USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 19-NOV-07 2JXG TITLE SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF PROLINE TITLE 2 UTILIZATION A (PUTA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROLINE DEHYDROGENASE; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 1-45 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; SOURCE 3 ORGANISM_TAXID: 303 KEYWDS PUTA, PROLINE, UTILIZATION, DNA, BINDING, DNA BINDING KEYWDS 2 PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.HALOUSKA,Y.ZHOU,D.BECKER,R.POWERS REVDAT 2 10-FEB-09 2JXG 1 VERSN JRNL REVDAT 1 19-FEB-08 2JXG 0 JRNL AUTH S.HALOUSKA,Y.ZHOU,D.F.BECKER,R.POWERS JRNL TITL SOLUTION STRUCTURE OF THE PSEUDOMONAS PUTIDA JRNL TITL 2 PROTEIN PPPUTA45 AND ITS DNA COMPLEX JRNL REF PROTEINS V. 75 12 2008 JRNL REFN ISSN 0887-3585 JRNL PMID 18767154 JRNL DOI 10.1002/PROT.22217 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2JXG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-NOV-07. REMARK 100 THE RCSB ID CODE IS RCSB100412. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.2 REMARK 210 IONIC STRENGTH : 200MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2.2 MM [U-99% 13C; U-99% 15N] REMARK 210 PUTA45, 200 MM SODIUM REMARK 210 CHLORIDE, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC, 3D CBCA(CO) REMARK 210 NH, 3D HNCO, 3D HNCA, 3D REMARK 210 HNCACB, 3D HBHA(CO)NH, 3D REMARK 210 HN(CO)CA, 3D HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 2 60.58 -65.17 REMARK 500 ASP A 26 47.55 76.38 REMARK 500 ALA B 47 60.56 -65.11 REMARK 500 ASP B 71 50.30 71.03 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2JXH RELATED DB: PDB REMARK 900 RELATED ID: 2JXI RELATED DB: PDB DBREF 2JXG A 1 45 UNP Q9R9T7 Q9R9T7_PSEPU 1 45 DBREF 2JXG B 46 90 UNP Q9R9T7 Q9R9T7_PSEPU 1 45 SEQRES 1 A 45 MET ALA THR THR THR LEU GLY VAL LYS LEU ASP ASP PRO SEQRES 2 A 45 THR ARG GLU ARG LEU LYS ALA ALA ALA GLN SER ILE ASP SEQRES 3 A 45 ARG THR PRO HIS TRP LEU ILE LYS GLN ALA ILE PHE ASN SEQRES 4 A 45 TYR LEU GLU LYS LEU GLU SEQRES 1 B 45 MET ALA THR THR THR LEU GLY VAL LYS LEU ASP ASP PRO SEQRES 2 B 45 THR ARG GLU ARG LEU LYS ALA ALA ALA GLN SER ILE ASP SEQRES 3 B 45 ARG THR PRO HIS TRP LEU ILE LYS GLN ALA ILE PHE ASN SEQRES 4 B 45 TYR LEU GLU LYS LEU GLU HELIX 1 1 ASP A 11 ASP A 26 1 16 HELIX 2 2 THR A 28 GLU A 45 1 18 HELIX 3 3 ASP B 56 ASP B 71 1 16 HELIX 4 4 THR B 73 GLU B 90 1 18 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 9 LYS NZ :NH3+ -167:sc= -5.96! (180deg=-1.19!) USER MOD Set 1.2: B 75 HIS :FLIP no HD1:sc= -7.17! C(o=-16!,f=-13!) USER MOD Set 2.1: A 30 HIS :FLIP no HD1:sc= -6.61! C(o=-16!,f=-13!) USER MOD Set 2.2: B 54 LYS NZ :NH3+ -164:sc= -6.27! (180deg=-1.28) USER MOD Set 3.1: B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.0177 (180deg=-0.391) USER MOD Single : A 3 THR OG1 : rot 42:sc= 0.9 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0632 USER MOD Single : A 14 THR OG1 : rot 158:sc= 1.18 USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -1.71! (180deg=-2.21) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.241 F(o=-0.79,f=-0.24) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.67! K(o=-2.7!,f=-3.3) USER MOD Single : A 39 ASN : amide:sc= -0.16 K(o=-0.16,f=-3.4!) USER MOD Single : A 40 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.215 (180deg=-0.522) USER MOD Single : B 48 THR OG1 : rot 48:sc= 0.887 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : B 59 THR OG1 : rot 118:sc= 1.29 USER MOD Single : B 64 LYS NZ :NH3+ -168:sc= -1.78! (180deg=-2.15) USER MOD Single : B 68 GLN :FLIP amide:sc= -0.271 F(o=-0.88,f=-0.27) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 GLN : amide:sc= -3.93! X(o=-3.9!,f=-3.7) USER MOD Single : B 84 ASN : amide:sc= -0.139 K(o=-0.14,f=-3.2!) USER MOD Single : B 85 TYR OH : rot 150:sc= 0 USER MOD Single : B 88 LYS NZ :NH3+ -168:sc= -0.252 (180deg=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.670 4.860 -14.648 1.00 2.06 N ATOM 2 CA MET A 1 -5.755 4.226 -13.849 1.00 1.80 C ATOM 3 C MET A 1 -6.324 5.253 -12.860 1.00 1.67 C ATOM 4 O MET A 1 -5.720 6.274 -12.600 1.00 1.86 O ATOM 5 CB MET A 1 -5.191 3.018 -13.094 1.00 2.04 C ATOM 6 CG MET A 1 -4.475 2.092 -14.083 1.00 2.28 C ATOM 7 SD MET A 1 -4.366 0.421 -13.391 1.00 2.83 S ATOM 8 CE MET A 1 -2.997 0.723 -12.246 1.00 2.77 C ATOM 0 H1 MET A 1 -4.706 4.505 -15.625 1.00 2.06 H new ATOM 0 H2 MET A 1 -4.798 5.892 -14.650 1.00 2.06 H new ATOM 0 H3 MET A 1 -3.748 4.626 -14.228 1.00 2.06 H new ATOM 0 HA MET A 1 -6.554 3.889 -14.510 1.00 1.80 H new ATOM 0 HB2 MET A 1 -4.498 3.349 -12.321 1.00 2.04 H new ATOM 0 HB3 MET A 1 -5.995 2.481 -12.592 1.00 2.04 H new ATOM 0 HG2 MET A 1 -5.015 2.069 -15.030 1.00 2.28 H new ATOM 0 HG3 MET A 1 -3.476 2.474 -14.295 1.00 2.28 H new ATOM 0 HE1 MET A 1 -2.764 -0.195 -11.707 1.00 2.77 H new ATOM 0 HE2 MET A 1 -2.120 1.048 -12.805 1.00 2.77 H new ATOM 0 HE3 MET A 1 -3.282 1.498 -11.535 1.00 2.77 H new ATOM 20 N ALA A 2 -7.489 4.994 -12.322 1.00 1.60 N ATOM 21 CA ALA A 2 -8.116 5.956 -11.362 1.00 1.72 C ATOM 22 C ALA A 2 -7.275 6.063 -10.090 1.00 1.38 C ATOM 23 O ALA A 2 -7.733 5.770 -9.005 1.00 1.50 O ATOM 24 CB ALA A 2 -9.522 5.472 -11.004 1.00 2.12 C ATOM 0 H ALA A 2 -8.036 4.153 -12.507 1.00 1.60 H new ATOM 0 HA ALA A 2 -8.171 6.938 -11.831 1.00 1.72 H new ATOM 0 HB1 ALA A 2 -9.980 6.171 -10.305 1.00 2.12 H new ATOM 0 HB2 ALA A 2 -10.128 5.413 -11.908 1.00 2.12 H new ATOM 0 HB3 ALA A 2 -9.461 4.486 -10.543 1.00 2.12 H new ATOM 30 N THR A 3 -6.051 6.483 -10.214 1.00 1.21 N ATOM 31 CA THR A 3 -5.184 6.608 -9.014 1.00 1.05 C ATOM 32 C THR A 3 -5.486 7.909 -8.277 1.00 0.98 C ATOM 33 O THR A 3 -4.991 8.962 -8.624 1.00 1.11 O ATOM 34 CB THR A 3 -3.719 6.597 -9.452 1.00 1.27 C ATOM 35 OG1 THR A 3 -3.497 7.641 -10.389 1.00 1.66 O ATOM 36 CG2 THR A 3 -3.400 5.249 -10.099 1.00 1.85 C ATOM 0 H THR A 3 -5.612 6.746 -11.096 1.00 1.21 H new ATOM 0 HA THR A 3 -5.378 5.771 -8.343 1.00 1.05 H new ATOM 0 HB THR A 3 -3.074 6.749 -8.586 1.00 1.27 H new ATOM 0 HG1 THR A 3 -3.962 8.451 -10.092 1.00 1.66 H new ATOM 0 HG21 THR A 3 -2.357 5.234 -10.414 1.00 1.85 H new ATOM 0 HG22 THR A 3 -3.573 4.450 -9.378 1.00 1.85 H new ATOM 0 HG23 THR A 3 -4.043 5.101 -10.967 1.00 1.85 H new ATOM 44 N THR A 4 -6.259 7.834 -7.225 1.00 0.89 N ATOM 45 CA THR A 4 -6.544 9.057 -6.434 1.00 0.89 C ATOM 46 C THR A 4 -5.410 9.163 -5.435 1.00 0.74 C ATOM 47 O THR A 4 -4.953 8.158 -4.924 1.00 0.80 O ATOM 48 CB THR A 4 -7.876 8.929 -5.693 1.00 1.00 C ATOM 49 OG1 THR A 4 -8.829 8.306 -6.541 1.00 1.40 O ATOM 50 CG2 THR A 4 -8.369 10.322 -5.304 1.00 1.27 C ATOM 0 H THR A 4 -6.701 6.980 -6.884 1.00 0.89 H new ATOM 0 HA THR A 4 -6.617 9.936 -7.075 1.00 0.89 H new ATOM 0 HB THR A 4 -7.742 8.325 -4.795 1.00 1.00 H new ATOM 0 HG1 THR A 4 -9.683 8.222 -6.067 1.00 1.40 H new ATOM 0 HG21 THR A 4 -9.318 10.237 -4.775 1.00 1.27 H new ATOM 0 HG22 THR A 4 -7.634 10.800 -4.656 1.00 1.27 H new ATOM 0 HG23 THR A 4 -8.506 10.923 -6.203 1.00 1.27 H new ATOM 58 N THR A 5 -4.908 10.340 -5.191 1.00 0.73 N ATOM 59 CA THR A 5 -3.749 10.450 -4.275 1.00 0.67 C ATOM 60 C THR A 5 -4.152 10.666 -2.826 1.00 0.73 C ATOM 61 O THR A 5 -4.639 11.711 -2.443 1.00 0.90 O ATOM 62 CB THR A 5 -2.825 11.565 -4.749 1.00 0.76 C ATOM 63 OG1 THR A 5 -3.571 12.525 -5.485 1.00 0.93 O ATOM 64 CG2 THR A 5 -1.751 10.940 -5.641 1.00 0.76 C ATOM 0 H THR A 5 -5.247 11.219 -5.582 1.00 0.73 H new ATOM 0 HA THR A 5 -3.223 9.496 -4.304 1.00 0.67 H new ATOM 0 HB THR A 5 -2.363 12.066 -3.898 1.00 0.76 H new ATOM 0 HG1 THR A 5 -2.974 13.241 -5.787 1.00 0.93 H new ATOM 0 HG21 THR A 5 -1.074 11.718 -5.995 1.00 0.76 H new ATOM 0 HG22 THR A 5 -1.188 10.202 -5.070 1.00 0.76 H new ATOM 0 HG23 THR A 5 -2.224 10.455 -6.495 1.00 0.76 H new ATOM 72 N LEU A 6 -3.889 9.672 -2.012 1.00 0.70 N ATOM 73 CA LEU A 6 -4.183 9.779 -0.547 1.00 0.84 C ATOM 74 C LEU A 6 -2.846 9.781 0.179 1.00 0.74 C ATOM 75 O LEU A 6 -1.879 9.253 -0.315 1.00 0.82 O ATOM 76 CB LEU A 6 -4.959 8.569 -0.009 1.00 1.02 C ATOM 77 CG LEU A 6 -5.981 8.030 -1.007 1.00 0.82 C ATOM 78 CD1 LEU A 6 -6.782 6.922 -0.321 1.00 1.16 C ATOM 79 CD2 LEU A 6 -6.952 9.118 -1.422 1.00 1.11 C ATOM 0 H LEU A 6 -3.480 8.784 -2.302 1.00 0.70 H new ATOM 0 HA LEU A 6 -4.779 10.678 -0.390 1.00 0.84 H new ATOM 0 HB2 LEU A 6 -4.256 7.777 0.247 1.00 1.02 H new ATOM 0 HB3 LEU A 6 -5.470 8.851 0.911 1.00 1.02 H new ATOM 0 HG LEU A 6 -5.455 7.662 -1.888 1.00 0.82 H new ATOM 0 HD11 LEU A 6 -7.519 6.522 -1.017 1.00 1.16 H new ATOM 0 HD12 LEU A 6 -6.107 6.125 -0.009 1.00 1.16 H new ATOM 0 HD13 LEU A 6 -7.291 7.329 0.553 1.00 1.16 H new ATOM 0 HD21 LEU A 6 -7.671 8.712 -2.133 1.00 1.11 H new ATOM 0 HD22 LEU A 6 -7.480 9.489 -0.544 1.00 1.11 H new ATOM 0 HD23 LEU A 6 -6.404 9.937 -1.888 1.00 1.11 H new ATOM 91 N GLY A 7 -2.767 10.318 1.353 1.00 0.79 N ATOM 92 CA GLY A 7 -1.465 10.264 2.061 1.00 0.72 C ATOM 93 C GLY A 7 -1.260 8.831 2.564 1.00 0.74 C ATOM 94 O GLY A 7 -2.138 8.250 3.170 1.00 0.87 O ATOM 0 H GLY A 7 -3.528 10.784 1.848 1.00 0.79 H new ATOM 0 HA2 GLY A 7 -0.655 10.553 1.392 1.00 0.72 H new ATOM 0 HA3 GLY A 7 -1.455 10.966 2.895 1.00 0.72 H new ATOM 98 N VAL A 8 -0.114 8.259 2.318 1.00 0.72 N ATOM 99 CA VAL A 8 0.143 6.864 2.779 1.00 0.82 C ATOM 100 C VAL A 8 0.867 6.929 4.105 1.00 0.69 C ATOM 101 O VAL A 8 1.207 7.987 4.554 1.00 0.75 O ATOM 102 CB VAL A 8 1.010 6.120 1.752 1.00 1.05 C ATOM 103 CG1 VAL A 8 2.491 6.196 2.119 1.00 1.23 C ATOM 104 CG2 VAL A 8 0.600 4.648 1.707 1.00 1.85 C ATOM 0 H VAL A 8 0.658 8.698 1.816 1.00 0.72 H new ATOM 0 HA VAL A 8 -0.800 6.329 2.888 1.00 0.82 H new ATOM 0 HB VAL A 8 0.859 6.593 0.782 1.00 1.05 H new ATOM 0 HG11 VAL A 8 3.079 5.660 1.373 1.00 1.23 H new ATOM 0 HG12 VAL A 8 2.806 7.239 2.148 1.00 1.23 H new ATOM 0 HG13 VAL A 8 2.647 5.743 3.098 1.00 1.23 H new ATOM 0 HG21 VAL A 8 1.216 4.121 0.978 1.00 1.85 H new ATOM 0 HG22 VAL A 8 0.740 4.201 2.691 1.00 1.85 H new ATOM 0 HG23 VAL A 8 -0.449 4.571 1.420 1.00 1.85 H new ATOM 114 N LYS A 9 1.125 5.807 4.705 1.00 0.84 N ATOM 115 CA LYS A 9 1.854 5.780 5.999 1.00 0.86 C ATOM 116 C LYS A 9 3.071 4.879 5.851 1.00 0.87 C ATOM 117 O LYS A 9 3.074 3.751 6.303 1.00 1.09 O ATOM 118 CB LYS A 9 0.934 5.197 7.041 1.00 1.18 C ATOM 119 CG LYS A 9 -0.263 6.129 7.252 1.00 1.73 C ATOM 120 CD LYS A 9 -0.403 6.450 8.742 1.00 2.41 C ATOM 121 CE LYS A 9 -1.714 7.196 8.979 1.00 3.23 C ATOM 122 NZ LYS A 9 -2.174 7.803 7.698 1.00 3.73 N ATOM 0 H LYS A 9 0.857 4.890 4.348 1.00 0.84 H new ATOM 0 HA LYS A 9 2.168 6.783 6.288 1.00 0.86 H new ATOM 0 HB2 LYS A 9 0.589 4.212 6.726 1.00 1.18 H new ATOM 0 HB3 LYS A 9 1.471 5.061 7.980 1.00 1.18 H new ATOM 0 HG2 LYS A 9 -0.127 