USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) HEADER HEPATOCYTE GROWTH FACTOR 18-DEC-97 2HGF TITLE HAIRPIN LOOP CONTAINING DOMAIN OF HEPATOCYTE GROWTH FACTOR, TITLE 2 NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEPATOCYTE GROWTH FACTOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: AMINO TERMINAL DOMAIN; COMPND 5 SYNONYM: HGF/N; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HEPATOCYTE GROWTH FACTOR, SCATTER FACTOR, HAIRPIN LOOP, KEYWDS 2 HEPARIN BINDING, PLASMINOGEN RELATED, NK1 EXPDTA SOLUTION NMR AUTHOR H.ZHOU,M.J.MAZZULLA,J.D.KAUFMAN,S.J.STAHL,P.T.WINGFIELD, AUTHOR 2 J.S.RUBIN,D.P.BOTTARO,R.A.BYRD REVDAT 2 24-FEB-09 2HGF 1 VERSN REVDAT 1 24-JUN-98 2HGF 0 JRNL AUTH H.ZHOU,M.J.MAZZULLA,J.D.KAUFMAN,S.J.STAHL, JRNL AUTH 2 P.T.WINGFIELD,J.S.RUBIN,D.P.BOTTARO,R.A.BYRD JRNL TITL THE SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF JRNL TITL 2 HEPATOCYTE GROWTH FACTOR REVEALS A POTENTIAL JRNL TITL 3 HEPARIN-BINDING SITE. JRNL REF STRUCTURE V. 6 109 1998 JRNL REFN ISSN 0969-2126 JRNL PMID 9493272 JRNL DOI 10.1016/S0969-2126(98)00012-4 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.J.STAHL,P.T.WINGFIELD,J.D.KAUFMAN,L.K.PANNELL, REMARK 1 AUTH 2 V.CIOCE,H.SAKATA,W.G.TAYLOR,J.S.RUBIN,D.P.BOTTARO REMARK 1 TITL FUNCTIONAL AND BIOPHYSICAL CHARACTERIZATION OF REMARK 1 TITL 2 RECOMBINANT HUMAN HEPATOCYTE GROWTH FACTOR REMARK 1 TITL 3 ISOFORMS PRODUCED IN ESCHERICHIA COLI REMARK 1 REF BIOCHEM.J. V. 326 763 1997 REMARK 1 REFN ISSN 0264-6021 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2HGF 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) : 303 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE REFERENCE. REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR3.8 REMARK 210 METHOD USED : DISTANCE-GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 60 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : RESTRAINED, MINIMIZED MEAN REMARK 210 STRUCTURE 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 GLN A 32 77.86 -177.54 REMARK 500 LYS A 34 -92.01 38.86 REMARK 500 ILE A 51 -145.81 -122.26 REMARK 500 ALA A 56 40.25 -100.05 REMARK 500 LYS A 58 -154.76 -125.56 REMARK 500 ARG A 76 94.40 -42.73 REMARK 500 ASN A 77 -152.03 -61.42 REMARK 500 LYS A 78 26.55 42.91 REMARK 500 THR A 83 18.35 56.72 REMARK 500 CYS A 84 81.49 56.30 REMARK 500 SER A 105 177.55 -56.25 REMARK 500 GLU A 111 -154.82 -123.35 REMARK 500 PHE A 112 -115.22 -136.71 REMARK 500 HIS A 114 -57.42 64.58 REMARK 500 PHE A 116 -160.87 -79.59 REMARK 500 ILE A 125 104.89 -43.59 REMARK 500 ARG A 126 157.24 -39.66 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 33 0.31 SIDE_CHAIN REMARK 500 ARG A 35 0.32 SIDE_CHAIN REMARK 500 ARG A 36 0.31 SIDE_CHAIN REMARK 500 ARG A 73 0.25 SIDE_CHAIN REMARK 500 ARG A 76 0.22 SIDE_CHAIN REMARK 500 ARG A 93 0.31 SIDE_CHAIN REMARK 500 ARG A 126 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 2HGF A 31 127 UNP P14210 HGF_HUMAN 31 127 SEQRES 1 A 97 GLY GLN ARG LYS ARG ARG ASN THR ILE HIS GLU PHE LYS SEQRES 2 A 97 LYS SER ALA LYS THR THR LEU ILE LYS ILE ASP PRO ALA SEQRES 3 A 97 LEU LYS ILE LYS THR LYS LYS VAL ASN THR ALA ASP GLN SEQRES 4 A 97 CYS ALA ASN ARG CYS THR ARG ASN LYS GLY LEU PRO PHE SEQRES 5 A 97 THR CYS LYS ALA PHE VAL PHE ASP LYS ALA ARG LYS GLN SEQRES 6 A 97 CYS LEU TRP PHE PRO PHE ASN SER MET SER SER GLY VAL SEQRES 7 A 97 LYS LYS GLU PHE GLY HIS GLU PHE ASP LEU TYR GLU ASN SEQRES 8 A 97 LYS ASP TYR ILE ARG ASN HELIX 1 B ILE A 39 GLU A 41 5 3 HELIX 2 A ALA A 67 THR A 75 1 9 SHEET 1 CEN 5 PHE A 42 ALA A 46 0 SHEET 2 CEN 5 LYS A 60 LYS A 63 1 SHEET 3 CEN 5 ALA A 86 ASP A 90 1 SHEET 4 CEN 5 GLN A 95 PHE A 99 -1 SHEET 5 CEN 5 ASP A 117 ASN A 121 1 SHEET 1 MIN 2 THR A 49 ILE A 51 0 SHEET 2 MIN 2 LYS A 109 GLU A 111 -1 SSBOND *** CYS A 70 CYS A 96 1555 1555 2.02 SSBOND *** CYS A 74 CYS A 84 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot -94:sc= -1.18! USER MOD Set 1.2: A 75 THR OG1 : rot -160:sc= -0.874! USER MOD Set 2.1: A 44 LYS NZ :NH3+ 156:sc= -4.34! (180deg=-5.57!) USER MOD Set 2.2: A 119 TYR OH : rot 0:sc= -0.643 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.482 K(o=-0.48,f=-2.1!) USER MOD Single : A 40 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00972 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.338) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -124:sc=-0.00599 (180deg=-0.277) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.0337 F(o=-1.1,f=-0.034) USER MOD Single : A 72 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.8!) USER MOD Single : A 77 ASN : amide:sc= -2.39! C(o=-2.4!,f=-5.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= 0.042 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc=-0.00248 F(o=-1.2!,f=-0.0025) USER MOD Single : A 102 ASN : amide:sc= -6.82! C(o=-6.8!,f=-19!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -142:sc= -0.542 (180deg=-2.82!) USER MOD Single : A 105 SER OG : rot 150:sc= -0.562 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.14) USER MOD Single : A 121 ASN : amide:sc= -10! C(o=-10!,f=-12!) USER MOD Single : A 122 LYS NZ :NH3+ 142:sc= -0.428 (180deg=-2.44!) USER MOD Single : A 124 TYR OH : rot -138:sc= -2.41! USER MOD Single : A 127 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 75.846 6.620 -23.093 1.00 12.19 N ATOM 2 CA GLY A 31 76.335 5.300 -23.584 1.00 11.90 C ATOM 3 C GLY A 31 77.807 5.126 -23.205 1.00 11.11 C ATOM 4 O GLY A 31 78.560 4.463 -23.889 1.00 11.13 O ATOM 0 HA2 GLY A 31 75.740 4.496 -23.151 1.00 11.90 H new ATOM 0 HA3 GLY A 31 76.217 5.236 -24.666 1.00 11.90 H new ATOM 10 N GLN A 32 78.223 5.718 -22.118 1.00 10.61 N ATOM 11 CA GLN A 32 79.647 5.586 -21.696 1.00 10.03 C ATOM 12 C GLN A 32 79.874 6.314 -20.368 1.00 8.98 C ATOM 13 O GLN A 32 80.404 7.407 -20.332 1.00 8.78 O ATOM 14 CB GLN A 32 80.454 6.247 -22.814 1.00 10.52 C ATOM 15 CG GLN A 32 81.925 5.845 -22.691 1.00 10.90 C ATOM 16 CD GLN A 32 82.558 5.792 -24.082 1.00 11.36 C ATOM 17 OE1 GLN A 32 82.999 4.749 -24.523 1.00 11.67 O ATOM 18 NE2 GLN A 32 82.623 6.882 -24.798 1.00 11.64 N ATOM 0 H GLN A 32 77.639 6.287 -21.505 1.00 10.61 H new ATOM 0 HA GLN A 32 79.938 4.547 -21.543 1.00 10.03 H new ATOM 0 HB2 GLN A 32 80.064 5.944 -23.786 1.00 10.52 H new ATOM 0 HB3 GLN A 32 80.356 7.331 -22.755 1.00 10.52 H new ATOM 0 HG2 GLN A 32 82.457 6.561 -22.065 1.00 10.90 H new ATOM 0 HG3 GLN A 32 82.008 4.873 -22.205 1.00 10.90 H new ATOM 0 HE21 GLN A 32 82.253 7.758 -24.428 1.00 11.64 H new ATOM 0 HE22 GLN A 32 83.044 6.858 -25.727 1.00 11.64 H new ATOM 27 N ARG A 33 79.475 5.720 -19.277 1.00 8.51 N ATOM 28 CA ARG A 33 79.669 6.383 -17.956 1.00 7.68 C ATOM 29 C ARG A 33 81.119 6.860 -17.812 1.00 6.92 C ATOM 30 O ARG A 33 81.385 7.891 -17.228 1.00 7.03 O ATOM 31 CB ARG A 33 79.323 5.312 -16.912 1.00 8.16 C ATOM 32 CG ARG A 33 80.490 4.333 -16.729 1.00 8.74 C ATOM 33 CD ARG A 33 80.532 3.352 -17.903 1.00 9.46 C ATOM 34 NE ARG A 33 79.259 2.586 -17.807 1.00 9.85 N ATOM 35 CZ ARG A 33 78.528 2.398 -18.872 1.00 10.64 C ATOM 36 NH1 ARG A 33 78.859 1.478 -19.736 1.00 10.97 N ATOM 37 NH2 ARG A 33 77.465 3.128 -19.072 1.00 11.23 N ATOM 0 H ARG A 33 79.024 4.806 -19.243 1.00 8.51 H new ATOM 0 HA ARG A 33 79.042 7.266 -17.837 1.00 7.68 H new ATOM 0 HB2 ARG A 33 79.089 5.788 -15.960 1.00 8.16 H new ATOM 0 HB3 ARG A 33 78.431 4.768 -17.224 1.00 8.16 H new ATOM 0 HG2 ARG A 33 81.430 4.881 -16.667 1.00 8.74 H new ATOM 0 HG3 ARG A 33 80.376 3.788 -15.792 1.00 8.74 H new ATOM 0 HD2 ARG A 33 80.606 3.878 -18.855 1.00 9.46 H new ATOM 0 HD3 ARG A 33 81.397 2.692 -17.836 1.00 9.46 H new ATOM 0 HE ARG A 33 78.958 2.208 -16.909 1.00 9.85 H new ATOM 0 HH11 ARG A 33 79.689 0.906 -19.579 1.00 10.97 H new ATOM 0 HH12 ARG A 33 78.288 1.331 -20.568 1.00 10.97 H new ATOM 0 HH21 ARG A 33 77.205 3.846 -18.396 1.00 11.23 H new ATOM 0 HH22 ARG A 33 76.894 2.981 -19.904 1.00 11.23 H new ATOM 51 N LYS A 34 82.051 6.120 -18.348 1.00 6.45 N ATOM 52 CA LYS A 34 83.487 6.522 -18.256 1.00 6.05 C ATOM 53 C LYS A 34 83.805 7.124 -16.881 1.00 5.23 C ATOM 54 O LYS A 34 84.154 6.422 -15.953 1.00 5.36 O ATOM 55 CB LYS A 34 83.676 7.566 -19.358 1.00 6.50 C ATOM 56 CG LYS A 34 85.102 8.119 -19.297 1.00 7.11 C ATOM 57 CD LYS A 34 85.650 8.279 -20.717 1.00 7.78 C ATOM 58 CE LYS A 34 86.936 7.462 -20.864 1.00 8.48 C ATOM 59 NZ LYS A 34 87.365 7.672 -22.275 1.00 8.80 N ATOM 0 H LYS A 34 81.880 5.248 -18.849 1.00 6.45 H new ATOM 0 HA LYS A 34 84.154 5.669 -18.377 1.00 6.05 H new ATOM 0 HB2 LYS A 34 83.490 7.118 -20.334 1.00 6.50 H new ATOM 0 HB3 LYS A 34 82.955 8.374 -19.235 1.00 6.50 H new ATOM 0 HG2 LYS A 34 85.109 9.080 -18.783 1.00 7.11 H new ATOM 0 HG3 LYS A 34 85.740 7.446 -18.724 1.00 7.11 H new ATOM 0 HD2 LYS A 34 84.909 7.945 -21.444 1.00 7.78 H new ATOM 0 HD3 LYS A 34 85.849 9.330 -20.925 1.00 7.78 H new ATOM 0 HE2 LYS A 34 87.701 7.800 -20.164 1.00 8.48 H new ATOM 0 HE3 LYS A 34 86.759 6.406 -20.658 1.00 8.48 H new ATOM 0 HZ1 LYS A 34 88.242 7.143 -22.454 1.00 8.80 H new ATOM 0 HZ2 LYS A 34 86.620 7.335 -22.918 1.00 8.80 H new ATOM 0 HZ3 LYS A 34 87.533 8.685 -22.440 1.00 8.80 H new ATOM 73 N ARG A 35 83.700 8.420 -16.748 1.00 4.75 N ATOM 74 CA ARG A 35 84.011 9.067 -15.438 1.00 4.32 C ATOM 75 C ARG A 35 82.842 8.916 -14.459 1.00 3.56 C ATOM 76 O ARG A 35 83.016 8.997 -13.260 1.00 3.96 O ATOM 77 CB ARG A 35 84.237 10.541 -15.773 1.00 4.91 C ATOM 78 CG ARG A 35 85.683 10.922 -15.452 1.00 5.45 C ATOM 79 CD ARG A 35 86.299 11.645 -16.651 1.00 6.35 C ATOM 80 NE ARG A 35 87.144 10.621 -17.325 1.00 7.05 N ATOM 81 CZ ARG A 35 88.324 10.944 -17.777 1.00 7.74 C ATOM 82 NH1 ARG A 35 88.445 11.493 -18.954 1.00 8.25 N ATOM 83 NH2 ARG A 35 89.385 10.717 -17.052 1.00 8.15 N ATOM 0 H ARG A 35 83.412 9.059 -17.489 1.00 4.75 H new ATOM 0 HA ARG A 35 84.877 8.612 -14.957 1.00 4.32 H new ATOM 0 HB2 ARG A 35 84.028 10.721 -16.827 1.00 4.91 H new ATOM 0 HB3 ARG A 35 83.550 11.164 -15.201 1.00 4.91 H new ATOM 0 HG2 ARG A 35 85.714 11.564 -14.572 1.00 5.45 H new ATOM 0 HG3 ARG A 35 86.262 10.029 -15.216 1.00 5.45 H new ATOM 0 HD2 ARG A 35 85.528 12.025 -17.322 1.00 6.35 H new ATOM 0 HD3 ARG A 35 86.894 12.501 -16.333 1.00 6.35 H new ATOM 0 HE ARG A 35 86.800 9.667 -17.433 1.00 7.05 H new ATOM 0 HH11 ARG A 35 87.616 11.670 -19.522 1.00 8.25 H new ATOM 0 HH12 ARG A 35 89.368 11.745 -19.307 1.00 8.25 H new ATOM 0 HH21 ARG A 35 89.291 10.287 -16.132 1.00 8.15 H new ATOM 0 HH22 ARG A 35 90.308 10.970 -17.406 1.00 8.15 H new ATOM 97 N ARG A 36 81.653 8.705 -14.955 1.00 2.90 N ATOM 98 CA ARG A 36 80.481 8.558 -14.041 1.00 2.57 C ATOM 99 C ARG A 36 80.855 7.688 -12.837 1.00 1.96 C ATOM 100 O ARG A 36 80.749 8.107 -11.701 1.00 2.42 O ATOM 101 CB ARG A 36 79.401 7.877 -14.880 1.00 3.18 C ATOM 102 CG ARG A 36 78.121 8.716 -14.842 1.00 3.80 C ATOM 103 CD ARG A 36 77.882 9.348 -16.214 1.00 4.63 C ATOM 104 NE ARG A 36 78.695 10.595 -16.211 1.00 5.32 N ATOM 105 CZ ARG A 36 78.602 11.437 -17.204 1.00 6.00 C ATOM 106 NH1 ARG A 36 79.257 11.215 -18.311 1.00 6.74 N ATOM 107 NH2 ARG A 36 77.855 12.500 -17.089 1.00 6.22 N ATOM 0 H ARG A 36 81.441 8.628 -15.950 1.00 2.90 H new ATOM 0 HA ARG A 36 80.144 9.517 -13.648 1.00 2.57 H new ATOM 0 HB2 ARG A 36 79.743 7.762 -15.909 1.00 3.18 H new ATOM 0 HB3 ARG A 36 79.204 6.876 -14.496 1.00 3.18 H new ATOM 0 HG2 ARG A 36 77.272 8.091 -14.565 1.00 3.80 H new ATOM 0 HG3 ARG A 36 78.206 9.493 -14.082 1.00 3.80 H new ATOM 0 HD2 ARG A 36 78.190 8.678 -17.016 1.00 4.63 H new ATOM 0 HD3 ARG A 36 76.825 9.566 -16.369 1.00 4.63 H new ATOM 0 HE ARG A 36 79.325 10.791 -15.433 1.00 5.32 H new ATOM 0 HH11 ARG A 36 79.841 10.384 -18.400 1.00 6.74 H new ATOM 0 HH12 ARG A 36 79.184 11.873 -19.087 1.00 6.74 H new ATOM 0 HH21 ARG A 36 77.344 12.673 -16.223 1.00 6.22 H new ATOM 0 HH22 ARG A 36 77.782 13.158 -17.865 1.00 6.22 H new ATOM 121 N ASN A 37 81.293 6.482 -13.076 1.00 1.44 N ATOM 122 CA ASN A 37 81.674 5.592 -11.942 1.00 