USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 868 hydrogens (0 hets) HEADER HYDROLASE 09-JAN-02 1IT5 TITLE SOLUTION STRUCTURE OF APO-TYPE PLA2 FROM STREPTOMYCES TITLE 2 VIOLACERUBER A-2688. COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHOLIPASE A2; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.1.4; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VIOLACEORUBER; SOURCE 3 ORGANISM_TAXID: 1935; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PROKARYOTIC PLA2, HYDROLASE EXPDTA SOLUTION NMR AUTHOR M.SUGIYAMA,K.OHTANI,M.IZUHARA,T.KOIKE REVDAT 3 24-FEB-09 1IT5 1 VERSN REVDAT 2 01-APR-03 1IT5 1 JRNL REVDAT 1 04-SEP-02 1IT5 0 JRNL AUTH M.SUGIYAMA,K.OHTANI,M.IZUHARA,T.KOIKE,K.SUZUKI, JRNL AUTH 2 S.IMAMURA,H.MISAKI JRNL TITL A NOVEL PROKARYOTIC PHOSPHOLIPASE A2. JRNL TITL 2 CHARACTERIZATION, GENE CLONING, AND SOLUTION JRNL TITL 3 STRUCTURE. JRNL REF J.BIOL.CHEM. V. 277 20051 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 11897786 JRNL DOI 10.1074/JBC.M200264200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1IT5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-MAR-02. REMARK 100 THE RCSB ID CODE IS RCSB005254. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 LEU A 44 -138.66 57.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IT4 RELATED DB: PDB REMARK 900 1IT4 CONTAINS CALCIUM BOUNDED PLA2 DBREF 1IT5 A 1 120 UNP Q6UV28 Q6UV28_STRVN 30 149 SEQRES 1 A 122 ALA PRO ALA ASP LYS PRO GLN VAL LEU ALA SER PHE THR SEQRES 2 A 122 GLN THR SER ALA SER SER GLN ASN ALA TRP LEU ALA ALA SEQRES 3 A 122 ASN ARG ASN GLN SER ALA TRP ALA ALA TYR GLU PHE ASP SEQRES 4 A 122 TRP SER THR ASP LEU CYS THR GLN ALA PRO ASP ASN PRO SEQRES 5 A 122 PHE GLY PHE PRO PHE ASN THR ALA CYS ALA ARG HIS ASP SEQRES 6 A 122 PHE GLY TYR ARG ASN TYR LYS ALA ALA GLY SER PHE ASP SEQRES 7 A 122 ALA ASN LYS SER ARG ILE ASP SER ALA PHE TYR GLU ASP SEQRES 8 A 122 MET LYS ARG VAL CYS THR GLY TYR THR GLY GLU LYS ASN SEQRES 9 A 122 THR ALA CYS ASN SER THR ALA TRP THR TYR TYR GLN ALA SEQRES 10 A 122 VAL LYS ILE PHE GLY HELIX 1 1 ASP A 4 PHE A 12 1 9 HELIX 2 2 SER A 16 ASN A 29 1 14 HELIX 3 3 GLN A 30 GLU A 37 5 8 HELIX 4 4 PHE A 57 ALA A 74 1 18 HELIX 5 5 ASN A 80 THR A 97 1 18 HELIX 6 6 THR A 100 ILE A 120 1 21 SSBOND *** CYS A 45 CYS A 61 1555 1555 2.03 SSBOND *** CYS A 96 CYS A 107 1555 1555 2.03 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 82 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 81:sc= 0.0359 USER MOD Set 1.3: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 TYR OH : rot 36:sc= 1.24 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 176:sc= 3.19 (180deg=3.12) USER MOD Set 3.1: A 46 THR OG1 : rot -77:sc= 0.205 USER MOD Set 3.2: A 47 GLN : amide:sc= 0 X(o=0.21,f=0.13) USER MOD Set 4.1: A 27 ASN :FLIP amide:sc= 0.249 F(o=-0.91,f=0.52) USER MOD Set 4.2: A 30 GLN :FLIP amide:sc= 0.271 F(o=-0.81,f=0.52) USER MOD Set 5.1: A 16 SER OG : rot 125:sc= 0.16 USER MOD Set 5.2: A 18 SER OG : rot 180:sc= 0.154 USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0927 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.08) USER MOD Single : A 7 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.34) USER MOD Single : A 11 SER OG : rot 78:sc= 0.24 USER MOD Single : A 13 THR OG1 : rot -84:sc= 1.43 USER MOD Single : A 14 GLN : amide:sc= 1.03 K(o=1,f=-0.1) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 82:sc= 1.88 USER MOD Single : A 20 GLN : amide:sc= 0.45 K(o=0.45,f=-3.4!) USER MOD Single : A 21 ASN : amide:sc= -0.041 K(o=-0.041,f=-1.5!) USER MOD Single : A 29 ASN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -145:sc= 1.21 USER MOD Single : A 41 SER OG : rot -82:sc= 2.04 USER MOD Single : A 42 THR OG1 : rot 53:sc= 1.76 USER MOD Single : A 51 ASN : amide:sc= 1 K(o=1,f=-4.2!) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0895 F(o=-1.9!,f=-0.09) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-4.1!) USER MOD Single : A 70 ASN : amide:sc= 1.88 K(o=1.9,f=-5.8!) USER MOD Single : A 71 TYR OH : rot 80:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 80 ASN : amide:sc= 2.13 K(o=2.1,f=-6.5!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -160:sc= -0.283 (180deg=-1.12) USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.759) USER MOD Single : A 97 THR OG1 : rot -61:sc= 0.735 USER MOD Single : A 99 TYR OH : rot 165:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -152:sc= -0.591 (180deg=-1.83!) USER MOD Single : A 104 ASN : amide:sc= 0.0712 X(o=0.071,f=-0.081) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0516 K(o=-0.052,f=-0.59) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 71:sc= 0.289 USER MOD Single : A 113 THR OG1 : rot 76:sc= 0.327 USER MOD Single : A 114 TYR OH : rot -42:sc= -0.426 USER MOD Single : A 116 GLN : amide:sc= -0.184 X(o=-0.18,f=0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.489 2.342 3.137 1.00 18.93 N ATOM 2 CA ALA A 1 -7.981 3.333 4.139 1.00 17.43 C ATOM 3 C ALA A 1 -9.096 4.185 3.534 1.00 15.88 C ATOM 4 O ALA A 1 -9.289 4.200 2.317 1.00 16.73 O ATOM 5 CB ALA A 1 -6.826 4.230 4.602 1.00 