USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) HEADER CELL SURFACE PROTEIN 08-MAY-97 1NRE TITLE RECEPTOR ASSOCIATED PROTEIN (RAP) DOMAIN 1, NMR, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: RECEPTOR-ASSOCIATED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN, DOMAIN 1, RESIDUES 17 - 97; COMPND 5 SYNONYM: RAP, LOW DENSITY LIPOPROTEIN RECEPTOR RELATED COMPND 6 PROTEIN, ALPHA=2=MACROGLOBULIN RECEPTOR ASSOCIATED PROTEIN; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PT=7=H=6=UB KEYWDS ALPHA2MACROGLOBULIN RECEPTOR ASSOCIATED PROTEIN, LOW KEYWDS 2 DENSITY LIPOPROTEIN RECEPTOR FAMILY ASSOCIATED PROTEIN, KEYWDS 3 LDLR FAMILY ASSOCIATED PROTEIN, HELIX BUNDLE, CELL SURFACE KEYWDS 4 PROTEIN EXPDTA SOLUTION NMR AUTHOR P.R.NIELSEN,F.M.POULSEN REVDAT 2 24-FEB-09 1NRE 1 VERSN REVDAT 1 20-AUG-97 1NRE 0 JRNL AUTH P.R.NIELSEN,L.ELLGAARD,M.ETZERODT,H.C.THOGERSEN, JRNL AUTH 2 F.M.POULSEN JRNL TITL THE SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF JRNL TITL 2 ALPHA2-MACROGLOBULIN RECEPTOR-ASSOCIATED PROTEIN. JRNL REF PROC.NATL.ACAD.SCI.USA V. 94 7521 1997 JRNL REFN ISSN 0027-8424 JRNL PMID 9207124 JRNL DOI 10.1073/PNAS.94.14.7521 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.R.NIELSEN,L.ELLGAARD,P.H.JENSEN,H.C.THOEGERSEN, REMARK 1 AUTH 2 F.M.POULSEN REMARK 1 TITL ALPHA2-MACROGLOBULIN RECEPTOR ASSOCIATED PROTEINS REMARK 1 TITL 2 CONSIST OF THREE DOMAINS WITH SIMILAR STRUCTURAL REMARK 1 TITL 3 MOTIFS. THE 1H, 15N, AND 13C CHEMICAL SHIFT REMARK 1 TITL 4 ASSIGNMENTS AND SECONDARY STRUCTURE OF THE REMARK 1 TITL 5 TRUNCATED N-TERMINAL DOMAIN OF HUMAN RAP REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH L.ELLGAARD,T.L.HOLTET,P.R.NIELSEN,M.ETZERODT, REMARK 1 AUTH 2 J.GLIEMANN,H.C.THOGERSEN REMARK 1 TITL DISSECTION OF THE DOMAIN ARCHITECTURE OF THE REMARK 1 TITL 2 ALPHA2MACROGLOBULIN-RECEPTOR-ASSOCIATED PROTEIN REMARK 1 REF EUR.J.BIOCHEM. V. 244 544 1997 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NRE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.4 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DG, MD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 ASP A 68 54.21 -101.81 REMARK 500 LYS A 94 37.80 -151.55 REMARK 500 ASP A 95 -75.21 -116.36 REMARK 500 ALA A 96 -52.83 -135.80 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 21 0.31 SIDE_CHAIN REMARK 500 ARG A 34 0.31 SIDE_CHAIN REMARK 500 ARG A 41 0.31 SIDE_CHAIN REMARK 500 ARG A 54 0.32 SIDE_CHAIN REMARK 500 ARG A 76 0.30 SIDE_CHAIN REMARK 500 ARG A 79 0.32 SIDE_CHAIN REMARK 500 ARG A 97 0.29 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1NRE A 17 97 UNP P30533 AMRP_HUMAN 51 131 SEQRES 1 A 81 GLY GLU GLU PHE ARG MET GLU LYS LEU ASN GLN LEU TRP SEQRES 2 A 81 GLU LYS ALA GLN ARG LEU HIS LEU PRO PRO VAL ARG LEU SEQRES 3 A 81 ALA GLU LEU HIS ALA ASP LEU LYS ILE GLN GLU ARG ASP SEQRES 4 A 81 GLU LEU ALA TRP LYS LYS LEU LYS LEU ASP GLY LEU ASP SEQRES 5 A 81 GLU ASP GLY GLU LYS GLU ALA ARG LEU ILE ARG ASN LEU SEQRES 6 A 81 ASN VAL ILE LEU ALA LYS TYR GLY LEU ASP GLY LYS LYS SEQRES 7 A 81 ASP ALA ARG HELIX 1 1 GLU A 23 ARG A 34 1 12 HELIX 2 2 PRO A 39 ASP A 65 1 27 HELIX 3 3 LYS A 73 TYR A 88 1 16 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 22 MET CE :methyl -147:sc= -4.94! (180deg=-8.42!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.415 K(o=0.42,f=-9.4!) USER MOD Single : A 27 GLN : amide:sc= 0.564 K(o=0.56,f=-2.9!) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0.938 (180deg=0.608) USER MOD Single : A 33 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.43) USER MOD Single : A 36 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.21) USER MOD Single : A 46 HIS : no HE2:sc= -2.67! K(o=-2.7!,f=-1.9) USER MOD Single : A 50 LYS NZ :NH3+ -122:sc= 0.871 (180deg=-0.238!) USER MOD Single : A 52 GLN : amide:sc= -8.09! C(o=-8.1!,f=-5.7!) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 0.01 (180deg=0) USER MOD Single : A 61 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 82 ASN : amide:sc= 1.19 K(o=1.2,f=-0.058) USER MOD Single : A 87 LYS NZ :NH3+ -137:sc= 0.992 (180deg=-1.53!) USER MOD Single : A 88 TYR OH : rot 180:sc= -3.32! USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0.933 (180deg=0.7) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 5.130 15.562 5.719 1.00 0.00 N ATOM 2 CA GLY A 17 5.540 15.111 4.351 1.00 0.00 C ATOM 3 C GLY A 17 4.740 13.866 3.970 1.00 0.00 C ATOM 4 O GLY A 17 5.285 12.792 3.819 1.00 0.00 O ATOM 0 HA2 GLY A 17 5.365 15.906 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.607 14.891 4.332 1.00 0.00 H new ATOM 10 N GLU A 18 3.449 14.005 3.831 1.00 0.00 N ATOM 11 CA GLU A 18 2.594 12.831 3.480 1.00 0.00 C ATOM 12 C GLU A 18 1.996 12.979 2.074 1.00 0.00 C ATOM 13 O GLU A 18 1.345 13.956 1.751 1.00 0.00 O ATOM 14 CB GLU A 18 1.490 12.785 4.547 1.00 0.00 C ATOM 15 CG GLU A 18 0.918 14.191 4.814 1.00 0.00 C ATOM 16 CD GLU A 18 1.682 14.860 5.965 1.00 0.00 C ATOM 17 OE1 GLU A 18 1.398 14.538 7.103 1.00 0.00 O ATOM 18 OE2 GLU A 18 2.548 15.681 5.682 1.00 0.00 O ATOM 0 H GLU A 18 2.946 14.885 3.946 1.00 0.00 H new ATOM 0 HA GLU A 18 3.174 11.908 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.691 12.120 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.891 12.370 5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.994 14.800 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.141 14.120 5.062 1.00 0.00 H new ATOM 25 N GLU A 19 2.222 12.001 1.239 1.00 0.59 N ATOM 26 CA GLU A 19 1.691 12.041 -0.156 1.00 0.50 C ATOM 27 C GLU A 19 0.394 11.212 -0.285 1.00 0.48 C ATOM 28 O GLU A 19 -0.197 11.124 -1.351 1.00 0.55 O ATOM 29 CB GLU A 19 2.820 11.461 -1.027 1.00 0.53 C ATOM 30 CG GLU A 19 4.158 12.126 -0.646 1.00 1.09 C ATOM 31 CD GLU A 19 5.069 12.245 -1.869 1.00 1.76 C ATOM 32 OE1 GLU A 19 4.787 13.072 -2.715 1.00 2.36 O ATOM 33 OE2 GLU A 19 6.048 11.523 -1.927 1.00 2.48 O ATOM 0 H GLU A 19 2.759 11.164 1.467 1.00 0.59 H new ATOM 0 HA GLU A 19 1.423 13.052 -0.462 1.00 0.50 H new ATOM 0 HB2 GLU A 19 2.885 10.382 -0.886 1.00 0.53 H new ATOM 0 HB3 GLU A 19 2.604 11.632 -2.082 1.00 0.53 H new ATOM 0 HG2 GLU A 19 3.972 13.115 -0.227 1.00 1.09 H new ATOM 0 HG3 GLU A 19 4.654 11.540 0.128 1.00 1.09 H new ATOM 40 N PHE A 20 -0.046 10.600 0.787 1.00 0.46 N ATOM 41 CA PHE A 20 -1.289 9.771 0.732 1.00 0.46 C ATOM 42 C PHE A 20 -2.315 10.267 1.769 1.00 0.54 C ATOM 43 O PHE A 20 -1.980 10.976 2.700 1.00 0.65 O ATOM 44 CB PHE A 20 -0.807 8.354 1.053 1.00 0.40 C ATOM 45 CG PHE A 20 0.233 7.932 0.032 1.00 0.34 C ATOM 46 CD1 PHE A 20 1.596 8.194 0.256 1.00 0.97 C ATOM 47 CD2 PHE A 20 -0.162 7.281 -1.142 1.00 0.88 C ATOM 48 CE1 PHE A 20 2.547 7.809 -0.692 1.00 0.95 C ATOM 49 CE2 PHE A 20 0.799 6.897 -2.087 1.00 0.87 C ATOM 50 CZ PHE A 20 2.150 7.163 -1.861 1.00 0.25 C ATOM 0 H PHE A 20 0.405 10.640 1.701 1.00 0.46 H new ATOM 0 HA PHE A 20 -1.793 9.823 -0.233 1.00 0.46 H new ATOM 0 HB2 PHE A 20 -0.382 8.321 2.056 1.00 0.40 H new ATOM 0 HB3 PHE A 20 -1.648 7.660 1.040 1.00 0.40 H new ATOM 0 HD1 PHE A 20 1.908 8.693 1.161 1.00 0.97 H new ATOM 0 HD2 PHE A 20 -1.207 7.075 -1.320 1.00 0.88 H new ATOM 0 HE1 PHE A 20 3.593 8.013 -0.518 1.00 0.95 H new ATOM 0 HE2 PHE A 20 0.493 6.394 -2.992 1.00 0.87 H new ATOM 0 HZ PHE A 20 2.888 6.868 -2.592 1.00 0.25 H new ATOM 60 N ARG A 21 -3.564 9.899 1.615 1.00 0.52 N ATOM 61 CA ARG A 21 -4.613 10.360 2.593 1.00 0.60 C ATOM 62 C ARG A 21 -4.627 9.481 3.840 1.00 0.59 C ATOM 63 O ARG A 21 -5.184 9.848 4.859 1.00 0.65 O ATOM 64 CB ARG A 21 -5.958 10.221 1.876 1.00 0.65 C ATOM 65 CG ARG A 21 -6.005 11.160 0.681 1.00 0.69 C ATOM 66 CD ARG A 21 -5.393 10.446 -0.519 1.00 1.11 C ATOM 67 NE ARG A 21 -6.380 10.576 -1.632 1.00 1.21 N ATOM 68 CZ ARG A 21 -7.053 11.668 -1.807 1.00 1.65 C ATOM 69 NH1 ARG A 21 -6.518 12.655 -2.451 1.00 2.20 N ATOM 70 NH2 ARG A 21 -8.259 11.765 -1.343 1.00 2.43 N ATOM 0 H ARG A 21 -3.906 9.303 0.861 1.00 0.52 H new ATOM 0 HA ARG A 21 -4.411 11.384 2.909 1.00 0.60 H new ATOM 0 HB2 ARG A 21 -6.100 9.192 1.547 1.00 0.65 H new ATOM 0 HB3 ARG A 21 -6.772 10.451 2.563 1.00 0.65 H new ATOM 0 HG2 ARG A 21 -7.034 11.448 0.466 1.00 0.69 H new ATOM 0 HG3 ARG A 21 -5.456 12.076 0.897 1.00 0.69 H new ATOM 0 HD2 ARG A 21 -4.438 10.894 -0.792 1.00 1.11 H new ATOM 0 HD3 ARG A 21 -5.200 9.398 -0.291 1.00 1.11 H new ATOM 0 HE ARG A 21 -6.527 9.790 -2.266 1.00 1.21 H new ATOM 0 HH11 ARG A 21 -5.570 12.570 -2.818 1.00 2.20 H new ATOM 0 HH12 ARG A 21 -7.044 13.517 -2.591 1.00 2.20 H new ATOM 0 HH21 ARG A 21 -8.677 10.982 -0.841 1.00 2.43 H new ATOM 0 HH22 ARG A 21 -8.791 12.625 -1.480 1.00 2.43 H new ATOM 84 N MET A 22 -4.053 8.312 3.760 1.00 0.54 N ATOM 85 CA MET A 22 -4.065 7.396 4.933 1.00 0.55 C ATOM 86 C MET A 22 -2.658 7.224 5.515 1.00 0.55 C ATOM 87 O MET A 22 -1.684 7.052 4.796 1.00 0.55 O ATOM 88 CB MET A 22 -4.597 6.071 4.380 1.00 0.52 C ATOM 89 CG MET A 22 -6.013 6.279 3.836 1.00 0.56 C ATOM 90 SD MET A 22 -6.858 4.686 3.732 1.00 0.54 S ATOM 91 CE MET A 22 -7.122 4.693 1.944 1.00 0.43 C ATOM 0 H MET A 22 -3.577 7.953 2.933 1.00 0.54 H new ATOM 0 HA MET A 22 -4.678 7.780 5.748 1.00 0.55 H new ATOM 0 HB2 MET A 22 -3.942 5.705 3.589 1.00 0.52 H new ATOM 0 HB3 MET A 22 -4.604 5.314 5.164 1.00 0.52 H new ATOM 0 HG2 MET A 22 -6.568 6.955 4.486 1.00 0.56 H new ATOM 0 HG3 MET A 22 -5.971 6.745 2.852 1.00 0.56 H new ATOM 0 HE1 MET A 22 -8.058 4.185 1.712 1.00 0.43 H new ATOM 0 HE2 MET A 22 -7.170 5.722 1.587 1.00 0.43 H new ATOM 0 HE3 MET A 22 -6.297 4.177 1.452 1.00 0.43 H new ATOM 101 N GLU A 23 -2.559 7.262 6.820 1.00 0.68 N ATOM 102 CA GLU A 23 -1.239 7.094 7.495 1.00 0.69 C ATOM 103 C GLU A 23 -0.552 5.803 7.020 1.00 0.65 C ATOM 104 O GLU A 23 0.646 5.760 6.869 1.00 0.76 O ATOM 105 CB GLU A 23 -1.579 7.023 8.988 1.00 0.77 C ATOM 106 CG GLU A 23 -0.338 6.611 9.787 1.00 0.89 C ATOM 107 CD GLU A 23 -0.406 7.193 11.202 1.00 1.23 C ATOM 108 OE1 GLU A 23 -1.435 7.042 11.840 1.00 1.81 O ATOM 109 OE2 GLU A 23 0.581 7.770 11.624 1.00 1.76 