1.02 C ATOM 123 C ASN A 37 82.645 6.321 -11.007 1.00 0.88 C ATOM 124 O ASN A 37 83.662 6.832 -11.431 1.00 1.68 O ATOM 125 CB ASN A 37 82.355 4.388 -12.594 1.00 1.39 C ATOM 126 CG ASN A 37 81.299 3.508 -13.265 1.00 2.13 C ATOM 127 OD1 ASN A 37 80.115 3.733 -13.109 1.00 2.74 O ATOM 128 ND2 ASN A 37 81.679 2.506 -14.010 1.00 2.85 N ATOM 0 H ASN A 37 81.403 6.075 -14.005 1.00 1.44 H new ATOM 0 HA ASN A 37 80.815 5.294 -11.340 1.00 1.02 H new ATOM 0 HB2 ASN A 37 83.085 4.724 -13.330 1.00 1.39 H new ATOM 0 HB3 ASN A 37 82.899 3.814 -11.844 1.00 1.39 H new ATOM 0 HD21 ASN A 37 80.982 1.913 -14.461 1.00 2.85 H new ATOM 0 HD22 ASN A 37 82.673 2.316 -14.142 1.00 2.85 H new ATOM 135 N THR A 38 82.335 6.377 -9.741 1.00 0.71 N ATOM 136 CA THR A 38 83.239 7.079 -8.783 1.00 0.64 C ATOM 137 C THR A 38 83.944 6.072 -7.873 1.00 0.81 C ATOM 138 O THR A 38 84.692 6.436 -6.988 1.00 1.67 O ATOM 139 CB THR A 38 82.324 7.988 -7.963 1.00 0.91 C ATOM 140 OG1 THR A 38 80.966 7.657 -8.222 1.00 1.19 O ATOM 141 CG2 THR A 38 82.576 9.448 -8.343 1.00 1.50 C ATOM 0 H THR A 38 81.497 5.968 -9.328 1.00 0.71 H new ATOM 0 HA THR A 38 84.020 7.640 -9.297 1.00 0.64 H new ATOM 0 HB THR A 38 82.534 7.849 -6.903 1.00 0.91 H new ATOM 0 HG1 THR A 38 80.618 8.236 -8.932 1.00 1.19 H new ATOM 0 HG21 THR A 38 81.923 10.094 -7.757 1.00 1.50 H new ATOM 0 HG22 THR A 38 83.616 9.703 -8.139 1.00 1.50 H new ATOM 0 HG23 THR A 38 82.369 9.589 -9.404 1.00 1.50 H new ATOM 149 N ILE A 39 83.707 4.812 -8.085 1.00 0.40 N ATOM 150 CA ILE A 39 84.357 3.773 -7.236 1.00 0.42 C ATOM 151 C ILE A 39 85.882 3.937 -7.249 1.00 0.45 C ATOM 152 O ILE A 39 86.579 3.385 -6.421 1.00 0.89 O ATOM 153 CB ILE A 39 83.959 2.442 -7.872 1.00 0.48 C ATOM 154 CG1 ILE A 39 84.583 1.293 -7.078 1.00 0.59 C ATOM 155 CG2 ILE A 39 84.464 2.395 -9.315 1.00 0.63 C ATOM 156 CD1 ILE A 39 83.648 0.084 -7.111 1.00 0.69 C ATOM 0 H ILE A 39 83.089 4.452 -8.812 1.00 0.40 H new ATOM 0 HA ILE A 39 84.045 3.844 -6.194 1.00 0.42 H new ATOM 0 HB ILE A 39 82.873 2.345 -7.863 1.00 0.48 H new ATOM 0 HG12 ILE A 39 85.552 1.028 -7.501 1.00 0.59 H new ATOM 0 HG13 ILE A 39 84.759 1.602 -6.048 1.00 0.59 H new ATOM 0 HG21 ILE A 39 84.180 1.446 -9.769 1.00 0.63 H new ATOM 0 HG22 ILE A 39 84.022 3.215 -9.882 1.00 0.63 H new ATOM 0 HG23 ILE A 39 85.550 2.491 -9.324 1.00 0.63 H new ATOM 0 HD11 ILE A 39 84.092 -0.735 -6.545 1.00 0.69 H new ATOM 0 HD12 ILE A 39 82.689 0.353 -6.668 1.00 0.69 H new ATOM 0 HD13 ILE A 39 83.495 -0.229 -8.144 1.00 0.69 H new ATOM 168 N HIS A 40 86.408 4.687 -8.181 1.00 0.40 N ATOM 169 CA HIS A 40 87.888 4.872 -8.238 1.00 0.41 C ATOM 170 C HIS A 40 88.339 5.917 -7.215 1.00 0.38 C ATOM 171 O HIS A 40 89.487 6.313 -7.180 1.00 0.46 O ATOM 172 CB HIS A 40 88.175 5.352 -9.661 1.00 0.52 C ATOM 173 CG HIS A 40 87.590 4.378 -10.647 1.00 1.20 C ATOM 174 ND1 HIS A 40 88.044 3.073 -10.755 1.00 2.04 N ATOM 175 CD2 HIS A 40 86.587 4.505 -11.576 1.00 1.92 C ATOM 176 CE1 HIS A 40 87.323 2.471 -11.718 1.00 2.85 C ATOM 177 NE2 HIS A 40 86.420 3.299 -12.252 1.00 2.82 N ATOM 0 H HIS A 40 85.880 5.178 -8.902 1.00 0.40 H new ATOM 0 HA HIS A 40 88.424 3.953 -8.002 1.00 0.41 H new ATOM 0 HB2 HIS A 40 87.747 6.343 -9.815 1.00 0.52 H new ATOM 0 HB3 HIS A 40 89.250 5.441 -9.816 1.00 0.52 H new ATOM 0 HD2 HIS A 40 86.015 5.403 -11.755 1.00 1.92 H new ATOM 0 HE1 HIS A 40 87.457 1.444 -12.023 1.00 2.85 H new ATOM 0 HE2 HIS A 40 85.752 3.092 -12.995 1.00 2.82 H new ATOM 185 N GLU A 41 87.446 6.359 -6.378 1.00 0.34 N ATOM 186 CA GLU A 41 87.817 7.371 -5.347 1.00 0.35 C ATOM 187 C GLU A 41 87.657 6.759 -3.956 1.00 0.30 C ATOM 188 O GLU A 41 87.990 7.360 -2.953 1.00 0.33 O ATOM 189 CB GLU A 41 86.834 8.533 -5.531 1.00 0.42 C ATOM 190 CG GLU A 41 86.539 8.737 -7.018 1.00 0.45 C ATOM 191 CD GLU A 41 85.405 9.750 -7.181 1.00 0.53 C ATOM 192 OE1 GLU A 41 84.673 9.950 -6.225 1.00 1.22 O ATOM 193 OE2 GLU A 41 85.287 10.310 -8.259 1.00 1.18 O ATOM 0 H GLU A 41 86.470 6.063 -6.361 1.00 0.34 H new ATOM 0 HA GLU A 41 88.850 7.704 -5.450 1.00 0.35 H new ATOM 0 HB2 GLU A 41 85.909 8.326 -4.993 1.00 0.42 H new ATOM 0 HB3 GLU A 41 87.253 9.445 -5.106 1.00 0.42 H new ATOM 0 HG2 GLU A 41 87.433 9.091 -7.531 1.00 0.45 H new ATOM 0 HG3 GLU A 41 86.262 7.788 -7.478 1.00 0.45 H new ATOM 200 N PHE A 42 87.138 5.564 -3.894 1.00 0.25 N ATOM 201 CA PHE A 42 86.937 4.897 -2.575 1.00 0.22 C ATOM 202 C PHE A 42 88.110 3.969 -2.253 1.00 0.20 C ATOM 203 O PHE A 42 88.830 3.534 -3.131 1.00 0.23 O ATOM 204 CB PHE A 42 85.663 4.066 -2.749 1.00 0.22 C ATOM 205 CG PHE A 42 84.469 4.971 -2.939 1.00 0.37 C ATOM 206 CD1 PHE A 42 84.274 5.625 -4.161 1.00 0.51 C ATOM 207 CD2 PHE A 42 83.550 5.144 -1.897 1.00 0.51 C ATOM 208 CE1 PHE A 42 83.161 6.455 -4.340 1.00 0.68 C ATOM 209 CE2 PHE A 42 82.436 5.972 -2.077 1.00 0.68 C ATOM 210 CZ PHE A 42 82.241 6.628 -3.298 1.00 0.74 C ATOM 0 H PHE A 42 86.843 5.018 -4.703 1.00 0.25 H new ATOM 0 HA PHE A 42 86.866 5.621 -1.763 1.00 0.22 H new ATOM 0 HB2 PHE A 42 85.767 3.404 -3.609 1.00 0.22 H new ATOM 0 HB3 PHE A 42 85.512 3.432 -1.875 1.00 0.22 H new ATOM 0 HD1 PHE A 42 84.982 5.489 -4.965 1.00 0.51 H new ATOM 0 HD2 PHE A 42 83.701 4.639 -0.955 1.00 0.51 H new ATOM 0 HE1 PHE A 42 83.012 6.962 -5.282 1.00 0.68 H new ATOM 0 HE2 PHE A 42 81.727 6.105 -1.274 1.00 0.68 H new ATOM 0 HZ PHE A 42 81.382 7.267 -3.437 1.00 0.74 H new ATOM 220 N LYS A 43 88.288 3.633 -1.003 1.00 0.23 N ATOM 221 CA LYS A 43 89.388 2.702 -0.636 1.00 0.25 C ATOM 222 C LYS A 43 88.936 1.283 -0.977 1.00 0.29 C ATOM 223 O LYS A 43 87.995 0.768 -0.403 1.00 0.39 O ATOM 224 CB LYS A 43 89.572 2.865 0.873 1.00 0.34 C ATOM 225 CG LYS A 43 91.060 2.788 1.218 1.00 0.60 C ATOM 226 CD LYS A 43 91.361 1.445 1.888 1.00 1.17 C ATOM 227 CE LYS A 43 92.309 1.664 3.068 1.00 1.27 C ATOM 228 NZ LYS A 43 93.333 0.591 2.943 1.00 1.78 N ATOM 0 H LYS A 43 87.719 3.964 -0.224 1.00 0.23 H new ATOM 0 HA LYS A 43 90.321 2.902 -1.163 1.00 0.25 H new ATOM 0 HB2 LYS A 43 89.162 3.821 1.199 1.00 0.34 H new ATOM 0 HB3 LYS A 43 89.024 2.086 1.403 1.00 0.34 H new ATOM 0 HG2 LYS A 43 91.660 2.898 0.314 1.00 0.60 H new ATOM 0 HG3 LYS A 43 91.333 3.607 1.883 1.00 0.60 H new ATOM 0 HD2 LYS A 43 90.436 0.983 2.232 1.00 1.17 H new ATOM 0 HD3 LYS A 43 91.811 0.761 1.169 1.00 1.17 H new ATOM 0 HE2 LYS A 43 92.766 2.653 3.029 1.00 1.27 H new ATOM 0 HE3 LYS A 43 91.779 1.595 4.018 1.00 1.27 H new ATOM 0 HZ1 LYS A 43 94.020 0.675 3.719 1.00 1.78 H new ATOM 0 HZ2 LYS A 43 92.869 -0.339 2.991 1.00 1.78 H new ATOM 0 HZ3 LYS A 43 93.826 0.686 2.032 1.00 1.78 H new ATOM 242 N LYS A 44 89.570 0.668 -1.934 1.00 0.33 N ATOM 243 CA LYS A 44 89.150 -0.701 -2.350 1.00 0.41 C ATOM 244 C LYS A 44 89.792 -1.786 -1.481 1.00 0.30 C ATOM 245 O LYS A 44 90.998 -1.916 -1.413 1.00 0.34 O ATOM 246 CB LYS A 44 89.624 -0.832 -3.797 1.00 0.59 C ATOM 247 CG LYS A 44 89.288 -2.232 -4.310 1.00 0.52 C ATOM 248 CD LYS A 44 87.784 -2.338 -4.532 1.00 0.73 C ATOM 249 CE LYS A 44 87.141 -2.849 -3.249 1.00 0.82 C ATOM 250 NZ LYS A 44 86.183 -3.901 -3.686 1.00 1.37 N ATOM 0 H LYS A 44 90.362 1.053 -2.448 1.00 0.33 H new ATOM 0 HA LYS A 44 88.073 -0.833 -2.243 1.00 0.41 H new ATOM 0 HB2 LYS A 44 89.143 -0.078 -4.420 1.00 0.59 H new ATOM 0 HB3 LYS A 44 90.698 -0.657 -3.858 1.00 0.59 H new ATOM 0 HG2 LYS A 44 89.820 -2.428 -5.241 1.00 0.52 H new ATOM 0 HG3 LYS A 44 89.615 -2.984 -3.592 1.00 0.52 H new ATOM 0 HD2 LYS A 44 87.371 -1.366 -4.801 1.00 0.73 H new ATOM 0 HD3 LYS A 44 87.570 -3.015 -5.359 1.00 0.73 H new ATOM 0 HE2 LYS A 44 87.889 -3.256 -2.568 1.00 0.82 H new ATOM 0 HE3 LYS A 44 86.629 -2.046 -2.718 1.00 0.82 H new ATOM 0 HZ1 LYS A 44 86.011 -4.561 -2.901 1.00 1.37 H new ATOM 0 HZ2 LYS A 44 85.286 -3.458 -3.969 1.00 1.37 H new ATOM 0 HZ3 LYS A 44 86.582 -4.420 -4.494 1.00 1.37 H new ATOM 264 N SER A 45 88.981 -2.582 -0.839 1.00 0.25 N ATOM 265 CA SER A 45 89.514 -3.686 0.006 1.00 0.23 C ATOM 266 C SER A 45 88.611 -4.916 -0.146 1.00 0.22 C ATOM 267 O SER A 45 87.715 -5.142 0.642 1.00 0.27 O ATOM 268 CB SER A 45 89.474 -3.154 1.438 1.00 0.28 C ATOM 269 OG SER A 45 90.791 -2.817 1.851 1.00 0.83 O ATOM 0 H SER A 45 87.964 -2.513 -0.865 1.00 0.25 H new ATOM 0 HA SER A 45 90.524 -3.984 -0.275 1.00 0.23 H new ATOM 0 HB2 SER A 45 88.828 -2.278 1.495 1.00 0.28 H new ATOM 0 HB3 SER A 45 89.052 -3.905 2.106 1.00 0.28 H new ATOM 0 HG SER A 45 90.768 -2.474 2.769 1.00 0.83 H new ATOM 275 N ALA A 46 88.830 -5.704 -1.165 1.00 0.21 N ATOM 276 CA ALA A 46 87.976 -6.912 -1.378 1.00 0.22 C ATOM 277 C ALA A 46 88.149 -7.899 -0.221 1.00 0.24 C ATOM 278 O ALA A 46 89.101 -7.825 0.529 1.00 0.27 O ATOM 279 CB ALA A 46 88.481 -7.526 -2.684 1.00 0.27 C ATOM 0 H ALA A 46 89.563 -5.564 -1.860 1.00 0.21 H new ATOM 0 HA ALA A 46 86.916 -6.663 -1.424 1.00 0.22 H new ATOM 0 HB1 ALA A 46 87.903 -8.422 -2.912 1.00 0.27 H new ATOM 0 HB2 ALA A 46 88.367 -6.805 -3.493 1.00 0.27 H new ATOM 0 HB3 ALA A 46 89.533 -7.790 -2.579 1.00 0.27 H new ATOM 285 N LYS A 47 87.242 -8.831 -0.072 1.00 0.26 N ATOM 286 CA LYS A 47 87.380 -9.816 1.038 1.00 0.32 C ATOM 287 C LYS A 47 87.349 -9.074 2.368 1.00 0.32 C ATOM 288 O LYS A 47 87.853 -9.534 3.372 1.00 0.46 O ATOM 289 CB LYS A 47 88.744 -10.468 0.828 1.00 0.36 C ATOM 290 CG LYS A 47 89.064 -10.545 -0.666 1.00 0.41 C ATOM 291 CD LYS A 47 89.669 -11.911 -0.992 1.00 0.58 C ATOM 292 CE LYS A 47 88.627 -12.773 -1.708 1.00 0.81 C ATOM 293 NZ LYS A 47 89.418 -13.790 -2.456 1.00 1.20 N ATOM 0 H LYS A 47 86.421 -8.951 -0.665 1.00 0.26 H new ATOM 0 HA LYS A 47 86.579 -10.555 1.047 1.00 0.32 H new ATOM 0 HB2 LYS A 47 89.514 -9.894 1.344 1.00 0.36 H new ATOM 0 HB3 LYS A 47 88.748 -11.468 1.261 1.00 0.36 H new ATOM 0 HG2 LYS A 47 88.157 -10.389 -1.251 1.00 0.41 H new ATOM 0 HG3 LYS A 47 89.761 -9.753 -0.940 1.00 0.41 H new ATOM 0 HD2 LYS A 47 90.550 -11.789 -1.622 1.00 0.58 H new ATOM 0 HD3 LYS A 47 89.997 -12.403 -0.076 1.00 0.58 H new ATOM 0 HE2 LYS A 47 87.949 -13.245 -0.997 1.00 0.81 H new ATOM 0 HE3 LYS A 47 88.015 -12.174 -2.383 1.00 0.81 H new ATOM 0 HZ1 LYS A 47 88.772 -14.420 -2.974 1.00 1.20 H new ATOM 0 HZ2 LYS A 47 90.049 -13.312 -3.130 1.00 1.20 H new ATOM 0 HZ3 LYS A 47 89.985 -14.349 -1.787 1.00 1.20 H new ATOM 307 N THR A 48 86.770 -7.916 2.362 1.00 0.22 N ATOM 308 CA THR A 48 86.698 -7.099 3.608 1.00 0.22 C ATOM 309 C THR A 48 85.442 -6.227 3.620 1.00 0.21 C ATOM 310 O THR A 48 85.140 -5.536 2.667 1.00 0.28 O ATOM 311 CB THR A 48 87.939 -6.210 3.569 1.00 0.25 C ATOM 312 OG1 THR A 48 89.098 -6.999 3.799 1.00 0.30 O ATOM 313 CG2 THR A 48 87.829 -5.129 4.645 1.00 0.31 C ATOM 0 H THR A 48 86.337 -7.490 1.542 1.00 0.22 H new ATOM 0 HA THR A 48 86.657 -7.729 4.497 1.00 0.22 H new ATOM 0 HB THR A 48 88.015 -5.737 2.590 1.00 0.25 H new ATOM 0 HG1 THR A 48 89.894 -6.427 3.772 1.00 0.30 H new ATOM 0 HG21 THR A 48 88.715 -4.495 4.616 1.00 0.31 H new ATOM 0 HG22 THR A 48 86.943 -4.522 4.461 1.00 0.31 H new ATOM 0 HG23 THR A 48 87.750 -5.598 5.626 1.00 0.31 H new ATOM 321 N THR A 49 84.728 -6.235 4.707 1.00 0.20 N ATOM 322 CA THR A 49 83.510 -5.389 4.813 1.00 0.22 C ATOM 323 C THR A 49 83.520 -4.689 6.178 1.00 0.24 C ATOM 324 O THR A 49 84.498 -4.748 6.896 1.00 0.41 O ATOM 325 CB THR A 49 82.327 -6.354 4.675 1.00 0.24 C ATOM 326 OG1 THR A 49 81.156 -5.618 4.353 1.00 0.29 O ATOM 327 CG2 THR A 49 82.112 -7.106 5.987 1.00 0.25 C ATOM 0 H THR A 49 84.937 -6.795 5.533 1.00 0.20 H new ATOM 0 HA THR A 49 83.453 -4.612 4.051 1.00 0.22 H new ATOM 0 HB THR A 49 82.539 -7.073 3.883 1.00 0.24 H new ATOM 0 HG1 THR A 49 80.398 -6.232 4.262 1.00 0.29 H new ATOM 0 HG21 THR A 49 81.270 -7.790 5.881 1.00 0.25 H new ATOM 0 HG22 THR A 49 83.010 -7.672 6.233 1.00 0.25 H new ATOM 0 HG23 THR A 49 81.902 -6.393 6.785 1.00 0.25 H new ATOM 335 N LEU A 50 82.467 -4.016 6.545 1.00 0.22 N ATOM 336 CA LEU A 50 82.475 -3.316 7.867 1.00 0.24 C ATOM 337 C LEU A 50 81.134 -3.472 8.591 1.00 0.27 C ATOM 338 O LEU A 50 80.138 -3.853 8.008 1.00 0.33 O ATOM 339 