18.35 C ATOM 0 H1 ALA A 1 -7.878 1.403 3.357 1.00 18.93 H new ATOM 0 H2 ALA A 1 -7.795 2.629 2.185 1.00 18.93 H new ATOM 0 H3 ALA A 1 -6.450 2.302 3.169 1.00 18.93 H new ATOM 0 HA ALA A 1 -8.378 2.795 5.000 1.00 17.43 H new ATOM 0 HB1 ALA A 1 -7.195 4.950 5.333 1.00 18.35 H new ATOM 0 HB2 ALA A 1 -6.049 3.616 5.057 1.00 18.35 H new ATOM 0 HB3 ALA A 1 -6.413 4.762 3.745 1.00 18.35 H new ATOM 13 N PRO A 2 -9.856 4.894 4.380 1.00 14.22 N ATOM 14 CA PRO A 2 -10.938 5.731 3.851 1.00 12.68 C ATOM 15 C PRO A 2 -10.440 6.836 2.898 1.00 11.76 C ATOM 16 O PRO A 2 -9.279 7.271 2.953 1.00 10.19 O ATOM 17 CB PRO A 2 -11.615 6.287 5.108 1.00 13.04 C ATOM 18 CG PRO A 2 -11.158 5.383 6.230 1.00 12.44 C ATOM 19 CD PRO A 2 -9.783 4.952 5.850 1.00 13.40 C ATOM 0 HA PRO A 2 -11.627 5.165 3.224 1.00 12.68 H new ATOM 0 HB2 PRO A 2 -11.322 7.321 5.290 1.00 13.04 H new ATOM 0 HB3 PRO A 2 -12.700 6.276 5.009 1.00 13.04 H new ATOM 0 HG2 PRO A 2 -11.156 5.910 7.184 1.00 12.44 H new ATOM 0 HG3 PRO A 2 -11.823 4.526 6.341 1.00 12.44 H new ATOM 0 HD2 PRO A 2 -9.028 5.661 6.190 1.00 13.40 H new ATOM 0 HD3 PRO A 2 -9.529 3.984 6.281 1.00 13.40 H new ATOM 27 N ALA A 3 -11.337 7.273 2.023 1.00 11.68 N ATOM 28 CA ALA A 3 -11.038 8.295 1.025 1.00 12.86 C ATOM 29 C ALA A 3 -10.570 9.640 1.580 1.00 12.79 C ATOM 30 O ALA A 3 -9.793 10.344 0.929 1.00 14.12 O ATOM 31 CB ALA A 3 -12.257 8.506 0.137 1.00 12.77 C ATOM 0 H ALA A 3 -12.296 6.928 1.985 1.00 11.68 H new ATOM 0 HA ALA A 3 -10.189 7.908 0.462 1.00 12.86 H new ATOM 0 HB1 ALA A 3 -12.036 9.269 -0.609 1.00 12.77 H new ATOM 0 HB2 ALA A 3 -12.509 7.571 -0.364 1.00 12.77 H new ATOM 0 HB3 ALA A 3 -13.100 8.829 0.747 1.00 12.77 H new ATOM 37 N ASP A 4 -11.039 10.006 2.769 1.00 12.18 N ATOM 38 CA ASP A 4 -10.649 11.286 3.354 1.00 11.78 C ATOM 39 C ASP A 4 -9.439 11.242 4.287 1.00 11.29 C ATOM 40 O ASP A 4 -9.196 12.191 5.026 1.00 10.50 O ATOM 41 CB ASP A 4 -11.842 11.918 4.081 1.00 13.61 C ATOM 42 CG ASP A 4 -12.326 11.093 5.261 1.00 15.00 C ATOM 43 OD1 ASP A 4 -11.748 10.020 5.527 1.00 16.34 O ATOM 44 OD2 ASP A 4 -13.292 11.526 5.927 1.00 16.25 O ATOM 0 H ASP A 4 -11.677 9.448 3.337 1.00 12.18 H new ATOM 0 HA ASP A 4 -10.335 11.896 2.507 1.00 11.78 H new ATOM 0 HB2 ASP A 4 -11.562 12.912 4.431 1.00 13.61 H new ATOM 0 HB3 ASP A 4 -12.662 12.048 3.375 1.00 13.61 H new ATOM 49 N LYS A 5 -8.667 10.159 4.244 1.00 10.43 N ATOM 50 CA LYS A 5 -7.497 10.049 5.107 1.00 10.11 C ATOM 51 C LYS A 5 -6.522 11.219 4.951 1.00 9.90 C ATOM 52 O LYS A 5 -6.038 11.757 5.944 1.00 7.99 O ATOM 53 CB LYS A 5 -6.743 8.734 4.860 1.00 11.09 C ATOM 54 CG LYS A 5 -5.433 8.654 5.645 1.00 10.95 C ATOM 55 CD LYS A 5 -4.873 7.245 5.738 1.00 11.43 C ATOM 56 CE LYS A 5 -3.545 7.253 6.484 1.00 11.89 C ATOM 57 NZ LYS A 5 -2.962 5.893 6.664 1.00 13.45 N ATOM 0 H LYS A 5 -8.827 9.359 3.632 1.00 10.43 H new ATOM 0 HA LYS A 5 -7.885 10.069 6.126 1.00 10.11 H new ATOM 0 HB2 LYS A 5 -7.381 7.895 5.138 1.00 11.09 H new ATOM 0 HB3 LYS A 5 -6.532 8.635 3.795 1.00 11.09 H new ATOM 0 HG2 LYS A 5 -4.694 9.301 5.172 1.00 10.95 H new ATOM 0 HG3 LYS A 5 -5.596 9.040 6.651 1.00 10.95 H new ATOM 0 HD2 LYS A 5 -5.583 6.597 6.252 1.00 11.43 H new ATOM 0 HD3 LYS A 5 -4.734 6.835 4.738 1.00 11.43 H new ATOM 0 HE2 LYS A 5 -2.835 7.876 5.941 1.00 11.89 H new ATOM 0 HE3 LYS A 5 -3.688 7.712 7.462 1.00 11.89 H new ATOM 0 HZ1 LYS A 5 -2.037 5.971 7.132 1.00 13.45 H new ATOM 0 HZ2 LYS A 5 -3.599 5.317 7.250 1.00 13.45 H new ATOM 0 HZ3 LYS A 5 -2.843 5.441 5.735 1.00 13.45 H new ATOM 71 N PRO A 6 -6.209 11.623 3.705 1.00 10.02 N ATOM 72 CA PRO A 6 -5.273 12.745 3.542 1.00 10.30 C ATOM 73 C PRO A 6 -5.754 14.034 4.216 1.00 10.50 C ATOM 74 O PRO A 6 -4.950 14.788 4.770 1.00 10.20 O ATOM 75 CB PRO A 6 -5.147 12.895 2.025 1.00 11.75 C ATOM 76 CG PRO A 6 -5.585 11.567 1.475 1.00 11.14 C ATOM 77 CD PRO A 6 -6.652 11.089 2.406 1.00 9.37 C ATOM 0 HA PRO A 6 -4.317 12.551 4.028 1.00 10.30 H new ATOM 0 HB2 PRO A 6 -5.775 13.705 1.653 1.00 11.75 H new ATOM 0 HB3 PRO A 6 -4.123 13.126 1.733 1.00 11.75 H new ATOM 0 HG2 PRO A 6 -5.966 11.668 0.459 1.00 11.14 H new ATOM 0 HG3 PRO A 6 -4.753 10.864 1.435 1.00 11.14 H new ATOM 0 HD2 PRO A 6 -7.634 11.469 2.126 1.00 9.37 H new ATOM 0 HD3 PRO A 6 -6.722 10.001 2.418 1.00 9.37 H new ATOM 85 N GLN A 7 -7.064 14.270 4.172 1.00 9.09 N ATOM 86 CA GLN A 7 -7.656 15.457 4.781 1.00 11.46 C ATOM 87 C GLN A 7 -7.681 15.343 6.305 1.00 11.83 C ATOM 88 O GLN A 7 -7.483 16.335 7.014 1.00 11.72 O ATOM 89 CB GLN A 7 -9.077 15.674 4.250 1.00 12.65 C ATOM 90 CG GLN A 7 -9.110 16.150 2.807 1.00 18.53 C ATOM 91 CD GLN A 7 -9.076 15.004 1.814 1.00 20.39 C ATOM 92 OE1 GLN A 7 -8.052 14.738 1.186 1.00 23.57 O ATOM 93 NE2 GLN A 7 -10.202 14.321 1.668 1.00 22.28 N ATOM 0 H GLN A 7 -7.737 13.652 3.719 1.00 9.09 H new ATOM 0 HA GLN A 7 -7.038 16.314 4.513 1.00 11.46 H new ATOM 0 HB2 GLN A 7 -9.635 14.741 4.331 1.00 12.65 H new ATOM 0 HB3 GLN A 7 -9.585 16.405 4.879 1.00 12.65 H new ATOM 0 HG2 GLN A 7 -10.011 16.741 2.644 1.00 18.53 H new ATOM 0 HG3 GLN A 7 -8.260 16.808 2.626 1.00 18.53 H new ATOM 0 HE21 GLN A 7 -11.028 