O ATOM 0 H GLU A 23 -3.347 7.404 7.452 1.00 0.68 H new ATOM 0 HA GLU A 23 -0.547 7.906 7.272 1.00 0.69 H new ATOM 0 HB2 GLU A 23 -1.940 7.992 9.334 1.00 0.77 H new ATOM 0 HB3 GLU A 23 -2.383 6.306 9.153 1.00 0.77 H new ATOM 0 HG2 GLU A 23 -0.271 5.524 9.835 1.00 0.89 H new ATOM 0 HG3 GLU A 23 0.562 6.964 9.283 1.00 0.89 H new ATOM 116 N LYS A 24 -1.303 4.754 6.771 1.00 0.60 N ATOM 117 CA LYS A 24 -0.672 3.479 6.296 1.00 0.57 C ATOM 118 C LYS A 24 0.135 3.715 5.005 1.00 0.50 C ATOM 119 O LYS A 24 1.237 3.225 4.866 1.00 0.49 O ATOM 120 CB LYS A 24 -1.834 2.495 6.067 1.00 0.58 C ATOM 121 CG LYS A 24 -2.765 2.999 4.953 1.00 0.80 C ATOM 122 CD LYS A 24 -3.747 1.891 4.563 1.00 1.22 C ATOM 123 CE LYS A 24 -5.093 2.109 5.261 1.00 0.97 C ATOM 124 NZ LYS A 24 -5.158 1.052 6.313 1.00 1.16 N ATOM 0 H LYS A 24 -2.317 4.725 6.875 1.00 0.60 H new ATOM 0 HA LYS A 24 0.036 3.083 7.024 1.00 0.57 H new ATOM 0 HB2 LYS A 24 -1.439 1.515 5.801 1.00 0.58 H new ATOM 0 HB3 LYS A 24 -2.399 2.371 6.991 1.00 0.58 H new ATOM 0 HG2 LYS A 24 -3.311 3.880 5.292 1.00 0.80 H new ATOM 0 HG3 LYS A 24 -2.179 3.302 4.085 1.00 0.80 H new ATOM 0 HD2 LYS A 24 -3.887 1.882 3.482 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -3.339 0.919 4.839 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -5.154 3.106 5.698 1.00 0.97 H new ATOM 0 HE3 LYS A 24 -5.921 2.018 4.558 1.00 0.97 H new ATOM 0 HZ1 LYS A 24 -6.053 1.136 6.835 1.00 1.16 H new ATOM 0 HZ2 LYS A 24 -5.105 0.114 5.867 1.00 1.16 H new ATOM 0 HZ3 LYS A 24 -4.361 1.168 6.971 1.00 1.16 H new ATOM 138 N LEU A 25 -0.390 4.478 4.072 1.00 0.47 N ATOM 139 CA LEU A 25 0.369 4.747 2.807 1.00 0.42 C ATOM 140 C LEU A 25 1.526 5.706 3.095 1.00 0.43 C ATOM 141 O LEU A 25 2.638 5.494 2.657 1.00 0.43 O ATOM 142 CB LEU A 25 -0.626 5.401 1.843 1.00 0.42 C ATOM 143 CG LEU A 25 -1.846 4.503 1.605 1.00 0.40 C ATOM 144 CD1 LEU A 25 -2.568 4.980 0.356 1.00 0.41 C ATOM 145 CD2 LEU A 25 -1.423 3.054 1.381 1.00 0.39 C ATOM 0 H LEU A 25 -1.306 4.923 4.132 1.00 0.47 H new ATOM 0 HA LEU A 25 0.787 3.833 2.386 1.00 0.42 H new ATOM 0 HB2 LEU A 25 -0.951 6.359 2.248 1.00 0.42 H new ATOM 0 HB3 LEU A 25 -0.133 5.607 0.893 1.00 0.42 H new ATOM 0 HG LEU A 25 -2.491 4.557 2.482 1.00 0.40 H new ATOM 0 HD11 LEU A 25 -3.438 4.349 0.176 1.00 0.41 H new ATOM 0 HD12 LEU A 25 -2.890 6.012 0.494 1.00 0.41 H new ATOM 0 HD13 LEU A 25 -1.894 4.921 -0.499 1.00 0.41 H new ATOM 0 HD21 LEU A 25 -2.307 2.438 1.215 1.00 0.39 H new ATOM 0 HD22 LEU A 25 -0.771 2.996 0.509 1.00 0.39 H new ATOM 0 HD23 LEU A 25 -0.888 2.691 2.259 1.00 0.39 H new ATOM 157 N ASN A 26 1.274 6.753 3.841 1.00 0.49 N ATOM 158 CA ASN A 26 2.371 7.712 4.174 1.00 0.52 C ATOM 159 C ASN A 26 3.451 6.973 4.965 1.00 0.53 C ATOM 160 O ASN A 26 4.610 7.007 4.617 1.00 0.61 O ATOM 161 CB ASN A 26 1.720 8.808 5.022 1.00 0.61 C ATOM 162 CG ASN A 26 0.762 9.620 4.153 1.00 0.60 C ATOM 163 OD1 ASN A 26 1.126 10.088 3.092 1.00 0.89 O ATOM 164 ND2 ASN A 26 -0.461 9.805 4.555 1.00 0.62 N ATOM 0 H ASN A 26 0.361 6.984 4.232 1.00 0.49 H new ATOM 0 HA ASN A 26 2.843 8.139 3.289 1.00 0.52 H new ATOM 0 HB2 ASN A 26 1.181 8.364 5.859 1.00 0.61 H new ATOM 0 HB3 ASN A 26 2.485 9.459 5.445 1.00 0.61 H new ATOM 0 HD21 ASN A 26 -1.111 10.341 3.980 1.00 0.62 H new ATOM 0 HD22 ASN A 26 -0.770 9.414 5.445 1.00 0.62 H new ATOM 171 N GLN A 27 3.064 6.275 6.008 1.00 0.60 N ATOM 172 CA GLN A 27 4.056 5.496 6.808 1.00 0.63 C ATOM 173 C GLN A 27 4.785 4.507 5.882 1.00 0.58 C ATOM 174 O GLN A 27 5.991 4.396 5.916 1.00 0.61 O ATOM 175 CB GLN A 27 3.237 4.759 7.878 1.00 0.70 C ATOM 176 CG GLN A 27 2.846 5.742 8.995 1.00 0.81 C ATOM 177 CD GLN A 27 2.824 5.033 10.357 1.00 1.00 C ATOM 178 OE1 GLN A 27 3.245 3.906 10.480 1.00 1.58 O ATOM 179 NE2 GLN A 27 2.349 5.654 11.396 1.00 1.41 N ATOM 0 H GLN A 27 2.101 6.213 6.338 1.00 0.60 H new ATOM 0 HA GLN A 27 4.815 6.127 7.271 1.00 0.63 H new ATOM 0 HB2 GLN A 27 2.342 4.326 7.431 1.00 0.70 H new ATOM 0 HB3 GLN A 27 3.818 3.935 8.292 1.00 0.70 H new ATOM 0 HG2 GLN A 27 3.554 6.570 9.022 1.00 0.81 H new ATOM 0 HG3 GLN A 27 1.865 6.168 8.785 1.00 0.81 H new ATOM 0 HE21 GLN A 27 1.992 6.605 11.303 1.00 1.41 H new ATOM 0 HE22 GLN A 27 2.334 5.190 12.304 1.00 1.41 H new ATOM 188 N LEU A 28 4.060 3.814 5.029 1.00 0.51 N ATOM 189 CA LEU A 28 4.724 2.859 4.079 1.00 0.49 C ATOM 190 C LEU A 28 5.676 3.632 3.163 1.00 0.45 C ATOM 191 O LEU A 28 6.844 3.305 3.033 1.00 0.59 O ATOM 192 CB LEU A 28 3.588 2.243 3.248 1.00 0.46 C ATOM 193 CG LEU A 28 3.505 0.738 3.501 1.00 0.55 C ATOM 194 CD1 LEU A 28 2.280 0.432 4.365 1.00 1.37 C ATOM 195 CD2 LEU A 28 3.370 0.011 2.163 1.00 1.13 C ATOM 0 H LEU A 28 3.044 3.868 4.950 1.00 0.51 H new ATOM 0 HA LEU A 28 5.301 2.096 4.602 1.00 0.49 H new ATOM 0 HB2 LEU A 28 2.641 2.715 3.507 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.759 2.432 2.188 1.00 0.46 H new ATOM 0 HG LEU A 28 4.406 0.404 4.015 1.00 0.55 H new ATOM 0 HD11 LEU A 28 2.221 -0.641 4.545 1.00 1.37 H new ATOM 0 HD12 LEU A 28 2.366 0.956 5.317 1.00 1.37 H new ATOM 0 HD13 LEU A 28 1.379 0.763 3.849 1.00 1.37 H new ATOM 0 HD21 LEU A 28 3.310 -1.063 2.337 1.00 1.13 H new ATOM 0 HD22 LEU A 28 2.466 0.347 1.656 1.00 1.13 H new ATOM 0 HD23 LEU A 28 4.238 0.230 1.541 1.00 1.13 H new ATOM 207 N TRP A 29 5.177 4.663 2.537 1.00 0.37 N ATOM 208 CA TRP A 29 6.019 5.485 1.628 1.00 0.33 C ATOM 209 C TRP A 29 7.222 6.062 2.394 1.00 0.38 C ATOM 210 O TRP A 29 8.368 5.827 2.039 1.00 0.39 O ATOM 211 CB TRP A 29 5.058 6.576 1.166 1.00 0.30 C ATOM 212 CG TRP A 29 5.760 7.539 0.283 1.00 0.29 C ATOM 213 CD1 TRP A 29 5.708 8.874 0.423 1.00 0.35 C ATOM 214 CD2 TRP A 29 6.598 7.276 -0.876 1.00 0.26 C ATOM 215 NE1 TRP A 29 6.478 9.449 -0.566 1.00 0.34 N ATOM 216 CE2 TRP A 29 7.040 8.509 -1.393 1.00 0.29 C ATOM 217 CE3 TRP A 29 7.015 6.101 -1.518 1.00 0.24 C ATOM 218 CZ2 TRP A 29 7.866 8.582 -2.510 1.00 0.29 C ATOM 219 CZ3 TRP A 29 7.843 6.169 -2.646 1.00 0.26 C ATOM 220 CH2 TRP A 29 8.268 7.407 -3.141 1.00 0.27 C ATOM 0 H TRP A 29 4.209 4.973 2.619 1.00 0.37 H new ATOM 0 HA TRP A 29 6.447 4.929 0.794 1.00 0.33 H new ATOM 0 HB2 TRP A 29 4.218 6.129 0.634 1.00 0.30 H new ATOM 0 HB3 TRP A 29 4.646 7.098 2.030 1.00 0.30 H new ATOM 0 HD1 TRP A 29 5.156 9.407 1.183 1.00 0.35 H new ATOM 0 HE1 TRP A 29 6.614 10.454 -0.671 1.00 0.34 H new ATOM 0 HE3 TRP A 29 6.697 5.140 -1.141 1.00 0.24 H new ATOM 0 HZ2 TRP A 29 8.193 9.541 -2.885 1.00 0.29 H new ATOM 0 HZ3 TRP A 29 8.156 5.259 -3.137 1.00 0.26 H new ATOM 0 HH2 TRP A 29 8.907 7.451 -4.011 1.00 0.27 H new ATOM 231 N GLU A 30 6.969 6.796 3.449 1.00 0.44 N ATOM 232 CA GLU A 30 8.080 7.375 4.259 1.00 0.51 C ATOM 233 C GLU A 30 9.008 6.253 4.753 1.00 0.54 C ATOM 234 O GLU A 30 10.220 6.398 4.748 1.00 0.58 O ATOM 235 CB GLU A 30 7.398 8.093 5.431 1.00 0.58 C ATOM 236 CG GLU A 30 6.799 9.422 4.944 1.00 1.42 C ATOM 237 CD GLU A 30 6.121 10.148 6.107 1.00 2.17 C ATOM 238 OE1 GLU A 30 6.801 10.893 6.793 1.00 2.61 O ATOM 239 OE2 GLU A 30 4.932 9.948 6.290 1.00 2.83 O ATOM 0 H GLU A 30 6.032 7.019 3.785 1.00 0.44 H new ATOM 0 HA GLU A 30 8.700 8.063 3.685 1.00 0.51 H new ATOM 0 HB2 GLU A 30 6.615 7.462 5.851 1.00 0.58 H new ATOM 0 HB3 GLU A 30 8.120 8.278 6.227 1.00 0.58 H new ATOM 0 HG2 GLU A 30 7.583 10.050 4.520 1.00 1.42 H new ATOM 0 HG3 GLU A 30 6.076 9.235 4.150 1.00 1.42 H new ATOM 246 N LYS A 31 8.466 5.117 5.152 1.00 0.54 N ATOM 247 CA LYS A 31 9.359 4.001 5.598 1.00 0.60 C ATOM 248 C LYS A 31 10.225 3.571 4.410 1.00 0.56 C ATOM 249 O LYS A 31 11.425 3.418 4.534 1.00 0.60 O ATOM 250 CB LYS A 31 8.440 2.865 6.061 1.00 0.65 C ATOM 251 CG LYS A 31 9.197 1.972 7.048 1.00 0.97 C ATOM 252 CD LYS A 31 8.219 1.003 7.723 1.00 0.91 C ATOM 253 CE LYS A 31 8.614 -0.434 7.378 1.00 1.54 C ATOM 254 NZ LYS A 31 7.752 -1.303 8.232 1.00 2.17 N ATOM 0 H LYS A 31 7.465 4.922 5.186 1.00 0.54 H new ATOM 0 HA LYS A 31 10.024 4.292 6.411 1.00 0.60 H new ATOM 0 HB2 LYS A 31 7.547 3.274 6.534 1.00 0.65 H new ATOM 0 HB3 LYS A 31 8.107 2.279 5.204 1.00 0.65 H new ATOM 0 HG2 LYS A 31 9.975 1.414 6.526 1.00 0.97 H new ATOM 0 HG3 LYS A 31 9.694 2.585 7.800 1.00 0.97 H new ATOM 0 HD2 LYS A 31 8.233 1.147 8.803 1.00 0.91 H new ATOM 0 HD3 LYS A 31 7.201 1.203 7.388 1.00 0.91 H new ATOM 0 HE2 LYS A 31 8.454 -0.641 6.320 1.00 1.54 H new ATOM 0 HE3 LYS A 31 9.671 -0.610 7.581 1.00 1.54 H new ATOM 0 HZ1 LYS A 31 7.899 -2.299 7.973 1.00 2.17 H new ATOM 0 HZ2 LYS A 31 8.002 -1.165 9.232 1.00 2.17 H new ATOM 0 HZ3 LYS A 31 6.753 -1.051 8.087 1.00 2.17 H new ATOM 268 N ALA A 32 9.626 3.414 3.246 1.00 0.49 N ATOM 269 CA ALA A 32 10.421 3.043 2.036 1.00 0.48 C ATOM 270 C ALA A 32 11.602 4.009 1.919 1.00 0.49 C ATOM 271 O ALA A 32 12.738 3.602 1.746 1.00 0.53 O ATOM 272 CB ALA A 32 9.468 3.206 0.852 1.00 0.43 C ATOM 0 H ALA A 32 8.625 3.528 3.088 1.00 0.49 H new ATOM 0 HA ALA A 32 10.816 2.028 2.079 1.00 0.48 H new ATOM 0 HB1 ALA A 32 9.988 2.949 -0.071 1.00 0.43 H new ATOM 0 HB2 ALA A 32 8.611 2.546 0.981 1.00 0.43 H new ATOM 0 HB3 ALA A 32 9.125 4.239 0.800 1.00 0.43 H new ATOM 278 N GLN A 33 11.335 5.289 2.070 1.00 0.48 N ATOM 279 CA GLN A 33 12.436 6.302 2.033 1.00 0.52 C ATOM 280 C GLN A 33 13.447 5.952 3.140 1.00 0.60 C ATOM 281 O GLN A 33 14.643 5.910 2.920 1.00 0.66 O ATOM 282 CB GLN A 33 11.765 7.654 2.330 1.00 0.52 C ATOM 283 CG GLN A 33 10.838 8.065 1.174 1.00 0.46 C ATOM 284 CD GLN A 33 9.943 9.223 1.622 1.00 0.48 C ATOM 285 OE1 GLN A 33 10.413 10.215 2.137 1.00 0.60 O ATOM 286 NE2 GLN A 33 8.663 9.138 1.434 1.00 0.47 N ATOM 0 H GLN A 33 10.401 5.672 2.217 1.00 0.48 H new ATOM 0 HA GLN A 33 12.961 6.328 1.078 1.00 0.52 H new ATOM 0 HB2 GLN A 33 11.193 7.586 3.255 1.00 0.52 H new ATOM 0 HB3 GLN A 33 12.527 8.419 2.481 1.00 0.52 H new ATOM 0 HG2 GLN A 33 11.429 8.363 0.308 1.00 0.46 H new ATOM 0 HG3 GLN A 33 10.226 7.217 0.866 1.00 0.46 H new ATOM 0 HE21 GLN A 33 8.265 8.304 1.001 1.00 0.47 H new ATOM 0 HE22 GLN A 33 8.054 9.905 1.719 1.00 0.47 H new ATOM 295 N ARG A 34 12.952 5.670 4.325 1.00 0.63 N ATOM 296 CA