CB LEU A 50 82.726 -1.846 7.530 1.00 0.26 C ATOM 340 CG LEU A 50 84.080 -1.396 8.093 1.00 0.31 C ATOM 341 CD1 LEU A 50 84.935 -0.841 6.954 1.00 0.46 C ATOM 342 CD2 LEU A 50 83.852 -0.301 9.137 1.00 0.42 C ATOM 0 H LEU A 50 81.611 -3.918 5.999 1.00 0.22 H new ATOM 0 HA LEU A 50 83.232 -3.730 8.534 1.00 0.24 H new ATOM 0 HB2 LEU A 50 82.709 -1.705 6.449 1.00 0.26 H new ATOM 0 HB3 LEU A 50 81.929 -1.229 7.945 1.00 0.26 H new ATOM 0 HG LEU A 50 84.589 -2.242 8.556 1.00 0.31 H new ATOM 0 HD11 LEU A 50 85.899 -0.519 7.347 1.00 0.46 H new ATOM 0 HD12 LEU A 50 85.089 -1.616 6.204 1.00 0.46 H new ATOM 0 HD13 LEU A 50 84.427 0.009 6.498 1.00 0.46 H new ATOM 0 HD21 LEU A 50 84.812 0.022 9.540 1.00 0.42 H new ATOM 0 HD22 LEU A 50 83.350 0.547 8.671 1.00 0.42 H new ATOM 0 HD23 LEU A 50 83.232 -0.691 9.944 1.00 0.42 H new ATOM 354 N ILE A 51 81.107 -3.167 9.863 1.00 0.32 N ATOM 355 CA ILE A 51 79.832 -3.281 10.641 1.00 0.38 C ATOM 356 C ILE A 51 79.481 -1.925 11.260 1.00 0.33 C ATOM 357 O ILE A 51 79.753 -0.883 10.697 1.00 0.36 O ATOM 358 CB ILE A 51 80.079 -4.300 11.764 1.00 0.44 C ATOM 359 CG1 ILE A 51 81.263 -5.210 11.436 1.00 0.46 C ATOM 360 CG2 ILE A 51 78.827 -5.160 11.945 1.00 0.55 C ATOM 361 CD1 ILE A 51 81.361 -6.294 12.507 1.00 0.85 C ATOM 0 H ILE A 51 81.912 -2.843 10.399 1.00 0.32 H new ATOM 0 HA ILE A 51 79.011 -3.594 9.995 1.00 0.38 H new ATOM 0 HB ILE A 51 80.306 -3.753 12.679 1.00 0.44 H new ATOM 0 HG12 ILE A 51 81.131 -5.662 10.453 1.00 0.46 H new ATOM 0 HG13 ILE A 51 82.186 -4.631 11.400 1.00 0.46 H new ATOM 0 HG21 ILE A 51 78.996 -5.885 12.741 1.00 0.55 H new ATOM 0 HG22 ILE A 51 77.983 -4.523 12.208 1.00 0.55 H new ATOM 0 HG23 ILE A 51 78.609 -5.686 11.015 1.00 0.55 H new ATOM 0 HD11 ILE A 51 82.202 -6.950 12.284 1.00 0.85 H new ATOM 0 HD12 ILE A 51 81.511 -5.830 13.482 1.00 0.85 H new ATOM 0 HD13 ILE A 51 80.440 -6.877 12.520 1.00 0.85 H new ATOM 373 N LYS A 52 78.894 -1.934 12.428 1.00 0.31 N ATOM 374 CA LYS A 52 78.541 -0.654 13.102 1.00 0.31 C ATOM 375 C LYS A 52 78.110 -0.926 14.548 1.00 0.29 C ATOM 376 O LYS A 52 77.420 -1.884 14.835 1.00 0.40 O ATOM 377 CB LYS A 52 77.409 -0.041 12.261 1.00 0.45 C ATOM 378 CG LYS A 52 76.062 -0.696 12.579 1.00 0.61 C ATOM 379 CD LYS A 52 75.822 -1.867 11.626 1.00 0.89 C ATOM 380 CE LYS A 52 76.482 -3.127 12.186 1.00 1.74 C ATOM 381 NZ LYS A 52 75.484 -4.212 11.974 1.00 2.07 N ATOM 0 H LYS A 52 78.644 -2.777 12.944 1.00 0.31 H new ATOM 0 HA LYS A 52 79.383 0.035 13.163 1.00 0.31 H new ATOM 0 HB2 LYS A 52 77.349 1.030 12.453 1.00 0.45 H new ATOM 0 HB3 LYS A 52 77.634 -0.162 11.201 1.00 0.45 H new ATOM 0 HG2 LYS A 52 76.051 -1.046 13.611 1.00 0.61 H new ATOM 0 HG3 LYS A 52 75.259 0.035 12.482 1.00 0.61 H new ATOM 0 HD2 LYS A 52 74.752 -2.031 11.497 1.00 0.89 H new ATOM 0 HD3 LYS A 52 76.230 -1.637 10.642 1.00 0.89 H new ATOM 0 HE2 LYS A 52 77.417 -3.345 11.670 1.00 1.74 H new ATOM 0 HE3 LYS A 52 76.720 -3.011 13.243 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 75.866 -5.110 12.334 1.00 2.07 H new ATOM 0 HZ2 LYS A 52 74.606 -3.981 12.482 1.00 2.07 H new ATOM 0 HZ3 LYS A 52 75.282 -4.304 10.958 1.00 2.07 H new ATOM 395 N ILE A 53 78.534 -0.107 15.468 1.00 0.30 N ATOM 396 CA ILE A 53 78.158 -0.340 16.894 1.00 0.35 C ATOM 397 C ILE A 53 77.761 0.968 17.580 1.00 0.36 C ATOM 398 O ILE A 53 77.279 0.976 18.695 1.00 0.43 O ATOM 399 CB ILE A 53 79.411 -0.920 17.546 1.00 0.40 C ATOM 400 CG1 ILE A 53 80.053 -1.949 16.611 1.00 0.43 C ATOM 401 CG2 ILE A 53 79.029 -1.601 18.861 1.00 0.50 C ATOM 402 CD1 ILE A 53 81.131 -2.725 17.369 1.00 0.49 C ATOM 0 H ILE A 53 79.121 0.710 15.299 1.00 0.30 H new ATOM 0 HA ILE A 53 77.300 -1.007 16.978 1.00 0.35 H new ATOM 0 HB ILE A 53 80.121 -0.116 17.740 1.00 0.40 H new ATOM 0 HG12 ILE A 53 79.295 -2.635 16.232 1.00 0.43 H new ATOM 0 HG13 ILE A 53 80.490 -1.448 15.747 1.00 0.43 H new ATOM 0 HG21 ILE A 53 79.922 -2.016 19.329 1.00 0.50 H new ATOM 0 HG22 ILE A 53 78.575 -0.871 19.531 1.00 0.50 H new ATOM 0 HG23 ILE A 53 78.318 -2.403 18.662 1.00 0.50 H new ATOM 0 HD11 ILE A 53 81.588 -3.457 16.703 1.00 0.49 H new ATOM 0 HD12 ILE A 53 81.894 -2.033 17.726 1.00 0.49 H new ATOM 0 HD13 ILE A 53 80.680 -3.238 18.219 1.00 0.49 H new ATOM 414 N ASP A 54 77.959 2.067 16.922 1.00 0.34 N ATOM 415 CA ASP A 54 77.595 3.379 17.528 1.00 0.40 C ATOM 416 C ASP A 54 76.103 3.662 17.312 1.00 0.45 C ATOM 417 O ASP A 54 75.526 3.215 16.341 1.00 0.44 O ATOM 418 CB ASP A 54 78.454 4.406 16.789 1.00 0.36 C ATOM 419 CG ASP A 54 79.128 5.333 17.802 1.00 0.54 C ATOM 420 OD1 ASP A 54 79.178 4.969 18.966 1.00 1.22 O ATOM 421 OD2 ASP A 54 79.583 6.390 17.398 1.00 1.29 O ATOM 0 H ASP A 54 78.359 2.119 15.985 1.00 0.34 H new ATOM 0 HA ASP A 54 77.769 3.404 18.604 1.00 0.40 H new ATOM 0 HB2 ASP A 54 79.208 3.899 16.187 1.00 0.36 H new ATOM 0 HB3 ASP A 54 77.836 4.987 16.104 1.00 0.36 H new ATOM 426 N PRO A 55 75.524 4.395 18.230 1.00 0.57 N ATOM 427 CA PRO A 55 74.090 4.737 18.143 1.00 0.67 C ATOM 428 C PRO A 55 73.799 5.565 16.889 1.00 0.60 C ATOM 429 O PRO A 55 72.756 5.438 16.279 1.00 0.72 O ATOM 430 CB PRO A 55 73.868 5.557 19.411 1.00 0.80 C ATOM 431 CG PRO A 55 75.183 5.646 20.185 1.00 0.80 C ATOM 432 CD PRO A 55 76.264 4.921 19.395 1.00 0.65 C ATOM 0 HA PRO A 55 73.437 3.867 18.071 1.00 0.67 H new ATOM 0 HB2 PRO A 55 73.513 6.556 19.156 1.00 0.80 H new ATOM 0 HB3 PRO A 55 73.099 5.094 20.029 1.00 0.80 H new ATOM 0 HG2 PRO A 55 75.462 6.689 20.338 1.00 0.80 H new ATOM 0 HG3 PRO A 55 75.072 5.198 21.172 1.00 0.80 H new ATOM 0 HD2 PRO A 55 77.065 5.596 19.094 1.00 0.65 H new ATOM 0 HD3 PRO A 55 76.722 4.122 19.977 1.00 0.65 H new ATOM 440 N ALA A 56 74.709 6.416 16.503 1.00 0.53 N ATOM 441 CA ALA A 56 74.478 7.254 15.292 1.00 0.51 C ATOM 442 C ALA A 56 75.211 6.666 14.082 1.00 0.48 C ATOM 443 O ALA A 56 75.778 7.383 13.282 1.00 0.76 O ATOM 444 CB ALA A 56 75.049 8.627 15.647 1.00 0.55 C ATOM 0 H ALA A 56 75.602 6.568 16.973 1.00 0.53 H new ATOM 0 HA ALA A 56 73.422 7.304 15.025 1.00 0.51 H new ATOM 0 HB1 ALA A 56 74.917 9.305 14.804 1.00 0.55 H new ATOM 0 HB2 ALA A 56 74.526 9.025 16.517 1.00 0.55 H new ATOM 0 HB3 ALA A 56 76.111 8.532 15.874 1.00 0.55 H new ATOM 450 N LEU A 57 75.204 5.369 13.938 1.00 0.44 N ATOM 451 CA LEU A 57 75.900 4.748 12.775 1.00 0.39 C ATOM 452 C LEU A 57 75.085 3.572 12.226 1.00 0.42 C ATOM 453 O LEU A 57 74.914 2.560 12.875 1.00 0.80 O ATOM 454 CB LEU A 57 77.230 4.249 13.322 1.00 0.34 C ATOM 455 CG LEU A 57 78.376 4.733 12.430 1.00 0.39 C ATOM 456 CD1 LEU A 57 78.806 6.143 12.846 1.00 0.57 C ATOM 457 CD2 LEU A 57 79.564 3.779 12.571 1.00 0.73 C ATOM 0 H LEU A 57 74.748 4.714 14.573 1.00 0.44 H new ATOM 0 HA LEU A 57 76.031 5.458 11.958 1.00 0.39 H new ATOM 0 HB2 LEU A 57 77.373 4.611 14.340 1.00 0.34 H new ATOM 0 HB3 LEU A 57 77.228 3.160 13.368 1.00 0.34 H new ATOM 0 HG LEU A 57 78.038 4.754 11.394 1.00 0.39 H new ATOM 0 HD11 LEU A 57 79.622 6.478 12.206 1.00 0.57 H new ATOM 0 HD12 LEU A 57 77.962 6.825 12.746 1.00 0.57 H new ATOM 0 HD13 LEU A 57 79.141 6.130 13.883 1.00 0.57 H new ATOM 0 HD21 LEU A 57 80.382 4.121 11.937 1.00 0.73 H new ATOM 0 HD22 LEU A 57 79.894 3.759 13.610 1.00 0.73 H new ATOM 0 HD23 LEU A 57 79.264 2.776 12.267 1.00 0.73 H new ATOM 469 N LYS A 58 74.582 3.711 11.037 1.00 0.29 N ATOM 470 CA LYS A 58 73.774 2.635 10.415 1.00 0.27 C ATOM 471 C LYS A 58 74.365 2.274 9.048 1.00 0.24 C ATOM 472 O LYS A 58 75.533 2.478 8.803 1.00 0.24 O ATOM 473 CB LYS A 58 72.407 3.281 10.253 1.00 0.31 C ATOM 474 CG LYS A 58 71.571 3.028 11.505 1.00 0.35 C ATOM 475 CD LYS A 58 71.276 1.532 11.631 1.00 0.74 C ATOM 476 CE LYS A 58 70.287 1.301 12.775 1.00 1.55 C ATOM 477 NZ LYS A 58 69.473 0.128 12.349 1.00 1.95 N ATOM 0 H LYS A 58 74.700 4.543 10.458 1.00 0.29 H new ATOM 0 HA LYS A 58 73.742 1.714 10.998 1.00 0.27 H new ATOM 0 HB2 LYS A 58 72.517 4.353 10.087 1.00 0.31 H new ATOM 0 HB3 LYS A 58 71.902 2.873 9.377 1.00 0.31 H new ATOM 0 HG2 LYS A 58 72.105 3.379 12.388 1.00 0.35 H new ATOM 0 HG3 LYS A 58 70.638 3.590 11.452 1.00 0.35 H new ATOM 0 HD2 LYS A 58 70.863 1.152 10.697 1.00 0.74 H new ATOM 0 HD3 LYS A 58 72.199 0.983 11.818 1.00 0.74 H new ATOM 0 HE2 LYS A 58 70.807 1.101 13.712 1.00 1.55 H new ATOM 0 HE3 LYS A 58 69.661 2.178 12.938 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 68.770 -0.092 13.084 1.00 1.95 H new ATOM 0 HZ2 LYS A 58 68.984 0.350 11.458 1.00 1.95 H new ATOM 0 HZ3 LYS A 58 70.095 -0.693 12.208 1.00 1.95 H new ATOM 491 N ILE A 59 73.571 1.751 8.151 1.00 0.23 N ATOM 492 CA ILE A 59 74.094 1.401 6.801 1.00 0.21 C ATOM 493 C ILE A 59 72.950 1.364 5.792 1.00 0.21 C ATOM 494 O ILE A 59 71.838 1.767 6.070 1.00 0.25 O ATOM 495 CB ILE A 59 74.683 -0.012 6.877 1.00 0.21 C ATOM 496 CG1 ILE A 59 74.743 -0.555 8.306 1.00 0.29 C ATOM 497 CG2 ILE A 59 76.091 -0.018 6.288 1.00 0.26 C ATOM 498 CD1 ILE A 59 74.758 -2.081 8.222 1.00 0.31 C ATOM 0 H ILE A 59 72.581 1.551 8.297 1.00 0.23 H new ATOM 0 HA ILE A 59 74.837 2.138 6.496 1.00 0.21 H new ATOM 0 HB ILE A 59 74.019 -0.659 6.304 1.00 0.21 H new ATOM 0 HG12 ILE A 59 75.635 -0.191 8.816 1.00 0.29 H new ATOM 0 HG13 ILE A 59 73.884 -0.212 8.882 1.00 0.29 H new ATOM 0 HG21 ILE A 59 76.505 -1.025 6.345 1.00 0.26 H new ATOM 0 HG22 ILE A 59 76.051 0.300 5.246 1.00 0.26 H new ATOM 0 HG23 ILE A 59 76.724 0.667 6.852 1.00 0.26 H new ATOM 0 HD11 ILE A 59 74.801 -2.500 9.227 1.00 0.31 H new ATOM 0 HD12 ILE A 59 73.853 -2.427 7.723 1.00 0.31 H new ATOM 0 HD13 ILE A 59 75.631 -2.406 7.656 1.00 0.31 H new ATOM 510 N LYS A 60 73.221 0.840 4.632 1.00 0.18 N ATOM 511 CA LYS A 60 72.167 0.713 3.591 1.00 0.19 C ATOM 512 C LYS A 60 72.475 -0.512 2.730 1.00 0.18 C ATOM 513 O LYS A 60 73.621 -0.839 2.503 1.00 0.21 O ATOM 514 CB LYS A 60 72.241 1.995 2.767 1.00 0.21 C ATOM 515 CG LYS A 60 71.060 2.035 1.797 1.00 0.27 C ATOM 516 CD LYS A 60 69.940 2.890 2.391 1.00 0.56 C ATOM 517 CE LYS A 60 70.383 4.354 2.439 1.00 1.06 C ATOM 518 NZ LYS A 60 69.332 5.047 3.235 1.00 1.65 N ATOM 0 H LYS A 60 74.139 0.490 4.358 1.00 0.18 H new ATOM 0 HA LYS A 60 71.169 0.584 4.010 1.00 0.19 H new ATOM 0 HB2 LYS A 60 72.219 2.865 3.423 1.00 0.21 H new ATOM 0 HB3 LYS A 60 73.181 2.035 2.217 1.00 0.21 H new ATOM 0 HG2 LYS A 60 71.377 2.447 0.839 1.00 0.27 H new ATOM 0 HG3 LYS A 60 70.698 1.025 1.606 1.00 0.27 H new ATOM 0 HD2 LYS A 60 69.036 2.792 1.790 1.00 0.56 H new ATOM 0 HD3 LYS A 60 69.695 2.541 3.394 1.00 0.56 H new ATOM 0 HE2 LYS A 60 71.363 4.455 2.906 1.00 1.06 H new ATOM 0 HE3 LYS A 60 70.462 4.776 1.437 1.00 1.06 H new ATOM 0 HZ1 LYS A 60 69.364 6.068 3.038 1.00 1.65 H new ATOM 0 HZ2 LYS A 60 68.397 4.673 2.975 1.00 1.65 H new ATOM 0 HZ3 LYS A 60 69.500 4.885 4.248 1.00 1.65 H new ATOM 532 N THR A 61 71.475 -1.206 2.262 1.00 0.20 N ATOM 533 CA THR A 61 71.753 -2.420 1.438 1.00 0.23 C ATOM 534 C THR A 61 70.812 -2.512 0.236 1.00 0.23 C ATOM 535 O THR A 61 69.641 -2.198 0.316 1.00 0.27 O ATOM 536 CB THR A 61 71.515 -3.603 2.379 1.00 0.30 C ATOM 537 OG1 THR A 61 70.630 -3.211 3.418 1.00 0.33 O ATOM 538 CG2 THR A 61 72.843 -4.057 2.982 1.00 0.41 C ATOM 0 H THR A 61 70.489 -0.991 2.411 1.00 0.20 H new ATOM 0 HA THR A 61 72.766 -2.399 1.035 1.00 0.23 H new ATOM 0 HB THR A 61 71.075 -4.427 1.818 1.00 0.30 H new ATOM 0 HG1 THR A 61 70.476 -3.969 4.020 1.00 0.33 H new ATOM 0 HG21 THR A 61 72.669 -4.899 3.651 1.00 0.41 H new ATOM 0 HG22 THR A 61 73.520 -4.361 2.184 1.00 0.41 H new ATOM 0 HG23 THR A 61 73.289 -3.235 3.542 1.00 0.41 H new ATOM 546 N LYS A 62 71.325 -2.967 -0.872 1.00 0.25 N ATOM 547 CA LYS A 62 70.489 -3.121 -2.094 1.00 0.28 C ATOM 548 C LYS A 62 71.107 -4.200 -2.973 1.00 0.28 C ATOM 549 O LYS A 62 72.277 -4.143 -3.292 1.00 0.43 O ATOM 550 CB LYS A 62 70.551 -1.769 -2.814 1.00 0.30 C ATOM 551 CG LYS A 62 70.098 -1.940 -4.271 1.00 0.65 C ATOM 552 CD LYS A 62 70.460 -0.693 -5.074 1.00 0.50 C ATOM 553 CE LYS A 62 69.837 0.541 -4.416 1.00 1.19 C ATOM 554 NZ LYS A 62 68.389 0.468 -4.759 1.00 1.92 N ATOM 0 H LYS A 62 72.301 -3.242 -0.984 1.00 0.25 H new ATOM 0 HA LYS A 62 69.462 -3.403 -1.864 1.00 0.28 H new ATOM 0 HB2 LYS A 62 69.913 -1.046 -2.307 1.00 0.30 H new ATOM 0 HB3 LYS A 62 71.567 -1.375 -2.782 1.00 0.30 H new ATOM 0 HG2 LYS A 62 70.574 -2.817 -4.709 1.00 0.65 H new ATOM 0 HG3 LYS A 62 69.022 -2.109 -4.310 1.00 0.65 H new ATOM 0 HD2 LYS A 62 71.543 -0.583 -5.125 1.00 0.50 H new ATOM 0 HD3 LYS A 62 70.101 -0.791 -6.099 1.00 0.50 H new ATOM 0 HE2 LYS A 62 69.988 0.532 -3.337 1.00 1.19 H new ATOM 0 HE3 LYS A 62 70.287 1.459 -4.793 1.00 1.19 H new ATOM 0 HZ1 LYS A 62 68.101 1.345 -5.237 1.00 1.92 H new ATOM 0 HZ2 LYS A 62 68.222 -0.341 -5.390 1.00 1.92 H new ATOM 0 HZ3 LYS A 62 67.832 0.349 -3.889 1.00 1.92 H new ATOM 568 N LYS A 63 70.354 -5.170 -3.397 1.00 0.37 N ATOM 569 CA LYS A 63 70.957 -6.186 -4.268 1.00 0.38 C ATOM 570 C LYS A 63 71.550 -5.476 -5.465 1.00 0.29 C ATOM 571 O LYS A 63 71.056 -4.458 -5.909 1.00 0.31 O ATOM 572 CB LYS A 63 69.818 -7.086 -4.688 1.00 0.50 C ATOM 573 CG LYS A 63 69.526 -8.090 -3.575 1.00 0.66 C ATOM 574 CD LYS A 63 68.562 -9.162 -4.089 1.00 0.85 C ATOM 575 CE LYS A 63 68.253 -10.153 -2.965 1.00 1.47 C ATOM 576 NZ LYS A 63 67.464 -11.237 -3.614 1.00 2.22 N ATOM 0 H LYS A 63 69.366 -5.296 -3.179 1.00 0.37 H new ATOM 0 HA LYS A 63 71.744 -6.763 -3.783 1.00 0.38 H new ATOM 0 HB2 LYS A 63 68.929 -6.491 -4.898 1.00 0.50 H new ATOM 0 HB3 LYS A 63 70.075 -7.611 -5.608 1.00 0.50 H new ATOM 0 HG2 LYS A 63 70.453 -8.553 -3.237 1.00 0.66 H new ATOM 0 HG3 LYS A 63 69.092 -7.579 -2.715 1.00 0.66 H new ATOM 0 HD2 LYS A 63 67.641 -8.698 -4.443 1.00 0.85 H new ATOM 0 HD3 LYS A 63 69.002 -9.685 -4.938 1.00 0.85 H new ATOM 0 HE2 LYS A 63 69.168 -10.543 -2.520 1.00 1.47 H new ATOM 0 HE3 LYS A 63 67.687 -9.678 -2.164 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 67.214 -11.956 -2.906 1.00 2.22 H new ATOM 0 HZ2 LYS A 63 66.595 -10.837 -4.023 1.00 2.22 H new ATOM 0 HZ3 LYS A 63 68.031 -11.676 -4.367 1.00 2.22 H new ATOM 590 N VAL A 64 72.611 -5.981 -5.974 1.00 0.23 N ATOM 591 CA VAL A 64 73.251 -5.306 -7.132 1.00 0.19 C ATOM 592 C VAL A 64 74.039 -6.304 -7.974 1.00 0.21 C ATOM 593 O VAL A 64 73.883 -7.504 -7.857 1.00 0.25 O ATOM 594 CB VAL A 64 74.129 -4.221 -6.475 1.00 0.20 C ATOM 595 CG1 VAL A 64 75.622 -4.379 -6.774 1.00 0.32 C ATOM 596 CG2 VAL A 64 73.655 -2.843 -6.938 1.00 0.30 C ATOM 0 H VAL A 64 73.073 -6.830 -5.649 1.00 0.23 H new ATOM 0 HA VAL A 64 72.544 -4.868 -7.837 1.00 0.19 H new ATOM 0 HB VAL A 64 74.017 -4.332 -5.396 1.00 0.20 H new ATOM 0 HG11 VAL A 64 76.178 -3.582 -6.280 1.00 0.32 H new ATOM 0 HG12 VAL A 64 75.967 -5.345 -6.405 1.00 0.32 H new ATOM 0 HG13 VAL A 64 75.785 -4.323 -7.850 1.00 0.32 H new ATOM 0 HG21 VAL A 64 74.272 -2.072 -6.477 1.00 0.30 H new ATOM 0 HG22 VAL A 64 73.739 -2.775 -8.023 1.00 0.30 H new ATOM 0 HG23 VAL A 64 72.615 -2.699 -6.645 1.00 0.30 H new ATOM 606 N ASN A 65 74.866 -5.806 -8.832 1.00 0.26 N ATOM 607 CA ASN A 65 75.662 -6.708 -9.715 1.00 0.31 C ATOM 608 C ASN A 65 77.161 -6.569 -9.440 1.00 0.26 C ATOM 609 O ASN A 65 77.846 -7.545 -9.209 1.00 0.34 O ATOM 610 CB ASN A 65 75.338 -6.251 -11.138 1.00 0.44 C ATOM 611 CG ASN A 65 74.763 -7.425 -11.932 1.00 1.09 C ATOM 612 OD1 ASN A 65 75.498 -8.211 -12.496 1.00 1.90 O ATOM 613 ND2 ASN A 65 73.469 -7.578 -12.001 1.00 1.64 N ATOM 0 H ASN A 65 75.033 -4.809 -8.968 1.00 0.26 H new ATOM 0 HA ASN A 65 75.415 -7.756 -9.547 1.00 0.31 H new ATOM 0 HB2 ASN A 65 74.622 -5.429 -11.113 1.00 0.44 H new ATOM 0 HB3 ASN A 65 76.238 -5.875 -11.625 1.00 0.44 H new ATOM 0 HD21 ASN A 65 73.075 -8.357 -12.528 1.00 1.64 H new ATOM 0 HD22 ASN A 65 72.852 -6.918 -11.528 1.00 1.64 H new ATOM 620 N THR A 66 77.682 -5.375 -9.472 1.00 0.30 N ATOM 621 CA THR A 66 79.143 -5.207 -9.221 1.00 0.40 C ATOM 622 C THR A 66 79.416 -3.913 -8.453 1.00 0.33 C ATOM 623 O THR A 66 78.587 -3.028 -8.388 1.00 0.32 O ATOM 624 CB THR A 66 79.777 -5.145 -10.612 1.00 0.55 C ATOM 625 OG1 THR A 66 79.030 -4.255 -11.431 1.00 0.65 O ATOM 626 CG2 THR A 66 79.777 -6.540 -11.239 1.00 0.87 C ATOM 0 H THR A 66 77.167 -4.515 -9.659 1.00 0.30 H new ATOM 0 HA THR A 66 79.548 -6.019 -8.617 1.00 0.40 H new ATOM 0 HB THR A 66 80.804 -4.788 -10.528 1.00 0.55 H new ATOM 0 HG1 THR A 66 79.435 -4.212 -12.322 1.00 0.65 H new ATOM 0 HG21 THR A 66 80.229 -6.494 -12.230 1.00 0.87 H new ATOM 0 HG22 THR A 66 80.350 -7.221 -10.610 1.00 0.87 H new ATOM 0 HG23 THR A 66 78.752 -6.901 -11.324 1.00 0.87 H new ATOM 634 N ALA A 67 80.580 -3.798 -7.874 1.00 0.40 N ATOM 635 CA ALA A 67 80.916 -2.562 -7.114 1.00 0.35 C ATOM 636 C ALA A 67 80.735 -1.336 -8.009 1.00 0.32 C ATOM 637 O ALA A 67 80.183 -0.334 -7.599 1.00 0.33 O ATOM 638 CB ALA A 67 82.382 -2.728 -6.715 1.00 0.35 C ATOM 0 H ALA A 67 81.313 -4.507 -7.895 1.00 0.40 H new ATOM 0 HA ALA A 67 80.275 -2.420 -6.244 1.00 0.35 H new ATOM 0 HB1 ALA A 67 82.706 -1.855 -6.149 1.00 0.35 H new ATOM 0 HB2 ALA A 67 82.493 -3.621 -6.099 1.00 0.35 H new ATOM 0 HB3 ALA A 67 82.994 -2.827 -7.611 1.00 0.35 H new ATOM 644 N ASP A 68 81.188 -1.408 -9.232 1.00 0.34 N ATOM 645 CA ASP A 68 81.029 -0.246 -10.151 1.00 0.38 C ATOM 646 C ASP A 68 79.616 0.320 -10.012 1.00 0.38 C ATOM 647 O ASP A 68 79.408 1.517 -10.023 1.00 0.39 O ATOM 648 CB ASP A 68 81.248 -0.812 -11.555 1.00 0.45 C ATOM 649 CG ASP A 68 82.748 -0.951 -11.821 1.00 1.13 C ATOM 650 OD1 ASP A 68 83.480 -0.044 -11.463 1.00 1.89 O ATOM 651 OD2 ASP A 68 83.139 -1.963 -12.379 1.00 1.80 O ATOM 0 H ASP A 68 81.660 -2.219 -9.633 1.00 0.34 H new ATOM 0 HA ASP A 68 81.728 0.562 -9.933 1.00 0.38 H new ATOM 0 HB2 ASP A 68 80.760 -1.782 -11.648 1.00 0.45 H new ATOM 0 HB3 ASP A 68 80.795 -0.155 -12.298 1.00 0.45 H new ATOM 656 N GLN A 69 78.645 -0.539 -9.865 1.00 0.40 N ATOM 657 CA GLN A 69 77.250 -0.077 -9.706 1.00 0.41 C ATOM 658 C GLN A 69 77.108 0.674 -8.381 1.00 0.41 C ATOM 659 O GLN A 69 76.733 1.829 -8.345 1.00 0.45 O ATOM 660 CB GLN A 69 76.451 -1.374 -9.689 1.00 0.40 C ATOM 661 CG GLN A 69 76.609 -2.089 -11.031 1.00 0.84 C ATOM 662 CD GLN A 69 75.427 -1.742 -11.939 1.00 1.31 C ATOM 663 OE1 GLN A 69 74.864 -0.569 -11.836 1.00 1.99 O flip ATOM 664 NE2 GLN A 69 75.012 -2.546 -12.750 1.00 1.84 N flip ATOM 0 H GLN A 69 78.767 -1.552 -9.849 1.00 0.40 H new ATOM 0 HA GLN A 69 76.918 0.606 -10.488 1.00 0.41 H new ATOM 0 HB2 GLN A 69 76.798 -2.016 -8.880 1.00 0.40 H new ATOM 0 HB3 GLN A 69 75.399 -1.163 -9.499 1.00 0.40 H new ATOM 0 HG2 GLN A 69 77.544 -1.792 -11.505 1.00 0.84 H new ATOM 0 HG3 GLN A 69 76.658 -3.167 -10.877 1.00 0.84 H new ATOM 0 HE21 GLN A 69 75.452 -3.463 -12.830 1.00 1.84 H new ATOM 0 HE22 GLN A 69 74.224 -2.304 -13.350 1.00 1.84 H new ATOM 673 N CYS A 70 77.416 0.025 -7.290 1.00 0.38 N ATOM 674 CA CYS A 70 77.313 0.698 -5.968 1.00 0.38 C ATOM 675 C CYS A 70 77.890 2.114 -6.053 1.00 0.38 C ATOM 676 O CYS A 70 77.309 3.059 -5.559 1.00 0.42 O ATOM 677 CB CYS A 70 78.146 -0.168 -5.025 1.00 0.39 C ATOM 678 SG CYS A 70 77.143 -0.646 -3.598 1.00 0.95 S ATOM 0 H CYS A 70 77.735 -0.943 -7.260 1.00 0.38 H new ATOM 0 HA CYS A 70 76.282 0.797 -5.628 1.00 0.38 H new ATOM 0 HB2 CYS A 70 78.500 -1.057 -5.548 1.00 0.39 H new ATOM 0 HB3 CYS A 70 79.028 0.380 -4.695 1.00 0.39 H new ATOM 683 N ALA A 71 79.026 2.270 -6.679 1.00 0.39 N ATOM 684 CA ALA A 71 79.629 3.628 -6.795 1.00 0.40 C ATOM 685 C ALA A 71 78.563 4.635 -7.230 1.00 0.36 C ATOM 686 O ALA A 71 78.156 5.491 -6.471 1.00 0.32 O ATOM 687 CB ALA A 71 80.711 3.493 -7.867 1.00 0.53 C ATOM 0 H ALA A 71 79.561 1.518 -7.114 1.00 0.39 H new ATOM 0 HA ALA A 71 80.039 3.983 -5.850 1.00 0.40 H new ATOM 0 HB1 ALA A 71 81.203 4.455 -8.011 1.00 0.53 H new ATOM 0 HB2 ALA A 71 81.446 2.753 -7.551 1.00 0.53 H new ATOM 0 HB3 ALA A 71 80.256 3.174 -8.805 1.00 0.53 H new ATOM 693 N ASN A 72 78.101 4.534 -8.447 1.00 0.44 N ATOM 694 CA ASN A 72 77.056 5.481 -8.927 1.00 0.48 C ATOM 695 C ASN A 72 75.937 5.591 -7.887 1.00 0.39 C ATOM 696 O ASN A 72 75.460 6.666 -7.583 1.00 0.53 O ATOM 697 CB ASN A 72 76.528 4.863 -10.222 1.00 0.60 C ATOM 698 CG ASN A 72 77.319 5.414 -11.410 1.00 1.06 C ATOM 699 OD1 ASN A 72 78.207 6.225 -11.239 1.00 1.74 O ATOM 700 ND2 ASN A 72 77.032 5.004 -12.616 1.00 1.68 N ATOM 0 H ASN A 72 78.402 3.837 -9.128 1.00 0.44 H new ATOM 0 HA ASN A 72 77.445 6.487 -9.087 1.00 0.48 H new ATOM 0 HB2 ASN A 72 76.619 3.778 -10.183 1.00 0.60 H new ATOM 0 HB3 ASN A 72 75.468 5.090 -10.340 1.00 0.60 H new ATOM 0 HD21 ASN A 72 77.554 5.365 -13.415 1.00 1.68 H new ATOM 0 HD22 ASN A 72 76.286 4.323 -12.759 1.00 1.68 H new ATOM 707 N ARG A 73 75.520 4.482 -7.338 1.00 0.33 N ATOM 708 CA ARG A 73 74.437 4.514 -6.314 1.00 0.33 C ATOM 709 C ARG A 73 74.985 5.040 -4.984 1.00 0.33 C ATOM 710 O ARG A 73 74.242 5.351 -4.074 1.00 0.45 O ATOM 711 CB ARG A 73 73.989 3.060 -6.172 1.00 0.42 C ATOM 712 CG ARG A 73 72.468 2.986 -6.289 1.00 0.68 C ATOM 713 CD ARG A 73 71.836 3.543 -5.014 1.00 0.53 C ATOM 714 NE ARG A 73 70.500 4.049 -5.434 1.00 1.07 N ATOM 715 CZ ARG A 73 70.095 5.225 -5.040 1.00 1.38 C ATOM 716 NH1 ARG A 73 70.102 5.527 -3.770 1.00 1.67 N ATOM 717 NH2 ARG A 73 69.682 6.100 -5.916 1.00 2.11 N ATOM 0 H ARG A 73 75.883 3.554 -7.555 1.00 0.33 H new ATOM 0 HA ARG A 73 73.614 5.169 -6.600 1.00 0.33 H new ATOM 0 HB2 ARG A 73 74.455 2.447 -6.944 1.00 0.42 H new ATOM 0 HB3 ARG A 73 74.311 2.661 -5.210 1.00 0.42 H new ATOM 0 HG2 ARG A 73 72.130 3.555 -7.155 1.00 0.68 H new ATOM 0 HG3 ARG A 73 72.153 1.954 -6.444 1.00 0.68 H new ATOM 0 HD2 ARG A 73 71.743 2.771 -4.250 1.00 0.53 H new ATOM 0 HD3 ARG A 73 72.444 4.341 -4.588 1.00 0.53 H new ATOM 0 HE ARG A 73 69.902 3.476 -6.029 1.00 1.07 H new ATOM 0 HH11 ARG A 73 70.424 4.843 -3.085 1.00 1.67 H new ATOM 0 HH12 ARG A 73 69.785 6.447 -3.463 1.00 1.67 H new ATOM 0 HH21 ARG A 73 69.676 5.864 -6.908 1.00 2.11 H new ATOM 0 HH22 ARG A 73 69.365 7.019 -5.608 1.00 2.11 H new ATOM 731 N CYS A 74 76.280 5.138 -4.865 1.00 0.29 N ATOM 732 CA CYS A 74 76.879 5.641 -3.596 1.00 0.36 C ATOM 733 C CYS A 74 77.272 7.113 -3.742 1.00 0.40 C ATOM 734 O CYS A 74 77.111 7.902 -2.832 1.00 0.61 O ATOM 735 CB CYS A 74 78.119 4.773 -3.375 1.00 0.40 C ATOM 736 SG CYS A 74 79.012 5.357 -1.915 1.00 0.79 S ATOM 0 H CYS A 74 76.951 4.891 -5.593 1.00 0.29 H new ATOM 0 HA CYS A 74 76.184 5.582 -2.758 1.00 0.36 H new ATOM 0 HB2 CYS A 74 77.828 3.731 -3.243 1.00 0.40 H new ATOM 0 HB3 CYS A 74 78.766 4.815 -4.251 1.00 0.40 H new ATOM 741 N THR A 75 77.788 7.488 -4.881 1.00 0.51 N ATOM 742 CA THR A 75 78.192 8.909 -5.085 1.00 0.60 C ATOM 743 C THR A 75 76.961 9.818 -5.070 1.00 0.57 C ATOM 744 O THR A 75 76.910 10.796 -4.350 1.00 0.77 O ATOM 745 CB THR A 75 78.867 8.946 -6.459 1.00 0.80 C ATOM 746 OG1 THR A 75 78.866 7.643 -7.028 1.00 1.15 O ATOM 747 CG2 THR A 75 80.307 9.436 -6.307 1.00 0.77 C ATOM 0 H THR A 75 77.947 6.873 -5.679 1.00 0.51 H new ATOM 0 HA THR A 75 78.858 9.260 -4.297 1.00 0.60 H new ATOM 0 HB THR A 75 78.319 9.625 -7.112 1.00 0.80 H new ATOM 0 HG1 THR A 75 79.556 7.589 -7.722 1.00 1.15 H new ATOM 0 HG21 THR A 75 80.788 9.462 -7.285 1.00 0.77 H new ATOM 0 HG22 THR A 75 80.307 10.437 -5.876 1.00 0.77 H new ATOM 0 HG23 THR A 75 80.855 8.759 -5.652 1.00 0.77 H new ATOM 755 N ARG A 76 75.970 9.504 -5.859 1.00 0.72 N ATOM 756 CA ARG A 76 74.743 10.352 -5.889 1.00 0.79 C ATOM 757 C ARG A 76 74.341 10.749 -4.466 1.00 0.70 C ATOM 758 O ARG A 76 73.652 10.021 -3.780 1.00 1.28 O ATOM 759 CB ARG A 76 73.668 9.471 -6.525 1.00 1.06 C ATOM 760 CG ARG A 76 74.007 9.236 -7.999 1.00 1.56 C ATOM 761 CD ARG A 76 72.895 9.815 -8.878 1.00 1.97 C ATOM 762 NE ARG A 76 73.504 9.943 -10.231 1.00 2.22 N ATOM 763 CZ ARG A 76 73.156 10.929 -11.012 1.00 2.60 C ATOM 764 NH1 ARG A 76 71.897 11.250 -11.136 1.00 2.96 N ATOM 765 NH2 ARG A 76 74.067 11.594 -11.669 1.00 3.13 N ATOM 0 H ARG A 76 75.956 8.698 -6.484 1.00 0.72 H new ATOM 0 HA ARG A 76 74.893 11.277 -6.446 1.00 0.79 H new ATOM 0 HB2 ARG A 76 73.605 8.518 -5.999 