14.577 2.210 1.00 22.28 H new ATOM 0 HE22 GLN A 7 -10.243 13.539 1.014 1.00 22.28 H new ATOM 102 N VAL A 8 -7.926 14.136 6.808 1.00 10.48 N ATOM 103 CA VAL A 8 -7.949 13.906 8.246 1.00 9.16 C ATOM 104 C VAL A 8 -6.542 14.131 8.790 1.00 8.54 C ATOM 105 O VAL A 8 -6.359 14.767 9.831 1.00 8.10 O ATOM 106 CB VAL A 8 -8.409 12.464 8.572 1.00 8.71 C ATOM 107 CG1 VAL A 8 -8.081 12.119 10.020 1.00 8.95 C ATOM 108 CG2 VAL A 8 -9.901 12.336 8.330 1.00 8.65 C ATOM 0 H VAL A 8 -8.110 13.307 6.243 1.00 10.48 H new ATOM 0 HA VAL A 8 -8.655 14.595 8.709 1.00 9.16 H new ATOM 0 HB VAL A 8 -7.880 11.768 7.921 1.00 8.71 H new ATOM 0 HG11 VAL A 8 -8.410 11.102 10.235 1.00 8.95 H new ATOM 0 HG12 VAL A 8 -7.005 12.193 10.177 1.00 8.95 H new ATOM 0 HG13 VAL A 8 -8.593 12.815 10.685 1.00 8.95 H new ATOM 0 HG21 VAL A 8 -10.221 11.320 8.560 1.00 8.65 H new ATOM 0 HG22 VAL A 8 -10.435 13.039 8.970 1.00 8.65 H new ATOM 0 HG23 VAL A 8 -10.121 12.557 7.286 1.00 8.65 H new ATOM 118 N LEU A 9 -5.547 13.626 8.069 1.00 8.09 N ATOM 119 CA LEU A 9 -4.154 13.772 8.480 1.00 7.87 C ATOM 120 C LEU A 9 -3.754 15.250 8.502 1.00 7.47 C ATOM 121 O LEU A 9 -3.013 15.689 9.383 1.00 7.78 O ATOM 122 CB LEU A 9 -3.237 12.976 7.540 1.00 8.06 C ATOM 123 CG LEU A 9 -1.726 13.093 7.767 1.00 8.56 C ATOM 124 CD1 LEU A 9 -1.380 12.717 9.202 1.00 11.36 C ATOM 125 CD2 LEU A 9 -0.993 12.191 6.796 1.00 11.38 C ATOM 0 H LEU A 9 -5.678 13.112 7.198 1.00 8.09 H new ATOM 0 HA LEU A 9 -4.044 13.374 9.489 1.00 7.87 H new ATOM 0 HB2 LEU A 9 -3.509 11.923 7.615 1.00 8.06 H new ATOM 0 HB3 LEU A 9 -3.450 13.288 6.517 1.00 8.06 H new ATOM 0 HG LEU A 9 -1.417 14.124 7.595 1.00 8.56 H new ATOM 0 HD11 LEU A 9 -0.304 12.804 9.351 1.00 11.36 H new ATOM 0 HD12 LEU A 9 -1.897 13.387 9.889 1.00 11.36 H new ATOM 0 HD13 LEU A 9 -1.691 11.690 9.394 1.00 11.36 H new ATOM 0 HD21 LEU A 9 0.081 12.277 6.960 1.00 11.38 H new ATOM 0 HD22 LEU A 9 -1.303 11.158 6.954 1.00 11.38 H new ATOM 0 HD23 LEU A 9 -1.229 12.488 5.774 1.00 11.38 H new ATOM 137 N ALA A 10 -4.248 16.014 7.532 1.00 7.13 N ATOM 138 CA ALA A 10 -3.961 17.445 7.467 1.00 8.65 C ATOM 139 C ALA A 10 -4.618 18.145 8.665 1.00 8.19 C ATOM 140 O ALA A 10 -4.022 19.019 9.294 1.00 8.51 O ATOM 141 CB ALA A 10 -4.499 18.042 6.147 1.00 8.16 C ATOM 0 H ALA A 10 -4.847 15.668 6.782 1.00 7.13 H new ATOM 0 HA ALA A 10 -2.882 17.597 7.500 1.00 8.65 H new ATOM 0 HB1 ALA A 10 -4.278 19.109 6.113 1.00 8.16 H new ATOM 0 HB2 ALA A 10 -4.022 17.545 5.302 1.00 8.16 H new ATOM 0 HB3 ALA A 10 -5.577 17.893 6.093 1.00 8.16 H new ATOM 147 N SER A 11 -5.847 17.749 8.976 1.00 8.02 N ATOM 148 CA SER A 11 -6.582 18.345 10.083 1.00 8.54 C ATOM 149 C SER A 11 -5.915 18.128 11.438 1.00 8.61 C ATOM 150 O SER A 11 -6.038 18.961 12.333 1.00 9.17 O ATOM 151 CB SER A 11 -8.011 17.796 10.119 1.00 8.71 C ATOM 152 OG SER A 11 -8.760 18.271 9.012 1.00 11.47 O ATOM 0 H SER A 11 -6.354 17.018 8.477 1.00 8.02 H new ATOM 0 HA SER A 11 -6.592 19.420 9.904 1.00 8.54 H new ATOM 0 HB2 SER A 11 -7.987 16.706 10.107 1.00 8.71 H new ATOM 0 HB3 SER A 11 -8.497 18.094 11.048 1.00 8.71 H new ATOM 0 HG SER A 11 -8.519 17.761 8.211 1.00 11.47 H new ATOM 158 N PHE A 12 -5.206 17.014 11.585 1.00 8.74 N ATOM 159 CA PHE A 12 -4.527 16.684 12.840 1.00 8.43 C ATOM 160 C PHE A 12 -3.153 17.335 12.950 1.00 7.81 C ATOM 161 O PHE A 12 -2.522 17.277 14.008 1.00 8.27 O ATOM 162 CB PHE A 12 -4.311 15.161 12.957 1.00 9.03 C ATOM 163 CG PHE A 12 -5.536 14.381 13.330 1.00 8.66 C ATOM 164 CD1 PHE A 12 -6.558 14.954 14.075 1.00 8.86 C ATOM 165 CD2 PHE A 12 -5.661 13.050 12.934 1.00 10.18 C ATOM 166 CE1 PHE A 12 -7.688 14.216 14.423 1.00 10.48 C ATOM 167 CE2 PHE A 12 -6.790 12.304 13.279 1.00 10.19 C ATOM 168 CZ PHE A 12 -7.801 12.888 14.022 1.00 9.49 C ATOM 0 H PHE A 12 -5.084 16.319 10.848 1.00 8.74 H new ATOM 0 HA PHE A 12 -5.174 17.059 13.633 1.00 8.43 H new ATOM 0 HB2 PHE A 12 -3.935 14.787 12.005 1.00 9.03 H new ATOM 0 HB3 PHE A 12 -3.537 14.974 13.701 1.00 9.03 H new ATOM 0 HD1 PHE A 12 -6.476 15.984 14.389 1.00 8.86 H new ATOM 0 HD2 PHE A 12 -4.875 12.590 12.353 1.00 10.18 H new ATOM 0 HE1 PHE A 12 -8.475 14.674 15.003 1.00 10.48 H new ATOM 0 HE2 PHE A 12 -6.874 11.274 12.967 1.00 10.19 H new ATOM 0 HZ PHE A 12 -8.676 12.314 14.290 1.00 9.49 H new ATOM 178 N THR A 13 -2.685 17.950 11.868 1.00 6.65 N ATOM 179 CA THR A 13 -1.344 18.520 11.864 1.00 7.45 C ATOM 180 C THR A 13 -1.200 20.012 11.546 1.00 6.60 C ATOM 181 O THR A 13 -0.218 20.428 10.942 1.00 7.14 O ATOM 182 CB THR A 13 -0.438 17.706 10.905 1.00 8.09 C ATOM 183 OG1 THR A 13 -0.968 17.771 9.576 1.00 8.85 O ATOM 184 CG2 THR A 13 -0.375 16.239 11.348 1.00 8.61 C ATOM 0 H THR A 13 -3.204 18.065 10.998 1.00 6.65 H new ATOM 0 HA THR A 13 -1.037 18.447 12.907 1.00 7.45 H new ATOM 0 HB THR A 13 0.566 18.130 10.927 1.00 8.09 H new ATOM 0 HG1 THR A 13 -1.660 17.086 9.466 1.00 8.85 H new ATOM 0 HG21 THR A 13 0.265 15.680 10.665 1.00 8.61 H new ATOM 0 HG22 THR A 13 0.033 16.181 12.357 1.00 8.61 H new ATOM 0 HG23 THR A 13 -1.378 15.812 11.337 1.00 8.61 H new ATOM 192 N GLN A 14 -2.176 20.803 11.977 1.00 7.09 N ATOM 193 CA