ARG A 34 13.840 5.287 5.472 1.00 0.72 C ATOM 297 C ARG A 34 14.727 4.085 5.098 1.00 0.72 C ATOM 298 O ARG A 34 15.865 4.000 5.508 1.00 0.79 O ATOM 299 CB ARG A 34 12.873 4.910 6.596 1.00 0.78 C ATOM 300 CG ARG A 34 13.445 5.350 7.941 1.00 1.17 C ATOM 301 CD ARG A 34 12.299 5.539 8.934 1.00 2.03 C ATOM 302 NE ARG A 34 12.969 5.773 10.243 1.00 2.56 N ATOM 303 CZ ARG A 34 12.686 6.825 10.945 1.00 3.20 C ATOM 304 NH1 ARG A 34 11.625 6.840 11.688 1.00 3.64 N ATOM 305 NH2 ARG A 34 13.466 7.859 10.900 1.00 3.86 N ATOM 0 H ARG A 34 11.957 5.690 4.548 1.00 0.63 H new ATOM 0 HA ARG A 34 14.517 6.093 5.757 1.00 0.72 H new ATOM 0 HB2 ARG A 34 11.906 5.384 6.430 1.00 0.78 H new ATOM 0 HB3 ARG A 34 12.705 3.833 6.597 1.00 0.78 H new ATOM 0 HG2 ARG A 34 14.146 4.603 8.314 1.00 1.17 H new ATOM 0 HG3 ARG A 34 14.001 6.281 7.827 1.00 1.17 H new ATOM 0 HD2 ARG A 34 11.668 6.383 8.655 1.00 2.03 H new ATOM 0 HD3 ARG A 34 11.656 4.659 8.970 1.00 2.03 H new ATOM 0 HE ARG A 34 13.654 5.102 10.589 1.00 2.56 H new ATOM 0 HH11 ARG A 34 11.013 6.024 11.720 1.00 3.64 H new ATOM 0 HH12 ARG A 34 11.401 7.667 12.241 1.00 3.64 H new ATOM 0 HH21 ARG A 34 14.300 7.843 10.313 1.00 3.86 H new ATOM 0 HH22 ARG A 34 13.246 8.688 11.451 1.00 3.86 H new ATOM 319 N LEU A 35 14.213 3.162 4.316 1.00 0.68 N ATOM 320 CA LEU A 35 15.026 1.971 3.899 1.00 0.73 C ATOM 321 C LEU A 35 16.088 2.353 2.856 1.00 0.74 C ATOM 322 O LEU A 35 16.810 1.505 2.371 1.00 0.87 O ATOM 323 CB LEU A 35 14.021 1.009 3.269 1.00 0.73 C ATOM 324 CG LEU A 35 13.569 0.004 4.314 1.00 0.92 C ATOM 325 CD1 LEU A 35 12.348 0.557 5.042 1.00 1.05 C ATOM 326 CD2 LEU A 35 13.214 -1.315 3.627 1.00 1.52 C ATOM 0 H LEU A 35 13.262 3.182 3.947 1.00 0.68 H new ATOM 0 HA LEU A 35 15.557 1.541 4.748 1.00 0.73 H new ATOM 0 HB2 LEU A 35 13.164 1.561 2.883 1.00 0.73 H new ATOM 0 HB3 LEU A 35 14.475 0.493 2.423 1.00 0.73 H new ATOM 0 HG LEU A 35 14.369 -0.172 5.033 1.00 0.92 H new ATOM 0 HD11 LEU A 35 12.018 -0.159 5.794 1.00 1.05 H new ATOM 0 HD12 LEU A 35 12.609 1.498 5.527 1.00 1.05 H new ATOM 0 HD13 LEU A 35 11.544 0.728 4.326 1.00 1.05 H new ATOM 0 HD21 LEU A 35 12.889 -2.039 4.375 1.00 1.52 H new ATOM 0 HD22 LEU A 35 12.410 -1.147 2.911 1.00 1.52 H new ATOM 0 HD23 LEU A 35 14.090 -1.701 3.105 1.00 1.52 H new ATOM 338 N HIS A 36 16.171 3.612 2.500 1.00 0.70 N ATOM 339 CA HIS A 36 17.168 4.070 1.478 1.00 0.75 C ATOM 340 C HIS A 36 16.857 3.452 0.106 1.00 0.68 C ATOM 341 O HIS A 36 17.754 3.107 -0.642 1.00 0.75 O ATOM 342 CB HIS A 36 18.549 3.608 1.979 1.00 0.92 C ATOM 343 CG HIS A 36 18.853 4.223 3.319 1.00 1.26 C ATOM 344 ND1 HIS A 36 19.617 5.371 3.451 1.00 1.99 N ATOM 345 CD2 HIS A 36 18.513 3.850 4.593 1.00 1.36 C ATOM 346 CE1 HIS A 36 19.712 5.645 4.766 1.00 2.41 C ATOM 347 NE2 HIS A 36 19.056 4.748 5.506 1.00 1.98 N ATOM 0 H HIS A 36 15.582 4.353 2.879 1.00 0.70 H new ATOM 0 HA HIS A 36 17.136 5.153 1.355 1.00 0.75 H new ATOM 0 HB2 HIS A 36 18.570 2.521 2.057 1.00 0.92 H new ATOM 0 HB3 HIS A 36 19.317 3.890 1.259 1.00 0.92 H new ATOM 0 HD2 HIS A 36 17.914 2.989 4.849 1.00 1.36 H new ATOM 0 HE1 HIS A 36 20.253 6.487 5.172 1.00 2.41 H new ATOM 0 HE2 HIS A 36 18.971 4.726 6.522 1.00 1.98 H new ATOM 355 N LEU A 37 15.596 3.318 -0.246 1.00 0.60 N ATOM 356 CA LEU A 37 15.260 2.735 -1.582 1.00 0.57 C ATOM 357 C LEU A 37 15.756 3.673 -2.694 1.00 0.55 C ATOM 358 O LEU A 37 15.820 4.871 -2.502 1.00 0.54 O ATOM 359 CB LEU A 37 13.727 2.656 -1.628 1.00 0.52 C ATOM 360 CG LEU A 37 13.203 1.507 -0.760 1.00 0.54 C ATOM 361 CD1 LEU A 37 11.679 1.543 -0.774 1.00 0.52 C ATOM 362 CD2 LEU A 37 13.658 0.163 -1.324 1.00 0.61 C ATOM 0 H LEU A 37 14.796 3.585 0.329 1.00 0.60 H new ATOM 0 HA LEU A 37 15.724 1.759 -1.726 1.00 0.57 H new ATOM 0 HB2 LEU A 37 13.302 3.598 -1.283 1.00 0.52 H new ATOM 0 HB3 LEU A 37 13.399 2.516 -2.658 1.00 0.52 H new ATOM 0 HG LEU A 37 13.589 1.621 0.253 1.00 0.54 H new ATOM 0 HD11 LEU A 37 11.290 0.731 -0.160 1.00 0.52 H new ATOM 0 HD12 LEU A 37 11.334 2.497 -0.375 1.00 0.52 H new ATOM 0 HD13 LEU A 37 11.322 1.428 -1.797 1.00 0.52 H new ATOM 0 HD21 LEU A 37 13.278 -0.643 -0.696 1.00 0.61 H new ATOM 0 HD22 LEU A 37 13.275 0.045 -2.337 1.00 0.61 H new ATOM 0 HD23 LEU A 37 14.747 0.126 -1.342 1.00 0.61 H new ATOM 374 N PRO A 38 16.058 3.110 -3.837 1.00 0.59 N ATOM 375 CA PRO A 38 16.507 3.938 -4.979 1.00 0.59 C ATOM 376 C PRO A 38 15.300 4.713 -5.527 1.00 0.53 C ATOM 377 O PRO A 38 14.165 4.370 -5.236 1.00 0.48 O ATOM 378 CB PRO A 38 17.030 2.915 -5.986 1.00 0.67 C ATOM 379 CG PRO A 38 16.323 1.643 -5.649 1.00 0.70 C ATOM 380 CD PRO A 38 16.010 1.687 -4.174 1.00 0.68 C ATOM 0 HA PRO A 38 17.269 4.677 -4.730 1.00 0.59 H new ATOM 0 HB2 PRO A 38 16.818 3.225 -7.009 1.00 0.67 H new ATOM 0 HB3 PRO A 38 18.111 2.799 -5.905 1.00 0.67 H new ATOM 0 HG2 PRO A 38 15.409 1.544 -6.234 1.00 0.70 H new ATOM 0 HG3 PRO A 38 16.947 0.781 -5.885 1.00 0.70 H new ATOM 0 HD2 PRO A 38 15.029 1.261 -3.963 1.00 0.68 H new ATOM 0 HD3 PRO A 38 16.737 1.116 -3.596 1.00 0.68 H new ATOM 388 N PRO A 39 15.565 5.733 -6.299 1.00 0.57 N ATOM 389 CA PRO A 39 14.460 6.557 -6.859 1.00 0.55 C ATOM 390 C PRO A 39 13.514 5.707 -7.721 1.00 0.55 C ATOM 391 O PRO A 39 12.327 5.965 -7.780 1.00 0.57 O ATOM 392 CB PRO A 39 15.194 7.631 -7.663 1.00 0.61 C ATOM 393 CG PRO A 39 16.528 7.028 -7.963 1.00 0.67 C ATOM 394 CD PRO A 39 16.879 6.209 -6.750 1.00 0.66 C ATOM 0 HA PRO A 39 13.810 6.990 -6.099 1.00 0.55 H new ATOM 0 HB2 PRO A 39 14.656 7.879 -8.578 1.00 0.61 H new ATOM 0 HB3 PRO A 39 15.295 8.554 -7.092 1.00 0.61 H new ATOM 0 HG2 PRO A 39 16.486 6.407 -8.858 1.00 0.67 H new ATOM 0 HG3 PRO A 39 17.276 7.800 -8.146 1.00 0.67 H new ATOM 0 HD2 PRO A 39 17.547 5.384 -6.997 1.00 0.66 H new ATOM 0 HD3 PRO A 39 17.378 6.806 -5.987 1.00 0.66 H new ATOM 402 N VAL A 40 14.014 4.678 -8.363 1.00 0.62 N ATOM 403 CA VAL A 40 13.112 3.814 -9.189 1.00 0.65 C ATOM 404 C VAL A 40 12.139 3.041 -8.287 1.00 0.59 C ATOM 405 O VAL A 40 10.943 3.024 -8.526 1.00 0.58 O ATOM 406 CB VAL A 40 14.031 2.854 -9.961 1.00 0.74 C ATOM 407 CG1 VAL A 40 14.578 1.754 -9.041 1.00 0.73 C ATOM 408 CG2 VAL A 40 13.228 2.210 -11.091 1.00 0.82 C ATOM 0 H VAL A 40 14.996 4.401 -8.352 1.00 0.62 H new ATOM 0 HA VAL A 40 12.503 4.406 -9.873 1.00 0.65 H new ATOM 0 HB VAL A 40 14.874 3.418 -10.359 1.00 0.74 H new ATOM 0 HG11 VAL A 40 15.225 1.089 -9.613 1.00 0.73 H new ATOM 0 HG12 VAL A 40 15.149 2.208 -8.231 1.00 0.73 H new ATOM 0 HG13 VAL A 40 13.749 1.183 -8.624 1.00 0.73 H new ATOM 0 HG21 VAL A 40 13.868 1.526 -11.648 1.00 0.82 H new ATOM 0 HG22 VAL A 40 12.386 1.659 -10.671 1.00 0.82 H new ATOM 0 HG23 VAL A 40 12.856 2.985 -11.761 1.00 0.82 H new ATOM 418 N ARG A 41 12.635 2.414 -7.242 1.00 0.58 N ATOM 419 CA ARG A 41 11.736 1.659 -6.331 1.00 0.56 C ATOM 420 C ARG A 41 10.804 2.630 -5.629 1.00 0.45 C ATOM 421 O ARG A 41 9.651 2.335 -5.414 1.00 0.43 O ATOM 422 CB ARG A 41 12.660 0.958 -5.342 1.00 0.64 C ATOM 423 CG ARG A 41 12.606 -0.543 -5.618 1.00 0.79 C ATOM 424 CD ARG A 41 12.891 -1.326 -4.340 1.00 0.79 C ATOM 425 NE ARG A 41 14.328 -1.079 -4.028 1.00 1.25 N ATOM 426 CZ ARG A 41 15.244 -1.924 -4.402 1.00 1.76 C ATOM 427 NH1 ARG A 41 15.656 -1.924 -5.630 1.00 2.49 N ATOM 428 NH2 ARG A 41 15.749 -2.757 -3.544 1.00 2.07 N ATOM 0 H ARG A 41 13.623 2.398 -6.988 1.00 0.58 H new ATOM 0 HA ARG A 41 11.109 0.937 -6.854 1.00 0.56 H new ATOM 0 HB2 ARG A 41 13.680 1.327 -5.448 1.00 0.64 H new ATOM 0 HB3 ARG A 41 12.350 1.167 -4.318 1.00 0.64 H new ATOM 0 HG2 ARG A 41 11.624 -0.813 -6.007 1.00 0.79 H new ATOM 0 HG3 ARG A 41 13.336 -0.805 -6.384 1.00 0.79 H new ATOM 0 HD2 ARG A 41 12.250 -0.991 -3.524 1.00 0.79 H new ATOM 0 HD3 ARG A 41 12.698 -2.389 -4.481 1.00 0.79 H new ATOM 0 HE ARG A 41 14.596 -0.239 -3.516 1.00 1.25 H new ATOM 0 HH11 ARG A 41 15.263 -1.263 -6.300 1.00 2.49 H new ATOM 0 HH12 ARG A 41 16.374 -2.585 -5.927 1.00 2.49 H new ATOM 0 HH21 ARG A 41 15.428 -2.749 -2.576 1.00 2.07 H new ATOM 0 HH22 ARG A 41 16.467 -3.419 -3.838 1.00 2.07 H new ATOM 442 N LEU A 42 11.286 3.799 -5.303 1.00 0.41 N ATOM 443 CA LEU A 42 10.403 4.804 -4.654 1.00 0.33 C ATOM 444 C LEU A 42 9.363 5.281 -5.681 1.00 0.33 C ATOM 445 O LEU A 42 8.202 5.447 -5.365 1.00 0.29 O ATOM 446 CB LEU A 42 11.330 5.942 -4.231 1.00 0.35 C ATOM 447 CG LEU A 42 12.210 5.470 -3.073 1.00 0.37 C ATOM 448 CD1 LEU A 42 13.467 6.332 -3.022 1.00 0.43 C ATOM 449 CD2 LEU A 42 11.438 5.605 -1.755 1.00 0.37 C ATOM 0 H LEU A 42 12.249 4.098 -5.458 1.00 0.41 H new ATOM 0 HA LEU A 42 9.859 4.410 -3.795 1.00 0.33 H new ATOM 0 HB2 LEU A 42 11.950 6.253 -5.071 1.00 0.35 H new ATOM 0 HB3 LEU A 42 10.745 6.810 -3.928 1.00 0.35 H new ATOM 0 HG LEU A 42 12.486 4.426 -3.220 1.00 0.37 H new ATOM 0 HD11 LEU A 42 14.101 6.003 -2.199 1.00 0.43 H new ATOM 0 HD12 LEU A 42 14.012 6.236 -3.961 1.00 0.43 H new ATOM 0 HD13 LEU A 42 13.187 7.374 -2.870 1.00 0.43 H new ATOM 0 HD21 LEU A 42 12.065 5.268 -0.930 1.00 0.37 H new ATOM 0 HD22 LEU A 42 11.163 6.648 -1.600 1.00 0.37 H new ATOM 0 HD23 LEU A 42 10.536 4.994 -1.797 1.00 0.37 H new ATOM 461 N ALA A 43 9.764 5.462 -6.923 1.00 0.40 N ATOM 462 CA ALA A 43 8.781 5.887 -7.970 1.00 0.45 C ATOM 463 C ALA A 43 7.767 4.756 -8.177 1.00 0.46 C ATOM 464 O ALA A 43 6.568 4.953 -8.059 1.00 0.45 O ATOM 465 CB ALA A 43 9.607 6.124 -9.236 1.00 0.52 C ATOM 0 H ALA A 43 10.721 5.334 -7.251 1.00 0.40 H new ATOM 0 HA ALA A 43 8.227 6.785 -7.697 1.00 0.45 H new ATOM 0 HB1 ALA A 43 8.949 6.439 -10.046 1.00 0.52 H new ATOM 0 HB2 ALA A 43 10.347 6.901 -9.047 1.00 0.52 H new ATOM 0 HB3 ALA A 43 10.114 5.201 -9.518 1.00 0.52 H new ATOM 471 N GLU A 44 8.251 3.561 -8.439 1.00 0.49 N ATOM 472 CA GLU A 44 7.334 2.392 -8.604 1.00 0.51 C ATOM 473 C GLU A 44 6.483 2.263 -7.333 1.00 0.44 C ATOM 474 O GLU A 44 5.279 2.105 -7.385 1.00 0.45 O ATOM 475 CB GLU A 44 8.261 1.174 -8.748 1.00 0.57 C ATOM 476 CG GLU A 44 8.594 0.922 -10.224 1.00 0.68 C ATOM 477 CD GLU A 44 8.852 -0.572 -10.437 1.00 1.14 C ATOM 478 OE1 GLU A 44 7.887 -1.322 -10.470 1.00 