.251 1.00 0.71 H new ATOM 0 HG2 GLU A 7 -2.043 1.294 8.284 1.00 1.23 H new ATOM 0 HG3 GLU A 7 -1.901 -0.421 8.613 1.00 1.23 H new ATOM 124 N PHE A 8 1.005 2.134 5.605 1.00 0.47 N ATOM 125 CA PHE A 8 1.111 3.413 4.847 1.00 0.48 C ATOM 126 C PHE A 8 0.637 3.204 3.406 1.00 0.41 C ATOM 127 O PHE A 8 -0.141 3.974 2.879 1.00 0.45 O ATOM 128 CB PHE A 8 2.601 3.767 4.890 1.00 0.57 C ATOM 129 CG PHE A 8 2.938 4.723 3.769 1.00 0.57 C ATOM 130 CD1 PHE A 8 2.048 5.750 3.434 1.00 0.61 C ATOM 131 CD2 PHE A 8 4.139 4.578 3.064 1.00 0.80 C ATOM 132 CE1 PHE A 8 2.359 6.634 2.394 1.00 0.71 C ATOM 133 CE2 PHE A 8 4.450 5.462 2.024 1.00 0.91 C ATOM 134 CZ PHE A 8 3.560 6.490 1.689 1.00 0.80 C ATOM 0 H PHE A 8 1.892 1.749 5.930 1.00 0.47 H new ATOM 0 HA PHE A 8 0.495 4.208 5.268 1.00 0.48 H new ATOM 0 HB2 PHE A 8 2.848 4.219 5.851 1.00 0.57 H new ATOM 0 HB3 PHE A 8 3.201 2.862 4.800 1.00 0.57 H new ATOM 0 HD1 PHE A 8 1.121 5.860 3.978 1.00 0.61 H new ATOM 0 HD2 PHE A 8 4.825 3.785 3.322 1.00 0.80 H new ATOM 0 HE1 PHE A 8 1.673 7.427 2.136 1.00 0.71 H new ATOM 0 HE2 PHE A 8 5.376 5.351 1.480 1.00 0.91 H new ATOM 0 HZ PHE A 8 3.800 7.172 0.887 1.00 0.80 H new ATOM 144 N LEU A 9 1.099 2.164 2.766 1.00 0.39 N ATOM 145 CA LEU A 9 0.674 1.903 1.361 1.00 0.43 C ATOM 146 C LEU A 9 -0.843 1.709 1.299 1.00 0.44 C ATOM 147 O LEU A 9 -1.470 1.961 0.289 1.00 0.56 O ATOM 148 CB LEU A 9 1.399 0.618 0.961 1.00 0.47 C ATOM 149 CG LEU A 9 2.659 0.965 0.166 1.00 0.52 C ATOM 150 CD1 LEU A 9 3.437 2.063 0.893 1.00 0.88 C ATOM 151 CD2 LEU A 9 3.538 -0.280 0.037 1.00 1.12 C ATOM 0 H LEU A 9 1.752 1.484 3.155 1.00 0.39 H new ATOM 0 HA LEU A 9 0.916 2.730 0.693 1.00 0.43 H new ATOM 0 HB2 LEU A 9 1.664 0.046 1.850 1.00 0.47 H new ATOM 0 HB3 LEU A 9 0.741 -0.011 0.362 1.00 0.47 H new ATOM 0 HG LEU A 9 2.376 1.317 -0.826 1.00 0.52 H new ATOM 0 HD11 LEU A 9 4.335 2.309 0.326 1.00 0.88 H new ATOM 0 HD12 LEU A 9 2.812 2.951 0.987 1.00 0.88 H new ATOM 0 HD13 LEU A 9 3.720 1.712 1.885 1.00 0.88 H new ATOM 0 HD21 LEU A 9 4.436 -0.034 -0.529 1.00 1.12 H new ATOM 0 HD22 LEU A 9 3.820 -0.631 1.030 1.00 1.12 H new ATOM 0 HD23 LEU A 9 2.985 -1.063 -0.481 1.00 1.12 H new ATOM 163 N ASN A 10 -1.438 1.264 2.373 1.00 0.41 N ATOM 164 CA ASN A 10 -2.914 1.056 2.374 1.00 0.50 C ATOM 165 C ASN A 10 -3.634 2.393 2.176 1.00 0.54 C ATOM 166 O ASN A 10 -4.446 2.545 1.285 1.00 0.66 O ATOM 167 CB ASN A 10 -3.232 0.475 3.752 1.00 0.55 C ATOM 168 CG ASN A 10 -4.432 -0.468 3.645 1.00 0.89 C ATOM 169 OD1 ASN A 10 -5.253 -0.326 2.760 1.00 1.70 O ATOM 170 ND2 ASN A 10 -4.569 -1.431 4.514 1.00 1.42 N ATOM 0 H ASN A 10 -0.966 1.036 3.248 1.00 0.41 H new ATOM 0 HA ASN A 10 -3.239 0.396 1.570 1.00 0.50 H new ATOM 0 HB2 ASN A 10 -2.367 -0.063 4.140 1.00 0.55 H new ATOM 0 HB3 ASN A 10 -3.449 1.279 4.456 1.00 0.55 H new ATOM 0 HD21 ASN A 10 -5.365 -2.065 4.451 1.00 1.42 H new ATOM 0 HD22 ASN A 10 -3.880 -1.550 5.256 1.00 1.42 H new ATOM 177 N ARG A 11 -3.340 3.364 2.998 1.00 0.58 N ATOM 178 CA ARG A 11 -4.007 4.690 2.853 1.00 0.70 C ATOM 179 C ARG A 11 -3.728 5.269 1.463 1.00 0.75 C ATOM 180 O ARG A 11 -4.607 5.798 0.813 1.00 0.96 O ATOM 181 CB ARG A 11 -3.380 5.569 3.936 1.00 0.77 C ATOM 182 CG ARG A 11 -4.400 5.812 5.050 1.00 1.42 C ATOM 183 CD ARG A 11 -5.590 6.596 4.492 1.00 1.47 C ATOM 184 NE ARG A 11 -5.529 7.920 5.170 1.00 2.22 N ATOM 185 CZ ARG A 11 -6.031 8.064 6.367 1.00 2.75 C ATOM 186 NH1 ARG A 11 -7.285 8.393 6.513 1.00 3.12 N ATOM 187 NH2 ARG A 11 -5.278 7.878 7.416 1.00 3.41 N ATOM 0 H ARG A 11 -2.668 3.297 3.762 1.00 0.58 H new ATOM 0 HA ARG A 11 -5.090 4.624 2.960 1.00 0.70 H new ATOM 0 HB2 ARG A 11 -2.491 5.086 4.342 1.00 0.77 H new ATOM 0 HB3 ARG A 11 -3.060 6.519 3.508 1.00 0.77 H new ATOM 0 HG2 ARG A 11 -4.738 4.861 5.461 1.00 1.42 H new ATOM 0 HG3 ARG A 11 -3.937 6.366 5.867 1.00 1.42 H new ATOM 0 HD2 ARG A 11 -5.520 6.703 3.410 1.00 1.47 H new ATOM 0 HD3 ARG A 11 -6.531 6.088 4.702 1.00 1.47 H new ATOM 0 HE ARG A 11 -5.095 8.714 4.700 1.00 2.22 H new ATOM 0 HH11 ARG A 11 -7.873 8.538 5.692 1.00 3.12 H new ATOM 0 HH12 ARG A 11 -7.677 8.505 7.448 1.00 3.12 H new ATOM 0 HH21 ARG A 11 -4.298 7.620 7.301 1.00 3.41 H new ATOM 0 HH22 ARG A 11 -5.669 7.990 8.351 1.00 3.41 H new ATOM 201 N HIS A 12 -2.511 5.169 1.003 1.00 0.82 N ATOM 202 CA HIS A 12 -2.176 5.711 -0.344 1.00 0.98 C ATOM 203 C HIS A 12 -1.939 4.561 -1.327 1.00 0.96 C ATOM 204 O HIS A 12 -2.492 3.489 -1.186 1.00 1.84 O ATOM 205 CB HIS A 12 -0.891 6.515 -0.139 1.00 1.41 C ATOM 206 CG HIS A 12 -1.097 7.923 -0.627 1.00 1.74 C ATOM 207 ND1 HIS A 12 -1.577 8.203 -1.896 1.00 2.50 N ATOM 208 CD2 HIS A 12 -0.892 9.141 -0.027 1.00 2.12 C ATOM 209 CE1 HIS A 12 -1.644 9.541 -2.019 1.00 2.79 C ATOM 210 NE2 HIS A 12 -1.237 10.161 -0.908 1.00 2.58 N ATOM 0 H HIS A 12 -1.734 4.735 1.502 1.00 0.82 H new ATOM 0 HA HIS A 12 -2.977 6.324 -0.756 1.00 0.98 H new ATOM 0 HB2 HIS A 12 -0.617 6.521 0.916 1.00 1.41 H new ATOM 0 HB3 HIS A 12 -0.067 6.048 -0.679 1.00 1.41 H new ATOM 0 HD2 HIS A 12 -0.520 9.285 0.976 1.00 2.12 H new ATOM 0 HE1 HIS A 12 -1.985 10.052 -2.907 1.00 2.79 H new ATOM 0 HE2 HIS A 12 -1.189 11.166 -0.741 1.00 2.58 H new ATOM 218 N ASN A 13 -1.121 4.775 -2.322 1.00 1.02 N ATOM 219 CA ASN A 13 -0.850 3.692 -3.312 1.00 1.22 C ATOM 220 C ASN A 13 -0.054 4.243 -4.498 1.00 1.31 C ATOM 221 O ASN A 13 -0.567 4.988 -5.310 1.00 1.95 O ATOM 222 CB ASN A 13 -2.230 3.215 -3.769 1.00 1.81 C ATOM 223 CG ASN A 13 -2.405 1.738 -3.410 1.00 2.41 C ATOM 224 OD1 ASN A 13 -1.475 0.963 -3.512 1.00 3.02 O ATOM 225 ND2 ASN A 13 -3.566 1.313 -2.992 1.00 2.93 N ATOM 0 H ASN A 13 -0.629 5.652 -2.492 1.00 1.02 H new ATOM 0 HA ASN A 13 -0.260 2.882 -2.883 1.00 1.22 H new ATOM 0 HB2 ASN A 13 -3.009 3.811 -3.292 1.00 1.81 H new ATOM 0 HB3 ASN A 13 -2.336 3.354 -4.845 1.00 1.81 H new ATOM 0 HD21 ASN A 13 -3.693 0.330 -2.751 1.00 2.93 H new ATOM 0 HD22 ASN A 13 -4.347 1.964 -2.906 1.00 2.93 H new ATOM 232 N GLY A 14 1.196 3.882 -4.605 1.00 1.00 N ATOM 233 CA GLY A 14 2.021 4.384 -5.740 1.00 1.43 C ATOM 234 C GLY A 14 3.054 5.387 -5.223 1.00 1.06 C ATOM 235 O GLY A 14 2.749 6.539 -4.986 1.00 1.28 O ATOM 0 H GLY A 14 1.681 3.262 -3.956 1.00 1.00 H new ATOM 0 HA2 GLY A 14 2.523 3.552 -6.233 1.00 1.43 H new ATOM 0 HA3 GLY A 14 1.382 4.857 -6.485 1.00 1.43 H new ATOM 239 N GLY A 15 4.275 4.961 -5.049 1.00 0.64 N ATOM 240 CA GLY A 15 5.327 5.892 -4.550 1.00 0.44 C ATOM 241 C GLY A 15 6.697 5.219 -4.656 1.00 0.39 C ATOM 242 O GLY A 15 6.857 4.061 -4.325 1.00 0.44 O ATOM 0 H GLY A 15 4.590 4.008 -5.231 1.00 0.64 H new ATOM 0 HA2 GLY A 15 5.317 6.814 -5.131 1.00 0.44 H new ATOM 0 HA3 GLY A 15 5.124 6.166 -3.515 1.00 0.44 H new ATOM 246 N LYS A 16 7.688 5.936 -5.112 1.00 0.40 N ATOM 247 CA LYS A 16 9.046 5.332 -5.233 1.00 0.41 C ATOM 248 C LYS A 16 9.509 4.816 -3.870 1.00 0.37 C ATOM 249 O LYS A 16 8.909 5.103 -2.854 1.00 0.44 O ATOM 250 CB LYS A 16 9.944 6.473 -5.710 1.00 0.51 C ATOM 251 CG LYS A 16 9.655 6.768 -7.183 1.00 1.13 C ATOM 252 CD LYS A 16 10.815 7.566 -7.779 1.00 1.65 C ATOM 253 CE LYS A 16 10.548 9.063 -7.609 1.00 2.25 C ATOM 254 NZ LYS A 16 11.827 9.626 -7.096 1.00 3.03 N ATOM 0 H LYS A 16 7.617 6.910 -5.405 1.00 0.40 H new ATOM 0 HA LYS A 16 9.067 4.486 -5.919 1.00 0.41 H new ATOM 0 HB2 LYS A 16 9.768 7.365 -5.108 1.00 0.51 H new ATOM 0 HB3 LYS A 16 10.992 6.203 -5.581 1.00 0.51 H new ATOM 0 HG2 LYS A 16 9.520 5.836 -7.732 1.00 1.13 H new ATOM 0 HG3 LYS A 16 8.726 7.330 -7.277 1.00 1.13 H new ATOM 0 HD2 LYS A 16 11.748 7.294 -7.286 1.00 1.65 H new ATOM 0 HD3 LYS A 16 10.931 7.325 -8.836 1.00 1.65 H new ATOM 0 HE2 LYS A 16 10.265 9.524 -8.556 1.00 2.25 H new ATOM 0 HE3 LYS A 16 9.730 9.241 -6.911 1.00 2.25 H new ATOM 0 HZ1 LYS A 16 11.723 10.651 -6.954 1.00 3.03 H new ATOM 0 HZ2 LYS A 16 12.067 9.174 -6.191 1.00 3.03 H new ATOM 0 HZ3 LYS A 16 12.586 9.447 -7.784 1.00 3.03 H new ATOM 268 N THR A 17 10.572 4.060 -3.833 1.00 0.37 N ATOM 269 CA THR A 17 11.059 3.540 -2.527 1.00 0.38 C ATOM 270 C THR A 17 11.497 4.715 -1.643 1.00 0.34 C ATOM 271 O THR A 17 10.963 4.929 -0.573 1.00 0.31 O ATOM 272 CB THR A 17 12.228 2.602 -2.889 1.00 0.49 C ATOM 273 OG1 THR A 17 11.876 1.269 -2.546 1.00 1.23 O ATOM 274 CG2 THR A 17 13.507 