7.048 6.682 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -1.174 5.658 6.883 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -0.384 5.530 9.327 1.00 2.41 H new ATOM 0 HD3 LYS A 9 0.439 7.057 9.075 1.00 2.41 H new ATOM 0 HE2 LYS A 9 -2.471 6.512 9.363 1.00 3.23 H new ATOM 0 HE3 LYS A 9 -1.574 7.971 9.732 1.00 3.23 H new ATOM 0 HZ1 LYS A 9 -2.934 8.486 7.891 1.00 3.73 H new ATOM 0 HZ2 LYS A 9 -1.378 8.291 7.239 1.00 3.73 H new ATOM 0 HZ3 LYS A 9 -2.531 7.056 7.069 1.00 3.73 H new ATOM 136 N LEU A 10 4.087 5.369 5.200 1.00 0.81 N ATOM 137 CA LEU A 10 5.313 4.566 4.974 1.00 0.98 C ATOM 138 C LEU A 10 6.485 5.160 5.749 1.00 1.03 C ATOM 139 O LEU A 10 6.554 6.348 5.972 1.00 1.12 O ATOM 140 CB LEU A 10 5.603 4.595 3.481 1.00 1.16 C ATOM 141 CG LEU A 10 4.845 3.444 2.775 1.00 0.88 C ATOM 142 CD1 LEU A 10 4.631 3.744 1.273 1.00 1.40 C ATOM 143 CD2 LEU A 10 5.637 2.132 2.922 1.00 0.86 C ATOM 0 H LEU A 10 4.117 6.310 4.809 1.00 0.81 H new ATOM 0 HA LEU A 10 5.171 3.542 5.320 1.00 0.98 H new ATOM 0 HB2 LEU A 10 5.299 5.554 3.061 1.00 1.16 H new ATOM 0 HB3 LEU A 10 6.675 4.497 3.308 1.00 1.16 H new ATOM 0 HG LEU A 10 3.868 3.348 3.249 1.00 0.88 H new ATOM 0 HD11 LEU A 10 4.096 2.915 0.809 1.00 1.40 H new ATOM 0 HD12 LEU A 10 4.048 4.659 1.164 1.00 1.40 H new ATOM 0 HD13 LEU A 10 5.598 3.870 0.786 1.00 1.40 H new ATOM 0 HD21 LEU A 10 5.100 1.325 2.424 1.00 0.86 H new ATOM 0 HD22 LEU A 10 6.621 2.248 2.467 1.00 0.86 H new ATOM 0 HD23 LEU A 10 5.752 1.893 3.979 1.00 0.86 H new ATOM 155 N ASP A 11 7.409 4.329 6.149 1.00 1.21 N ATOM 156 CA ASP A 11 8.597 4.810 6.905 1.00 1.40 C ATOM 157 C ASP A 11 9.793 4.783 5.968 1.00 1.11 C ATOM 158 O ASP A 11 9.876 3.936 5.102 1.00 0.87 O ATOM 159 CB ASP A 11 8.866 3.872 8.077 1.00 1.89 C ATOM 160 CG ASP A 11 7.563 3.178 8.484 1.00 2.51 C ATOM 161 OD1 ASP A 11 6.538 3.841 8.490 1.00 3.03 O ATOM 162 OD2 ASP A 11 7.612 1.996 8.780 1.00 3.02 O ATOM 0 H ASP A 11 7.389 3.323 5.981 1.00 1.21 H new ATOM 0 HA ASP A 11 8.423 5.818 7.281 1.00 1.40 H new ATOM 0 HB2 ASP A 11 9.614 3.130 7.799 1.00 1.89 H new ATOM 0 HB3 ASP A 11 9.271 4.432 8.920 1.00 1.89 H new ATOM 167 N ASP A 12 10.735 5.662 6.143 1.00 1.24 N ATOM 168 CA ASP A 12 11.926 5.630 5.254 1.00 1.10 C ATOM 169 C ASP A 12 12.464 4.198 5.257 1.00 0.93 C ATOM 170 O ASP A 12 12.454 3.538 4.238 1.00 0.78 O ATOM 171 CB ASP A 12 12.981 6.628 5.735 1.00 1.30 C ATOM 172 CG ASP A 12 12.952 7.861 4.832 1.00 1.44 C ATOM 173 OD1 ASP A 12 13.514 7.793 3.751 1.00 1.90 O ATOM 174 OD2 ASP A 12 12.366 8.853 5.235 1.00 1.83 O ATOM 0 H ASP A 12 10.734 6.393 6.854 1.00 1.24 H new ATOM 0 HA ASP A 12 11.659 5.921 4.238 1.00 1.10 H new ATOM 0 HB2 ASP A 12 12.784 6.914 6.768 1.00 1.30 H new ATOM 0 HB3 ASP A 12 13.970 6.170 5.714 1.00 1.30 H new ATOM 179 N PRO A 13 12.866 3.679 6.393 1.00 1.05 N ATOM 180 CA PRO A 13 13.320 2.272 6.477 1.00 1.06 C ATOM 181 C PRO A 13 12.395 1.350 5.672 1.00 0.86 C ATOM 182 O PRO A 13 12.822 0.588 4.826 1.00 0.79 O ATOM 183 CB PRO A 13 13.172 1.941 7.962 1.00 1.30 C ATOM 184 CG PRO A 13 13.264 3.235 8.698 1.00 1.42 C ATOM 185 CD PRO A 13 12.958 4.356 7.705 1.00 1.30 C ATOM 0 HA PRO A 13 14.329 2.139 6.086 1.00 1.06 H new ATOM 0 HB2 PRO A 13 12.218 1.452 8.157 1.00 1.30 H new ATOM 0 HB3 PRO A 13 13.954 1.255 8.286 1.00 1.30 H new ATOM 0 HG2 PRO A 13 12.557 3.255 9.527 1.00 1.42 H new ATOM 0 HG3 PRO A 13 14.259 3.363 9.125 1.00 1.42 H new ATOM 0 HD2 PRO A 13 12.026 4.864 7.955 1.00 1.30 H new ATOM 0 HD3 PRO A 13 13.743 5.112 7.707 1.00 1.30 H new ATOM 193 N THR A 14 11.119 1.443 5.938 1.00 0.86 N ATOM 194 CA THR A 14 10.117 0.599 5.229 1.00 0.76 C ATOM 195 C THR A 14 10.111 0.950 3.742 1.00 0.57 C ATOM 196 O THR A 14 10.053 0.089 2.887 1.00 0.48 O ATOM 197 CB THR A 14 8.742 0.891 5.861 1.00 1.00 C ATOM 198 OG1 THR A 14 8.722 0.376 7.184 1.00 1.91 O ATOM 199 CG2 THR A 14 7.604 0.258 5.057 1.00 1.06 C ATOM 0 H THR A 14 10.724 2.080 6.629 1.00 0.86 H new ATOM 0 HA THR A 14 10.357 -0.460 5.323 1.00 0.76 H new ATOM 0 HB THR A 14 8.592 1.971 5.865 1.00 1.00 H new ATOM 0 HG1 THR A 14 8.035 0.841 7.706 1.00 1.91 H new ATOM 0 HG21 THR A 14 6.651 0.486 5.534 1.00 1.06 H new ATOM 0 HG22 THR A 14 7.608 0.659 4.043 1.00 1.06 H new ATOM 0 HG23 THR A 14 7.742 -0.823 5.020 1.00 1.06 H new ATOM 207 N ARG A 15 10.163 2.207 3.435 1.00 0.61 N ATOM 208 CA ARG A 15 10.152 2.637 2.015 1.00 0.60 C ATOM 209 C ARG A 15 11.294 1.964 1.258 1.00 0.51 C ATOM 210 O ARG A 15 11.164 1.566 0.124 1.00 0.53 O ATOM 211 CB ARG A 15 10.327 4.141 1.978 1.00 0.80 C ATOM 212 CG ARG A 15 10.266 4.621 0.531 1.00 0.98 C ATOM 213 CD ARG A 15 10.267 6.149 0.495 1.00 1.47 C ATOM 214 NE ARG A 15 10.251 6.611 -0.923 1.00 1.71 N ATOM 215 CZ ARG A 15 9.181 6.449 -1.655 1.00 1.87 C ATOM 216 NH1 ARG A 15 8.115 5.897 -1.148 1.00 2.31 N ATOM 217 NH2 ARG A 15 9.180 6.843 -2.898 1.00 2.27 N ATOM 0 H ARG A 15 10.213 2.966 4.114 1.00 0.61 H new ATOM 0 HA ARG A 15 9.211 2.354 1.543 1.00 0.60 H new ATOM 0 HB2 ARG A 15 9.547 4.624 2.566 1.00 0.80 H new ATOM 0 HB3 ARG A 15 11.281 4.419 2.425 1.00 0.80 H new ATOM 0 HG2 ARG A 15 11.119 4.234 -0.027 1.00 0.98 H new ATOM 0 HG3 ARG A 15 9.368 4.237 0.048 1.00 0.98 H new ATOM 0 HD2 ARG A 15 9.397 6.537 1.025 1.00 1.47 H new ATOM 0 HD3 ARG A 15 11.150 6.535 1.005 1.00 1.47 H new ATOM 0 HE ARG A 15 11.078 7.055 -1.323 1.00 1.71 H new ATOM 0 HH11 ARG A 15 8.113 5.589 -0.176 1.00 2.31 H new ATOM 0 HH12 ARG A 15 7.282 5.773 -1.724 1.00 2.31 H new ATOM 0 HH21 ARG A 15 10.013 7.276 -3.296 1.00 2.27 H new ATOM 0 HH22 ARG A 15 8.346 6.718 -3.472 1.00 2.27 H new ATOM 231 N GLU A 16 12.413 1.830 1.879 1.00 0.53 N ATOM 232 CA GLU A 16 13.561 1.162 1.184 1.00 0.60 C ATOM 233 C GLU A 16 13.199 -0.289 0.940 1.00 0.57 C ATOM 234 O GLU A 16 13.523 -0.869 -0.075 1.00 0.65 O ATOM 235 CB GLU A 16 14.797 1.197 2.076 1.00 0.73 C ATOM 236 CG GLU A 16 15.158 2.638 2.388 1.00 1.21 C ATOM 237 CD GLU A 16 15.768 3.301 1.151 1.00 1.89 C ATOM 238 OE1 GLU A 16 16.032 2.594 0.192 1.00 2.44 O ATOM 239 OE2 GLU A 16 15.960 4.506 1.184 1.00 2.45 O ATOM 0 H GLU A 16 12.599 2.146 2.831 1.00 0.53 H new ATOM 0 HA GLU A 16 13.766 1.679 0.246 1.00 0.60 H new ATOM 0 HB2 GLU A 16 14.607 0.651 3.000 1.00 0.73 H new ATOM 0 HB3 GLU A 16 15.631 0.702 1.579 1.00 0.73 H new ATOM 0 HG2 GLU A 16 14.269 3.185 2.704 1.00 1.21 H new ATOM 0 HG3 GLU A 16 15.865 2.674 3.217 1.00 1.21 H new ATOM 246 N ARG A 17 12.543 -0.887 1.880 1.00 0.54 N ATOM 247 CA ARG A 17 12.173 -2.303 1.721 1.00 0.60 C ATOM 248 C ARG A 17 11.188 -2.418 0.550 1.00 0.53 C ATOM 249 O ARG A 17 11.160 -3.407 -0.153 1.00 0.62 O ATOM 250 CB ARG A 17 11.543 -2.810 3.035 1.00 0.70 C ATOM 251 CG ARG A 17 11.689 -4.339 3.204 1.00 0.99 C ATOM 252 CD ARG A 17 10.471 -5.047 2.615 1.00 1.64 C ATOM 253 NE ARG A 17 10.653 -6.522 2.748 1.00 2.27 N ATOM 254 CZ ARG A 17 10.055 -7.344 1.926 1.00 3.01 C ATOM 255 NH1 ARG A 17 9.319 -6.888 0.948 1.00 3.36 N ATOM 256 NH2 ARG A 17 10.205 -8.631 2.076 1.00 3.87 N ATOM 0 H ARG A 17 12.247 -0.453 2.754 1.00 0.54 H new ATOM 0 HA ARG A 17 13.049 -2.915 1.506 1.00 0.60 H new ATOM 0 HB2 ARG A 17 12.014 -2.307 3.879 1.00 0.70 H new ATOM 0 HB3 ARG A 17 10.486 -2.544 3.055 1.00 0.70 H new ATOM 0 HG2 ARG A 17 12.596 -4.683 2.707 1.00 0.99 H new ATOM 0 HG3 ARG A 17 11.790 -4.589 4.260 1.00 0.99 H new ATOM 0 HD2 ARG A 17 9.565 -4.731 3.133 1.00 1.64 H new ATOM 0 HD3 ARG A 17 10.349 -4.776 1.566 1.00 1.64 H new ATOM 0 HE ARG A 17 11.250 -6.893 3.488 1.00 2.27 H new ATOM 0 HH11 ARG A 17 9.207 -5.882 0.820 1.00 3.36 H new ATOM 0 HH12 ARG A 17 8.857 -7.538 0.312 1.00 3.36 H new ATOM 0 HH21 ARG A 17 10.787 -8.992 2.832 1.00 3.87 H new ATOM 0 HH22 ARG A 17 9.740 -9.276 1.437 1.00 3.87 H new ATOM 270 N LEU A 18 10.394 -1.398 0.316 1.00 0.43 N ATOM 271 CA LEU A 18 9.437 -1.460 -0.832 1.00 0.43 C ATOM 272 C LEU A 18 10.248 -1.587 -2.115 1.00 0.49 C ATOM 273 O LEU A 18 9.860 -2.258 -3.051 1.00 0.54 O ATOM 274 CB LEU A 18 8.598 -0.180 -0.919 1.00 0.47 C ATOM 275 CG LEU A 18 7.282 -0.308 -0.146 1.00 0.46 C ATOM 276 CD1 LEU A 18 7.549 -0.452 1.353 1.00 0.46 C ATOM 277 CD2 LEU A 18 6.466 0.961 -0.401 1.00 0.57 C ATOM 0 H LEU A 18 10.368 -0.537 0.863 1.00 0.43 H new ATOM 0 HA LEU A 18 8.768 -2.309 -0.691 1.00 0.43 H new ATOM 0 HB2 LEU A 18 9.172 0.658 -0.523 1.00 0.47 H new ATOM 0 HB3 LEU A 18 8.385 0.045 -1.964 1.00 0.47 H new ATOM 0 HG LEU A 18 6.741 -1.193 -0.480 1.00 0.46 H new ATOM 0 HD11 LEU A 18 6.602 -0.542 1.884 1.00 0.46 H new ATOM 0 HD12 LEU A 18 8.151 -1.343 1.531 1.00 0.46 H new ATOM 0 HD13 LEU A 18 8.085 0.426 1.713 1.00 0.46 H new ATOM 0 HD21 LEU A 18 5.520 0.900 0.138 1.00 0.57 H new ATOM 0 HD22 LEU A 18 7.026 1.829 -0.054 1.00 0.57 H new ATOM 0 HD23 LEU A 18 6.270 1.059 -1.469 1.00 0.57 H new ATOM 289 N LYS A 19 11.381 -0.945 -2.160 1.00 0.57 N ATOM 290 CA LYS A 19 12.228 -1.025 -3.374 1.00 0.69 C ATOM 291 C LYS A 19 12.441 -2.493 -3.696 1.00 0.72 C ATOM 292 O LYS A 19 12.401 -2.903 -4.838 1.00 0.79 O ATOM 293 CB LYS A 19 13.571 -0.335 -3.092 1.00 0.85 C ATOM 294 CG LYS A 19 13.919 0.658 -4.208 1.00 1.26 C ATOM 295 CD LYS A 19 14.216 -0.097 -5.502 1.00 1.41 C ATOM 296 CE LYS A 19 14.893 0.845 -6.498 1.00 2.07 C ATOM 297 NZ LYS A 19 14.216 2.173 -6.467 1.00 2.71 N ATOM 0 H LYS A 19 11.755 -0.369 -1.406 1.00 0.57 H new ATOM 0 HA LYS A 19 11.753 -0.528 -4.220 1.00 0.69 H new ATOM 0 HB2 LYS A 19 13.523 0.187 -2.137 1.00 0.85 H new ATOM 0 HB3 LYS A 19 14.359 -1.084 -3.007 1.00 0.85 H new ATOM 0 HG2 LYS A 19 13.091 1.350 -4.362 1.00 1.26 H new ATOM 0 HG3 LYS A 19 14.784 1.255 -3.919 1.00 1.26 H new ATOM 0 HD2 LYS A 19 14.861 -0.951 -5.297 1.00 1.41 H new ATOM 0 HD3 LYS A 19 13.292 -0.490 -5.927 1.00 1.41 H new ATOM 0 HE2 LYS A 19 15.948 0.957 -6.249 1.00 2.07 H new ATOM 0 HE3 LYS A 19 14.846 0.424 -7.502 1.00 2.07 H new ATOM 0 HZ1 LYS A 19 14.483 2.718 -7.311 1.00 2.71 H new ATOM 0 HZ2 LYS A 19 13.185 2.037 -6.454 1.00 2.71 H new ATOM 0 HZ3 LYS A 19 14.507 2.691 -5.614 1.00 2.71 H new ATOM 311 N ALA A 20 12.616 -3.296 -2.693 1.00 0.74 N ATOM 312 CA ALA A 20 12.788 -4.752 -2.947 1.00 0.88 C ATOM 313 C ALA A 20 11.513 -5.251 -3.623 1.00 0.83 C ATOM 314 O ALA A 20 11.541 -6.028 -4.552 1.00 0.92 O ATOM 315 CB ALA A 20 12.996 -5.495 -1.626 1.00 1.00 C ATOM 0 H ALA A 20 12.648 -3.014 -1.713 1.00 0.74 H new ATOM 0 HA ALA A 20 13.658 -4.929 -3.579 1.00 0.88 H new ATOM 0 HB1 ALA A 20 13.121 -6.560 -1.823 1.00 1.00 H new ATOM 0 HB2 ALA A 20 13.887 -5.111 -1.129 1.00 1.00 H new ATOM 0 HB3 ALA A 20 12.129 -5.344 -0.983 1.00 1.00 H new ATOM 321 N ALA A 21 10.385 -4.783 -3.182 1.00 0.75 N ATOM 322 CA ALA A 21 9.124 -5.210 -3.830 1.00 0.79 C ATOM 323 C ALA A 21 9.150 -4.715 -5.279 1.00 0.77 C ATOM 324 O ALA A 21 