1.88 O ATOM 479 OE2 GLU A 44 10.008 -0.945 -10.549 1.00 1.68 O ATOM 0 H GLU A 44 9.243 3.349 -8.545 1.00 0.49 H new ATOM 0 HA GLU A 44 6.664 2.487 -9.459 1.00 0.51 H new ATOM 0 HB2 GLU A 44 9.180 1.341 -8.185 1.00 0.57 H new ATOM 0 HB3 GLU A 44 7.782 0.293 -8.322 1.00 0.57 H new ATOM 0 HG2 GLU A 44 7.771 1.254 -10.856 1.00 0.68 H new ATOM 0 HG3 GLU A 44 9.472 1.499 -10.514 1.00 0.68 H new ATOM 486 N LEU A 45 7.121 2.356 -6.190 1.00 0.39 N ATOM 487 CA LEU A 45 6.393 2.265 -4.888 1.00 0.34 C ATOM 488 C LEU A 45 5.297 3.328 -4.834 1.00 0.29 C ATOM 489 O LEU A 45 4.152 3.023 -4.571 1.00 0.26 O ATOM 490 CB LEU A 45 7.471 2.523 -3.829 1.00 0.33 C ATOM 491 CG LEU A 45 6.850 2.735 -2.448 1.00 0.28 C ATOM 492 CD1 LEU A 45 6.203 1.439 -1.953 1.00 0.32 C ATOM 493 CD2 LEU A 45 7.953 3.140 -1.480 1.00 0.29 C ATOM 0 H LEU A 45 8.128 2.493 -6.105 1.00 0.39 H new ATOM 0 HA LEU A 45 5.902 1.304 -4.737 1.00 0.34 H new ATOM 0 HB2 LEU A 45 8.160 1.679 -3.795 1.00 0.33 H new ATOM 0 HB3 LEU A 45 8.055 3.401 -4.107 1.00 0.33 H new ATOM 0 HG LEU A 45 6.087 3.511 -2.508 1.00 0.28 H new ATOM 0 HD11 LEU A 45 5.765 1.604 -0.969 1.00 0.32 H new ATOM 0 HD12 LEU A 45 5.424 1.132 -2.650 1.00 0.32 H new ATOM 0 HD13 LEU A 45 6.959 0.657 -1.887 1.00 0.32 H new ATOM 0 HD21 LEU A 45 7.528 3.296 -0.488 1.00 0.29 H new ATOM 0 HD22 LEU A 45 8.704 2.351 -1.433 1.00 0.29 H new ATOM 0 HD23 LEU A 45 8.418 4.064 -1.824 1.00 0.29 H new ATOM 505 N HIS A 46 5.631 4.570 -5.099 1.00 0.30 N ATOM 506 CA HIS A 46 4.588 5.635 -5.077 1.00 0.28 C ATOM 507 C HIS A 46 3.420 5.228 -5.982 1.00 0.32 C ATOM 508 O HIS A 46 2.275 5.324 -5.595 1.00 0.32 O ATOM 509 CB HIS A 46 5.270 6.903 -5.595 1.00 0.32 C ATOM 510 CG HIS A 46 4.571 8.099 -5.010 1.00 0.31 C ATOM 511 ND1 HIS A 46 3.505 8.717 -5.642 1.00 0.38 N ATOM 512 CD2 HIS A 46 4.762 8.787 -3.840 1.00 0.30 C ATOM 513 CE1 HIS A 46 3.098 9.728 -4.853 1.00 0.41 C ATOM 514 NE2 HIS A 46 3.831 9.815 -3.742 1.00 0.37 N ATOM 0 H HIS A 46 6.574 4.886 -5.327 1.00 0.30 H new ATOM 0 HA HIS A 46 4.182 5.795 -4.078 1.00 0.28 H new ATOM 0 HB2 HIS A 46 6.324 6.907 -5.315 1.00 0.32 H new ATOM 0 HB3 HIS A 46 5.229 6.936 -6.684 1.00 0.32 H new ATOM 0 HD1 HIS A 46 3.102 8.454 -6.541 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.521 8.564 -3.105 1.00 0.30 H new ATOM 0 HE1 HIS A 46 2.277 10.389 -5.090 1.00 0.41 H new ATOM 522 N ALA A 47 3.702 4.746 -7.169 1.00 0.39 N ATOM 523 CA ALA A 47 2.597 4.304 -8.078 1.00 0.44 C ATOM 524 C ALA A 47 1.746 3.229 -7.381 1.00 0.41 C ATOM 525 O ALA A 47 0.527 3.318 -7.340 1.00 0.42 O ATOM 526 CB ALA A 47 3.300 3.721 -9.309 1.00 0.53 C ATOM 0 H ALA A 47 4.644 4.640 -7.546 1.00 0.39 H new ATOM 0 HA ALA A 47 1.927 5.121 -8.346 1.00 0.44 H new ATOM 0 HB1 ALA A 47 2.554 3.374 -10.024 1.00 0.53 H new ATOM 0 HB2 ALA A 47 3.918 4.490 -9.773 1.00 0.53 H new ATOM 0 HB3 ALA A 47 3.929 2.884 -9.006 1.00 0.53 H new ATOM 532 N ASP A 48 2.380 2.224 -6.823 1.00 0.40 N ATOM 533 CA ASP A 48 1.622 1.148 -6.120 1.00 0.40 C ATOM 534 C ASP A 48 0.911 1.726 -4.887 1.00 0.32 C ATOM 535 O ASP A 48 -0.206 1.353 -4.578 1.00 0.34 O ATOM 536 CB ASP A 48 2.681 0.117 -5.716 1.00 0.44 C ATOM 537 CG ASP A 48 3.136 -0.690 -6.941 1.00 0.82 C ATOM 538 OD1 ASP A 48 3.301 -0.106 -8.000 1.00 1.16 O ATOM 539 OD2 ASP A 48 3.321 -1.885 -6.792 1.00 1.71 O ATOM 0 H ASP A 48 3.393 2.106 -6.826 1.00 0.40 H new ATOM 0 HA ASP A 48 0.848 0.702 -6.745 1.00 0.40 H new ATOM 0 HB2 ASP A 48 3.536 0.622 -5.267 1.00 0.44 H new ATOM 0 HB3 ASP A 48 2.274 -0.555 -4.960 1.00 0.44 H new ATOM 544 N LEU A 49 1.532 2.656 -4.198 1.00 0.26 N ATOM 545 CA LEU A 49 0.869 3.273 -3.015 1.00 0.22 C ATOM 546 C LEU A 49 -0.279 4.147 -3.500 1.00 0.23 C ATOM 547 O LEU A 49 -1.304 4.238 -2.863 1.00 0.25 O ATOM 548 CB LEU A 49 1.938 4.122 -2.332 1.00 0.20 C ATOM 549 CG LEU A 49 3.036 3.223 -1.785 1.00 0.21 C ATOM 550 CD1 LEU A 49 4.094 4.086 -1.106 1.00 0.23 C ATOM 551 CD2 LEU A 49 2.435 2.243 -0.776 1.00 0.24 C ATOM 0 H LEU A 49 2.466 3.010 -4.407 1.00 0.26 H new ATOM 0 HA LEU A 49 0.464 2.531 -2.326 1.00 0.22 H new ATOM 0 HB2 LEU A 49 2.358 4.835 -3.042 1.00 0.20 H new ATOM 0 HB3 LEU A 49 1.493 4.702 -1.523 1.00 0.20 H new ATOM 0 HG LEU A 49 3.495 2.660 -2.598 1.00 0.21 H new ATOM 0 HD11 LEU A 49 4.885 3.448 -0.711 1.00 0.23 H new ATOM 0 HD12 LEU A 49 4.517 4.781 -1.831 1.00 0.23 H new ATOM 0 HD13 LEU A 49 3.638 4.646 -0.290 1.00 0.23 H new ATOM 0 HD21 LEU A 49 3.221 1.598 -0.383 1.00 0.24 H new ATOM 0 HD22 LEU A 49 1.978 2.799 0.043 1.00 0.24 H new ATOM 0 HD23 LEU A 49 1.677 1.633 -1.268 1.00 0.24 H new ATOM 563 N LYS A 50 -0.125 4.776 -4.638 1.00 0.27 N ATOM 564 CA LYS A 50 -1.235 5.615 -5.167 1.00 0.32 C ATOM 565 C LYS A 50 -2.377 4.688 -5.582 1.00 0.36 C ATOM 566 O LYS A 50 -3.512 4.860 -5.173 1.00 0.39 O ATOM 567 CB LYS A 50 -0.682 6.362 -6.386 1.00 0.38 C ATOM 568 CG LYS A 50 0.285 7.485 -5.964 1.00 0.39 C ATOM 569 CD LYS A 50 -0.228 8.222 -4.718 1.00 0.44 C ATOM 570 CE LYS A 50 -1.506 8.994 -5.045 1.00 0.63 C ATOM 571 NZ LYS A 50 -1.752 9.853 -3.848 1.00 1.14 N ATOM 0 H LYS A 50 0.714 4.744 -5.217 1.00 0.27 H new ATOM 0 HA LYS A 50 -1.608 6.324 -4.428 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -0.165 5.661 -7.041 1.00 0.38 H new ATOM 0 HB3 LYS A 50 -1.506 6.786 -6.960 1.00 0.38 H new ATOM 0 HG2 LYS A 50 1.269 7.063 -5.761 1.00 0.39 H new ATOM 0 HG3 LYS A 50 0.405 8.193 -6.784 1.00 0.39 H new ATOM 0 HD2 LYS A 50 -0.422 7.507 -3.919 1.00 0.44 H new ATOM 0 HD3 LYS A 50 0.536 8.908 -4.353 1.00 0.44 H new ATOM 0 HE2 LYS A 50 -1.385 9.596 -5.945 1.00 0.63 H new ATOM 0 HE3 LYS A 50 -2.342 8.317 -5.224 1.00 0.63 H new ATOM 0 HZ1 LYS A 50 -2.690 9.638 -3.453 1.00 1.14 H new ATOM 0 HZ2 LYS A 50 -1.023 9.665 -3.130 1.00 1.14 H new ATOM 0 HZ3 LYS A 50 -1.715 10.855 -4.126 1.00 1.14 H new ATOM 585 N ILE A 51 -2.073 3.677 -6.365 1.00 0.38 N ATOM 586 CA ILE A 51 -3.129 2.707 -6.767 1.00 0.43 C ATOM 587 C ILE A 51 -3.729 2.100 -5.497 1.00 0.37 C ATOM 588 O ILE A 51 -4.933 2.025 -5.343 1.00 0.39 O ATOM 589 CB ILE A 51 -2.414 1.633 -7.595 1.00 0.48 C ATOM 590 CG1 ILE A 51 -1.917 2.232 -8.920 1.00 0.55 C ATOM 591 CG2 ILE A 51 -3.384 0.484 -7.887 1.00 0.55 C ATOM 592 CD1 ILE A 51 -3.041 3.018 -9.604 1.00 0.61 C ATOM 0 H ILE A 51 -1.143 3.487 -6.738 1.00 0.38 H new ATOM 0 HA ILE A 51 -3.934 3.165 -7.342 1.00 0.43 H new ATOM 0 HB ILE A 51 -1.560 1.259 -7.031 1.00 0.48 H new ATOM 0 HG12 ILE A 51 -1.067 2.888 -8.734 1.00 0.55 H new ATOM 0 HG13 ILE A 51 -1.568 1.436 -9.578 1.00 0.55 H new ATOM 0 HG21 ILE A 51 -2.876 -0.280 -8.476 1.00 0.55 H new ATOM 0 HG22 ILE A 51 -3.727 0.050 -6.948 1.00 0.55 H new ATOM 0 HG23 ILE A 51 -4.240 0.863 -8.446 1.00 0.55 H new ATOM 0 HD11 ILE A 51 -2.674 3.436 -10.541 1.00 0.61 H new ATOM 0 HD12 ILE A 51 -3.879 2.352 -9.808 1.00 0.61 H new ATOM 0 HD13 ILE A 51 -3.370 3.826 -8.950 1.00 0.61 H new ATOM 604 N GLN A 52 -2.891 1.697 -4.568 1.00 0.32 N ATOM 605 CA GLN A 52 -3.411 1.128 -3.297 1.00 0.28 C ATOM 606 C GLN A 52 -4.227 2.193 -2.563 1.00 0.26 C ATOM 607 O GLN A 52 -5.250 1.907 -1.979 1.00 0.26 O ATOM 608 CB GLN A 52 -2.159 0.745 -2.499 1.00 0.26 C ATOM 609 CG GLN A 52 -2.555 0.058 -1.189 1.00 0.44 C ATOM 610 CD GLN A 52 -3.459 -1.140 -1.477 1.00 0.62 C ATOM 611 OE1 GLN A 52 -3.429 -1.704 -2.553 1.00 1.56 O ATOM 612 NE2 GLN A 52 -4.264 -1.557 -0.551 1.00 0.41 N ATOM 0 H GLN A 52 -1.875 1.740 -4.641 1.00 0.32 H new ATOM 0 HA GLN A 52 -4.066 0.270 -3.447 1.00 0.28 H new ATOM 0 HB2 GLN A 52 -1.531 0.080 -3.091 1.00 0.26 H new ATOM 0 HB3 GLN A 52 -1.568 1.636 -2.286 1.00 0.26 H new ATOM 0 HG2 GLN A 52 -1.662 -0.270 -0.657 1.00 0.44 H new ATOM 0 HG3 GLN A 52 -3.071 0.765 -0.540 1.00 0.44 H new ATOM 0 HE21 GLN A 52 -4.290 -1.085 0.353 1.00 0.41 H new ATOM 0 HE22 GLN A 52 -4.871 -2.358 -0.726 1.00 0.41 H new ATOM 621 N GLU A 53 -3.790 3.426 -2.612 1.00 0.28 N ATOM 622 CA GLU A 53 -4.548 4.516 -1.936 1.00 0.32 C ATOM 623 C GLU A 53 -5.927 4.654 -2.572 1.00 0.36 C ATOM 624 O GLU A 53 -6.939 4.517 -1.910 1.00 0.37 O ATOM 625 CB GLU A 53 -3.723 5.780 -2.169 1.00 0.36 C ATOM 626 CG GLU A 53 -4.305 6.928 -1.348 1.00 0.45 C ATOM 627 CD GLU A 53 -4.469 8.150 -2.246 1.00 0.70 C ATOM 628 OE1 GLU A 53 -3.495 8.866 -2.415 1.00 1.49 O ATOM 629 OE2 GLU A 53 -5.558 8.351 -2.755 1.00 1.19 O ATOM 0 H GLU A 53 -2.940 3.723 -3.092 1.00 0.28 H new ATOM 0 HA GLU A 53 -4.698 4.322 -0.874 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -2.685 5.606 -1.886 1.00 0.36 H new ATOM 0 HB3 GLU A 53 -3.726 6.039 -3.228 1.00 0.36 H new ATOM 0 HG2 GLU A 53 -5.268 6.639 -0.927 1.00 0.45 H new ATOM 0 HG3 GLU A 53 -3.648 7.162 -0.510 1.00 0.45 H new ATOM 636 N ARG A 54 -5.971 4.908 -3.858 1.00 0.42 N ATOM 637 CA ARG A 54 -7.286 5.039 -4.552 1.00 0.49 C ATOM 638 C ARG A 54 -8.124 3.783 -4.316 1.00 0.45 C ATOM 639 O ARG A 54 -9.279 3.869 -3.934 1.00 0.45 O ATOM 640 CB ARG A 54 -6.958 5.197 -6.038 1.00 0.57 C ATOM 641 CG ARG A 54 -8.241 5.540 -6.801 1.00 0.89 C ATOM 642 CD ARG A 54 -7.922 5.714 -8.287 1.00 1.27 C ATOM 643 NE ARG A 54 -7.994 4.336 -8.863 1.00 1.36 N ATOM 644 CZ ARG A 54 -7.838 4.158 -10.138 1.00 2.10 C ATOM 645 NH1 ARG A 54 -8.856 4.269 -10.933 1.00 2.89 N ATOM 646 NH2 ARG A 54 -6.665 3.875 -10.610 1.00 2.64 N ATOM 0 H ARG A 54 -5.153 5.030 -4.454 1.00 0.42 H new ATOM 0 HA ARG A 54 -7.862 5.887 -4.182 1.00 0.49 H new ATOM 0 HB2 ARG A 54 -6.216 5.983 -6.178 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -6.524 4.276 -6.427 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -8.979 4.749 -6.667 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -8.679 6.455 -6.403 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -8.637 6.381 -8.769 1.00 1.27 H new ATOM 0 HD3 ARG A 54 -6.933 6.150 -8.430 1.00 1.27 H new ATOM 0 HE ARG A 54 -8.166 3.536 -8.253 1.00 1.36 H new ATOM 0 HH11 ARG A 54 -9.776 4.496 -10.555 1.00 2.89 H new ATOM 0 HH12 ARG A 54 -8.737 4.130 -11.936 1.00 2.89 H new ATOM 0 HH21 ARG A 54 -5.868 3.793 -9.979 1.00 2.64 H new ATOM 0 HH22 ARG A 54 -6.539 3.734 -11.612 1.00 2.64 