2.992 -2.140 1.00 0.79 C ATOM 0 H THR A 17 11.121 3.782 -4.647 1.00 0.37 H new ATOM 0 HA THR A 17 10.300 3.003 -1.958 1.00 0.38 H new ATOM 0 HB THR A 17 12.418 2.686 -3.959 1.00 0.49 H new ATOM 0 HG1 THR A 17 11.306 0.890 -3.248 1.00 1.23 H new ATOM 0 HG21 THR A 17 14.312 2.312 -2.417 1.00 0.79 H new ATOM 0 HG22 THR A 17 13.787 4.012 -2.404 1.00 0.79 H new ATOM 0 HG23 THR A 17 13.333 2.930 -1.066 1.00 0.79 H new ATOM 282 N ALA A 18 12.459 5.481 -2.083 1.00 0.41 N ATOM 283 CA ALA A 18 12.910 6.639 -1.261 1.00 0.45 C ATOM 284 C ALA A 18 11.738 7.576 -1.020 1.00 0.38 C ATOM 285 O ALA A 18 11.723 8.355 -0.087 1.00 0.38 O ATOM 286 CB ALA A 18 14.005 7.323 -2.079 1.00 0.58 C ATOM 0 H ALA A 18 12.948 5.356 -2.969 1.00 0.41 H new ATOM 0 HA ALA A 18 13.286 6.337 -0.284 1.00 0.45 H new ATOM 0 HB1 ALA A 18 14.383 8.186 -1.531 1.00 0.58 H new ATOM 0 HB2 ALA A 18 14.820 6.621 -2.256 1.00 0.58 H new ATOM 0 HB3 ALA A 18 13.595 7.650 -3.034 1.00 0.58 H new ATOM 292 N GLU A 19 10.742 7.478 -1.841 1.00 0.38 N ATOM 293 CA GLU A 19 9.540 8.330 -1.656 1.00 0.37 C ATOM 294 C GLU A 19 8.683 7.697 -0.572 1.00 0.30 C ATOM 295 O GLU A 19 8.141 8.365 0.286 1.00 0.31 O ATOM 296 CB GLU A 19 8.819 8.323 -3.004 1.00 0.44 C ATOM 297 CG GLU A 19 9.458 9.358 -3.932 1.00 0.97 C ATOM 298 CD GLU A 19 8.958 10.755 -3.560 1.00 1.13 C ATOM 299 OE1 GLU A 19 7.954 10.840 -2.871 1.00 1.68 O ATOM 300 OE2 GLU A 19 9.586 11.717 -3.970 1.00 1.56 O ATOM 0 H GLU A 19 10.705 6.842 -2.638 1.00 0.38 H new ATOM 0 HA GLU A 19 9.772 9.352 -1.355 1.00 0.37 H new ATOM 0 HB2 GLU A 19 8.876 7.332 -3.454 1.00 0.44 H new ATOM 0 HB3 GLU A 19 7.762 8.549 -2.864 1.00 0.44 H new ATOM 0 HG2 GLU A 19 10.544 9.315 -3.849 1.00 0.97 H new ATOM 0 HG3 GLU A 19 9.208 9.135 -4.969 1.00 0.97 H new ATOM 307 N ILE A 20 8.595 6.398 -0.586 1.00 0.28 N ATOM 308 CA ILE A 20 7.818 5.701 0.464 1.00 0.26 C ATOM 309 C ILE A 20 8.499 5.967 1.805 1.00 0.24 C ATOM 310 O ILE A 20 7.857 6.174 2.817 1.00 0.24 O ATOM 311 CB ILE A 20 7.894 4.220 0.090 1.00 0.30 C ATOM 312 CG1 ILE A 20 7.063 3.971 -1.171 1.00 0.34 C ATOM 313 CG2 ILE A 20 7.344 3.369 1.235 1.00 0.36 C ATOM 314 CD1 ILE A 20 7.624 2.763 -1.923 1.00 0.51 C ATOM 0 H ILE A 20 9.029 5.791 -1.281 1.00 0.28 H new ATOM 0 HA ILE A 20 6.782 6.030 0.541 1.00 0.26 H new ATOM 0 HB ILE A 20 8.933 3.948 -0.095 1.00 0.30 H new ATOM 0 HG12 ILE A 20 6.021 3.794 -0.904 1.00 0.34 H new ATOM 0 HG13 ILE A 20 7.082 4.853 -1.812 1.00 0.34 H new ATOM 0 HG21 ILE A 20 7.400 2.315 0.964 1.00 0.36 H new ATOM 0 HG22 ILE A 20 7.934 3.544 2.135 1.00 0.36 H new ATOM 0 HG23 ILE A 20 6.305 3.640 1.424 1.00 0.36 H new ATOM 0 HD11 ILE A 20 7.032 2.586 -2.821 1.00 0.51 H new ATOM 0 HD12 ILE A 20 8.659 2.958 -2.204 1.00 0.51 H new ATOM 0 HD13 ILE A 20 7.581 1.883 -1.281 1.00 0.51 H new ATOM 326 N ALA A 21 9.808 5.989 1.808 1.00 0.27 N ATOM 327 CA ALA A 21 10.545 6.271 3.067 1.00 0.30 C ATOM 328 C ALA A 21 10.186 7.669 3.566 1.00 0.30 C ATOM 329 O ALA A 21 9.958 7.880 4.739 1.00 0.35 O ATOM 330 CB ALA A 21 12.024 6.198 2.693 1.00 0.39 C ATOM 0 H ALA A 21 10.394 5.823 0.990 1.00 0.27 H new ATOM 0 HA ALA A 21 10.299 5.567 3.862 1.00 0.30 H new ATOM 0 HB1 ALA A 21 12.633 6.396 3.575 1.00 0.39 H new ATOM 0 HB2 ALA A 21 12.254 5.204 2.310 1.00 0.39 H new ATOM 0 HB3 ALA A 21 12.243 6.942 1.927 1.00 0.39 H new ATOM 336 N GLU A 22 10.131 8.630 2.680 1.00 0.32 N ATOM 337 CA GLU A 22 9.782 10.013 3.109 1.00 0.38 C ATOM 338 C GLU A 22 8.408 10.014 3.779 1.00 0.34 C ATOM 339 O GLU A 22 8.172 10.727 4.734 1.00 0.43 O ATOM 340 CB GLU A 22 9.755 10.836 1.820 1.00 0.47 C ATOM 341 CG GLU A 22 10.632 12.078 1.988 1.00 1.10 C ATOM 342 CD GLU A 22 10.186 13.156 0.998 1.00 1.46 C ATOM 343 OE1 GLU A 22 9.966 12.820 -0.154 1.00 1.73 O ATOM 344 OE2 GLU A 22 10.071 14.299 1.409 1.00 2.22 O ATOM 0 H GLU A 22 10.312 8.516 1.683 1.00 0.32 H new ATOM 0 HA GLU A 22 10.492 10.419 3.830 1.00 0.38 H new ATOM 0 HB2 GLU A 22 10.114 10.235 0.985 1.00 0.47 H new ATOM 0 HB3 GLU A 22 8.732 11.129 1.585 1.00 0.47 H new ATOM 0 HG2 GLU A 22 10.557 12.453 3.009 1.00 1.10 H new ATOM 0 HG3 GLU A 22 11.678 11.823 1.818 1.00 1.10 H new ATOM 351 N ALA A 23 7.502 9.214 3.289 1.00 0.31 N ATOM 352 CA ALA A 23 6.147 9.161 3.902 1.00 0.38 C ATOM 353 C ALA A 23 6.250 8.674 5.348 1.00 0.34 C ATOM 354 O ALA A 23 5.607 9.196 6.237 1.00 0.42 O ATOM 355 CB ALA A 23 5.365 8.160 3.052 1.00 0.42 C ATOM 0 H ALA A 23 7.642 8.595 2.491 1.00 0.31 H new ATOM 0 HA ALA A 23 5.662 10.137 3.925 1.00 0.38 H new ATOM 0 HB1 ALA A 23 4.352 8.065 3.442 1.00 0.42 H new ATOM 0 HB2 ALA A 23 5.326 8.511 2.021 1.00 0.42 H new ATOM 0 HB3 ALA A 23 5.859 7.189 3.086 1.00 0.42 H new ATOM 361 N LEU A 24 7.057 7.677 5.591 1.00 0.26 N ATOM 362 CA LEU A 24 7.202 7.160 6.982 1.00 0.32 C ATOM 363 C LEU A 24 8.360 7.869 7.690 1.00 0.32 C ATOM 364 O LEU A 24 8.477 7.834 8.899 1.00 0.39 O ATOM 365 CB LEU A 24 7.500 5.669 6.820 1.00 0.38 C ATOM 366 CG LEU A 24 6.555 5.069 5.778 1.00 0.40 C ATOM 367 CD1 LEU A 24 6.921 3.604 5.540 1.00 0.60 C ATOM 368 CD2 LEU A 24 5.115 5.158 6.288 1.00 0.61 C ATOM 0 H LEU A 24 7.621 7.199 4.888 1.00 0.26 H new ATOM 0 HA LEU A 24 6.310 7.333 7.584 1.00 0.32 H new ATOM 0 HB2 LEU A 24 8.536 5.526 6.512 1.00 0.38 H new ATOM 0 HB3 LEU A 24 7.378 5.157 7.775 1.00 0.38 H new ATOM 0 HG LEU A 24 6.646 5.622 4.843 1.00 0.40 H new ATOM 0 HD11 LEU A 24 6.247 3.177 4.797 1.00 0.60 H new ATOM 0 HD12 LEU A 24 7.947 3.539 5.179 1.00 0.60 H new ATOM 0 HD13 LEU A 24 6.830 3.050 6.474 1.00 0.60 H new ATOM 0 HD21 LEU A 24 4.439 4.731 5.547 1.00 0.61 H new ATOM 0 HD22 LEU A 24 5.025 4.604 7.223 1.00 0.61 H new ATOM 0 HD23 LEU A 24 4.853 6.202 6.458 1.00 0.61 H new ATOM 380 N ALA A 25 9.219 8.511 6.945 1.00 0.30 N ATOM 381 CA ALA A 25 10.371 9.219 7.571 1.00 0.39 C ATOM 382 C ALA A 25 11.153 8.261 8.469 1.00 0.49 C ATOM 383 O ALA A 25 11.866 8.672 9.363 1.00 0.63 O ATOM 384 CB ALA A 25 9.748 10.346 8.396 1.00 0.52 C ATOM 0 H ALA A 25 9.172 8.575 5.928 1.00 0.30 H new ATOM 0 HA ALA A 25 11.072 9.602 6.830 1.00 0.39 H new ATOM 0 HB1 ALA A 25 10.536 10.915 8.889 1.00 0.52 H new ATOM 0 HB2 ALA A 25 9.181 11.006 7.740 1.00 0.52 H new ATOM 0 HB3 ALA A 25 9.082 9.922 9.148 1.00 0.52 H new ATOM 390 N VAL A 26 11.033 6.986 8.231 1.00 0.48 N ATOM 391 CA VAL A 26 11.778 6.000 9.062 1.00 0.64 C ATOM 392 C VAL A 26 13.180 5.802 8.482 1.00 0.57 C ATOM 393 O VAL A 26 13.827 6.745 8.073 1.00 1.03 O ATOM 394 CB VAL A 26 10.968 4.707 8.969 1.00 0.73 C ATOM 395 CG1 VAL A 26 9.562 4.942 9.525 1.00 1.33 C ATOM 396 CG2 VAL A 26 10.872 4.269 7.505 1.00 0.86 C ATOM 0 H VAL A 26 10.451 6.583 7.497 1.00 0.48 H new ATOM 0 HA VAL A 26 11.896 6.324 10.096 1.00 0.64 H new ATOM 0 HB VAL A 26 11.461 3.928 9.550 1.00 0.73 H new ATOM 0 HG11 VAL A 26 8.985 4.019 9.458 1.00 1.33 H new ATOM 0 HG12 VAL A 26 9.630 5.253 10.568 1.00 1.33 H new ATOM 0 HG13 VAL A 26 9.067 5.722 8.946 1.00 1.33 H new ATOM 0 HG21 VAL A 26 10.294 3.347 7.438 1.00 0.86 H new ATOM 0 HG22 VAL A 26 10.380 5.048 6.924 1.00 0.86 H new ATOM 0 HG23 VAL A 26 11.873 4.099 7.110 1.00 0.86 H new ATOM 406 N THR A 27 13.650 4.588 8.427 1.00 0.70 N ATOM 407 CA THR A 27 15.000 4.349 7.856 1.00 0.67 C ATOM 408 C THR A 27 14.869 4.019 6.370 1.00 0.57 C ATOM 409 O THR A 27 14.908 2.871 5.980 1.00 0.52 O ATOM 410 CB THR A 27 15.557 3.152 8.625 1.00 0.72 C ATOM 411 OG1 THR A 27 14.484 2.330 9.062 1.00 0.85 O ATOM 412 CG2 THR A 27 16.353 3.644 9.834 1.00 1.03 C ATOM 0 H THR A 27 13.159 3.755 8.752 1.00 0.70 H new ATOM 0 HA THR A 27 15.653 5.218 7.944 1.00 0.67 H new ATOM 0 HB THR A 27 16.213 2.575 7.973 1.00 0.72 H new ATOM 0 HG1 THR A 27 14.823 1.653 9.685 1.00 0.85 H new ATOM 0 HG21 THR A 27 16.749 2.789 10.381 1.00 1.03 H new ATOM 0 HG22 THR A 27 17.177 4.272 9.496 1.00 1.03 H new ATOM 0 HG23 THR A 27 15.701 4.222 10.488 1.00 1.03 H new ATOM 420 N ASP A 28 14.697 5.024 5.549 1.00 0.59 N ATOM 421 CA ASP A 28 14.547 4.793 4.077 1.00 0.59 C ATOM 422 C ASP A 28 15.368 3.580 3.631 1.00 0.49 C ATOM 423 O ASP A 28 14.894 2.735 2.898 1.00 0.46 O ATOM 424 CB ASP A 28 15.076 6.067 3.419 1.00 0.68 C ATOM 425 CG ASP A 28 16.503 6.336 3.900 1.00 1.38 C ATOM 426 OD1 ASP A 28 16.651 6.997 4.915 1.00 2.02 O ATOM 