8.780 -5.426 -6.192 1.00 0.88 O ATOM 325 CB ALA A 21 7.936 -4.617 -3.065 1.00 0.78 C ATOM 0 H ALA A 21 10.282 -4.128 -2.407 1.00 0.75 H new ATOM 0 HA ALA A 21 9.023 -6.295 -3.820 1.00 0.79 H new ATOM 0 HB1 ALA A 21 7.006 -4.929 -3.539 1.00 0.78 H new ATOM 0 HB2 ALA A 21 7.954 -4.970 -2.034 1.00 0.78 H new ATOM 0 HB3 ALA A 21 8.002 -3.529 -3.077 1.00 0.78 H new ATOM 331 N ALA A 22 9.621 -3.513 -5.502 1.00 0.69 N ATOM 332 CA ALA A 22 9.708 -2.997 -6.896 1.00 0.75 C ATOM 333 C ALA A 22 10.712 -3.836 -7.670 1.00 0.81 C ATOM 334 O ALA A 22 10.559 -4.085 -8.846 1.00 0.90 O ATOM 335 CB ALA A 22 10.157 -1.535 -6.882 1.00 0.76 C ATOM 0 H ALA A 22 9.947 -2.871 -4.779 1.00 0.69 H new ATOM 0 HA ALA A 22 8.730 -3.060 -7.373 1.00 0.75 H new ATOM 0 HB1 ALA A 22 10.219 -1.164 -7.905 1.00 0.76 H new ATOM 0 HB2 ALA A 22 9.437 -0.939 -6.322 1.00 0.76 H new ATOM 0 HB3 ALA A 22 11.136 -1.460 -6.409 1.00 0.76 H new ATOM 341 N GLN A 23 11.735 -4.277 -7.007 1.00 0.83 N ATOM 342 CA GLN A 23 12.767 -5.110 -7.678 1.00 0.96 C ATOM 343 C GLN A 23 12.138 -6.421 -8.149 1.00 1.04 C ATOM 344 O GLN A 23 12.550 -6.999 -9.135 1.00 1.16 O ATOM 345 CB GLN A 23 13.896 -5.384 -6.688 1.00 1.04 C ATOM 346 CG GLN A 23 14.733 -4.120 -6.503 1.00 1.74 C ATOM 347 CD GLN A 23 15.677 -3.966 -7.695 1.00 2.45 C ATOM 348 OE1 GLN A 23 15.255 -3.360 -8.771 1.00 2.59 O flip ATOM 349 NE2 GLN A 23 16.806 -4.412 -7.652 1.00 3.25 N flip ATOM 0 H GLN A 23 11.905 -4.096 -6.018 1.00 0.83 H new ATOM 0 HA GLN A 23 13.168 -4.587 -8.546 1.00 0.96 H new ATOM 0 HB2 GLN A 23 13.484 -5.703 -5.731 1.00 1.04 H new ATOM 0 HB3 GLN A 23 14.523 -6.198 -7.052 1.00 1.04 H new ATOM 0 HG2 GLN A 23 14.084 -3.248 -6.422 1.00 1.74 H new ATOM 0 HG3 GLN A 23 15.304 -4.179 -5.576 1.00 1.74 H new ATOM 0 HE21 GLN A 23 17.136 -4.886 -6.811 1.00 3.25 H new ATOM 0 HE22 GLN A 23 17.424 -4.313 -8.457 1.00 3.25 H new ATOM 358 N SER A 24 11.140 -6.895 -7.454 1.00 1.04 N ATOM 359 CA SER A 24 10.490 -8.167 -7.869 1.00 1.20 C ATOM 360 C SER A 24 9.964 -8.027 -9.295 1.00 1.24 C ATOM 361 O SER A 24 10.044 -8.952 -10.080 1.00 1.38 O ATOM 362 CB SER A 24 9.324 -8.480 -6.931 1.00 1.26 C ATOM 363 OG SER A 24 8.832 -9.783 -7.216 1.00 1.76 O ATOM 0 H SER A 24 10.749 -6.457 -6.620 1.00 1.04 H new ATOM 0 HA SER A 24 11.220 -8.975 -7.824 1.00 1.20 H new ATOM 0 HB2 SER A 24 9.651 -8.421 -5.893 1.00 1.26 H new ATOM 0 HB3 SER A 24 8.531 -7.743 -7.058 1.00 1.26 H new ATOM 0 HG SER A 24 8.085 -9.989 -6.616 1.00 1.76 H new ATOM 369 N ILE A 25 9.433 -6.874 -9.635 1.00 1.14 N ATOM 370 CA ILE A 25 8.903 -6.661 -11.017 1.00 1.23 C ATOM 371 C ILE A 25 9.835 -5.718 -11.764 1.00 1.11 C ATOM 372 O ILE A 25 9.779 -5.588 -12.969 1.00 1.30 O ATOM 373 CB ILE A 25 7.507 -6.048 -10.932 1.00 1.37 C ATOM 374 CG1 ILE A 25 6.946 -5.861 -12.352 1.00 1.60 C ATOM 375 CG2 ILE A 25 7.599 -4.702 -10.201 1.00 1.27 C ATOM 376 CD1 ILE A 25 5.422 -5.840 -12.305 1.00 1.84 C ATOM 0 H ILE A 25 9.345 -6.071 -9.012 1.00 1.14 H new ATOM 0 HA ILE A 25 8.846 -7.612 -11.546 1.00 1.23 H new ATOM 0 HB ILE A 25 6.836 -6.705 -10.379 1.00 1.37 H new ATOM 0 HG12 ILE A 25 7.319 -4.931 -12.781 1.00 1.60 H new ATOM 0 HG13 ILE A 25 7.288 -6.670 -12.998 1.00 1.60 H new ATOM 0 HG21 ILE A 25 6.607 -4.255 -10.135 1.00 1.27 H new ATOM 0 HG22 ILE A 25 7.994 -4.859 -9.197 1.00 1.27 H new ATOM 0 HG23 ILE A 25 8.262 -4.034 -10.751 1.00 1.27 H new ATOM 0 HD11 ILE A 25 5.029 -5.707 -13.313 1.00 1.84 H new ATOM 0 HD12 ILE A 25 5.058 -6.782 -11.894 1.00 1.84 H new ATOM 0 HD13 ILE A 25 5.089 -5.016 -11.674 1.00 1.84 H new ATOM 388 N ASP A 26 10.690 -5.068 -11.037 1.00 1.04 N ATOM 389 CA ASP A 26 11.658 -4.121 -11.649 1.00 1.03 C ATOM 390 C ASP A 26 10.965 -2.808 -12.024 1.00 1.24 C ATOM 391 O ASP A 26 11.147 -2.310 -13.119 1.00 1.99 O ATOM 392 CB ASP A 26 12.281 -4.752 -12.900 1.00 1.36 C ATOM 393 CG ASP A 26 13.704 -4.221 -13.082 1.00 1.94 C ATOM 394 OD1 ASP A 26 13.852 -3.183 -13.705 1.00 2.63 O ATOM 395 OD2 ASP A 26 14.620 -4.861 -12.594 1.00 2.49 O ATOM 0 H ASP A 26 10.762 -5.153 -10.023 1.00 1.04 H new ATOM 0 HA ASP A 26 12.441 -3.906 -10.921 1.00 1.03 H new ATOM 0 HB2 ASP A 26 12.296 -5.838 -12.804 1.00 1.36 H new ATOM 0 HB3 ASP A 26 11.679 -4.517 -13.778 1.00 1.36 H new ATOM 400 N ARG A 27 10.183 -2.240 -11.122 1.00 1.04 N ATOM 401 CA ARG A 27 9.483 -0.949 -11.426 1.00 1.49 C ATOM 402 C ARG A 27 9.905 0.164 -10.472 1.00 0.94 C ATOM 403 O ARG A 27 10.803 0.030 -9.664 1.00 1.29 O ATOM 404 CB ARG A 27 7.967 -1.129 -11.381 1.00 2.55 C ATOM 405 CG ARG A 27 7.525 -1.805 -12.681 1.00 3.33 C ATOM 406 CD ARG A 27 6.018 -2.059 -12.648 1.00 4.16 C ATOM 407 NE ARG A 27 5.405 -1.659 -13.948 1.00 4.68 N ATOM 408 CZ ARG A 27 5.420 -0.405 -14.323 1.00 5.32 C ATOM 409 NH1 ARG A 27 6.004 0.494 -13.576 1.00 5.56 N ATOM 410 NH2 ARG A 27 4.859 -0.053 -15.446 1.00 6.03 N ATOM 0 H ARG A 27 10.003 -2.618 -10.192 1.00 1.04 H new ATOM 0 HA ARG A 27 9.776 -0.656 -12.434 1.00 1.49 H new ATOM 0 HB2 ARG A 27 7.682 -1.736 -10.521 1.00 2.55 H new ATOM 0 HB3 ARG A 27 7.473 -0.164 -11.268 1.00 2.55 H new ATOM 0 HG2 ARG A 27 7.778 -1.174 -13.533 1.00 3.33 H new ATOM 0 HG3 ARG A 27 8.059 -2.746 -12.811 1.00 3.33 H new ATOM 0 HD2 ARG A 27 5.823 -3.114 -12.454 1.00 4.16 H new ATOM 0 HD3 ARG A 27 5.564 -1.495 -11.833 1.00 4.16 H new ATOM 0 HE ARG A 27 4.973 -2.364 -14.546 1.00 4.68 H new ATOM 0 HH11 ARG A 27 6.449 0.219 -12.700 1.00 5.56 H new ATOM 0 HH12 ARG A 27 6.015 1.471 -13.869 1.00 5.56 H new ATOM 0 HH21 ARG A 27 4.408 -0.755 -16.033 1.00 6.03 H new ATOM 0 HH22 ARG A 27 4.871 0.924 -15.738 1.00 6.03 H new ATOM 424 N THR A 28 9.289 1.289 -10.653 1.00 1.12 N ATOM 425 CA THR A 28 9.622 2.516 -9.888 1.00 1.12 C ATOM 426 C THR A 28 9.036 2.503 -8.438 1.00 0.95 C ATOM 427 O THR A 28 7.928 2.063 -8.226 1.00 1.01 O ATOM 428 CB THR A 28 9.021 3.652 -10.736 1.00 1.80 C ATOM 429 OG1 THR A 28 10.006 4.117 -11.647 1.00 2.76 O ATOM 430 CG2 THR A 28 8.542 4.822 -9.877 1.00 2.48 C ATOM 0 H THR A 28 8.536 1.415 -11.329 1.00 1.12 H new ATOM 0 HA THR A 28 10.696 2.622 -9.737 1.00 1.12 H new ATOM 0 HB THR A 28 8.156 3.253 -11.265 1.00 1.80 H new ATOM 0 HG1 THR A 28 9.632 4.840 -12.193 1.00 2.76 H new ATOM 0 HG21 THR A 28 8.126 5.598 -10.519 1.00 2.48 H new ATOM 0 HG22 THR A 28 7.775 4.475 -9.184 1.00 2.48 H new ATOM 0 HG23 THR A 28 9.382 5.228 -9.314 1.00 2.48 H new ATOM 438 N PRO A 29 9.765 2.986 -7.430 1.00 0.93 N ATOM 439 CA PRO A 29 9.253 3.027 -6.016 1.00 0.99 C ATOM 440 C PRO A 29 7.816 3.584 -5.876 1.00 1.01 C ATOM 441 O PRO A 29 6.926 2.890 -5.462 1.00 1.17 O ATOM 442 CB PRO A 29 10.226 3.956 -5.294 1.00 1.30 C ATOM 443 CG PRO A 29 11.502 3.892 -6.062 1.00 1.24 C ATOM 444 CD PRO A 29 11.154 3.506 -7.502 1.00 1.09 C ATOM 0 HA PRO A 29 9.200 2.016 -5.612 1.00 0.99 H new ATOM 0 HB2 PRO A 29 9.841 4.975 -5.261 1.00 1.30 H new ATOM 0 HB3 PRO A 29 10.375 3.639 -4.262 1.00 1.30 H new ATOM 0 HG2 PRO A 29 12.014 4.854 -6.036 1.00 1.24 H new ATOM 0 HG3 PRO A 29 12.178 3.159 -5.621 1.00 1.24 H new ATOM 0 HD2 PRO A 29 11.221 4.365 -8.169 1.00 1.09 H new ATOM 0 HD3 PRO A 29 11.840 2.751 -7.886 1.00 1.09 H new ATOM 452 N HIS A 30 7.575 4.830 -6.196 1.00 1.12 N ATOM 453 CA HIS A 30 6.178 5.371 -6.047 1.00 1.25 C ATOM 454 C HIS A 30 5.218 4.401 -6.714 1.00 1.10 C ATOM 455 O HIS A 30 4.244 3.942 -6.150 1.00 1.06 O ATOM 456 CB HIS A 30 6.084 6.702 -6.782 1.00 1.55 C ATOM 457 CG HIS A 30 5.022 7.566 -6.165 1.00 2.03 C ATOM 458 ND1 HIS A 30 3.824 7.267 -5.565 1.00 2.68 N flip ATOM 459 CD2 HIS A 30 5.126 8.950 -6.137 1.00 2.45 C flip ATOM 460 CE1 HIS A 30 3.197 8.444 -5.173 1.00 3.37 C flip ATOM 461 NE2 HIS A 30 4.020 9.428 -5.540 1.00 3.30 N flip ATOM 0 H HIS A 30 8.267 5.491 -6.548 1.00 1.12 H new ATOM 0 HA HIS A 30 5.936 5.499 -4.992 1.00 1.25 H new ATOM 0 HB2 HIS A 30 7.046 7.214 -6.745 1.00 1.55 H new ATOM 0 HB3 HIS A 30 5.856 6.529 -7.834 1.00 1.55 H new ATOM 0 HD2 HIS A 30 5.946 9.536 -6.524 1.00 2.45 H new ATOM 0 HE1 HIS A 30 2.243 8.542 -4.676 1.00 3.37 H new ATOM 0 HE2 HIS A 30 3.833 10.419 -5.387 1.00 3.30 H new ATOM 470 N TRP A 31 5.536 4.093 -7.918 1.00 1.10 N ATOM 471 CA TRP A 31 4.750 3.154 -8.733 1.00 1.13 C ATOM 472 C TRP A 31 4.664 1.801 -8.008 1.00 0.86 C ATOM 473 O TRP A 31 3.669 1.110 -8.058 1.00 0.88 O ATOM 474 CB TRP A 31 5.483 3.043 -10.062 1.00 1.40 C ATOM 475 CG TRP A 31 4.753 2.195 -11.017 1.00 1.18 C ATOM 476 CD1 TRP A 31 4.806 0.860 -11.020 1.00 1.41 C ATOM 477 CD2 TRP A 31 3.904 2.588 -12.128 1.00 2.11 C ATOM 478 NE1 TRP A 31 4.057 0.393 -12.069 1.00 2.15 N ATOM 479 CE2 TRP A 31 3.466 1.419 -12.781 1.00 2.58 C ATOM 480 CE3 TRP A 31 3.476 3.831 -12.626 1.00 3.04 C ATOM 481 CZ2 TRP A 31 2.630 1.473 -13.897 1.00 3.69 C ATOM 482 CZ3 TRP A 31 2.633 3.893 -13.748 1.00 4.10 C ATOM 483 CH2 TRP A 31 2.211 2.715 -14.382 1.00 4.36 C ATOM 0 H TRP A 31 6.352 4.473 -8.398 1.00 1.10 H new ATOM 0 HA TRP A 31 3.726 3.490 -8.895 1.00 1.13 H new ATOM 0 HB2 TRP A 31 5.618 4.037 -10.487 1.00 1.40 H new ATOM 0 HB3 TRP A 31 6.478 2.630 -9.895 1.00 1.40 H new ATOM 0 HD1 TRP A 31 5.349 0.250 -10.313 1.00 1.41 H new ATOM 0 HE1 TRP A 31 3.949 -0.595 -12.297 1.00 2.15 H new ATOM 0 HE3 TRP A 31 3.797 4.743 -12.144 1.00 3.04 H new ATOM 0 HZ2 TRP A 31 2.309 0.563 -14.382 1.00 3.69 H new ATOM 0 HZ3 TRP A 31 2.308 4.852 -14.124 1.00 4.10 H new ATOM 0 HH2 TRP A 31 1.563 2.768 -15.244 1.00 4.36 H new ATOM 494 N LEU A 32 5.687 1.419 -7.307 1.00 0.71 N ATOM 495 CA LEU A 32 5.604 0.134 -6.559 1.00 0.56 C ATOM 496 C LEU A 32 4.505 0.277 -5.509 1.00 0.52 C ATOM 497 O LEU A 32 3.720 -0.618 -5.276 1.00 0.57 O ATOM 498 CB LEU A 32 6.968 -0.196 -5.899 1.00 0.57 C ATOM 499 CG LEU A 32 6.880 -1.378 -4.906 1.00 0.96 C ATOM 500 CD1 LEU A 32 6.169 -0.998 -3.600 1.00 1.51 C ATOM 501 CD2 LEU A 32 6.193 -2.571 -5.560 1.00 1.89 C ATOM 0 H LEU A 32 6.566 1.929 -7.217 1.00 0.71 H new ATOM 0 HA LEU A 32 5.366 -0.688 -7.234 1.00 0.56 H new ATOM 0 HB2 LEU A 32 7.695 -0.433 -6.676 1.00 0.57 H new ATOM 0 HB3 LEU A 32 7.337 0.686 -5.376 1.00 0.57 H new ATOM 0 HG LEU A 32 7.902 -1.651 -4.643 1.00 0.96 H new ATOM 0 HD11 LEU A 32 6.135 -1.864 -2.939 1.00 1.51 H new ATOM 0 HD12 LEU A 32 6.713 -0.190 -3.111 1.00 1.51 H new ATOM 0 HD13 LEU A 32 5.153 -0.670 -3.821 1.00 1.51 H new ATOM 0 HD21 LEU A 32 6.139 -3.395 -4.848 1.00 1.89 H new ATOM 0 HD22 LEU A 32 5.186 -2.288 -5.865 1.00 1.89 H new ATOM 0 HD23 LEU A 32 6.763 -2.884 -6.435 1.00 1.89 H new ATOM 513 N ILE A 33 4.452 1.399 -4.853 1.00 0.54 N ATOM 514 CA ILE A 33 3.423 1.562 -3.793 1.00 0.58 C ATOM 515 C ILE A 33 2.058 1.180 -4.349 1.00 0.64 C ATOM 516 O ILE A 33 1.270 0.540 -3.682 1.00 0.65 O ATOM 517 CB ILE A 33 3.327 3.010 -3.305 1.00 0.69 C ATOM 518 CG1 ILE A 33 4.717 3.570 -3.014 1.00 0.84 C ATOM 