GLN A 14 -2.151 22.249 11.780 1.00 7.53 C ATOM 194 C GLN A 14 -1.601 22.877 13.066 1.00 7.83 C ATOM 195 O GLN A 14 -1.573 22.233 14.118 1.00 6.94 O ATOM 196 CB GLN A 14 -3.565 22.766 11.503 1.00 7.29 C ATOM 197 CG GLN A 14 -4.216 22.153 10.268 1.00 8.09 C ATOM 198 CD GLN A 14 -3.467 22.487 8.982 1.00 10.68 C ATOM 199 OE1 GLN A 14 -3.145 23.647 8.722 1.00 10.55 O ATOM 200 NE2 GLN A 14 -3.191 21.470 8.174 1.00 9.11 N ATOM 0 H GLN A 14 -3.002 20.464 12.470 1.00 7.09 H new ATOM 0 HA GLN A 14 -1.525 22.511 10.927 1.00 7.53 H new ATOM 0 HB2 GLN A 14 -4.192 22.563 12.371 1.00 7.29 H new ATOM 0 HB3 GLN A 14 -3.528 23.849 11.383 1.00 7.29 H new ATOM 0 HG2 GLN A 14 -4.262 21.070 10.386 1.00 8.09 H new ATOM 0 HG3 GLN A 14 -5.243 22.509 10.189 1.00 8.09 H new ATOM 0 HE21 GLN A 14 -3.476 20.524 8.429 1.00 9.11 H new ATOM 0 HE22 GLN A 14 -2.694 21.634 7.299 1.00 9.11 H new ATOM 209 N THR A 15 -1.168 24.128 12.986 1.00 7.77 N ATOM 210 CA THR A 15 -0.612 24.812 14.152 1.00 8.75 C ATOM 211 C THR A 15 -1.656 25.305 15.153 1.00 8.09 C ATOM 212 O THR A 15 -1.319 25.641 16.285 1.00 7.96 O ATOM 213 CB THR A 15 0.229 26.031 13.733 1.00 9.68 C ATOM 214 OG1 THR A 15 -0.612 26.969 13.045 1.00 10.60 O ATOM 215 CG2 THR A 15 1.376 25.606 12.824 1.00 10.06 C ATOM 0 H THR A 15 -1.189 24.689 12.134 1.00 7.77 H new ATOM 0 HA THR A 15 -0.003 24.051 14.640 1.00 8.75 H new ATOM 0 HB THR A 15 0.650 26.494 14.625 1.00 9.68 H new ATOM 0 HG1 THR A 15 -0.082 27.749 12.777 1.00 10.60 H new ATOM 0 HG21 THR A 15 1.958 26.482 12.539 1.00 10.06 H new ATOM 0 HG22 THR A 15 2.017 24.901 13.353 1.00 10.06 H new ATOM 0 HG23 THR A 15 0.974 25.131 11.929 1.00 10.06 H new ATOM 223 N SER A 16 -2.918 25.338 14.740 1.00 8.38 N ATOM 224 CA SER A 16 -3.990 25.830 15.590 1.00 8.14 C ATOM 225 C SER A 16 -4.296 24.967 16.806 1.00 9.09 C ATOM 226 O SER A 16 -3.982 23.773 16.844 1.00 9.11 O ATOM 227 CB SER A 16 -5.263 26.008 14.769 1.00 9.16 C ATOM 228 OG SER A 16 -5.727 24.762 14.279 1.00 12.69 O ATOM 0 H SER A 16 -3.222 25.028 13.817 1.00 8.38 H new ATOM 0 HA SER A 16 -3.630 26.782 15.981 1.00 8.14 H new ATOM 0 HB2 SER A 16 -6.035 26.472 15.383 1.00 9.16 H new ATOM 0 HB3 SER A 16 -5.071 26.683 13.935 1.00 9.16 H new ATOM 0 HG SER A 16 -6.655 24.625 14.561 1.00 12.69 H new ATOM 234 N ALA A 17 -4.916 25.592 17.802 1.00 8.08 N ATOM 235 CA ALA A 17 -5.291 24.903 19.022 1.00 8.33 C ATOM 236 C ALA A 17 -6.375 23.871 18.710 1.00 8.50 C ATOM 237 O ALA A 17 -6.401 22.796 19.312 1.00 8.26 O ATOM 238 CB ALA A 17 -5.802 25.906 20.063 1.00 8.07 C ATOM 0 H ALA A 17 -5.168 26.580 17.783 1.00 8.08 H new ATOM 0 HA ALA A 17 -4.417 24.396 19.431 1.00 8.33 H new ATOM 0 HB1 ALA A 17 -6.080 25.375 20.974 1.00 8.07 H new ATOM 0 HB2 ALA A 17 -5.017 26.628 20.289 1.00 8.07 H new ATOM 0 HB3 ALA A 17 -6.673 26.429 19.668 1.00 8.07 H new ATOM 244 N SER A 18 -7.263 24.194 17.772 1.00 7.11 N ATOM 245 CA SER A 18 -8.340 23.279 17.409 1.00 7.95 C ATOM 246 C SER A 18 -7.799 21.994 16.770 1.00 7.27 C ATOM 247 O SER A 18 -8.371 20.920 16.963 1.00 7.88 O ATOM 248 CB SER A 18 -9.337 23.963 16.464 1.00 8.77 C ATOM 249 OG SER A 18 -8.706 24.382 15.273 1.00 10.46 O ATOM 0 H SER A 18 -7.258 25.073 17.255 1.00 7.11 H new ATOM 0 HA SER A 18 -8.857 23.003 18.328 1.00 7.95 H new ATOM 0 HB2 SER A 18 -10.148 23.274 16.226 1.00 8.77 H new ATOM 0 HB3 SER A 18 -9.785 24.822 16.963 1.00 8.77 H new ATOM 0 HG SER A 18 -9.364 24.813 14.688 1.00 10.46 H new ATOM 255 N SER A 19 -6.702 22.103 16.022 1.00 6.92 N ATOM 256 CA SER A 19 -6.085 20.936 15.394 1.00 7.24 C ATOM 257 C SER A 19 -5.455 20.067 16.493 1.00 8.15 C ATOM 258 O SER A 19 -5.583 18.840 16.485 1.00 7.93 O ATOM 259 CB SER A 19 -5.016 21.373 14.392 1.00 6.74 C ATOM 260 OG SER A 19 -4.328 20.255 13.849 1.00 6.78 O ATOM 0 H SER A 19 -6.224 22.985 15.837 1.00 6.92 H new ATOM 0 HA SER A 19 -6.841 20.365 14.855 1.00 7.24 H new ATOM 0 HB2 SER A 19 -5.481 21.943 13.587 1.00 6.74 H new ATOM 0 HB3 SER A 19 -4.304 22.037 14.883 1.00 6.74 H new ATOM 0 HG SER A 19 -4.859 19.865 13.124 1.00 6.78 H new ATOM 266 N GLN A 20 -4.780 20.702 17.448 1.00 6.44 N ATOM 267 CA GLN A 20 -4.174 19.949 18.534 1.00 6.93 C ATOM 268 C GLN A 20 -5.252 19.273 19.375 1.00 7.05 C ATOM 269 O GLN A 20 -5.085 18.129 19.797 1.00 7.79 O ATOM 270 CB GLN A 20 -3.330 20.850 19.435 1.00 5.83 C ATOM 271 CG GLN A 20 -2.664 20.065 20.555 1.00 7.02 C ATOM 272 CD GLN A 20 -2.008 20.941 21.597 1.00 9.33 C ATOM 273 OE1 GLN A 20 -2.418 22.082 21.819 1.00 8.57 O ATOM 274 NE2 GLN A 20 -0.982 20.407 22.250 1.00 9.45 N ATOM 0 H GLN A 20 -4.643 21.712 17.490 1.00 6.44 H new ATOM 0 HA GLN A 20 -3.526 19.195 18.087 1.00 6.93 H new ATOM 0 HB2 GLN A 20 -2.567 21.349 18.838 1.00 5.83 H new ATOM 0 HB3 GLN A 20 -3.961 21.629 19.863 1.00 5.83 H new ATOM 0 HG2 GLN A 20 -3.410 19.434 21.039 1.00 7.02 H new ATOM 0 HG3 GLN A 20 -1.914 19.400 20.126 1.00 7.02 H new ATOM 0 HE21 GLN A 20 -0.677 19.458 22.033 1.00 9.45 H new ATOM 0 HE22 GLN A 20 -0.499 20.946 22.969 1.00 9.45 H new ATOM 283 N ASN A 21 -6.353 19.982 19.615 1.00 6.19 N ATOM 284 CA ASN A 21 -7.460 19.462 20.411 1.00 7.59 C ATOM 285 C ASN