427 OD2 ASP A 28 17.424 5.877 3.245 1.00 2.18 O ATOM 0 H ASP A 28 14.654 6.002 5.836 1.00 0.59 H new ATOM 0 HA ASP A 28 13.513 4.587 3.802 1.00 0.59 H new ATOM 0 HB2 ASP A 28 15.060 5.962 2.334 1.00 0.68 H new ATOM 0 HB3 ASP A 28 14.432 6.911 3.667 1.00 0.68 H new ATOM 432 N TYR A 29 16.590 3.478 4.078 1.00 0.48 N ATOM 433 CA TYR A 29 17.425 2.308 3.686 1.00 0.44 C ATOM 434 C TYR A 29 16.754 1.019 4.166 1.00 0.40 C ATOM 435 O TYR A 29 16.626 0.062 3.428 1.00 0.40 O ATOM 436 CB TYR A 29 18.764 2.518 4.394 1.00 0.50 C ATOM 437 CG TYR A 29 19.889 2.092 3.481 1.00 0.80 C ATOM 438 CD1 TYR A 29 20.291 0.751 3.444 1.00 1.46 C ATOM 439 CD2 TYR A 29 20.530 3.038 2.672 1.00 1.08 C ATOM 440 CE1 TYR A 29 21.335 0.357 2.599 1.00 2.06 C ATOM 441 CE2 TYR A 29 21.574 2.643 1.827 1.00 1.59 C ATOM 442 CZ TYR A 29 21.976 1.302 1.790 1.00 2.02 C ATOM 443 OH TYR A 29 23.005 0.913 0.957 1.00 2.66 O ATOM 0 H TYR A 29 17.044 4.151 4.695 1.00 0.48 H new ATOM 0 HA TYR A 29 17.553 2.225 2.607 1.00 0.44 H new ATOM 0 HB2 TYR A 29 18.882 3.566 4.669 1.00 0.50 H new ATOM 0 HB3 TYR A 29 18.793 1.941 5.318 1.00 0.50 H new ATOM 0 HD1 TYR A 29 19.796 0.021 4.067 1.00 1.46 H new ATOM 0 HD2 TYR A 29 20.219 4.072 2.700 1.00 1.08 H new ATOM 0 HE1 TYR A 29 21.646 -0.677 2.571 1.00 2.06 H new ATOM 0 HE2 TYR A 29 22.069 3.373 1.204 1.00 1.59 H new ATOM 0 HH TYR A 29 23.339 1.691 0.464 1.00 2.66 H new ATOM 453 N GLN A 30 16.315 0.992 5.395 1.00 0.42 N ATOM 454 CA GLN A 30 15.642 -0.229 5.918 1.00 0.43 C ATOM 455 C GLN A 30 14.243 -0.338 5.325 1.00 0.37 C ATOM 456 O GLN A 30 13.732 -1.414 5.082 1.00 0.39 O ATOM 457 CB GLN A 30 15.577 -0.038 7.434 1.00 0.54 C ATOM 458 CG GLN A 30 16.949 -0.330 8.045 1.00 1.15 C ATOM 459 CD GLN A 30 16.769 -0.907 9.451 1.00 1.49 C ATOM 460 OE1 GLN A 30 15.670 -0.954 9.965 1.00 2.09 O ATOM 461 NE2 GLN A 30 17.812 -1.352 10.098 1.00 1.95 N ATOM 0 H GLN A 30 16.394 1.763 6.059 1.00 0.42 H new ATOM 0 HA GLN A 30 16.175 -1.143 5.656 1.00 0.43 H new ATOM 0 HB2 GLN A 30 15.272 0.981 7.670 1.00 0.54 H new ATOM 0 HB3 GLN A 30 14.827 -0.703 7.863 1.00 0.54 H new ATOM 0 HG2 GLN A 30 17.495 -1.035 7.418 1.00 1.15 H new ATOM 0 HG3 GLN A 30 17.542 0.584 8.088 1.00 1.15 H new ATOM 0 HE21 GLN A 30 18.735 -1.312 9.666 1.00 1.95 H new ATOM 0 HE22 GLN A 30 17.704 -1.739 11.035 1.00 1.95 H new ATOM 470 N ALA A 31 13.633 0.777 5.081 1.00 0.35 N ATOM 471 CA ALA A 31 12.266 0.770 4.484 1.00 0.32 C ATOM 472 C ALA A 31 12.311 0.064 3.128 1.00 0.29 C ATOM 473 O ALA A 31 11.559 -0.852 2.865 1.00 0.29 O ATOM 474 CB ALA A 31 11.892 2.245 4.317 1.00 0.34 C ATOM 0 H ALA A 31 14.019 1.703 5.268 1.00 0.35 H new ATOM 0 HA ALA A 31 11.538 0.244 5.102 1.00 0.32 H new ATOM 0 HB1 ALA A 31 10.896 2.321 3.882 1.00 0.34 H new ATOM 0 HB2 ALA A 31 11.901 2.735 5.291 1.00 0.34 H new ATOM 0 HB3 ALA A 31 12.613 2.731 3.660 1.00 0.34 H new ATOM 480 N ARG A 32 13.200 0.478 2.268 1.00 0.31 N ATOM 481 CA ARG A 32 13.309 -0.176 0.934 1.00 0.34 C ATOM 482 C ARG A 32 13.614 -1.669 1.105 1.00 0.31 C ATOM 483 O ARG A 32 12.996 -2.518 0.490 1.00 0.34 O ATOM 484 CB ARG A 32 14.473 0.535 0.242 1.00 0.41 C ATOM 485 CG ARG A 32 14.778 -0.156 -1.089 1.00 0.59 C ATOM 486 CD ARG A 32 15.851 -1.226 -0.876 1.00 1.00 C ATOM 487 NE ARG A 32 16.342 -1.553 -2.243 1.00 1.42 N ATOM 488 CZ ARG A 32 17.612 -1.441 -2.525 1.00 1.72 C ATOM 489 NH1 ARG A 32 18.216 -0.295 -2.372 1.00 2.23 N ATOM 490 NH2 ARG A 32 18.277 -2.477 -2.959 1.00 2.24 N ATOM 0 H ARG A 32 13.856 1.242 2.432 1.00 0.31 H new ATOM 0 HA ARG A 32 12.387 -0.103 0.357 1.00 0.34 H new ATOM 0 HB2 ARG A 32 14.223 1.582 0.071 1.00 0.41 H new ATOM 0 HB3 ARG A 32 15.355 0.519 0.882 1.00 0.41 H new ATOM 0 HG2 ARG A 32 13.872 -0.610 -1.491 1.00 0.59 H new ATOM 0 HG3 ARG A 32 15.120 0.576 -1.821 1.00 0.59 H new ATOM 0 HD2 ARG A 32 16.658 -0.856 -0.244 1.00 1.00 H new ATOM 0 HD3 ARG A 32 15.439 -2.106 -0.383 1.00 1.00 H new ATOM 0 HE ARG A 32 15.686 -1.865 -2.959 1.00 1.42 H new ATOM 0 HH11 ARG A 32 17.696 0.514 -2.032 1.00 2.23 H new ATOM 0 HH12 ARG A 32 19.208 -0.208 -2.592 1.00 2.23 H new ATOM 0 HH21 ARG A 32 17.805 -3.373 -3.078 1.00 2.24 H new ATOM 0 HH22 ARG A 32 19.269 -2.390 -3.180 1.00 2.24 H new ATOM 504 N TYR A 33 14.570 -1.992 1.936 1.00 0.33 N ATOM 505 CA TYR A 33 14.927 -3.425 2.149 1.00 0.34 C ATOM 506 C TYR A 33 13.712 -4.216 2.620 1.00 0.28 C ATOM 507 O TYR A 33 13.635 -5.419 2.463 1.00 0.26 O ATOM 508 CB TYR A 33 16.014 -3.409 3.224 1.00 0.42 C ATOM 509 CG TYR A 33 16.717 -4.745 3.250 1.00 0.60 C ATOM 510 CD1 TYR A 33 17.701 -5.036 2.298 1.00 0.83 C ATOM 511 CD2 TYR A 33 16.385 -5.692 4.226 1.00 0.87 C ATOM 512 CE1 TYR A 33 18.354 -6.275 2.322 1.00 1.08 C ATOM 513 CE2 TYR A 33 17.037 -6.930 4.250 1.00 1.10 C ATOM 514 CZ TYR A 33 18.022 -7.222 3.298 1.00 1.13 C ATOM 515 OH TYR A 33 18.665 -8.443 3.322 1.00 1.41 O ATOM 0 H TYR A 33 15.119 -1.324 2.477 1.00 0.33 H new ATOM 0 HA TYR A 33 15.270 -3.902 1.231 1.00 0.34 H new ATOM 0 HB2 TYR A 33 16.730 -2.613 3.020 1.00 0.42 H new ATOM 0 HB3 TYR A 33 15.573 -3.199 4.199 1.00 0.42 H new ATOM 0 HD1 TYR A 33 17.957 -4.305 1.545 1.00 0.83 H new ATOM 0 HD2 TYR A 33 15.626 -5.467 4.960 1.00 0.87 H new ATOM 0 HE1 TYR A 33 19.113 -6.500 1.588 1.00 1.08 H new ATOM 0 HE2 TYR A 33 16.781 -7.661 5.003 1.00 1.10 H new ATOM 0 HH TYR A 33 18.317 -8.982 4.063 1.00 1.41 H new ATOM 525 N TYR A 34 12.762 -3.545 3.188 1.00 0.28 N ATOM 526 CA TYR A 34 11.537 -4.246 3.668 1.00 0.26 C ATOM 527 C TYR A 34 10.637 -4.578 2.477 1.00 0.22 C ATOM 528 O TYR A 34 10.255 -5.713 2.273 1.00 0.24 O ATOM 529 CB TYR A 34 10.849 -3.260 4.613 1.00 0.30 C ATOM 530 CG TYR A 34 11.314 -3.511 6.027 1.00 0.37 C ATOM 531 CD1 TYR A 34 12.679 -3.660 6.298 1.00 0.82 C ATOM 532 CD2 TYR A 34 10.381 -3.595 7.066 1.00 0.94 C ATOM 533 CE1 TYR A 34 13.111 -3.893 7.609 1.00 0.86 C ATOM 534 CE2 TYR A 34 10.813 -3.828 8.378 1.00 1.04 C ATOM 535 CZ TYR A 34 12.178 -3.976 8.649 1.00 0.65 C ATOM 536 OH TYR A 34 12.604 -4.206 9.941 1.00 0.80 O ATOM 0 H TYR A 34 12.775 -2.537 3.344 1.00 0.28 H new ATOM 0 HA TYR A 34 11.764 -5.185 4.173 1.00 0.26 H new ATOM 0 HB2 TYR A 34 11.080 -2.236 4.319 1.00 0.30 H new ATOM 0 HB3 TYR A 34 9.767 -3.373 4.549 1.00 0.30 H new ATOM 0 HD1 TYR A 34 13.399 -3.595 5.496 1.00 0.82 H new ATOM 0 HD2 TYR A 34 9.328 -3.480 6.857 1.00 0.94 H new ATOM 0 HE1 TYR A 34 14.164 -4.009 7.818 1.00 0.86 H new ATOM 0 HE2 TYR A 34 10.093 -3.893 9.180 1.00 1.04 H new ATOM 0 HH TYR A 34 11.829 -4.234 10.541 1.00 0.80 H new ATOM 546 N LEU A 35 10.305 -3.599 1.680 1.00 0.23 N ATOM 547 CA LEU A 35 9.442 -3.867 0.496 1.00 0.26 C ATOM 548 C LEU A 35 9.975 -5.086 -0.260 1.00 0.26 C ATOM 549 O LEU A 35 9.223 -5.926 -0.715 1.00 0.30 O ATOM 550 CB LEU A 35 9.549 -2.611 -0.369 1.00 0.32 C ATOM 551 CG LEU A 35 9.029 -1.403 0.411 1.00 0.35 C ATOM 552 CD1 LEU A 35 9.774 -0.144 -0.038 1.00 0.60 C ATOM 553 CD2 LEU A 35 7.532 -1.231 0.142 1.00 0.61 C ATOM 0 H LEU A 35 10.594 -2.628 1.798 1.00 0.23 H new ATOM 0 HA LEU A 35 8.409 -4.079 0.770 1.00 0.26 H new ATOM 0 HB2 LEU A 35 10.586 -2.447 -0.663 1.00 0.32 H new ATOM 0 HB3 LEU A 35 8.974 -2.739 -1.286 1.00 0.32 H new ATOM 0 HG LEU A 35 9.193 -1.561 1.477 1.00 0.35 H new ATOM 0 HD11 LEU A 35 9.403 0.716 0.519 1.00 0.60 H new ATOM 0 HD12 LEU A 35 10.841 -0.266 0.151 1.00 0.60 H new ATOM 0 HD13 LEU A 35 9.610 0.015 -1.104 1.00 0.60 H new ATOM 0 HD21 LEU A 35 7.159 -0.370 0.697 1.00 0.61 H new ATOM 0 HD22 LEU A 35 7.370 -1.073 -0.924 1.00 0.61 H new ATOM 0 HD23 LEU A 35 7.000 -2.127 0.461 1.00 0.61 H new ATOM 565 N LEU A 36 11.270 -5.189 -0.394 1.00 0.26 N ATOM 566 CA LEU A 36 11.856 -6.355 -1.116 1.00 0.30 C ATOM 567 C LEU A 36 11.536 -7.651 -0.369 1.00 0.31 C ATOM 568 O LEU A 36 10.941 -8.562 -0.910 1.00 0.38 O ATOM 569 CB LEU A 36 13.363 -6.103 -1.121 1.00 0.34 C ATOM 570 CG LEU A 36 13.669 -4.857 -1.951 1.00 0.39 C ATOM 571 CD1 LEU A 36 15.074 -4.353 -1.616 1.00 0.47 C ATOM 572 CD2 LEU A 36 13.594 -5.207 -3.438 1.00 0.47 C ATOM 0 H LEU A 36 11.947 -4.516 -0.035 1.00 0.26 H new ATOM 0 HA LEU A 36 11.456 -6.459 -2.125 1.00 0.30 H new ATOM 0 HB2 LEU A 36 13.724 -5.971 -0.101 1.00 0.34 H new ATOM 0 HB3 LEU A 36 13.885 -6.966 -1.535 1.00 0.34 H new ATOM 0 HG LEU A 