519 CG2 ILE A 33 2.503 3.058 -2.015 1.00 1.04 C ATOM 520 CD1 ILE A 33 4.596 5.027 -2.560 1.00 1.19 C ATOM 0 H ILE A 33 5.066 2.200 -5.001 1.00 0.54 H new ATOM 0 HA ILE A 33 3.715 0.921 -2.961 1.00 0.58 H new ATOM 0 HB ILE A 33 2.852 3.607 -4.084 1.00 0.69 H new ATOM 0 HG12 ILE A 33 5.205 2.977 -2.241 1.00 0.84 H new ATOM 0 HG13 ILE A 33 5.340 3.506 -3.906 1.00 0.84 H new ATOM 0 HG21 ILE A 33 2.433 4.088 -1.666 1.00 1.04 H new ATOM 0 HG22 ILE A 33 1.502 2.672 -2.208 1.00 1.04 H new ATOM 0 HG23 ILE A 33 2.986 2.448 -1.252 1.00 1.04 H new ATOM 0 HD11 ILE A 33 5.588 5.427 -2.352 1.00 1.19 H new ATOM 0 HD12 ILE A 33 4.125 5.616 -3.347 1.00 1.19 H new ATOM 0 HD13 ILE A 33 3.988 5.077 -1.657 1.00 1.19 H new ATOM 532 N LYS A 34 1.746 1.583 -5.554 1.00 0.74 N ATOM 533 CA LYS A 34 0.388 1.226 -6.073 1.00 0.86 C ATOM 534 C LYS A 34 0.268 -0.302 -6.137 1.00 0.80 C ATOM 535 O LYS A 34 -0.744 -0.863 -5.780 1.00 0.87 O ATOM 536 CB LYS A 34 0.035 1.815 -7.465 1.00 1.05 C ATOM 537 CG LYS A 34 1.057 2.835 -8.011 1.00 1.63 C ATOM 538 CD LYS A 34 1.054 2.777 -9.538 1.00 2.07 C ATOM 539 CE LYS A 34 -0.376 2.946 -10.055 1.00 3.03 C ATOM 540 NZ LYS A 34 -0.345 3.613 -11.386 1.00 3.55 N ATOM 0 H LYS A 34 2.343 2.122 -6.181 1.00 0.74 H new ATOM 0 HA LYS A 34 -0.321 1.672 -5.375 1.00 0.86 H new ATOM 0 HB2 LYS A 34 -0.057 0.996 -8.178 1.00 1.05 H new ATOM 0 HB3 LYS A 34 -0.941 2.296 -7.404 1.00 1.05 H new ATOM 0 HG2 LYS A 34 0.803 3.840 -7.672 1.00 1.63 H new ATOM 0 HG3 LYS A 34 2.053 2.611 -7.628 1.00 1.63 H new ATOM 0 HD2 LYS A 34 1.693 3.562 -9.943 1.00 2.07 H new ATOM 0 HD3 LYS A 34 1.464 1.825 -9.877 1.00 2.07 H new ATOM 0 HE2 LYS A 34 -0.863 1.974 -10.134 1.00 3.03 H new ATOM 0 HE3 LYS A 34 -0.961 3.539 -9.352 1.00 3.03 H new ATOM 0 HZ1 LYS A 34 -1.316 3.729 -11.739 1.00 3.55 H new ATOM 0 HZ2 LYS A 34 0.104 4.547 -11.296 1.00 3.55 H new ATOM 0 HZ3 LYS A 34 0.199 3.030 -12.054 1.00 3.55 H new ATOM 553 N GLN A 35 1.282 -1.000 -6.576 1.00 0.72 N ATOM 554 CA GLN A 35 1.156 -2.486 -6.613 1.00 0.74 C ATOM 555 C GLN A 35 1.046 -2.985 -5.181 1.00 0.66 C ATOM 556 O GLN A 35 0.148 -3.723 -4.830 1.00 0.74 O ATOM 557 CB GLN A 35 2.392 -3.125 -7.233 1.00 0.79 C ATOM 558 CG GLN A 35 2.866 -2.304 -8.419 1.00 1.54 C ATOM 559 CD GLN A 35 3.953 -3.087 -9.154 1.00 2.16 C ATOM 560 OE1 GLN A 35 4.463 -2.643 -10.159 1.00 2.64 O ATOM 561 NE2 GLN A 35 4.325 -4.250 -8.692 1.00 2.80 N ATOM 0 H GLN A 35 2.170 -0.618 -6.903 1.00 0.72 H new ATOM 0 HA GLN A 35 0.281 -2.750 -7.207 1.00 0.74 H new ATOM 0 HB2 GLN A 35 3.186 -3.196 -6.489 1.00 0.79 H new ATOM 0 HB3 GLN A 35 2.163 -4.142 -7.553 1.00 0.79 H new ATOM 0 HG2 GLN A 35 2.033 -2.093 -9.090 1.00 1.54 H new ATOM 0 HG3 GLN A 35 3.255 -1.343 -8.082 1.00 1.54 H new ATOM 0 HE21 GLN A 35 3.895 -4.624 -7.846 1.00 2.80 H new ATOM 0 HE22 GLN A 35 5.045 -4.785 -9.177 1.00 2.80 H new ATOM 570 N ALA A 36 1.970 -2.585 -4.352 1.00 0.55 N ATOM 571 CA ALA A 36 1.946 -3.046 -2.938 1.00 0.51 C ATOM 572 C ALA A 36 0.559 -2.863 -2.344 1.00 0.48 C ATOM 573 O ALA A 36 0.161 -3.627 -1.499 1.00 0.63 O ATOM 574 CB ALA A 36 2.952 -2.258 -2.100 1.00 0.50 C ATOM 0 H ALA A 36 2.739 -1.960 -4.593 1.00 0.55 H new ATOM 0 HA ALA A 36 2.212 -4.103 -2.925 1.00 0.51 H new ATOM 0 HB1 ALA A 36 2.920 -2.609 -1.069 1.00 0.50 H new ATOM 0 HB2 ALA A 36 3.954 -2.404 -2.502 1.00 0.50 H new ATOM 0 HB3 ALA A 36 2.700 -1.198 -2.130 1.00 0.50 H new ATOM 580 N ILE A 37 -0.178 -1.864 -2.761 1.00 0.47 N ATOM 581 CA ILE A 37 -1.542 -1.675 -2.187 1.00 0.51 C ATOM 582 C ILE A 37 -2.573 -2.409 -3.046 1.00 0.55 C ATOM 583 O ILE A 37 -3.330 -3.207 -2.545 1.00 0.57 O ATOM 584 CB ILE A 37 -1.866 -0.156 -2.059 1.00 0.60 C ATOM 585 CG1 ILE A 37 -2.725 0.083 -0.813 1.00 0.81 C ATOM 586 CG2 ILE A 37 -2.626 0.382 -3.280 1.00 0.76 C ATOM 587 CD1 ILE A 37 -1.831 0.262 0.414 1.00 0.99 C ATOM 0 H ILE A 37 0.102 -1.180 -3.464 1.00 0.47 H new ATOM 0 HA ILE A 37 -1.580 -2.102 -1.185 1.00 0.51 H new ATOM 0 HB ILE A 37 -0.914 0.370 -1.987 1.00 0.60 H new ATOM 0 HG12 ILE A 37 -3.345 0.968 -0.953 1.00 0.81 H new ATOM 0 HG13 ILE A 37 -3.401 -0.758 -0.661 1.00 0.81 H new ATOM 0 HG21 ILE A 37 -2.829 1.444 -3.143 1.00 0.76 H new ATOM 0 HG22 ILE A 37 -2.022 0.240 -4.176 1.00 0.76 H new ATOM 0 HG23 ILE A 37 -3.568 -0.156 -3.388 1.00 0.76 H new ATOM 0 HD11 ILE A 37 -2.451 0.431 1.294 1.00 0.99 H new ATOM 0 HD12 ILE A 37 -1.230 -0.636 0.560 1.00 0.99 H new ATOM 0 HD13 ILE A 37 -1.173 1.118 0.263 1.00 0.99 H new ATOM 599 N PHE A 38 -2.610 -2.167 -4.325 1.00 0.61 N ATOM 600 CA PHE A 38 -3.610 -2.866 -5.181 1.00 0.71 C ATOM 601 C PHE A 38 -3.189 -4.311 -5.392 1.00 0.68 C ATOM 602 O PHE A 38 -3.988 -5.218 -5.275 1.00 0.70 O ATOM 603 CB PHE A 38 -3.749 -2.119 -6.521 1.00 0.93 C ATOM 604 CG PHE A 38 -3.447 -3.034 -7.693 1.00 0.87 C ATOM 605 CD1 PHE A 38 -4.315 -4.088 -8.009 1.00 1.72 C ATOM 606 CD2 PHE A 38 -2.302 -2.817 -8.472 1.00 1.80 C ATOM 607 CE1 PHE A 38 -4.033 -4.926 -9.094 1.00 2.53 C ATOM 608 CE2 PHE A 38 -2.022 -3.656 -9.557 1.00 2.56 C ATOM 609 CZ PHE A 38 -2.888 -4.710 -9.869 1.00 2.75 C ATOM 0 H PHE A 38 -1.994 -1.518 -4.815 1.00 0.61 H new ATOM 0 HA PHE A 38 -4.582 -2.870 -4.689 1.00 0.71 H new ATOM 0 HB2 PHE A 38 -4.760 -1.723 -6.616 1.00 0.93 H new ATOM 0 HB3 PHE A 38 -3.070 -1.267 -6.537 1.00 0.93 H new ATOM 0 HD1 PHE A 38 -5.202 -4.254 -7.415 1.00 1.72 H new ATOM 0 HD2 PHE A 38 -1.635 -2.001 -8.235 1.00 1.80 H new ATOM 0 HE1 PHE A 38 -4.700 -5.741 -9.334 1.00 2.53 H new ATOM 0 HE2 PHE A 38 -1.137 -3.490 -10.154 1.00 2.56 H new ATOM 0 HZ PHE A 38 -2.673 -5.356 -10.707 1.00 2.75 H new ATOM 619 N ASN A 39 -1.950 -4.550 -5.698 1.00 0.69 N ATOM 620 CA ASN A 39 -1.530 -5.951 -5.900 1.00 0.75 C ATOM 621 C ASN A 39 -1.798 -6.699 -4.616 1.00 0.68 C ATOM 622 O ASN A 39 -2.155 -7.860 -4.617 1.00 0.73 O ATOM 623 CB ASN A 39 -0.049 -6.018 -6.229 1.00 0.84 C ATOM 624 CG ASN A 39 0.266 -7.328 -6.963 1.00 0.93 C ATOM 625 OD1 ASN A 39 -0.623 -8.092 -7.285 1.00 1.50 O ATOM 626 ND2 ASN A 39 1.506 -7.625 -7.237 1.00 1.18 N ATOM 0 H ASN A 39 -1.222 -3.846 -5.815 1.00 0.69 H new ATOM 0 HA ASN A 39 -2.083 -6.392 -6.730 1.00 0.75 H new ATOM 0 HB2 ASN A 39 0.233 -5.167 -6.849 1.00 0.84 H new ATOM 0 HB3 ASN A 39 0.539 -5.954 -5.313 1.00 0.84 H new ATOM 0 HD21 ASN A 39 1.727 -8.496 -7.720 1.00 1.18 H new ATOM 0 HD22 ASN A 39 2.255 -6.986 -6.968 1.00 1.18 H new ATOM 633 N TYR A 40 -1.645 -6.032 -3.507 1.00 0.60 N ATOM 634 CA TYR A 40 -1.912 -6.702 -2.228 1.00 0.60 C ATOM 635 C TYR A 40 -3.358 -7.158 -2.237 1.00 0.56 C ATOM 636 O TYR A 40 -3.688 -8.212 -1.736 1.00 0.63 O ATOM 637 CB TYR A 40 -1.637 -5.713 -1.100 1.00 0.58 C ATOM 638 CG TYR A 40 -2.404 -6.052 0.149 1.00 0.64 C ATOM 639 CD1 TYR A 40 -1.941 -7.049 1.011 1.00 1.24 C ATOM 640 CD2 TYR A 40 -3.560 -5.330 0.466 1.00 1.50 C ATOM 641 CE1 TYR A 40 -2.638 -7.327 2.190 1.00 1.31 C ATOM 642 CE2 TYR A 40 -4.260 -5.612 1.641 1.00 1.57 C ATOM 643 CZ TYR A 40 -3.798 -6.609 2.506 1.00 0.91 C ATOM 644 OH TYR A 40 -4.483 -6.884 3.670 1.00 1.08 O ATOM 0 H TYR A 40 -1.348 -5.058 -3.441 1.00 0.60 H new ATOM 0 HA TYR A 40 -1.272 -7.572 -2.079 1.00 0.60 H new ATOM 0 HB2 TYR A 40 -0.570 -5.704 -0.878 1.00 0.58 H new ATOM 0 HB3 TYR A 40 -1.903 -4.708 -1.427 1.00 0.58 H new ATOM 0 HD1 TYR A 40 -1.047 -7.603 0.767 1.00 1.24 H new ATOM 0 HD2 TYR A 40 -3.911 -4.554 -0.198 1.00 1.50 H new ATOM 0 HE1 TYR A 40 -2.281 -8.097 2.858 1.00 1.31 H new ATOM 0 HE2 TYR A 40 -5.157 -5.061 1.881 1.00 1.57 H new ATOM 0 HH TYR A 40 -4.925 -6.070 3.989 1.00 1.08 H new ATOM 654 N LEU A 41 -4.228 -6.401 -2.845 1.00 0.51 N ATOM 655 CA LEU A 41 -5.644 -6.864 -2.900 1.00 0.54 C ATOM 656 C LEU A 41 -5.711 -8.072 -3.829 1.00 0.65 C ATOM 657 O LEU A 41 -6.349 -9.065 -3.541 1.00 0.73 O ATOM 658 CB LEU A 41 -6.564 -5.783 -3.467 1.00 0.56 C ATOM 659 CG LEU A 41 -6.421 -4.473 -2.684 1.00 0.48 C ATOM 660 CD1 LEU A 41 -7.246 -3.377 -3.368 1.00 1.21 C ATOM 661 CD2 LEU A 41 -6.898 -4.645 -1.227 1.00 1.07 C ATOM 0 H LEU A 41 -4.030 -5.507 -3.295 1.00 0.51 H new ATOM 0 HA LEU A 41 -5.970 -7.106 -1.889 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -6.325 -5.611 -4.517 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -7.599 -6.124 -3.427 1.00 0.56 H new ATOM 0 HG LEU A 41 -5.368 -4.192 -2.670 1.00 0.48 H new ATOM 0 HD11 LEU A 41 -7.145 -2.445 -2.812 1.00 1.21 H new ATOM 0 HD12 LEU A 41 -6.886 -3.233 -4.387 1.00 1.21 H new ATOM 0 HD13 LEU A 41 -8.295 -3.673 -3.393 1.00 1.21 H new ATOM 0 HD21 LEU A 41 -6.786 -3.701 -0.694 1.00 1.07 H new ATOM 0 HD22 LEU A 41 -7.946 -4.943 -1.220 1.00 1.07 H new ATOM 0 HD23 LEU A 41 -6.299 -5.412 -0.736 1.00 1.07 H new ATOM 673 N GLU A 42 -5.058 -7.981 -4.956 1.00 0.71 N ATOM 674 CA GLU A 42 -5.082 -9.106 -5.926 1.00 0.86 C ATOM 675 C GLU A 42 -4.428 -10.341 -5.315 1.00 0.91 C ATOM 676 O GLU A 42 -4.776 -11.460 -5.632 1.00 1.03 O ATOM 677 CB GLU A 42 -4.341 -8.711 -7.203 1.00 0.95 C ATOM 678 CG GLU A 42 -4.582 -9.775 -8.276 1.00 1.44 C ATOM 679 CD GLU A 42 -3.751 -9.452 -9.517 1.00 2.07 C ATOM 680 OE1 GLU A 42 -2.658 -8.934 -9.356 1.00 2.51 O ATOM 681 OE2 GLU A 42 -4.220 -9.731 -10.608 1.00 2.74 O ATOM 0 H GLU A 42 -4.508 -7.172 -5.245 1.00 0.71 H new ATOM 0 HA GLU A 42 -6.119 -9.336 -6.169 1.00 0.86 H new ATOM 0 HB2 GLU A 42 -4.689 -7.739 -7.553 1.00 0.95 H new ATOM 0 HB3 GLU A 42 -3.274 -8.615 -7.003 1.00 0.95 H new ATOM 0 HG2 GLU A 42 -4.313 -10.759 -7.893 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -5.640 -9.812 -8.534 1.00 1.44 H new ATOM 688 N LYS A 43 -3.477 -10.159 -4.448 1.00 0.87 N ATOM 689 CA LYS A 43 -2.823 -11.343 -3.838 1.00 0.99 C ATOM 690 C LYS A 43 -3.829 -12.069 -2.949 1.00 1.01 C ATOM 691 O LYS A 43 -4.213 -13.193 -3.205 1.00 1.15 O ATOM 692 CB LYS A 43 -1.623 -10.906 -2.995 1.00 1.02 C ATOM 693 CG LYS A 43 -0.326 -11.240 -3.736 1.00 1.21 C ATOM 694 CD LYS A 43 0.869 -10.829 -2.879 1.00 1.27 C ATOM 695 CE LYS A 43 2.166 -11.162 -3.620 1.00 1.37 C ATOM 696 NZ LYS A 43 2.879 -9.901 -3.969 1.00 1.90 N ATOM 0 H LYS A 43 -3.127 -9.252 -4.138 1.00 0.87 H new ATOM 0 HA LYS A 43 -2.477 -12.009 -4.629 1.00 0.99 H new ATOM 0 HB2 LYS A 43 -1.675 -9.835 -2.797 1.00 1.02 H new ATOM 0 HB3 LYS A 43 -1.642 -11.410 -2.029 1.00 1.02 H new ATOM 0 HG2 LYS A 43 -0.282 -12.307 -3.952 1.00 1.21 H new ATOM 0 HG3 LYS A 43 -0.297 -10.720 -4.693 1.00 1.21 H new ATOM 0 HD2 LYS A 43 0.825 -9.762 -2.662 1.00 1.27 H new ATOM 0 HD3 LYS A 43 0.840 -11.350 -1.922 1.00 1.27 H new ATOM 0 HE2 LYS A 43 2.802 -11.791 -2.997 1.00 1.37 H new ATOM 0 HE3 LYS A 43 1.945 -11.729 -4.524 1.00 1.37 H new ATOM 0 HZ1 LYS A 43 3.645 -10.110 -4.641 1.00 1.90 H new ATOM 0 HZ2 LYS A 43 2.210 -9.233 -4.403 1.00 1.90 H new ATOM 0 HZ3 LYS A 43 3.280 -9.479 -3.107 1.00 1.90 