A 21 -8.121 18.273 19.729 1.00 7.15 C ATOM 286 O ASN A 21 -8.536 17.320 20.388 1.00 8.03 O ATOM 287 CB ASN A 21 -8.508 20.553 20.658 1.00 8.93 C ATOM 288 CG ASN A 21 -8.052 21.582 21.678 1.00 10.84 C ATOM 289 OD1 ASN A 21 -7.139 21.333 22.465 1.00 12.95 O ATOM 290 ND2 ASN A 21 -8.688 22.747 21.665 1.00 11.35 N ATOM 0 H ASN A 21 -6.502 20.928 19.265 1.00 6.19 H new ATOM 0 HA ASN A 21 -7.048 19.133 21.365 1.00 7.59 H new ATOM 0 HB2 ASN A 21 -8.733 21.055 19.717 1.00 8.93 H new ATOM 0 HB3 ASN A 21 -9.433 20.091 21.002 1.00 8.93 H new ATOM 0 HD21 ASN A 21 -8.425 23.479 22.325 1.00 11.35 H new ATOM 0 HD22 ASN A 21 -9.439 22.910 20.995 1.00 11.35 H new ATOM 297 N ALA A 22 -8.216 18.338 18.407 1.00 7.85 N ATOM 298 CA ALA A 22 -8.811 17.256 17.637 1.00 8.70 C ATOM 299 C ALA A 22 -7.885 16.046 17.708 1.00 7.98 C ATOM 300 O ALA A 22 -8.340 14.913 17.876 1.00 9.23 O ATOM 301 CB ALA A 22 -9.017 17.691 16.185 1.00 8.20 C ATOM 0 H ALA A 22 -7.889 19.126 17.848 1.00 7.85 H new ATOM 0 HA ALA A 22 -9.786 16.996 18.050 1.00 8.70 H new ATOM 0 HB1 ALA A 22 -9.463 16.873 15.620 1.00 8.20 H new ATOM 0 HB2 ALA A 22 -9.680 18.556 16.155 1.00 8.20 H new ATOM 0 HB3 ALA A 22 -8.056 17.955 15.744 1.00 8.20 H new ATOM 307 N TRP A 23 -6.585 16.282 17.596 1.00 7.31 N ATOM 308 CA TRP A 23 -5.633 15.182 17.658 1.00 8.19 C ATOM 309 C TRP A 23 -5.592 14.547 19.044 1.00 8.91 C ATOM 310 O TRP A 23 -5.484 13.327 19.175 1.00 9.14 O ATOM 311 CB TRP A 23 -4.233 15.653 17.280 1.00 7.78 C ATOM 312 CG TRP A 23 -3.261 14.530 17.261 1.00 7.16 C ATOM 313 CD1 TRP A 23 -3.052 13.644 16.245 1.00 9.08 C ATOM 314 CD2 TRP A 23 -2.390 14.136 18.325 1.00 8.76 C ATOM 315 NE1 TRP A 23 -2.103 12.717 16.609 1.00 9.06 N ATOM 316 CE2 TRP A 23 -1.680 12.997 17.882 1.00 8.80 C ATOM 317 CE3 TRP A 23 -2.140 14.634 19.612 1.00 7.83 C ATOM 318 CZ2 TRP A 23 -0.735 12.345 18.680 1.00 8.99 C ATOM 319 CZ3 TRP A 23 -1.199 13.986 20.407 1.00 10.54 C ATOM 320 CH2 TRP A 23 -0.508 12.851 19.935 1.00 9.96 C ATOM 0 H TRP A 23 -6.172 17.205 17.464 1.00 7.31 H new ATOM 0 HA TRP A 23 -5.970 14.432 16.942 1.00 8.19 H new ATOM 0 HB2 TRP A 23 -4.261 16.126 16.299 1.00 7.78 H new ATOM 0 HB3 TRP A 23 -3.900 16.410 17.990 1.00 7.78 H new ATOM 0 HD1 TRP A 23 -3.559 13.667 15.292 1.00 9.08 H new ATOM 0 HE1 TRP A 23 -1.769 11.948 16.027 1.00 9.06 H new ATOM 0 HE3 TRP A 23 -2.667 15.503 19.979 1.00 7.83 H new ATOM 0 HZ2 TRP A 23 -0.204 11.476 18.322 1.00 8.99 H new ATOM 0 HZ3 TRP A 23 -0.995 14.358 21.400 1.00 10.54 H new ATOM 0 HH2 TRP A 23 0.216 12.369 20.576 1.00 9.96 H new ATOM 331 N LEU A 24 -5.671 15.375 20.080 1.00 8.61 N ATOM 332 CA LEU A 24 -5.637 14.870 21.446 1.00 9.87 C ATOM 333 C LEU A 24 -6.808 13.922 21.716 1.00 9.26 C ATOM 334 O LEU A 24 -6.637 12.894 22.373 1.00 9.69 O ATOM 335 CB LEU A 24 -5.653 16.033 22.443 1.00 10.37 C ATOM 336 CG LEU A 24 -4.358 16.852 22.501 1.00 11.87 C ATOM 337 CD1 LEU A 24 -4.619 18.142 23.267 1.00 13.00 C ATOM 338 CD2 LEU A 24 -3.240 16.048 23.168 1.00 14.02 C ATOM 0 H LEU A 24 -5.758 16.388 20.001 1.00 8.61 H new ATOM 0 HA LEU A 24 -4.712 14.307 21.574 1.00 9.87 H new ATOM 0 HB2 LEU A 24 -6.476 16.700 22.188 1.00 10.37 H new ATOM 0 HB3 LEU A 24 -5.860 15.637 23.437 1.00 10.37 H new ATOM 0 HG LEU A 24 -4.037 17.091 21.487 1.00 11.87 H new ATOM 0 HD11 LEU A 24 -3.702 18.730 23.312 1.00 13.00 H new ATOM 0 HD12 LEU A 24 -5.394 18.716 22.759 1.00 13.00 H new ATOM 0 HD13 LEU A 24 -4.948 17.904 24.279 1.00 13.00 H new ATOM 0 HD21 LEU A 24 -2.330 16.647 23.199 1.00 14.02 H new ATOM 0 HD22 LEU A 24 -3.537 15.786 24.183 1.00 14.02 H new ATOM 0 HD23 LEU A 24 -3.056 15.138 22.597 1.00 14.02 H new ATOM 350 N ALA A 25 -7.988 14.266 21.208 1.00 8.17 N ATOM 351 CA ALA A 25 -9.167 13.426 21.387 1.00 8.11 C ATOM 352 C ALA A 25 -8.976 12.099 20.639 1.00 8.35 C ATOM 353 O ALA A 25 -9.358 11.038 21.131 1.00 9.45 O ATOM 354 CB ALA A 25 -10.416 14.153 20.877 1.00 8.31 C ATOM 0 H ALA A 25 -8.153 15.118 20.671 1.00 8.17 H new ATOM 0 HA ALA A 25 -9.300 13.217 22.448 1.00 8.11 H new ATOM 0 HB1 ALA A 25 -11.290 13.516 21.016 1.00 8.31 H new ATOM 0 HB2 ALA A 25 -10.550 15.080 21.434 1.00 8.31 H new ATOM 0 HB3 ALA A 25 -10.297 14.380 19.818 1.00 8.31 H new ATOM 360 N ALA A 26 -8.375 12.160 19.457 1.00 7.69 N ATOM 361 CA ALA A 26 -8.126 10.957 18.661 1.00 7.03 C ATOM 362 C ALA A 26 -7.101 10.070 19.359 1.00 7.67 C ATOM 363 O ALA A 26 -7.237 8.848 19.387 1.00 7.56 O ATOM 364 CB ALA A 26 -7.617 11.342 17.277 1.00 7.56 C ATOM 0 H ALA A 26 -8.050 13.026 19.026 1.00 7.69 H new ATOM 0 HA ALA A 26 -9.061 10.406 18.556 1.00 7.03 H new ATOM 0 HB1 ALA A 26 -7.435 10.440 16.693 1.00 7.56 H new ATOM 0 HB2 ALA A 26 -8.363 11.957 16.773 1.00 7.56 H new ATOM 0 HB3 ALA A 26 -6.689 11.905 17.374 1.00 7.56 H new ATOM 370 N ASN A 27 -6.066 10.698 19.905 1.00 8.04 N ATOM 371 CA ASN A 27 -5.002 9.992 20.609 1.00 9.19 C ATOM 372 C ASN A 27 -5.567 9.189 21.783 1.00 10.06 C ATOM 373 O ASN A 27 -5.083 8.096 22.090 1.00 9.88 O ATOM 374 CB ASN A 27 -3.966 11.000 21.113 1.00 7.45 C ATOM 375 CG ASN A 27 -2.748 10.339 21.715 1.00 8.91 C ATOM 376 OD1 ASN A 27 -2.118 9.448 20.958 