36 12.941 -4.079 -1.722 1.00 0.39 H new ATOM 0 HD11 LEU A 36 15.292 -3.464 -2.208 1.00 0.47 H new ATOM 0 HD12 LEU A 36 15.129 -4.105 -0.556 1.00 0.47 H new ATOM 0 HD13 LEU A 36 15.803 -5.130 -1.845 1.00 0.47 H new ATOM 0 HD21 LEU A 36 13.812 -4.320 -4.032 1.00 0.47 H new ATOM 0 HD22 LEU A 36 14.323 -5.984 -3.666 1.00 0.47 H new ATOM 0 HD23 LEU A 36 12.593 -5.567 -3.677 1.00 0.47 H new ATOM 584 N LEU A 37 11.929 -7.741 0.872 1.00 0.32 N ATOM 585 CA LEU A 37 11.651 -8.979 1.655 1.00 0.37 C ATOM 586 C LEU A 37 10.156 -9.306 1.613 1.00 0.36 C ATOM 587 O LEU A 37 9.764 -10.432 1.377 1.00 0.43 O ATOM 588 CB LEU A 37 12.088 -8.650 3.083 1.00 0.45 C ATOM 589 CG LEU A 37 13.598 -8.867 3.217 1.00 0.58 C ATOM 590 CD1 LEU A 37 14.247 -7.613 3.807 1.00 0.65 C ATOM 591 CD2 LEU A 37 13.862 -10.059 4.141 1.00 1.00 C ATOM 0 H LEU A 37 12.431 -7.011 1.378 1.00 0.32 H new ATOM 0 HA LEU A 37 12.177 -9.847 1.257 1.00 0.37 H new ATOM 0 HB2 LEU A 37 11.835 -7.617 3.323 1.00 0.45 H new ATOM 0 HB3 LEU A 37 11.554 -9.282 3.793 1.00 0.45 H new ATOM 0 HG LEU A 37 14.023 -9.066 2.233 1.00 0.58 H new ATOM 0 HD11 LEU A 37 15.322 -7.770 3.902 1.00 0.65 H new ATOM 0 HD12 LEU A 37 14.060 -6.763 3.150 1.00 0.65 H new ATOM 0 HD13 LEU A 37 13.822 -7.412 4.790 1.00 0.65 H new ATOM 0 HD21 LEU A 37 14.937 -10.214 4.237 1.00 1.00 H new ATOM 0 HD22 LEU A 37 13.435 -9.859 5.124 1.00 1.00 H new ATOM 0 HD23 LEU A 37 13.402 -10.954 3.721 1.00 1.00 H new ATOM 603 N LEU A 38 9.318 -8.331 1.837 1.00 0.34 N ATOM 604 CA LEU A 38 7.850 -8.589 1.807 1.00 0.39 C ATOM 605 C LEU A 38 7.417 -9.001 0.398 1.00 0.35 C ATOM 606 O LEU A 38 6.618 -9.899 0.222 1.00 0.39 O ATOM 607 CB LEU A 38 7.207 -7.259 2.199 1.00 0.45 C ATOM 608 CG LEU A 38 7.814 -6.767 3.514 1.00 0.48 C ATOM 609 CD1 LEU A 38 8.013 -5.252 3.450 1.00 0.61 C ATOM 610 CD2 LEU A 38 6.869 -7.109 4.669 1.00 0.83 C ATOM 0 H LEU A 38 9.586 -7.368 2.039 1.00 0.34 H new ATOM 0 HA LEU A 38 7.557 -9.396 2.478 1.00 0.39 H new ATOM 0 HB2 LEU A 38 7.367 -6.520 1.414 1.00 0.45 H new ATOM 0 HB3 LEU A 38 6.129 -7.382 2.307 1.00 0.45 H new ATOM 0 HG LEU A 38 8.777 -7.252 3.674 1.00 0.48 H new ATOM 0 HD11 LEU A 38 8.446 -4.902 4.387 1.00 0.61 H new ATOM 0 HD12 LEU A 38 8.684 -5.008 2.627 1.00 0.61 H new ATOM 0 HD13 LEU A 38 7.051 -4.765 3.290 1.00 0.61 H new ATOM 0 HD21 LEU A 38 7.300 -6.759 5.607 1.00 0.83 H new ATOM 0 HD22 LEU A 38 5.907 -6.623 4.508 1.00 0.83 H new ATOM 0 HD23 LEU A 38 6.727 -8.189 4.715 1.00 0.83 H new ATOM 622 N GLU A 39 7.940 -8.353 -0.607 1.00 0.36 N ATOM 623 CA GLU A 39 7.559 -8.712 -2.003 1.00 0.41 C ATOM 624 C GLU A 39 7.814 -10.200 -2.249 1.00 0.40 C ATOM 625 O GLU A 39 7.122 -10.842 -3.013 1.00 0.46 O ATOM 626 CB GLU A 39 8.463 -7.858 -2.893 1.00 0.50 C ATOM 627 CG GLU A 39 8.196 -8.191 -4.362 1.00 0.83 C ATOM 628 CD GLU A 39 9.525 -8.318 -5.107 1.00 1.09 C ATOM 629 OE1 GLU A 39 10.549 -8.036 -4.505 1.00 1.61 O ATOM 630 OE2 GLU A 39 9.498 -8.697 -6.266 1.00 1.81 O ATOM 0 H GLU A 39 8.614 -7.592 -0.522 1.00 0.36 H new ATOM 0 HA GLU A 39 6.503 -8.531 -2.205 1.00 0.41 H new ATOM 0 HB2 GLU A 39 8.277 -6.800 -2.709 1.00 0.50 H new ATOM 0 HB3 GLU A 39 9.509 -8.044 -2.651 1.00 0.50 H new ATOM 0 HG2 GLU A 39 7.634 -9.122 -4.438 1.00 0.83 H new ATOM 0 HG3 GLU A 39 7.585 -7.411 -4.817 1.00 0.83 H new ATOM 637 N LYS A 40 8.804 -10.755 -1.603 1.00 0.40 N ATOM 638 CA LYS A 40 9.102 -12.202 -1.798 1.00 0.46 C ATOM 639 C LYS A 40 7.954 -13.053 -1.251 1.00 0.46 C ATOM 640 O LYS A 40 7.682 -14.134 -1.737 1.00 0.55 O ATOM 641 CB LYS A 40 10.384 -12.454 -1.003 1.00 0.54 C ATOM 642 CG LYS A 40 11.514 -12.835 -1.961 1.00 1.17 C ATOM 643 CD LYS A 40 12.462 -11.647 -2.132 1.00 2.07 C ATOM 644 CE LYS A 40 13.865 -12.156 -2.472 1.00 2.73 C ATOM 645 NZ LYS A 40 14.766 -10.998 -2.219 1.00 3.42 N ATOM 0 H LYS A 40 9.418 -10.269 -0.950 1.00 0.40 H new ATOM 0 HA LYS A 40 9.219 -12.463 -2.850 1.00 0.46 H new ATOM 0 HB2 LYS A 40 10.656 -11.561 -0.440 1.00 0.54 H new ATOM 0 HB3 LYS A 40 10.224 -13.252 -0.278 1.00 0.54 H new ATOM 0 HG2 LYS A 40 12.059 -13.696 -1.573 1.00 1.17 H new ATOM 0 HG3 LYS A 40 11.103 -13.127 -2.927 1.00 1.17 H new ATOM 0 HD2 LYS A 40 12.100 -10.991 -2.924 1.00 2.07 H new ATOM 0 HD3 LYS A 40 12.490 -11.056 -1.216 1.00 2.07 H new ATOM 0 HE2 LYS A 40 14.136 -13.010 -1.852 1.00 2.73 H new ATOM 0 HE3 LYS A 40 13.925 -12.484 -3.510 1.00 2.73 H new ATOM 0 HZ1 LYS A 40 15.748 -11.269 -2.430 1.00 3.42 H new ATOM 0 HZ2 LYS A 40 14.488 -10.202 -2.828 1.00 3.42 H new ATOM 0 HZ3 LYS A 40 14.693 -10.712 -1.222 1.00 3.42 H new ATOM 659 N ALA A 41 7.277 -12.573 -0.244 1.00 0.44 N ATOM 660 CA ALA A 41 6.145 -13.353 0.334 1.00 0.53 C ATOM 661 C ALA A 41 4.893 -13.189 -0.532 1.00 0.57 C ATOM 662 O ALA A 41 4.022 -14.036 -0.548 1.00 0.72 O ATOM 663 CB ALA A 41 5.920 -12.753 1.722 1.00 0.60 C ATOM 0 H ALA A 41 7.458 -11.675 0.204 1.00 0.44 H new ATOM 0 HA ALA A 41 6.360 -14.421 0.381 1.00 0.53 H new ATOM 0 HB1 ALA A 41 5.100 -13.274 2.215 1.00 0.60 H new ATOM 0 HB2 ALA A 41 6.827 -12.860 2.316 1.00 0.60 H new ATOM 0 HB3 ALA A 41 5.672 -11.696 1.626 1.00 0.60 H new ATOM 669 N GLY A 42 4.796 -12.105 -1.252 1.00 0.58 N ATOM 670 CA GLY A 42 3.600 -11.888 -2.116 1.00 0.70 C ATOM 671 C GLY A 42 2.637 -10.921 -1.425 1.00 0.76 C ATOM 672 O GLY A 42 1.523 -10.720 -1.866 1.00 1.11 O ATOM 0 H GLY A 42 5.493 -11.360 -1.280 1.00 0.58 H new ATOM 0 HA2 GLY A 42 3.905 -11.485 -3.082 1.00 0.70 H new ATOM 0 HA3 GLY A 42 3.101 -12.838 -2.309 1.00 0.70 H new ATOM 676 N MET A 43 3.056 -10.321 -0.344 1.00 0.62 N ATOM 677 CA MET A 43 2.162 -9.367 0.374 1.00 0.70 C ATOM 678 C MET A 43 2.299 -7.963 -0.222 1.00 0.63 C ATOM 679 O MET A 43 1.482 -7.095 0.011 1.00 0.73 O ATOM 680 CB MET A 43 2.646 -9.385 1.824 1.00 0.75 C ATOM 681 CG MET A 43 2.176 -10.672 2.504 1.00 0.99 C ATOM 682 SD MET A 43 0.891 -10.280 3.717 1.00 1.72 S ATOM 683 CE MET A 43 0.573 -11.974 4.268 1.00 2.43 C ATOM 0 H MET A 43 3.978 -10.450 0.073 1.00 0.62 H new ATOM 0 HA MET A 43 1.111 -9.644 0.293 1.00 0.70 H new ATOM 0 HB2 MET A 43 3.734 -9.321 1.856 1.00 0.75 H new ATOM 0 HB3 MET A 43 2.259 -8.517 2.358 1.00 0.75 H new ATOM 0 HG2 MET A 43 1.789 -11.368 1.760 1.00 0.99 H new ATOM 0 HG3 MET A 43 3.016 -11.164 2.994 1.00 0.99 H new ATOM 0 HE1 MET A 43 -0.203 -11.968 5.033 1.00 2.43 H new ATOM 0 HE2 MET A 43 0.243 -12.576 3.421 1.00 2.43 H new ATOM 0 HE3 MET A 43 1.487 -12.400 4.682 1.00 2.43 H new ATOM 693 N VAL A 44 3.329 -7.735 -0.991 1.00 0.51 N ATOM 694 CA VAL A 44 3.522 -6.390 -1.605 1.00 0.46 C ATOM 695 C VAL A 44 3.999 -6.537 -3.052 1.00 0.43 C ATOM 696 O VAL A 44 4.413 -7.598 -3.473 1.00 0.45 O ATOM 697 CB VAL A 44 4.594 -5.711 -0.750 1.00 0.45 C ATOM 698 CG1 VAL A 44 4.260 -5.896 0.731 1.00 0.58 C ATOM 699 CG2 VAL A 44 5.958 -6.340 -1.047 1.00 0.50 C ATOM 0 H VAL A 44 4.046 -8.423 -1.221 1.00 0.51 H new ATOM 0 HA VAL A 44 2.599 -5.811 -1.631 1.00 0.46 H new ATOM 0 HB VAL A 44 4.625 -4.647 -0.985 1.00 0.45 H new ATOM 0 HG11 VAL A 44 5.024 -5.412 1.339 1.00 0.58 H new ATOM 0 HG12 VAL A 44 3.289 -5.448 0.944 1.00 0.58 H new ATOM 0 HG13 VAL A 44 4.228 -6.960 0.967 1.00 0.58 H new ATOM 0 HG21 VAL A 44 6.722 -5.857 -0.438 1.00 0.50 H new ATOM 0 HG22 VAL A 44 5.927 -7.404 -0.813 1.00 0.50 H new ATOM 0 HG23 VAL A 44 6.198 -6.208 -2.102 1.00 0.50 H new ATOM 709 N GLN A 45 3.943 -5.482 -3.817 1.00 0.41 N ATOM 710 CA GLN A 45 4.392 -5.568 -5.237 1.00 0.42 C ATOM 711 C GLN A 45 5.285 -4.375 -5.582 1.00 0.40 C ATOM 712 O GLN A 45 5.338 -3.397 -4.862 1.00 0.44 O ATOM 713 CB GLN A 45 3.106 -5.534 -6.063 1.00 0.50 C ATOM 714 CG GLN A 45 3.087 -6.725 -7.024 1.00 1.00 C ATOM 715 CD GLN A 45 2.108 -6.446 -8.166 1.00 1.20 C ATOM 716 OE1 GLN A 45 1.128 -5.751 -7.985 1.00 1.94 O ATOM 717 NE2 GLN A 45 2.332 -6.963 -9.343 1.00 1.66 N ATOM 0 H GLN A 45 3.607 -4.565 -3.522 1.00 0.41 H new ATOM 0 HA GLN A 45 4.976 -6.467 -5.432 1.00 0.42 H new ATOM 0 HB2 GLN A 45 2.237 -5.569 -5.405 1.00 0.50 H new ATOM 0 HB3 GLN A 45 3.045 -4.600 -6.622 1.00 0.50 H new ATOM 0 HG2 GLN A 45 4.086 -6.900 -7.423 1.00 1.00 H new ATOM 0 HG3 GLN A 45 2.793 -7.630 -6.492 1.00 1.00 H new ATOM 0 HE21 GLN A 45 3.155 -7.547 -9.496 1.00 1.66 H new ATOM 0 HE22 GLN A 45 1.685 -6.784 -10.110 1.00 