H new ATOM 710 N LEU A 44 -4.245 -11.429 -1.897 1.00 0.93 N ATOM 711 CA LEU A 44 -5.217 -12.056 -0.957 1.00 1.03 C ATOM 712 C LEU A 44 -6.615 -12.071 -1.535 1.00 1.08 C ATOM 713 O LEU A 44 -7.551 -12.512 -0.899 1.00 1.28 O ATOM 714 CB LEU A 44 -5.229 -11.281 0.354 1.00 0.99 C ATOM 715 CG LEU A 44 -5.577 -9.815 0.060 1.00 0.77 C ATOM 716 CD1 LEU A 44 -6.960 -9.502 0.633 1.00 0.86 C ATOM 717 CD2 LEU A 44 -4.542 -8.890 0.709 1.00 0.80 C ATOM 0 H LEU A 44 -3.951 -10.486 -1.643 1.00 0.93 H new ATOM 0 HA LEU A 44 -4.904 -13.086 -0.787 1.00 1.03 H new ATOM 0 HB2 LEU A 44 -5.958 -11.712 1.040 1.00 0.99 H new ATOM 0 HB3 LEU A 44 -4.256 -11.347 0.840 1.00 0.99 H new ATOM 0 HG LEU A 44 -5.575 -9.655 -1.018 1.00 0.77 H new ATOM 0 HD11 LEU A 44 -7.212 -8.462 0.427 1.00 0.86 H new ATOM 0 HD12 LEU A 44 -7.701 -10.154 0.171 1.00 0.86 H new ATOM 0 HD13 LEU A 44 -6.953 -9.667 1.710 1.00 0.86 H new ATOM 0 HD21 LEU A 44 -4.797 -7.852 0.495 1.00 0.80 H new ATOM 0 HD22 LEU A 44 -4.538 -9.048 1.787 1.00 0.80 H new ATOM 0 HD23 LEU A 44 -3.553 -9.111 0.307 1.00 0.80 H new ATOM 729 N GLU A 45 -6.778 -11.608 -2.718 1.00 1.02 N ATOM 730 CA GLU A 45 -8.129 -11.616 -3.301 1.00 1.15 C ATOM 731 C GLU A 45 -8.628 -13.065 -3.329 1.00 2.15 C ATOM 732 O GLU A 45 -7.912 -13.969 -3.712 1.00 2.87 O ATOM 733 CB GLU A 45 -8.028 -11.027 -4.708 1.00 1.69 C ATOM 734 CG GLU A 45 -9.014 -11.690 -5.659 1.00 2.46 C ATOM 735 CD GLU A 45 -10.423 -11.651 -5.059 1.00 3.39 C ATOM 736 OE1 GLU A 45 -10.848 -10.577 -4.663 1.00 3.98 O ATOM 737 OE2 GLU A 45 -11.053 -12.694 -5.009 1.00 3.89 O ATOM 0 H GLU A 45 -6.041 -11.224 -3.310 1.00 1.02 H new ATOM 0 HA GLU A 45 -8.834 -11.022 -2.720 1.00 1.15 H new ATOM 0 HB2 GLU A 45 -8.221 -9.955 -4.670 1.00 1.69 H new ATOM 0 HB3 GLU A 45 -7.014 -11.155 -5.086 1.00 1.69 H new ATOM 0 HG2 GLU A 45 -9.005 -11.178 -6.621 1.00 2.46 H new ATOM 0 HG3 GLU A 45 -8.716 -12.722 -5.844 1.00 2.46 H new TER 744 GLU A 45 ATOM 745 N MET B 46 4.380 4.726 15.093 1.00 2.06 N ATOM 746 CA MET B 46 5.480 4.133 14.283 1.00 1.81 C ATOM 747 C MET B 46 6.024 5.190 13.312 1.00 1.68 C ATOM 748 O MET B 46 5.395 6.200 13.069 1.00 1.87 O ATOM 749 CB MET B 46 4.946 2.924 13.508 1.00 2.04 C ATOM 750 CG MET B 46 4.255 1.964 14.481 1.00 2.28 C ATOM 751 SD MET B 46 4.192 0.302 13.762 1.00 2.83 S ATOM 752 CE MET B 46 2.814 0.583 12.623 1.00 2.77 C ATOM 0 HA MET B 46 6.287 3.805 14.938 1.00 1.81 H new ATOM 0 HB2 MET B 46 4.244 3.251 12.741 1.00 2.04 H new ATOM 0 HB3 MET B 46 5.763 2.416 12.996 1.00 2.04 H new ATOM 0 HG2 MET B 46 4.795 1.940 15.428 1.00 2.28 H new ATOM 0 HG3 MET B 46 3.246 2.315 14.698 1.00 2.28 H new ATOM 0 HE1 MET B 46 2.607 -0.333 12.070 1.00 2.77 H new ATOM 0 HE2 MET B 46 1.929 0.874 13.188 1.00 2.77 H new ATOM 0 HE3 MET B 46 3.076 1.377 11.924 1.00 2.77 H new ATOM 764 N ALA B 47 7.195 4.970 12.771 1.00 1.60 N ATOM 765 CA ALA B 47 7.798 5.964 11.827 1.00 1.72 C ATOM 766 C ALA B 47 6.955 6.072 10.557 1.00 1.38 C ATOM 767 O ALA B 47 7.420 5.809 9.467 1.00 1.50 O ATOM 768 CB ALA B 47 9.215 5.520 11.462 1.00 2.12 C ATOM 0 H ALA B 47 7.764 4.141 12.942 1.00 1.60 H new ATOM 0 HA ALA B 47 7.829 6.940 12.312 1.00 1.72 H new ATOM 0 HB1 ALA B 47 9.657 6.242 10.775 1.00 2.12 H new ATOM 0 HB2 ALA B 47 9.822 5.461 12.366 1.00 2.12 H new ATOM 0 HB3 ALA B 47 9.178 4.541 10.985 1.00 2.12 H new ATOM 774 N THR B 48 5.721 6.459 10.687 1.00 1.21 N ATOM 775 CA THR B 48 4.851 6.583 9.489 1.00 1.05 C ATOM 776 C THR B 48 5.119 7.904 8.774 1.00 0.98 C ATOM 777 O THR B 48 4.597 8.937 9.139 1.00 1.11 O ATOM 778 CB THR B 48 3.387 6.526 9.926 1.00 1.27 C ATOM 779 OG1 THR B 48 3.140 7.546 10.884 1.00 1.67 O ATOM 780 CG2 THR B 48 3.103 5.159 10.548 1.00 1.85 C ATOM 0 H THR B 48 5.275 6.696 11.574 1.00 1.21 H new ATOM 0 HA THR B 48 5.067 5.764 8.803 1.00 1.05 H new ATOM 0 HB THR B 48 2.738 6.677 9.063 1.00 1.27 H new ATOM 0 HG1 THR B 48 3.501 8.396 10.557 1.00 1.67 H new ATOM 0 HG21 THR B 48 2.060 5.112 10.862 1.00 1.85 H new ATOM 0 HG22 THR B 48 3.297 4.378 9.813 1.00 1.85 H new ATOM 0 HG23 THR B 48 3.749 5.012 11.413 1.00 1.85 H new ATOM 788 N THR B 49 5.894 7.868 7.723 1.00 0.89 N ATOM 789 CA THR B 49 6.146 9.112 6.952 1.00 0.89 C ATOM 790 C THR B 49 5.008 9.204 5.956 1.00 0.74 C ATOM 791 O THR B 49 4.581 8.196 5.425 1.00 0.80 O ATOM 792 CB THR B 49 7.481 9.035 6.210 1.00 1.01 C ATOM 793 OG1 THR B 49 8.456 8.438 7.053 1.00 1.41 O ATOM 794 CG2 THR B 49 7.926 10.447 5.832 1.00 1.27 C ATOM 0 H THR B 49 6.360 7.033 7.369 1.00 0.89 H new ATOM 0 HA THR B 49 6.196 9.982 7.607 1.00 0.89 H new ATOM 0 HB THR B 49 7.367 8.434 5.308 1.00 1.01 H new ATOM 0 HG1 THR B 49 9.312 8.386 6.578 1.00 1.41 H new ATOM 0 HG21 THR B 49 8.878 10.399 5.303 1.00 1.27 H new ATOM 0 HG22 THR B 49 7.175 10.905 5.188 1.00 1.27 H new ATOM 0 HG23 THR B 49 8.043 11.046 6.735 1.00 1.27 H new ATOM 802 N THR B 50 4.469 10.369 5.738 1.00 0.73 N ATOM 803 CA THR B 50 3.305 10.463 4.826 1.00 0.67 C ATOM 804 C THR B 50 3.698 10.714 3.380 1.00 0.73 C ATOM 805 O THR B 50 4.157 11.778 3.014 1.00 0.89 O ATOM 806 CB THR B 50 2.352 11.543 5.321 1.00 0.76 C ATOM 807 OG1 THR B 50 3.072 12.506 6.079 1.00 0.93 O ATOM 808 CG2 THR B 50 1.292 10.874 6.198 1.00 0.76 C ATOM 0 H THR B 50 4.781 11.249 6.148 1.00 0.73 H new ATOM 0 HA THR B 50 2.805 9.494 4.839 1.00 0.67 H new ATOM 0 HB THR B 50 1.879 12.048 4.479 1.00 0.76 H new ATOM 0 HG1 THR B 50 2.457 13.200 6.395 1.00 0.93 H new ATOM 0 HG21 THR B 50 0.596 11.628 6.566 1.00 0.76 H new ATOM 0 HG22 THR B 50 0.749 10.134 5.611 1.00 0.76 H new ATOM 0 HG23 THR B 50 1.775 10.384 7.043 1.00 0.76 H new ATOM 816 N LEU B 51 3.460 9.728 2.548 1.00 0.70 N ATOM 817 CA LEU B 51 3.750 9.870 1.086 1.00 0.84 C ATOM 818 C LEU B 51 2.415 9.853 0.358 1.00 0.74 C ATOM 819 O LEU B 51 1.463 9.286 0.836 1.00 0.82 O ATOM 820 CB LEU B 51 4.554 8.687 0.531 1.00 1.02 C ATOM 821 CG LEU B 51 5.589 8.161 1.522 1.00 0.82 C ATOM 822 CD1 LEU B 51 6.424 7.094 0.813 1.00 1.16 C ATOM 823 CD2 LEU B 51 6.525 9.268 1.970 1.00 1.11 C ATOM 0 H LEU B 51 3.074 8.824 2.822 1.00 0.70 H new ATOM 0 HA LEU B 51 4.322 10.787 0.944 1.00 0.84 H new ATOM 0 HB2 LEU B 51 3.870 7.881 0.265 1.00 1.02 H new ATOM 0 HB3 LEU B 51 5.058 8.994 -0.386 1.00 1.02 H new ATOM 0 HG LEU B 51 5.072 7.760 2.394 1.00 0.82 H new ATOM 0 HD11 LEU B 51 7.173 6.701 1.501 1.00 1.16 H new ATOM 0 HD12 LEU B 51 5.774 6.284 0.483 1.00 1.16 H new ATOM 0 HD13 LEU B 51 6.921 7.536 -0.051 1.00 1.16 H new ATOM 0 HD21 LEU B 51 7.252 8.866 2.676 1.00 1.11 H new ATOM 0 HD22 LEU B 51 7.046 9.676 1.104 1.00 1.11 H new ATOM 0 HD23 LEU B 51 5.950 10.058 2.453 1.00 1.11 H new ATOM 835 N GLY B 52 2.321 10.415 -0.803 1.00 0.79 N ATOM 836 CA GLY B 52 1.020 10.338 -1.512 1.00 0.72 C ATOM 837 C GLY B 52 0.861 8.911 -2.045 1.00 0.74 C ATOM 838 O GLY B 52 1.758 8.368 -2.660 1.00 0.87 O ATOM 0 H GLY B 52 3.067 10.915 -1.287 1.00 0.79 H new ATOM 0 HA2 GLY B 52 0.202 10.587 -0.836 1.00 0.72 H new ATOM 0 HA3 GLY B 52 0.988 11.057 -2.330 1.00 0.72 H new ATOM 842 N VAL B 53 -0.267 8.297 -1.813 1.00 0.72 N ATOM 843 CA VAL B 53 -0.482 6.904 -2.301 1.00 0.82 C ATOM 844 C VAL B 53 -1.207 6.973 -3.627 1.00 0.69 C ATOM 845 O VAL B 53 -1.579 8.030 -4.056 1.00 0.75 O ATOM 846 CB VAL B 53 -1.333 6.118 -1.288 1.00 1.05 C ATOM 847 CG1 VAL B 53 -2.818 6.179 -1.654 1.00 1.23 C ATOM 848 CG2 VAL B 53 -0.898 4.652 -1.278 1.00 1.84 C ATOM 0 H VAL B 53 -1.053 8.702 -1.304 1.00 0.72 H new ATOM 0 HA VAL B 53 0.476 6.398 -2.419 1.00 0.82 H new ATOM 0 HB VAL B 53 -1.187 6.568 -0.306 1.00 1.05 H new ATOM 0 HG11 VAL B 53 -3.397 5.616 -0.922 1.00 1.23 H new ATOM 0 HG12 VAL B 53 -3.150 7.217 -1.657 1.00 1.23 H new ATOM 0 HG13 VAL B 53 -2.967 5.748 -2.644 1.00 1.23 H new ATOM 0 HG21 VAL B 53 -1.502 4.098 -0.560 1.00 1.84 H new ATOM 0 HG22 VAL B 53 -1.034 4.225 -2.272 1.00 1.84 H new ATOM 0 HG23 VAL B 53 0.153 4.586 -0.995 1.00 1.84 H new ATOM 858 N LYS B 54 -1.429 5.857 -4.250 1.00 0.84 N ATOM 859 CA LYS B 54 -2.159 5.830 -5.544 1.00 0.86 C ATOM 860 C LYS B 54 -3.351 4.893 -5.410 1.00 0.87 C ATOM 861 O LYS B 54 -3.319 3.769 -5.872 1.00 1.09 O ATOM 862 CB LYS B 54 -1.222 5.290 -6.595 1.00 1.18 C ATOM 863 CG LYS B 54 -0.052 6.260 -6.789 1.00 1.73 C ATOM 864 CD LYS B 54 0.073 6.620 -8.271 1.00 2.41 C ATOM 865 CE LYS B 54 1.363 7.407 -8.493 1.00 3.23 C ATOM 866 NZ LYS B 54 1.809 7.996 -7.200 1.00 3.73 N ATOM 0 H LYS B 54 -1.130 4.942 -3.912 1.00 0.84 H new ATOM 0 HA LYS B 54 -2.503 6.828 -5.817 1.00 0.86 H new ATOM 0 HB2 LYS B 54 -0.849 4.310 -6.295 1.00 1.18 H new ATOM 0 HB3 LYS B 54 -1.755 5.154 -7.536 1.00 1.18 H new ATOM 0 HG2 LYS B 54 -0.211 7.161 -6.197 1.00 1.73 H new ATOM 0 HG3 LYS B 54 0.873 5.806 -6.435 1.00 1.73 H new ATOM 0 HD2 LYS B 54 0.077 5.715 -8.878 1.00 2.41 H new ATOM 0 HD3 LYS B 54 -0.786 7.212 -8.587 1.00 2.41 H new ATOM 0 HE2 LYS B 54 2.137 6.753 -8.894 1.00 3.23 H new ATOM 0 HE3 LYS B 54 1.200 8.195 -9.228 1.00 3.23 H new ATOM 0 HZ1 LYS B 54 2.513 8.740 -7.382 1.00 3.73 H new ATOM 0 HZ2 LYS B 54 0.992 8.406 -6.705 1.00 3.73 H new ATOM 0 HZ3 LYS B 54 2.235 7.254 -6.609 1.00 3.73 H new ATOM 880 N LEU B 55 -4.385 5.347 -4.758 1.00 0.81 N ATOM 881 CA LEU B 55 -5.589 4.505 -4.543 1.00 0.98 C ATOM 882 C LEU B 55 -6.782 5.077 -5.306 1.00 1.03 C ATOM 883 O LEU B 55 -6.893 6.267 -5.500 1.00 1.12 O ATOM 884 CB LEU B 55 -5.879 4.503 -3.048 1.00 1.16 C ATOM 885 CG LEU B 55 -5.092 3.365 -2.353 1.00 0.88 C ATOM 886 CD1 LEU B 55 -4.903 3.649 -0.845 1.00 1.40 C ATOM 887 CD2 LEU B 55 -5.843 2.033 -2.527 1.00 0.86 C ATOM 0 H LEU B 55 -4.445 6.284 -4.359 1.00 0.81 H new ATOM 0 HA LEU B 55 -5.416 3.492 -4.906 1.00 0.98 H new ATOM 0 HB2 LEU B 55 -5.602 5.464 -2.615 1.00 1.16 H new ATOM 0 HB3 LEU B 55 -6.948 4.373 -2.877 1.00 1.16 H new ATOM 0 HG LEU B 55 -4.108 3.305 -2.818 1.00 0.88 H new ATOM 0 HD11 LEU B 55 -4.347 2.831 -0.388 1.00 1.40 H new ATOM 0 HD12 LEU B 55 -4.350 4.580 -0.716 1.00 1.40 H new ATOM 0 HD13 LEU B 55 -5.878 3.737 -0.366 1.00 1.40 H new ATOM 0 HD21 LEU B 55 -5.286 1.235 -2.037 1.00 0.86 H new ATOM 0 HD22 LEU B 55 -6.834 2.113 -2.079 1.00 0.86 H new ATOM 0 HD23 LEU B 55 -5.942 1.807 -3.589 1.00 0.86 H new ATOM 899 N ASP B 56 -7.678 4.223 -5.726 1.00 1.21 N ATOM 900 CA ASP B 56 -8.884 4.682 -6.469 1.00 1.40 C ATOM 901 C ASP B 56 -10.077 4.601 -5.529 1.00 1.12 C ATOM 902 O ASP B 56 -10.138 3.729 -4.686 1.00 0.87 O ATOM 903 CB ASP B 56 -9.129 3.761 -7.659 1.00 1.89 C ATOM 904 CG ASP B 56 -7.810 3.106 -8.078 1.00 2.51 C ATOM 905 OD1 ASP B 56 -6.804 3.796 -8.083 1.00 3.03 O ATOM 906 OD2 ASP B 56 -7.829 1.926 -8.385 1.00 3.02 O ATOM 0 H ASP B 56 -7.623 3.215 -5.583 1.00 1.21 H new ATOM 0 HA ASP B 56 -8.741 5.702 -6.825 1.00 1.40 H new ATOM 0 HB2 ASP B 56 -9.860 2.996 -7.396 1.00 1.89 H