1.00 1.06 H new ATOM 0 HB3 ARG A 76 72.692 9.949 -6.437 1.00 1.06 H new ATOM 0 HG2 ARG A 76 74.960 9.706 -8.243 1.00 1.56 H new ATOM 0 HG3 ARG A 76 74.119 8.169 -8.192 1.00 1.56 H new ATOM 0 HD2 ARG A 76 72.024 9.159 -8.897 1.00 1.97 H new ATOM 0 HD3 ARG A 76 72.558 10.782 -8.503 1.00 1.97 H new ATOM 0 HE ARG A 76 74.193 9.260 -10.547 1.00 2.22 H new ATOM 0 HH11 ARG A 76 71.185 10.730 -10.623 1.00 2.96 H new ATOM 0 HH12 ARG A 76 71.625 12.021 -11.746 1.00 2.96 H new ATOM 0 HH21 ARG A 76 75.051 11.343 -11.572 1.00 3.13 H new ATOM 0 HH22 ARG A 76 73.795 12.365 -12.279 1.00 3.13 H new ATOM 779 N ASN A 77 74.770 11.897 -4.018 1.00 0.72 N ATOM 780 CA ASN A 77 74.415 12.339 -2.639 1.00 0.74 C ATOM 781 C ASN A 77 72.897 12.478 -2.500 1.00 0.91 C ATOM 782 O ASN A 77 72.138 11.808 -3.173 1.00 1.71 O ATOM 783 CB ASN A 77 75.096 13.696 -2.469 1.00 0.92 C ATOM 784 CG ASN A 77 76.597 13.551 -2.730 1.00 1.57 C ATOM 785 OD1 ASN A 77 77.124 12.457 -2.719 1.00 2.43 O ATOM 786 ND2 ASN A 77 77.312 14.617 -2.966 1.00 2.09 N ATOM 0 H ASN A 77 75.351 12.548 -4.547 1.00 0.72 H new ATOM 0 HA ASN A 77 74.737 11.624 -1.882 1.00 0.74 H new ATOM 0 HB2 ASN A 77 74.664 14.420 -3.160 1.00 0.92 H new ATOM 0 HB3 ASN A 77 74.926 14.076 -1.462 1.00 0.92 H new ATOM 0 HD21 ASN A 77 78.313 14.531 -3.141 1.00 2.09 H new ATOM 0 HD22 ASN A 77 76.870 15.536 -2.975 1.00 2.09 H new ATOM 793 N LYS A 78 72.449 13.340 -1.629 1.00 1.18 N ATOM 794 CA LYS A 78 70.980 13.520 -1.444 1.00 1.39 C ATOM 795 C LYS A 78 70.280 12.159 -1.426 1.00 0.95 C ATOM 796 O LYS A 78 69.117 12.042 -1.758 1.00 1.18 O ATOM 797 CB LYS A 78 70.523 14.345 -2.647 1.00 1.97 C ATOM 798 CG LYS A 78 69.080 14.806 -2.432 1.00 2.53 C ATOM 799 CD LYS A 78 68.629 15.649 -3.626 1.00 2.80 C ATOM 800 CE LYS A 78 67.102 15.629 -3.717 1.00 3.16 C ATOM 801 NZ LYS A 78 66.805 15.458 -5.166 1.00 3.60 N ATOM 0 H LYS A 78 73.036 13.928 -1.037 1.00 1.18 H new ATOM 0 HA LYS A 78 70.740 14.013 -0.502 1.00 1.39 H new ATOM 0 HB2 LYS A 78 71.176 15.208 -2.779 1.00 1.97 H new ATOM 0 HB3 LYS A 78 70.594 13.750 -3.557 1.00 1.97 H new ATOM 0 HG2 LYS A 78 68.425 13.943 -2.315 1.00 2.53 H new ATOM 0 HG3 LYS A 78 69.006 15.389 -1.514 1.00 2.53 H new ATOM 0 HD2 LYS A 78 68.984 16.674 -3.516 1.00 2.80 H new ATOM 0 HD3 LYS A 78 69.064 15.258 -4.546 1.00 2.80 H new ATOM 0 HE2 LYS A 78 66.682 14.813 -3.129 1.00 3.16 H new ATOM 0 HE3 LYS A 78 66.671 16.553 -3.332 1.00 3.16 H new ATOM 0 HZ1 LYS A 78 65.775 15.435 -5.309 1.00 3.60 H new ATOM 0 HZ2 LYS A 78 67.211 16.253 -5.700 1.00 3.60 H new ATOM 0 HZ3 LYS A 78 67.221 14.566 -5.503 1.00 3.60 H new ATOM 815 N GLY A 79 70.980 11.129 -1.038 1.00 0.68 N ATOM 816 CA GLY A 79 70.357 9.777 -0.995 1.00 0.66 C ATOM 817 C GLY A 79 70.712 9.100 0.328 1.00 0.55 C ATOM 818 O GLY A 79 69.852 8.628 1.045 1.00 0.66 O ATOM 0 H GLY A 79 71.957 11.166 -0.749 1.00 0.68 H new ATOM 0 HA2 GLY A 79 69.275 9.859 -1.096 1.00 0.66 H new ATOM 0 HA3 GLY A 79 70.710 9.174 -1.832 1.00 0.66 H new ATOM 822 N LEU A 80 71.973 9.051 0.660 1.00 0.39 N ATOM 823 CA LEU A 80 72.382 8.407 1.939 1.00 0.31 C ATOM 824 C LEU A 80 72.492 9.462 3.051 1.00 0.32 C ATOM 825 O LEU A 80 72.964 10.556 2.812 1.00 0.37 O ATOM 826 CB LEU A 80 73.758 7.799 1.654 1.00 0.25 C ATOM 827 CG LEU A 80 73.644 6.726 0.568 1.00 0.27 C ATOM 828 CD1 LEU A 80 72.440 5.825 0.852 1.00 0.33 C ATOM 829 CD2 LEU A 80 73.472 7.393 -0.799 1.00 0.27 C ATOM 0 H LEU A 80 72.737 9.429 0.100 1.00 0.39 H new ATOM 0 HA LEU A 80 71.662 7.660 2.272 1.00 0.31 H new ATOM 0 HB2 LEU A 80 74.450 8.579 1.335 1.00 0.25 H new ATOM 0 HB3 LEU A 80 74.168 7.363 2.565 1.00 0.25 H new ATOM 0 HG LEU A 80 74.552 6.123 0.566 1.00 0.27 H new ATOM 0 HD11 LEU A 80 72.364 5.064 0.076 1.00 0.33 H new ATOM 0 HD12 LEU A 80 72.567 5.343 1.822 1.00 0.33 H new ATOM 0 HD13 LEU A 80 71.530 6.425 0.861 1.00 0.33 H new ATOM 0 HD21 LEU A 80 73.391 6.627 -1.570 1.00 0.27 H new ATOM 0 HD22 LEU A 80 72.568 8.001 -0.796 1.00 0.27 H new ATOM 0 HD23 LEU A 80 74.335 8.026 -1.006 1.00 0.27 H new ATOM 841 N PRO A 81 72.065 9.100 4.239 1.00 0.35 N ATOM 842 CA PRO A 81 72.136 10.029 5.392 1.00 0.40 C ATOM 843 C PRO A 81 73.586 10.437 5.646 1.00 0.37 C ATOM 844 O PRO A 81 73.869 11.364 6.379 1.00 0.47 O ATOM 845 CB PRO A 81 71.630 9.174 6.550 1.00 0.45 C ATOM 846 CG PRO A 81 71.317 7.770 6.017 1.00 0.46 C ATOM 847 CD PRO A 81 71.491 7.762 4.495 1.00 0.40 C ATOM 0 HA PRO A 81 71.567 10.947 5.245 1.00 0.40 H new ATOM 0 HB2 PRO A 81 72.381 9.121 7.338 1.00 0.45 H new ATOM 0 HB3 PRO A 81 70.738 9.620 6.989 1.00 0.45 H new ATOM 0 HG2 PRO A 81 71.981 7.037 6.475 1.00 0.46 H new ATOM 0 HG3 PRO A 81 70.298 7.486 6.281 1.00 0.46 H new ATOM 0 HD2 PRO A 81 72.156 6.964 4.166 1.00 0.40 H new ATOM 0 HD3 PRO A 81 70.542 7.620 3.978 1.00 0.40 H new ATOM 855 N PHE A 82 74.504 9.727 5.056 1.00 0.29 N ATOM 856 CA PHE A 82 75.945 10.029 5.260 1.00 0.35 C ATOM 857 C PHE A 82 76.610 10.336 3.921 1.00 0.40 C ATOM 858 O PHE A 82 77.814 10.250 3.783 1.00 0.76 O ATOM 859 CB PHE A 82 76.545 8.753 5.852 1.00 0.35 C ATOM 860 CG PHE A 82 75.836 7.550 5.283 1.00 0.31 C ATOM 861 CD1 PHE A 82 74.635 7.129 5.855 1.00 0.33 C ATOM 862 CD2 PHE A 82 76.371 6.870 4.187 1.00 0.35 C ATOM 863 CE1 PHE A 82 73.965 6.016 5.333 1.00 0.40 C ATOM 864 CE2 PHE A 82 75.705 5.756 3.663 1.00 0.42 C ATOM 865 CZ PHE A 82 74.502 5.327 4.238 1.00 0.45 C ATOM 0 H PHE A 82 74.314 8.941 4.434 1.00 0.29 H new ATOM 0 HA PHE A 82 76.091 10.893 5.908 1.00 0.35 H new ATOM 0 HB2 PHE A 82 77.610 8.701 5.626 1.00 0.35 H new ATOM 0 HB3 PHE A 82 76.450 8.764 6.938 1.00 0.35 H new ATOM 0 HD1 PHE A 82 74.223 7.661 6.700 1.00 0.33 H new ATOM 0 HD2 PHE A 82 77.298 7.203 3.744 1.00 0.35 H new ATOM 0 HE1 PHE A 82 73.035 5.689 5.774 1.00 0.40 H new ATOM 0 HE2 PHE A 82 76.118 5.228 2.816 1.00 0.42 H new ATOM 0 HZ PHE A 82 73.989 4.465 3.837 1.00 0.45 H new ATOM 875 N THR A 83 75.836 10.665 2.924 1.00 0.39 N ATOM 876 CA THR A 83 76.434 10.943 1.591 1.00 0.42 C ATOM 877 C THR A 83 77.241 9.719 1.147 1.00 0.40 C ATOM 878 O THR A 83 78.083 9.789 0.275 1.00 0.47 O ATOM 879 CB THR A 83 77.339 12.161 1.807 1.00 0.51 C ATOM 880 OG1 THR A 83 76.539 13.332 1.884 1.00 1.47 O ATOM 881 CG2 THR A 83 78.321 12.291 0.643 1.00 1.25 C ATOM 0 H THR A 83 74.821 10.753 2.975 1.00 0.39 H new ATOM 0 HA THR A 83 75.693 11.141 0.817 1.00 0.42 H new ATOM 0 HB THR A 83 77.898 12.035 2.734 1.00 0.51 H new ATOM 0 HG1 THR A 83 77.115 14.113 2.024 1.00 1.47 H new ATOM 0 HG21 THR A 83 78.961 13.159 0.802 1.00 1.25 H new ATOM 0 HG22 THR A 83 78.935 11.393 0.583 1.00 1.25 H new ATOM 0 HG23 THR A 83 77.768 12.415 -0.288 1.00 1.25 H new ATOM 889 N CYS A 84 76.980 8.591 1.753 1.00 0.34 N ATOM 890 CA CYS A 84 77.719 7.352 1.386 1.00 0.37 C ATOM 891 C CYS A 84 79.224 7.575 1.537 1.00 0.37 C ATOM 892 O CYS A 84 79.923 7.841 0.580 1.00 0.66 O ATOM 893 CB CYS A 84 77.355 7.088 -0.074 1.00 0.51 C ATOM 894 SG CYS A 84 77.622 5.338 -0.451 1.00 1.17 S ATOM 0 H CYS A 84 76.283 8.476 2.489 1.00 0.34 H new ATOM 0 HA CYS A 84 77.458 6.509 2.025 1.00 0.37 H new ATOM 0 HB2 CYS A 84 76.314 7.356 -0.255 1.00 0.51 H new ATOM 0 HB3 CYS A 84 77.963 7.710 -0.731 1.00 0.51 H new ATOM 899 N LYS A 85 79.725 7.467 2.735 1.00 0.18 N ATOM 900 CA LYS A 85 81.183 7.671 2.956 1.00 0.18 C ATOM 901 C LYS A 85 81.952 6.408 2.568 1.00 0.18 C ATOM 902 O LYS A 85 83.121 6.451 2.245 1.00 0.19 O ATOM 903 CB LYS A 85 81.317 7.933 4.453 1.00 0.19 C ATOM 904 CG LYS A 85 80.391 9.081 4.857 1.00 0.17 C ATOM 905 CD LYS A 85 80.717 9.499 6.291 1.00 0.19 C ATOM 906 CE LYS A 85 81.038 10.994 6.328 1.00 0.26 C ATOM 907 NZ LYS A 85 81.588 11.236 7.691 1.00 0.53 N ATOM 0 H LYS A 85 79.186 7.246 3.573 1.00 0.18 H new ATOM 0 HA LYS A 85 81.584 8.489 2.358 1.00 0.18 H new ATOM 0 HB2 LYS A 85 81.064 7.033 5.014 1.00 0.19 H new ATOM 0 HB3 LYS A 85 82.350 8.182 4.698 1.00 0.19 H new ATOM 0 HG2 LYS A 85 80.520 9.925 4.180 1.00 0.17 H new ATOM 0 HG3 LYS A 85 79.349 8.769 4.783 1.00 0.17 H new ATOM 0 HD2 LYS A 85 79.873 9.282 6.945 1.00 0.19 H new ATOM 0 HD3 LYS A 85 81.565 8.925 6.664 1.00 0.19 H new ATOM 0 HE2 LYS A 85 81.761 11.262 5.557 1.00 0.26 H new ATOM 0 HE3 LYS A 85 80.146 11.594 6.150 1.00 0.26 H new ATOM 0 HZ1 LYS A 85 81.832 12.242 7.793 1.00 0.53 H new ATOM 0 HZ2 LYS A 85 80.876 10.979 8.404 1.00 0.53 H new ATOM 0 HZ3 LYS A 85 82.441 10.657 7.829 1.00 0.53 H new ATOM 921 N ALA A 86 81.304 5.282 2.610 1.00 0.18 N ATOM 922 CA ALA A 86 81.990 4.010 2.250 1.00 0.19 C ATOM 923 C ALA A 86 80.951 2.936 1.946 1.00 0.20 C ATOM 924 O ALA A 86 79.840 3.009 2.420 1.00 0.28 O ATOM 925 CB ALA A 86 82.768 3.622 3.504 1.00 0.19 C ATOM 0 H ALA A 86 80.325 5.185 2.879 1.00 0.18 H new ATOM 0 HA ALA A 86 82.630 4.116 1.374 1.00 0.19 H new ATOM 0 HB1 ALA A 86 83.306 2.691 3.325 1.00 0.19 H new ATOM 0 HB2 ALA A 86 83.480 4.410 3.749 1.00 0.19 H new ATOM 0 HB3 ALA A 86 82.075 3.487 4.335 1.00 0.19 H new ATOM 931 N PHE A 87 81.291 1.917 1.205 1.00 0.16 N ATOM 932 CA PHE A 87 80.277 0.852 0.970 1.00 0.17 C ATOM 933 C PHE A 87 80.944 -0.481 0.727 1.00 0.15 C ATOM 934 O PHE A 87 82.145 -0.628 0.836 1.00 0.16 O ATOM 935 CB PHE A 87 79.435 1.255 -0.241 1.00 0.20 C ATOM 936 CG PHE A 87 80.290 1.482 -1.465 1.00 0.20 C ATOM 937 CD1 PHE A 87 80.558 0.416 -2.333 1.00 0.28 C ATOM 938 CD2 PHE A 87 80.787 2.759 -1.751 1.00 0.22 C ATOM 939 CE1 PHE A 87 81.327 0.625 -3.484 1.00 0.34 C ATOM 940 CE2 PHE A 87 81.552 2.969 -2.906 1.00 0.29 C ATOM 941 CZ PHE A 87 81.823 1.902 -3.772 1.00 0.34 C ATOM 0 H PHE A 87 82.200 1.777 0.764 1.00 0.16 H new ATOM 0 HA PHE A 87 79.644 0.746 1.851 1.00 0.17 H new ATOM 0 HB2 PHE A 87 78.701 0.477 -0.449 1.00 0.20 H new ATOM 0 HB3 PHE A 87 78.879 2.164 -0.012 1.00 0.20 H new ATOM 0 HD1 PHE A 87 80.171 -0.568 -2.114 1.00 0.28 H new ATOM 0 HD2 PHE A 87 80.581 3.582 -1.082 1.00 0.22 H new ATOM 0 HE1 PHE A 87 81.538 -0.199 -4.150 1.00 0.34 H new ATOM 0 HE2 PHE A 87 81.933 3.955 -3.129 1.00 0.29 H new ATOM 0 HZ PHE A 87 82.414 2.064 -4.661 1.00 0.34 H new ATOM 951 N VAL A 88 80.162 -1.455 0.403 1.00 0.16 N ATOM 952 CA VAL A 88 80.732 -2.803 0.154 1.00 0.15 C ATOM 953 C VAL A 88 79.931 -3.533 -0.912 1.00 0.15 C ATOM 954 O VAL A 88 78.749 -3.307 -1.085 1.00 0.16 O ATOM 955 CB VAL A 88 80.637 -3.543 1.494 1.00 0.16 C ATOM 956 CG1 VAL A 88 80.860 -5.048 1.279 1.00 0.24 C ATOM 957 CG2 VAL A 88 81.701 -3.006 2.453 1.00 0.23 C ATOM 0 H VAL A 88 79.150 -1.382 0.298 1.00 0.16 H new ATOM 0 HA VAL A 88 81.759 -2.745 -0.205 1.00 0.15 H new ATOM 0 HB VAL A 88 79.646 -3.383 1.919 1.00 0.16 H new ATOM 0 HG11 VAL A 88 80.791 -5.566 2.235 1.00 0.24 H new ATOM 0 HG12 VAL A 88 80.100 -5.435 0.601 1.00 0.24 H new ATOM 0 HG13 VAL A 88 81.848 -5.212 0.848 1.00 0.24 H new ATOM 0 HG21 VAL A 88 81.632 -3.533 3.405 1.00 0.23 H new ATOM 0 HG22 VAL A 88 82.690 -3.162 2.023 1.00 0.23 H new ATOM 0 HG23 VAL A 88 81.540 -1.940 2.616 1.00 0.23 H new ATOM 967 N PHE A 89 80.564 -4.417 -1.619 1.00 0.18 N ATOM 968 CA PHE A 89 79.835 -5.177 -2.669 1.00 0.20 C ATOM 969 C PHE A 89 79.989 -6.676 -2.424 1.00 0.20 C ATOM 970 O PHE A 89 81.078 -7.212 -2.468 1.00 0.20 O ATOM 971 CB PHE A 89 80.488 -4.783 -3.996 1.00 0.23 C ATOM 972 CG PHE A 89 80.091 -5.786 -5.054 1.00 0.23 C ATOM 973 CD1 PHE A 89 78.765 -5.842 -5.499 1.00 0.33 C ATOM 974 CD2 PHE A 89 81.042 -6.671 -5.574 1.00 0.27 C ATOM 975 CE1 PHE A 89 78.391 -6.782 -6.466 1.00 0.36 C ATOM 976 CE2 PHE A 89 80.667 -7.613 -6.538 1.00 0.28 C ATOM 977 CZ PHE A 89 79.341 -7.668 -6.984 1.00 0.28 C ATOM 0 H PHE A 89 81.552 -4.648 -1.518 1.00 0.18 H new ATOM 0 HA PHE A 89 78.768 -4.953 -2.669 1.00 0.20 H new ATOM 0 HB2 PHE A 89 80.172 -3.782 -4.289 1.00 0.23 H new ATOM 0 HB3 PHE A 89 81.572 -4.757 -3.889 1.00 0.23 H new ATOM 0 HD1 PHE A 89 78.031 -5.160 -5.096 1.00 0.33 H new ATOM 0 HD2 PHE A 89 82.065 -6.627 -5.231 1.00 0.27 H new ATOM 0 HE1 PHE A 89 77.369 -6.823 -6.812 1.00 0.36 H new ATOM 0 HE2 PHE A 89 81.400 -8.298 -6.938 1.00 0.28 H new ATOM 