USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) HEADER STRUCTURAL PROTEIN 08-JUN-99 1QQV TITLE SOLUTION STRUCTURE OF THE HEADPIECE DOMAIN OF CHICKEN VILLIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: VILLIN HEADPIECE DOMAIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HP67 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031 KEYWDS F-ACTIN BINDING DOMAIN, SALT-BRIDGE, STRUCTURAL PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR D.VARDAR,D.A.BUCKLEY,B.S.FRANK,C.J.MCKNIGHT REVDAT 3 24-FEB-09 1QQV 1 VERSN REVDAT 2 09-FEB-00 1QQV 1 HEADER REMARK REVDAT 1 29-DEC-99 1QQV 0 JRNL AUTH D.VARDAR,D.A.BUCKLEY,B.S.FRANK,C.J.MCKNIGHT JRNL TITL NMR STRUCTURE OF AN F-ACTIN-BINDING "HEADPIECE" JRNL TITL 2 MOTIF FROM VILLIN. JRNL REF J.MOL.BIOL. V. 294 1299 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 10600386 JRNL DOI 10.1006/JMBI.1999.3321 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THIS MINIMIZED AVERAGE STRUCTURE REMARK 3 BASED ON A TOTAL OF 1219 DISTANCE RESTRAINTS, 1201 ARE NOE- REMARK 3 DERIVED DISTANCE CONSTRAINTS, 18 ARE FROM HYDROGEN BONDS. REMARK 3 THERE ARE 61 DIHEDRAL ANGLE RESTRAINTS. REMARK 4 REMARK 4 1QQV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB009159. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293; 293; 293; 293 REMARK 210 PH : 7.0; 7.0; 7.0; 7.0 REMARK 210 IONIC STRENGTH : LOW; LOW; LOW; LOW REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT; REMARK 210 AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM HP67, 10 MM PHOSPHATE REMARK 210 BUFFER, PH 7.0; 1 MM HP67 U- REMARK 210 15N , 10 MM PHOSPHATE BUFFER, REMARK 210 PH 7.0; 1 MM HP67 U-15N,10% REMARK 210 13C, 10 MM PHOSPHATE BUFFER, REMARK 210 PH 7.0; 1 MM HP67 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, HNHA, E-COSY, HNHB REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 31 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NO NOE VIOLATION > 0.3, NO REMARK 210 ANGLE VIOLATIONS GREATER THAN REMARK 210 5 DEGREES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 10 REMARK 210 REMARK 210 REMARK: THE COORDINATES ARE THE AVERAGE OF THE 10 LOWEST ENERGY REMARK 210 STRUCTURES OF THE 31 CALCULATED. 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 THR A 11 178.05 64.93 REMARK 500 LYS A 12 136.23 74.21 REMARK 500 LEU A 21 -78.69 -87.90 REMARK 500 ASN A 23 -46.43 172.64 REMARK 500 THR A 24 -133.62 -143.97 REMARK 500 ALA A 25 -158.11 -104.78 REMARK 500 SER A 43 171.09 -52.60 REMARK 500 PRO A 62 -80.46 -77.23 REMARK 500 LEU A 63 -36.43 168.51 REMARK 500 LEU A 75 -45.96 -136.65 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 31 0.31 SIDE_CHAIN REMARK 500 ARG A 37 0.32 SIDE_CHAIN REMARK 500 ARG A 55 0.28 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1QQV A 10 76 UNP P02640 VILI_CHICK 760 826 SEQRES 1 A 67 PRO THR LYS LEU GLU THR PHE PRO LEU ASP VAL LEU VAL SEQRES 2 A 67 ASN THR ALA ALA GLU ASP LEU PRO ARG GLY VAL ASP PRO SEQRES 3 A 67 SER ARG LYS GLU ASN HIS LEU SER ASP GLU ASP PHE LYS SEQRES 4 A 67 ALA VAL PHE GLY MET THR ARG SER ALA PHE ALA ASN LEU SEQRES 5 A 67 PRO LEU TRP LYS GLN GLN ASN LEU LYS LYS GLU LYS GLY SEQRES 6 A 67 LEU PHE HELIX 1 1 PRO A 17 VAL A 22 1 6 HELIX 2 2 LYS A 38 HIS A 41 5 4 HELIX 3 3 SER A 43 PHE A 51 1 9 HELIX 4 4 THR A 54 ASN A 60 1 7 HELIX 5 5 LEU A 63 GLY A 74 1 12 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 11 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 0.229 (180deg=0.198) USER MOD Single : A 15 THR OG1 : rot 49:sc= 0.204 USER MOD Single : A 23 ASN : amide:sc= 0.00395 X(o=0.004,f=0) USER MOD Single : A 24 THR OG1 : rot 94:sc= 0.521 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -1.7! (180deg=-2.87!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-11!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -165:sc= -1.41 (180deg=-2.51) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.763 F(o=-1.9,f=-0.76) USER MOD Single : A 67 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -1.71 (180deg=-1.97) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 10 1.536 -5.915 20.952 1.00 7.36 N ATOM 2 CA PRO A 10 1.090 -4.485 21.022 1.00 6.55 C ATOM 3 C PRO A 10 1.796 -3.658 19.940 1.00 5.73 C ATOM 4 O PRO A 10 3.004 -3.726 19.786 1.00 5.80 O ATOM 5 CB PRO A 10 1.448 -3.942 22.406 1.00 6.65 C ATOM 6 CG PRO A 10 2.122 -5.070 23.176 1.00 7.47 C ATOM 7 CD PRO A 10 2.170 -6.287 22.254 1.00 7.85 C ATOM 0 HA PRO A 10 0.015 -4.421 20.856 1.00 6.55 H new ATOM 0 HB2 PRO A 10 2.114 -3.083 22.321 1.00 6.65 H new ATOM 0 HB3 PRO A 10 0.554 -3.601 22.928 1.00 6.65 H new ATOM 0 HG2 PRO A 10 3.127 -4.779 23.481 1.00 7.47 H new ATOM 0 HG3 PRO A 10 1.567 -5.299 24.086 1.00 7.47 H new ATOM 0 HD2 PRO A 10 3.201 -6.604 22.097 1.00 7.85 H new ATOM 0 HD3 PRO A 10 1.643 -7.127 22.706 1.00 7.85 H new ATOM 17 N THR A 11 1.044 -2.877 19.191 1.00 5.27 N ATOM 18 CA THR A 11 1.645 -2.028 18.105 1.00 4.79 C ATOM 19 C THR A 11 2.248 -2.929 17.009 1.00 4.04 C ATOM 20 O THR A 11 2.224 -4.144 17.110 1.00 4.32 O ATOM 21 CB THR A 11 2.742 -1.112 18.691 1.00 5.60 C ATOM 22 OG1 THR A 11 2.435 -0.783 20.043 1.00 6.29 O ATOM 23 CG2 THR A 11 2.833 0.177 17.868 1.00 6.04 C ATOM 0 H THR A 11 0.032 -2.791 19.287 1.00 5.27 H new ATOM 0 HA THR A 11 0.862 -1.408 17.669 1.00 4.79 H new ATOM 0 HB THR A 11 3.695 -1.639 18.656 1.00 5.60 H new ATOM 0 HG1 THR A 11 3.137 -0.204 20.406 1.00 6.29 H new ATOM 0 HG21 THR A 11 3.608 0.821 18.284 1.00 6.04 H new ATOM 0 HG22 THR A 11 3.081 -0.068 16.835 1.00 6.04 H new ATOM 0 HG23 THR A 11 1.875 0.696 17.898 1.00 6.04 H new ATOM 31 N LYS A 12 2.782 -2.332 15.961 1.00 3.42 N ATOM 32 CA LYS A 12 3.392 -3.120 14.838 1.00 2.80 C ATOM 33 C LYS A 12 2.289 -3.764 13.984 1.00 2.29 C ATOM 34 O LYS A 12 1.329 -4.312 14.497 1.00 2.80 O ATOM 35 CB LYS A 12 4.318 -4.210 15.397 1.00 3.26 C ATOM 36 CG LYS A 12 5.425 -4.515 14.383 1.00 3.56 C ATOM 37 CD LYS A 12 5.223 -5.920 13.811 1.00 3.91 C ATOM 38 CE LYS A 12 6.053 -6.077 12.535 1.00 4.67 C ATOM 39 NZ LYS A 12 5.701 -7.362 11.865 1.00 5.08 N ATOM 0 H LYS A 12 2.820 -1.320 15.838 1.00 3.42 H new ATOM 0 HA LYS A 12 3.976 -2.443 14.215 1.00 2.80 H new ATOM 0 HB2 LYS A 12 4.755 -3.881 16.340 1.00 3.26 H new ATOM 0 HB3 LYS A 12 3.746 -5.113 15.609 1.00 3.26 H new ATOM 0 HG2 LYS A 12 5.409 -3.778 13.580 1.00 3.56 H new ATOM 0 HG3 LYS A 12 6.401 -4.443 14.862 1.00 3.56 H new ATOM 0 HD2 LYS A 12 5.520 -6.669 14.545 1.00 3.91 H new ATOM 0 HD3 LYS A 12 4.168 -6.087 13.594 1.00 3.91 H new ATOM 0 HE2 LYS A 12 5.865 -5.241 11.862 1.00 4.67 H new ATOM 0 HE3 LYS A 12 7.116 -6.060 12.776 1.00 4.67 H new ATOM 0 HZ1 LYS A 12 6.377 -7.550 11.098 1.00 5.08 H new ATOM 0 HZ2 LYS A 12 5.739 -8.137 12.558 1.00 5.08 H new ATOM 0 HZ3 LYS A 12 4.741 -7.297 11.471 1.00 5.08 H new ATOM 53 N LEU A 13 2.430 -3.699 12.680 1.00 1.63 N ATOM 54 CA LEU A 13 1.404 -4.299 11.768 1.00 1.22 C ATOM 55 C LEU A 13 1.897 -5.654 11.242 1.00 0.84 C ATOM 56 O LEU A 13 3.076 -5.961 11.290 1.00 0.98 O ATOM 57 CB LEU A 13 1.144 -3.354 10.585 1.00 1.10 C ATOM 58 CG LEU A 13 2.463 -3.020 9.874 1.00 1.23 C ATOM 59 CD1 LEU A 13 2.347 -3.357 8.385 1.00 1.27 C ATOM 60 CD2 LEU A 13 2.765 -1.528 10.035 1.00 1.77 C ATOM 0 H LEU A 13 3.216 -3.254 12.207 1.00 1.63 H new ATOM 0 HA LEU A 13 0.479 -4.446 12.325 1.00 1.22 H new ATOM 0 HB2 LEU A 13 0.452 -3.820 9.883 1.00 1.10 H new ATOM 0 HB3 LEU A 13 0.671 -2.438 10.939 1.00 1.10 H new ATOM 0 HG LEU A 13 3.269 -3.607 10.316 1.00 1.23 H new ATOM 0 HD11 LEU A 13 3.285 -3.119 7.884 1.00 1.27 H new ATOM 0 HD12 LEU A 13 2.133 -4.419 8.268 1.00 1.27 H new ATOM 0 HD13 LEU A 13 1.540 -2.773 7.942 1.00 1.27 H new ATOM 0 HD21 LEU A 13 3.701 -1.290 9.531 1.00 1.77 H new ATOM 0 HD22 LEU A 13 1.957 -0.944 9.595 1.00 1.77 H new ATOM 0 HD23 LEU A 13 2.852 -1.287 11.094 1.00 1.77 H new ATOM 72 N GLU A 14 0.998 -6.463 10.732 1.00 1.00 N ATOM 73 CA GLU A 