new ATOM 0 HB3 ASP B 56 -9.546 4.328 -8.491 1.00 1.89 H new ATOM 911 N ASP B 57 -11.040 5.463 -5.677 1.00 1.24 N ATOM 912 CA ASP B 57 -12.226 5.382 -4.785 1.00 1.10 C ATOM 913 C ASP B 57 -12.733 3.940 -4.818 1.00 0.93 C ATOM 914 O ASP B 57 -12.699 3.256 -3.815 1.00 0.78 O ATOM 915 CB ASP B 57 -13.306 6.367 -5.237 1.00 1.30 C ATOM 916 CG ASP B 57 -13.296 7.582 -4.309 1.00 1.44 C ATOM 917 OD1 ASP B 57 -13.850 7.481 -3.227 1.00 1.90 O ATOM 918 OD2 ASP B 57 -12.734 8.594 -4.696 1.00 1.83 O ATOM 0 H ASP B 57 -11.059 6.212 -6.369 1.00 1.24 H new ATOM 0 HA ASP B 57 -11.959 5.655 -3.764 1.00 1.10 H new ATOM 0 HB2 ASP B 57 -13.124 6.678 -6.266 1.00 1.30 H new ATOM 0 HB3 ASP B 57 -14.284 5.887 -5.217 1.00 1.30 H new ATOM 923 N PRO B 58 -13.137 3.441 -5.964 1.00 1.05 N ATOM 924 CA PRO B 58 -13.565 2.029 -6.081 1.00 1.05 C ATOM 925 C PRO B 58 -12.622 1.106 -5.305 1.00 0.86 C ATOM 926 O PRO B 58 -13.029 0.315 -4.477 1.00 0.79 O ATOM 927 CB PRO B 58 -13.414 1.737 -7.573 1.00 1.30 C ATOM 928 CG PRO B 58 -13.533 3.046 -8.278 1.00 1.42 C ATOM 929 CD PRO B 58 -13.255 4.150 -7.257 1.00 1.30 C ATOM 0 HA PRO B 58 -14.570 1.869 -5.690 1.00 1.05 H new ATOM 0 HB2 PRO B 58 -12.451 1.271 -7.781 1.00 1.30 H new ATOM 0 HB3 PRO B 58 -14.183 1.043 -7.912 1.00 1.30 H new ATOM 0 HG2 PRO B 58 -12.824 3.101 -9.104 1.00 1.42 H new ATOM 0 HG3 PRO B 58 -14.529 3.162 -8.705 1.00 1.42 H new ATOM 0 HD2 PRO B 58 -12.340 4.691 -7.497 1.00 1.30 H new ATOM 0 HD3 PRO B 58 -14.062 4.882 -7.235 1.00 1.30 H new ATOM 937 N THR B 59 -11.351 1.231 -5.574 1.00 0.86 N ATOM 938 CA THR B 59 -10.332 0.391 -4.893 1.00 0.76 C ATOM 939 C THR B 59 -10.322 0.707 -3.399 1.00 0.57 C ATOM 940 O THR B 59 -10.251 -0.173 -2.564 1.00 0.48 O ATOM 941 CB THR B 59 -8.968 0.719 -5.528 1.00 1.00 C ATOM 942 OG1 THR B 59 -8.921 0.170 -6.837 1.00 1.91 O ATOM 943 CG2 THR B 59 -7.815 0.149 -4.702 1.00 1.06 C ATOM 0 H THR B 59 -10.972 1.893 -6.250 1.00 0.86 H new ATOM 0 HA THR B 59 -10.554 -0.670 -5.009 1.00 0.76 H new ATOM 0 HB THR B 59 -8.858 1.803 -5.563 1.00 1.00 H new ATOM 0 HG1 THR B 59 -8.821 0.893 -7.491 1.00 1.91 H new ATOM 0 HG21 THR B 59 -6.867 0.399 -5.179 1.00 1.06 H new ATOM 0 HG22 THR B 59 -7.840 0.575 -3.699 1.00 1.06 H new ATOM 0 HG23 THR B 59 -7.914 -0.935 -4.638 1.00 1.06 H new ATOM 951 N ARG B 60 -10.384 1.957 -3.062 1.00 0.61 N ATOM 952 CA ARG B 60 -10.370 2.352 -1.631 1.00 0.60 C ATOM 953 C ARG B 60 -11.500 1.646 -0.889 1.00 0.51 C ATOM 954 O ARG B 60 -11.364 1.226 0.237 1.00 0.53 O ATOM 955 CB ARG B 60 -10.566 3.853 -1.557 1.00 0.80 C ATOM 956 CG ARG B 60 -10.503 4.305 -0.100 1.00 0.98 C ATOM 957 CD ARG B 60 -10.562 5.830 -0.032 1.00 1.48 C ATOM 958 NE ARG B 60 -10.568 6.263 1.395 1.00 1.71 N ATOM 959 CZ ARG B 60 -9.495 6.132 2.128 1.00 1.87 C ATOM 960 NH1 ARG B 60 -8.408 5.625 1.615 1.00 2.31 N ATOM 961 NH2 ARG B 60 -9.511 6.508 3.376 1.00 2.27 N ATOM 0 H ARG B 60 -10.444 2.732 -3.722 1.00 0.61 H new ATOM 0 HA ARG B 60 -9.423 2.071 -1.170 1.00 0.60 H new ATOM 0 HB2 ARG B 60 -9.797 4.360 -2.139 1.00 0.80 H new ATOM 0 HB3 ARG B 60 -11.527 4.127 -1.992 1.00 0.80 H new ATOM 0 HG2 ARG B 60 -11.332 3.874 0.461 1.00 0.98 H new ATOM 0 HG3 ARG B 60 -9.584 3.946 0.363 1.00 0.98 H new ATOM 0 HD2 ARG B 60 -9.706 6.261 -0.551 1.00 1.48 H new ATOM 0 HD3 ARG B 60 -11.457 6.193 -0.537 1.00 1.48 H new ATOM 0 HE ARG B 60 -11.414 6.663 1.800 1.00 1.71 H new ATOM 0 HH11 ARG B 60 -8.394 5.330 0.639 1.00 2.31 H new ATOM 0 HH12 ARG B 60 -7.572 5.524 2.190 1.00 2.31 H new ATOM 0 HH21 ARG B 60 -10.361 6.904 3.779 1.00 2.27 H new ATOM 0 HH22 ARG B 60 -8.674 6.406 3.950 1.00 2.27 H new ATOM 975 N GLU B 61 -12.615 1.505 -1.513 1.00 0.53 N ATOM 976 CA GLU B 61 -13.748 0.802 -0.830 1.00 0.60 C ATOM 977 C GLU B 61 -13.351 -0.643 -0.613 1.00 0.57 C ATOM 978 O GLU B 61 -13.660 -1.250 0.391 1.00 0.65 O ATOM 979 CB GLU B 61 -14.983 0.828 -1.721 1.00 0.73 C ATOM 980 CG GLU B 61 -15.375 2.268 -2.001 1.00 1.21 C ATOM 981 CD GLU B 61 -15.990 2.892 -0.747 1.00 1.89 C ATOM 982 OE1 GLU B 61 -16.240 2.158 0.196 1.00 2.44 O ATOM 983 OE2 GLU B 61 -16.201 4.094 -0.751 1.00 2.45 O ATOM 0 H GLU B 61 -12.807 1.837 -2.458 1.00 0.53 H new ATOM 0 HA GLU B 61 -13.967 1.296 0.117 1.00 0.60 H new ATOM 0 HB2 GLU B 61 -14.781 0.307 -2.657 1.00 0.73 H new ATOM 0 HB3 GLU B 61 -15.806 0.304 -1.235 1.00 0.73 H new ATOM 0 HG2 GLU B 61 -14.500 2.839 -2.310 1.00 1.21 H new ATOM 0 HG3 GLU B 61 -16.088 2.307 -2.824 1.00 1.21 H new ATOM 990 N ARG B 62 -12.675 -1.204 -1.563 1.00 0.54 N ATOM 991 CA ARG B 62 -12.263 -2.611 -1.431 1.00 0.60 C ATOM 992 C ARG B 62 -11.284 -2.717 -0.257 1.00 0.53 C ATOM 993 O ARG B 62 -11.249 -3.704 0.448 1.00 0.62 O ATOM 994 CB ARG B 62 -11.608 -3.068 -2.751 1.00 0.70 C ATOM 995 CG ARG B 62 -11.673 -4.600 -2.936 1.00 0.99 C ATOM 996 CD ARG B 62 -10.434 -5.254 -2.330 1.00 1.64 C ATOM 997 NE ARG B 62 -10.519 -6.730 -2.518 1.00 2.26 N ATOM 998 CZ ARG B 62 -9.922 -7.543 -1.687 1.00 3.00 C ATOM 999 NH1 ARG B 62 -9.263 -7.080 -0.658 1.00 3.35 N ATOM 1000 NH2 ARG B 62 -9.993 -8.831 -1.882 1.00 3.87 N ATOM 0 H ARG B 62 -12.390 -0.745 -2.428 1.00 0.54 H new ATOM 0 HA ARG B 62 -13.119 -3.256 -1.235 1.00 0.60 H new ATOM 0 HB2 ARG B 62 -12.106 -2.581 -3.589 1.00 0.70 H new ATOM 0 HB3 ARG B 62 -10.567 -2.746 -2.768 1.00 0.70 H new ATOM 0 HG2 ARG B 62 -12.571 -4.994 -2.460 1.00 0.99 H new ATOM 0 HG3 ARG B 62 -11.741 -4.844 -3.996 1.00 0.99 H new ATOM 0 HD2 ARG B 62 -9.533 -4.866 -2.806 1.00 1.64 H new ATOM 0 HD3 ARG B 62 -10.363 -5.014 -1.269 1.00 1.64 H new ATOM 0 HE ARG B 62 -11.048 -7.109 -3.303 1.00 2.26 H new ATOM 0 HH11 ARG B 62 -9.211 -6.074 -0.497 1.00 3.35 H new ATOM 0 HH12 ARG B 62 -8.801 -7.724 -0.016 1.00 3.35 H new ATOM 0 HH21 ARG B 62 -10.512 -9.198 -2.679 1.00 3.87 H new ATOM 0 HH22 ARG B 62 -9.529 -9.471 -1.237 1.00 3.87 H new ATOM 1014 N LEU B 63 -10.503 -1.689 -0.019 1.00 0.43 N ATOM 1015 CA LEU B 63 -9.550 -1.740 1.133 1.00 0.43 C ATOM 1016 C LEU B 63 -10.360 -1.906 2.412 1.00 0.49 C ATOM 1017 O LEU B 63 -9.955 -2.575 3.340 1.00 0.54 O ATOM 1018 CB LEU B 63 -8.746 -0.439 1.236 1.00 0.47 C ATOM 1019 CG LEU B 63 -7.420 -0.529 0.478 1.00 0.46 C ATOM 1020 CD1 LEU B 63 -7.667 -0.671 -1.026 1.00 0.46 C ATOM 1021 CD2 LEU B 63 -6.640 0.759 0.750 1.00 0.57 C ATOM 0 H LEU B 63 -10.484 -0.828 -0.566 1.00 0.43 H new ATOM 0 HA LEU B 63 -8.859 -2.570 0.986 1.00 0.43 H new ATOM 0 HB2 LEU B 63 -9.337 0.386 0.838 1.00 0.47 H new ATOM 0 HB3 LEU B 63 -8.551 -0.214 2.285 1.00 0.47 H new ATOM 0 HG LEU B 63 -6.860 -1.402 0.812 1.00 0.46 H new ATOM 0 HD11 LEU B 63 -6.712 -0.733 -1.547 1.00 0.46 H new ATOM 0 HD12 LEU B 63 -8.244 -1.576 -1.216 1.00 0.46 H new ATOM 0 HD13 LEU B 63 -8.221 0.195 -1.387 1.00 0.46 H new ATOM 0 HD21 LEU B 63 -5.687 0.726 0.222 1.00 0.57 H new ATOM 0 HD22 LEU B 63 -7.218 1.615 0.402 1.00 0.57 H new ATOM 0 HD23 LEU B 63 -6.459 0.855 1.820 1.00 0.57 H new ATOM 1033 N LYS B 64 -11.511 -1.296 2.463 1.00 0.57 N ATOM 1034 CA LYS B 64 -12.355 -1.415 3.676 1.00 0.69 C ATOM 1035 C LYS B 64 -12.536 -2.891 3.980 1.00 0.72 C ATOM 1036 O LYS B 64 -12.493 -3.314 5.118 1.00 0.79 O ATOM 1037 CB LYS B 64 -13.713 -0.751 3.406 1.00 0.84 C ATOM 1038 CG LYS B 64 -14.085 0.207 4.545 1.00 1.26 C ATOM 1039 CD LYS B 64 -14.355 -0.585 5.822 1.00 1.41 C ATOM 1040 CE LYS B 64 -15.063 0.313 6.838 1.00 2.07 C ATOM 1041 NZ LYS B 64 -14.429 1.662 6.836 1.00 2.71 N ATOM 0 H LYS B 64 -11.901 -0.721 1.716 1.00 0.57 H new ATOM 0 HA LYS B 64 -11.889 -0.921 4.528 1.00 0.69 H new ATOM 0 HB2 LYS B 64 -13.675 -0.205 2.463 1.00 0.84 H new ATOM 0 HB3 LYS B 64 -14.483 -1.516 3.301 1.00 0.84 H new ATOM 0 HG2 LYS B 64 -13.277 0.919 4.712 1.00 1.26 H new ATOM 0 HG3 LYS B 64 -14.968 0.785 4.272 1.00 1.26 H new ATOM 0 HD2 LYS B 64 -14.971 -1.456 5.599 1.00 1.41 H new ATOM 0 HD3 LYS B 64 -13.418 -0.955 6.238 1.00 1.41 H new ATOM 0 HE2 LYS B 64 -16.121 0.396 6.590 1.00 2.07 H new ATOM 0 HE3 LYS B 64 -15.002 -0.128 7.833 1.00 2.07 H new ATOM 0 HZ1 LYS B 64 -14.766 2.205 7.656 1.00 2.71 H new ATOM 0 HZ2 LYS B 64 -13.395 1.560 6.890 1.00 2.71 H new ATOM 0 HZ3 LYS B 64 -14.682 2.163 5.961 1.00 2.71 H new ATOM 1055 N ALA B 65 -12.691 -3.686 2.967 1.00 0.74 N ATOM 1056 CA ALA B 65 -12.832 -5.148 3.206 1.00 0.88 C ATOM 1057 C ALA B 65 -11.546 -5.627 3.877 1.00 0.83 C ATOM 1058 O ALA B 65 -11.557 -6.420 4.793 1.00 0.92 O ATOM 1059 CB ALA B 65 -13.025 -5.883 1.877 1.00 1.00 C ATOM 0 H ALA B 65 -12.727 -3.394 1.990 1.00 0.74 H new ATOM 0 HA ALA B 65 -13.698 -5.350 3.836 1.00 0.88 H new ATOM 0 HB1 ALA B 65 -13.127 -6.952 2.064 1.00 1.00 H new ATOM 0 HB2 ALA B 65 -13.924 -5.513 1.384 1.00 1.00 H new ATOM 0 HB3 ALA B 65 -12.161 -5.708 1.235 1.00 1.00 H new ATOM 1065 N ALA B 66 -10.428 -5.124 3.448 1.00 0.75 N ATOM 1066 CA ALA B 66 -9.159 -5.532 4.094 1.00 0.79 C ATOM 1067 C ALA B 66 -9.201 -5.061 5.551 1.00 0.77 C ATOM 1068 O ALA B 66 -8.819 -5.777 6.455 1.00 0.88 O ATOM 1069 CB ALA B 66 -7.981 -4.902 3.343 1.00 0.78 C ATOM 0 H ALA B 66 -10.339 -4.454 2.684 1.00 0.75 H new ATOM 0 HA ALA B 66 -9.033 -6.614 4.067 1.00 0.79 H new ATOM 0 HB1 ALA B 66 -7.046 -5.201 3.817 1.00 0.78 H new ATOM 0 HB2 ALA B 66 -7.987 -5.240 2.307 1.00 0.78 H new ATOM 0 HB3 ALA B 66 -8.071 -3.816 3.371 1.00 0.78 H new ATOM 1075 N ALA B 67 -9.699 -3.872 5.792 1.00 0.69 N ATOM 1076 CA ALA B 67 -9.802 -3.381 7.195 1.00 0.75 C ATOM 1077 C ALA B 67 -10.789 -4.254 7.954 1.00 0.81 C ATOM 1078 O ALA B 67 -10.638 -4.513 9.128 1.00 0.89 O ATOM 1079 CB ALA B 67 -10.285 -1.929 7.203 1.00 0.76 C ATOM 0 H ALA B 67 -10.036 -3.226 5.079 1.00 0.69 H new ATOM 0 HA ALA B 67 -8.824 -3.430 7.673 1.00 0.75 H new ATOM 0 HB1 ALA B 67 -10.358 -1.576 8.232 1.00 0.76 H new ATOM 0 HB2 ALA B 67 -9.577 -1.307 6.655 1.00 0.76 H new ATOM 0 HB3 ALA B 67 -11.264 -1.869 6.728 1.00 0.76 H new ATOM 1085 N GLN B 68 -11.796 -4.713 7.280 1.00 0.83 N ATOM 1086 CA GLN B 68 -12.809 -5.578 7.937 1.00 0.95 C ATOM 1087 C GLN B 68 -12.151 -6.879 8.395 1.00 1.04 C ATOM 1088 O GLN B 68 -12.551 -7.477 9.374 1.00 1.16 O ATOM 1089 CB GLN B 68 -13.929 -5.864 6.938 1.00 1.04 C ATOM 1090 CG GLN B 68 -14.797 -4.619 6.774 1.00 1.73 C ATOM 1091 CD GLN B 68 -15.741 -4.506 7.972 1.00 2.45 C ATOM 1092 OE1 GLN B 68 -15.332 -3.907 9.056 1.00 2.58 O flip ATOM 1093 NE2 GLN B 68 -16.859 -4.979 7.925 1.00 3.25 N flip ATOM 0 H GLN B 68 -11.965 -4.526 6.292 1.00 0.83 H new ATOM 0 HA GLN B 68 -13.225 -5.077 8.811 1.00 0.95 H new ATOM 0 HB2 GLN B 68 -13.507 -6.155 5.976 1.00 1.04 H new ATOM 0 HB3 GLN B 68 -14.536 -6.700 7.286 1.00 1.04 H new ATOM 0 HG2 GLN B 68 -14.170 -3.730 6.704 1.00 1.73 H new ATOM 0 HG3 GLN B 68 -15.370 -4.679 5.848 1.00 1.73 H new ATOM 0 HE21 GLN B 68 -17.179 -5.448 7.077 1.00 3.25 H new ATOM 0 HE22 GLN B 68 -17.477 -4.908 8.733 1.00 3.25 H new ATOM 1102 N SER B 69 -11.142 -7.323 7.696 1.00 1.04 N ATOM 1103 CA SER B 69 -10.462 -8.585 8.098 1.00 1.20 C ATOM 1104 C SER B 69 -9.927 -8.448 9.523 1.00 1.24 C ATOM 1105 O SER B 69 -9.979 -9.385 10.296 1.00 1.38 O ATOM 1106 CB SER B 69 -9.297 -8.867 7.149 1.00 1.26 C ATOM 1107 OG SER B 69 -8.784 -10.167 7.412 1.00 1.76 O ATOM 0 H SER B 69 -10.761 -6.868 6.867 1.00 1.04 H new ATOM 0 HA SER B 69 -11.177 -9.406 8.053 1.00 1.20 H new ATOM 0 HB2 SER B 69 -9.631 -8.797 6.114 1.00 1.26 H new ATOM 0 HB3 SER B 69 -8.514 -8.120 7.283 1.00 1.26 H new ATOM 0 HG SER B 69 -8.038 -10.353 6.805 1.00 1.76 H new ATOM 1113 N ILE B 70 -9.422 -7.287 9.874 1.00 1.14 N ATOM 1114 CA ILE B 70 -8.885 -7.076 11.253 1.00 1.23 C ATOM 1115 C ILE B 70 -9.818 -6.134 12.003 1.00 1.11 C ATOM 1116 O ILE B 70 -9.714 -5.944 13.197 1.00 1.29 O ATOM 1117 CB ILE B 70 -7.479 -6.486 11.159 1.00 1.37 C ATOM 1118 CG1 ILE B 70 -6.904 -6.319 12.572 1.00 1.60 C ATOM 1119 CG2 ILE B 70 -7.524 -5.142 10.424 1.00 1.27 C ATOM 1120 CD1 ILE B 70 -5.409 -6.019 12.482 1.00 1.84 C ATOM 0 H ILE B 70 -9.360 -6.475 9.260 1.00 1.14 H new ATOM 0 HA ILE B 70 -8.829 -8.022 11.792 1.00 1.23 H new ATOM 0 HB ILE B 70 -6.834 -7.159 10.595 1.00 1.37 H new ATOM 0 HG12 ILE B 70 -7.417 -5.510 13.092 1.00 1.60 H new ATOM 0 HG13 ILE B 70 -7.069 -7.226 13.153 1.00 1.60 H new ATOM 0 HG21 ILE B 70 -6.518 -4.728 10.361 1.00 1.27 H new ATOM 0 HG22 ILE B 70 -7.919 -5.290 9.419 1.00 1.27 H new ATOM 0 HG23 ILE B 70 -8.167 -4.451 10.969 1.00 1.27 H new ATOM 0 HD11 ILE B 70 -5.001 -5.900 13.486 1.00 1.84 H new ATOM 0 HD12 ILE B 70 -4.902 -6.843 11.979 1.00 1.84 H new ATOM 0 HD13 ILE B 70 -5.256 -5.100 11.917 1.00 1.84 H new ATOM 1132 N ASP B 71 -10.743 -5.563 11.293 1.00 1.03 N ATOM 1133 CA ASP B 71 -11.727 -4.640 11.916 1.00 1.03 C ATOM 1134 C ASP B 71 -11.053 -3.326 12.317 1.00 1.24 C ATOM 1135 O ASP B 71 -11.204 -2.877 13.436 1.00 1.99 O ATOM 1136 CB ASP B 71 -12.340 -5.304 13.154 1.00 1.35 C ATOM 1137 CG ASP B 71 -13.753 -4.760 13.373 1.00 1.94 C ATOM 1138 OD1 ASP B 71 -13.877 -3.729 14.013 1.00 2.63 O ATOM 1139 OD2 ASP B 71 -14.686 -5.383 12.895 1.00 2.48 O ATOM 0 H ASP B 71 -10.862 -5.698 10.289 1.00 1.03 H new ATOM 0 HA ASP B 71 -12.511 -4.422 11.191 1.00 1.03 H new ATOM 0 HB2 ASP B 71 -12.371 -6.386 13.023 1.00 1.35 H new ATOM 0 HB3 ASP B 71 -11.722 -5.107 14.030 1.00 1.35 H new ATOM 1144 N ARG B 72 -10.320 -2.707 11.411 1.00 1.04 N ATOM 1145 CA ARG B 72 -9.639 -1.414 11.741 1.00 1.49 C ATOM 1146 C ARG B 72 -10.086 -0.286 10.816 1.00 0.94 C ATOM 1147 O ARG B 72 -10.983 -0.417 10.006 1.00 1.29 O ATOM 1148 CB ARG B 72 -8.122 -1.571 11.669 1.00 2.55 C ATOM 1149 CG ARG B 72 -7.626 -2.276 12.945 1.00 3.33 C ATOM 1150 CD ARG B 72 -6.103 -2.372 12.936 1.00 4.16 C ATOM 1151 NE ARG B 72 -5.564 -1.894 14.244 1.00 4.68 N ATOM 1152 CZ ARG B 72 -5.660 -0.631 14.574 1.00 5.32 C ATOM 1153 NH1 ARG B 72 -6.223 0.218 13.761 1.00 5.56 N ATOM 1154 NH2 ARG B 72 -5.184 -0.216 15.714 1.00 6.03 N ATOM 0 H ARG B 72 -10.167 -3.044 10.461 1.00 1.04 H new ATOM 0 HA ARG B 72 -9.926 -1.150 12.759 1.00 1.49 H new ATOM 0 HB2 ARG B 72 -7.846 -2.150 10.788 1.00 2.55 H new ATOM 0 HB3 ARG B 72 -7.647 -0.595 11.570 1.00 2.55 H new ATOM 0 HG2 ARG B 72 -7.958 -1.726 13.826 1.00 3.33 H new ATOM 0 HG3 ARG B 72 -8.060 -3.274 13.010 1.00 3.33 H new ATOM 0 HD2 ARG B 72 -5.794 -3.402 12.759 1.00 4.16 H new ATOM 0 HD3 ARG B 72 -5.695 -1.772 12.122 1.00 4.16 H new ATOM 0 HE ARG B 72 -5.120 -2.554 14.882 1.00 4.68 H new ATOM 0 HH11 ARG B 72 -6.590 -0.101 12.865 1.00 5.56 H new ATOM 0 HH12 ARG B 72 -6.296 1.202 14.021 1.00 5.56 H new ATOM 0 HH21 ARG B 72 -4.736 -0.876 16.350 1.00 6.03 H new ATOM 0 HH22 ARG B 72 -5.259 0.768 15.970 1.00 6.03 H new ATOM 1168 N THR B 73 -9.490 0.847 11.023 1.00 1.12 N ATOM 1169 CA THR B 73 -9.844 2.086 10.289 1.00 1.12 C ATOM 1170 C THR B 73 -9.260 2.114 8.837 1.00 0.95 C ATOM 1171 O THR B 73 -8.143 1.705 8.616 1.00 1.01 O ATOM 1172 CB THR B 73 -9.259 3.213 11.160 1.00 1.80 C ATOM 1173 OG1 THR B 73 -10.247 3.635 12.090 1.00 2.77 O ATOM 1174 CG2 THR B 73 -8.812 4.411 10.324 1.00 2.48 C ATOM 0 H THR B 73 -8.738 0.970 11.702 1.00 1.12 H new ATOM 0 HA THR B 73 -10.920 2.179 10.145 1.00 1.12 H new ATOM 0 HB THR B 73 -8.381 2.821 11.674 1.00 1.80 H new ATOM 0 HG1 THR B 73 -9.883 4.352 12.651 1.00 2.77 H new ATOM 0 HG21 THR B 73 -8.406 5.181 10.980 1.00 2.48 H new ATOM 0 HG22 THR B 73 -8.045 4.095 9.617 1.00 2.48 H new ATOM 0 HG23 THR B 73 -9.666 4.812 9.778 1.00 2.48 H new ATOM 1182 N PRO B 74 -10.004 2.599 7.839 1.00 0.93 N ATOM 1183 CA PRO B 74 -9.496 2.678 6.424 1.00 0.99 C ATOM 1184 C PRO B 74 -8.075 3.276 6.290 1.00 1.00 C ATOM 1185 O PRO B 74 -7.170 2.617 5.849 1.00 1.17 O ATOM 1186 CB PRO B 74 -10.495 3.593 5.719 1.00 1.30 C ATOM 1187 CG PRO B 74 -11.765 3.491 6.494 1.00 1.24 C ATOM 1188 CD PRO B 74 -11.403 3.085 7.924 1.00 1.09 C ATOM 0 HA PRO B 74 -9.417 1.676 6.003 1.00 0.99 H new ATOM 0 HB2 PRO B 74 -10.134 4.621 5.696 1.00 1.30 H new ATOM 0 HB3 PRO B 74 -10.644 3.284 4.684 1.00 1.30 H new ATOM 0 HG2 PRO B 74 -12.294 4.444 6.489 1.00 1.24 H new ATOM 0 HG3 PRO B 74 -12.430 2.754 6.044 1.00 1.24 H new ATOM 0 HD2 PRO B 74 -11.487 3.929 8.608 1.00 1.09 H new ATOM 0 HD3 PRO B 74 -12.070 2.307 8.295 1.00 1.09 H new ATOM 1196 N HIS B 75 -7.863 4.518 6.642 1.00 1.12 N ATOM 1197 CA HIS B 75 -6.480 5.095 6.498 1.00 1.25 C ATOM 1198 C HIS B 75 -5.496 4.135 7.141 1.00 1.10 C ATOM 1199 O HIS B 75 -4.522 3.698 6.560 1.00 1.06 O ATOM 1200 CB HIS B 75 -6.412 6.413 7.258 1.00 1.55 C ATOM 1201 CG HIS B 75 -5.370 7.310 6.655 1.00 2.03 C ATOM 1202 ND1 HIS B 75 -4.167 7.046 6.049 1.00 2.68 N flip ATOM 1203 CD2 HIS B 75 -5.506 8.691 6.646 1.00 2.45 C flip ATOM 1204 CE1 HIS B 75 -3.567 8.243 5.673 1.00 3.37 C flip ATOM 1205 NE2 HIS B 75 -4.412 9.202 6.054 1.00 3.30 N flip ATOM 0 H HIS B 75 -8.569 5.152 7.017 1.00 1.12 H new ATOM 0 HA HIS B 75 -6.247 5.251 5.445 1.00 1.25 H new ATOM 0 HB2 HIS B 75 -7.384 6.906 7.233 1.00 1.55 H new ATOM 0 HB3 HIS B 75 -6.177 6.225 8.306 1.00 1.55 H new ATOM 0 HD2 HIS B 75 -6.339 9.253 7.042 1.00 2.45 H new ATOM 0 HE1 HIS B 75 -2.616 8.369 5.177 1.00 3.37 H new ATOM 0 HE2 HIS B 75 -4.249 10.199 5.914 1.00 3.30 H new ATOM 1214 N TRP B 76 -5.796 3.811 8.343 1.00 1.10 N ATOM 1215 CA TRP B 76 -4.987 2.877 9.140 1.00 1.13 C ATOM 1216 C TRP B 76 -4.874 1.539 8.391 1.00 0.86 C ATOM 1217 O TRP B 76 -3.865 0.868 8.427 1.00 0.88 O ATOM 1218 CB TRP B 76 -5.715 2.724 10.465 1.00 1.40 C ATOM 1219 CG TRP B 76 -4.954 1.894 11.409 1.00 1.18 C ATOM 1220 CD1 TRP B 76 -4.901 0.563 11.349 1.00 1.41 C ATOM 1221 CD2 TRP B 76 -4.177 2.298 12.568 1.00 2.11 C ATOM 1222 NE1 TRP B 76 -4.162 0.104 12.407 1.00 2.15 N ATOM 1223 CE2 TRP B 76 -3.675 1.135 13.186 1.00 2.58 C ATOM 1224 CE3 TRP B 76 -3.863 3.544 13.137 1.00 3.04 C ATOM 1225 CZ2 TRP B 76 -2.886 1.198 14.335 1.00 3.69 C ATOM 1226 CZ3 TRP B 76 -3.068 3.615 14.292 1.00 4.10 C ATOM 1227 CH2 TRP B 76 -2.580 2.444 14.890 1.00 4.36 C ATOM 0 H TRP B 76 -6.613 4.174 8.835 1.00 1.10 H new ATOM 0 HA TRP B 76 -3.971 3.234 9.307 1.00 1.13 H new ATOM 0 HB2 TRP B 76 -5.887 3.708 10.902 1.00 1.40 H new ATOM 0 HB3 TRP B 76 -6.694 2.276 10.293 1.00 1.40 H new ATOM 0 HD1 TRP B 76 -5.364 -0.052 10.591 1.00 1.41 H new ATOM 0 HE1 TRP B 76 -3.991 -0.883 12.597 1.00 2.15 H new ATOM 0 HE3 TRP B 76 -4.235 4.451 12.684 1.00 3.04 H new ATOM 0 HZ2 TRP B 76 -2.515 0.292 14.792 1.00 3.69 H new ATOM 0 HZ3 TRP B 76 -2.831 4.577 14.722 1.00 4.10 H new ATOM 0 HH2 TRP B 76 -1.969 2.505 15.778 1.00 4.36 H new ATOM 1238 N LEU B 77 -5.891 1.146 7.686 1.00 0.71 N ATOM 1239 CA LEU B 77 -5.780 -0.124 6.916 1.00 0.56 C ATOM 1240 C LEU B 77 -4.686 0.063 5.868 1.00 0.52 C ATOM 1241 O LEU B 77 -3.879 -0.810 5.622 1.00 0.57 O ATOM 1242 CB LEU B 77 -7.137 -0.477 6.253 1.00 0.57 C ATOM 1243 CG LEU B 77 -7.019 -1.639 5.238 1.00 0.96 C ATOM 1244 CD1 LEU B 77 -6.321 -1.217 3.939 1.00 1.51 C ATOM 1245 CD2 LEU B 77 -6.300 -2.827 5.867 1.00 1.89 C ATOM 0 H LEU B 77 -6.782 1.637 7.607 1.00 0.71 H new ATOM 0 HA LEU B 77 -5.522 -0.952 7.577 1.00 0.56 H new ATOM 0 HB2 LEU B 77 -7.856 -0.747 7.027 1.00 0.57 H new ATOM 0 HB3 LEU B 77 -7.530 0.405 5.746 1.00 0.57 H new ATOM 0 HG LEU B 77 -8.034 -1.934 4.973 1.00 0.96 H new ATOM 0 HD11 LEU B 77 -6.265 -2.070 3.263 1.00 1.51 H new ATOM 0 HD12 LEU B 77 -6.887 -0.415 3.466 1.00 1.51 H new ATOM 0 HD13 LEU B 77 -5.314 -0.866 4.165 1.00 1.51 H new ATOM 0 HD21 LEU B 77 -6.226 -3.635 5.139 1.00 1.89 H new ATOM 0 HD22 LEU B 77 -5.299 -2.525 6.176 1.00 1.89 H new ATOM 0 HD23 LEU B 77 -6.860 -3.172 6.736 1.00 1.89 H new ATOM 1257 N ILE B 78 -4.659 1.196 5.230 1.00 0.54 N ATOM 1258 CA ILE B 78 -3.635 1.401 4.173 1.00 0.58 C ATOM 1259 C ILE B 78 -2.261 1.036 4.720 1.00 0.64 C ATOM 1260 O ILE B 78 -1.462 0.424 4.041 1.00 0.65 O ATOM 1261 CB ILE B 78 -3.566 2.860 3.712 1.00 0.69 C ATOM 1262 CG1 ILE B 78 -4.967 3.396 3.424 1.00 0.84 C ATOM 1263 CG2 ILE B 78 -2.736 2.950 2.428 1.00 1.04 C ATOM 1264 CD1 ILE B 78 -4.875 4.864 2.998 1.00 1.19 C ATOM 0 H ILE B 78 -5.292 1.979 5.391 1.00 0.54 H new ATOM 0 HA ILE B 78 -3.918 0.771 3.330 1.00 0.58 H new ATOM 0 HB ILE B 78 -3.107 3.452 4.504 1.00 0.69 H new ATOM 0 HG12 ILE B 78 -5.439 2.807 2.637 1.00 0.84 H new ATOM 0 HG13 ILE B 78 -5.593 3.302 4.311 1.00 0.84 H new ATOM 0 HG21 ILE B 78 -2.686 3.988 2.099 1.00 1.04 H new ATOM 0 HG22 ILE B 78 -1.728 2.581 2.620 1.00 1.04 H new ATOM 0 HG23 ILE B 78 -3.202 2.345 1.650 1.00 1.04 H new ATOM 0 HD11 ILE B 78 -5.875 5.247 2.792 1.00 1.19 H new ATOM 0 HD12 ILE B 78 -4.421 5.447 3.799 1.00 1.19 H new ATOM 0 HD13 ILE B 78 -4.264 4.944 2.099 1.00 1.19 H new ATOM 1276 N LYS B 79 -1.955 1.425 5.931 1.00 0.74 N ATOM 1277 CA LYS B 79 -0.589 1.086 6.441 1.00 0.86 C ATOM 1278 C LYS B 79 -0.437 -0.440 6.479 1.00 0.80 C ATOM 1279 O LYS B 79 0.584 -0.972 6.104 1.00 0.87 O ATOM 1280 CB LYS B 79 -0.246 1.663 7.841 1.00 1.05 C ATOM 1281 CG LYS B 79 -1.290 2.651 8.404 1.00 1.63 C ATOM 1282 CD LYS B 79 -1.276 2.578 9.930 1.00 2.07 C ATOM 1283 CE LYS B 79 0.152 2.778 10.441 1.00 3.03 C ATOM 1284 NZ LYS B 79 0.113 3.424 11.781 1.00 3.55 N ATOM 0 H LYS B 79 -2.562 1.942 6.568 1.00 0.74 H new ATOM 0 HA LYS B 79 0.111 1.555 5.749 1.00 0.86 H new ATOM 0 HB2 LYS B 79 -0.133 0.836 8.542 1.00 1.05 H new ATOM 0 HB3 LYS B 79 0.719 2.167 7.785 1.00 1.05 H new ATOM 0 HG2 LYS B 79 -1.064 3.665 8.074 1.00 1.63 H new ATOM 0 HG3 LYS B 79 -2.282 2.406 8.025 1.00 1.63 H new ATOM 0 HD2 LYS B 79 -1.932 3.342 10.347 1.00 2.07 H new ATOM 0 HD3 LYS B 79 -1.660 1.613 10.261 1.00 2.07 H new ATOM 0 HE2 LYS B 79 0.665 1.818 10.503 1.00 3.03 H new ATOM 0 HE3 LYS B 79 0.716 3.397 9.743 1.00 3.03 