1.66 H new ATOM 726 N ARG A 46 5.991 -4.448 -6.677 1.00 0.41 N ATOM 727 CA ARG A 46 6.885 -3.320 -7.066 1.00 0.43 C ATOM 728 C ARG A 46 6.847 -3.115 -8.582 1.00 0.51 C ATOM 729 O ARG A 46 6.546 -4.022 -9.333 1.00 0.59 O ATOM 730 CB ARG A 46 8.281 -3.752 -6.615 1.00 0.48 C ATOM 731 CG ARG A 46 9.336 -2.882 -7.303 1.00 1.00 C ATOM 732 CD ARG A 46 9.859 -3.603 -8.547 1.00 1.12 C ATOM 733 NE ARG A 46 11.041 -4.376 -8.074 1.00 1.03 N ATOM 734 CZ ARG A 46 11.404 -5.462 -8.700 1.00 1.30 C ATOM 735 NH1 ARG A 46 11.146 -5.600 -9.971 1.00 1.73 N ATOM 736 NH2 ARG A 46 12.025 -6.411 -8.054 1.00 1.77 N ATOM 0 H ARG A 46 5.988 -5.240 -7.320 1.00 0.41 H new ATOM 0 HA ARG A 46 6.584 -2.376 -6.612 1.00 0.43 H new ATOM 0 HB2 ARG A 46 8.369 -3.660 -5.532 1.00 0.48 H new ATOM 0 HB3 ARG A 46 8.445 -4.801 -6.860 1.00 0.48 H new ATOM 0 HG2 ARG A 46 8.905 -1.920 -7.581 1.00 1.00 H new ATOM 0 HG3 ARG A 46 10.157 -2.676 -6.616 1.00 1.00 H new ATOM 0 HD2 ARG A 46 9.100 -4.261 -8.970 1.00 1.12 H new ATOM 0 HD3 ARG A 46 10.137 -2.894 -9.327 1.00 1.12 H new ATOM 0 HE ARG A 46 11.567 -4.056 -7.261 1.00 1.03 H new ATOM 0 HH11 ARG A 46 10.660 -4.859 -10.476 1.00 1.73 H new ATOM 0 HH12 ARG A 46 11.430 -6.449 -10.460 1.00 1.73 H new ATOM 0 HH21 ARG A 46 12.227 -6.304 -7.060 1.00 1.77 H new ATOM 0 HH22 ARG A 46 12.309 -7.260 -8.543 1.00 1.77 H new ATOM 750 N SER A 47 7.144 -1.929 -9.038 1.00 0.57 N ATOM 751 CA SER A 47 7.118 -1.669 -10.506 1.00 0.69 C ATOM 752 C SER A 47 8.501 -1.229 -10.998 1.00 0.72 C ATOM 753 O SER A 47 9.156 -0.421 -10.370 1.00 0.75 O ATOM 754 CB SER A 47 6.103 -0.542 -10.688 1.00 0.81 C ATOM 755 OG SER A 47 4.837 -1.099 -11.016 1.00 1.67 O ATOM 0 H SER A 47 7.403 -1.130 -8.459 1.00 0.57 H new ATOM 0 HA SER A 47 6.851 -2.559 -11.076 1.00 0.69 H new ATOM 0 HB2 SER A 47 6.028 0.047 -9.774 1.00 0.81 H new ATOM 0 HB3 SER A 47 6.431 0.135 -11.477 1.00 0.81 H new ATOM 0 HG SER A 47 4.183 -0.379 -11.132 1.00 1.67 H new ATOM 761 N PRO A 48 8.890 -1.779 -12.117 1.00 0.97 N ATOM 762 CA PRO A 48 10.207 -1.448 -12.727 1.00 1.18 C ATOM 763 C PRO A 48 10.188 -0.018 -13.268 1.00 1.19 C ATOM 764 O PRO A 48 10.402 0.212 -14.442 1.00 1.43 O ATOM 765 CB PRO A 48 10.326 -2.445 -13.874 1.00 1.54 C ATOM 766 CG PRO A 48 8.913 -2.785 -14.211 1.00 1.55 C ATOM 767 CD PRO A 48 8.148 -2.753 -12.920 1.00 1.24 C ATOM 0 HA PRO A 48 11.036 -1.508 -12.022 1.00 1.18 H new ATOM 0 HB2 PRO A 48 10.845 -2.010 -14.728 1.00 1.54 H new ATOM 0 HB3 PRO A 48 10.888 -3.330 -13.576 1.00 1.54 H new ATOM 0 HG2 PRO A 48 8.501 -2.070 -14.924 1.00 1.55 H new ATOM 0 HG3 PRO A 48 8.851 -3.770 -14.675 1.00 1.55 H new ATOM 0 HD2 PRO A 48 7.114 -2.445 -13.072 1.00 1.24 H new ATOM 0 HD3 PRO A 48 8.122 -3.733 -12.443 1.00 1.24 H new ATOM 775 N LEU A 49 9.920 0.932 -12.417 1.00 1.46 N ATOM 776 CA LEU A 49 9.866 2.360 -12.846 1.00 1.61 C ATOM 777 C LEU A 49 10.865 2.641 -13.971 1.00 1.75 C ATOM 778 O LEU A 49 12.023 2.921 -13.733 1.00 2.40 O ATOM 779 CB LEU A 49 10.240 3.154 -11.598 1.00 2.48 C ATOM 780 CG LEU A 49 10.167 4.643 -11.915 1.00 3.18 C ATOM 781 CD1 LEU A 49 9.726 5.415 -10.672 1.00 4.12 C ATOM 782 CD2 LEU A 49 11.545 5.136 -12.361 1.00 3.95 C ATOM 0 H LEU A 49 9.733 0.778 -11.426 1.00 1.46 H new ATOM 0 HA LEU A 49 8.883 2.626 -13.236 1.00 1.61 H new ATOM 0 HB2 LEU A 49 9.562 2.910 -10.780 1.00 2.48 H new ATOM 0 HB3 LEU A 49 11.245 2.888 -11.270 1.00 2.48 H new ATOM 0 HG LEU A 49 9.444 4.807 -12.714 1.00 3.18 H new ATOM 0 HD11 LEU A 49 9.675 6.479 -10.903 1.00 4.12 H new ATOM 0 HD12 LEU A 49 8.743 5.065 -10.356 1.00 4.12 H new ATOM 0 HD13 LEU A 49 10.445 5.252 -9.869 1.00 4.12 H new ATOM 0 HD21 LEU A 49 11.494 6.201 -12.588 1.00 3.95 H new ATOM 0 HD22 LEU A 49 12.267 4.969 -11.562 1.00 3.95 H new ATOM 0 HD23 LEU A 49 11.856 4.590 -13.251 1.00 3.95 H new ATOM 794 N ARG A 50 10.421 2.574 -15.196 1.00 2.01 N ATOM 795 CA ARG A 50 11.339 2.846 -16.337 1.00 2.86 C ATOM 796 C ARG A 50 11.360 4.346 -16.644 1.00 3.28 C ATOM 797 O ARG A 50 11.898 4.779 -17.643 1.00 3.70 O ATOM 798 CB ARG A 50 10.753 2.064 -17.514 1.00 3.69 C ATOM 799 CG ARG A 50 9.398 2.659 -17.900 1.00 4.34 C ATOM 800 CD ARG A 50 8.324 1.570 -17.838 1.00 5.07 C ATOM 801 NE ARG A 50 7.309 1.973 -18.850 1.00 5.57 N ATOM 802 CZ ARG A 50 6.826 1.087 -19.678 1.00 6.01 C ATOM 803 NH1 ARG A 50 7.626 0.249 -20.276 1.00 6.49 N ATOM 804 NH2 ARG A 50 5.542 1.041 -19.907 1.00 6.22 N ATOM 0 H ARG A 50 9.462 2.343 -15.456 1.00 2.01 H new ATOM 0 HA ARG A 50 12.366 2.548 -16.125 1.00 2.86 H new ATOM 0 HB2 ARG A 50 11.434 2.102 -18.364 1.00 3.69 H new ATOM 0 HB3 ARG A 50 10.637 1.014 -17.245 1.00 3.69 H new ATOM 0 HG2 ARG A 50 9.142 3.475 -17.225 1.00 4.34 H new ATOM 0 HG3 ARG A 50 9.447 3.079 -18.904 1.00 4.34 H new ATOM 0 HD2 ARG A 50 8.742 0.590 -18.067 1.00 5.07 H new ATOM 0 HD3 ARG A 50 7.885 1.505 -16.843 1.00 5.07 H new ATOM 0 HE ARG A 50 6.991 2.941 -18.896 1.00 5.57 H new ATOM 0 HH11 ARG A 50 8.629 0.286 -20.097 1.00 6.49 H new ATOM 0 HH12 ARG A 50 7.248 -0.443 -20.923 1.00 6.49 H new ATOM 0 HH21 ARG A 50 4.917 1.697 -19.439 1.00 6.22 H new ATOM 0 HH22 ARG A 50 5.164 0.349 -20.554 1.00 6.22 H new ATOM 818 N ARG A 51 10.777 5.139 -15.787 1.00 3.72 N ATOM 819 CA ARG A 51 10.760 6.612 -16.021 1.00 4.46 C ATOM 820 C ARG A 51 11.024 7.357 -14.710 1.00 4.43 C ATOM 821 O ARG A 51 10.140 7.968 -14.143 1.00 4.71 O ATOM 822 CB ARG A 51 9.354 6.916 -16.538 1.00 5.16 C ATOM 823 CG ARG A 51 9.445 7.543 -17.930 1.00 6.00 C ATOM 824 CD ARG A 51 10.336 8.785 -17.874 1.00 6.44 C ATOM 825 NE ARG A 51 9.519 9.872 -18.481 1.00 7.31 N ATOM 826 CZ ARG A 51 9.958 10.508 -19.533 1.00 8.00 C ATOM 827 NH1 ARG A 51 11.168 10.997 -19.543 1.00 8.31 N ATOM 828 NH2 ARG A 51 9.186 10.656 -20.575 1.00 8.57 N ATOM 0 H ARG A 51 10.311 4.831 -14.934 1.00 3.72 H new ATOM 0 HA ARG A 51 11.529 6.928 -16.726 1.00 4.46 H new ATOM 0 HB2 ARG A 51 8.764 6.000 -16.578 1.00 5.16 H new ATOM 0 HB3 ARG A 51 8.843 7.594 -15.855 1.00 5.16 H new ATOM 0 HG2 ARG A 51 9.852 6.822 -18.639 1.00 6.00 H new ATOM 0 HG3 ARG A 51 8.450 7.812 -18.285 1.00 6.00 H new ATOM 0 HD2 ARG A 51 10.614 9.026 -16.848 1.00 6.44 H new ATOM 0 HD3 ARG A 51 11.263 8.632 -18.427 1.00 6.44 H new ATOM 0 HE ARG A 51 8.617 10.119 -18.075 1.00 7.31 H new ATOM 0 HH11 ARG A 51 11.771 10.882 -18.728 1.00 8.31 H new ATOM 0 HH12 ARG A 51 11.510 11.494 -20.365 1.00 8.31 H new ATOM 0 HH21 ARG A 51 8.240 10.275 -20.567 1.00 8.57 H new ATOM 0 HH22 ARG A 51 9.529 11.153 -21.397 1.00 8.57 H new ATOM 842 N GLY A 52 12.233 7.307 -14.224 1.00 4.44 N ATOM 843 CA GLY A 52 12.557 8.008 -12.949 1.00 4.67 C ATOM 844 C GLY A 52 13.897 7.495 -12.418 1.00 4.24 C ATOM 845 O GLY A 52 14.911 7.587 -13.080 1.00 4.59 O ATOM 0 H GLY A 52 13.012 6.810 -14.655 1.00 4.44 H new ATOM 0 HA2 GLY A 52 12.606 9.084 -13.114 1.00 4.67 H new ATOM 0 HA3 GLY A 52 11.771 7.834 -12.215 1.00 4.67 H new ATOM 849 N MET A 53 13.913 6.953 -11.230 1.00 3.87 N ATOM 850 CA MET A 53 15.194 6.436 -10.669 1.00 3.77 C ATOM 851 C MET A 53 14.977 5.851 -9.271 1.00 2.82 C ATOM 852 O MET A 53 15.666 6.198 -8.332 1.00 3.08 O ATOM 853 CB MET A 53 16.115 7.656 -10.598 1.00 4.56 C ATOM 854 CG MET A 53 15.422 8.775 -9.818 1.00 5.13 C ATOM 855 SD MET A 53 15.964 10.380 -10.456 1.00 6.26 S ATOM 856 CE MET A 53 14.321 11.056 -10.798 1.00 6.96 C ATOM 0 H MET A 53 13.098 6.846 -10.626 1.00 3.87 H new ATOM 0 HA MET A 53 15.613 5.637 -11.281 1.00 3.77 H new ATOM 0 HB2 MET A 53 17.054 7.388 -10.113 1.00 4.56 H new ATOM 0 HB3 MET A 53 16.361 7.998 -11.603 1.00 4.56 H new ATOM 0 HG2 MET A 53 14.340 8.681 -9.911 1.00 5.13 H new ATOM 0 HG3 MET A 53 15.659 8.694 -8.757 1.00 5.13 H new ATOM 0 HE1 MET A 53 14.419 12.062 -11.207 1.00 6.96 H new ATOM 0 HE2 MET A 53 13.808 10.419 -11.519 1.00 6.96 H new ATOM 0 HE3 MET A 53 13.744 11.095 -9.874 1.00 6.96 H new ATOM 866 N ALA A 54 14.030 4.963 -9.118 1.00 2.16 N ATOM 867 CA ALA A 54 13.793 4.368 -7.769 1.00 1.41 C ATOM 868 C ALA A 54 12.640 3.355 -7.796 1.00 1.14 C ATOM 869 O ALA A 54 12.014 3.100 -6.787 1.00 1.83 O ATOM 870 CB ALA A 54 13.436 5.554 -6.875 1.00 1.19 C ATOM 0 H ALA A 54 13.416 4.627 -9.860 1.00 2.16 H new ATOM 0 HA ALA A 54 14.667 3.823 -7.414 1.00 1.41 H new ATOM 0 HB1 ALA A 54 13.246 