0 HZ PHE A 89 79.052 -8.395 -7.728 1.00 0.28 H new ATOM 987 N ASP A 90 78.911 -7.364 -2.180 1.00 0.23 N ATOM 988 CA ASP A 90 79.021 -8.828 -1.952 1.00 0.26 C ATOM 989 C ASP A 90 79.150 -9.533 -3.305 1.00 0.29 C ATOM 990 O ASP A 90 78.197 -9.636 -4.055 1.00 0.39 O ATOM 991 CB ASP A 90 77.720 -9.224 -1.255 1.00 0.32 C ATOM 992 CG ASP A 90 78.030 -10.177 -0.098 1.00 0.55 C ATOM 993 OD1 ASP A 90 79.188 -10.527 0.061 1.00 1.26 O ATOM 994 OD2 ASP A 90 77.104 -10.542 0.607 1.00 1.26 O ATOM 0 H ASP A 90 77.967 -6.980 -2.129 1.00 0.23 H new ATOM 0 HA ASP A 90 79.889 -9.102 -1.352 1.00 0.26 H new ATOM 0 HB2 ASP A 90 77.210 -8.336 -0.882 1.00 0.32 H new ATOM 0 HB3 ASP A 90 77.046 -9.704 -1.965 1.00 0.32 H new ATOM 999 N LYS A 91 80.332 -9.985 -3.630 1.00 0.26 N ATOM 1000 CA LYS A 91 80.570 -10.652 -4.935 1.00 0.32 C ATOM 1001 C LYS A 91 79.884 -12.019 -5.022 1.00 0.37 C ATOM 1002 O LYS A 91 79.581 -12.499 -6.096 1.00 0.44 O ATOM 1003 CB LYS A 91 82.078 -10.826 -4.962 1.00 0.34 C ATOM 1004 CG LYS A 91 82.755 -9.464 -4.795 1.00 0.32 C ATOM 1005 CD LYS A 91 84.223 -9.665 -4.416 1.00 0.36 C ATOM 1006 CE LYS A 91 84.858 -10.693 -5.356 1.00 0.42 C ATOM 1007 NZ LYS A 91 86.219 -10.160 -5.646 1.00 1.03 N ATOM 0 H LYS A 91 81.155 -9.917 -3.032 1.00 0.26 H new ATOM 0 HA LYS A 91 80.171 -10.074 -5.769 1.00 0.32 H new ATOM 0 HB2 LYS A 91 82.391 -11.499 -4.164 1.00 0.34 H new ATOM 0 HB3 LYS A 91 82.385 -11.283 -5.903 1.00 0.34 H new ATOM 0 HG2 LYS A 91 82.683 -8.894 -5.722 1.00 0.32 H new ATOM 0 HG3 LYS A 91 82.246 -8.885 -4.024 1.00 0.32 H new ATOM 0 HD2 LYS A 91 84.759 -8.718 -4.480 1.00 0.36 H new ATOM 0 HD3 LYS A 91 84.300 -10.005 -3.383 1.00 0.36 H new ATOM 0 HE2 LYS A 91 84.910 -11.676 -4.888 1.00 0.42 H new ATOM 0 HE3 LYS A 91 84.275 -10.805 -6.270 1.00 0.42 H new ATOM 0 HZ1 LYS A 91 86.718 -10.811 -6.286 1.00 1.03 H new ATOM 0 HZ2 LYS A 91 86.137 -9.226 -6.097 1.00 1.03 H new ATOM 0 HZ3 LYS A 91 86.753 -10.070 -4.758 1.00 1.03 H new ATOM 1021 N ALA A 92 79.635 -12.649 -3.913 1.00 0.40 N ATOM 1022 CA ALA A 92 78.967 -13.981 -3.954 1.00 0.49 C ATOM 1023 C ALA A 92 77.474 -13.795 -3.718 1.00 0.37 C ATOM 1024 O ALA A 92 76.695 -14.727 -3.760 1.00 0.42 O ATOM 1025 CB ALA A 92 79.600 -14.782 -2.816 1.00 0.68 C ATOM 0 H ALA A 92 79.863 -12.303 -2.981 1.00 0.40 H new ATOM 0 HA ALA A 92 79.089 -14.489 -4.911 1.00 0.49 H new ATOM 0 HB1 ALA A 92 79.158 -15.778 -2.782 1.00 0.68 H new ATOM 0 HB2 ALA A 92 80.674 -14.867 -2.984 1.00 0.68 H new ATOM 0 HB3 ALA A 92 79.420 -14.273 -1.869 1.00 0.68 H new ATOM 1031 N ARG A 93 77.082 -12.585 -3.455 1.00 0.34 N ATOM 1032 CA ARG A 93 75.680 -12.274 -3.195 1.00 0.45 C ATOM 1033 C ARG A 93 75.253 -11.125 -4.104 1.00 0.36 C ATOM 1034 O ARG A 93 74.128 -10.667 -4.067 1.00 0.50 O ATOM 1035 CB ARG A 93 75.728 -11.832 -1.742 1.00 0.66 C ATOM 1036 CG ARG A 93 75.443 -13.015 -0.826 1.00 1.06 C ATOM 1037 CD ARG A 93 74.191 -13.737 -1.309 1.00 1.78 C ATOM 1038 NE ARG A 93 73.718 -14.524 -0.137 1.00 2.16 N ATOM 1039 CZ ARG A 93 72.461 -14.863 -0.044 1.00 2.55 C ATOM 1040 NH1 ARG A 93 71.994 -15.842 -0.770 1.00 3.17 N ATOM 1041 NH2 ARG A 93 71.671 -14.224 0.775 1.00 2.81 N ATOM 0 H ARG A 93 77.707 -11.780 -3.411 1.00 0.34 H new ATOM 0 HA ARG A 93 74.980 -13.090 -3.374 1.00 0.45 H new ATOM 0 HB2 ARG A 93 76.708 -11.413 -1.513 1.00 0.66 H new ATOM 0 HB3 ARG A 93 74.996 -11.043 -1.569 1.00 0.66 H new ATOM 0 HG2 ARG A 93 76.292 -13.699 -0.822 1.00 1.06 H new ATOM 0 HG3 ARG A 93 75.305 -12.671 0.199 1.00 1.06 H new ATOM 0 HD2 ARG A 93 73.431 -13.029 -1.641 1.00 1.78 H new ATOM 0 HD3 ARG A 93 74.413 -14.386 -2.156 1.00 1.78 H new ATOM 0 HE ARG A 93 74.376 -14.798 0.593 1.00 2.16 H new ATOM 0 HH11 ARG A 93 72.611 -16.342 -1.410 1.00 3.17 H new ATOM 0 HH12 ARG A 93 71.012 -16.107 -0.698 1.00 3.17 H new ATOM 0 HH21 ARG A 93 72.036 -13.459 1.343 1.00 2.81 H new ATOM 0 HH22 ARG A 93 70.689 -14.489 0.847 1.00 2.81 H new ATOM 1055 N LYS A 94 76.163 -10.649 -4.912 1.00 0.27 N ATOM 1056 CA LYS A 94 75.846 -9.524 -5.819 1.00 0.30 C ATOM 1057 C LYS A 94 75.019 -8.482 -5.073 1.00 0.28 C ATOM 1058 O LYS A 94 73.996 -8.027 -5.547 1.00 0.39 O ATOM 1059 CB LYS A 94 75.036 -10.138 -6.957 1.00 0.40 C ATOM 1060 CG LYS A 94 75.919 -10.298 -8.196 1.00 0.53 C ATOM 1061 CD LYS A 94 77.242 -10.961 -7.807 1.00 0.37 C ATOM 1062 CE LYS A 94 76.965 -12.300 -7.117 1.00 0.36 C ATOM 1063 NZ LYS A 94 77.504 -13.331 -8.047 1.00 0.56 N ATOM 0 H LYS A 94 77.119 -10.999 -4.978 1.00 0.27 H new ATOM 0 HA LYS A 94 76.741 -9.024 -6.190 1.00 0.30 H new ATOM 0 HB2 LYS A 94 74.642 -11.108 -6.653 1.00 0.40 H new ATOM 0 HB3 LYS A 94 74.180 -9.504 -7.189 1.00 0.40 H new ATOM 0 HG2 LYS A 94 75.405 -10.901 -8.944 1.00 0.53 H new ATOM 0 HG3 LYS A 94 76.109 -9.324 -8.647 1.00 0.53 H new ATOM 0 HD2 LYS A 94 77.856 -11.118 -8.694 1.00 0.37 H new ATOM 0 HD3 LYS A 94 77.805 -10.307 -7.141 1.00 0.37 H new ATOM 0 HE2 LYS A 94 77.454 -12.351 -6.144 1.00 0.36 H new ATOM 0 HE3 LYS A 94 75.898 -12.442 -6.945 1.00 0.36 H new ATOM 0 HZ1 LYS A 94 77.045 -14.245 -7.856 1.00 0.56 H new ATOM 0 HZ2 LYS A 94 77.313 -13.046 -9.029 1.00 0.56 H new ATOM 0 HZ3 LYS A 94 78.530 -13.423 -7.906 1.00 0.56 H new ATOM 1077 N GLN A 95 75.444 -8.114 -3.899 1.00 0.28 N ATOM 1078 CA GLN A 95 74.664 -7.115 -3.113 1.00 0.29 C ATOM 1079 C GLN A 95 75.481 -5.862 -2.824 1.00 0.25 C ATOM 1080 O GLN A 95 76.684 -5.825 -2.988 1.00 0.26 O ATOM 1081 CB GLN A 95 74.325 -7.815 -1.801 1.00 0.35 C ATOM 1082 CG GLN A 95 72.991 -8.536 -1.949 1.00 1.21 C ATOM 1083 CD GLN A 95 72.505 -9.044 -0.586 1.00 1.13 C ATOM 1084 OE1 GLN A 95 73.190 -8.773 0.493 1.00 1.90 O flip ATOM 1085 NE2 GLN A 95 71.485 -9.699 -0.503 1.00 0.83 N flip ATOM 0 H GLN A 95 76.293 -8.458 -3.450 1.00 0.28 H new ATOM 0 HA GLN A 95 73.781 -6.792 -3.665 1.00 0.29 H new ATOM 0 HB2 GLN A 95 75.109 -8.526 -1.541 1.00 0.35 H new ATOM 0 HB3 GLN A 95 74.271 -7.088 -0.990 1.00 0.35 H new ATOM 0 HG2 GLN A 95 72.251 -7.861 -2.378 1.00 1.21 H new ATOM 0 HG3 GLN A 95 73.097 -9.373 -2.640 1.00 1.21 H new ATOM 0 HE21 GLN A 95 70.947 -9.913 -1.343 1.00 0.83 H new ATOM 0 HE22 GLN A 95 71.167 -10.035 0.406 1.00 0.83 H new ATOM 1094 N CYS A 96 74.815 -4.840 -2.373 1.00 0.24 N ATOM 1095 CA CYS A 96 75.515 -3.566 -2.035 1.00 0.23 C ATOM 1096 C CYS A 96 75.303 -3.225 -0.564 1.00 0.20 C ATOM 1097 O CYS A 96 74.284 -3.544 0.018 1.00 0.24 O ATOM 1098 CB CYS A 96 74.863 -2.493 -2.899 1.00 0.25 C ATOM 1099 SG CYS A 96 75.935 -2.106 -4.303 1.00 0.40 S ATOM 0 H CYS A 96 73.806 -4.829 -2.221 1.00 0.24 H new ATOM 0 HA CYS A 96 76.588 -3.643 -2.212 1.00 0.23 H new ATOM 0 HB2 CYS A 96 73.892 -2.839 -3.255 1.00 0.25 H new ATOM 0 HB3 CYS A 96 74.684 -1.595 -2.307 1.00 0.25 H new ATOM 1104 N LEU A 97 76.248 -2.563 0.034 1.00 0.18 N ATOM 1105 CA LEU A 97 76.100 -2.181 1.463 1.00 0.18 C ATOM 1106 C LEU A 97 76.805 -0.847 1.711 1.00 0.16 C ATOM 1107 O LEU A 97 77.979 -0.807 2.023 1.00 0.17 O ATOM 1108 CB LEU A 97 76.777 -3.305 2.246 1.00 0.25 C ATOM 1109 CG LEU A 97 75.873 -4.537 2.243 1.00 0.30 C ATOM 1110 CD1 LEU A 97 76.452 -5.596 1.305 1.00 0.45 C ATOM 1111 CD2 LEU A 97 75.783 -5.106 3.661 1.00 0.42 C ATOM 0 H LEU A 97 77.120 -2.268 -0.406 1.00 0.18 H new ATOM 0 HA LEU A 97 75.059 -2.056 1.760 1.00 0.18 H new ATOM 0 HB2 LEU A 97 77.741 -3.546 1.799 1.00 0.25 H new ATOM 0 HB3 LEU A 97 76.972 -2.985 3.270 1.00 0.25 H new ATOM 0 HG LEU A 97 74.878 -4.255 1.899 1.00 0.30 H new ATOM 0 HD11 LEU A 97 75.806 -6.474 1.304 1.00 0.45 H new ATOM 0 HD12 LEU A 97 76.516 -5.192 0.295 1.00 0.45 H new ATOM 0 HD13 LEU A 97 77.448 -5.879 1.646 1.00 0.45 H new ATOM 0 HD21 LEU A 97 75.138 -5.985 3.660 1.00 0.42 H new ATOM 0 HD22 LEU A 97 76.779 -5.387 4.004 1.00 0.42 H new ATOM 0 HD23 LEU A 97 75.368 -4.352 4.330 1.00 0.42 H new ATOM 1123 N TRP A 98 76.109 0.250 1.566 1.00 0.17 N ATOM 1124 CA TRP A 98 76.769 1.568 1.788 1.00 0.17 C ATOM 1125 C TRP A 98 76.869 1.869 3.282 1.00 0.22 C ATOM 1126 O TRP A 98 75.888 1.854 4.001 1.00 0.25 O ATOM 1127 CB TRP A 98 75.884 2.607 1.104 1.00 0.18 C ATOM 1128 CG TRP A 98 75.725 2.278 -0.348 1.00 0.19 C ATOM 1129 CD1 TRP A 98 76.663 2.480 -1.306 1.00 0.21 C ATOM 1130 CD2 TRP A 98 74.568 1.709 -1.025 1.00 0.24 C ATOM 1131 NE1 TRP A 98 76.157 2.058 -2.524 1.00 0.24 N ATOM 1132 CE2 TRP A 98 74.869 1.578 -2.402 1.00 0.26 C ATOM 1133 CE3 TRP A 98 73.301 1.295 -0.580 1.00 0.32 C ATOM 1134 CZ2 TRP A 98 73.943 1.057 -3.304 1.00 0.34 C ATOM 1135 CZ3 TRP A 98 72.367 0.770 -1.486 1.00 0.41 C ATOM 1136 CH2 TRP A 98 72.689 0.652 -2.844 1.00 0.41 C ATOM 0 H TRP A 98 75.123 0.290 1.306 1.00 0.17 H new ATOM 0 HA TRP A 98 77.782 1.575 1.385 1.00 0.17 H new ATOM 0 HB2 TRP A 98 74.907 2.637 1.586 1.00 0.18 H new ATOM 0 HB3 TRP A 98 76.324 3.598 1.213 1.00 0.18 H new ATOM 0 HD1 TRP A 98 77.644 2.901 -1.145 1.00 0.21 H new ATOM 0 HE1 TRP A 98 76.673 2.097 -3.403 1.00 0.24 H new ATOM 0 HE3 TRP A 98 73.045 1.381 0.466 1.00 0.32 H new ATOM 0 HZ2 TRP A 98 74.194 0.967 -4.351 1.00 0.34 H new ATOM 0 HZ3 TRP A 98 71.395 0.455 -1.135 1.00 0.41 H new ATOM 0 HH2 TRP A 98 71.966 0.247 -3.536 1.00 0.41 H new ATOM 1147 N PHE A 99 78.055 2.146 3.742 1.00 0.27 N ATOM 1148 CA PHE A 99 78.265 2.457 5.171 1.00 0.35 C ATOM 1149 C PHE A 99 78.523 3.959 5.345 1.00 0.28 C ATOM 1150 O PHE A 99 79.247 4.547 4.566 1.00 0.28 O ATOM 1151 CB PHE A 99 79.534 1.696 5.531 1.00 0.52 C ATOM 1152 CG PHE A 99 79.240 0.231 5.747 1.00 0.36 C ATOM 1153 CD1 PHE A 99 78.883 -0.234 7.019 1.00 0.82 C ATOM 1154 CD2 PHE A 99 79.343 -0.667 4.678 1.00 0.78 C ATOM 1155 CE1 PHE A 99 78.626 -1.596 7.221 1.00 1.28 C ATOM 1156 CE2 PHE A 99 79.088 -2.028 4.880 1.00 1.11 C ATOM 1157 CZ PHE A 99 78.729 -2.493 6.151 1.00 1.29 C ATOM 0 H PHE A 99 78.901 2.169 3.172 1.00 0.27 H new ATOM 0 HA PHE A 99 77.407 2.188 5.787 1.00 0.35 H new ATOM 0 HB2 PHE A 99 80.270 1.810 4.735 1.00 0.52 H new ATOM 0 HB3 PHE A 99 79.973 2.120 6.434 1.00 0.52 H new ATOM 0 HD1 PHE A 99 78.806 0.458 7.845 1.00 0.82 H new ATOM 0 HD2 PHE A 99 79.619 -0.309 3.697 1.00 0.78 H new ATOM 0 HE1 PHE A 99 78.349 -1.954 8.201 1.00 1.28 H new ATOM 0 HE2 PHE A 99 79.168 -2.720 4.055 1.00 1.11 H new ATOM 0 HZ PHE A 99 78.532 -3.543 6.306 1.00 1.29 H new ATOM 1167 N PRO A 100 77.958 4.531 6.375 1.00 0.28 N ATOM 1168 CA PRO A 100 78.174 5.968 6.661 1.00 0.26 C ATOM 1169 C PRO A 100 79.604 6.202 7.164 1.00 0.23 C ATOM 1170 O PRO A 100 79.959 7.296 7.552 1.00 0.30 O ATOM 1171 CB PRO A 100 77.166 6.237 7.784 1.00 0.31 C ATOM 1172 CG PRO A 100 76.425 4.926 8.105 1.00 0.37 C ATOM 1173 CD PRO A 100 77.064 3.795 7.291 1.00 0.37 C ATOM 0 HA PRO A 100 78.045 6.612 5.791 1.00 0.26 H new ATOM 0 HB2 PRO A 100 77.679 6.609 8.671 1.00 0.31 H new ATOM 0 HB3 PRO A 100 76.457 7.007 7.479 1.00 0.31 H new ATOM 0 HG2 PRO A 100 76.487 4.707 9.171 1.00 0.37 H new ATOM 0 HG3 PRO A 100 75.367 5.019 7.859 1.00 0.37 H new ATOM 0 HD2 PRO A 100 77.614 3.099 7.924 1.00 0.37 H new ATOM 0 HD3 PRO A 100 76.318 3.212 6.750 1.00 0.37 H new ATOM 1181 N PHE A 101 80.425 5.182 7.182 1.00 0.30 N ATOM 1182 CA PHE A 101 81.815 5.365 7.685 1.00 0.30 C ATOM 1183 C PHE A 101 82.755 4.338 7.084 1.00 0.26 C ATOM 1184 O PHE A 101 82.403 3.567 6.219 1.00 0.31 O ATOM 1185 CB PHE A 101 81.737 5.098 9.183 1.00 0.35 C ATOM 1186 CG PHE A 101 80.879 3.875 9.418 1.00 0.34 C ATOM 1187 CD1 PHE A 101 81.419 2.586 9.260 1.00 0.35 C ATOM 1188 CD2 PHE A 101 79.536 4.029 9.776 1.00 0.41 C ATOM 1189 CE1 PHE A 101 80.612 1.462 9.465 1.00 0.40 C ATOM 1190 CE2 PHE A 101 78.731 2.903 9.978 1.00 0.49 C ATOM 1191 CZ PHE A 101 79.268 1.620 9.823 1.00 0.48 C ATOM 0 H PHE A 101 80.193 4.238 6.872 1.00 0.30 H new ATOM 0 HA PHE A 101 82.186 6.358 7.431 1.00 0.30 H new ATOM 0 HB2 PHE A 101 82.736 4.942 9.591 1.00 0.35 H new ATOM 0 HB3 PHE A 101 81.314 5.960 9.698 1.00 0.35 H new ATOM 0 HD1 PHE A 101 82.455 2.464 8.981 1.00 0.35 H new ATOM 0 HD2 PHE A 101 79.120 5.018 9.897 1.00 0.41 H new ATOM 0 HE1 PHE A 101 81.026 0.472 9.347 1.00 