1.00 12.15 O flip ATOM 377 ND2 ASN A 27 -2.370 10.632 22.854 1.00 7.47 N flip ATOM 0 H ASN A 27 -5.941 11.710 19.872 1.00 8.04 H new ATOM 0 HA ASN A 27 -4.527 9.296 19.918 1.00 9.19 H new ATOM 0 HB2 ASN A 27 -3.655 11.639 20.286 1.00 7.45 H new ATOM 0 HB3 ASN A 27 -4.428 11.647 21.859 1.00 7.45 H new ATOM 0 HD21 ASN A 27 -2.885 11.323 23.400 1.00 7.47 H new ATOM 0 HD22 ASN A 27 -1.543 10.183 23.248 1.00 7.47 H new ATOM 384 N ARG A 28 -6.592 9.741 22.431 1.00 10.34 N ATOM 385 CA ARG A 28 -7.240 9.094 23.572 1.00 11.30 C ATOM 386 C ARG A 28 -8.241 8.032 23.113 1.00 12.08 C ATOM 387 O ARG A 28 -8.694 7.207 23.913 1.00 12.97 O ATOM 388 CB ARG A 28 -7.983 10.131 24.420 1.00 12.40 C ATOM 389 CG ARG A 28 -7.097 10.978 25.315 1.00 14.79 C ATOM 390 CD ARG A 28 -7.924 11.737 26.344 1.00 19.86 C ATOM 391 NE ARG A 28 -9.338 11.800 25.981 1.00 24.39 N ATOM 392 CZ ARG A 28 -9.908 12.826 25.351 1.00 27.00 C ATOM 393 NH1 ARG A 28 -9.185 13.889 25.010 1.00 27.88 N ATOM 394 NH2 ARG A 28 -11.202 12.788 25.052 1.00 28.14 N ATOM 0 H ARG A 28 -6.995 10.644 22.182 1.00 10.34 H new ATOM 0 HA ARG A 28 -6.458 8.617 24.163 1.00 11.30 H new ATOM 0 HB2 ARG A 28 -8.540 10.791 23.755 1.00 12.40 H new ATOM 0 HB3 ARG A 28 -8.714 9.614 25.042 1.00 12.40 H new ATOM 0 HG2 ARG A 28 -6.373 10.341 25.824 1.00 14.79 H new ATOM 0 HG3 ARG A 28 -6.530 11.683 24.708 1.00 14.79 H new ATOM 0 HD2 ARG A 28 -7.822 11.255 27.316 1.00 19.86 H new ATOM 0 HD3 ARG A 28 -7.532 12.749 26.447 1.00 19.86 H new ATOM 0 HE ARG A 28 -9.928 11.005 26.226 1.00 24.39 H new ATOM 0 HH11 ARG A 28 -8.190 13.921 25.231 1.00 27.88 H new ATOM 0 HH12 ARG A 28 -9.626 14.672 24.528 1.00 27.88 H new ATOM 0 HH21 ARG A 28 -11.760 11.973 25.305 1.00 28.14 H new ATOM 0 HH22 ARG A 28 -11.637 13.574 24.570 1.00 28.14 H new ATOM 408 N ASN A 29 -8.588 8.063 21.830 1.00 10.03 N ATOM 409 CA ASN A 29 -9.541 7.116 21.264 1.00 9.99 C ATOM 410 C ASN A 29 -8.984 6.558 19.962 1.00 8.81 C ATOM 411 O ASN A 29 -9.695 6.502 18.964 1.00 9.33 O ATOM 412 CB ASN A 29 -10.874 7.815 20.967 1.00 11.67 C ATOM 413 CG ASN A 29 -11.568 8.315 22.214 1.00 13.47 C ATOM 414 OD1 ASN A 29 -12.200 7.544 22.941 1.00 15.51 O ATOM 415 ND2 ASN A 29 -11.460 9.613 22.470 1.00 14.21 N ATOM 0 H ASN A 29 -8.221 8.738 21.160 1.00 10.03 H new ATOM 0 HA ASN A 29 -9.705 6.313 21.982 1.00 9.99 H new ATOM 0 HB2 ASN A 29 -10.696 8.655 20.295 1.00 11.67 H new ATOM 0 HB3 ASN A 29 -11.533 7.122 20.444 1.00 11.67 H new ATOM 0 HD21 ASN A 29 -11.910 10.009 23.295 1.00 14.21 H new ATOM 0 HD22 ASN A 29 -10.927 10.214 21.841 1.00 14.21 H new ATOM 422 N GLN A 30 -7.722 6.135 19.975 1.00 8.18 N ATOM 423 CA GLN A 30 -7.078 5.615 18.771 1.00 9.22 C ATOM 424 C GLN A 30 -7.863 4.522 18.062 1.00 9.90 C ATOM 425 O GLN A 30 -7.929 4.508 16.837 1.00 10.60 O ATOM 426 CB GLN A 30 -5.669 5.117 19.090 1.00 9.04 C ATOM 427 CG GLN A 30 -4.702 6.235 19.427 1.00 8.84 C ATOM 428 CD GLN A 30 -3.383 5.740 19.975 1.00 10.57 C ATOM 429 OE1 GLN A 30 -3.103 4.455 19.793 1.00 11.76 O flip ATOM 430 NE2 GLN A 30 -2.619 6.508 20.553 1.00 10.26 N flip ATOM 0 H GLN A 30 -7.127 6.142 20.803 1.00 8.18 H new ATOM 0 HA GLN A 30 -7.036 6.456 18.079 1.00 9.22 H new ATOM 0 HB2 GLN A 30 -5.717 4.422 19.929 1.00 9.04 H new ATOM 0 HB3 GLN A 30 -5.286 4.559 18.236 1.00 9.04 H new ATOM 0 HG2 GLN A 30 -4.516 6.827 18.531 1.00 8.84 H new ATOM 0 HG3 GLN A 30 -5.165 6.899 20.157 1.00 8.84 H new ATOM 0 HE21 GLN A 30 -2.874 7.488 20.671 1.00 10.26 H new ATOM 0 HE22 GLN A 30 -1.729 6.166 20.915 1.00 10.26 H new ATOM 439 N SER A 31 -8.469 3.619 18.828 1.00 11.06 N ATOM 440 CA SER A 31 -9.243 2.521 18.247 1.00 11.65 C ATOM 441 C SER A 31 -10.400 2.997 17.366 1.00 11.21 C ATOM 442 O SER A 31 -10.771 2.327 16.403 1.00 11.52 O ATOM 443 CB SER A 31 -9.775 1.604 19.357 1.00 11.88 C ATOM 444 OG SER A 31 -10.631 2.304 20.237 1.00 13.97 O ATOM 0 H SER A 31 -8.441 3.624 19.848 1.00 11.06 H new ATOM 0 HA SER A 31 -8.561 1.970 17.600 1.00 11.65 H new ATOM 0 HB2 SER A 31 -10.313 0.767 18.913 1.00 11.88 H new ATOM 0 HB3 SER A 31 -8.939 1.185 19.917 1.00 11.88 H new ATOM 0 HG SER A 31 -10.955 1.694 20.932 1.00 13.97 H new ATOM 450 N ALA A 32 -10.974 4.148 17.699 1.00 10.88 N ATOM 451 CA ALA A 32 -12.078 4.698 16.924 1.00 11.14 C ATOM 452 C ALA A 32 -11.588 5.127 15.539 1.00 11.26 C ATOM 453 O ALA A 32 -12.388 5.334 14.626 1.00 13.19 O ATOM 454 CB ALA A 32 -12.693 5.893 17.661 1.00 10.72 C ATOM 0 H ALA A 32 -10.693 4.716 18.498 1.00 10.88 H new ATOM 0 HA ALA A 32 -12.841 3.929 16.802 1.00 11.14 H new ATOM 0 HB1 ALA A 32 -13.517 6.297 17.074 1.00 10.72 H new ATOM 0 HB2 ALA A 32 -13.064 5.569 18.633 1.00 10.72 H new ATOM 0 HB3 ALA A 32 -11.935 6.664 17.801 1.00 10.72 H new ATOM 460 N TRP A 33 -10.272 5.248 15.393 1.00 10.04 N ATOM 461 CA TRP A 33 -9.657 5.667 14.134 1.00 10.77 C ATOM 462 C TRP A 33 -8.937 4.531 13.416 1.00 9.99 C ATOM 463 O TRP A 33 -8.183 4.768 12.475 1.00 9.72 O ATOM 464 CB TRP A 33 -8.672 6.814 14.406 1.00 11.69 C ATOM 465 CG TRP A 33 -9.379 8.060 14.852 1.00 12.54 C ATOM 466 CD1 TRP A 33 -9.708 8.405 16.135 1.00 13.06 C ATOM 467 CD2 TRP A 33 -9.944 9.070 