14 1.391 -7.798 10.191 1.00 0.90 C ATOM 74 C GLU A 14 1.821 -7.643 8.724 1.00 0.71 C ATOM 75 O GLU A 14 2.146 -6.557 8.277 1.00 0.91 O ATOM 76 CB GLU A 14 0.197 -8.757 10.294 1.00 1.49 C ATOM 77 CG GLU A 14 -0.198 -8.934 11.765 1.00 2.32 C ATOM 78 CD GLU A 14 -1.549 -8.254 12.026 1.00 3.01 C ATOM 79 OE1 GLU A 14 -1.558 -7.048 12.218 1.00 3.61 O ATOM 80 OE2 GLU A 14 -2.550 -8.952 12.030 1.00 3.37 O ATOM 0 H GLU A 14 0.002 -6.251 10.668 1.00 1.00 H new ATOM 0 HA GLU A 14 2.224 -8.203 10.766 1.00 0.90 H new ATOM 0 HB2 GLU A 14 -0.647 -8.365 9.726 1.00 1.49 H new ATOM 0 HB3 GLU A 14 0.455 -9.722 9.858 1.00 1.49 H new ATOM 0 HG2 GLU A 14 -0.261 -9.994 12.009 1.00 2.32 H new ATOM 0 HG3 GLU A 14 0.567 -8.503 12.411 1.00 2.32 H new ATOM 87 N THR A 15 1.837 -8.720 7.978 1.00 0.59 N ATOM 88 CA THR A 15 2.258 -8.638 6.544 1.00 0.50 C ATOM 89 C THR A 15 1.300 -9.446 5.655 1.00 0.43 C ATOM 90 O THR A 15 1.425 -10.652 5.521 1.00 0.52 O ATOM 91 CB THR A 15 3.691 -9.175 6.387 1.00 0.58 C ATOM 92 OG1 THR A 15 3.827 -10.413 7.082 1.00 1.30 O ATOM 93 CG2 THR A 15 4.686 -8.155 6.950 1.00 1.01 C ATOM 0 H THR A 15 1.577 -9.652 8.300 1.00 0.59 H new ATOM 0 HA THR A 15 2.228 -7.594 6.232 1.00 0.50 H new ATOM 0 HB THR A 15 3.897 -9.337 5.329 1.00 0.58 H new ATOM 0 HG1 THR A 15 3.089 -11.009 6.836 1.00 1.30 H new ATOM 0 HG21 THR A 15 5.701 -8.537 6.838 1.00 1.01 H new ATOM 0 HG22 THR A 15 4.590 -7.215 6.407 1.00 1.01 H new ATOM 0 HG23 THR A 15 4.476 -7.987 8.006 1.00 1.01 H new ATOM 101 N PHE A 16 0.357 -8.777 5.035 1.00 0.31 N ATOM 102 CA PHE A 16 -0.611 -9.475 4.124 1.00 0.28 C ATOM 103 C PHE A 16 -0.334 -9.046 2.682 1.00 0.26 C ATOM 104 O PHE A 16 0.393 -8.097 2.444 1.00 0.25 O ATOM 105 CB PHE A 16 -2.065 -9.086 4.448 1.00 0.26 C ATOM 106 CG PHE A 16 -2.275 -8.863 5.925 1.00 0.28 C ATOM 107 CD1 PHE A 16 -1.783 -7.708 6.541 1.00 1.20 C ATOM 108 CD2 PHE A 16 -2.990 -9.804 6.671 1.00 1.25 C ATOM 109 CE1 PHE A 16 -2.003 -7.494 7.902 1.00 1.20 C ATOM 110 CE2 PHE A 16 -3.210 -9.594 8.033 1.00 1.27 C ATOM 111 CZ PHE A 16 -2.718 -8.437 8.651 1.00 0.38 C ATOM 0 H PHE A 16 0.214 -7.771 5.120 1.00 0.31 H new ATOM 0 HA PHE A 16 -0.483 -10.549 4.259 1.00 0.28 H new ATOM 0 HB2 PHE A 16 -2.327 -8.179 3.904 1.00 0.26 H new ATOM 0 HB3 PHE A 16 -2.736 -9.872 4.101 1.00 0.26 H new ATOM 0 HD1 PHE A 16 -1.232 -6.981 5.963 1.00 1.20 H new ATOM 0 HD2 PHE A 16 -3.372 -10.694 6.193 1.00 1.25 H new ATOM 0 HE1 PHE A 16 -1.622 -6.602 8.377 1.00 1.20 H new ATOM 0 HE2 PHE A 16 -3.759 -10.323 8.610 1.00 1.27 H new ATOM 0 HZ PHE A 16 -2.890 -8.272 9.704 1.00 0.38 H new ATOM 121 N PRO A 17 -0.952 -9.739 1.755 1.00 0.28 N ATOM 122 CA PRO A 17 -0.821 -9.426 0.327 1.00 0.30 C ATOM 123 C PRO A 17 -1.702 -8.215 -0.012 1.00 0.28 C ATOM 124 O PRO A 17 -2.278 -7.594 0.865 1.00 0.25 O ATOM 125 CB PRO A 17 -1.317 -10.695 -0.368 1.00 0.37 C ATOM 126 CG PRO A 17 -2.220 -11.427 0.651 1.00 0.38 C ATOM 127 CD PRO A 17 -1.830 -10.895 2.042 1.00 0.34 C ATOM 0 HA PRO A 17 0.192 -9.165 0.021 1.00 0.30 H new ATOM 0 HB2 PRO A 17 -1.873 -10.450 -1.273 1.00 0.37 H new ATOM 0 HB3 PRO A 17 -0.480 -11.326 -0.668 1.00 0.37 H new ATOM 0 HG2 PRO A 17 -3.273 -11.236 0.444 1.00 0.38 H new ATOM 0 HG3 PRO A 17 -2.075 -12.506 0.593 1.00 0.38 H new ATOM 0 HD2 PRO A 17 -2.708 -10.596 2.615 1.00 0.34 H new ATOM 0 HD3 PRO A 17 -1.311 -11.654 2.628 1.00 0.34 H new ATOM 135 N LEU A 18 -1.811 -7.869 -1.267 1.00 0.34 N ATOM 136 CA LEU A 18 -2.653 -6.696 -1.643 1.00 0.36 C ATOM 137 C LEU A 18 -4.121 -7.116 -1.831 1.00 0.38 C ATOM 138 O LEU A 18 -4.984 -6.279 -1.997 1.00 0.43 O ATOM 139 CB LEU A 18 -2.131 -6.061 -2.933 1.00 0.43 C ATOM 140 CG LEU A 18 -2.110 -7.098 -4.060 1.00 0.58 C ATOM 141 CD1 LEU A 18 -2.779 -6.513 -5.304 1.00 0.92 C ATOM 142 CD2 LEU A 18 -0.660 -7.466 -4.384 1.00 0.83 C ATOM 0 H LEU A 18 -1.355 -8.346 -2.045 1.00 0.34 H new ATOM 0 HA LEU A 18 -2.598 -5.967 -0.835 1.00 0.36 H new ATOM 0 HB2 LEU A 18 -2.764 -5.219 -3.215 1.00 0.43 H new ATOM 0 HB3 LEU A 18 -1.128 -5.666 -2.773 1.00 0.43 H new ATOM 0 HG LEU A 18 -2.650 -7.991 -3.745 1.00 0.58 H new ATOM 0 HD11 LEU A 18 -2.764 -7.251 -6.106 1.00 0.92 H new ATOM 0 HD12 LEU A 18 -3.811 -6.250 -5.072 1.00 0.92 H new ATOM 0 HD13 LEU A 18 -2.239 -5.621 -5.622 1.00 0.92 H new ATOM 0 HD21 LEU A 18 -0.642 -8.204 -5.186 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -0.120 -6.574 -4.700 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -0.183 -7.883 -3.497 1.00 0.83 H new ATOM 154 N ASP A 19 -4.416 -8.397 -1.806 1.00 0.40 N ATOM 155 CA ASP A 19 -5.828 -8.844 -1.983 1.00 0.45 C ATOM 156 C ASP A 19 -6.594 -8.633 -0.673 1.00 0.40 C ATOM 157 O ASP A 19 -7.668 -8.057 -0.662 1.00 0.41 O ATOM 158 CB ASP A 19 -5.860 -10.327 -2.372 1.00 0.50 C ATOM 159 CG ASP A 19 -5.204 -10.515 -3.744 1.00 0.83 C ATOM 160 OD1 ASP A 19 -5.912 -10.431 -4.735 1.00 1.50 O ATOM 161 OD2 ASP A 19 -4.004 -10.738 -3.781 1.00 1.39 O ATOM 0 H ASP A 19 -3.738 -9.147 -1.671 1.00 0.40 H new ATOM 0 HA ASP A 19 -6.297 -8.261 -2.776 1.00 0.45 H new ATOM 0 HB2 ASP A 19 -5.336 -10.921 -1.623 1.00 0.50 H new ATOM 0 HB3 ASP A 19 -6.890 -10.684 -2.398 1.00 0.50 H new ATOM 166 N VAL A 20 -6.032 -9.075 0.431 1.00 0.37 N ATOM 167 CA VAL A 20 -6.697 -8.886 1.764 1.00 0.34 C ATOM 168 C VAL A 20 -6.916 -7.384 1.990 1.00 0.30 C ATOM 169 O VAL A 20 -7.881 -6.966 2.600 1.00 0.30 O ATOM 170 CB VAL A 20 -5.783 -9.432 2.876 1.00 0.33 C ATOM 171 CG1 VAL A 20 -6.555 -9.526 4.197 1.00 0.36 C ATOM 172 CG2 VAL A 20 -5.270 -10.823 2.495 1.00 0.38 C ATOM 0 H VAL A 20 -5.136 -9.561 0.466 1.00 0.37 H new ATOM 0 HA VAL A 20 -7.649 -9.417 1.783 1.00 0.34 H new ATOM 0 HB VAL A 20 -4.940 -8.752 2.997 1.00 0.33 H new ATOM 0 HG11 VAL A 20 -5.898 -9.913 4.976 1.00 0.36 H new ATOM 0 HG12 VAL A 20 -6.911 -8.536 4.482 1.00 0.36 H new ATOM 0 HG13 VAL A 20 -7.406 -10.196 4.074 1.00 0.36 H new ATOM 0 HG21 VAL A 20 -4.624 -11.202 3.287 1.00 0.38 H new ATOM 0 HG22 VAL A 20 -6.115 -11.498 2.361 1.00 0.38 H new ATOM 0 HG23 VAL A 20 -4.705 -10.760 1.565 1.00 0.38 H new ATOM 182 N LEU A 21 -5.990 -6.587 1.517 1.00 0.28 N ATOM 183 CA LEU A 21 -6.044 -5.123 1.685 1.00 0.28 C ATOM 184 C LEU A 21 -6.832 -4.469 0.550 1.00 0.35 C ATOM 185 O LEU A 21 -7.973 -4.074 0.710 1.00 0.36 O ATOM 186 CB LEU A 21 -4.608 -4.624 1.591 1.00 0.27 C ATOM 187 CG LEU A 21 -3.832 -4.964 2.848 1.00 0.23 C ATOM 188 CD1 LEU A 21 -4.009 -6.431 3.244 1.00 0.20 C ATOM 189 CD2 LEU A 21 -2.352 -4.680 2.610 1.00 0.26 C ATOM 0 H LEU A 21 -5.172 -6.916 1.003 1.00 0.28 H new ATOM 0 HA LEU A 21 -6.523 -4.878 2.633 1.00 0.28 H new ATOM 0 HB2 LEU A 21 -4.120 -5.072 0.725 1.00 0.27 H new ATOM 0 HB3 LEU A 21 -4.603 -3.545 1.437 1.00 0.27 H new ATOM 0 HG LEU A 21 -4.216 -4.349 3.662 1.00 0.23 H new ATOM 0 HD11 LEU A 21 -3.437 -6.635 4.149 1.00 0.20 H new ATOM 0 HD12 LEU A 21 -5.064 -6.634 3.428 1.00 0.20 H new ATOM 0 HD13 LEU A 21 -3.652 -7.071 2.437 1.00 0.20 H new ATOM 0 HD21 LEU A 21 -1.786 -4.922 3.510 1.00 0.26 H new ATOM 0 HD22 LEU A 21 -1.993 -5.290 1.781 1.00 0.26 H new ATOM 0 HD23 LEU A 21 -2.218 -3.625 2.370 1.00 0.26 H new ATOM 201 N VAL A 22 -6.192 -4.325 -0.584 1.00 0.41 N ATOM 202 CA VAL A 22 -6.824 -3.666 -1.758 1.00 0.49 C ATOM 203 C VAL A 22 -8.063 -4.443 -2.220 1.00 0.51 C ATOM 204 O VAL A 22 -7.974 -5.589 -2.624 1.00 1.02 O ATOM 205 CB VAL A 22 -5.808 -3.602 -2.895 1.00 0.62 C ATOM 206 CG1 VAL A 22 -6.419 -2.890 -4.106 1.00 1.32 C ATOM 207 CG2 VAL A 22 -4.561 -2.847 -2.431 1.00 1.21 C ATOM 0 H VAL A 22 -5.237 -4.645 -0.744 1.00 0.41 H new ATOM 0 HA VAL A 22 -7.137 -2.661 -1.474 1.00 0.49 H new ATOM 0 HB VAL A 22 -5.532 -4.617 -3.181 1.00 0.62 H new ATOM 0 HG11 VAL A 22 -5.686 -2.849 -4.912 1.00 1.32 H new ATOM 0 HG12 VAL A 22 -7.300 -3.437 -4.443 1.00 1.32 H new ATOM 0 HG13 VAL A 22 -6.706 -1.877 -3.825 1.00 1.32 H new ATOM 0 HG21 VAL A 22 -3.838 -2.803 -3.245 1.00 1.21 H new ATOM 0 HG22 VAL A 22 -4.837 -1.835 -2.136 1.00 1.21 H new ATOM 0 HG23 VAL A 22 -4.118 -3.364 -1.580 1.00 1.21 H new ATOM 217 N ASN A 23 -9.213 -3.807 -2.173 1.00 0.64 N ATOM 218 CA ASN A 23 -10.487 -4.462 -2.616 1.00 0.69 C ATOM 219 C ASN A 23 -11.666 -3.550 -2.274 1.00 0.77 C ATOM 220 O ASN A 23 -12.540 -3.314 -3.088 1.00 1.01 O ATOM 221 CB ASN A 23 -10.669 -5.815 -1.916 1.00 0.79 C ATOM 222 CG ASN A 23 -10.786 -6.927 -2.962 1.00 1.06 C ATOM 223 OD1 ASN A 23 -11.791 -7.039 -3.637 1.00 1.68 O ATOM 224 ND2 ASN A 23 -9.796 -7.763 -3.126 1.00 1.35 N ATOM 0 H ASN A 23 -9.323 -2.849 -1.842 1.00 0.64 H new ATOM 0 HA ASN A 23 -10.443 -4.629 -3.692 1.00 0.69 H new ATOM 0 HB2 ASN A 23 -9.823 -6.011 -1.257 1.00 0.79 H new ATOM 0 HB3 ASN A 23 -11.562 -5.795 -1.292 1.00 0.79 H new ATOM 0 HD21 ASN A 23 -9.867 -8.508 -3.819 1.00 1.35 H new ATOM 0 HD22 ASN A 23 -8.952 -7.671 -2.561 1.00 1.35 H new ATOM 231 N THR A 24 -11.680 -3.036 -1.074 1.00 0.88 N ATOM 232 CA THR A 24 -12.783 -2.122 -0.638 1.00 1.15 C ATOM 233 C THR A 24 -12.195 -1.030 0.285 1.00 1.24 C ATOM 234 O THR A 24 -11.178 -0.438 -0.035 1.00 1.78 O ATOM 235 CB THR A 24 -13.877 -2.931 0.091 1.00 1.62 C ATOM 236 OG1 THR A 24 -13.967 -4.238 -0.464 1.00 2.17 O ATOM 237 CG2 THR A 24 -15.226 -2.224 -0.065 1.00 1.18 C ATOM 0 H THR A 24 -10.967 -3.211 -0.366 1.00 0.88 H new ATOM 0 HA THR A 24 -13.238 -1.645 -1.506 1.00 1.15 H new ATOM 0 HB THR A 24 -13.619 -3.005 1.147 1.00 1.62 H new ATOM 0 HG1 THR A 24 -13.411 -4.854 0.058 1.00 2.17 H new ATOM 0 HG21 THR A 24 -15.998 -2.796 0.450 1.00 1.18 H new ATOM 0 HG22 THR A 24 -15.165 -1.225 0.367 1.00 1.18 H new ATOM 0 HG23 THR A 24 -15.476 -2.147 -1.123 1.00 1.18 H new ATOM 245 N ALA A 25 -12.819 -0.747 1.412 1.00 1.08 N ATOM 246 CA ALA A 25 -12.294 0.308 2.328 1.00 1.35 C ATOM 247 C ALA A 25 -11.621 -0.329 3.549 1.00 1.14 C ATOM 248 O ALA A 25 -11.208 -1.474 3.511 1.00 0.97 O ATOM 249 CB ALA A 25 -13.456 1.201 2.777 1.00 1.78 C ATOM 0 H ALA A 25 -13.672 -1.207 1.731 1.00 1.08 H new ATOM 0 HA ALA A 25 -11.551 0.906 1.801 1.00 1.35 H new ATOM 0 HB1 ALA A 25 -13.082 1.975 3.447 1.00 1.78 H new ATOM 0 HB2 ALA A 25 -13.915 1.667 1.905 1.00 1.78 H new ATOM 0 HB3 ALA A 25 -14.198 0.597 3.299 1.00 1.78 H new ATOM 255 N ALA A 26 -11.508 0.414 4.630 1.00 1.34 N ATOM 256 CA ALA A 26 -10.872 -0.128 5.872 1.00 1.52 C ATOM 257 C ALA A 26 -11.567 -1.437 6.273 1.00 1.23 C ATOM 258 O ALA A 26 -10.968 -2.305 6.883 1.00 1.48 O ATOM 259 CB ALA A 26 -11.010 0.893 7.005 1.00 1.91 C ATOM 0 H ALA A 26 -11.832 1.378 4.702 1.00 1.34 H new ATOM 0 HA ALA A 26 -9.816 -0.320 5.685 1.00 1.52 H new ATOM 0 HB1 ALA A 26 -10.547 0.498 7.909 1.00 1.91 H new ATOM 0 HB2 ALA A 26 -10.516 1.822 6.720 1.00 1.91 H new ATOM 0 HB3 ALA A 26 -12.066 1.087 7.193 1.00 1.91 H new ATOM 265 N GLU A 27 -12.827 -1.582 5.919 1.00 0.88 N ATOM 266 CA GLU A 27 -13.581 -2.828 6.252 1.00 0.98 C ATOM 267 C GLU A 27 -13.022 -4.021 5.457 1.00 0.81 C ATOM 268 O GLU A 27 -13.273 -5.163 5.797 1.00 0.89 O ATOM 269 CB GLU A 27 -15.066 -2.639 5.909 1.00 1.16 C ATOM 270 CG GLU A 27 -15.225 -2.282 4.422 1.00 1.34 C ATOM 271 CD GLU A 27 -15.748 -3.496 3.645 1.00 2.25 C ATOM 272 OE1 GLU A 27 -16.942 -3.744 3.704 1.00 2.80 O ATOM 273 OE2 GLU A 27 -14.948 -4.154 3.000 1.00 2.96 O ATOM 0 H GLU A 27 -13.365 -0.881 5.409 1.00 0.88 H new ATOM 0 HA GLU A 27 -13.471 -3.029 7.318 1.00 0.98 H new ATOM 0 HB2 GLU A 27 -15.618 -3.552 6.132 1.00 1.16 H new ATOM 0 HB3 GLU A 27 -15.492 -1.849 6.528 1.00 1.16 H new ATOM 0 HG2 GLU A 27 -15.914 -1.445 4.312 1.00 1.34 H new ATOM 0 HG3 GLU A 27 -14.267 -1.962 4.012 1.00 1.34 H new ATOM 280 N ASP A 28 -12.277 -3.768 4.399 1.00 0.62 N ATOM 281 CA ASP A 28 -11.720 -4.891 3.585 1.00 0.56 C ATOM 282 C ASP A 28 -10.359 -5.326 4.136 1.00 0.42 C ATOM 283 O ASP A 28 -10.098 -6.507 4.276 1.00 0.44 O ATOM 284 CB ASP A 28 -11.543 -4.435 2.137 1.00 0.57 C ATOM 285 CG ASP A 28 -11.278 -5.655 1.251 1.00 1.13 C ATOM 286 OD1 ASP A 28 -12.240 -6.265 0.813 1.00 1.79 O ATOM 287 OD2 ASP A 28 -10.118 -5.963 1.033 1.00 1.67 O ATOM 0 H ASP A 28 -12.035 -2.834 4.070 1.00 0.62 H new ATOM 0 HA ASP A 28 -12.413 -5.731 3.632 1.00 0.56 H new ATOM 0 HB2 ASP A 28 -12.436 -3.911 1.797 1.00 0.57 H new ATOM 0 HB3 ASP A 28 -10.714 -3.731 2.064 1.00 0.57 H new ATOM 292 N LEU A 29 -9.493 -4.387 4.443 1.00 0.33 N ATOM 293 CA LEU A 29 -8.149 -4.736 4.979 1.00 0.24 C ATOM 294 C LEU A 29 -8.307 -5.606 6.241 1.00 0.24 C ATOM 295 O LEU A 29 -9.320 -5.538 6.917 1.00 0.28 O ATOM 296 CB LEU A 29 -7.404 -3.451 5.332 1.00 0.23 C ATOM 297 CG LEU A 29 -7.452 -2.467 4.156 1.00 0.28 C ATOM 298 CD1 LEU A 29 -7.764 -1.066 4.677 1.00 0.39 C ATOM 299 CD2 LEU A 29 -6.097 -2.452 3.445 1.00 0.34 C ATOM 0 H LEU A 29 -9.667 -3.387 4.342 1.00 0.33 H new ATOM 0 HA LEU A 29 -7.587 -5.292 4.229 1.00 0.24 H new ATOM 0 HB2 LEU A 29 -7.851 -2.995 6.215 1.00 0.23 H new ATOM 0 HB3 LEU A 29 -6.368 -3.680 5.581 1.00 0.23 H new ATOM 0 HG LEU A 29 -8.227 -2.778 3.456 1.00 0.28 H new ATOM 0 HD11 LEU A 29 -7.798 -0.366 3.842 1.00 0.39 H new ATOM 0 HD12 LEU A 29 -8.729 -1.073 5.184 1.00 0.39 H new ATOM 0 HD13 LEU A 29 -6.988 -0.757 5.377 1.00 0.39 H new ATOM 0 HD21 LEU A 29 -6.132 -1.753 2.610 1.00 0.34 H new ATOM 0 HD22 LEU A 29 -5.322 -2.142 4.146 1.00 0.34 H new ATOM 0 HD23 LEU A 29 -5.871 -3.451 3.072 1.00 0.34 H new ATOM 311 N PRO A 30 -7.302 -6.404 6.514 1.00 0.25 N ATOM 312 CA PRO A 30 -7.293 -7.318 7.679 1.00 0.31 C ATOM 313 C PRO A 30 -7.039 -6.559 8.993 1.00 0.34 C ATOM 314 O PRO A 30 -6.945 -5.343 9.016 1.00 0.34 O ATOM 315 CB PRO A 30 -6.142 -8.278 7.370 1.00 0.35 C ATOM 316 CG PRO A 30 -5.218 -7.544 6.372 1.00 0.32 C ATOM 317 CD PRO A 30 -6.079 -6.467 5.690 1.00 0.26 C ATOM 0 HA PRO A 30 -8.248 -7.824 7.820 1.00 0.31 H new ATOM 0 HB2 PRO A 30 -5.601 -8.541 8.279 1.00 0.35 H new ATOM 0 HB3 PRO A 30 -6.516 -9.208 6.941 1.00 0.35 H new ATOM 0 HG2 PRO A 30 -4.370 -7.093 6.888 1.00 0.32 H new ATOM 0 HG3 PRO A 30 -4.812 -8.239 5.637 1.00 0.32 H new ATOM 0 HD2 PRO A 30 -5.567 -5.505 5.664 1.00 0.26 H new ATOM 0 HD3 PRO A 30 -6.307 -6.734 4.658 1.00 0.26 H new ATOM 325 N ARG A 31 -6.936 -7.282 10.086 1.00 0.41 N ATOM 326 CA ARG A 31 -6.696 -6.639 11.416 1.00 0.48 C ATOM 327 C ARG A 31 -5.306 -6.007 11.452 1.00 0.49 C ATOM 328 O ARG A 31 -4.318 -6.622 11.089 1.00 0.52 O ATOM 329 CB ARG A 31 -6.807 -7.692 12.524 1.00 0.57 C ATOM 330 CG ARG A 31 -8.240 -7.723 13.063 1.00 1.40 C ATOM 331 CD ARG A 31 -8.217 -8.022 14.564 1.00 1.99 C ATOM 332 NE ARG A 31 -8.158 -6.743 15.329 1.00 2.68 N ATOM 333 CZ ARG A 31 -7.016 -6.128 15.491 1.00 3.40 C ATOM 334 NH1 ARG A 31 -6.188 -6.521 16.424 1.00 3.95 N ATOM 335 NH2 ARG A 31 -6.702 -5.120 14.719 1.00 3.95 N ATOM 0 H ARG A 31 -7.009 -8.299 10.111 1.00 0.41 H new ATOM 0 HA ARG A 31 -7.444 -5.862 11.573 1.00 0.48 H new ATOM 0 HB2 ARG A 31 -6.533 -8.673 12.136 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -6.110 -7.462 13.330 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -8.729 -6.766 12.880 1.00 1.40 H new ATOM 0 HG3 ARG A 31 -8.820 -8.483 12.539 1.00 1.40 H new ATOM 0 HD2 ARG A 31 -9.106 -8.585 14.846 1.00 1.99 H new ATOM 0 HD3 ARG A 31 -7.355 -8.643 14.808 1.00 1.99 H new ATOM 0 HE ARG A 31 -9.010 -6.348 15.726 1.00 2.68 H new ATOM 0 HH11 ARG A 31 -6.433 -7.308 17.025 1.00 3.95 H new ATOM 0 HH12 ARG A 31 -5.297 -6.041 16.550 1.00 3.95 H new ATOM 0 HH21 ARG A 31 -7.348 -4.814 13.991 1.00 3.95 H new ATOM 0 HH22 ARG A 31 -5.811 -4.640 14.845 1.00 3.95 H new ATOM 349 N GLY A 32 -5.236 -4.777 11.895 1.00 0.52 N ATOM 350 CA GLY A 32 -3.928 -4.072 11.975 1.00 0.56 C ATOM 351 C GLY A 32 -3.552 -3.517 10.599 1.00 0.52 C ATOM 352 O GLY A 32 -2.436 -3.687 10.142 1.00 0.66 O ATOM 0 H GLY A 32 -6.038 -4.229 12.207 1.00 0.52 H new ATOM 0 HA2 GLY A 32 -3.986 -3.261 12.701 1.00 0.56 H new ATOM 0 HA3 GLY A 32 -3.156 -4.758 12.324 1.00 0.56 H new ATOM 356 N VAL A 33 -4.474 -2.852 9.939 1.00 