H new ATOM 660 N ASP A 55 -7.550 2.617 -4.517 1.00 0.42 N ATOM 661 CA ASP A 55 -8.322 1.363 -4.282 1.00 0.39 C ATOM 662 C ASP A 55 -8.765 1.294 -2.824 1.00 0.34 C ATOM 663 O ASP A 55 -9.861 0.883 -2.530 1.00 0.34 O ATOM 664 CB ASP A 55 -7.359 0.220 -4.597 1.00 0.39 C ATOM 665 CG ASP A 55 -7.614 -0.281 -6.015 1.00 0.48 C ATOM 666 OD1 ASP A 55 -7.095 0.327 -6.939 1.00 1.16 O ATOM 667 OD2 ASP A 55 -8.336 -1.257 -6.151 1.00 1.19 O ATOM 0 H ASP A 55 -6.588 2.485 -4.831 1.00 0.42 H new ATOM 0 HA ASP A 55 -9.218 1.314 -4.901 1.00 0.39 H new ATOM 0 HB2 ASP A 55 -6.328 0.561 -4.500 1.00 0.39 H new ATOM 0 HB3 ASP A 55 -7.495 -0.592 -3.883 1.00 0.39 H new ATOM 672 N GLU A 56 -7.920 1.691 -1.911 1.00 0.32 N ATOM 673 CA GLU A 56 -8.302 1.638 -0.470 1.00 0.31 C ATOM 674 C GLU A 56 -9.428 2.630 -0.160 1.00 0.35 C ATOM 675 O GLU A 56 -10.347 2.297 0.557 1.00 0.38 O ATOM 676 CB GLU A 56 -7.034 1.979 0.309 1.00 0.33 C ATOM 677 CG GLU A 56 -6.238 0.691 0.548 1.00 0.73 C ATOM 678 CD GLU A 56 -5.829 0.587 2.015 1.00 1.03 C ATOM 679 OE1 GLU A 56 -6.670 0.823 2.871 1.00 1.72 O ATOM 680 OE2 GLU A 56 -4.680 0.267 2.260 1.00 1.70 O ATOM 0 H GLU A 56 -6.984 2.049 -2.100 1.00 0.32 H new ATOM 0 HA GLU A 56 -8.684 0.655 -0.195 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -6.431 2.697 -0.247 1.00 0.33 H new ATOM 0 HB3 GLU A 56 -7.290 2.446 1.260 1.00 0.33 H new ATOM 0 HG2 GLU A 56 -6.840 -0.174 0.269 1.00 0.73 H new ATOM 0 HG3 GLU A 56 -5.351 0.680 -0.086 1.00 0.73 H new ATOM 687 N LEU A 57 -9.405 3.826 -0.706 1.00 0.40 N ATOM 688 CA LEU A 57 -10.535 4.768 -0.415 1.00 0.45 C ATOM 689 C LEU A 57 -11.765 4.259 -1.152 1.00 0.45 C ATOM 690 O LEU A 57 -12.827 4.101 -0.576 1.00 0.45 O ATOM 691 CB LEU A 57 -10.158 6.157 -0.953 1.00 0.53 C ATOM 692 CG LEU A 57 -8.705 6.505 -0.644 1.00 0.61 C ATOM 693 CD1 LEU A 57 -8.068 7.026 -1.924 1.00 0.73 C ATOM 694 CD2 LEU A 57 -8.644 7.594 0.430 1.00 0.75 C ATOM 0 H LEU A 57 -8.675 4.183 -1.323 1.00 0.40 H new ATOM 0 HA LEU A 57 -10.733 4.829 0.655 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -10.318 6.186 -2.031 1.00 0.53 H new ATOM 0 HB3 LEU A 57 -10.814 6.908 -0.513 1.00 0.53 H new ATOM 0 HG LEU A 57 -8.178 5.624 -0.279 1.00 0.61 H new ATOM 0 HD11 LEU A 57 -7.026 7.284 -1.733 1.00 0.73 H new ATOM 0 HD12 LEU A 57 -8.116 6.256 -2.694 1.00 0.73 H new ATOM 0 HD13 LEU A 57 -8.605 7.912 -2.263 1.00 0.73 H new ATOM 0 HD21 LEU A 57 -7.603 7.836 0.644 1.00 0.75 H new ATOM 0 HD22 LEU A 57 -9.158 8.486 0.073 1.00 0.75 H new ATOM 0 HD23 LEU A 57 -9.128 7.236 1.339 1.00 0.75 H new ATOM 706 N ALA A 58 -11.611 3.976 -2.424 1.00 0.46 N ATOM 707 CA ALA A 58 -12.754 3.450 -3.219 1.00 0.49 C ATOM 708 C ALA A 58 -13.298 2.186 -2.548 1.00 0.43 C ATOM 709 O ALA A 58 -14.496 2.029 -2.332 1.00 0.43 O ATOM 710 CB ALA A 58 -12.163 3.128 -4.594 1.00 0.53 C ATOM 0 H ALA A 58 -10.740 4.089 -2.942 1.00 0.46 H new ATOM 0 HA ALA A 58 -13.581 4.156 -3.296 1.00 0.49 H new ATOM 0 HB1 ALA A 58 -12.945 2.733 -5.243 1.00 0.53 H new ATOM 0 HB2 ALA A 58 -11.750 4.036 -5.034 1.00 0.53 H new ATOM 0 HB3 ALA A 58 -11.372 2.385 -4.485 1.00 0.53 H new ATOM 716 N TRP A 59 -12.419 1.291 -2.186 1.00 0.38 N ATOM 717 CA TRP A 59 -12.865 0.056 -1.506 1.00 0.34 C ATOM 718 C TRP A 59 -13.434 0.407 -0.124 1.00 0.34 C ATOM 719 O TRP A 59 -14.425 -0.152 0.295 1.00 0.38 O ATOM 720 CB TRP A 59 -11.635 -0.832 -1.360 1.00 0.31 C ATOM 721 CG TRP A 59 -11.960 -1.820 -0.312 1.00 0.28 C ATOM 722 CD1 TRP A 59 -12.659 -2.946 -0.513 1.00 0.30 C ATOM 723 CD2 TRP A 59 -11.675 -1.744 1.105 1.00 0.27 C ATOM 724 NE1 TRP A 59 -12.830 -3.578 0.696 1.00 0.29 N ATOM 725 CE2 TRP A 59 -12.221 -2.882 1.729 1.00 0.28 C ATOM 726 CE3 TRP A 59 -10.991 -0.806 1.896 1.00 0.28 C ATOM 727 CZ2 TRP A 59 -12.096 -3.087 3.100 1.00 0.32 C ATOM 728 CZ3 TRP A 59 -10.863 -1.003 3.276 1.00 0.32 C ATOM 729 CH2 TRP A 59 -11.413 -2.144 3.879 1.00 0.34 C ATOM 0 H TRP A 59 -11.413 1.368 -2.335 1.00 0.38 H new ATOM 0 HA TRP A 59 -13.645 -0.453 -2.073 1.00 0.34 H new ATOM 0 HB2 TRP A 59 -11.399 -1.327 -2.302 1.00 0.31 H new ATOM 0 HB3 TRP A 59 -10.761 -0.243 -1.082 1.00 0.31 H new ATOM 0 HD1 TRP A 59 -13.026 -3.298 -1.466 1.00 0.30 H new ATOM 0 HE1 TRP A 59 -13.342 -4.452 0.818 1.00 0.29 H new ATOM 0 HE3 TRP A 59 -10.561 0.072 1.437 1.00 0.28 H new ATOM 0 HZ2 TRP A 59 -12.522 -3.966 3.560 1.00 0.32 H new ATOM 0 HZ3 TRP A 59 -10.340 -0.275 3.878 1.00 0.32 H new ATOM 0 HH2 TRP A 59 -11.310 -2.295 4.943 1.00 0.34 H new ATOM 740 N LYS A 60 -12.833 1.329 0.591 1.00 0.38 N ATOM 741 CA LYS A 60 -13.406 1.684 1.921 1.00 0.43 C ATOM 742 C LYS A 60 -14.873 2.060 1.700 1.00 0.44 C ATOM 743 O LYS A 60 -15.741 1.659 2.447 1.00 0.48 O ATOM 744 CB LYS A 60 -12.572 2.852 2.455 1.00 0.49 C ATOM 745 CG LYS A 60 -11.669 2.329 3.582 1.00 0.60 C ATOM 746 CD LYS A 60 -10.270 2.929 3.467 1.00 0.93 C ATOM 747 CE LYS A 60 -10.337 4.418 3.777 1.00 0.71 C ATOM 748 NZ LYS A 60 -10.064 4.526 5.242 1.00 1.81 N ATOM 0 H LYS A 60 -11.992 1.838 0.318 1.00 0.38 H new ATOM 0 HA LYS A 60 -13.375 0.871 2.647 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -11.969 3.284 1.656 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -13.223 3.643 2.827 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -12.101 2.582 4.550 1.00 0.60 H new ATOM 0 HG3 LYS A 60 -11.610 1.242 3.534 1.00 0.60 H new ATOM 0 HD2 LYS A 60 -9.590 2.432 4.159 1.00 0.93 H new ATOM 0 HD3 LYS A 60 -9.875 2.772 2.463 1.00 0.93 H new ATOM 0 HE2 LYS A 60 -9.601 4.974 3.197 1.00 0.71 H new ATOM 0 HE3 LYS A 60 -11.315 4.829 3.527 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 -10.547 5.364 5.624 1.00 1.81 H new ATOM 0 HZ2 LYS A 60 -10.414 3.674 5.724 1.00 1.81 H new ATOM 0 HZ3 LYS A 60 -9.040 4.616 5.399 1.00 1.81 H new ATOM 762 N LYS A 61 -15.164 2.748 0.617 1.00 0.45 N ATOM 763 CA LYS A 61 -16.588 3.050 0.303 1.00 0.50 C ATOM 764 C LYS A 61 -17.316 1.703 0.175 1.00 0.47 C ATOM 765 O LYS A 61 -18.363 1.495 0.752 1.00 0.51 O ATOM 766 CB LYS A 61 -16.563 3.790 -1.035 1.00 0.54 C ATOM 767 CG LYS A 61 -16.692 5.299 -0.801 1.00 1.10 C ATOM 768 CD LYS A 61 -18.037 5.792 -1.348 1.00 1.46 C ATOM 769 CE LYS A 61 -18.226 5.285 -2.783 1.00 2.08 C ATOM 770 NZ LYS A 61 -19.169 6.250 -3.418 1.00 2.61 N ATOM 0 H LYS A 61 -14.482 3.107 -0.051 1.00 0.45 H new ATOM 0 HA LYS A 61 -17.092 3.652 1.059 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -15.634 3.573 -1.563 1.00 0.54 H new ATOM 0 HB3 LYS A 61 -17.378 3.441 -1.669 1.00 0.54 H new ATOM 0 HG2 LYS A 61 -16.618 5.520 0.264 1.00 1.10 H new ATOM 0 HG3 LYS A 61 -15.873 5.825 -1.293 1.00 1.10 H new ATOM 0 HD2 LYS A 61 -18.851 5.436 -0.716 1.00 1.46 H new ATOM 0 HD3 LYS A 61 -18.072 6.881 -1.329 1.00 1.46 H new ATOM 0 HE2 LYS A 61 -17.277 5.253 -3.317 1.00 2.08 H new ATOM 0 HE3 LYS A 61 -18.632 4.273 -2.793 1.00 2.08 H new ATOM 0 HZ1 LYS A 61 -19.345 5.966 -4.403 1.00 2.61 H new ATOM 0 HZ2 LYS A 61 -20.067 6.254 -2.893 1.00 2.61 H new ATOM 0 HZ3 LYS A 61 -18.754 7.203 -3.401 1.00 2.61 H new ATOM 784 N LEU A 62 -16.725 0.770 -0.546 1.00 0.44 N ATOM 785 CA LEU A 62 -17.334 -0.599 -0.683 1.00 0.45 C ATOM 786 C LEU A 62 -17.572 -1.221 0.709 1.00 0.41 C ATOM 787 O LEU A 62 -18.676 -1.614 1.053 1.00 0.46 O ATOM 788 CB LEU A 62 -16.277 -1.429 -1.425 1.00 0.48 C ATOM 789 CG LEU A 62 -16.587 -1.499 -2.910 1.00 0.61 C ATOM 790 CD1 LEU A 62 -15.537 -0.706 -3.688 1.00 1.20 C ATOM 791 CD2 LEU A 62 -16.547 -2.961 -3.346 1.00 1.26 C ATOM 0 H LEU A 62 -15.845 0.899 -1.046 1.00 0.44 H new ATOM 0 HA LEU A 62 -18.291 -0.564 -1.203 1.00 0.45 H new ATOM 0 HB2 LEU A 62 -15.292 -0.988 -1.276 1.00 0.48 H new ATOM 0 HB3 LEU A 62 -16.242 -2.436 -1.009 1.00 0.48 H new ATOM 0 HG LEU A 62 -17.572 -1.077 -3.107 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -15.759 -0.756 -4.754 1.00 1.20 H new ATOM 0 HD12 LEU A 62 -15.552 0.334 -3.363 1.00 1.20 H new ATOM 0 HD13 LEU A 62 -14.550 -1.130 -3.503 1.00 1.20 H new ATOM 0 HD21 LEU A 62 -16.768 -3.029 -4.411 1.00 1.26 H new ATOM 0 HD22 LEU A 62 -15.555 -3.371 -3.154 1.00 1.26 H new ATOM 0 HD23 LEU A 62 -17.289 -3.529 -2.785 1.00 1.26 H new ATOM 803 N LYS A 63 -16.525 -1.320 1.499 1.00 0.43 N ATOM 804 CA LYS A 63 -16.633 -1.915 2.868 1.00 0.45 C ATOM 805 C LYS A 63 -17.635 -1.132 3.726 1.00 0.46 C ATOM 806 O LYS A 63 -18.404 -1.706 4.468 1.00 0.54 O ATOM 807 CB LYS A 63 -15.219 -1.790 3.446 1.00 0.47 C ATOM 808 CG LYS A 63 -14.967 -2.893 4.480 1.00 0.59 C ATOM 809 CD LYS A 63 -15.311 -2.382 5.883 1.00 1.15 C ATOM 810 CE LYS A 63 -14.117 -2.607 6.816 1.00 1.44 C ATOM 811 NZ LYS A 63 -14.669 -2.435 8.194 1.00 2.31 N ATOM 0 H LYS A 63 -15.587 -1.008 1.246 1.00 0.43 H new ATOM 0 HA LYS A 63 -16.989 -2.945 2.845 1.00 0.45 H new ATOM 0 HB2 LYS A 63 -14.484 -1.859 2.644 1.00 0.47 H new ATOM 0 HB3 LYS A 63 -15.094 -0.812 3.910 1.00 0.47 H new ATOM 0 HG2 LYS A 63 -15.571 -3.769 4.244 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -13.924 -3.206 4.443 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -15.561 -1.322 5.844 1.00 1.15 H new ATOM 0 HD3 LYS A 63 -16.189 -2.903 6.266 1.00 1.15 H new ATOM 0 HE2 LYS A 63 -13.692 -3.602 6.682 1.00 1.44 H new ATOM 0 HE3 LYS A 63 -13.320 -1.891 6.617 1.00 1.44 H new ATOM 0 HZ1 LYS A 63 -13.910 -2.574 8.892 1.00 2.31 H new ATOM 0 HZ2 LYS A 63 -15.060 -1.477 8.294 1.00 2.31 H new ATOM 0 HZ3 LYS A 63 -15.421 -3.135 8.356 1.00 2.31 H new ATOM 825 N LEU A 64 -17.628 0.173 3.628 1.00 0.45 N ATOM 826 CA LEU A 64 -18.580 0.998 4.434 1.00 0.49 C ATOM 827 C LEU A 64 -20.012 0.832 3.901 1.00 0.50 C ATOM 828 O LEU A 64 -20.958 0.800 4.664 1.00 0.64 O ATOM 829 CB LEU A 64 -18.090 2.443 4.275 1.00 0.51 C ATOM 830 CG LEU A 64 -16.800 2.637 5.082 1.00 0.58 C ATOM 831 CD1 LEU A 64 -16.051 3.870 4.574 1.00 0.55 C ATOM 832 CD2 LEU A 64 -17.148 2.831 6.557 1.00 0.78 C ATOM 0 H LEU A 64 -17.002 0.705 3.023 1.00 0.45 H new ATOM 0 HA LEU A 64 -18.606 0.699 5.482 1.00 0.49 H new ATOM 0 HB2 LEU A 64 -17.910 2.664 3.223 1.00 0.51 H new ATOM 0 HB3 LEU A 64 -18.856 3.138 4.620 1.00 0.51 H new ATOM 0 HG