0.40 H new ATOM 0 HE2 PHE A 101 77.694 3.024 10.254 1.00 0.49 H new ATOM 0 HZ PHE A 101 78.645 0.752 9.980 1.00 0.48 H new ATOM 1201 N ASN A 102 83.942 4.307 7.594 1.00 0.25 N ATOM 1202 CA ASN A 102 84.945 3.312 7.126 1.00 0.28 C ATOM 1203 C ASN A 102 85.456 2.542 8.340 1.00 0.29 C ATOM 1204 O ASN A 102 85.023 2.769 9.452 1.00 0.36 O ATOM 1205 CB ASN A 102 86.095 4.095 6.464 1.00 0.34 C ATOM 1206 CG ASN A 102 85.869 5.606 6.569 1.00 0.44 C ATOM 1207 OD1 ASN A 102 86.483 6.267 7.381 1.00 0.89 O ATOM 1208 ND2 ASN A 102 85.007 6.180 5.774 1.00 0.32 N ATOM 0 H ASN A 102 84.271 4.936 8.327 1.00 0.25 H new ATOM 0 HA ASN A 102 84.518 2.607 6.413 1.00 0.28 H new ATOM 0 HB2 ASN A 102 87.039 3.832 6.941 1.00 0.34 H new ATOM 0 HB3 ASN A 102 86.177 3.809 5.415 1.00 0.34 H new ATOM 0 HD21 ASN A 102 84.848 7.186 5.835 1.00 0.32 H new ATOM 0 HD22 ASN A 102 84.492 5.623 5.092 1.00 0.32 H new ATOM 1215 N SER A 103 86.367 1.638 8.150 1.00 0.34 N ATOM 1216 CA SER A 103 86.887 0.869 9.312 1.00 0.38 C ATOM 1217 C SER A 103 87.620 1.806 10.278 1.00 0.41 C ATOM 1218 O SER A 103 87.978 1.427 11.375 1.00 0.49 O ATOM 1219 CB SER A 103 87.848 -0.144 8.706 1.00 0.46 C ATOM 1220 OG SER A 103 89.013 0.526 8.245 1.00 0.62 O ATOM 0 H SER A 103 86.774 1.397 7.247 1.00 0.34 H new ATOM 0 HA SER A 103 86.095 0.386 9.884 1.00 0.38 H new ATOM 0 HB2 SER A 103 88.117 -0.895 9.448 1.00 0.46 H new ATOM 0 HB3 SER A 103 87.367 -0.669 7.881 1.00 0.46 H new ATOM 0 HG SER A 103 89.633 -0.126 7.856 1.00 0.62 H new ATOM 1226 N MET A 104 87.850 3.025 9.872 1.00 0.38 N ATOM 1227 CA MET A 104 88.561 3.990 10.748 1.00 0.41 C ATOM 1228 C MET A 104 87.579 4.695 11.691 1.00 0.39 C ATOM 1229 O MET A 104 87.947 5.151 12.755 1.00 0.44 O ATOM 1230 CB MET A 104 89.170 4.989 9.769 1.00 0.42 C ATOM 1231 CG MET A 104 90.621 4.605 9.486 1.00 0.48 C ATOM 1232 SD MET A 104 91.712 5.478 10.637 1.00 0.50 S ATOM 1233 CE MET A 104 91.239 7.159 10.162 1.00 0.63 C ATOM 0 H MET A 104 87.572 3.394 8.962 1.00 0.38 H new ATOM 0 HA MET A 104 89.304 3.510 11.385 1.00 0.41 H new ATOM 0 HB2 MET A 104 88.598 5.000 8.841 1.00 0.42 H new ATOM 0 HB3 MET A 104 89.123 5.996 10.184 1.00 0.42 H new ATOM 0 HG2 MET A 104 90.751 3.528 9.592 1.00 0.48 H new ATOM 0 HG3 MET A 104 90.882 4.858 8.458 1.00 0.48 H new ATOM 0 HE1 MET A 104 92.119 7.802 10.174 1.00 0.63 H new ATOM 0 HE2 MET A 104 90.812 7.147 9.159 1.00 0.63 H new ATOM 0 HE3 MET A 104 90.500 7.542 10.866 1.00 0.63 H new ATOM 1243 N SER A 105 86.335 4.799 11.306 1.00 0.37 N ATOM 1244 CA SER A 105 85.340 5.486 12.180 1.00 0.36 C ATOM 1245 C SER A 105 85.295 4.839 13.566 1.00 0.40 C ATOM 1246 O SER A 105 85.969 3.865 13.834 1.00 0.72 O ATOM 1247 CB SER A 105 84.001 5.307 11.469 1.00 0.39 C ATOM 1248 OG SER A 105 82.984 5.077 12.435 1.00 1.33 O ATOM 0 H SER A 105 85.965 4.439 10.426 1.00 0.37 H new ATOM 0 HA SER A 105 85.591 6.536 12.333 1.00 0.36 H new ATOM 0 HB2 SER A 105 83.767 6.195 10.881 1.00 0.39 H new ATOM 0 HB3 SER A 105 84.054 4.469 10.774 1.00 0.39 H new ATOM 0 HG SER A 105 82.131 5.426 12.102 1.00 1.33 H new ATOM 1254 N SER A 106 84.497 5.378 14.448 1.00 0.40 N ATOM 1255 CA SER A 106 84.393 4.804 15.820 1.00 0.47 C ATOM 1256 C SER A 106 83.061 4.070 15.979 1.00 0.51 C ATOM 1257 O SER A 106 82.312 3.924 15.034 1.00 1.10 O ATOM 1258 CB SER A 106 84.444 6.007 16.753 1.00 0.61 C ATOM 1259 OG SER A 106 85.757 6.139 17.281 1.00 1.03 O ATOM 0 H SER A 106 83.910 6.195 14.276 1.00 0.40 H new ATOM 0 HA SER A 106 85.186 4.086 16.030 1.00 0.47 H new ATOM 0 HB2 SER A 106 84.164 6.912 16.213 1.00 0.61 H new ATOM 0 HB3 SER A 106 83.725 5.884 17.563 1.00 0.61 H new ATOM 0 HG SER A 106 85.792 6.914 17.880 1.00 1.03 H new ATOM 1265 N GLY A 107 82.757 3.613 17.168 1.00 0.46 N ATOM 1266 CA GLY A 107 81.470 2.891 17.382 1.00 0.45 C ATOM 1267 C GLY A 107 81.226 1.955 16.201 1.00 0.41 C ATOM 1268 O GLY A 107 80.104 1.714 15.805 1.00 0.52 O ATOM 0 H GLY A 107 83.344 3.709 17.997 1.00 0.46 H new ATOM 0 HA2 GLY A 107 81.506 2.323 18.312 1.00 0.45 H new ATOM 0 HA3 GLY A 107 80.650 3.603 17.475 1.00 0.45 H new ATOM 1272 N VAL A 108 82.278 1.444 15.622 1.00 0.35 N ATOM 1273 CA VAL A 108 82.116 0.544 14.450 1.00 0.34 C ATOM 1274 C VAL A 108 83.243 -0.497 14.407 1.00 0.42 C ATOM 1275 O VAL A 108 84.171 -0.456 15.190 1.00 0.51 O ATOM 1276 CB VAL A 108 82.187 1.489 13.244 1.00 0.27 C ATOM 1277 CG1 VAL A 108 83.647 1.738 12.849 1.00 0.33 C ATOM 1278 CG2 VAL A 108 81.441 0.862 12.067 1.00 0.31 C ATOM 0 H VAL A 108 83.242 1.612 15.911 1.00 0.35 H new ATOM 0 HA VAL A 108 81.186 -0.024 14.477 1.00 0.34 H new ATOM 0 HB VAL A 108 81.727 2.441 13.510 1.00 0.27 H new ATOM 0 HG11 VAL A 108 83.682 2.410 11.992 1.00 0.33 H new ATOM 0 HG12 VAL A 108 84.179 2.190 13.687 1.00 0.33 H new ATOM 0 HG13 VAL A 108 84.120 0.791 12.587 1.00 0.33 H new ATOM 0 HG21 VAL A 108 81.489 1.531 11.208 1.00 0.31 H new ATOM 0 HG22 VAL A 108 81.902 -0.092 11.811 1.00 0.31 H new ATOM 0 HG23 VAL A 108 80.399 0.699 12.342 1.00 0.31 H new ATOM 1288 N LYS A 109 83.167 -1.424 13.491 1.00 0.44 N ATOM 1289 CA LYS A 109 84.231 -2.463 13.385 1.00 0.57 C ATOM 1290 C LYS A 109 84.236 -3.051 11.973 1.00 0.52 C ATOM 1291 O LYS A 109 83.284 -2.909 11.232 1.00 0.52 O ATOM 1292 CB LYS A 109 83.849 -3.530 14.411 1.00 0.71 C ATOM 1293 CG LYS A 109 83.980 -2.951 15.821 1.00 1.33 C ATOM 1294 CD LYS A 109 84.096 -4.093 16.833 1.00 1.61 C ATOM 1295 CE LYS A 109 85.097 -3.708 17.925 1.00 2.03 C ATOM 1296 NZ LYS A 109 86.078 -4.828 17.960 1.00 2.35 N ATOM 0 H LYS A 109 82.412 -1.507 12.810 1.00 0.44 H new ATOM 0 HA LYS A 109 85.227 -2.063 13.573 1.00 0.57 H new ATOM 0 HB2 LYS A 109 82.827 -3.867 14.238 1.00 0.71 H new ATOM 0 HB3 LYS A 109 84.494 -4.402 14.303 1.00 0.71 H new ATOM 0 HG2 LYS A 109 84.857 -2.307 15.881 1.00 1.33 H new ATOM 0 HG3 LYS A 109 83.114 -2.332 16.053 1.00 1.33 H new ATOM 0 HD2 LYS A 109 83.122 -4.302 17.275 1.00 1.61 H new ATOM 0 HD3 LYS A 109 84.421 -5.005 16.332 1.00 1.61 H new ATOM 0 HE2 LYS A 109 85.587 -2.761 17.696 1.00 2.03 H new ATOM 0 HE3 LYS A 109 84.602 -3.586 18.889 1.00 2.03 H new ATOM 0 HZ1 LYS A 109 86.798 -4.637 18.686 1.00 2.35 H new ATOM 0 HZ2 LYS A 109 85.584 -5.715 18.187 1.00 2.35 H new ATOM 0 HZ3 LYS A 109 86.538 -4.916 17.031 1.00 2.35 H new ATOM 1310 N LYS A 110 85.302 -3.693 11.583 1.00 0.63 N ATOM 1311 CA LYS A 110 85.356 -4.269 10.213 1.00 0.59 C ATOM 1312 C LYS A 110 84.968 -5.743 10.206 1.00 0.60 C ATOM 1313 O LYS A 110 85.171 -6.462 11.164 1.00 0.84 O ATOM 1314 CB LYS A 110 86.804 -4.116 9.779 1.00 0.68 C ATOM 1315 CG LYS A 110 86.915 -2.928 8.840 1.00 1.27 C ATOM 1316 CD LYS A 110 88.332 -2.862 8.263 1.00 1.32 C ATOM 1317 CE LYS A 110 88.735 -4.242 7.739 1.00 1.27 C ATOM 1318 NZ LYS A 110 90.048 -4.030 7.069 1.00 1.40 N ATOM 0 H LYS A 110 86.135 -3.843 12.152 1.00 0.63 H new ATOM 0 HA LYS A 110 84.657 -3.763 9.547 1.00 0.59 H new ATOM 0 HB2 LYS A 110 87.444 -3.970 10.649 1.00 0.68 H new ATOM 0 HB3 LYS A 110 87.146 -5.023 9.281 1.00 0.68 H new ATOM 0 HG2 LYS A 110 86.187 -3.019 8.034 1.00 1.27 H new ATOM 0 HG3 LYS A 110 86.685 -2.006 9.374 1.00 1.27 H new ATOM 0 HD2 LYS A 110 88.374 -2.129 7.457 1.00 1.32 H new ATOM 0 HD3 LYS A 110 89.033 -2.534 9.030 1.00 1.32 H new ATOM 0 HE2 LYS A 110 88.818 -4.964 8.551 1.00 1.27 H new ATOM 0 HE3 LYS A 110 87.994 -4.631 7.041 1.00 1.27 H new ATOM 0 HZ1 LYS A 110 90.391 -4.933 6.683 1.00 1.40 H new ATOM 0 HZ2 LYS A 110 89.936 -3.343 6.296 1.00 1.40 H new ATOM 0 HZ3 LYS A 110 90.735 -3.666 7.759 1.00 1.40 H new ATOM 1332 N GLU A 111 84.428 -6.197 9.112 1.00 0.40 N ATOM 1333 CA GLU A 111 84.039 -7.631 9.008 1.00 0.45 C ATOM 1334 C GLU A 111 84.732 -8.273 7.810 1.00 0.38 C ATOM 1335 O GLU A 111 85.780 -7.837 7.375 1.00 0.41 O ATOM 1336 CB GLU A 111 82.523 -7.634 8.812 1.00 0.48 C ATOM 1337 CG GLU A 111 81.858 -8.158 10.079 1.00 0.66 C ATOM 1338 CD GLU A 111 80.364 -7.829 10.051 1.00 0.91 C ATOM 1339 OE1 GLU A 111 79.970 -7.026 9.220 1.00 1.51 O ATOM 1340 OE2 GLU A 111 79.639 -8.385 10.859 1.00 1.49 O ATOM 0 H GLU A 111 84.238 -5.636 8.282 1.00 0.40 H new ATOM 0 HA GLU A 111 84.329 -8.197 9.893 1.00 0.45 H new ATOM 0 HB2 GLU A 111 82.170 -6.627 8.591 1.00 0.48 H new ATOM 0 HB3 GLU A 111 82.255 -8.259 7.960 1.00 0.48 H new ATOM 0 HG2 GLU A 111 82.001 -9.236 10.158 1.00 0.66 H new ATOM 0 HG3 GLU A 111 82.323 -7.710 10.957 1.00 0.66 H new ATOM 1347 N PHE A 112 84.158 -9.310 7.279 1.00 0.41 N ATOM 1348 CA PHE A 112 84.765 -9.992 6.125 1.00 0.40 C ATOM 1349 C PHE A 112 83.683 -10.328 5.090 1.00 0.48 C ATOM 1350 O PHE A 112 83.074 -9.450 4.512 1.00 0.65 O ATOM 1351 CB PHE A 112 85.380 -11.254 6.730 1.00 0.37 C ATOM 1352 CG PHE A 112 86.220 -11.961 5.699 1.00 0.40 C ATOM 1353 CD1 PHE A 112 86.451 -11.370 4.454 1.00 0.43 C ATOM 1354 CD2 PHE A 112 86.765 -13.211 5.996 1.00 0.48 C ATOM 1355 CE1 PHE A 112 87.233 -12.034 3.501 1.00 0.50 C ATOM 1356 CE2 PHE A 112 87.547 -13.877 5.046 1.00 0.58 C ATOM 1357 CZ PHE A 112 87.781 -13.289 3.797 1.00 0.56 C ATOM 0 H PHE A 112 83.281 -9.715 7.605 1.00 0.41 H new ATOM 0 HA PHE A 112 85.507 -9.389 5.601 1.00 0.40 H new ATOM 0 HB2 PHE A 112 85.992 -10.993 7.593 1.00 0.37 H new ATOM 0 HB3 PHE A 112 84.592 -11.918 7.087 1.00 0.37 H new ATOM 0 HD1 PHE A 112 86.027 -10.403 4.227 1.00 0.43 H new ATOM 0 HD2 PHE A 112 86.583 -13.664 6.959 1.00 0.48 H new ATOM 0 HE1 PHE A 112 87.414 -11.579 2.538 1.00 0.50 H new ATOM 0 HE2 PHE A 112 87.970 -14.844 5.276 1.00 0.58 H new ATOM 0 HZ PHE A 112 88.383 -13.802 3.062 1.00 0.56 H new ATOM 1367 N GLY A 113 83.437 -11.586 4.851 1.00 0.46 N ATOM 1368 CA GLY A 113 82.395 -11.970 3.857 1.00 0.64 C ATOM 1369 C GLY A 113 83.013 -12.875 2.792 1.00 0.88 C ATOM 1370 O GLY A 113 82.342 -13.347 1.897 1.00 1.72 O ATOM 0 H GLY A 113 83.914 -12.367 5.302 1.00 0.46 H new ATOM 0 HA2 GLY A 113 81.574 -12.486 4.356 1.00 0.64 H new ATOM 0 HA3 GLY A 113 81.975 -11.078 3.392 1.00 0.64 H new ATOM 1374 N HIS A 114 84.287 -13.124 2.894 1.00 0.46 N ATOM 1375 CA HIS A 114 84.971 -14.003 1.904 1.00 0.58 C ATOM 1376 C HIS A 114 84.950 -13.372 0.509 1.00 0.54 C ATOM 1377 O HIS A 114 85.981 -13.165 -0.100 1.00 1.05 O ATOM 1378 CB HIS A 114 84.176 -15.308 1.915 1.00 0.85 C ATOM 1379 CG HIS A 114 85.126 -16.474 1.943 1.00 1.16 C ATOM 1380 ND1 HIS A 114 84.694 -17.774 2.158 1.00 1.84 N ATOM 1381 CD2 HIS A 114 86.487 -16.553 1.784 1.00 1.76 C ATOM 1382 CE1 HIS A 114 85.777 -18.571 2.123 1.00 2.11 C ATOM 1383 NE2 HIS A 114 86.896 -17.878 1.898 1.00 2.03 N ATOM 0 H HIS A 114 84.891 -12.753 3.628 1.00 0.46 H new ATOM 0 HA HIS A 114 86.020 -14.159 2.157 1.00 0.58 H new ATOM 0 HB2 HIS A 114 83.520 -15.339 2.785 1.00 0.85 H new ATOM 0 HB3 HIS A 114 83.539 -15.366 1.033 1.00 0.85 H new ATOM 0 HD2 HIS A 114 87.141 -15.714 1.599 1.00 1.76 H new ATOM 0 HE1 HIS A 114 85.745 -19.642 2.260 1.00 2.11 H new ATOM 0 HE2 HIS A 114 87.846 -18.242 1.825 1.00 2.03 H new ATOM 1391 N GLU A 115 83.792 -13.076 -0.008 1.00 0.31 N ATOM 1392 CA GLU A 115 83.726 -12.475 -1.367 1.00 0.34 C ATOM 1393 C GLU A 115 83.112 -11.072 -1.322 1.00 0.27 C ATOM 1394 O GLU A 115 82.584 -10.593 -2.304 1.00 0.29 O ATOM 1395 CB GLU A 115 82.833 -13.420 -2.172 1.00 0.49 C ATOM 1396 CG GLU A 115 83.264 -14.867 -1.922 1.00 1.30 C ATOM 1397 CD GLU A 115 82.704 -15.765 -3.026 1.00 1.78 C ATOM 1398 OE1 GLU A 115 82.655 -15.315 -4.160 1.00 2.40 O ATOM 1399 OE2 GLU A 115 82.334 -16.886 -2.721 1.00 2.10 O ATOM 0 H GLU A 115 82.892 -13.223 0.449 1.00 0.31 H new ATOM 0 HA GLU A 115 84.717 -12.363 -1.806 1.00 0.34 H new ATOM 0 HB2 GLU A 115 81.790 -13.285 -1.884 1.00 0.49 H new ATOM 0 HB3 GLU A 115 82.903 -13.187 -3.234 1.00 0.49 H new ATOM 0 HG2 GLU A 115 84.352 -14.935 -1.900 1.00 1.30 H new ATOM 0 HG3 GLU A 115 82.904 -15.202 -0.949 1.00 1.30 H new ATOM 1406 N PHE A 116 83.173 -10.396 -0.207 1.00 0.23 N ATOM 1407 CA PHE A 116 82.589 -9.036 -0.163 1.00 0.20 C ATOM 1408 C PHE A 116 83.545 -8.039 -0.790 1.00 0.19 C ATOM 1409 O PHE A 116 84.452 -8.384 -1.525 