0.44 N ATOM 357 CA VAL A 33 -4.180 -2.277 8.592 1.00 0.39 C ATOM 358 C VAL A 33 -4.841 -0.901 8.461 1.00 0.36 C ATOM 359 O VAL A 33 -5.978 -0.705 8.857 1.00 0.42 O ATOM 360 CB VAL A 33 -4.714 -3.206 7.496 1.00 0.38 C ATOM 361 CG1 VAL A 33 -4.386 -2.615 6.122 1.00 0.42 C ATOM 362 CG2 VAL A 33 -4.058 -4.582 7.619 1.00 0.52 C ATOM 0 H VAL A 33 -5.420 -2.684 10.280 1.00 0.44 H new ATOM 0 HA VAL A 33 -3.101 -2.174 8.480 1.00 0.39 H new ATOM 0 HB VAL A 33 -5.794 -3.307 7.607 1.00 0.38 H new ATOM 0 HG11 VAL A 33 -4.765 -3.275 5.342 1.00 0.42 H new ATOM 0 HG12 VAL A 33 -4.853 -1.635 6.027 1.00 0.42 H new ATOM 0 HG13 VAL A 33 -3.306 -2.514 6.018 1.00 0.42 H new ATOM 0 HG21 VAL A 33 -4.441 -5.239 6.838 1.00 0.52 H new ATOM 0 HG22 VAL A 33 -2.978 -4.481 7.511 1.00 0.52 H new ATOM 0 HG23 VAL A 33 -4.287 -5.008 8.596 1.00 0.52 H new ATOM 372 N ASP A 34 -4.132 0.046 7.899 1.00 0.35 N ATOM 373 CA ASP A 34 -4.694 1.419 7.722 1.00 0.35 C ATOM 374 C ASP A 34 -5.028 1.647 6.240 1.00 0.30 C ATOM 375 O ASP A 34 -4.326 1.164 5.369 1.00 0.33 O ATOM 376 CB ASP A 34 -3.661 2.458 8.177 1.00 0.45 C ATOM 377 CG ASP A 34 -3.234 2.169 9.621 1.00 0.93 C ATOM 378 OD1 ASP A 34 -3.915 2.629 10.524 1.00 1.74 O ATOM 379 OD2 ASP A 34 -2.233 1.493 9.799 1.00 1.39 O ATOM 0 H ASP A 34 -3.180 -0.075 7.553 1.00 0.35 H new ATOM 0 HA ASP A 34 -5.600 1.521 8.320 1.00 0.35 H new ATOM 0 HB2 ASP A 34 -2.792 2.432 7.519 1.00 0.45 H new ATOM 0 HB3 ASP A 34 -4.084 3.460 8.107 1.00 0.45 H new ATOM 384 N PRO A 35 -6.090 2.385 5.999 1.00 0.32 N ATOM 385 CA PRO A 35 -6.548 2.706 4.631 1.00 0.38 C ATOM 386 C PRO A 35 -5.662 3.792 3.996 1.00 0.42 C ATOM 387 O PRO A 35 -5.553 3.876 2.786 1.00 0.51 O ATOM 388 CB PRO A 35 -7.980 3.209 4.838 1.00 0.46 C ATOM 389 CG PRO A 35 -8.070 3.677 6.309 1.00 0.43 C ATOM 390 CD PRO A 35 -6.931 2.970 7.067 1.00 0.37 C ATOM 0 HA PRO A 35 -6.497 1.853 3.954 1.00 0.38 H new ATOM 0 HB2 PRO A 35 -8.206 4.028 4.155 1.00 0.46 H new ATOM 0 HB3 PRO A 35 -8.702 2.418 4.637 1.00 0.46 H new ATOM 0 HG2 PRO A 35 -7.967 4.760 6.378 1.00 0.43 H new ATOM 0 HG3 PRO A 35 -9.039 3.421 6.738 1.00 0.43 H new ATOM 0 HD2 PRO A 35 -6.365 3.672 7.680 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -7.316 2.201 7.737 1.00 0.37 H new ATOM 398 N SER A 36 -5.025 4.615 4.801 1.00 0.39 N ATOM 399 CA SER A 36 -4.141 5.685 4.246 1.00 0.48 C ATOM 400 C SER A 36 -2.788 5.073 3.862 1.00 0.56 C ATOM 401 O SER A 36 -2.346 5.193 2.733 1.00 0.69 O ATOM 402 CB SER A 36 -3.933 6.778 5.300 1.00 0.51 C ATOM 403 OG SER A 36 -3.453 7.958 4.666 1.00 0.83 O ATOM 0 H SER A 36 -5.082 4.588 5.819 1.00 0.39 H new ATOM 0 HA SER A 36 -4.606 6.123 3.363 1.00 0.48 H new ATOM 0 HB2 SER A 36 -4.871 6.984 5.816 1.00 0.51 H new ATOM 0 HB3 SER A 36 -3.221 6.441 6.054 1.00 0.51 H new ATOM 0 HG SER A 36 -3.321 8.659 5.337 1.00 0.83 H new ATOM 409 N ARG A 37 -2.137 4.410 4.791 1.00 0.54 N ATOM 410 CA ARG A 37 -0.817 3.777 4.489 1.00 0.65 C ATOM 411 C ARG A 37 -1.026 2.280 4.220 1.00 0.72 C ATOM 412 O ARG A 37 -0.628 1.432 5.000 1.00 1.34 O ATOM 413 CB ARG A 37 0.131 3.971 5.680 1.00 0.73 C ATOM 414 CG ARG A 37 0.718 5.384 5.642 1.00 0.76 C ATOM 415 CD ARG A 37 1.969 5.442 6.520 1.00 1.24 C ATOM 416 NE ARG A 37 2.441 6.853 6.619 1.00 1.57 N ATOM 417 CZ ARG A 37 2.077 7.596 7.631 1.00 2.17 C ATOM 418 NH1 ARG A 37 0.984 8.311 7.556 1.00 2.85 N ATOM 419 NH2 ARG A 37 2.806 7.624 8.717 1.00 2.74 N ATOM 0 H ARG A 37 -2.467 4.281 5.748 1.00 0.54 H new ATOM 0 HA ARG A 37 -0.376 4.244 3.608 1.00 0.65 H new ATOM 0 HB2 ARG A 37 -0.406 3.814 6.615 1.00 0.73 H new ATOM 0 HB3 ARG A 37 0.932 3.232 5.645 1.00 0.73 H new ATOM 0 HG2 ARG A 37 0.968 5.658 4.617 1.00 0.76 H new ATOM 0 HG3 ARG A 37 -0.020 6.105 5.994 1.00 0.76 H new ATOM 0 HD2 ARG A 37 1.748 5.051 7.513 1.00 1.24 H new ATOM 0 HD3 ARG A 37 2.753 4.814 6.097 1.00 1.24 H new ATOM 0 HE ARG A 37 3.049 7.239 5.896 1.00 1.57 H new ATOM 0 HH11 ARG A 37 0.417 8.288 6.709 1.00 2.85 H new ATOM 0 HH12 ARG A 37 0.699 8.891 8.345 1.00 2.85 H new ATOM 0 HH21 ARG A 37 3.658 7.066 8.774 1.00 2.74 H new ATOM 0 HH22 ARG A 37 2.522 8.204 9.507 1.00 2.74 H new ATOM 433 N LYS A 38 -1.654 1.955 3.114 1.00 0.42 N ATOM 434 CA LYS A 38 -1.906 0.520 2.770 1.00 0.45 C ATOM 435 C LYS A 38 -0.616 -0.122 2.241 1.00 0.42 C ATOM 436 O LYS A 38 -0.381 -1.301 2.436 1.00 0.44 O ATOM 437 CB LYS A 38 -2.993 0.429 1.692 1.00 0.58 C ATOM 438 CG LYS A 38 -4.235 1.212 2.134 1.00 0.97 C ATOM 439 CD LYS A 38 -5.477 0.326 2.010 1.00 0.72 C ATOM 440 CE LYS A 38 -6.587 1.091 1.283 1.00 0.75 C ATOM 441 NZ LYS A 38 -7.918 0.624 1.768 1.00 1.01 N ATOM 0 H LYS A 38 -2.004 2.627 2.431 1.00 0.42 H new ATOM 0 HA LYS A 38 -2.235 -0.007 3.666 1.00 0.45 H new ATOM 0 HB2 LYS A 38 -2.617 0.828 0.750 1.00 0.58 H new ATOM 0 HB3 LYS A 38 -3.254 -0.614 1.514 1.00 0.58 H new ATOM 0 HG2 LYS A 38 -4.117 1.547 3.165 1.00 0.97 H new ATOM 0 HG3 LYS A 38 -4.351 2.105 1.520 1.00 0.97 H new ATOM 0 HD2 LYS A 38 -5.232 -0.585 1.464 1.00 0.72 H new ATOM 0 HD3 LYS A 38 -5.819 0.023 2.999 1.00 0.72 H new ATOM 0 HE2 LYS A 38 -6.480 2.161 1.459 1.00 0.75 H new ATOM 0 HE3 LYS A 38 -6.506 0.935 0.207 1.00 0.75 H new ATOM 0 HZ1 LYS A 38 -8.653 0.902 1.086 1.00 1.01 H new ATOM 0 HZ2 LYS A 38 -7.909 -0.411 1.864 1.00 1.01 H new ATOM 0 HZ3 LYS A 38 -8.122 1.056 2.692 1.00 1.01 H new ATOM 455 N GLU A 39 0.216 0.647 1.570 1.00 0.46 N ATOM 456 CA GLU A 39 1.496 0.100 1.013 1.00 0.48 C ATOM 457 C GLU A 39 2.386 -0.462 2.135 1.00 0.45 C ATOM 458 O GLU A 39 3.200 -1.339 1.902 1.00 0.56 O ATOM 459 CB GLU A 39 2.249 1.219 0.279 1.00 0.57 C ATOM 460 CG GLU A 39 2.637 2.332 1.263 1.00 0.61 C ATOM 461 CD GLU A 39 4.161 2.371 1.434 1.00 0.95 C ATOM 462 OE1 GLU A 39 4.688 1.508 2.119 1.00 1.76 O ATOM 463 OE2 GLU A 39 4.775 3.266 0.880 1.00 1.27 O ATOM 0 H GLU A 39 0.059 1.638 1.384 1.00 0.46 H new ATOM 0 HA GLU A 39 1.257 -0.708 0.322 1.00 0.48 H new ATOM 0 HB2 GLU A 39 3.143 0.815 -0.195 1.00 0.57 H new ATOM 0 HB3 GLU A 39 1.624 1.627 -0.515 1.00 0.57 H new ATOM 0 HG2 GLU A 39 2.279 3.294 0.897 1.00 0.61 H new ATOM 0 HG3 GLU A 39 2.159 2.160 2.227 1.00 0.61 H new ATOM 470 N ASN A 40 2.245 0.040 3.343 1.00 0.39 N ATOM 471 CA ASN A 40 3.085 -0.452 4.478 1.00 0.40 C ATOM 472 C ASN A 40 2.658 -1.869 4.896 1.00 0.34 C ATOM 473 O ASN A 40 3.414 -2.580 5.533 1.00 0.40 O ATOM 474 CB ASN A 40 2.920 0.499 5.667 1.00 0.47 C ATOM 475 CG ASN A 40 4.219 1.278 5.886 1.00 0.57 C ATOM 476 OD1 ASN A 40 5.053 0.883 6.677 1.00 0.60 O ATOM 477 ND2 ASN A 40 4.429 2.378 5.212 1.00 0.68 N ATOM 0 H ASN A 40 1.580 0.773 3.589 1.00 0.39 H new ATOM 0 HA ASN A 40 4.127 -0.483 4.160 1.00 0.40 H new ATOM 0 HB2 ASN A 40 2.097 1.189 5.482 1.00 0.47 H new ATOM 0 HB3 ASN A 40 2.667 -0.065 6.565 1.00 0.47 H new ATOM 0 HD21 ASN A 40 5.292 2.904 5.350 1.00 0.68 H new ATOM 0 HD22 ASN A 40 3.730 2.711 4.548 1.00 0.68 H new ATOM 484 N HIS A 41 1.457 -2.279 4.554 1.00 0.27 N ATOM 485 CA HIS A 41 0.982 -3.645 4.944 1.00 0.22 C ATOM 486 C HIS A 41 1.295 -4.672 3.839 1.00 0.21 C ATOM 487 O HIS A 41 1.006 -5.847 3.987 1.00 0.24 O ATOM 488 CB HIS A 41 -0.526 -3.592 5.210 1.00 0.22 C ATOM 489 CG HIS A 41 -0.792 -2.565 6.278 1.00 0.34 C ATOM 490 ND1 HIS A 41 -0.634 -2.842 7.626 1.00 0.88 N ATOM 491 CD2 HIS A 41 -1.168 -1.248 6.207 1.00 0.66 C ATOM 492 CE1 HIS A 41 -0.907 -1.714 8.306 1.00 0.86 C ATOM 493 NE2 HIS A 41 -1.240 -0.712 7.489 1.00 0.62 N ATOM 0 H HIS A 41 0.786 -1.725 4.021 1.00 0.27 H new ATOM 0 HA HIS A 41 1.504 -3.960 5.848 1.00 0.22 H new ATOM 0 HB2 HIS A 41 -1.062 -3.335 4.296 1.00 0.22 H new ATOM 0 HB3 HIS A 41 -0.888 -4.570 5.527 1.00 0.22 H new ATOM 0 HD1 HIS A 41 -0.360 -3.738 8.029 1.00 0.88 H new ATOM 0 HD2 HIS A 41 -1.377 -0.709 5.295 1.00 0.66 H new ATOM 0 HE1 HIS A 41 -0.862 -1.629 9.382 1.00 0.86 H new ATOM 501 N LEU A 42 1.906 -4.250 2.751 1.00 0.20 N ATOM 502 CA LEU A 42 2.265 -5.172 1.666 1.00 0.20 C ATOM 503 C