LEU A 64 -16.168 1.757 4.965 1.00 0.58 H new ATOM 0 HD11 LEU A 64 -15.136 4.003 5.151 1.00 0.55 H new ATOM 0 HD12 LEU A 64 -15.801 3.736 3.522 1.00 0.55 H new ATOM 0 HD13 LEU A 64 -16.682 4.751 4.687 1.00 0.55 H new ATOM 0 HD21 LEU A 64 -16.232 2.969 7.132 1.00 0.78 H new ATOM 0 HD22 LEU A 64 -17.782 3.710 6.669 1.00 0.78 H new ATOM 0 HD23 LEU A 64 -17.678 1.952 6.924 1.00 0.78 H new ATOM 844 N ASP A 65 -20.175 0.722 2.605 1.00 0.43 N ATOM 845 CA ASP A 65 -21.548 0.550 2.029 1.00 0.47 C ATOM 846 C ASP A 65 -22.050 -0.894 2.220 1.00 0.45 C ATOM 847 O ASP A 65 -23.240 -1.142 2.247 1.00 0.58 O ATOM 848 CB ASP A 65 -21.396 0.870 0.537 1.00 0.50 C ATOM 849 CG ASP A 65 -21.994 2.243 0.246 1.00 0.69 C ATOM 850 OD1 ASP A 65 -23.189 2.397 0.433 1.00 1.26 O ATOM 851 OD2 ASP A 65 -21.248 3.117 -0.162 1.00 1.39 O ATOM 0 H ASP A 65 -19.419 0.744 1.921 1.00 0.43 H new ATOM 0 HA ASP A 65 -22.275 1.197 2.519 1.00 0.47 H new ATOM 0 HB2 ASP A 65 -20.343 0.854 0.256 1.00 0.50 H new ATOM 0 HB3 ASP A 65 -21.897 0.109 -0.062 1.00 0.50 H new ATOM 856 N GLY A 66 -21.154 -1.843 2.341 1.00 0.47 N ATOM 857 CA GLY A 66 -21.580 -3.270 2.521 1.00 0.49 C ATOM 858 C GLY A 66 -21.298 -4.056 1.236 1.00 0.44 C ATOM 859 O GLY A 66 -22.078 -4.894 0.826 1.00 0.49 O ATOM 0 H GLY A 66 -20.145 -1.693 2.323 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -21.044 -3.717 3.358 1.00 0.49 H new ATOM 0 HA3 GLY A 66 -22.642 -3.316 2.762 1.00 0.49 H new ATOM 863 N LEU A 67 -20.188 -3.785 0.596 1.00 0.43 N ATOM 864 CA LEU A 67 -19.841 -4.501 -0.672 1.00 0.45 C ATOM 865 C LEU A 67 -18.836 -5.619 -0.401 1.00 0.45 C ATOM 866 O LEU A 67 -18.887 -6.680 -0.996 1.00 0.55 O ATOM 867 CB LEU A 67 -19.190 -3.436 -1.560 1.00 0.46 C ATOM 868 CG LEU A 67 -20.112 -2.202 -1.682 1.00 0.60 C ATOM 869 CD1 LEU A 67 -19.753 -1.408 -2.937 1.00 0.88 C ATOM 870 CD2 LEU A 67 -21.577 -2.637 -1.787 1.00 1.23 C ATOM 0 H LEU A 67 -19.502 -3.094 0.899 1.00 0.43 H new ATOM 0 HA LEU A 67 -20.719 -4.956 -1.131 1.00 0.45 H new ATOM 0 HB2 LEU A 67 -18.229 -3.140 -1.139 1.00 0.46 H new ATOM 0 HB3 LEU A 67 -18.991 -3.849 -2.549 1.00 0.46 H new ATOM 0 HG LEU A 67 -19.975 -1.585 -0.794 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -20.407 -0.539 -3.017 1.00 0.88 H new ATOM 0 HD12 LEU A 67 -18.716 -1.078 -2.874 1.00 0.88 H new ATOM 0 HD13 LEU A 67 -19.880 -2.040 -3.816 1.00 0.88 H new ATOM 0 HD21 LEU A 67 -22.213 -1.756 -1.872 1.00 1.23 H new ATOM 0 HD22 LEU A 67 -21.708 -3.265 -2.668 1.00 1.23 H new ATOM 0 HD23 LEU A 67 -21.854 -3.200 -0.896 1.00 1.23 H new ATOM 882 N ASP A 68 -17.907 -5.376 0.474 1.00 0.42 N ATOM 883 CA ASP A 68 -16.881 -6.400 0.778 1.00 0.51 C ATOM 884 C ASP A 68 -17.192 -7.116 2.093 1.00 0.52 C ATOM 885 O ASP A 68 -16.366 -7.197 2.985 1.00 0.64 O ATOM 886 CB ASP A 68 -15.589 -5.606 0.878 1.00 0.60 C ATOM 887 CG ASP A 68 -14.399 -6.532 0.699 1.00 1.02 C ATOM 888 OD1 ASP A 68 -14.583 -7.641 0.237 1.00 1.47 O ATOM 889 OD2 ASP A 68 -13.318 -6.100 1.010 1.00 1.71 O ATOM 0 H ASP A 68 -17.815 -4.504 0.995 1.00 0.42 H new ATOM 0 HA ASP A 68 -16.833 -7.183 0.021 1.00 0.51 H new ATOM 0 HB2 ASP A 68 -15.572 -4.826 0.117 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -15.532 -5.109 1.846 1.00 0.60 H new ATOM 894 N GLU A 69 -18.374 -7.655 2.205 1.00 0.65 N ATOM 895 CA GLU A 69 -18.754 -8.391 3.447 1.00 0.70 C ATOM 896 C GLU A 69 -18.025 -9.748 3.514 1.00 0.73 C ATOM 897 O GLU A 69 -18.154 -10.477 4.478 1.00 0.87 O ATOM 898 CB GLU A 69 -20.269 -8.597 3.329 1.00 0.77 C ATOM 899 CG GLU A 69 -20.974 -7.232 3.216 1.00 1.22 C ATOM 900 CD GLU A 69 -21.847 -6.986 4.451 1.00 1.80 C ATOM 901 OE1 GLU A 69 -21.289 -6.700 5.498 1.00 2.42 O ATOM 902 OE2 GLU A 69 -23.059 -7.077 4.325 1.00 2.32 O ATOM 0 H GLU A 69 -19.098 -7.618 1.487 1.00 0.65 H new ATOM 0 HA GLU A 69 -18.482 -7.846 4.351 1.00 0.70 H new ATOM 0 HB2 GLU A 69 -20.495 -9.207 2.454 1.00 0.77 H new ATOM 0 HB3 GLU A 69 -20.641 -9.138 4.199 1.00 0.77 H new ATOM 0 HG2 GLU A 69 -20.233 -6.438 3.121 1.00 1.22 H new ATOM 0 HG3 GLU A 69 -21.588 -7.205 2.316 1.00 1.22 H new ATOM 909 N ASP A 70 -17.268 -10.096 2.495 1.00 0.72 N ATOM 910 CA ASP A 70 -16.550 -11.412 2.504 1.00 0.85 C ATOM 911 C ASP A 70 -15.017 -11.243 2.402 1.00 0.79 C ATOM 912 O ASP A 70 -14.284 -12.209 2.508 1.00 0.97 O ATOM 913 CB ASP A 70 -17.095 -12.150 1.276 1.00 0.98 C ATOM 914 CG ASP A 70 -18.332 -12.956 1.670 1.00 1.58 C ATOM 915 OD1 ASP A 70 -18.164 -13.983 2.307 1.00 2.18 O ATOM 916 OD2 ASP A 70 -19.425 -12.535 1.331 1.00 2.29 O ATOM 0 H ASP A 70 -17.118 -9.527 1.662 1.00 0.72 H new ATOM 0 HA ASP A 70 -16.718 -11.952 3.436 1.00 0.85 H new ATOM 0 HB2 ASP A 70 -17.348 -11.436 0.493 1.00 0.98 H new ATOM 0 HB3 ASP A 70 -16.331 -12.813 0.869 1.00 0.98 H new ATOM 921 N GLY A 71 -14.524 -10.041 2.201 1.00 0.69 N ATOM 922 CA GLY A 71 -13.042 -9.844 2.095 1.00 0.67 C ATOM 923 C GLY A 71 -12.571 -10.157 0.669 1.00 0.63 C ATOM 924 O GLY A 71 -11.492 -10.677 0.471 1.00 0.70 O ATOM 0 H GLY A 71 -15.082 -9.192 2.106 1.00 0.69 H new ATOM 0 HA2 GLY A 71 -12.784 -8.817 2.355 1.00 0.67 H new ATOM 0 HA3 GLY A 71 -12.529 -10.491 2.806 1.00 0.67 H new ATOM 928 N GLU A 72 -13.364 -9.826 -0.321 1.00 0.63 N ATOM 929 CA GLU A 72 -12.969 -10.079 -1.743 1.00 0.69 C ATOM 930 C GLU A 72 -12.393 -8.794 -2.358 1.00 0.62 C ATOM 931 O GLU A 72 -11.333 -8.806 -2.956 1.00 0.71 O ATOM 932 CB GLU A 72 -14.262 -10.496 -2.455 1.00 0.82 C ATOM 933 CG GLU A 72 -13.973 -11.662 -3.415 1.00 1.45 C ATOM 934 CD GLU A 72 -14.819 -11.516 -4.683 1.00 1.92 C ATOM 935 OE1 GLU A 72 -14.585 -10.570 -5.421 1.00 2.67 O ATOM 936 OE2 GLU A 72 -15.683 -12.352 -4.894 1.00 2.24 O ATOM 0 H GLU A 72 -14.277 -9.387 -0.204 1.00 0.63 H new ATOM 0 HA GLU A 72 -12.202 -10.848 -1.832 1.00 0.69 H new ATOM 0 HB2 GLU A 72 -15.012 -10.793 -1.722 1.00 0.82 H new ATOM 0 HB3 GLU A 72 -14.673 -9.651 -3.007 1.00 0.82 H new ATOM 0 HG2 GLU A 72 -12.914 -11.677 -3.674 1.00 1.45 H new ATOM 0 HG3 GLU A 72 -14.196 -12.610 -2.926 1.00 1.45 H new ATOM 943 N LYS A 73 -13.069 -7.679 -2.194 1.00 0.57 N ATOM 944 CA LYS A 73 -12.544 -6.388 -2.751 1.00 0.52 C ATOM 945 C LYS A 73 -11.299 -5.955 -1.953 1.00 0.45 C ATOM 946 O LYS A 73 -10.314 -5.507 -2.518 1.00 0.48 O ATOM 947 CB LYS A 73 -13.693 -5.376 -2.605 1.00 0.51 C ATOM 948 CG LYS A 73 -14.925 -5.864 -3.387 1.00 0.92 C ATOM 949 CD LYS A 73 -14.815 -5.438 -4.859 1.00 1.21 C ATOM 950 CE LYS A 73 -15.728 -6.322 -5.719 1.00 1.80 C ATOM 951 NZ LYS A 73 -16.754 -5.394 -6.302 1.00 2.28 N ATOM 0 H LYS A 73 -13.959 -7.607 -1.700 1.00 0.57 H new ATOM 0 HA LYS A 73 -12.238 -6.472 -3.794 1.00 0.52 H new ATOM 0 HB2 LYS A 73 -13.946 -5.250 -1.552 1.00 0.51 H new ATOM 0 HB3 LYS A 73 -13.379 -4.400 -2.976 1.00 0.51 H new ATOM 0 HG2 LYS A 73 -15.003 -6.949 -3.319 1.00 0.92 H new ATOM 0 HG3 LYS A 73 -15.833 -5.451 -2.947 1.00 0.92 H new ATOM 0 HD2 LYS A 73 -15.098 -4.391 -4.967 1.00 1.21 H new ATOM 0 HD3 LYS A 73 -13.783 -5.526 -5.198 1.00 1.21 H new ATOM 0 HE2 LYS A 73 -15.162 -6.824 -6.504 1.00 1.80 H new ATOM 0 HE3 LYS A 73 -16.199 -7.100 -5.119 1.00 1.80 H new ATOM 0 HZ1 LYS A 73 -17.410 -5.934 -6.901 1.00 2.28 H new ATOM 0 HZ2 LYS A 73 -17.284 -4.936 -5.534 1.00 2.28 H new ATOM 0 HZ3 LYS A 73 -16.279 -4.668 -6.876 1.00 2.28 H new ATOM 965 N GLU A 74 -11.323 -6.130 -0.652 1.00 0.39 N ATOM 966 CA GLU A 74 -10.134 -5.787 0.189 1.00 0.37 C ATOM 967 C GLU A 74 -9.012 -6.790 -0.116 1.00 0.43 C ATOM 968 O GLU A 74 -7.839 -6.486 0.014 1.00 0.45 O ATOM 969 CB GLU A 74 -10.620 -5.926 1.635 1.00 0.38 C ATOM 970 CG GLU A 74 -9.441 -5.820 2.608 1.00 0.46 C ATOM 971 CD GLU A 74 -9.937 -5.347 3.980 1.00 1.16 C ATOM 972 OE1 GLU A 74 -11.011 -5.766 4.392 1.00 1.99 O ATOM 973 OE2 GLU A 74 -9.232 -4.571 4.595 1.00 1.79 O ATOM 0 H GLU A 74 -12.121 -6.498 -0.135 1.00 0.39 H new ATOM 0 HA GLU A 74 -9.742 -4.787 0.001 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -11.352 -5.149 1.855 1.00 0.38 H new ATOM 0 HB3 GLU A 74 -11.123 -6.884 1.766 1.00 0.38 H new ATOM 0 HG2 GLU A 74 -8.949 -6.788 2.703 1.00 0.46 H new ATOM 0 HG3 GLU A 74 -8.699 -5.122 2.219 1.00 0.46 H new ATOM 980 N ALA A 75 -9.373 -7.979 -0.558 1.00 0.48 N ATOM 981 CA ALA A 75 -8.341 -8.995 -0.918 1.00 0.56 C ATOM 982 C ALA A 75 -7.370 -8.365 -1.916 1.00 0.55 C ATOM 983 O ALA A 75 -6.169 -8.530 -1.815 1.00 0.57 O ATOM 984 CB ALA A 75 -9.112 -10.151 -1.563 1.00 0.64 C ATOM 0 H ALA A 75 -10.339 -8.282 -0.682 1.00 0.48 H new ATOM 0 HA ALA A 75 -7.765 -9.343 -0.061 1.00 0.56 H new ATOM 0 HB1 ALA A 75 -8.414 -10.936 -1.853 1.00 0.64 H new ATOM 0 HB2 ALA A 75 -9.832 -10.551 -0.849 1.00 0.64 H new ATOM 0 HB3 ALA A 75 -9.639 -9.789 -2.446 1.00 0.64 H new ATOM 990 N ARG A 76 -7.884 -7.607 -2.856 1.00 0.54 N ATOM 991 CA ARG A 76 -6.986 -6.923 -3.832 1.00 0.54 C ATOM 992 C ARG A 76 -6.080 -5.940 -3.082 1.00 0.48 C ATOM 993 O ARG A 76 -4.920 -5.791 -3.401 1.00 0.51 O ATOM 994 CB ARG A 76 -7.915 -6.175 -4.788 1.00 0.55 C ATOM 995 CG ARG A 76 -7.069 -5.432 -5.826 1.00 0.61 C ATOM 996 CD ARG A 76 -7.954 -4.472 -6.622 1.00 0.78 C ATOM 997 NE ARG A 76 -7.891 -4.976 -8.025 1.00 1.27 N ATOM 998 CZ ARG A 76 -8.979 -5.201 -8.689 1.00 1.76 C ATOM 999 NH1 ARG A 76 -9.737 -6.205 -8.370 1.00 2.43 N ATOM 1000 NH2 ARG A 76 -9.301 -4.420 -9.672 1.00 2.35 N ATOM 0 H ARG A 76 -8.881 -7.435 -2.987 1.00 0.54 H new ATOM 0 HA ARG A 76 -6.344 -7.621 -4.370 1.00 0.54 H new ATOM 0 HB2 ARG A 76 -8.589 -6.875 -5.283 1.00 0.55 H new ATOM 0 HB3 ARG A 76 -8.537 -5.471 -4.235 1.00 0.55 H new ATOM 0 HG2 ARG A 76 -6.271 -4.879 -5.330 1.00 0.61 H new ATOM 0 HG3 ARG A 76 -6.593 -6.145 -6.499 1.00 0.61 H new ATOM 0 HD2 ARG A 76 -8.977 -4.473 -6.246 1.00 0.78 H new ATOM 0 HD3 ARG A 76 -7.590 -3.447 -6.552 1.00 0.78 H new ATOM 0 HE ARG A 76 -6.985 -5.144 -8.463 1.00 1.27 H new ATOM 0 HH11 ARG A 76 -9.475 -6.816 -7.596 1.00 2.43 H new ATOM 0 HH12 ARG A 76 -10.595 -6.383 -8.893 1.00 2.43 H new ATOM 0 HH21 ARG A 76 -8.699 -3.634 -9.918 1.00 2.35 H new ATOM 0 HH22 ARG A 76 -10.157 -4.591 -10.200 1.00 2.35 H new ATOM 1014 N LEU