1.00 0.23 O ATOM 1410 CB PHE A 116 82.415 -8.699 1.314 1.00 0.22 C ATOM 1411 CG PHE A 116 80.952 -8.513 1.622 1.00 0.59 C ATOM 1412 CD1 PHE A 116 80.125 -7.872 0.696 1.00 1.37 C ATOM 1413 CD2 PHE A 116 80.425 -8.978 2.831 1.00 0.48 C ATOM 1414 CE1 PHE A 116 78.769 -7.693 0.977 1.00 1.79 C ATOM 1415 CE2 PHE A 116 79.066 -8.801 3.114 1.00 0.77 C ATOM 1416 CZ PHE A 116 78.238 -8.158 2.187 1.00 1.43 C ATOM 0 H PHE A 116 83.596 -10.725 0.661 1.00 0.23 H new ATOM 0 HA PHE A 116 81.646 -8.994 -0.707 1.00 0.20 H new ATOM 0 HB2 PHE A 116 82.828 -9.497 1.930 1.00 0.22 H new ATOM 0 HB3 PHE A 116 82.966 -7.791 1.557 1.00 0.22 H new ATOM 0 HD1 PHE A 116 80.535 -7.515 -0.237 1.00 1.37 H new ATOM 0 HD2 PHE A 116 81.066 -9.473 3.545 1.00 0.48 H new ATOM 0 HE1 PHE A 116 78.130 -7.196 0.262 1.00 1.79 H new ATOM 0 HE2 PHE A 116 78.657 -9.160 4.047 1.00 0.77 H new ATOM 0 HZ PHE A 116 77.189 -8.020 2.405 1.00 1.43 H new ATOM 1426 N ASP A 117 83.344 -6.805 -0.480 1.00 0.17 N ATOM 1427 CA ASP A 117 84.224 -5.733 -1.023 1.00 0.18 C ATOM 1428 C ASP A 117 84.117 -4.491 -0.144 1.00 0.17 C ATOM 1429 O ASP A 117 83.047 -4.142 0.299 1.00 0.24 O ATOM 1430 CB ASP A 117 83.686 -5.451 -2.426 1.00 0.20 C ATOM 1431 CG ASP A 117 84.627 -6.057 -3.468 1.00 0.43 C ATOM 1432 OD1 ASP A 117 85.516 -6.795 -3.076 1.00 1.07 O ATOM 1433 OD2 ASP A 117 84.443 -5.774 -4.640 1.00 1.30 O ATOM 0 H ASP A 117 82.599 -6.478 0.135 1.00 0.17 H new ATOM 0 HA ASP A 117 85.275 -6.022 -1.047 1.00 0.18 H new ATOM 0 HB2 ASP A 117 82.687 -5.873 -2.535 1.00 0.20 H new ATOM 0 HB3 ASP A 117 83.597 -4.376 -2.583 1.00 0.20 H new ATOM 1438 N LEU A 118 85.213 -3.829 0.122 1.00 0.16 N ATOM 1439 CA LEU A 118 85.157 -2.613 0.989 1.00 0.15 C ATOM 1440 C LEU A 118 85.413 -1.343 0.165 1.00 0.13 C ATOM 1441 O LEU A 118 86.461 -1.176 -0.426 1.00 0.16 O ATOM 1442 CB LEU A 118 86.266 -2.815 2.025 1.00 0.17 C ATOM 1443 CG LEU A 118 86.598 -1.480 2.702 1.00 0.53 C ATOM 1444 CD1 LEU A 118 85.306 -0.732 3.040 1.00 0.22 C ATOM 1445 CD2 LEU A 118 87.380 -1.745 3.990 1.00 1.31 C ATOM 0 H LEU A 118 86.141 -4.076 -0.222 1.00 0.16 H new ATOM 0 HA LEU A 118 84.179 -2.488 1.453 1.00 0.15 H new ATOM 0 HB2 LEU A 118 85.949 -3.543 2.772 1.00 0.17 H new ATOM 0 HB3 LEU A 118 87.156 -3.220 1.543 1.00 0.17 H new ATOM 0 HG LEU A 118 87.198 -0.874 2.024 1.00 0.53 H new ATOM 0 HD11 LEU A 118 85.549 0.216 3.521 1.00 0.22 H new ATOM 0 HD12 LEU A 118 84.746 -0.541 2.125 1.00 0.22 H new ATOM 0 HD13 LEU A 118 84.701 -1.337 3.716 1.00 0.22 H new ATOM 0 HD21 LEU A 118 87.617 -0.797 4.473 1.00 1.31 H new ATOM 0 HD22 LEU A 118 86.777 -2.354 4.663 1.00 1.31 H new ATOM 0 HD23 LEU A 118 88.304 -2.273 3.753 1.00 1.31 H new ATOM 1457 N TYR A 119 84.460 -0.447 0.121 1.00 0.16 N ATOM 1458 CA TYR A 119 84.646 0.808 -0.665 1.00 0.17 C ATOM 1459 C TYR A 119 84.514 2.043 0.216 1.00 0.17 C ATOM 1460 O TYR A 119 83.446 2.588 0.373 1.00 0.24 O ATOM 1461 CB TYR A 119 83.541 0.791 -1.707 1.00 0.22 C ATOM 1462 CG TYR A 119 83.964 -0.093 -2.845 1.00 0.25 C ATOM 1463 CD1 TYR A 119 84.850 0.392 -3.810 1.00 0.25 C ATOM 1464 CD2 TYR A 119 83.481 -1.400 -2.927 1.00 0.33 C ATOM 1465 CE1 TYR A 119 85.254 -0.432 -4.862 1.00 0.30 C ATOM 1466 CE2 TYR A 119 83.882 -2.225 -3.978 1.00 0.38 C ATOM 1467 CZ TYR A 119 84.770 -1.743 -4.948 1.00 0.36 C ATOM 1468 OH TYR A 119 85.168 -2.560 -5.987 1.00 0.42 O ATOM 0 H TYR A 119 83.561 -0.531 0.596 1.00 0.16 H new ATOM 0 HA TYR A 119 85.640 0.852 -1.109 1.00 0.17 H new ATOM 0 HB2 TYR A 119 82.614 0.423 -1.268 1.00 0.22 H new ATOM 0 HB3 TYR A 119 83.345 1.801 -2.066 1.00 0.22 H new ATOM 0 HD1 TYR A 119 85.222 1.404 -3.742 1.00 0.25 H new ATOM 0 HD2 TYR A 119 82.798 -1.772 -2.178 1.00 0.33 H new ATOM 0 HE1 TYR A 119 85.939 -0.059 -5.609 1.00 0.30 H new ATOM 0 HE2 TYR A 119 83.508 -3.236 -4.044 1.00 0.38 H new ATOM 0 HH TYR A 119 85.785 -2.070 -6.570 1.00 0.42 H new ATOM 1478 N GLU A 120 85.592 2.487 0.794 1.00 0.14 N ATOM 1479 CA GLU A 120 85.530 3.680 1.668 1.00 0.16 C ATOM 1480 C GLU A 120 85.981 4.947 0.930 1.00 0.18 C ATOM 1481 O GLU A 120 87.139 5.094 0.591 1.00 0.26 O ATOM 1482 CB GLU A 120 86.502 3.346 2.791 1.00 0.21 C ATOM 1483 CG GLU A 120 86.226 1.932 3.311 1.00 0.77 C ATOM 1484 CD GLU A 120 86.922 1.739 4.660 1.00 0.70 C ATOM 1485 OE1 GLU A 120 88.141 1.750 4.682 1.00 1.31 O ATOM 1486 OE2 GLU A 120 86.223 1.584 5.648 1.00 1.30 O ATOM 0 H GLU A 120 86.518 2.070 0.696 1.00 0.14 H new ATOM 0 HA GLU A 120 84.518 3.887 2.015 1.00 0.16 H new ATOM 0 HB2 GLU A 120 87.528 3.417 2.430 1.00 0.21 H new ATOM 0 HB3 GLU A 120 86.399 4.068 3.601 1.00 0.21 H new ATOM 0 HG2 GLU A 120 85.153 1.776 3.418 1.00 0.77 H new ATOM 0 HG3 GLU A 120 86.586 1.193 2.595 1.00 0.77 H new ATOM 1493 N ASN A 121 85.087 5.878 0.697 1.00 0.23 N ATOM 1494 CA ASN A 121 85.497 7.132 0.008 1.00 0.28 C ATOM 1495 C ASN A 121 86.634 7.780 0.794 1.00 0.28 C ATOM 1496 O ASN A 121 86.530 8.002 1.983 1.00 0.37 O ATOM 1497 CB ASN A 121 84.262 8.029 0.019 1.00 0.34 C ATOM 1498 CG ASN A 121 83.820 8.314 -1.414 1.00 0.88 C ATOM 1499 OD1 ASN A 121 84.601 8.204 -2.338 1.00 1.78 O ATOM 1500 ND2 ASN A 121 82.590 8.680 -1.636 1.00 0.58 N ATOM 0 H ASN A 121 84.101 5.821 0.953 1.00 0.23 H new ATOM 0 HA ASN A 121 85.848 6.957 -1.009 1.00 0.28 H new ATOM 0 HB2 ASN A 121 83.455 7.546 0.569 1.00 0.34 H new ATOM 0 HB3 ASN A 121 84.484 8.964 0.534 1.00 0.34 H new ATOM 0 HD21 ASN A 121 82.280 8.875 -2.588 1.00 0.58 H new ATOM 0 HD22 ASN A 121 81.937 8.771 -0.858 1.00 0.58 H new ATOM 1507 N LYS A 122 87.722 8.068 0.146 1.00 0.28 N ATOM 1508 CA LYS A 122 88.873 8.684 0.861 1.00 0.31 C ATOM 1509 C LYS A 122 88.525 10.089 1.327 1.00 0.34 C ATOM 1510 O LYS A 122 88.989 10.552 2.350 1.00 0.38 O ATOM 1511 CB LYS A 122 89.978 8.694 -0.159 1.00 0.35 C ATOM 1512 CG LYS A 122 90.212 7.248 -0.538 1.00 0.36 C ATOM 1513 CD LYS A 122 91.016 6.547 0.557 1.00 0.57 C ATOM 1514 CE LYS A 122 91.618 5.258 -0.004 1.00 1.46 C ATOM 1515 NZ LYS A 122 92.469 5.696 -1.145 1.00 2.05 N ATOM 0 H LYS A 122 87.867 7.904 -0.850 1.00 0.28 H new ATOM 0 HA LYS A 122 89.155 8.138 1.761 1.00 0.31 H new ATOM 0 HB2 LYS A 122 89.698 9.285 -1.031 1.00 0.35 H new ATOM 0 HB3 LYS A 122 90.883 9.141 0.252 1.00 0.35 H new ATOM 0 HG2 LYS A 122 89.258 6.741 -0.681 1.00 0.36 H new ATOM 0 HG3 LYS A 122 90.747 7.193 -1.486 1.00 0.36 H new ATOM 0 HD2 LYS A 122 91.807 7.203 0.920 1.00 0.57 H new ATOM 0 HD3 LYS A 122 90.373 6.321 1.408 1.00 0.57 H new ATOM 0 HE2 LYS A 122 92.207 4.736 0.750 1.00 1.46 H new ATOM 0 HE3 LYS A 122 90.840 4.569 -0.333 1.00 1.46 H new ATOM 0 HZ1 LYS A 122 93.335 5.121 -1.173 1.00 2.05 H new ATOM 0 HZ2 LYS A 122 91.945 5.576 -2.035 1.00 2.05 H new ATOM 0 HZ3 LYS A 122 92.722 6.697 -1.025 1.00 2.05 H new ATOM 1529 N ASP A 123 87.695 10.766 0.591 1.00 0.35 N ATOM 1530 CA ASP A 123 87.299 12.136 0.999 1.00 0.41 C ATOM 1531 C ASP A 123 86.289 12.050 2.143 1.00 0.38 C ATOM 1532 O ASP A 123 85.904 13.048 2.719 1.00 0.43 O ATOM 1533 CB ASP A 123 86.655 12.751 -0.244 1.00 0.45 C ATOM 1534 CG ASP A 123 87.741 13.351 -1.139 1.00 1.13 C ATOM 1535 OD1 ASP A 123 88.698 13.882 -0.600 1.00 1.90 O ATOM 1536 OD2 ASP A 123 87.598 13.268 -2.348 1.00 1.74 O ATOM 0 H ASP A 123 87.274 10.430 -0.275 1.00 0.35 H new ATOM 0 HA ASP A 123 88.141 12.733 1.350 1.00 0.41 H new ATOM 0 HB2 ASP A 123 86.097 11.991 -0.791 1.00 0.45 H new ATOM 0 HB3 ASP A 123 85.942 13.522 0.047 1.00 0.45 H new ATOM 1541 N TYR A 124 85.844 10.863 2.471 1.00 0.32 N ATOM 1542 CA TYR A 124 84.852 10.727 3.563 1.00 0.33 C ATOM 1543 C TYR A 124 85.409 9.871 4.705 1.00 0.33 C ATOM 1544 O TYR A 124 84.763 9.674 5.715 1.00 0.58 O ATOM 1545 CB TYR A 124 83.682 10.018 2.904 1.00 0.34 C ATOM 1546 CG TYR A 124 82.863 11.009 2.112 1.00 0.40 C ATOM 1547 CD1 TYR A 124 83.192 11.279 0.778 1.00 0.39 C ATOM 1548 CD2 TYR A 124 81.776 11.657 2.710 1.00 0.53 C ATOM 1549 CE1 TYR A 124 82.434 12.197 0.042 1.00 0.45 C ATOM 1550 CE2 TYR A 124 81.018 12.576 1.974 1.00 0.61 C ATOM 1551 CZ TYR A 124 81.347 12.846 0.640 1.00 0.54 C ATOM 1552 OH TYR A 124 80.600 13.751 -0.086 1.00 0.64 O ATOM 0 H TYR A 124 86.128 9.989 2.028 1.00 0.32 H new ATOM 0 HA TYR A 124 84.582 11.688 4.001 1.00 0.33 H new ATOM 0 HB2 TYR A 124 84.047 9.227 2.248 1.00 0.34 H new ATOM 0 HB3 TYR A 124 83.060 9.542 3.662 1.00 0.34 H new ATOM 0 HD1 TYR A 124 84.031 10.779 0.317 1.00 0.39 H new ATOM 0 HD2 TYR A 124 81.522 11.448 3.739 1.00 0.53 H new ATOM 0 HE1 TYR A 124 82.688 12.405 -0.987 1.00 0.45 H new ATOM 0 HE2 TYR A 124 80.180 13.077 2.435 1.00 0.61 H new ATOM 0 HH TYR A 124 80.395 14.529 0.473 1.00 0.64 H new ATOM 1562 N ILE A 125 86.595 9.352 4.552 1.00 0.31 N ATOM 1563 CA ILE A 125 87.175 8.502 5.631 1.00 0.29 C ATOM 1564 C ILE A 125 86.927 9.142 7.003 1.00 0.34 C ATOM 1565 O ILE A 125 87.566 10.107 7.373 1.00 0.45 O ATOM 1566 CB ILE A 125 88.671 8.430 5.321 1.00 0.32 C ATOM 1567 CG1 ILE A 125 88.879 7.722 3.977 1.00 0.30 C ATOM 1568 CG2 ILE A 125 89.386 7.648 6.424 1.00 0.38 C ATOM 1569 CD1 ILE A 125 88.642 6.217 4.136 1.00 0.44 C ATOM 0 H ILE A 125 87.186 9.478 3.731 1.00 0.31 H new ATOM 0 HA ILE A 125 86.724 7.510 5.665 1.00 0.29 H new ATOM 0 HB ILE A 125 89.080 9.439 5.269 1.00 0.32 H new ATOM 0 HG12 ILE A 125 88.195 8.130 3.232 1.00 0.30 H new ATOM 0 HG13 ILE A 125 89.891 7.903 3.614 1.00 0.30 H new ATOM 0 HG21 ILE A 125 90.452 7.597 6.202 1.00 0.38 H new ATOM 0 HG22 ILE A 125 89.238 8.150 7.380 1.00 0.38 H new ATOM 0 HG23 ILE A 125 88.978 6.639 6.477 1.00 0.38 H new ATOM 0 HD11 ILE A 125 88.792 5.722 3.177 1.00 0.44 H new ATOM 0 HD12 ILE A 125 89.343 5.813 4.866 1.00 0.44 H new ATOM 0 HD13 ILE A 125 87.622 6.044 4.478 1.00 0.44 H new ATOM 1581 N ARG A 126 85.998 8.608 7.758 1.00 0.35 N ATOM 1582 CA ARG A 126 85.697 9.176 9.106 1.00 0.42 C ATOM 1583 C ARG A 126 86.990 9.593 9.812 1.00 0.84 C ATOM 1584 O ARG A 126 88.060 9.105 9.507 1.00 1.35 O ATOM 1585 CB ARG A 126 85.014 8.038 9.868 1.00 0.90 C ATOM 1586 CG ARG A 126 83.730 8.557 10.519 1.00 0.49 C ATOM 1587 CD ARG A 126 83.905 8.591 12.039 1.00 0.87 C ATOM 1588 NE ARG A 126 82.646 9.194 12.557 1.00 0.92 N ATOM 1589 CZ ARG A 126 82.663 10.389 13.082 1.00 1.03 C ATOM 1590 NH1 ARG A 126 83.152 10.569 14.279 1.00 1.53 N ATOM 1591 NH2 ARG A 126 82.191 11.403 12.411 1.00 1.53 N ATOM 0 H ARG A 126 85.434 7.800 7.496 1.00 0.35 H new ATOM 0 HA ARG A 126 85.070 10.066 9.047 1.00 0.42 H new ATOM 0 HB2 ARG A 126 84.784 7.218 9.188 1.00 0.90 H new ATOM 0 HB3 ARG A 126 85.686 7.642 10.629 1.00 0.90 H new ATOM 0 HG2 ARG A 126 83.499 9.555 10.147 1.00 0.49 H new ATOM 0 HG3 ARG A 126 82.890 7.915 10.253 1.00 0.49 H new ATOM 0 HD2 ARG A 126 84.058 7.590 12.441 1.00 0.87 H new ATOM 0 HD3 ARG A 126 84.774 9.185 12.323 1.00 0.87 H new ATOM 0 HE ARG A 126 81.771 8.673 12.502 1.00 0.92 H new ATOM 0 HH11 ARG A 126 83.521 9.776 14.804 1.00 1.53 H new ATOM 0 HH12 ARG A 126 83.165 11.503 14.689 1.00 1.53 H new ATOM 0 HH21 ARG A 126 81.809 11.262 11.476 1.00 1.53 H new ATOM 0 HH22 ARG A 126 82.204 12.337 12.821 1.00 1.53 H new ATOM 1605 N ASN A 127 86.899 10.491 10.755 1.00 0.90 N ATOM 1606 CA ASN A 127 88.123 10.938 11.479 1.00 1.43 C ATOM 1607 C ASN A 127 87.906 10.846 12.992 1.00 1.87 C ATOM 1608 O ASN A 127 88.625 10.094 13.629 1.00 2.32 O ATOM 1609 CB ASN A 127 88.326 12.393 11.054 1.00 2.18 C ATOM 1610 CG ASN A 127 89.743 12.572 10.506 1.00 2.81 C ATOM 1611 OD1 ASN A 127 89.924 13.011 9.388 1.00 3.36 O ATOM 1612 ND2 ASN A 127 90.764 12.248 11.252 1.00 3.40 N ATOM 1613 OXT ASN A 127 87.024 11.529 13.486 1.00 2.53 O ATOM 0 H ASN A 127 86.031 10.934 11.055 1.00 0.90 H new ATOM 0 HA ASN A 127 88.990 10.320 11.245 1.00 1.43 H new ATOM 0 HB2 ASN A 127 87.594 12.667 10.294 1.00 2.18 H new ATOM 0 HB3 ASN A 127 88.167 13.057 11.904 1.00 2.18 H new ATOM 0 HD21 ASN A 127 91.713 12.364 10.896 1.00 3.40 H new ATOM 0 HD22 ASN A 127 90.613 11.879 12.191 1.00 3.40 H new TER 1620 ASN A 127 CONECT 678 1099 CONECT 736 894 CONECT 894 736 CONECT 1099 678 END