LEU A 42 3.663 -5.715 1.964 1.00 0.21 C ATOM 504 O LEU A 42 4.591 -4.953 2.185 1.00 0.21 O ATOM 505 CB LEU A 42 2.284 -4.371 0.360 1.00 0.20 C ATOM 506 CG LEU A 42 0.901 -4.414 -0.295 1.00 0.23 C ATOM 507 CD1 LEU A 42 0.078 -3.224 0.190 1.00 0.83 C ATOM 508 CD2 LEU A 42 1.048 -4.335 -1.817 1.00 0.72 C ATOM 0 H LEU A 42 2.169 -3.279 2.584 1.00 0.20 H new ATOM 0 HA LEU A 42 1.558 -5.997 1.582 1.00 0.20 H new ATOM 0 HB2 LEU A 42 2.570 -3.338 0.560 1.00 0.20 H new ATOM 0 HB3 LEU A 42 3.031 -4.782 -0.319 1.00 0.20 H new ATOM 0 HG LEU A 42 0.403 -5.345 -0.026 1.00 0.23 H new ATOM 0 HD11 LEU A 42 -0.908 -3.250 -0.274 1.00 0.83 H new ATOM 0 HD12 LEU A 42 -0.029 -3.273 1.274 1.00 0.83 H new ATOM 0 HD13 LEU A 42 0.583 -2.297 -0.083 1.00 0.83 H new ATOM 0 HD21 LEU A 42 0.062 -4.366 -2.280 1.00 0.72 H new ATOM 0 HD22 LEU A 42 1.546 -3.404 -2.087 1.00 0.72 H new ATOM 0 HD23 LEU A 42 1.641 -5.179 -2.170 1.00 0.72 H new ATOM 520 N SER A 43 3.821 -7.018 1.982 1.00 0.24 N ATOM 521 CA SER A 43 5.162 -7.618 2.267 1.00 0.27 C ATOM 522 C SER A 43 6.222 -7.011 1.330 1.00 0.26 C ATOM 523 O SER A 43 5.903 -6.288 0.402 1.00 0.27 O ATOM 524 CB SER A 43 5.100 -9.133 2.057 1.00 0.31 C ATOM 525 OG SER A 43 6.095 -9.761 2.855 1.00 1.00 O ATOM 0 H SER A 43 3.076 -7.693 1.811 1.00 0.24 H new ATOM 0 HA SER A 43 5.436 -7.403 3.300 1.00 0.27 H new ATOM 0 HB2 SER A 43 4.112 -9.508 2.325 1.00 0.31 H new ATOM 0 HB3 SER A 43 5.257 -9.372 1.005 1.00 0.31 H new ATOM 0 HG SER A 43 6.056 -10.731 2.723 1.00 1.00 H new ATOM 531 N ASP A 44 7.481 -7.299 1.571 1.00 0.28 N ATOM 532 CA ASP A 44 8.572 -6.743 0.705 1.00 0.29 C ATOM 533 C ASP A 44 8.219 -6.927 -0.777 1.00 0.27 C ATOM 534 O ASP A 44 8.435 -6.041 -1.584 1.00 0.29 O ATOM 535 CB ASP A 44 9.887 -7.469 1.005 1.00 0.34 C ATOM 536 CG ASP A 44 11.015 -6.445 1.176 1.00 0.62 C ATOM 537 OD1 ASP A 44 11.445 -5.890 0.176 1.00 1.10 O ATOM 538 OD2 ASP A 44 11.432 -6.235 2.304 1.00 1.41 O ATOM 0 H ASP A 44 7.801 -7.897 2.333 1.00 0.28 H new ATOM 0 HA ASP A 44 8.681 -5.679 0.917 1.00 0.29 H new ATOM 0 HB2 ASP A 44 9.785 -8.067 1.911 1.00 0.34 H new ATOM 0 HB3 ASP A 44 10.127 -8.157 0.194 1.00 0.34 H new ATOM 543 N GLU A 45 7.670 -8.066 -1.135 1.00 0.29 N ATOM 544 CA GLU A 45 7.292 -8.311 -2.560 1.00 0.28 C ATOM 545 C GLU A 45 5.985 -7.585 -2.886 1.00 0.25 C ATOM 546 O GLU A 45 5.802 -7.091 -3.980 1.00 0.25 O ATOM 547 CB GLU A 45 7.118 -9.814 -2.798 1.00 0.32 C ATOM 548 CG GLU A 45 8.493 -10.490 -2.839 1.00 1.15 C ATOM 549 CD GLU A 45 8.441 -11.814 -2.070 1.00 1.65 C ATOM 550 OE1 GLU A 45 8.655 -11.788 -0.868 1.00 2.28 O ATOM 551 OE2 GLU A 45 8.190 -12.832 -2.696 1.00 2.21 O ATOM 0 H GLU A 45 7.468 -8.836 -0.498 1.00 0.29 H new ATOM 0 HA GLU A 45 8.083 -7.932 -3.207 1.00 0.28 H new ATOM 0 HB2 GLU A 45 6.511 -10.250 -2.005 1.00 0.32 H new ATOM 0 HB3 GLU A 45 6.589 -9.985 -3.736 1.00 0.32 H new ATOM 0 HG2 GLU A 45 8.790 -10.670 -3.872 1.00 1.15 H new ATOM 0 HG3 GLU A 45 9.245 -9.833 -2.401 1.00 1.15 H new ATOM 558 N ASP A 46 5.088 -7.513 -1.938 1.00 0.24 N ATOM 559 CA ASP A 46 3.788 -6.821 -2.155 1.00 0.22 C ATOM 560 C ASP A 46 4.039 -5.349 -2.477 1.00 0.20 C ATOM 561 O ASP A 46 3.569 -4.837 -3.477 1.00 0.22 O ATOM 562 CB ASP A 46 2.955 -6.935 -0.875 1.00 0.25 C ATOM 563 CG ASP A 46 2.293 -8.315 -0.810 1.00 0.36 C ATOM 564 OD1 ASP A 46 1.458 -8.592 -1.659 1.00 1.26 O ATOM 565 OD2 ASP A 46 2.630 -9.072 0.086 1.00 1.01 O ATOM 0 H ASP A 46 5.206 -7.912 -1.007 1.00 0.24 H new ATOM 0 HA ASP A 46 3.255 -7.279 -2.988 1.00 0.22 H new ATOM 0 HB2 ASP A 46 3.590 -6.784 -0.002 1.00 0.25 H new ATOM 0 HB3 ASP A 46 2.194 -6.155 -0.854 1.00 0.25 H new ATOM 570 N PHE A 47 4.784 -4.673 -1.638 1.00 0.19 N ATOM 571 CA PHE A 47 5.087 -3.233 -1.882 1.00 0.19 C ATOM 572 C PHE A 47 5.912 -3.090 -3.170 1.00 0.19 C ATOM 573 O PHE A 47 5.861 -2.072 -3.833 1.00 0.20 O ATOM 574 CB PHE A 47 5.890 -2.683 -0.699 1.00 0.21 C ATOM 575 CG PHE A 47 6.088 -1.192 -0.854 1.00 0.22 C ATOM 576 CD1 PHE A 47 5.015 -0.368 -1.218 1.00 1.28 C ATOM 577 CD2 PHE A 47 7.351 -0.635 -0.631 1.00 1.19 C ATOM 578 CE1 PHE A 47 5.209 1.011 -1.359 1.00 1.27 C ATOM 579 CE2 PHE A 47 7.543 0.742 -0.772 1.00 1.21 C ATOM 580 CZ PHE A 47 6.474 1.564 -1.136 1.00 0.29 C ATOM 0 H PHE A 47 5.197 -5.061 -0.790 1.00 0.19 H new ATOM 0 HA PHE A 47 4.156 -2.676 -1.988 1.00 0.19 H new ATOM 0 HB2 PHE A 47 5.368 -2.893 0.234 1.00 0.21 H new ATOM 0 HB3 PHE A 47 6.857 -3.182 -0.642 1.00 0.21 H new ATOM 0 HD1 PHE A 47 4.039 -0.797 -1.390 1.00 1.28 H new ATOM 0 HD2 PHE A 47 8.179 -1.269 -0.350 1.00 1.19 H new ATOM 0 HE1 PHE A 47 4.383 1.647 -1.640 1.00 1.27 H new ATOM 0 HE2 PHE A 47 8.519 1.171 -0.599 1.00 1.21 H new ATOM 0 HZ PHE A 47 6.625 2.628 -1.245 1.00 0.29 H new ATOM 590 N LYS A 48 6.673 -4.104 -3.526 1.00 0.20 N ATOM 591 CA LYS A 48 7.505 -4.026 -4.765 1.00 0.23 C ATOM 592 C LYS A 48 6.689 -4.467 -5.994 1.00 0.24 C ATOM 593 O LYS A 48 7.058 -4.172 -7.115 1.00 0.26 O ATOM 594 CB LYS A 48 8.724 -4.943 -4.614 1.00 0.27 C ATOM 595 CG LYS A 48 9.858 -4.181 -3.921 1.00 0.37 C ATOM 596 CD LYS A 48 10.671 -3.408 -4.963 1.00 0.64 C ATOM 597 CE LYS A 48 11.813 -4.285 -5.481 1.00 0.98 C ATOM 598 NZ LYS A 48 12.759 -3.454 -6.279 1.00 1.66 N ATOM 0 H LYS A 48 6.750 -4.980 -3.009 1.00 0.20 H new ATOM 0 HA LYS A 48 7.826 -2.994 -4.908 1.00 0.23 H new ATOM 0 HB2 LYS A 48 8.458 -5.826 -4.033 1.00 0.27 H new ATOM 0 HB3 LYS A 48 9.052 -5.292 -5.593 1.00 0.27 H new ATOM 0 HG2 LYS A 48 9.448 -3.493 -3.182 1.00 0.37 H new ATOM 0 HG3 LYS A 48 10.503 -4.877 -3.385 1.00 0.37 H new ATOM 0 HD2 LYS A 48 10.028 -3.106 -5.790 1.00 0.64 H new ATOM 0 HD3 LYS A 48 11.072 -2.495 -4.522 1.00 0.64 H new ATOM 0 HE2 LYS A 48 12.337 -4.749 -4.645 1.00 0.98 H new ATOM 0 HE3 LYS A 48 11.415 -5.093 -6.096 1.00 0.98 H new ATOM 0 HZ1 LYS A 48 13.534 -4.051 -6.630 1.00 1.66 H new ATOM 0 HZ2 LYS A 48 12.255 -3.031 -7.085 1.00 1.66 H new ATOM 0 HZ3 LYS A 48 13.148 -2.699 -5.679 1.00 1.66 H new ATOM 612 N ALA A 49 5.592 -5.171 -5.800 1.00 0.24 N ATOM 613 CA ALA A 49 4.771 -5.626 -6.957 1.00 0.26 C ATOM 614 C ALA A 49 3.697 -4.584 -7.261 1.00 0.27 C ATOM 615 O ALA A 49 3.502 -4.190 -8.397 1.00 0.33 O ATOM 616 CB ALA A 49 4.107 -6.964 -6.621 1.00 0.28 C ATOM 0 H ALA A 49 5.236 -5.447 -4.885 1.00 0.24 H new ATOM 0 HA ALA A 49 5.412 -5.751 -7.829 1.00 0.26 H new ATOM 0 HB1 ALA A 49 3.507 -7.295 -7.468 1.00 0.28 H new ATOM 0 HB2 ALA A 49 4.875 -7.708 -6.407 1.00 0.28 H new ATOM 0 HB3 ALA A 49 3.466 -6.843 -5.748 1.00 0.28 H new ATOM 622 N VAL A 50 2.998 -4.144 -6.244 1.00 0.25 N ATOM 623 CA VAL A 50 1.920 -3.131 -6.432 1.00 0.27 C ATOM 624 C VAL A 50 2.531 -1.783 -6.845 1.00 0.25 C ATOM 625 O VAL A 50 2.062 -1.142 -7.769 1.00 0.29 O ATOM 626 CB VAL A 50 1.151 -2.978 -5.111 1.00 0.28 C ATOM 627 CG1 VAL A 50 0.366 -1.668 -5.110 1.00 0.29 C ATOM 628 CG2 VAL A 50 0.181 -4.151 -4.950 1.00 0.35 C ATOM 0 H VAL A 50 3.132 -4.449 -5.280 1.00 0.25 H new ATOM 0 HA VAL A 50 1.240 -3.457 -7.219 1.00 0.27 H new ATOM 0 HB VAL A 50 1.861 -2.969 -4.284 1.00 0.28 H new ATOM 0 HG11 VAL A 50 -0.176 -1.569 -4.169 1.00 0.29 H new ATOM 0 HG12 VAL A 50 1.055 -0.831 -5.222 1.00 0.29 H new ATOM 0 HG13 VAL A 50 -0.343 -1.668 -5.938 1.00 0.29 H new ATOM 0 HG21 VAL A 50 -0.366 -4.045 -4.013 1.00 0.35 H new ATOM 0 HG22 VAL A 50 -0.523 -4.158 -5.782 1.00 0.35 H new ATOM 0 HG23 VAL A 50 0.740 -5.087 -4.940 1.00 0.35 H new ATOM 638 N PHE A 51 3.561 -1.345 -6.159 1.00 0.21 N ATOM 639 CA PHE A 51 4.195 -0.040 -6.486 1.00 0.22 C ATOM 640 C PHE A 51 5.323 -0.220 -7.509 1.00 0.23 C ATOM 641 O PHE A 51 5.709 0.723 -8.176 1.00 0.24 O ATOM 642 CB PHE A 51 4.764 0.547 -5.199 1.00 0.20 C ATOM 643 CG PHE A 51 3.651 1.178 -4.402 1.00 0.22 C ATOM 644 CD1 PHE A 51 2.725 0.367 -3.735 1.00 1.12 C ATOM 645 CD2 PHE A 51 3.539 2.569 -4.335 1.00 1.16 C ATOM 646 CE1 PHE A 51 1.688 0.948 -3.002 1.00 1.11 C ATOM 647 CE2 PHE A 51 2.501 3.152 -3.601 1.00 1.17 C ATOM 648 CZ PHE A 51 1.575 2.342 -2.935 1.00 0.30 C ATOM 0 H PHE A 51 3.989 -1.845 -5.380 1.00 0.21 H new ATOM 0 HA PHE A 51 3.449 0.626 -6.920 1.00 0.22 H new ATOM 0 HB2 PHE A 51 5.248 -0.234 -4.613 1.00 0.20 H new ATOM 0 HB3 PHE A 51 5.527 1.290 -5.431 1.00 0.20 H new ATOM 0 HD1 PHE A 51 2.813 -0.708 -3.787 1.00 1.12 H new ATOM 0 HD2 PHE A 51 4.254 3.194 -4.850 1.00 1.16 H new ATOM 0 HE1 PHE A 51 0.974 0.323 -2.487 1.00 1.11 H new ATOM 0 HE2 PHE A 51 2.414 4.227 -3.548 1.00 1.17 H new ATOM 0 HZ PHE A 51 0.773 2.792 -2.369 1.00 0.30 H new ATOM 658 N GLY A 52 5.870 -1.410 -7.626 1.00 0.24 N ATOM 659 CA GLY A 52 6.988 -1.630 -8.593 1.00 0.27 C ATOM 660 C GLY A 52 8.270 -0.984 -8.044 1.00 0.26 C ATOM 661 O GLY A 52 9.225 -0.778 -8.770 1.00 0.30 O ATOM 0 H GLY A 52 5.589 -2.234 -7.094 1.00 0.24 H new ATOM 0 HA2 GLY A 52 7.144 -2.697 -8.750 1.00 0.27 H new ATOM 0 HA3 GLY A 52 6.736 -1.199 -9.562 1.00 0.27 H new ATOM 665 N MET A 53 8.290 -0.660 -6.767 1.00 0.23 N ATOM 666 CA MET A 53 9.492 -0.025 -6.157 1.00 0.25 C ATOM 667 C MET A 53 9.567 -0.368 -4.662 1.00 0.21 C ATOM 668 O MET A 53 8.599 -0.807 -4.063 1.00 0.19 O ATOM 669 CB MET A 53 9.415 1.494 -6.335 1.00 0.30 C ATOM 670 CG MET A 53 8.158 2.042 -5.649 1.00 0.28 C ATOM 671 SD MET A 53 7.838 3.725 -6.235 1.00 0.76 S ATOM 672 CE MET A 53 9.507 4.375 -5.977 1.00 0.51 C ATOM 0 H MET A 53 7.514 -0.813 -6.123 1.00 0.23 H new ATOM 0 HA MET A 53 10.386 -0.404 -6.652 1.00 0.25 H new ATOM 0 HB2 MET A 53 10.303 1.963 -5.912 1.00 0.30 H new ATOM 0 HB3 MET A 53 9.398 1.743 -7.396 1.00 0.30 H new ATOM 0 HG2 MET A 53 7.303 1.401 -5.866 1.00 0.28 H new ATOM 0 HG3 MET A 53 8.291 2.041 -4.567 1.00 0.28 H new ATOM 0 HE1 MET A 53 9.484 5.464 -6.020 1.00 0.51 H new ATOM 0 HE2 MET A 53 9.874 4.058 -5.001 1.00 0.51 H new ATOM 0 HE3 MET A 53 10.170 3.995 -6.755 1.00 0.51 H new ATOM 682 N THR A 54 10.714 -0.167 -4.059 1.00 0.23 N ATOM 683 CA THR A 54 10.883 -0.469 -2.612 1.00 0.23 C ATOM 684 C THR A 54 10.629 0.799 -1.790 1.00 0.24 C ATOM 685 O THR A 54 10.285 1.844 -2.317 1.00 0.32 O ATOM 686 CB THR A 54 12.318 -0.965 -2.349 1.00 0.26 C ATOM 687 OG1 THR A 54 13.165 -0.641 -3.447 1.00 0.29 O ATOM 688 CG2 THR A 54 12.309 -2.480 -2.142 1.00 0.25 C ATOM 0 H THR A 54 11.548 0.198 -4.518 1.00 0.23 H new ATOM 0 HA THR A 54 10.172 -1.242 -2.322 1.00 0.23 H new ATOM 0 HB THR A 54 12.698 -0.475 -1.453 1.00 0.26 H new ATOM 0 HG1 THR A 54 14.073 -0.961 -3.265 1.00 0.29 H new ATOM 0 HG21 THR A 54 13.325 -2.828 -1.956 1.00 0.25 H new ATOM 0 HG22 THR A 54 11.679 -2.727 -1.287 1.00 0.25 H new ATOM 0 HG23 THR A 54 11.916 -2.967 -3.035 1.00 0.25 H new ATOM 696 N ARG A 55 10.803 0.703 -0.499 1.00 0.31 N ATOM 697 CA ARG A 55 10.589 1.868 0.400 1.00 0.33 C ATOM 698 C ARG A 55 11.739 2.873 0.238 1.00 0.32 C ATOM 699 O ARG A 55 11.549 4.066 0.394 1.00 0.33 O ATOM 700 CB ARG A 55 10.525 1.371 1.847 1.00 0.42 C ATOM 701 CG ARG A 55 11.754 0.512 2.180 1.00 0.59 C ATOM 702 CD ARG A 55 11.302 -0.825 2.775 1.00 1.10 C ATOM 703 NE ARG A 55 11.409 -1.896 1.741 1.00 1.65 N ATOM 704 CZ ARG A 55 10.421 -2.733 1.557 1.00 2.08 C ATOM 705 NH1 ARG A 55 10.036 -3.518 2.530 1.00 2.22 N ATOM 706 NH2 ARG A 55 9.819 -2.787 0.397 1.00 3.02 N ATOM 0 H ARG A 55 11.090 -0.152 -0.023 1.00 0.31 H new ATOM 0 HA ARG A 55 9.654 2.366 0.142 1.00 0.33 H new ATOM 0 HB2 ARG A 55 10.474 2.221 2.527 1.00 0.42 H new ATOM 0 HB3 ARG A 55 9.616 0.788 1.997 1.00 0.42 H new ATOM 0 HG2 ARG A 55 12.344 0.340 1.280 1.00 0.59 H new ATOM 0 HG3 ARG A 55 12.396 1.037 2.887 1.00 0.59 H new ATOM 0 HD2 ARG A 55 11.918 -1.077 3.639 1.00 1.10 H new ATOM 0 HD3 ARG A 55 10.274 -0.748 3.128 1.00 1.10 H new ATOM 0 HE ARG A 55 12.255 -1.975 1.176 1.00 1.65 H new ATOM 0 HH11 ARG A 55 10.507 -3.478 3.434 1.00 2.22 H new ATOM 0 HH12 ARG A 55 9.265 -4.170 2.385 1.00 2.22 H new ATOM 0 HH21 ARG A 55 10.120 -2.177 -0.363 1.00 3.02 H new ATOM 0 HH22 ARG A 55 9.048 -3.439 0.252 1.00 3.02 H new ATOM 720 N SER A 56 12.926 2.400 -0.084 1.00 0.35 N ATOM 721 CA SER A 56 14.090 3.323 -0.270 1.00 0.38 C ATOM 722 C SER A 56 13.808 4.264 -1.448 1.00 0.32 C ATOM 723 O SER A 56 14.181 5.424 -1.427 1.00 0.39 O ATOM 724 CB SER A 56 15.353 2.506 -0.561 1.00 0.44 C ATOM 725 OG SER A 56 15.803 1.892 0.640 1.00 1.33 O ATOM 0 H SER A 56 13.135 1.412 -0.225 1.00 0.35 H new ATOM 0 HA SER A 56 14.239 3.907 0.638 1.00 0.38 H new ATOM 0 HB2 SER A 56 15.143 1.747 -1.315 1.00 0.44 H new ATOM 0 HB3 SER A 56 16.132 3.151 -0.967 1.00 0.44 H new ATOM 0 HG SER A 56 16.610 1.367 0.457 1.00 1.33 H new ATOM 731 N ALA A 57 13.133 3.774 -2.465 1.00 0.28 N ATOM 732 CA ALA A 57 12.800 4.631 -3.643 1.00 0.30 C ATOM 733 C ALA A 57 11.542 5.445 -3.320 1.00 0.25 C ATOM 734 O ALA A 57 11.404 6.582 -3.735 1.00 0.34 O ATOM 735 CB ALA A 57 12.541 3.747 -4.866 1.00 0.42 C ATOM 0 H ALA A 57 12.799 2.812 -2.526 1.00 0.28 H new ATOM 0 HA ALA A 57 13.631 5.302 -3.860 1.00 0.30 H new ATOM 0 HB1 ALA A 57 12.298 4.374 -5.724 1.00 0.42 H new ATOM 0 HB2 ALA A 57 13.433 3.160 -5.086 1.00 0.42 H new ATOM 0 HB3 ALA A 57 11.707 3.076 -4.660 1.00 0.42 H new ATOM 741 N PHE A 58 10.631 4.862 -2.571 1.00 0.22 N ATOM 742 CA PHE A 58 9.375 5.566 -2.189 1.00 0.23 C ATOM 743 C PHE A 58 9.696 6.837 -1.392 1.00 0.22 C ATOM 744 O PHE A 58 8.964 7.809 -1.437 1.00 0.31 O ATOM 745 CB PHE A 58 8.536 4.621 -1.329 1.00 0.29 C ATOM 746 CG PHE A 58 7.083 5.006 -1.427 1.00 0.27 C ATOM 747 CD1 PHE A 58 6.367 4.698 -2.585 1.00 1.08 C ATOM 748 CD2 PHE A 58 6.455 5.667 -0.366 1.00 1.38 C ATOM 749 CE1 PHE A 58 5.017 5.051 -2.687 1.00 1.04 C ATOM 750 CE2 PHE A 58 5.104 6.020 -0.466 1.00 1.57 C ATOM 751 CZ PHE A 58 4.385 5.712 -1.627 1.00 0.74 C ATOM 0 H PHE A 58 10.713 3.913 -2.206 1.00 0.22 H new ATOM 0 HA PHE A 58 8.827 5.851 -3.087 1.00 0.23 H new ATOM 0 HB2 PHE A 58 8.673 3.592 -1.661 1.00 0.29 H new ATOM 0 HB3 PHE A 58 8.866 4.668 -0.291 1.00 0.29 H new ATOM 0 HD1 PHE A 58 6.855 4.187 -3.402 1.00 1.08 H new ATOM 0 HD2 PHE A 58 7.011 5.905 0.529 1.00 1.38 H new ATOM 0 HE1 PHE A 58 4.463 4.814 -3.583 1.00 1.04 H new ATOM 0 HE2 PHE A 58 4.617 6.530 0.352 1.00 1.57 H new ATOM 0 HZ PHE A 58 3.343 5.984 -1.705 1.00 0.74 H new ATOM 761 N ALA A 59 10.784 6.826 -0.668 1.00 0.21 N ATOM 762 CA ALA A 59 11.180 8.020 0.144 1.00 0.29 C ATOM 763 C ALA A 59 11.680 9.144 -0.776 1.00 0.29 C ATOM 764 O ALA A 59 11.559 10.312 -0.453 1.00 0.35 O ATOM 765 CB ALA A 59 12.295 7.625 1.116 1.00 0.35 C ATOM 0 H ALA A 59 11.423 6.034 -0.602 1.00 0.21 H new ATOM 0 HA ALA A 59 10.313 8.376 0.700 1.00 0.29 H new ATOM 0 HB1 ALA A 59 12.585 8.493 1.709 1.00 0.35 H new ATOM 0 HB2 ALA A 59 11.938 6.836 1.778 1.00 0.35 H new ATOM 0 HB3 ALA A 59 13.157 7.265 0.554 1.00 0.35 H new ATOM 771 N ASN A 60 12.242 8.801 -1.916 1.00 0.27 N ATOM 772 CA ASN A 60 12.754 9.846 -2.857 1.00 0.31 C ATOM 773 C ASN A 60 11.652 10.275 -3.847 1.00 0.31 C ATOM 774 O ASN A 60 11.915 10.997 -4.793 1.00 0.35 O ATOM 775 CB ASN A 60 13.947 9.276 -3.634 1.00 0.32 C ATOM 776 CG ASN A 60 15.227 10.003 -3.216 1.00 0.36 C ATOM 777 OD1 ASN A 60 15.678 10.903 -3.896 1.00 0.94 O ATOM 778 ND2 ASN A 60 15.836 9.650 -2.116 1.00 1.17 N ATOM 0 H ASN A 60 12.367 7.839 -2.232 1.00 0.27 H new ATOM 0 HA ASN A 60 13.062 10.720 -2.283 1.00 0.31 H new ATOM 0 HB2 ASN A 60 14.044 8.208 -3.440 1.00 0.32 H new ATOM 0 HB3 ASN A 60 13.785 9.392 -4.706 1.00 0.32 H new ATOM 0 HD21 ASN A 60 16.689 10.130 -1.829 1.00 1.17 H new ATOM 0 HD22 ASN A 60 15.459 8.895 -1.544 1.00 1.17 H new ATOM 785 N LEU A 61 10.424 9.843 -3.639 1.00 0.32 N ATOM 786 CA LEU A 61 9.317 10.221 -4.557 1.00 0.34 C ATOM 787 C LEU A 61 8.942 11.703 -4.360 1.00 0.42 C ATOM 788 O LEU A 61 9.302 12.309 -3.366 1.00 0.51 O ATOM 789 CB LEU A 61 8.109 9.339 -4.242 1.00 0.37 C ATOM 790 CG LEU A 61 8.240 8.000 -4.974 1.00 0.36 C ATOM 791 CD1 LEU A 61 7.181 7.029 -4.457 1.00 0.44 C ATOM 792 CD2 LEU A 61 8.038 8.214 -6.474 1.00 0.37 C ATOM 0 H LEU A 61 10.149 9.240 -2.863 1.00 0.32 H new ATOM 0 HA LEU A 61 9.631 10.079 -5.591 1.00 0.34 H new ATOM 0 HB2 LEU A 61 8.040 9.171 -3.167 1.00 0.37 H new ATOM 0 HB3 LEU A 61 7.191 9.842 -4.546 1.00 0.37 H new ATOM 0 HG LEU A 61 9.233 7.588 -4.794 1.00 0.36 H new ATOM 0 HD11 LEU A 61 7.275 6.077 -4.979 1.00 0.44 H new ATOM 0 HD12 LEU A 61 7.322 6.873 -3.388 1.00 0.44 H new ATOM 0 HD13 LEU A 61 6.189 7.444 -4.635 1.00 0.44 H new ATOM 0 HD21 LEU A 61 8.132 7.260 -6.993 1.00 0.37 H new ATOM 0 HD22 LEU A 61 7.046 8.628 -6.652 1.00 0.37 H new ATOM 0 HD23 LEU A 61 8.793 8.906 -6.848 1.00 0.37 H new ATOM 804 N PRO A 62 8.223 12.235 -5.325 1.00 0.42 N ATOM 805 CA PRO A 62 7.768 13.642 -5.314 1.00 0.50 C ATOM 806 C PRO A 62 6.573 13.827 -4.372 1.00 0.62 C ATOM 807 O PRO A 62 6.708 14.286 -3.253 1.00 1.13 O ATOM 808 CB PRO A 62 7.359 13.894 -6.771 1.00 0.46 C ATOM 809 CG PRO A 62 7.064 12.512 -7.388 1.00 0.42 C ATOM 810 CD PRO A 62 7.795 11.475 -6.520 1.00 0.38 C ATOM 0 HA PRO A 62 8.533 14.332 -4.959 1.00 0.50 H new ATOM 0 HB2 PRO A 62 6.480 14.537 -6.822 1.00 0.46 H new ATOM 0 HB3 PRO A 62 8.156 14.400 -7.316 1.00 0.46 H new ATOM 0 HG2 PRO A 62 5.992 12.316 -7.404 1.00 0.42 H new ATOM 0 HG3 PRO A 62 7.412 12.467 -8.420 1.00 0.42 H new ATOM 0 HD2 PRO A 62 7.138 10.648 -6.251 1.00 0.38 H new ATOM 0 HD3 PRO A 62 8.648 11.047 -7.046 1.00 0.38 H new ATOM 818 N LEU A 63 5.414 13.479 -4.853 1.00 0.45 N ATOM 819 CA LEU A 63 4.139 13.613 -4.083 1.00 0.46 C ATOM 820 C LEU A 63 2.994 13.381 -5.073 1.00 0.44 C ATOM 821 O LEU A 63 1.988 12.773 -4.754 1.00 0.44 O ATOM 822 CB LEU A 63 4.011 15.019 -3.463 1.00 0.58 C ATOM 823 CG LEU A 63 4.514 16.092 -4.442 1.00 1.00 C ATOM 824 CD1 LEU A 63 3.401 16.467 -5.422 1.00 1.32 C ATOM 825 CD2 LEU A 63 4.940 17.335 -3.657 1.00 1.43 C ATOM 0 H LEU A 63 5.290 13.090 -5.788 1.00 0.45 H new ATOM 0 HA LEU A 63 4.116 12.892 -3.266 1.00 0.46 H new ATOM 0 HB2 LEU A 63 2.970 15.215 -3.204 1.00 0.58 H new ATOM 0 HB3 LEU A 63 4.584 15.067 -2.537 1.00 0.58 H new ATOM 0 HG LEU A 63 5.364 15.699 -4.999 1.00 1.00 H new ATOM 0 HD11 LEU A 63 3.765 17.228 -6.112 1.00 1.32 H new ATOM 0 HD12 LEU A 63 3.097 15.583 -5.983 1.00 1.32 H new ATOM 0 HD13 LEU A 63 2.546 16.858 -4.870 1.00 1.32 H new ATOM 0 HD21 LEU A 63 5.297 18.098 -4.349 1.00 1.43 H new ATOM 0 HD22 LEU A 63 4.088 17.722 -3.098 1.00 1.43 H new ATOM 0 HD23 LEU A 63 5.739 17.071 -2.964 1.00 1.43 H new ATOM 837 N TRP A 64 3.176 13.847 -6.292 1.00 0.45 N ATOM 838 CA TRP A 64 2.178 13.667 -7.352 1.00 0.48 C ATOM 839 C TRP A 64 2.261 12.214 -7.830 1.00 0.43 C ATOM 840 O TRP A 64 1.260 11.590 -8.129 1.00 0.43 O ATOM 841 CB TRP A 64 2.515 14.647 -8.483 1.00 0.54 C ATOM 842 CG TRP A 64 3.847 14.315 -9.097 1.00 0.53 C ATOM 843 CD1 TRP A 64 5.056 14.792 -8.694 1.00 0.53 C ATOM 844 CD2 TRP A 64 4.114 13.437 -10.220 1.00 0.53 C ATOM 845 NE1 TRP A 64 6.036 14.265 -9.517 1.00 0.52 N ATOM 846 CE2 TRP A 64 5.504 13.422 -10.472 1.00 0.53 C ATOM 847 CE3 TRP A 64 3.283 12.663 -11.036 1.00 0.54 C ATOM 848 CZ2 TRP A 64 6.050 12.660 -11.505 1.00 0.54 C ATOM 849 CZ3 TRP A 64 3.823 11.892 -12.078 1.00 0.55 C ATOM 850 CH2 TRP A 64 5.206 11.892 -12.313 1.00 0.56 C ATOM 0 H TRP A 64 4.009 14.358 -6.584 1.00 0.45 H new ATOM 0 HA TRP A 64 1.164 13.866 -7.005 1.00 0.48 H new ATOM 0 HB2 TRP A 64 1.738 14.610 -9.246 1.00 0.54 H new ATOM 0 HB3 TRP A 64 2.532 15.665 -8.095 1.00 0.54 H new ATOM 0 HD1 TRP A 64 5.223 15.469 -7.869 1.00 0.53 H new ATOM 0 HE1 TRP A 64 7.030 14.474 -9.429 1.00 0.52 H new ATOM 0 HE3 TRP A 64 2.217 12.658 -10.863 1.00 0.54 H new ATOM 0 HZ2 TRP A 64 7.116 12.663 -11.679 1.00 0.54 H new ATOM 0 HZ3 TRP A 64 3.171 11.297 -12.701 1.00 0.55 H new ATOM 0 HH2 TRP A 64 5.618 11.300 -13.117 1.00 0.56 H new ATOM 861 N LYS A 65 3.460 11.667 -7.865 1.00 0.40 N ATOM 862 CA LYS A 65 3.636 10.245 -8.276 1.00 0.37 C ATOM 863 C LYS A 65 3.275 9.361 -7.077 1.00 0.30 C ATOM 864 O LYS A 65 2.583 8.376 -7.218 1.00 0.29 O ATOM 865 CB LYS A 65 5.094 10.007 -8.691 1.00 0.37 C ATOM 866 CG LYS A 65 5.370 8.504 -8.797 1.00 0.37 C ATOM 867 CD LYS A 65 6.576 8.268 -9.709 1.00 0.61 C ATOM 868 CE LYS A 65 6.968 6.789 -9.669 1.00 1.14 C ATOM 869 NZ LYS A 65 8.269 6.597 -10.372 1.00 1.44 N ATOM 0 H LYS A 65 4.323 12.154 -7.624 1.00 0.40 H new ATOM 0 HA LYS A 65 2.994 10.006 -9.124 1.00 0.37 H new ATOM 0 HB2 LYS A 65 5.292 10.490 -9.648 1.00 0.37 H new ATOM 0 HB3 LYS A 65 5.767 10.458 -7.961 1.00 0.37 H new ATOM 0 HG2 LYS A 65 5.562 8.088 -7.808 1.00 0.37 H new ATOM 0 HG3 LYS A 65 4.495 7.990 -9.194 1.00 0.37 H new ATOM 0 HD2 LYS A 65 6.336 8.563 -10.730 1.00 0.61 H new ATOM 0 HD3 LYS A 65 7.414 8.886 -9.387 1.00 0.61 H new ATOM 0 HE2 LYS A 65 7.048 6.452 -8.636 1.00 1.14 H new ATOM 0 HE3 LYS A 65 6.195 6.184 -10.143 1.00 1.14 H new ATOM 0 HZ1 LYS A 65 8.534 5.592 -10.344 1.00 1.44 H new ATOM 0 HZ2 LYS A 65 8.177 6.903 -11.362 1.00 1.44 H new ATOM 0 HZ3 LYS A 65 9.005 7.162 -9.901 1.00 1.44 H new ATOM 883 N GLN A 66 3.729 9.733 -5.897 1.00 0.28 N ATOM 884 CA GLN A 66 3.413 8.953 -4.656 1.00 0.24 C ATOM 885 C GLN A 66 1.916 8.669 -4.595 1.00 0.23 C ATOM 886 O GLN A 66 1.484 7.537 -4.481 1.00 0.21 O ATOM 887 CB GLN A 66 3.781 9.798 -3.437 1.00 0.26 C ATOM 888 CG GLN A 66 3.633 8.961 -2.163 1.00 0.25 C ATOM 889 CD GLN A 66 4.880 9.128 -1.290 1.00 0.34 C ATOM 890 OE1 GLN A 66 6.049 8.813 -1.778 1.00 0.47 O flip ATOM 891 NE2 GLN A 66 4.789 9.549 -0.154 1.00 0.48 N flip ATOM 0 H GLN A 66 4.312 10.555 -5.743 1.00 0.28 H new ATOM 0 HA GLN A 66 3.972 8.017 -4.667 1.00 0.24 H new ATOM 0 HB2 GLN A 66 4.805 10.159 -3.529 1.00 0.26 H new ATOM 0 HB3 GLN A 66 3.137 10.676 -3.383 1.00 0.26 H new ATOM 0 HG2 GLN A 66 2.746 9.274 -1.612 1.00 0.25 H new ATOM 0 HG3 GLN A 66 3.495 7.911 -2.420 1.00 0.25 H new ATOM 0 HE21 GLN A 66 3.875 9.795 0.227 1.00 0.48 H new ATOM 0 HE22 GLN A 66 5.626 9.656 0.419 1.00 0.48 H new ATOM 900 N GLN A 67 1.134 9.712 -4.651 1.00 0.25 N ATOM 901 CA GLN A 67 -0.351 9.568 -4.583 1.00 0.26 C ATOM 902 C GLN A 67 -0.860 8.741 -5.767 1.00 0.24 C ATOM 903 O GLN A 67 -1.725 7.900 -5.609 1.00 0.24 O ATOM 904 CB GLN A 67 -0.970 10.964 -4.585 1.00 0.30 C ATOM 905 CG GLN A 67 -1.281 11.433 -6.010 1.00 0.32 C ATOM 906 CD GLN A 67 -1.797 12.874 -5.976 1.00 0.37 C ATOM 907 OE1 GLN A 67 -2.945 13.127 -6.284 1.00 1.03 O ATOM 908 NE2 GLN A 67 -0.993 13.836 -5.611 1.00 0.90 N ATOM 0 H GLN A 67 1.465 10.673 -4.742 1.00 0.25 H new ATOM 0 HA GLN A 67 -0.636 9.044 -3.671 1.00 0.26 H new ATOM 0 HB2 GLN A 67 -1.886 10.959 -3.994 1.00 0.30 H new ATOM 0 HB3 GLN A 67 -0.287 11.668 -4.109 1.00 0.30 H new ATOM 0 HG2 GLN A 67 -0.385 11.372 -6.627 1.00 0.32 H new ATOM 0 HG3 GLN A 67 -2.026 10.780 -6.464 1.00 0.32 H new ATOM 0 HE21 GLN A 67 -0.029 13.625 -5.352 1.00 0.90 H new ATOM 0 HE22 GLN A 67 -1.329 14.799 -5.585 1.00 0.90 H new ATOM 917 N ASN A 68 -0.318 8.958 -6.943 1.00 0.26 N ATOM 918 CA ASN A 68 -0.757 8.165 -8.128 1.00 0.28 C ATOM 919 C ASN A 68 -0.259 6.727 -7.978 1.00 0.26 C ATOM 920 O ASN A 68 -0.751 5.821 -8.624 1.00 0.29 O ATOM 921 CB ASN A 68 -0.178 8.778 -9.403 1.00 0.32 C ATOM 922 CG ASN A 68 -1.177 9.776 -9.994 1.00 0.82 C ATOM 923 OD1 ASN A 68 -1.941 9.438 -10.877 1.00 1.30 O ATOM 924 ND2 ASN A 68 -1.206 11.001 -9.542 1.00 1.32 N ATOM 0 H ASN A 68 0.408 9.650 -7.130 1.00 0.26 H new ATOM 0 HA ASN A 68 -1.845 8.174 -8.192 1.00 0.28 H new ATOM 0 HB2 ASN A 68 0.764 9.279 -9.182 1.00 0.32 H new ATOM 0 HB3 ASN A 68 0.040 7.994 -10.128 1.00 0.32 H new ATOM 0 HD21 ASN A 68 -1.869 11.672 -9.930 1.00 1.32 H new ATOM 0 HD22 ASN A 68 -0.566 11.287 -8.801 1.00 1.32 H new ATOM 931 N LEU A 69 0.702 6.517 -7.110 1.00 0.23 N ATOM 932 CA LEU A 69 1.233 5.141 -6.885 1.00 0.23 C ATOM 933 C LEU A 69 0.283 4.404 -5.947 1.00 0.23 C ATOM 934 O LEU A 69 0.026 3.224 -6.102 1.00 0.27 O ATOM 935 CB LEU A 69 2.624 5.209 -6.249 1.00 0.23 C ATOM 936 CG