H new ATOM 0 HZ1 LYS B 79 1.084 3.560 12.129 1.00 3.55 H new ATOM 0 HZ2 LYS B 79 -0.361 4.347 11.708 1.00 3.55 H new ATOM 0 HZ3 LYS B 79 -0.410 2.817 12.444 1.00 3.55 H new ATOM 1298 N GLN B 80 -1.432 -1.168 6.911 1.00 0.72 N ATOM 1299 CA GLN B 80 -1.272 -2.652 6.919 1.00 0.75 C ATOM 1300 C GLN B 80 -1.155 -3.119 5.478 1.00 0.66 C ATOM 1301 O GLN B 80 -0.249 -3.839 5.113 1.00 0.74 O ATOM 1302 CB GLN B 80 -2.490 -3.331 7.529 1.00 0.79 C ATOM 1303 CG GLN B 80 -2.994 -2.528 8.714 1.00 1.54 C ATOM 1304 CD GLN B 80 -4.077 -3.334 9.430 1.00 2.16 C ATOM 1305 OE1 GLN B 80 -4.668 -2.869 10.376 1.00 2.64 O ATOM 1306 NE2 GLN B 80 -4.357 -4.542 9.017 1.00 2.80 N ATOM 0 H GLN B 80 -2.326 -0.813 7.250 1.00 0.72 H new ATOM 0 HA GLN B 80 -0.390 -2.908 7.506 1.00 0.75 H new ATOM 0 HB2 GLN B 80 -3.277 -3.424 6.781 1.00 0.79 H new ATOM 0 HB3 GLN B 80 -2.232 -4.341 7.847 1.00 0.79 H new ATOM 0 HG2 GLN B 80 -2.174 -2.308 9.397 1.00 1.54 H new ATOM 0 HG3 GLN B 80 -3.395 -1.571 8.379 1.00 1.54 H new ATOM 0 HE21 GLN B 80 -3.859 -4.936 8.219 1.00 2.80 H new ATOM 0 HE22 GLN B 80 -5.073 -5.090 9.493 1.00 2.80 H new ATOM 1315 N ALA B 81 -2.085 -2.714 4.655 1.00 0.55 N ATOM 1316 CA ALA B 81 -2.049 -3.147 3.234 1.00 0.51 C ATOM 1317 C ALA B 81 -0.664 -2.928 2.650 1.00 0.48 C ATOM 1318 O ALA B 81 -0.247 -3.671 1.796 1.00 0.63 O ATOM 1319 CB ALA B 81 -3.066 -2.362 2.407 1.00 0.50 C ATOM 0 H ALA B 81 -2.864 -2.105 4.906 1.00 0.55 H new ATOM 0 HA ALA B 81 -2.297 -4.208 3.200 1.00 0.51 H new ATOM 0 HB1 ALA B 81 -3.025 -2.693 1.369 1.00 0.50 H new ATOM 0 HB2 ALA B 81 -4.067 -2.533 2.803 1.00 0.50 H new ATOM 0 HB3 ALA B 81 -2.833 -1.298 2.458 1.00 0.50 H new ATOM 1325 N ILE B 82 0.053 -1.922 3.087 1.00 0.47 N ATOM 1326 CA ILE B 82 1.417 -1.698 2.524 1.00 0.51 C ATOM 1327 C ILE B 82 2.456 -2.422 3.385 1.00 0.55 C ATOM 1328 O ILE B 82 3.238 -3.196 2.884 1.00 0.57 O ATOM 1329 CB ILE B 82 1.713 -0.172 2.415 1.00 0.60 C ATOM 1330 CG1 ILE B 82 2.577 0.097 1.179 1.00 0.81 C ATOM 1331 CG2 ILE B 82 2.455 0.366 3.648 1.00 0.76 C ATOM 1332 CD1 ILE B 82 1.692 0.268 -0.056 1.00 0.99 C ATOM 0 H ILE B 82 -0.243 -1.255 3.800 1.00 0.47 H new ATOM 0 HA ILE B 82 1.470 -2.111 1.517 1.00 0.51 H new ATOM 0 HB ILE B 82 0.752 0.337 2.341 1.00 0.60 H new ATOM 0 HG12 ILE B 82 3.176 0.994 1.333 1.00 0.81 H new ATOM 0 HG13 ILE B 82 3.273 -0.728 1.026 1.00 0.81 H new ATOM 0 HG21 ILE B 82 2.639 1.433 3.525 1.00 0.76 H new ATOM 0 HG22 ILE B 82 1.848 0.202 4.538 1.00 0.76 H new ATOM 0 HG23 ILE B 82 3.406 -0.156 3.757 1.00 0.76 H new ATOM 0 HD11 ILE B 82 2.317 0.459 -0.928 1.00 0.99 H new ATOM 0 HD12 ILE B 82 1.112 -0.641 -0.217 1.00 0.99 H new ATOM 0 HD13 ILE B 82 1.015 1.108 0.095 1.00 0.99 H new ATOM 1344 N PHE B 83 2.469 -2.196 4.667 1.00 0.61 N ATOM 1345 CA PHE B 83 3.472 -2.881 5.530 1.00 0.71 C ATOM 1346 C PHE B 83 3.091 -4.342 5.711 1.00 0.68 C ATOM 1347 O PHE B 83 3.919 -5.222 5.584 1.00 0.70 O ATOM 1348 CB PHE B 83 3.563 -2.149 6.883 1.00 0.93 C ATOM 1349 CG PHE B 83 3.308 -3.094 8.041 1.00 0.87 C ATOM 1350 CD1 PHE B 83 4.216 -4.122 8.328 1.00 1.72 C ATOM 1351 CD2 PHE B 83 2.163 -2.935 8.836 1.00 1.80 C ATOM 1352 CE1 PHE B 83 3.978 -4.988 9.402 1.00 2.53 C ATOM 1353 CE2 PHE B 83 1.926 -3.801 9.910 1.00 2.56 C ATOM 1354 CZ PHE B 83 2.834 -4.828 10.192 1.00 2.75 C ATOM 0 H PHE B 83 1.830 -1.568 5.155 1.00 0.61 H new ATOM 0 HA PHE B 83 4.453 -2.851 5.056 1.00 0.71 H new ATOM 0 HB2 PHE B 83 4.550 -1.699 6.989 1.00 0.93 H new ATOM 0 HB3 PHE B 83 2.837 -1.336 6.908 1.00 0.93 H new ATOM 0 HD1 PHE B 83 5.100 -4.246 7.720 1.00 1.72 H new ATOM 0 HD2 PHE B 83 1.462 -2.142 8.619 1.00 1.80 H new ATOM 0 HE1 PHE B 83 4.678 -5.781 9.621 1.00 2.53 H new ATOM 0 HE2 PHE B 83 1.044 -3.677 10.520 1.00 2.56 H new ATOM 0 HZ PHE B 83 2.652 -5.497 11.020 1.00 2.75 H new ATOM 1364 N ASN B 84 1.858 -4.625 6.000 1.00 0.69 N ATOM 1365 CA ASN B 84 1.481 -6.042 6.171 1.00 0.75 C ATOM 1366 C ASN B 84 1.774 -6.757 4.874 1.00 0.68 C ATOM 1367 O ASN B 84 2.162 -7.908 4.854 1.00 0.73 O ATOM 1368 CB ASN B 84 0.004 -6.161 6.496 1.00 0.84 C ATOM 1369 CG ASN B 84 -0.273 -7.501 7.188 1.00 0.93 C ATOM 1370 OD1 ASN B 84 0.638 -8.252 7.478 1.00 1.50 O ATOM 1371 ND2 ASN B 84 -1.503 -7.839 7.462 1.00 1.18 N ATOM 0 H ASN B 84 1.107 -3.946 6.123 1.00 0.69 H new ATOM 0 HA ASN B 84 2.047 -6.482 6.992 1.00 0.75 H new ATOM 0 HB2 ASN B 84 -0.302 -5.338 7.142 1.00 0.84 H new ATOM 0 HB3 ASN B 84 -0.585 -6.085 5.582 1.00 0.84 H new ATOM 0 HD21 ASN B 84 -1.697 -8.730 7.918 1.00 1.18 H new ATOM 0 HD22 ASN B 84 -2.270 -7.212 7.220 1.00 1.18 H new ATOM 1378 N TYR B 85 1.607 -6.074 3.778 1.00 0.60 N ATOM 1379 CA TYR B 85 1.895 -6.711 2.487 1.00 0.60 C ATOM 1380 C TYR B 85 3.352 -7.129 2.490 1.00 0.56 C ATOM 1381 O TYR B 85 3.709 -8.162 1.966 1.00 0.63 O ATOM 1382 CB TYR B 85 1.600 -5.706 1.379 1.00 0.58 C ATOM 1383 CG TYR B 85 2.379 -5.998 0.125 1.00 0.64 C ATOM 1384 CD1 TYR B 85 1.943 -6.983 -0.764 1.00 1.24 C ATOM 1385 CD2 TYR B 85 3.520 -5.242 -0.168 1.00 1.50 C ATOM 1386 CE1 TYR B 85 2.652 -7.215 -1.947 1.00 1.31 C ATOM 1387 CE2 TYR B 85 4.232 -5.477 -1.347 1.00 1.57 C ATOM 1388 CZ TYR B 85 3.796 -6.463 -2.239 1.00 0.91 C ATOM 1389 OH TYR B 85 4.493 -6.694 -3.406 1.00 1.09 O ATOM 0 H TYR B 85 1.285 -5.107 3.730 1.00 0.60 H new ATOM 0 HA TYR B 85 1.278 -7.594 2.320 1.00 0.60 H new ATOM 0 HB2 TYR B 85 0.534 -5.719 1.154 1.00 0.58 H new ATOM 0 HB3 TYR B 85 1.840 -4.702 1.728 1.00 0.58 H new ATOM 0 HD1 TYR B 85 1.061 -7.564 -0.539 1.00 1.24 H new ATOM 0 HD2 TYR B 85 3.850 -4.476 0.518 1.00 1.50 H new ATOM 0 HE1 TYR B 85 2.316 -7.976 -2.636 1.00 1.31 H new ATOM 0 HE2 TYR B 85 5.117 -4.899 -1.569 1.00 1.57 H new ATOM 0 HH TYR B 85 4.918 -5.862 -3.703 1.00 1.09 H new ATOM 1399 N LEU B 86 4.202 -6.363 3.114 1.00 0.51 N ATOM 1400 CA LEU B 86 5.628 -6.795 3.155 1.00 0.54 C ATOM 1401 C LEU B 86 5.727 -8.014 4.070 1.00 0.65 C ATOM 1402 O LEU B 86 6.389 -8.987 3.765 1.00 0.73 O ATOM 1403 CB LEU B 86 6.536 -5.699 3.719 1.00 0.56 C ATOM 1404 CG LEU B 86 6.379 -4.380 2.947 1.00 0.48 C ATOM 1405 CD1 LEU B 86 7.178 -3.286 3.664 1.00 1.21 C ATOM 1406 CD2 LEU B 86 6.895 -4.506 1.498 1.00 1.07 C ATOM 0 H LEU B 86 3.983 -5.484 3.584 1.00 0.51 H new ATOM 0 HA LEU B 86 5.951 -7.020 2.138 1.00 0.54 H new ATOM 0 HB2 LEU B 86 6.300 -5.536 4.771 1.00 0.56 H new ATOM 0 HB3 LEU B 86 7.575 -6.027 3.673 1.00 0.56 H new ATOM 0 HG LEU B 86 5.319 -4.129 2.912 1.00 0.48 H new ATOM 0 HD11 LEU B 86 7.073 -2.345 3.124 1.00 1.21 H new ATOM 0 HD12 LEU B 86 6.800 -3.165 4.679 1.00 1.21 H new ATOM 0 HD13 LEU B 86 8.230 -3.568 3.700 1.00 1.21 H new ATOM 0 HD21 LEU B 86 6.768 -3.554 0.982 1.00 1.07 H new ATOM 0 HD22 LEU B 86 7.951 -4.774 1.510 1.00 1.07 H new ATOM 0 HD23 LEU B 86 6.330 -5.279 0.977 1.00 1.07 H new ATOM 1418 N GLU B 87 5.074 -7.959 5.200 1.00 0.71 N ATOM 1419 CA GLU B 87 5.127 -9.101 6.151 1.00 0.86 C ATOM 1420 C GLU B 87 4.505 -10.341 5.516 1.00 0.91 C ATOM 1421 O GLU B 87 4.876 -11.457 5.818 1.00 1.03 O ATOM 1422 CB GLU B 87 4.377 -8.747 7.434 1.00 0.95 C ATOM 1423 CG GLU B 87 4.653 -9.816 8.494 1.00 1.44 C ATOM 1424 CD GLU B 87 3.812 -9.533 9.740 1.00 2.07 C ATOM 1425 OE1 GLU B 87 2.705 -9.043 9.585 1.00 2.51 O ATOM 1426 OE2 GLU B 87 4.288 -9.814 10.828 1.00 2.75 O ATOM 0 H GLU B 87 4.505 -7.169 5.504 1.00 0.71 H new ATOM 0 HA GLU B 87 6.169 -9.310 6.392 1.00 0.86 H new ATOM 0 HB2 GLU B 87 4.694 -7.769 7.796 1.00 0.95 H new ATOM 0 HB3 GLU B 87 3.307 -8.682 7.237 1.00 0.95 H new ATOM 0 HG2 GLU B 87 4.415 -10.804 8.099 1.00 1.44 H new ATOM 0 HG3 GLU B 87 5.712 -9.822 8.752 1.00 1.44 H new ATOM 1433 N LYS B 88 3.559 -10.166 4.643 1.00 0.87 N ATOM 1434 CA LYS B 88 2.940 -11.354 4.007 1.00 0.99 C ATOM 1435 C LYS B 88 3.971 -12.030 3.107 1.00 1.01 C ATOM 1436 O LYS B 88 4.391 -13.145 3.343 1.00 1.15 O ATOM 1437 CB LYS B 88 1.731 -10.935 3.169 1.00 1.02 C ATOM 1438 CG LYS B 88 0.444 -11.316 3.904 1.00 1.21 C ATOM 1439 CD LYS B 88 -0.762 -10.915 3.057 1.00 1.27 C ATOM 1440 CE LYS B 88 -2.048 -11.301 3.789 1.00 1.37 C ATOM 1441 NZ LYS B 88 -2.818 -10.071 4.129 1.00 1.90 N ATOM 0 H LYS B 88 3.191 -9.263 4.345 1.00 0.87 H new ATOM 0 HA LYS B 88 2.609 -12.045 4.782 1.00 0.99 H new ATOM 0 HB2 LYS B 88 1.755 -9.860 2.989 1.00 1.02 H new ATOM 0 HB3 LYS B 88 1.764 -11.422 2.195 1.00 1.02 H new ATOM 0 HG2 LYS B 88 0.426 -12.389 4.097 1.00 1.21 H new ATOM 0 HG3 LYS B 88 0.404 -10.817 4.872 1.00 1.21 H new ATOM 0 HD2 LYS B 88 -0.747 -9.842 2.868 1.00 1.27 H new ATOM 0 HD3 LYS B 88 -0.720 -11.410 2.087 1.00 1.27 H new ATOM 0 HE2 LYS B 88 -2.651 -11.959 3.163 1.00 1.37 H new ATOM 0 HE3 LYS B 88 -1.809 -11.855 4.697 1.00 1.37 H new ATOM 0 HZ1 LYS B 88 -3.579 -10.311 4.796 1.00 1.90 H new ATOM 0 HZ2 LYS B 88 -2.182 -9.373 4.566 1.00 1.90 H new ATOM 0 HZ3 LYS B 88 -3.231 -9.669 3.263 1.00 1.90 H new ATOM 1455 N LEU B 89 4.369 -11.356 2.070 1.00 0.93 N ATOM 1456 CA LEU B 89 5.365 -11.931 1.123 1.00 1.03 C ATOM 1457 C LEU B 89 6.760 -11.907 1.708 1.00 1.08 C ATOM 1458 O LEU B 89 7.719 -12.263 1.054 1.00 1.28 O ATOM 1459 CB LEU B 89 5.356 -11.131 -0.174 1.00 0.99 C ATOM 1460 CG LEU B 89 5.652 -9.660 0.150 1.00 0.77 C ATOM 1461 CD1 LEU B 89 7.027 -9.287 -0.408 1.00 0.86 C ATOM 1462 CD2 LEU B 89 4.590 -8.760 -0.488 1.00 0.80 C ATOM 0 H LEU B 89 4.044 -10.419 1.833 1.00 0.93 H new ATOM 0 HA LEU B 89 5.088 -12.968 0.931 1.00 1.03 H new ATOM 0 HB2 LEU B 89 6.103 -11.523 -0.864 1.00 0.99 H new ATOM 0 HB3 LEU B 89 4.388 -11.222 -0.667 1.00 0.99 H new ATOM 0 HG LEU B 89 5.639 -9.522 1.231 1.00 0.77 H new ATOM 0 HD11 LEU B 89 7.241 -8.243 -0.180 1.00 0.86 H new ATOM 0 HD12 LEU B 89 7.788 -9.921 0.046 1.00 0.86 H new ATOM 0 HD13 LEU B 89 7.032 -9.431 -1.488 1.00 0.86 H new ATOM 0 HD21 LEU B 89 4.807 -7.718 -0.253 1.00 0.80 H new ATOM 0 HD22 LEU B 89 4.598 -8.898 -1.569 1.00 0.80 H new ATOM 0 HD23 LEU B 89 3.607 -9.023 -0.096 1.00 0.80 H new ATOM 1474 N GLU B 90 6.897 -11.505 2.918 1.00 1.02 N ATOM 1475 CA GLU B 90 8.246 -11.480 3.504 1.00 1.15 C ATOM 1476 C GLU B 90 8.802 -12.908 3.476 1.00 2.15 C ATOM 1477 O GLU B 90 8.106 -13.860 3.770 1.00 2.87 O ATOM 1478 CB GLU B 90 8.125 -10.947 4.934 1.00 1.69 C ATOM 1479 CG GLU B 90 9.130 -11.616 5.862 1.00 2.46 C ATOM 1480 CD GLU B 90 10.539 -11.506 5.271 1.00 3.39 C ATOM 1481 OE1 GLU B 90 10.994 -10.390 5.080 1.00 3.98 O ATOM 1482 OE2 GLU B 90 11.136 -12.539 5.019 1.00 3.89 O ATOM 0 H GLU B 90 6.141 -11.193 3.528 1.00 1.02 H new ATOM 0 HA GLU B 90 8.926 -10.835 2.948 1.00 1.15 H new ATOM 0 HB2 GLU B 90 8.286 -9.869 4.937 1.00 1.69 H new ATOM 0 HB3 GLU B 90 7.114 -11.120 5.304 1.00 1.69 H new ATOM 0 HG2 GLU B 90 9.101 -11.145 6.844 1.00 2.46 H new ATOM 0 HG3 GLU B 90 8.866 -12.664 6.003 1.00 2.46 H new TER 1489 GLU B 90 END