5.201 -5.861 1.00 1.19 H new ATOM 0 HB2 ALA A 54 14.264 6.263 -6.863 1.00 1.19 H new ATOM 0 HB3 ALA A 54 12.543 6.045 -7.262 1.00 1.19 H new ATOM 876 N THR A 55 12.359 2.766 -8.930 1.00 0.80 N ATOM 877 CA THR A 55 11.251 1.767 -8.994 1.00 0.60 C ATOM 878 C THR A 55 10.043 2.253 -8.187 1.00 0.53 C ATOM 879 O THR A 55 9.951 3.408 -7.820 1.00 0.64 O ATOM 880 CB THR A 55 11.833 0.496 -8.370 1.00 0.82 C ATOM 881 OG1 THR A 55 13.251 0.589 -8.341 1.00 1.33 O ATOM 882 CG2 THR A 55 11.418 -0.720 -9.198 1.00 1.06 C ATOM 0 H THR A 55 12.846 2.933 -9.810 1.00 0.80 H new ATOM 0 HA THR A 55 10.903 1.604 -10.014 1.00 0.60 H new ATOM 0 HB THR A 55 11.454 0.386 -7.354 1.00 0.82 H new ATOM 0 HG1 THR A 55 13.624 -0.224 -7.940 1.00 1.33 H new ATOM 0 HG21 THR A 55 11.834 -1.623 -8.751 1.00 1.06 H new ATOM 0 HG22 THR A 55 10.331 -0.793 -9.218 1.00 1.06 H new ATOM 0 HG23 THR A 55 11.793 -0.613 -10.216 1.00 1.06 H new ATOM 890 N TYR A 56 9.118 1.376 -7.907 1.00 0.43 N ATOM 891 CA TYR A 56 7.916 1.780 -7.119 1.00 0.41 C ATOM 892 C TYR A 56 7.431 0.615 -6.273 1.00 0.33 C ATOM 893 O TYR A 56 7.507 -0.530 -6.671 1.00 0.33 O ATOM 894 CB TYR A 56 6.866 2.173 -8.157 1.00 0.53 C ATOM 895 CG TYR A 56 6.662 3.669 -8.123 1.00 0.81 C ATOM 896 CD1 TYR A 56 7.599 4.516 -8.724 1.00 1.70 C ATOM 897 CD2 TYR A 56 5.535 4.208 -7.491 1.00 1.17 C ATOM 898 CE1 TYR A 56 7.411 5.903 -8.693 1.00 2.54 C ATOM 899 CE2 TYR A 56 5.347 5.596 -7.460 1.00 1.93 C ATOM 900 CZ TYR A 56 6.285 6.443 -8.061 1.00 2.56 C ATOM 901 OH TYR A 56 6.099 7.810 -8.030 1.00 3.46 O ATOM 0 H TYR A 56 9.142 0.396 -8.190 1.00 0.43 H new ATOM 0 HA TYR A 56 8.128 2.601 -6.434 1.00 0.41 H new ATOM 0 HB2 TYR A 56 7.187 1.861 -9.151 1.00 0.53 H new ATOM 0 HB3 TYR A 56 5.926 1.662 -7.951 1.00 0.53 H new ATOM 0 HD1 TYR A 56 8.468 4.100 -9.212 1.00 1.70 H new ATOM 0 HD2 TYR A 56 4.811 3.554 -7.028 1.00 1.17 H new ATOM 0 HE1 TYR A 56 8.135 6.556 -9.157 1.00 2.54 H new ATOM 0 HE2 TYR A 56 4.478 6.012 -6.972 1.00 1.93 H new ATOM 0 HH TYR A 56 5.268 8.016 -7.554 1.00 3.46 H new ATOM 911 N TRP A 57 6.939 0.894 -5.099 1.00 0.30 N ATOM 912 CA TRP A 57 6.463 -0.211 -4.235 1.00 0.30 C ATOM 913 C TRP A 57 5.115 0.144 -3.603 1.00 0.34 C ATOM 914 O TRP A 57 4.926 1.226 -3.083 1.00 0.44 O ATOM 915 CB TRP A 57 7.540 -0.374 -3.159 1.00 0.33 C ATOM 916 CG TRP A 57 8.896 -0.307 -3.788 1.00 0.31 C ATOM 917 CD1 TRP A 57 9.501 0.827 -4.209 1.00 0.37 C ATOM 918 CD2 TRP A 57 9.820 -1.396 -4.077 1.00 0.32 C ATOM 919 NE1 TRP A 57 10.738 0.504 -4.737 1.00 0.40 N ATOM 920 CE2 TRP A 57 10.980 -0.854 -4.679 1.00 0.37 C ATOM 921 CE3 TRP A 57 9.766 -2.787 -3.879 1.00 0.38 C ATOM 922 CZ2 TRP A 57 12.046 -1.664 -5.068 1.00 0.44 C ATOM 923 CZ3 TRP A 57 10.835 -3.604 -4.269 1.00 0.45 C ATOM 924 CH2 TRP A 57 11.972 -3.044 -4.862 1.00 0.47 C ATOM 0 H TRP A 57 6.848 1.831 -4.707 1.00 0.30 H new ATOM 0 HA TRP A 57 6.311 -1.132 -4.798 1.00 0.30 H new ATOM 0 HB2 TRP A 57 7.438 0.409 -2.407 1.00 0.33 H new ATOM 0 HB3 TRP A 57 7.413 -1.327 -2.646 1.00 0.33 H new ATOM 0 HD1 TRP A 57 9.086 1.822 -4.144 1.00 0.37 H new ATOM 0 HE1 TRP A 57 11.392 1.186 -5.122 1.00 0.40 H new ATOM 0 HE3 TRP A 57 8.893 -3.229 -3.422 1.00 0.38 H new ATOM 0 HZ2 TRP A 57 12.922 -1.228 -5.525 1.00 0.44 H new ATOM 0 HZ3 TRP A 57 10.781 -4.671 -4.111 1.00 0.45 H new ATOM 0 HH2 TRP A 57 12.793 -3.679 -5.161 1.00 0.47 H new ATOM 935 N PHE A 58 4.177 -0.763 -3.642 1.00 0.32 N ATOM 936 CA PHE A 58 2.840 -0.483 -3.044 1.00 0.37 C ATOM 937 C PHE A 58 2.153 -1.795 -2.652 1.00 0.36 C ATOM 938 O PHE A 58 2.441 -2.843 -3.195 1.00 0.41 O ATOM 939 CB PHE A 58 2.052 0.227 -4.145 1.00 0.44 C ATOM 940 CG PHE A 58 2.117 -0.585 -5.416 1.00 0.44 C ATOM 941 CD1 PHE A 58 3.187 -0.414 -6.303 1.00 0.66 C ATOM 942 CD2 PHE A 58 1.107 -1.510 -5.709 1.00 0.64 C ATOM 943 CE1 PHE A 58 3.248 -1.168 -7.481 1.00 0.87 C ATOM 944 CE2 PHE A 58 1.167 -2.263 -6.887 1.00 0.82 C ATOM 945 CZ PHE A 58 2.238 -2.092 -7.774 1.00 0.88 C ATOM 0 H PHE A 58 4.279 -1.687 -4.063 1.00 0.32 H new ATOM 0 HA PHE A 58 2.910 0.122 -2.140 1.00 0.37 H new ATOM 0 HB2 PHE A 58 1.015 0.358 -3.837 1.00 0.44 H new ATOM 0 HB3 PHE A 58 2.462 1.222 -4.316 1.00 0.44 H new ATOM 0 HD1 PHE A 58 3.966 0.300 -6.078 1.00 0.66 H new ATOM 0 HD2 PHE A 58 0.281 -1.642 -5.025 1.00 0.64 H new ATOM 0 HE1 PHE A 58 4.074 -1.037 -8.164 1.00 0.87 H new ATOM 0 HE2 PHE A 58 0.388 -2.976 -7.112 1.00 0.82 H new ATOM 0 HZ PHE A 58 2.284 -2.673 -8.683 1.00 0.88 H new ATOM 955 N LEU A 59 1.250 -1.745 -1.711 1.00 0.42 N ATOM 956 CA LEU A 59 0.546 -2.989 -1.283 1.00 0.46 C ATOM 957 C LEU A 59 0.175 -3.837 -2.503 1.00 0.49 C ATOM 958 O LEU A 59 0.149 -3.358 -3.619 1.00 0.65 O ATOM 959 CB LEU A 59 -0.714 -2.504 -0.565 1.00 0.62 C ATOM 960 CG LEU A 59 -0.964 -3.372 0.669 1.00 0.75 C ATOM 961 CD1 LEU A 59 0.021 -2.984 1.774 1.00 1.11 C ATOM 962 CD2 LEU A 59 -2.395 -3.154 1.164 1.00 1.41 C ATOM 0 H LEU A 59 0.969 -0.897 -1.219 1.00 0.42 H new ATOM 0 HA LEU A 59 1.167 -3.613 -0.641 1.00 0.46 H new ATOM 0 HB2 LEU A 59 -0.599 -1.461 -0.272 1.00 0.62 H new ATOM 0 HB3 LEU A 59 -1.570 -2.554 -1.237 1.00 0.62 H new ATOM 0 HG LEU A 59 -0.824 -4.421 0.409 1.00 0.75 H new ATOM 0 HD11 LEU A 59 -0.157 -3.603 2.654 1.00 1.11 H new ATOM 0 HD12 LEU A 59 1.041 -3.138 1.423 1.00 1.11 H new ATOM 0 HD13 LEU A 59 -0.119 -1.935 2.034 1.00 1.11 H new ATOM 0 HD21 LEU A 59 -2.574 -3.772 2.044 1.00 1.41 H new ATOM 0 HD22 LEU A 59 -2.534 -2.105 1.424 1.00 1.41 H new ATOM 0 HD23 LEU A 59 -3.098 -3.429 0.378 1.00 1.41 H new ATOM 974 N LYS A 60 -0.112 -5.093 -2.298 1.00 0.54 N ATOM 975 CA LYS A 60 -0.480 -5.973 -3.444 1.00 0.69 C ATOM 976 C LYS A 60 -1.802 -5.510 -4.063 1.00 1.34 C ATOM 977 O LYS A 60 -2.801 -6.198 -4.000 1.00 2.17 O ATOM 978 CB LYS A 60 -0.630 -7.369 -2.839 1.00 0.84 C ATOM 979 CG LYS A 60 -0.862 -8.389 -3.956 1.00 1.13 C ATOM 980 CD LYS A 60 0.457 -8.659 -4.682 1.00 1.50 C ATOM 981 CE LYS A 60 0.167 -9.139 -6.106 1.00 2.24 C ATOM 982 NZ LYS A 60 0.626 -10.556 -6.135 1.00 2.84 N ATOM 0 H LYS A 60 -0.108 -5.549 -1.386 1.00 0.54 H new ATOM 0 HA LYS A 60 0.266 -5.952 -4.238 1.00 0.69 H new ATOM 0 HB2 LYS A 60 0.265 -7.630 -2.274 1.00 0.84 H new ATOM 0 HB3 LYS A 60 -1.465 -7.385 -2.138 1.00 0.84 H new ATOM 0 HG2 LYS A 60 -1.257 -9.316 -3.540 1.00 1.13 H new ATOM 0 HG3 LYS A 60 -1.606 -8.012 -4.658 1.00 1.13 H new ATOM 0 HD2 LYS A 60 1.062 -7.753 -4.709 1.00 1.50 H new ATOM 0 HD3 LYS A 60 1.033 -9.411 -4.144 1.00 1.50 H new ATOM 0 HE2 LYS A 60 -0.895 -9.063 -6.340 1.00 2.24 H new ATOM 0 HE3 LYS A 60 0.699 -8.536 -6.842 1.00 2.24 H new ATOM 0 HZ1 LYS A 60 0.460 -10.955 -7.081 1.00 2.84 H new ATOM 0 HZ2 LYS A 60 1.642 -10.596 -5.915 1.00 2.84 H new ATOM 0 HZ3 LYS A 60 0.097 -11.107 -5.429 1.00 2.84 H new ATOM 996 N GLY A 61 -1.815 -4.350 -4.661 1.00 1.75 N ATOM 997 CA GLY A 61 -3.072 -3.847 -5.282 1.00 2.45 C ATOM 998 C GLY A 61 -4.128 -3.637 -4.199 1.00 2.70 C ATOM 999 O GLY A 61 -4.429 -2.524 -3.817 1.00 3.17 O ATOM 0 H GLY A 61 -1.010 -3.730 -4.746 1.00 1.75 H new ATOM 0 HA2 GLY A 61 -2.882 -2.910 -5.805 1.00 2.45 H new ATOM 0 HA3 GLY A 61 -3.434 -4.559 -6.024 1.00 2.45 H new ATOM 1003 N GLU A 62 -4.695 -4.701 -3.704 1.00 3.08 N ATOM 1004 CA GLU A 62 -5.736 -4.571 -2.649 1.00 3.84 C ATOM 1005 C GLU A 62 -6.188 -5.960 -2.186 1.00 4.13 C ATOM 1006 O GLU A 62 -5.445 -6.683 -1.553 1.00 4.46 O ATOM 1007 CB GLU A 62 -6.878 -3.803 -3.319 1.00 4.44 C ATOM 1008 CG GLU A 62 -7.965 -3.503 -2.286 1.00 5.06 C ATOM 1009 CD GLU A 62 -9.337 -3.552 -2.959 1.00 5.38 C ATOM 1010 OE1 GLU A 62 -9.407 -4.019 -4.084 1.00 5.74 O ATOM 1011 OE2 GLU A 62 -10.296 -3.124 -2.337 1.00 5.63 O ATOM 0 H GLU A 62 -4.481 -5.658 -3.986 1.00 3.08 H new ATOM 0 HA GLU A 62 -5.377 -4.053 -1.760 1.00 3.84 H new ATOM 0 HB2 GLU A 62 -6.503 -2.874 -3.748 1.00 4.44 H new ATOM 0 HB3 GLU A 62 -7.293 -4.389 -4.139 1.00 4.44 H new ATOM 0 HG2 GLU A 62 -7.920 -4.229 -1.474 1.00 5.06 H new ATOM 0 HG3 GLU A 62 -7.800 -2.520 -1.844 1.00 5.06 H new ATOM 1018 N LYS A 63 -7.393 -6.339 -2.496 1.00 4.48 N ATOM 1019 CA LYS A 63 -7.885 -7.682 -2.072 1.00 5.14 C ATOM 1020 C LYS A 63 -9.011 -8.149 -2.997 1.00 5.61 C ATOM 1021 O LYS A 63 -9.430 -7.439 -3.890 1.00 6.11 O ATOM 1022 CB LYS A 63 -8.406 -7.482 -0.649 1.00 5.79 C ATOM 1023 CG LYS A 63 -7.478 -8.191 0.340 1.00 6.25 C ATOM 1024 CD LYS A 63 -8.277 -8.620 1.572 1.00 7.01 C ATOM 1025 CE LYS A 63 -7.608 -9.836 2.218 1.00 7.82 C ATOM 1026 NZ LYS A 63 -8.290 -11.014 1.615 1.00 8.51 N ATOM 0 H LYS A 63 -8.061 -5.779 -3.025 1.00 4.48 H new ATOM 0 HA LYS A 63 -7.104 -8.441 -2.116 1.00 5.14 H new ATOM 0 HB2 LYS A 63 -8.459 -6.418 -0.416 1.00 5.79 H new ATOM 0 HB3 LYS A 63 -9.418 -7.878 -0.562 1.00 5.79 H new ATOM 0 HG2 LYS A 63 -7.022 -9.061 -0.132 1.00 6.25 H new ATOM 0 HG3 LYS A 63 -6.666 -7.526 0.634 1.00 6.25 H new ATOM 0 HD2 LYS A 63 -8.331 -7.799 2.287 1.00 7.01 H new ATOM 0 HD3 LYS A 63 -9.301 -8.863 1.288 1.00 7.01 H new ATOM 0 HE2 LYS A 63 -6.537 -9.852 2.014 1.00 7.82 H new ATOM 0 HE3 LYS A 63 -7.726 -9.823 3.301 1.00 7.82 H new ATOM 0 HZ1 LYS A 63 -7.886 -11.888 2.008 1.00 8.51 H new ATOM 0 HZ2 LYS A 63 -9.307 -10.975 1.831 1.00 8.51 H new ATOM 0 HZ3 LYS A 63 -8.154 -11.003 0.584 1.00 8.51 H new ATOM 1040 N GLN A 64 -9.505 -9.340 -2.791 1.00 5.82 N ATOM 1041 CA GLN A 64 -10.605 -9.852 -3.659 1.00 6.60 C ATOM 1042 C GLN A 64 -10.188 -9.798 -5.131 1.00 6.87 C ATOM 1043 O GLN A 64 -11.012 -9.858 -6.022 1.00 7.25 O ATOM 1044 CB GLN A 64 -11.783 -8.914 -3.399 1.00 7.22 C ATOM 1045 CG GLN A 64 -12.349 -9.179 -2.003 1.00 8.00 C ATOM 1046 CD GLN A 64 -13.282 -10.390 -2.051 1.00 8.62 C ATOM 1047 OE1 GLN A 64 -14.052 -10.541 -2.979 1.00 8.94 O ATOM 1048 NE2 GLN A 64 -13.246 -11.265 -1.084 1.00 9.04 N ATOM 0 H GLN A 64 -9.195 -9.980 -2.060 1.00 5.82 H new ATOM 0 HA GLN A 64 -10.855 -10.890 -3.440 1.00 6.60 H new ATOM 0 HB2 GLN A 64 -11.460 -7.876 -3.481 1.00 7.22 H new ATOM 0 HB3 GLN A 64 -12.556 -9.067 -4.152 1.00 7.22 H new ATOM 0 HG2 GLN A 64 -11.537 -9.360 -1.298 1.00 8.00 H new ATOM 0 HG3 GLN A 64 -12.891 -8.303 -1.647 1.00 8.00 H new ATOM 0 HE21 GLN A 64 -12.600 -11.138 -0.305 1.00 9.04 H new ATOM 0 HE22 GLN A 64 -13.864 -12.076 -1.107 1.00 9.04 H new ATOM 1057 N ALA A 65 -8.915 -9.685 -5.394 1.00 7.02 N ATOM 1058 CA ALA A 65 -8.448 -9.628 -6.809 1.00 7.64 C ATOM 1059 C ALA A 65 -8.023 -11.022 -7.281 1.00 7.86 C ATOM 1060 O ALA A 65 -7.353 -11.170 -8.283 1.00 7.96 O ATOM 1061 CB ALA A 65 -7.251 -8.679 -6.794 1.00 7.85 C ATOM 0 H ALA A 65 -8.178 -9.630 -4.691 1.00 7.02 H new ATOM 0 HA ALA A 65 -9.229 -9.287 -7.488 1.00 7.64 H new ATOM 0 HB1 ALA A 65 -6.849 -8.584 -7.803 1.00 7.85 H new ATOM 0 HB2 ALA A 65 -7.568 -7.699 -6.436 1.00 7.85 H new ATOM 0 HB3 ALA A 65 -6.481 -9.075 -6.133 1.00 7.85 H new ATOM 1067 N GLY A 66 -8.409 -12.043 -6.566 1.00 8.22 N ATOM 1068 CA GLY A 66 -8.027 -13.425 -6.974 1.00 8.76 C ATOM 1069 C GLY A 66 -8.949 -14.433 -6.286 1.00 9.04 C ATOM 1070 O GLY A 66 -9.513 -15.305 -6.918 1.00 9.26 O ATOM 0 H GLY A 66 -8.972 -11.980 -5.718 1.00 8.22 H new ATOM 0 HA2 GLY A 66 -8.100 -13.529 -8.057 1.00 8.76 H new ATOM 0 HA3 GLY A 66 -6.989 -13.622 -6.704 1.00 8.76 H new ATOM 1074 N GLN A 67 -9.106 -14.323 -4.995 1.00 9.26 N ATOM 1075 CA GLN A 67 -9.992 -15.276 -4.267 1.00 9.75 C ATOM 1076 C GLN A 67 -11.363 -14.641 -4.023 1.00 9.79 C ATOM 1077 O GLN A 67 -12.054 -14.975 -3.080 1.00 10.01 O ATOM 1078 CB GLN A 67 -9.278 -15.544 -2.941 1.00 10.21 C ATOM 1079 CG GLN A 67 -10.149 -16.444 -2.063 1.00 10.72 C ATOM 1080 CD GLN A 67 -10.576 -15.677 -0.810 1.00 11.41 C ATOM 1081 OE1 GLN A 67 -9.835 -14.858 -0.304 1.00 11.82 O ATOM 1082 NE2 GLN A 67 -11.748 -15.908 -0.285 1.00 11.75 N ATOM 0 H GLN A 67 -8.659 -13.615 -4.413 1.00 9.26 H new ATOM 0 HA GLN A 67 -10.165 -16.194 -4.829 1.00 9.75 H new ATOM 0 HB2 GLN A 67 -8.315 -16.020 -3.125 1.00 10.21 H new ATOM 0 HB3 GLN A 67 -9.076 -14.604 -2.428 1.00 10.21 H new ATOM 0 HG2 GLN A 67 -11.028 -16.772 -2.619 1.00 10.72 H new ATOM 0 HG3 GLN A 67 -9.597 -17.341 -1.783 1.00 10.72 H new ATOM 0 HE21 GLN A 67 -12.370 -16.596 -0.710 1.00 11.75 H new ATOM 0 HE22 GLN A 67 -12.042 -15.401 0.550 1.00 11.75 H new ATOM 1091 N SER A 68 -11.764 -13.729 -4.865 1.00 9.82 N ATOM 1092 CA SER A 68 -13.091 -13.075 -4.682 1.00 10.13 C ATOM 1093 C SER A 68 -14.173 -14.132 -4.448 1.00 10.06 C ATOM 1094 O SER A 68 -14.697 -14.713 -5.377 1.00 9.97 O ATOM 1095 CB SER A 68 -13.346 -12.327 -5.989 1.00 10.49 C ATOM 1096 OG SER A 68 -13.956 -11.075 -5.702 1.00 10.97 O ATOM 0 H SER A 68 -11.230 -13.408 -5.673 1.00 9.82 H new ATOM 0 HA SER A 68 -13.108 -12.408 -3.820 1.00 10.13 H new ATOM 0 HB2 SER A 68 -12.408 -12.174 -6.523 1.00 10.49 H new ATOM 0 HB3 SER A 68 -13.990 -12.918 -6.640 1.00 10.49 H new ATOM 0 HG SER A 68 -14.026 -10.960 -4.731 1.00 10.97 H new ATOM 1102 N CYS A 69 -14.510 -14.386 -3.213 1.00 10.34 N ATOM 1103 CA CYS A 69 -15.558 -15.406 -2.922 1.00 10.55 C ATOM 1104 C CYS A 69 -15.130 -16.772 -3.466 1.00 10.69 C ATOM 1105 O CYS A 69 -15.922 -17.688 -3.566 1.00 10.88 O ATOM 1106 CB CYS A 69 -16.809 -14.907 -3.645 1.00 11.10 C ATOM 1107 SG CYS A 69 -17.095 -13.169 -3.226 1.00 11.57 S ATOM 0 H CYS A 69 -14.106 -13.932 -2.394 1.00 10.34 H new ATOM 0 HA CYS A 69 -15.729 -15.530 -1.853 1.00 10.55 H new ATOM 0 HB2 CYS A 69 -16.688 -15.017 -4.723 1.00 11.10 H new ATOM 0 HB3 CYS A 69 -17.672 -15.508 -3.358 1.00 11.10 H new ATOM 0 HG CYS A 69 -18.157 -12.743 -3.842 1.00 11.57 H new ATOM 1113 N SER A 70 -13.881 -16.915 -3.817 1.00 10.81 N ATOM 1114 CA SER A 70 -13.401 -18.221 -4.354 1.00 11.15 C ATOM 1115 C SER A 70 -14.063 -18.517 -5.703 1.00 11.16 C ATOM 1116 O SER A 70 -13.927 -19.595 -6.248 1.00 11.46 O ATOM 1117 CB SER A 70 -13.822 -19.256 -3.312 1.00 11.62 C ATOM 1118 OG SER A 70 -12.736 -20.138 -3.062 1.00 11.83 O ATOM 0 H SER A 70 -13.172 -16.184 -3.755 1.00 10.81 H new ATOM 0 HA SER A 70 -12.324 -18.226 -4.523 1.00 11.15 H new ATOM 0 HB2 SER A 70 -14.122 -18.759 -2.389 1.00 11.62 H new ATOM 0 HB3 SER A 70 -14.686 -19.817 -3.668 1.00 11.62 H new ATOM 0 HG SER A 70 -13.002 -20.803 -2.393 1.00 11.83 H new ATOM 1124 N SER A 71 -14.777 -17.570 -6.247 1.00 10.99 N ATOM 1125 CA SER A 71 -15.446 -17.800 -7.560 1.00 11.16 C ATOM 1126 C SER A 71 -16.084 -19.192 -7.592 1.00 11.26 C ATOM 1127 O SER A 71 -15.911 -19.944 -8.531 1.00 11.25 O ATOM 1128 CB SER A 71 -14.327 -17.700 -8.596 1.00 11.08 C ATOM 1129 OG SER A 71 -14.359 -16.412 -9.199 1.00 11.28 O ATOM 0 H SER A 71 -14.926 -16.647 -5.840 1.00 10.99 H new ATOM 0 HA SER A 71 -16.243 -17.081 -7.749 1.00 11.16 H new ATOM 0 HB2 SER A 71 -13.360 -17.868 -8.121 1.00 11.08 H new ATOM 0 HB3 SER A 71 -14.448 -18.473 -9.355 1.00 11.08 H new ATOM 0 HG SER A 71 -13.641 -16.344 -9.863 1.00 11.28 H new ATOM 1135 N THR A 72 -16.820 -19.541 -6.573 1.00 11.55 N ATOM 1136 CA THR A 72 -17.468 -20.884 -6.544 1.00 11.85 C ATOM 1137 C THR A 72 -18.964 -20.758 -6.845 1.00 12.09 C ATOM 1138 O THR A 72 -19.750 -21.618 -6.501 1.00 12.36 O ATOM 1139 CB THR A 72 -17.250 -21.397 -5.120 1.00 12.36 C ATOM 1140 OG1 THR A 72 -17.596 -20.376 -4.194 1.00 12.64 O ATOM 1141 CG2 THR A 72 -15.782 -21.783 -4.933 1.00 12.24 C ATOM 0 H THR A 72 -17.001 -18.954 -5.758 1.00 11.55 H new ATOM 0 HA THR A 72 -17.050 -21.560 -7.291 1.00 11.85 H new ATOM 0 HB THR A 72 -17.877 -22.272 -4.948 1.00 12.36 H new ATOM 0 HG1 THR A 72 -17.459 -20.703 -3.280 1.00 12.64 H new ATOM 0 HG21 THR A 72 -15.628 -22.148 -3.918 1.00 12.24 H new ATOM 0 HG22 THR A 72 -15.518 -22.566 -5.644 1.00 12.24 H new ATOM 0 HG23 THR A 72 -15.152 -20.910 -5.104 1.00 12.24 H new ATOM 1149 N THR A 73 -19.364 -19.693 -7.483 1.00 12.15 N ATOM 1150 CA THR A 73 -20.809 -19.515 -7.803 1.00 12.53 C ATOM 1151 C THR A 73 -20.980 -19.068 -9.257 1.00 12.69 C ATOM 1152 O THR A 73 -21.841 -18.271 -9.574 1.00 12.81 O ATOM 1153 CB THR A 73 -21.295 -18.426 -6.846 1.00 12.82 C ATOM 1154 OG1 THR A 73 -20.385 -18.310 -5.762 1.00 12.89 O ATOM 1155 CG2 THR A 73 -22.682 -18.791 -6.314 1.00 13.31 C ATOM 0 H THR A 73 -18.753 -18.938 -7.797 1.00 12.15 H new ATOM 0 HA THR A 73 -21.374 -20.440 -7.689 1.00 12.53 H new ATOM 0 HB THR A 73 -21.352 -17.476 -7.377 1.00 12.82 H new ATOM 0 HG1 THR A 73 -20.694 -17.611 -5.149 1.00 12.89 H new ATOM 0 HG21 THR A 73 -23.026 -18.013 -5.632 1.00 13.31 H new ATOM 0 HG22 THR A 73 -23.380 -18.878 -7.147 1.00 13.31 H new ATOM 0 HG23 THR A 73 -22.630 -19.742 -5.783 1.00 13.31 H new ATOM 1163 N LEU A 74 -20.167 -19.573 -10.144 1.00 12.88 N ATOM 1164 CA LEU A 74 -20.286 -19.173 -11.576 1.00 13.21 C ATOM 1165 C LEU A 74 -20.333 -20.415 -12.472 1.00 13.33 C ATOM 1166 O LEU A 74 -20.152 -20.333 -13.670 1.00 13.27 O ATOM 1167 CB LEU A 74 -19.028 -18.353 -11.865 1.00 13.18 C ATOM 1168 CG LEU A 74 -18.811 -17.334 -10.746 1.00 13.13 C ATOM 1169 CD1 LEU A 74 -17.435 -16.685 -10.905 1.00 13.18 C ATOM 1170 CD2 LEU A 74 -19.895 -16.255 -10.822 1.00 13.36 C ATOM 0 H LEU A 74 -19.426 -20.244 -9.940 1.00 12.88 H new ATOM 0 HA LEU A 74 -21.197 -18.606 -11.771 1.00 13.21 H new ATOM 0 HB2 LEU A 74 -18.163 -19.011 -11.944 1.00 13.18 H new ATOM 0 HB3 LEU A 74 -19.127 -17.841 -12.822 1.00 13.18 H new ATOM 0 HG LEU A 74 -18.865 -17.838 -9.781 1.00 13.13 H new ATOM 0 HD11 LEU A 74 -17.281 -15.959 -10.107 1.00 13.18 H new ATOM 0 HD12 LEU A 74 -16.663 -17.452 -10.852 1.00 13.18 H new ATOM 0 HD13 LEU A 74 -17.380 -16.181 -11.870 1.00 13.18 H new ATOM 0 HD21 LEU A 74 -19.741 -15.528 -10.025 1.00 13.36 H new ATOM 0 HD22 LEU A 74 -19.840 -15.752 -11.787 1.00 13.36 H new ATOM 0 HD23 LEU A 74 -20.876 -16.716 -10.708 1.00 13.36 H new ATOM 1182 N GLU A 75 -20.575 -21.563 -11.901 1.00 13.65 N ATOM 1183 CA GLU A 75 -20.632 -22.806 -12.724 1.00 13.90 C ATOM 1184 C GLU A 75 -21.938 -23.560 -12.457 1.00 14.03 C ATOM 1185 O GLU A 75 -22.019 -24.759 -12.636 1.00 13.92 O ATOM 1186 CB GLU A 75 -19.431 -23.637 -12.270 1.00 14.17 C ATOM 1187 CG GLU A 75 -18.767 -24.282 -13.488 1.00 14.24 C ATOM 1188 CD GLU A 75 -17.261 -24.400 -13.245 1.00 14.18 C ATOM 1189 OE1 GLU A 75 -16.852 -24.253 -12.106 1.00 14.19 O ATOM 1190 OE2 GLU A 75 -16.543 -24.635 -14.203 1.00 14.27 O ATOM 0 H GLU A 75 -20.736 -21.695 -10.902 1.00 13.65 H new ATOM 0 HA GLU A 75 -20.601 -22.594 -13.793 1.00 13.90 H new ATOM 0 HB2 GLU A 75 -18.715 -23.004 -11.745 1.00 14.17 H new ATOM 0 HB3 GLU A 75 -19.752 -24.406 -11.568 1.00 14.17 H new ATOM 0 HG2 GLU A 75 -19.195 -25.268 -13.670 1.00 14.24 H new ATOM 0 HG3 GLU A 75 -18.957 -23.683 -14.379 1.00 14.24 H new ATOM 1197 N HIS A 76 -22.959 -22.865 -12.032 1.00 14.41 N ATOM 1198 CA HIS A 76 -24.262 -23.537 -11.752 1.00 14.69 C ATOM 1199 C HIS A 76 -24.076 -24.658 -10.724 1.00 14.81 C ATOM 1200 O HIS A 76 -23.375 -25.621 -10.959 1.00 14.81 O ATOM 1201 CB HIS A 76 -24.714 -24.109 -13.097 1.00 14.99 C ATOM 1202 CG HIS A 76 -25.132 -22.983 -14.002 1.00 15.39 C ATOM 1203 ND1 HIS A 76 -25.913 -21.928 -13.557 1.00 15.55 N ATOM 1204 CD2 HIS A 76 -24.885 -22.732 -15.329 1.00 15.85 C ATOM 1205 CE1 HIS A 76 -26.107 -21.099 -14.599 1.00 16.08 C ATOM 1206 NE2 HIS A 76 -25.501 -21.542 -15.704 1.00 16.28 N ATOM 0 H HIS A 76 -22.947 -21.859 -11.866 1.00 14.41 H new ATOM 0 HA HIS A 76 -24.997 -22.848 -11.336 1.00 14.69 H new ATOM 0 HB2 HIS A 76 -23.904 -24.676 -13.554 1.00 14.99 H new ATOM 0 HB3 HIS A 76 -25.544 -24.800 -12.951 1.00 14.99 H new ATOM 0 HD2 HIS A 76 -24.301 -23.363 -15.983 1.00 15.85 H new ATOM 0 HE1 HIS A 76 -26.683 -20.187 -14.548 1.00 16.08 H new ATOM 0 HE2 HIS A 76 -25.492 -21.103 -16.624 1.00 16.28 H new ATOM 1214 N HIS A 77 -24.702 -24.538 -9.586 1.00 15.04 N ATOM 1215 CA HIS A 77 -24.562 -25.594 -8.542 1.00 15.31 C ATOM 1216 C HIS A 77 -25.047 -26.942 -9.082 1.00 15.52 C ATOM 1217 O HIS A 77 -26.215 -27.267 -9.009 1.00 15.87 O ATOM 1218 CB HIS A 77 -25.451 -25.128 -7.389 1.00 15.56 C ATOM 1219 CG HIS A 77 -26.798 -24.728 -7.924 1.00 15.76 C ATOM 1220 ND1 HIS A 77 -27.703 -23.993 -7.174 1.00 16.15 N ATOM 1221 CD2 HIS A 77 -27.408 -24.952 -9.134 1.00 15.81 C ATOM 1222 CE1 HIS A 77 -28.798 -23.803 -7.933 1.00 16.41 C ATOM 1223 NE2 HIS A 77 -28.671 -24.367 -9.137 1.00 16.23 N ATOM 0 H HIS A 77 -25.305 -23.755 -9.333 1.00 15.04 H new ATOM 0 HA HIS A 77 -23.527 -25.732 -8.231 1.00 15.31 H new ATOM 0 HB2 HIS A 77 -25.562 -25.927 -6.656 1.00 15.56 H new ATOM 0 HB3 HIS A 77 -24.987 -24.286 -6.876 1.00 15.56 H new ATOM 0 HD1 HIS A 77 -27.564 -23.657 -6.221 1.00 16.15 H new ATOM 0 HD2 HIS A 77 -26.974 -25.499 -9.958 1.00 15.81 H new ATOM 0 HE1 HIS A 77 -29.673 -23.260 -7.608 1.00 16.41 H new ATOM 1231 N HIS A 78 -24.158 -27.730 -9.622 1.00 15.45 N ATOM 1232 CA HIS A 78 -24.570 -29.057 -10.164 1.00 15.80 C ATOM 1233 C HIS A 78 -25.662 -28.882 -11.223 1.00 15.64 C ATOM 1234 O HIS A 78 -26.805 -28.618 -10.910 1.00 15.54 O ATOM 1235 CB HIS A 78 -25.112 -29.825 -8.957 1.00 16.17 C ATOM 1236 CG HIS A 78 -25.432 -31.237 -9.363 1.00 16.60 C ATOM 1237 ND1 HIS A 78 -26.650 -31.831 -9.073 1.00 16.92 N ATOM 1238 CD2 HIS A 78 -24.702 -32.187 -10.035 1.00 16.94 C ATOM 1239 CE1 HIS A 78 -26.618 -33.083 -9.565 1.00 17.41 C ATOM 1240 NE2 HIS A 78 -25.453 -33.351 -10.161 1.00 17.45 N ATOM 0 H HIS A 78 -23.165 -27.513 -9.712 1.00 15.45 H new ATOM 0 HA HIS A 78 -23.744 -29.581 -10.645 1.00 15.80 H new ATOM 0 HB2 HIS A 78 -24.377 -29.825 -8.152 1.00 16.17 H new ATOM 0 HB3 HIS A 78 -26.006 -29.335 -8.572 1.00 16.17 H new ATOM 0 HD2 HIS A 78 -23.698 -32.051 -10.409 1.00 16.94 H new ATOM 0 HE1 HIS A 78 -27.435 -33.786 -9.487 1.00 17.41 H new ATOM 0 HE2 HIS A 78 -25.174 -34.222 -10.612 1.00 17.45 H new ATOM 1248 N HIS A 79 -25.318 -29.029 -12.474 1.00 15.75 N ATOM 1249 CA HIS A 79 -26.338 -28.873 -13.551 1.00 15.74 C ATOM 1250 C HIS A 79 -27.642 -29.566 -13.147 1.00 16.22 C ATOM 1251 O HIS A 79 -27.645 -30.503 -12.375 1.00 16.62 O ATOM 1252 CB HIS A 79 -25.727 -29.554 -14.776 1.00 15.74 C ATOM 1253 CG HIS A 79 -25.415 -30.987 -14.447 1.00 15.44 C ATOM 1254 ND1 HIS A 79 -26.403 -31.953 -14.343 1.00 15.47 N ATOM 1255 CD2 HIS A 79 -24.230 -31.634 -14.194 1.00 15.29 C ATOM 1256 CE1 HIS A 79 -25.802 -33.118 -14.040 1.00 15.33 C ATOM 1257 NE2 HIS A 79 -24.477 -32.980 -13.937 1.00 15.23 N ATOM 0 H HIS A 79 -24.376 -29.250 -12.797 1.00 15.75 H new ATOM 0 HA HIS A 79 -26.580 -27.828 -13.744 1.00 15.74 H new ATOM 0 HB2 HIS A 79 -26.419 -29.505 -15.616 1.00 15.74 H new ATOM 0 HB3 HIS A 79 -24.819 -29.033 -15.080 1.00 15.74 H new ATOM 0 HD2 HIS A 79 -23.255 -31.169 -14.194 1.00 15.29 H new ATOM 0 HE1 HIS A 79 -26.327 -34.051 -13.897 1.00 15.33 H new ATOM 0 HE2 HIS A 79 -23.794 -33.705 -13.717 1.00 15.23 H new ATOM 1265 N HIS A 80 -28.752 -29.111 -13.664 1.00 16.32 N ATOM 1266 CA HIS A 80 -30.056 -29.744 -13.309 1.00 16.95 C ATOM 1267 C HIS A 80 -30.386 -29.491 -11.835 1.00 17.19 C ATOM 1268 O HIS A 80 -31.404 -28.915 -11.510 1.00 17.07 O ATOM 1269 CB HIS A 80 -29.856 -31.239 -13.566 1.00 17.20 C ATOM 1270 CG HIS A 80 -31.190 -31.893 -13.794 1.00 17.56 C ATOM 1271 ND1 HIS A 80 -32.096 -32.103 -12.766 1.00 17.80 N ATOM 1272 CD2 HIS A 80 -31.786 -32.391 -14.926 1.00 17.88 C ATOM 1273 CE1 HIS A 80 -33.178 -32.703 -13.295 1.00 18.24 C ATOM 1274 NE2 HIS A 80 -33.041 -32.902 -14.609 1.00 18.30 N ATOM 0 H HIS A 80 -28.812 -28.329 -14.316 1.00 16.32 H new ATOM 0 HA HIS A 80 -30.883 -29.338 -13.892 1.00 16.95 H new ATOM 0 HB2 HIS A 80 -29.214 -31.387 -14.434 1.00 17.20 H new ATOM 0 HB3 HIS A 80 -29.354 -31.701 -12.716 1.00 17.20 H new ATOM 0 HD1 HIS A 80 -31.966 -31.849 -11.787 1.00 17.80 H new ATOM 0 HD2 HIS A 80 -31.347 -32.387 -15.913 1.00 17.88 H new ATOM 0 HE1 HIS A 80 -34.051 -32.989 -12.727 1.00 18.24 H new ATOM 1282 N HIS A 81 -29.530 -29.920 -10.945 1.00 17.67 N ATOM 1283 CA HIS A 81 -29.787 -29.710 -9.488 1.00 18.09 C ATOM 1284 C HIS A 81 -31.269 -29.928 -9.167 1.00 18.23 C ATOM 1285 O HIS A 81 -31.918 -30.641 -9.914 1.00 18.29 O ATOM 1286 CB HIS A 81 -29.378 -28.259 -9.217 1.00 18.32 C ATOM 1287 CG HIS A 81 -30.430 -27.324 -9.751 1.00 18.89 C ATOM 1288 ND1 HIS A 81 -31.620 -27.090 -9.080 1.00 19.11 N ATOM 1289 CD2 HIS A 81 -30.484 -26.558 -10.889 1.00 19.41 C ATOM 1290 CE1 HIS A 81 -32.334 -26.216 -9.814 1.00 19.73 C ATOM 1291 NE2 HIS A 81 -31.687 -25.859 -10.927 1.00 19.94 N ATOM 1292 OXT HIS A 81 -31.728 -29.377 -8.180 1.00 18.39 O ATOM 0 H HIS A 81 -28.662 -30.408 -11.164 1.00 17.67 H new ATOM 0 HA HIS A 81 -29.229 -30.411 -8.867 1.00 18.09 H new ATOM 0 HB2 HIS A 81 -29.249 -28.102 -8.146 1.00 18.32 H new ATOM 0 HB3 HIS A 81 -28.418 -28.048 -9.688 1.00 18.32 H new ATOM 0 HD1 HIS A 81 -31.903 -27.504 -8.192 1.00 19.11 H new ATOM 0 HD2 HIS A 81 -29.710 -26.506 -11.641 1.00 19.41 H new ATOM 0 HE1 HIS A 81 -33.311 -25.848 -9.537 1.00 19.73 H new TER 1300 HIS A 81 END