14.007 1.00 13.39 C ATOM 468 NE1 TRP A 33 -10.452 9.563 16.139 1.00 12.21 N ATOM 469 CE2 TRP A 33 -10.612 9.993 14.847 1.00 13.61 C ATOM 470 CE3 TRP A 33 -9.956 9.282 12.620 1.00 14.00 C ATOM 471 CZ2 TRP A 33 -11.286 11.115 14.344 1.00 14.24 C ATOM 472 CZ3 TRP A 33 -10.630 10.397 12.119 1.00 15.34 C ATOM 473 CH2 TRP A 33 -11.286 11.299 12.983 1.00 14.26 C ATOM 0 H TRP A 33 -9.603 5.060 16.139 1.00 10.04 H new ATOM 0 HA TRP A 33 -10.461 5.998 13.476 1.00 10.77 H new ATOM 0 HB2 TRP A 33 -7.959 6.507 15.171 1.00 11.69 H new ATOM 0 HB3 TRP A 33 -8.100 7.024 13.502 1.00 11.69 H new ATOM 0 HD1 TRP A 33 -9.425 7.849 17.017 1.00 13.06 H new ATOM 0 HE1 TRP A 33 -10.824 10.026 16.968 1.00 12.21 H new ATOM 0 HE3 TRP A 33 -9.454 8.596 11.954 1.00 14.00 H new ATOM 0 HZ2 TRP A 33 -11.787 11.809 15.003 1.00 14.24 H new ATOM 0 HZ3 TRP A 33 -10.650 10.572 11.053 1.00 15.34 H new ATOM 0 HH2 TRP A 33 -11.799 12.152 12.565 1.00 14.26 H new ATOM 484 N ALA A 34 -9.182 3.302 13.868 1.00 10.76 N ATOM 485 CA ALA A 34 -8.556 2.108 13.302 1.00 10.16 C ATOM 486 C ALA A 34 -8.684 1.984 11.785 1.00 9.33 C ATOM 487 O ALA A 34 -7.780 1.476 11.124 1.00 10.14 O ATOM 488 CB ALA A 34 -9.130 0.860 13.972 1.00 10.05 C ATOM 0 H ALA A 34 -9.821 3.106 14.638 1.00 10.76 H new ATOM 0 HA ALA A 34 -7.489 2.206 13.504 1.00 10.16 H new ATOM 0 HB1 ALA A 34 -8.662 -0.028 13.548 1.00 10.05 H new ATOM 0 HB2 ALA A 34 -8.932 0.899 15.043 1.00 10.05 H new ATOM 0 HB3 ALA A 34 -10.206 0.819 13.803 1.00 10.05 H new ATOM 494 N ALA A 35 -9.803 2.442 11.231 1.00 9.29 N ATOM 495 CA ALA A 35 -10.015 2.356 9.789 1.00 10.10 C ATOM 496 C ALA A 35 -8.923 3.074 9.001 1.00 10.22 C ATOM 497 O ALA A 35 -8.571 2.658 7.899 1.00 10.32 O ATOM 498 CB ALA A 35 -11.380 2.932 9.429 1.00 10.51 C ATOM 0 H ALA A 35 -10.568 2.871 11.751 1.00 9.29 H new ATOM 0 HA ALA A 35 -9.975 1.302 9.516 1.00 10.10 H new ATOM 0 HB1 ALA A 35 -11.531 2.864 8.352 1.00 10.51 H new ATOM 0 HB2 ALA A 35 -12.160 2.368 9.941 1.00 10.51 H new ATOM 0 HB3 ALA A 35 -11.427 3.977 9.737 1.00 10.51 H new ATOM 504 N TYR A 36 -8.371 4.138 9.583 1.00 10.16 N ATOM 505 CA TYR A 36 -7.342 4.934 8.919 1.00 9.16 C ATOM 506 C TYR A 36 -5.934 4.363 8.950 1.00 9.25 C ATOM 507 O TYR A 36 -5.060 4.821 8.217 1.00 9.65 O ATOM 508 CB TYR A 36 -7.346 6.353 9.495 1.00 9.23 C ATOM 509 CG TYR A 36 -8.579 7.121 9.101 1.00 9.39 C ATOM 510 CD1 TYR A 36 -9.765 6.990 9.824 1.00 9.50 C ATOM 511 CD2 TYR A 36 -8.583 7.933 7.968 1.00 9.60 C ATOM 512 CE1 TYR A 36 -10.927 7.643 9.426 1.00 10.14 C ATOM 513 CE2 TYR A 36 -9.740 8.589 7.562 1.00 9.55 C ATOM 514 CZ TYR A 36 -10.905 8.439 8.292 1.00 9.42 C ATOM 515 OH TYR A 36 -12.055 9.067 7.883 1.00 11.79 O ATOM 0 H TYR A 36 -8.621 4.468 10.515 1.00 10.16 H new ATOM 0 HA TYR A 36 -7.614 4.927 7.864 1.00 9.16 H new ATOM 0 HB2 TYR A 36 -7.283 6.303 10.582 1.00 9.23 H new ATOM 0 HB3 TYR A 36 -6.461 6.887 9.149 1.00 9.23 H new ATOM 0 HD1 TYR A 36 -9.781 6.371 10.709 1.00 9.50 H new ATOM 0 HD2 TYR A 36 -7.674 8.054 7.397 1.00 9.60 H new ATOM 0 HE1 TYR A 36 -11.838 7.531 9.995 1.00 10.14 H new ATOM 0 HE2 TYR A 36 -9.729 9.213 6.680 1.00 9.55 H new ATOM 0 HH TYR A 36 -12.078 9.102 6.904 1.00 11.79 H new ATOM 525 N GLU A 37 -5.713 3.368 9.802 1.00 9.47 N ATOM 526 CA GLU A 37 -4.407 2.728 9.908 1.00 10.44 C ATOM 527 C GLU A 37 -3.262 3.729 10.044 1.00 9.52 C ATOM 528 O GLU A 37 -2.273 3.661 9.327 1.00 9.37 O ATOM 529 CB GLU A 37 -4.171 1.826 8.689 1.00 12.88 C ATOM 530 CG GLU A 37 -5.262 0.777 8.504 1.00 17.13 C ATOM 531 CD GLU A 37 -5.080 -0.058 7.249 1.00 20.67 C ATOM 532 OE1 GLU A 37 -3.919 -0.286 6.841 1.00 23.67 O ATOM 533 OE2 GLU A 37 -6.103 -0.489 6.674 1.00 22.10 O ATOM 0 H GLU A 37 -6.421 2.987 10.429 1.00 9.47 H new ATOM 0 HA GLU A 37 -4.416 2.133 10.821 1.00 10.44 H new ATOM 0 HB2 GLU A 37 -4.113 2.444 7.793 1.00 12.88 H new ATOM 0 HB3 GLU A 37 -3.208 1.326 8.795 1.00 12.88 H new ATOM 0 HG2 GLU A 37 -5.275 0.118 9.372 1.00 17.13 H new ATOM 0 HG3 GLU A 37 -6.232 1.273 8.465 1.00 17.13 H new ATOM 540 N PHE A 38 -3.410 4.658 10.976 1.00 9.52 N ATOM 541 CA PHE A 38 -2.385 5.659 11.222 1.00 9.63 C ATOM 542 C PHE A 38 -1.265 5.014 12.037 1.00 8.92 C ATOM 543 O PHE A 38 -1.489 4.020 12.732 1.00 8.88 O ATOM 544 CB PHE A 38 -2.968 6.827 12.042 1.00 8.52 C ATOM 545 CG PHE A 38 -3.782 7.815 11.236 1.00 8.54 C ATOM 546 CD1 PHE A 38 -3.258 8.415 10.093 1.00 9.92 C ATOM 547 CD2 PHE A 38 -5.066 8.165 11.643 1.00 9.35 C ATOM 548 CE1 PHE A 38 -4.010 9.357 9.362 1.00 10.71 C ATOM 549 CE2 PHE A 38 -5.823 9.101 10.921 1.00 9.79 C ATOM 550 CZ PHE A 38 -5.292 9.696 9.780 1.00 9.09 C ATOM 0 H PHE A 38 -4.232 4.739 11.575 1.00 9.52 H new ATOM 0 HA PHE A 38 -2.012 6.035 10.269 1.00 9.63 H new ATOM 0 HB2 PHE A 38 -3.596 6.420 12.835 1.00 8.52 H new ATOM 0 HB3 PHE A 38 -2.149 7.359 12.525 1.00 8.52 H new ATOM 0 HD1 PHE A 38 -2.263 8.155 9.763 1.00 9.92 H new ATOM 0 HD2 PHE A 38 -5.486 7.710 12.528 1.00 9.35 H new ATOM 0 HE1 PHE A 38 -3.591 9.815 8.478 1.00 10.71 H new ATOM 0 HE2 PHE A 38 -6.818 9.360 11.251 1.00 9.79 H new ATOM 0 HZ PHE A 38 -5.872 10.417 9.223 1.00 9.09 H new ATOM 560 N ASP