LEU A 69 3.640 5.614 -7.302 1.00 0.28 C ATOM 937 CD1 LEU A 69 4.955 6.003 -6.625 1.00 0.32 C ATOM 938 CD2 LEU A 69 3.882 4.445 -8.260 1.00 0.35 C ATOM 0 H LEU A 69 1.141 7.245 -6.547 1.00 0.23 H new ATOM 0 HA LEU A 69 1.309 4.617 -7.838 1.00 0.23 H new ATOM 0 HB2 LEU A 69 2.627 5.928 -5.430 1.00 0.23 H new ATOM 0 HB3 LEU A 69 2.890 4.241 -5.825 1.00 0.23 H new ATOM 0 HG LEU A 69 3.257 6.467 -7.863 1.00 0.28 H new ATOM 0 HD11 LEU A 69 5.683 6.293 -7.383 1.00 0.32 H new ATOM 0 HD12 LEU A 69 4.782 6.840 -5.948 1.00 0.32 H new ATOM 0 HD13 LEU A 69 5.339 5.153 -6.060 1.00 0.32 H new ATOM 0 HD21 LEU A 69 4.612 4.738 -9.015 1.00 0.35 H new ATOM 0 HD22 LEU A 69 4.262 3.589 -7.701 1.00 0.35 H new ATOM 0 HD23 LEU A 69 2.945 4.174 -8.747 1.00 0.35 H new ATOM 950 N LYS A 70 -0.249 5.112 -4.985 1.00 0.23 N ATOM 951 CA LYS A 70 -1.207 4.496 -4.021 1.00 0.26 C ATOM 952 C LYS A 70 -2.585 4.400 -4.688 1.00 0.29 C ATOM 953 O LYS A 70 -3.280 3.410 -4.552 1.00 0.34 O ATOM 954 CB LYS A 70 -1.300 5.365 -2.766 1.00 0.30 C ATOM 955 CG LYS A 70 0.064 5.421 -2.070 1.00 0.48 C ATOM 956 CD LYS A 70 -0.027 4.749 -0.698 1.00 0.60 C ATOM 957 CE LYS A 70 1.007 5.369 0.245 1.00 0.78 C ATOM 958 NZ LYS A 70 0.679 5.007 1.654 1.00 1.06 N ATOM 0 H LYS A 70 -0.058 6.101 -4.825 1.00 0.23 H new ATOM 0 HA LYS A 70 -0.863 3.501 -3.739 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -1.624 6.371 -3.033 1.00 0.30 H new ATOM 0 HB3 LYS A 70 -2.049 4.959 -2.086 1.00 0.30 H new ATOM 0 HG2 LYS A 70 0.815 4.921 -2.681 1.00 0.48 H new ATOM 0 HG3 LYS A 70 0.383 6.457 -1.957 1.00 0.48 H new ATOM 0 HD2 LYS A 70 -1.029 4.872 -0.287 1.00 0.60 H new ATOM 0 HD3 LYS A 70 0.149 3.678 -0.794 1.00 0.60 H new ATOM 0 HE2 LYS A 70 2.006 5.014 -0.009 1.00 0.78 H new ATOM 0 HE3 LYS A 70 1.015 6.453 0.130 1.00 0.78 H new ATOM 0 HZ1 LYS A 70 1.510 5.171 2.257 1.00 1.06 H new ATOM 0 HZ2 LYS A 70 -0.112 5.593 1.988 1.00 1.06 H new ATOM 0 HZ3 LYS A 70 0.410 4.003 1.701 1.00 1.06 H new ATOM 972 N LYS A 71 -2.971 5.420 -5.425 1.00 0.31 N ATOM 973 CA LYS A 71 -4.290 5.403 -6.129 1.00 0.35 C ATOM 974 C LYS A 71 -4.247 4.397 -7.293 1.00 0.36 C ATOM 975 O LYS A 71 -5.272 4.027 -7.837 1.00 0.42 O ATOM 976 CB LYS A 71 -4.580 6.804 -6.680 1.00 0.38 C ATOM 977 CG LYS A 71 -6.088 7.057 -6.685 1.00 0.68 C ATOM 978 CD LYS A 71 -6.477 7.823 -7.951 1.00 1.39 C ATOM 979 CE LYS A 71 -7.853 8.467 -7.758 1.00 1.74 C ATOM 980 NZ LYS A 71 -7.849 9.839 -8.343 1.00 2.33 N ATOM 0 H LYS A 71 -2.422 6.268 -5.567 1.00 0.31 H new ATOM 0 HA LYS A 71 -5.072 5.108 -5.429 1.00 0.35 H new ATOM 0 HB2 LYS A 71 -4.078 7.555 -6.071 1.00 0.38 H new ATOM 0 HB3 LYS A 71 -4.183 6.896 -7.691 1.00 0.38 H new ATOM 0 HG2 LYS A 71 -6.626 6.110 -6.641 1.00 0.68 H new ATOM 0 HG3 LYS A 71 -6.374 7.627 -5.801 1.00 0.68 H new ATOM 0 HD2 LYS A 71 -5.733 8.589 -8.168 1.00 1.39 H new ATOM 0 HD3 LYS A 71 -6.497 7.147 -8.806 1.00 1.39 H new ATOM 0 HE2 LYS A 71 -8.621 7.859 -8.236 1.00 1.74 H new ATOM 0 HE3 LYS A 71 -8.098 8.514 -6.697 1.00 1.74 H new ATOM 0 HZ1 LYS A 71 -8.784 10.275 -8.211 1.00 2.33 H new ATOM 0 HZ2 LYS A 71 -7.127 10.417 -7.867 1.00 2.33 H new ATOM 0 HZ3 LYS A 71 -7.633 9.783 -9.359 1.00 2.33 H new ATOM 994 N GLU A 72 -3.064 3.959 -7.676 1.00 0.35 N ATOM 995 CA GLU A 72 -2.930 2.984 -8.801 1.00 0.40 C ATOM 996 C GLU A 72 -3.626 1.666 -8.439 1.00 0.42 C ATOM 997 O GLU A 72 -4.505 1.209 -9.148 1.00 0.46 O ATOM 998 CB GLU A 72 -1.443 2.719 -9.067 1.00 0.51 C ATOM 999 CG GLU A 72 -1.073 3.203 -10.472 1.00 0.64 C ATOM 1000 CD GLU A 72 0.452 3.293 -10.600 1.00 1.25 C ATOM 1001 OE1 GLU A 72 1.066 2.275 -10.878 1.00 1.98 O ATOM 1002 OE2 GLU A 72 0.981 4.379 -10.418 1.00 1.82 O ATOM 0 H GLU A 72 -2.182 4.242 -7.250 1.00 0.35 H new ATOM 0 HA GLU A 72 -3.397 3.400 -9.694 1.00 0.40 H new ATOM 0 HB2 GLU A 72 -0.834 3.233 -8.323 1.00 0.51 H new ATOM 0 HB3 GLU A 72 -1.231 1.654 -8.972 1.00 0.51 H new ATOM 0 HG2 GLU A 72 -1.471 2.518 -11.220 1.00 0.64 H new ATOM 0 HG3 GLU A 72 -1.522 4.178 -10.662 1.00 0.64 H new ATOM 1009 N LYS A 73 -3.238 1.054 -7.343 1.00 0.47 N ATOM 1010 CA LYS A 73 -3.872 -0.237 -6.930 1.00 0.58 C ATOM 1011 C LYS A 73 -5.197 0.046 -6.214 1.00 0.53 C ATOM 1012 O LYS A 73 -6.234 -0.469 -6.593 1.00 0.65 O ATOM 1013 CB LYS A 73 -2.929 -0.997 -5.989 1.00 0.70 C ATOM 1014 CG LYS A 73 -2.703 -2.415 -6.524 1.00 0.85 C ATOM 1015 CD LYS A 73 -3.915 -3.290 -6.192 1.00 1.33 C ATOM 1016 CE LYS A 73 -4.192 -4.246 -7.355 1.00 1.55 C ATOM 1017 NZ LYS A 73 -5.466 -4.980 -7.105 1.00 2.07 N ATOM 0 H LYS A 73 -2.508 1.395 -6.717 1.00 0.47 H new ATOM 0 HA LYS A 73 -4.063 -0.844 -7.815 1.00 0.58 H new ATOM 0 HB2 LYS A 73 -1.977 -0.472 -5.909 1.00 0.70 H new ATOM 0 HB3 LYS A 73 -3.355 -1.039 -4.987 1.00 0.70 H new ATOM 0 HG2 LYS A 73 -2.547 -2.387 -7.602 1.00 0.85 H new ATOM 0 HG3 LYS A 73 -1.802 -2.842 -6.083 1.00 0.85 H new ATOM 0 HD2 LYS A 73 -3.729 -3.856 -5.279 1.00 1.33 H new ATOM 0 HD3 LYS A 73 -4.788 -2.664 -6.006 1.00 1.33 H new ATOM 0 HE2 LYS A 73 -4.259 -3.689 -8.289 1.00 1.55 H new ATOM 0 HE3 LYS A 73 -3.369 -4.952 -7.463 1.00 1.55 H new ATOM 0 HZ1 LYS A 73 -5.544 -5.776 -7.770 1.00 2.07 H new ATOM 0 HZ2 LYS A 73 -5.473 -5.341 -6.130 1.00 2.07 H new ATOM 0 HZ3 LYS A 73 -6.271 -4.335 -7.241 1.00 2.07 H new ATOM 1031 N GLY A 74 -5.169 0.861 -5.184 1.00 0.46 N ATOM 1032 CA GLY A 74 -6.424 1.184 -4.439 1.00 0.55 C ATOM 1033 C GLY A 74 -6.091 1.507 -2.980 1.00 0.54 C ATOM 1034 O GLY A 74 -6.427 0.758 -2.082 1.00 0.67 O ATOM 0 H GLY A 74 -4.328 1.316 -4.829 1.00 0.46 H new ATOM 0 HA2 GLY A 74 -6.926 2.033 -4.904 1.00 0.55 H new ATOM 0 HA3 GLY A 74 -7.113 0.341 -4.486 1.00 0.55 H new ATOM 1038 N LEU A 75 -5.446 2.627 -2.744 1.00 0.46 N ATOM 1039 CA LEU A 75 -5.092 3.031 -1.350 1.00 0.53 C ATOM 1040 C LEU A 75 -5.396 4.518 -1.207 1.00 0.53 C ATOM 1041 O LEU A 75 -5.998 4.947 -0.240 1.00 0.67 O ATOM 1042 CB LEU A 75 -3.596 2.792 -1.064 1.00 0.51 C ATOM 1043 CG LEU A 75 -3.043 1.666 -1.946 1.00 0.70 C ATOM 1044 CD1 LEU A 75 -1.516 1.652 -1.852 1.00 0.70 C ATOM 1045 CD2 LEU A 75 -3.591 0.316 -1.472 1.00 1.48 C ATOM 0 H LEU A 75 -5.148 3.282 -3.467 1.00 0.46 H new ATOM 0 HA LEU A 75 -5.670 2.436 -0.643 1.00 0.53 H new ATOM 0 HB2 LEU A 75 -3.036 3.709 -1.245 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -3.459 2.537 -0.013 1.00 0.51 H new ATOM 0 HG LEU A 75 -3.348 1.836 -2.978 1.00 0.70 H new ATOM 0 HD11 LEU A 75 -1.120 0.852 -2.478 1.00 0.70 H new ATOM 0 HD12 LEU A 75 -1.122 2.609 -2.193 1.00 0.70 H new ATOM 0 HD13 LEU A 75 -1.217 1.485 -0.817 1.00 0.70 H new ATOM 0 HD21 LEU A 75 -3.194 -0.479 -2.103 1.00 1.48 H new ATOM 0 HD22 LEU A 75 -3.290 0.144 -0.439 1.00 1.48 H new ATOM 0 HD23 LEU A 75 -4.679 0.322 -1.537 1.00 1.48 H new ATOM 1057 N PHE A 76 -4.986 5.305 -2.178 1.00 0.42 N ATOM 1058 CA PHE A 76 -5.247 6.761 -2.127 1.00 0.48 C ATOM 1059 C PHE A 76 -6.574 7.088 -2.832 1.00 0.62 C ATOM 1060 O PHE A 76 -6.876 6.450 -3.830 1.00 1.22 O ATOM 1061 CB PHE A 76 -4.092 7.494 -2.813 1.00 0.41 C ATOM 1062 CG PHE A 76 -3.024 7.853 -1.801 1.00 0.35 C ATOM 1063 CD1 PHE A 76 -2.783 7.025 -0.694 1.00 1.30 C ATOM 1064 CD2 PHE A 76 -2.270 9.020 -1.973 1.00 1.16 C ATOM 1065 CE1 PHE A 76 -1.793 7.367 0.234 1.00 1.31 C ATOM 1066 CE2 PHE A 76 -1.280 9.361 -1.046 1.00 1.17 C ATOM 1067 CZ PHE A 76 -1.042 8.535 0.058 1.00 0.40 C ATOM 1068 OXT PHE A 76 -7.266 7.974 -2.359 1.00 1.05 O ATOM 0 H PHE A 76 -4.479 4.988 -3.004 1.00 0.42 H new ATOM 0 HA PHE A 76 -5.322 7.083 -1.088 1.00 0.48 H new ATOM 0 HB2 PHE A 76 -3.666 6.865 -3.594 1.00 0.41 H new ATOM 0 HB3 PHE A 76 -4.462 8.397 -3.298 1.00 0.41 H new ATOM 0 HD1 PHE A 76 -3.362 6.123 -0.558 1.00 1.30 H new ATOM 0 HD2 PHE A 76 -2.453 9.659 -2.824 1.00 1.16 H new ATOM 0 HE1 PHE A 76 -1.608 6.730 1.086 1.00 1.31 H new ATOM 0 HE2 PHE A 76 -0.699 10.261 -1.182 1.00 1.17 H new ATOM 0 HZ PHE A 76 -0.278 8.799 0.775 1.00 0.40 H new TER 1078 PHE A 76 END