A 77 -6.600 -5.286 -2.072 1.00 0.41 N ATOM 1015 CA LEU A 77 -5.764 -4.330 -1.287 1.00 0.37 C ATOM 1016 C LEU A 77 -4.740 -5.117 -0.466 1.00 0.41 C ATOM 1017 O LEU A 77 -3.552 -4.853 -0.514 1.00 0.42 O ATOM 1018 CB LEU A 77 -6.746 -3.576 -0.377 1.00 0.34 C ATOM 1019 CG LEU A 77 -7.655 -2.700 -1.237 1.00 0.31 C ATOM 1020 CD1 LEU A 77 -8.833 -2.205 -0.407 1.00 0.29 C ATOM 1021 CD2 LEU A 77 -6.888 -1.494 -1.771 1.00 0.37 C ATOM 0 H LEU A 77 -7.567 -5.374 -1.759 1.00 0.41 H new ATOM 0 HA LEU A 77 -5.209 -3.635 -1.918 1.00 0.37 H new ATOM 0 HB2 LEU A 77 -7.342 -4.283 0.200 1.00 0.34 H new ATOM 0 HB3 LEU A 77 -6.199 -2.962 0.338 1.00 0.34 H new ATOM 0 HG LEU A 77 -8.014 -3.299 -2.074 1.00 0.31 H new ATOM 0 HD11 LEU A 77 -9.477 -1.581 -1.026 1.00 0.29 H new ATOM 0 HD12 LEU A 77 -9.401 -3.058 -0.037 1.00 0.29 H new ATOM 0 HD13 LEU A 77 -8.464 -1.621 0.436 1.00 0.29 H new ATOM 0 HD21 LEU A 77 -7.552 -0.882 -2.381 1.00 0.37 H new ATOM 0 HD22 LEU A 77 -6.514 -0.902 -0.936 1.00 0.37 H new ATOM 0 HD23 LEU A 77 -6.050 -1.836 -2.378 1.00 0.37 H new ATOM 1033 N ILE A 78 -5.195 -6.110 0.260 1.00 0.47 N ATOM 1034 CA ILE A 78 -4.252 -6.951 1.063 1.00 0.54 C ATOM 1035 C ILE A 78 -3.204 -7.574 0.128 1.00 0.57 C ATOM 1036 O ILE A 78 -2.022 -7.593 0.433 1.00 0.59 O ATOM 1037 CB ILE A 78 -5.119 -8.035 1.717 1.00 0.62 C ATOM 1038 CG1 ILE A 78 -6.133 -7.380 2.664 1.00 0.63 C ATOM 1039 CG2 ILE A 78 -4.230 -8.994 2.516 1.00 0.72 C ATOM 1040 CD1 ILE A 78 -7.041 -8.453 3.268 1.00 0.76 C ATOM 0 H ILE A 78 -6.178 -6.374 0.331 1.00 0.47 H new ATOM 0 HA ILE A 78 -3.715 -6.375 1.816 1.00 0.54 H new ATOM 0 HB ILE A 78 -5.647 -8.588 0.940 1.00 0.62 H new ATOM 0 HG12 ILE A 78 -5.611 -6.843 3.456 1.00 0.63 H new ATOM 0 HG13 ILE A 78 -6.731 -6.647 2.122 1.00 0.63 H new ATOM 0 HG21 ILE A 78 -4.848 -9.763 2.979 1.00 0.72 H new ATOM 0 HG22 ILE A 78 -3.508 -9.463 1.848 1.00 0.72 H new ATOM 0 HG23 ILE A 78 -3.700 -8.439 3.290 1.00 0.72 H new ATOM 0 HD11 ILE A 78 -7.760 -7.985 3.940 1.00 0.76 H new ATOM 0 HD12 ILE A 78 -7.574 -8.970 2.470 1.00 0.76 H new ATOM 0 HD13 ILE A 78 -6.437 -9.169 3.825 1.00 0.76 H new ATOM 1052 N ARG A 79 -3.625 -8.059 -1.021 1.00 0.60 N ATOM 1053 CA ARG A 79 -2.651 -8.653 -1.988 1.00 0.64 C ATOM 1054 C ARG A 79 -1.771 -7.542 -2.581 1.00 0.60 C ATOM 1055 O ARG A 79 -0.565 -7.655 -2.602 1.00 0.62 O ATOM 1056 CB ARG A 79 -3.501 -9.327 -3.076 1.00 0.68 C ATOM 1057 CG ARG A 79 -2.876 -10.678 -3.449 1.00 1.17 C ATOM 1058 CD ARG A 79 -3.881 -11.514 -4.251 1.00 1.32 C ATOM 1059 NE ARG A 79 -3.756 -12.901 -3.703 1.00 1.70 N ATOM 1060 CZ ARG A 79 -3.391 -13.882 -4.473 1.00 2.24 C ATOM 1061 NH1 ARG A 79 -4.280 -14.547 -5.143 1.00 2.82 N ATOM 1062 NH2 ARG A 79 -2.139 -14.194 -4.566 1.00 2.85 N ATOM 0 H ARG A 79 -4.598 -8.067 -1.326 1.00 0.60 H new ATOM 0 HA ARG A 79 -1.983 -9.373 -1.515 1.00 0.64 H new ATOM 0 HB2 ARG A 79 -4.520 -9.472 -2.718 1.00 0.68 H new ATOM 0 HB3 ARG A 79 -3.560 -8.686 -3.956 1.00 0.68 H new ATOM 0 HG2 ARG A 79 -1.971 -10.520 -4.035 1.00 1.17 H new ATOM 0 HG3 ARG A 79 -2.582 -11.214 -2.547 1.00 1.17 H new ATOM 0 HD2 ARG A 79 -4.895 -11.133 -4.132 1.00 1.32 H new ATOM 0 HD3 ARG A 79 -3.654 -11.489 -5.317 1.00 1.32 H new ATOM 0 HE ARG A 79 -3.959 -13.077 -2.719 1.00 1.70 H new ATOM 0 HH11 ARG A 79 -5.267 -14.300 -5.066 1.00 2.82 H new ATOM 0 HH12 ARG A 79 -3.993 -15.317 -5.747 1.00 2.82 H new ATOM 0 HH21 ARG A 79 -1.442 -13.671 -4.036 1.00 2.85 H new ATOM 0 HH22 ARG A 79 -1.849 -14.963 -5.169 1.00 2.85 H new ATOM 1076 N ASN A 80 -2.360 -6.460 -3.040 1.00 0.57 N ATOM 1077 CA ASN A 80 -1.533 -5.340 -3.602 1.00 0.54 C ATOM 1078 C ASN A 80 -0.541 -4.853 -2.541 1.00 0.51 C ATOM 1079 O ASN A 80 0.618 -4.613 -2.829 1.00 0.52 O ATOM 1080 CB ASN A 80 -2.523 -4.233 -3.968 1.00 0.50 C ATOM 1081 CG ASN A 80 -2.847 -4.313 -5.460 1.00 0.80 C ATOM 1082 OD1 ASN A 80 -2.959 -5.387 -6.021 1.00 1.29 O ATOM 1083 ND2 ASN A 80 -3.010 -3.212 -6.132 1.00 0.81 N ATOM 0 H ASN A 80 -3.368 -6.304 -3.050 1.00 0.57 H new ATOM 0 HA ASN A 80 -0.954 -5.651 -4.472 1.00 0.54 H new ATOM 0 HB2 ASN A 80 -3.435 -4.337 -3.381 1.00 0.50 H new ATOM 0 HB3 ASN A 80 -2.099 -3.258 -3.729 1.00 0.50 H new ATOM 0 HD21 ASN A 80 -3.231 -3.250 -7.127 1.00 0.81 H new ATOM 0 HD22 ASN A 80 -2.917 -2.310 -5.664 1.00 0.81 H new ATOM 1090 N LEU A 81 -0.976 -4.734 -1.308 1.00 0.49 N ATOM 1091 CA LEU A 81 -0.037 -4.304 -0.233 1.00 0.49 C ATOM 1092 C LEU A 81 1.053 -5.369 -0.112 1.00 0.57 C ATOM 1093 O LEU A 81 2.223 -5.074 -0.202 1.00 0.73 O ATOM 1094 CB LEU A 81 -0.874 -4.211 1.048 1.00 0.52 C ATOM 1095 CG LEU A 81 -0.497 -2.942 1.819 1.00 0.51 C ATOM 1096 CD1 LEU A 81 0.994 -2.962 2.157 1.00 0.55 C ATOM 1097 CD2 LEU A 81 -0.800 -1.713 0.962 1.00 0.53 C ATOM 0 H LEU A 81 -1.933 -4.915 -1.005 1.00 0.49 H new ATOM 0 HA LEU A 81 0.443 -3.346 -0.434 1.00 0.49 H new ATOM 0 HB2 LEU A 81 -1.935 -4.196 0.800 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -0.704 -5.090 1.670 1.00 0.52 H new ATOM 0 HG LEU A 81 -1.078 -2.901 2.741 1.00 0.51 H new ATOM 0 HD11 LEU A 81 1.255 -2.057 2.705 1.00 0.55 H new ATOM 0 HD12 LEU A 81 1.216 -3.835 2.771 1.00 0.55 H new ATOM 0 HD13 LEU A 81 1.575 -3.009 1.236 1.00 0.55 H new ATOM 0 HD21 LEU A 81 -0.531 -0.811 1.512 1.00 0.53 H new ATOM 0 HD22 LEU A 81 -0.222 -1.761 0.039 1.00 0.53 H new ATOM 0 HD23 LEU A 81 -1.863 -1.689 0.723 1.00 0.53 H new ATOM 1109 N ASN A 82 0.668 -6.614 0.039 1.00 0.55 N ATOM 1110 CA ASN A 82 1.678 -7.713 0.106 1.00 0.62 C ATOM 1111 C ASN A 82 2.604 -7.620 -1.113 1.00 0.63 C ATOM 1112 O ASN A 82 3.794 -7.814 -1.005 1.00 0.67 O ATOM 1113 CB ASN A 82 0.866 -9.010 0.070 1.00 0.69 C ATOM 1114 CG ASN A 82 0.603 -9.481 1.495 1.00 0.76 C ATOM 1115 OD1 ASN A 82 1.420 -10.151 2.086 1.00 0.87 O ATOM 1116 ND2 ASN A 82 -0.511 -9.156 2.075 1.00 0.78 N ATOM 0 H ASN A 82 -0.303 -6.915 0.119 1.00 0.55 H new ATOM 0 HA ASN A 82 2.301 -7.660 0.999 1.00 0.62 H new ATOM 0 HB2 ASN A 82 -0.077 -8.847 -0.451 1.00 0.69 H new ATOM 0 HB3 ASN A 82 1.408 -9.776 -0.484 1.00 0.69 H new ATOM 0 HD21 ASN A 82 -0.698 -9.465 3.029 1.00 0.78 H new ATOM 0 HD22 ASN A 82 -1.199 -8.591 1.577 1.00 0.78 H new ATOM 1123 N VAL A 83 2.063 -7.285 -2.264 1.00 0.61 N ATOM 1124 CA VAL A 83 2.914 -7.138 -3.489 1.00 0.63 C ATOM 1125 C VAL A 83 3.902 -5.985 -3.268 1.00 0.59 C ATOM 1126 O VAL A 83 5.089 -6.111 -3.508 1.00 0.62 O ATOM 1127 CB VAL A 83 1.930 -6.816 -4.624 1.00 0.61 C ATOM 1128 CG1 VAL A 83 2.669 -6.174 -5.801 1.00 0.64 C ATOM 1129 CG2 VAL A 83 1.261 -8.109 -5.097 1.00 0.67 C ATOM 0 H VAL A 83 1.069 -7.107 -2.406 1.00 0.61 H new ATOM 0 HA VAL A 83 3.497 -8.030 -3.719 1.00 0.63 H new ATOM 0 HB VAL A 83 1.178 -6.120 -4.252 1.00 0.61 H new ATOM 0 HG11 VAL A 83 1.960 -5.951 -6.598 1.00 0.64 H new ATOM 0 HG12 VAL A 83 3.146 -5.251 -5.471 1.00 0.64 H new ATOM 0 HG13 VAL A 83 3.428 -6.862 -6.173 1.00 0.64 H new ATOM 0 HG21 VAL A 83 0.562 -7.883 -5.902 1.00 0.67 H new ATOM 0 HG22 VAL A 83 2.022 -8.801 -5.459 1.00 0.67 H new ATOM 0 HG23 VAL A 83 0.722 -8.565 -4.266 1.00 0.67 H new ATOM 1139 N ILE A 84 3.417 -4.876 -2.774 1.00 0.54 N ATOM 1140 CA ILE A 84 4.318 -3.718 -2.492 1.00 0.51 C ATOM 1141 C ILE A 84 5.318 -4.141 -1.417 1.00 0.55 C ATOM 1142 O ILE A 84 6.516 -4.094 -1.615 1.00 0.57 O ATOM 1143 CB ILE A 84 3.389 -2.603 -1.987 1.00 0.44 C ATOM 1144 CG1 ILE A 84 2.702 -1.948 -3.182 1.00 0.46 C ATOM 1145 CG2 ILE A 84 4.185 -1.538 -1.225 1.00 0.41 C ATOM 1146 CD1 ILE A 84 1.343 -1.411 -2.749 1.00 0.41 C ATOM 0 H ILE A 84 2.433 -4.721 -2.553 1.00 0.54 H new ATOM 0 HA ILE A 84 4.887 -3.383 -3.359 1.00 0.51 H new ATOM 0 HB ILE A 84 2.651 -3.040 -1.314 1.00 0.44 H new ATOM 0 HG12 ILE A 84 3.319 -1.138 -3.572 1.00 0.46 H new ATOM 0 HG13 ILE A 84 2.580 -2.672 -3.988 1.00 0.46 H new ATOM 0 HG21 ILE A 84 3.508 -0.758 -0.876 1.00 0.41 H new ATOM 0 HG22 ILE A 84 4.681 -1.997 -0.370 1.00 0.41 H new ATOM 0 HG23 ILE A 84 4.933 -1.100 -1.886 1.00 0.41 H new ATOM 0 HD11 ILE A 84 0.849 -0.942 -3.600 1.00 0.41 H new ATOM 0 HD12 ILE A 84 0.728 -2.232 -2.380 1.00 0.41 H new ATOM 0 HD13 ILE A 84 1.478 -0.674 -1.957 1.00 0.41 H new ATOM 1158 N LEU A 85 4.827 -4.595 -0.297 1.00 0.57 N ATOM 1159 CA LEU A 85 5.736 -5.065 0.788 1.00 0.64 C ATOM 1160 C LEU A 85 6.680 -6.144 0.241 1.00 0.71 C ATOM 1161 O LEU A 85 7.788 -6.295 0.704 1.00 0.78 O ATOM 1162 CB LEU A 85 4.806 -5.629 1.866 1.00 0.70 C ATOM 1163 CG LEU A 85 3.870 -4.528 2.368 1.00 0.66 C ATOM 1164 CD1 LEU A 85 3.195 -4.990 3.654 1.00 1.17 C ATOM 1165 CD2 LEU A 85 4.656 -3.242 2.634 1.00 1.01 C ATOM 0 H LEU A 85 3.831 -4.661 -0.085 1.00 0.57 H new ATOM 0 HA LEU A 85 6.367 -4.271 1.187 1.00 0.64 H new ATOM 0 HB2 LEU A 85 4.224 -6.457 1.461 1.00 0.70 H new ATOM 0 HB3 LEU A 85 5.393 -6.026 2.694 1.00 0.70 H new ATOM 0 HG LEU A 85 3.116 -4.326 1.607 1.00 0.66 H new ATOM 0 HD11 LEU A 85 2.527 -4.208 4.015 1.00 1.17 H new ATOM 0 HD12 LEU A 85 2.621 -5.896 3.459 1.00 1.17 H new ATOM 0 HD13 LEU A 85 3.953 -5.197 4.409 1.00 1.17 H new ATOM 0 HD21 LEU A 85 3.977 -2.468 2.991 1.00 1.01 H new ATOM 0 HD22 LEU A 85 5.419 -3.431 3.389 1.00 1.01 H new ATOM 0 HD23 LEU A 85 5.133 -2.910 1.712 1.00 1.01 H new ATOM 1177 N ALA A 86 6.259 -6.877 -0.760 1.00 0.71 N ATOM 1178 CA ALA A 86 7.156 -7.920 -1.351 1.00 0.81 C ATOM 1179 C ALA A 86 8.170 -7.262 -2.302 1.00 0.79 C ATOM 1180 O ALA A 86 9.269 -7.749 -2.484 1.00 0.87 O ATOM 1181 CB ALA A 86 6.231 -8.862 -2.121 1.00 0.84 C ATOM 0 H ALA A 86 5.338 -6.800 -1.192 1.00 0.71 H new ATOM 0 HA ALA A 86 7.727 -8.452 -0.590 1.00 0.81 H new ATOM 0 HB1 ALA A 86 6.821 -9.654 -2.582 1.00 0.84 H new ATOM 0 HB2 ALA A 86 5.506 -9.301 -1.435 1.00 0.84 H new ATOM 0 HB3 ALA A 86 5.705 -8.303 -2.895 1.00 0.84 H new ATOM 1187 N LYS A 87 7.806 -6.152 -2.900 1.00 0.72 N ATOM 1188 CA LYS A 87 8.739 -5.442 -3.832 1.00 0.72 C ATOM 1189 C LYS A 87 9.730 -4.579 -3.039 1.00 0.70 C ATOM 1190 O LYS A 87 10.841 -4.332 -3.472 1.00 0.74 O ATOM 1191 CB LYS A 87 7.828 -4.545 -4.675 1.00 0.68 C ATOM 1192 CG LYS A 87 8.624 -3.930 -5.830 1.00 0.70 C ATOM 1193 CD LYS A 87 7.674 -3.153 -6.748 1.00 0.68 C ATOM 1194 CE LYS A 87 7.916 -3.559 -8.206 1.00 0.75 C ATOM 1195 NZ LYS A 87 6.783 -2.967 -8.984 1.00 0.86 N ATOM 0 H LYS A 87 6.897 -5.705 -2.781 1.00 0.72 H new ATOM 0 HA LYS A 87 9.326 -6.134 -4.436 1.00 0.72 H new ATOM 0 HB2 LYS A 87 6.993 -5.126 -5.066 1.00 0.68 H new ATOM 0 HB3 LYS A 87 7.404 -3.756 -4.054 1.00 0.68 H new ATOM 0 HG2 LYS A 87 9.395 -3.266 -5.441 1.00 0.70 H new ATOM 0 HG3 LYS A 87 9.132 -4.713 -6.393 1.00 0.70 H new ATOM 0 HD2 LYS A 87 6.639 -3.355 -6.471 1.00 0.68 H new ATOM 0 HD3 LYS A 87 7.833 -2.081 -6.628 1.00 0.68 H new ATOM 0 HE2 LYS A 87 8.875 -3.183 -8.563 1.00 0.75 H new ATOM 0 HE3 LYS A 87 7.939 -4.644 -8.312 1.00 0.75 H new ATOM 0 HZ1 LYS A 87 6.433 -3.664 -9.672 1.00 0.86 H new ATOM 0 HZ2 LYS A 87 6.014 -2.706 -8.334 1.00 0.86 H new ATOM 0 HZ3 LYS A 87 7.113 -2.119 -9.487 1.00 0.86 H new ATOM 1209 N TYR A 88 9.319 -4.091 -1.899 1.00 0.66 N ATOM 1210 CA TYR A 88 10.214 -3.210 -1.087 1.00 0.64 C ATOM 1211 C TYR A 88 10.582 -3.851 0.258 1.00 0.68 C ATOM 1212 O TYR A 88 11.506 -3.411 0.914 1.00 0.68 O ATOM 1213 CB TYR A 88 9.386 -1.939 -0.860 1.00 0.57 C ATOM 1214 CG TYR A 88 8.809 -1.481 -2.174 1.00 0.55 C ATOM 1215 CD1 TYR A 88 9.642 -0.907 -3.133 1.00 1.13 C ATOM 1216 CD2 TYR A 88 7.450 -1.663 -2.440 1.00 1.09 C ATOM 1217 CE1 TYR A 88 9.118 -0.514 -4.366 1.00 1.14 C ATOM 1218 CE2 TYR A 88 6.918 -1.268 -3.674 1.00 1.08 C ATOM 1219 CZ TYR A 88 7.755 -0.695 -4.640 1.00 0.54 C ATOM 1220 OH TYR A 88 7.236 -0.308 -5.860 1.00 0.56 O ATOM 0 H TYR A 88 8.400 -4.264 -1.492 1.00 0.66 H new ATOM 0 HA TYR A 88 11.160 -3.022 -1.594 1.00 0.64 H new ATOM 0 HB2 TYR A 88 8.586 -2.135 -0.147 1.00 0.57 H new ATOM 0 HB3 TYR A 88 10.011 -1.156 -0.431 1.00 0.57 H new ATOM 0 HD1 TYR A 88 10.692 -0.766 -2.922 1.00 1.13 H new ATOM 0 HD2 TYR A 88 6.809 -2.109 -1.694 1.00 1.09 H new ATOM 0 HE1 TYR A 88 9.763 -0.070 -5.110 1.00 1.14 H new ATOM 0 HE2 TYR A 88 5.867 -1.405 -3.880 1.00 1.08 H new ATOM 0 HH TYR A 88 6.276 -0.505 -5.885 1.00 0.56 H new ATOM 1230 N GLY A 89 9.869 -4.864 0.689 1.00 0.74 N ATOM 1231 CA GLY A 89 10.187 -5.489 2.011 1.00 0.80 C ATOM 1232 C GLY A 89 9.952 -4.443 3.102 1.00 0.76 C ATOM 1233 O GLY A 89 10.754 -4.274 3.999 1.00 0.80 O ATOM 0 H GLY A 89 9.086 -5.282 0.186 1.00 0.74 H new ATOM 0 HA2 GLY A 89 9.557 -6.363 2.180 1.00 0.80 H new ATOM 0 HA3 GLY A 89 11.221 -5.833 2.030 1.00 0.80 H new ATOM 1237 N LEU A 90 8.857 -3.724 3.016 1.00 0.70 N ATOM 1238 CA LEU A 90 8.570 -2.662 4.029 1.00 0.68 C ATOM 1239 C LEU A 90 8.037 -3.273 5.334 1.00 0.79 C ATOM 1240 O LEU A 90 8.568 -3.029 6.402 1.00 0.89 O ATOM 1241 CB LEU A 90 7.501 -1.770 3.376 1.00 0.63 C ATOM 1242 CG LEU A 90 8.154 -0.685 2.506 1.00 0.60 C ATOM 1243 CD1 LEU A 90 7.210 -0.332 1.352 1.00 0.57 C ATOM 1244 CD2 LEU A 90 8.395 0.565 3.350 1.00 0.74 C ATOM 0 H LEU A 90 8.151 -3.828 2.287 1.00 0.70 H new ATOM 0 HA LEU A 90 9.468 -2.105 4.296 1.00 0.68 H new ATOM 0 HB2 LEU A 90 6.835 -2.380 2.766 1.00 0.63 H new ATOM 0 HB3 LEU A 90 6.889 -1.304 4.148 1.00 0.63 H new ATOM 0 HG LEU A 90 9.102 -1.053 2.114 1.00 0.60 H new ATOM 0 HD11 LEU A 90 7.667 0.438 0.730 1.00 0.57 H new ATOM 0 HD12 LEU A 90 7.023 -1.221 0.750 1.00 0.57 H new ATOM 0 HD13 LEU A 90 6.267 0.039 1.754 1.00 0.57 H new ATOM 0 HD21 LEU A 90 8.858 1.336 2.734 1.00 0.74 H new ATOM 0 HD22 LEU A 90 7.444 0.932 3.736 1.00 0.74 H new ATOM 0 HD23 LEU A 90 9.055 0.320 4.182 1.00 0.74 H new ATOM 1256 N ASP A 91 6.989 -4.052 5.260 1.00 0.88 N ATOM 1257 CA ASP A 91 6.411 -4.655 6.499 1.00 1.01 C ATOM 1258 C ASP A 91 6.326 -6.187 6.389 1.00 1.08 C ATOM 1259 O ASP A 91 5.293 -6.778 6.641 1.00 1.63 O ATOM 1260 CB ASP A 91 5.014 -4.030 6.595 1.00 1.77 C ATOM 1261 CG ASP A 91 5.088 -2.731 7.392 1.00 2.61 C ATOM 1262 OD1 ASP A 91 5.673 -1.780 6.893 1.00 3.01 O ATOM 1263 OD2 ASP A 91 4.581 -2.707 8.497 1.00 3.28 O ATOM 0 H ASP A 91 6.508 -4.297 4.395 1.00 0.88 H new ATOM 0 HA ASP A 91 7.021 -4.460 7.381 1.00 1.01 H new ATOM 0 HB2 ASP A 91 4.623 -3.834 5.597 1.00 1.77 H new ATOM 0 HB3 ASP A 91 4.326 -4.725 7.076 1.00 1.77 H new ATOM 1268 N GLY A 92 7.399 -6.837 6.021 1.00 0.00 N ATOM 1269 CA GLY A 92 7.360 -8.330 5.905 1.00 0.00 C ATOM 1270 C GLY A 92 8.747 -8.918 6.172 1.00 0.00 C ATOM 1271 O GLY A 92 9.311 -8.741 7.233 1.00 0.00 O ATOM 0 H GLY A 92 8.295 -6.405 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.641 -8.738 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.022 -8.616 4.909 1.00 0.00 H new ATOM 1275 N LYS A 93 9.299 -9.612 5.211 1.00 0.00 N ATOM 1276 CA LYS A 93 10.657 -10.210 5.400 1.00 0.00 C ATOM 1277 C LYS A 93 11.739 -9.154 5.143 1.00 0.00 C ATOM 1278 O LYS A 93 11.588 -8.292 4.297 1.00 0.00 O ATOM 1279 CB LYS A 93 10.751 -11.338 4.369 1.00 0.00 C ATOM 1280 CG LYS A 93 11.083 -12.655 5.077 1.00 0.00 C ATOM 1281 CD LYS A 93 11.379 -13.737 4.035 1.00 0.00 C ATOM 1282 CE LYS A 93 10.093 -14.114 3.289 1.00 0.00 C ATOM 1283 NZ LYS A 93 10.333 -13.685 1.878 1.00 0.00 N ATOM 0 H LYS A 93 8.869 -9.791 4.303 1.00 0.00 H new ATOM 0 HA LYS A 93 10.805 -10.579 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.808 -11.431 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.519 -11.107 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.944 -12.521 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.248 -12.961 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.127 -13.378 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.798 -14.618 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.900 -15.185 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.226 -13.609 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.463 -13.814 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.608 -12.682 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.095 -14.260 1.465 1.00 0.00 H new ATOM 1297 N LYS A 94 12.827 -9.216 5.868 1.00 0.00 N ATOM 1298 CA LYS A 94 13.924 -8.214 5.669 1.00 0.00 C ATOM 1299 C LYS A 94 15.293 -8.819 6.037 1.00 0.00 C ATOM 1300 O LYS A 94 16.149 -8.155 6.595 1.00 0.00 O ATOM 1301 CB LYS A 94 13.562 -7.045 6.600 1.00 0.00 C ATOM 1302 CG LYS A 94 13.414 -7.540 8.046 1.00 0.00 C ATOM 1303 CD LYS A 94 14.626 -7.091 8.869 1.00 0.00 C ATOM 1304 CE LYS A 94 14.174 -6.154 9.992 1.00 0.00 C ATOM 1305 NZ LYS A 94 15.039 -4.945 9.856 1.00 0.00 N ATOM 0 H LYS A 94 13.005 -9.915 6.589 1.00 0.00 H new ATOM 0 HA LYS A 94 14.008 -7.894 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.335 -6.278 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.632 -6.583 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.497 -7.145 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.333 -8.627 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.133 -7.959 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.345 -6.583 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.119 -5.898 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.298 -6.620 10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.789 -4.255 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.037 -5.218 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.895 -4.519 8.919 1.00 0.00 H new ATOM 1319 N ASP A 95 15.505 -10.075 5.724 1.00 0.00 N ATOM 1320 CA ASP A 95 16.811 -10.720 6.056 1.00 0.00 C ATOM 1321 C ASP A 95 17.555 -11.139 4.773 1.00 0.00 C ATOM 1322 O ASP A 95 18.511 -10.501 4.373 1.00 0.00 O ATOM 1323 CB ASP A 95 16.433 -11.934 6.914 1.00 0.00 C ATOM 1324 CG ASP A 95 17.616 -12.324 7.801 1.00 0.00 C ATOM 1325 OD1 ASP A 95 18.033 -11.497 8.591 1.00 0.00 O ATOM 1326 OD2 ASP A 95 18.081 -13.444 7.677 1.00 0.00 O ATOM 0 H ASP A 95 14.831 -10.679 5.254 1.00 0.00 H new ATOM 0 HA ASP A 95 17.489 -10.049 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.565 -11.700 7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 95 16.154 -12.771 6.274 1.00 0.00 H new ATOM 1331 N ALA A 96 17.132 -12.199 4.128 1.00 0.00 N ATOM 1332 CA ALA A 96 17.828 -12.644 2.879 1.00 0.00 C ATOM 1333 C ALA A 96 16.812 -13.015 1.790 1.00 0.00 C ATOM 1334 O ALA A 96 16.885 -12.529 0.677 1.00 0.00 O ATOM 1335 CB ALA A 96 18.642 -13.870 3.300 1.00 0.00 C ATOM 0 H ALA A 96 16.338 -12.774 4.411 1.00 0.00 H new ATOM 0 HA ALA A 96 18.455 -11.858 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.185 -14.260 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 96 19.351 -13.586 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 96 17.971 -14.638 3.683 1.00 0.00 H new ATOM 1341 N ARG A 97 15.872 -13.877 2.097 1.00 0.00 N ATOM 1342 CA ARG A 97 14.856 -14.282 1.074 1.00 0.00 C ATOM 1343 C ARG A 97 13.553 -14.747 1.744 1.00 0.00 C ATOM 1344 O ARG A 97 12.507 -14.587 1.133 1.00 0.00 O ATOM 1345 CB ARG A 97 15.503 -15.437 0.309 1.00 0.00 C ATOM 1346 CG ARG A 97 14.572 -15.881 -0.823 1.00 0.00 C ATOM 1347 CD ARG A 97 15.294 -15.762 -2.165 1.00 0.00 C ATOM 1348 NE ARG A 97 15.582 -17.171 -2.569 1.00 0.00 N ATOM 1349 CZ ARG A 97 14.637 -17.913 -3.059 1.00 0.00 C ATOM 1350 NH1 ARG A 97 14.101 -17.606 -4.196 1.00 0.00 N ATOM 1351 NH2 ARG A 97 14.233 -18.959 -2.407 1.00 0.00 N ATOM 1352 OXT ARG A 97 13.618 -15.259 2.849 1.00 0.00 O ATOM 0 H ARG A 97 15.764 -14.317 3.011 1.00 0.00 H new ATOM 0 HA ARG A 97 14.588 -13.451 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.465 -15.125 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.697 -16.271 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.253 -16.911 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.672 -15.266 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.673 -15.257 -2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.212 -15.182 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 97 16.523 -17.550 -2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.422 -16.782 -4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.358 -18.188 -4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.658 -19.197 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.490 -19.544 -2.790 1.00 0.00 H new TER 1366 ARG A 97 END