A 39 -0.065 5.579 11.948 1.00 9.02 N ATOM 561 CA ASP A 39 1.060 5.102 12.738 1.00 9.22 C ATOM 562 C ASP A 39 0.961 5.908 14.043 1.00 10.37 C ATOM 563 O ASP A 39 1.195 7.121 14.051 1.00 10.21 O ATOM 564 CB ASP A 39 2.386 5.397 12.029 1.00 10.30 C ATOM 565 CG ASP A 39 3.592 4.941 12.830 1.00 8.70 C ATOM 566 OD1 ASP A 39 3.434 4.644 14.030 1.00 10.25 O ATOM 567 OD2 ASP A 39 4.700 4.884 12.262 1.00 11.11 O ATOM 0 H ASP A 39 0.151 6.367 11.337 1.00 9.02 H new ATOM 0 HA ASP A 39 1.031 4.024 12.900 1.00 9.22 H new ATOM 0 HB2 ASP A 39 2.392 4.902 11.058 1.00 10.30 H new ATOM 0 HB3 ASP A 39 2.463 6.468 11.842 1.00 10.30 H new ATOM 572 N TRP A 40 0.598 5.234 15.133 1.00 9.16 N ATOM 573 CA TRP A 40 0.435 5.884 16.429 1.00 8.89 C ATOM 574 C TRP A 40 1.639 5.721 17.344 1.00 9.61 C ATOM 575 O TRP A 40 1.556 6.003 18.539 1.00 10.91 O ATOM 576 CB TRP A 40 -0.813 5.336 17.130 1.00 9.50 C ATOM 577 CG TRP A 40 -2.115 5.814 16.538 1.00 9.68 C ATOM 578 CD1 TRP A 40 -2.960 5.105 15.727 1.00 9.76 C ATOM 579 CD2 TRP A 40 -2.719 7.100 16.715 1.00 9.01 C ATOM 580 NE1 TRP A 40 -4.051 5.869 15.390 1.00 10.56 N ATOM 581 CE2 TRP A 40 -3.929 7.099 15.982 1.00 11.01 C ATOM 582 CE3 TRP A 40 -2.357 8.253 17.422 1.00 9.40 C ATOM 583 CZ2 TRP A 40 -4.781 8.211 15.936 1.00 11.09 C ATOM 584 CZ3 TRP A 40 -3.205 9.360 17.376 1.00 10.46 C ATOM 585 CH2 TRP A 40 -4.403 9.328 16.637 1.00 10.26 C ATOM 0 H TRP A 40 0.410 4.231 15.142 1.00 9.16 H new ATOM 0 HA TRP A 40 0.331 6.950 16.229 1.00 8.89 H new ATOM 0 HB2 TRP A 40 -0.788 4.247 17.093 1.00 9.50 H new ATOM 0 HB3 TRP A 40 -0.779 5.620 18.182 1.00 9.50 H new ATOM 0 HD1 TRP A 40 -2.793 4.090 15.399 1.00 9.76 H new ATOM 0 HE1 TRP A 40 -4.825 5.570 14.797 1.00 10.56 H new ATOM 0 HE3 TRP A 40 -1.440 8.285 17.991 1.00 9.40 H new ATOM 0 HZ2 TRP A 40 -5.701 8.189 15.370 1.00 11.09 H new ATOM 0 HZ3 TRP A 40 -2.938 10.256 17.916 1.00 10.46 H new ATOM 0 HH2 TRP A 40 -5.038 10.202 16.622 1.00 10.26 H new ATOM 596 N SER A 41 2.758 5.271 16.790 1.00 8.21 N ATOM 597 CA SER A 41 3.964 5.078 17.582 1.00 9.71 C ATOM 598 C SER A 41 4.664 6.410 17.858 1.00 9.71 C ATOM 599 O SER A 41 4.687 7.305 17.006 1.00 9.23 O ATOM 600 CB SER A 41 4.921 4.112 16.872 1.00 9.65 C ATOM 601 OG SER A 41 5.552 4.716 15.757 1.00 11.64 O ATOM 0 H SER A 41 2.855 5.035 15.802 1.00 8.21 H new ATOM 0 HA SER A 41 3.671 4.646 18.539 1.00 9.71 H new ATOM 0 HB2 SER A 41 5.679 3.769 17.576 1.00 9.65 H new ATOM 0 HB3 SER A 41 4.370 3.231 16.544 1.00 9.65 H new ATOM 0 HG SER A 41 4.949 4.687 14.985 1.00 11.64 H new ATOM 607 N THR A 42 5.225 6.533 19.058 1.00 9.66 N ATOM 608 CA THR A 42 5.924 7.748 19.467 1.00 10.16 C ATOM 609 C THR A 42 6.980 7.444 20.529 1.00 10.97 C ATOM 610 O THR A 42 6.840 6.498 21.313 1.00 12.28 O ATOM 611 CB THR A 42 4.932 8.795 20.043 1.00 9.47 C ATOM 612 OG1 THR A 42 5.660 9.930 20.527 1.00 9.15 O ATOM 613 CG2 THR A 42 4.129 8.204 21.192 1.00 8.71 C ATOM 0 H THR A 42 5.209 5.801 19.768 1.00 9.66 H new ATOM 0 HA THR A 42 6.407 8.152 18.577 1.00 10.16 H new ATOM 0 HB THR A 42 4.250 9.093 19.247 1.00 9.47 H new ATOM 0 HG1 THR A 42 6.250 10.266 19.820 1.00 9.15 H new ATOM 0 HG21 THR A 42 3.441 8.955 21.579 1.00 8.71 H new ATOM 0 HG22 THR A 42 3.563 7.343 20.836 1.00 8.71 H new ATOM 0 HG23 THR A 42 4.807 7.889 21.985 1.00 8.71 H new ATOM 621 N ASP A 43 8.045 8.236 20.542 1.00 11.51 N ATOM 622 CA ASP A 43 9.102 8.067 21.531 1.00 12.93 C ATOM 623 C ASP A 43 8.958 9.199 22.547 1.00 11.96 C ATOM 624 O ASP A 43 9.813 9.390 23.407 1.00 11.81 O ATOM 625 CB ASP A 43 10.483 8.152 20.870 1.00 16.82 C ATOM 626 CG ASP A 43 10.620 7.240 19.655 1.00 21.04 C ATOM 627 OD1 ASP A 43 9.771 6.341 19.468 1.00 24.66 O ATOM 628 OD2 ASP A 43 11.585 7.428 18.882 1.00 23.64 O ATOM 0 H ASP A 43 8.199 8.998 19.882 1.00 11.51 H new ATOM 0 HA ASP A 43 9.015 7.090 22.007 1.00 12.93 H new ATOM 0 HB2 ASP A 43 10.672 9.182 20.567 1.00 16.82 H new ATOM 0 HB3 ASP A 43 11.247 7.890 21.602 1.00 16.82 H new ATOM 633 N LEU A 44 7.855 9.934 22.445 1.00 11.42 N ATOM 634 CA LEU A 44 7.615 11.078 23.309 1.00 12.74 C ATOM 635 C LEU A 44 8.812 12.022 23.110 1.00 11.99 C ATOM 636 O LEU A 44 9.271 12.203 21.980 1.00 12.12 O ATOM 637 CB LEU A 44 7.473 10.624 24.765 1.00 12.90 C ATOM 638 CG LEU A 44 6.069 10.213 25.252 1.00 14.58 C ATOM 639 CD1 LEU A 44 5.072 10.169 24.113 1.00 14.49 C ATOM 640 CD2 LEU A 44 6.146 8.860 25.924 1.00 15.77 C ATOM 0 H LEU A 44 7.113 9.754 21.769 1.00 11.42 H new ATOM 0 HA LEU A 44 6.686 11.591 23.061 1.00 12.74 H new ATOM 0 HB2 LEU A 44 8.143 9.778 24.920 1.00 12.90 H new ATOM 0 HB3 LEU A 44 7.827 11.432 25.405 1.00 12.90 H new ATOM 0 HG LEU A 44 5.723 10.963 25.964 1.00 14.58 H new ATOM 0 HD11 LEU A 44 4.095 9.876 24.496 1.00 14.49 H new ATOM 0 HD12 LEU A 44 5.001 11.155 23.654 1.00 14.49 H new ATOM 0 HD13 LEU A 44 5.402 9.445 23.368 1.00 14.49 H new ATOM 0 HD21 LEU A 44 5.154 8.568 26.269 1.00 15.77 H new ATOM 0 HD22 LEU A 44 6.515 8.121 25.213 1.00 15.77 H new ATOM 0 HD23 LEU A 44 6.825 8.915 26.775 1.00 15.77 H new ATOM 652 N CYS A 45 9.332 12.619 24.175 1.00 12.30 N ATOM 653 CA CYS A 45 10.468 13.528 24.010 1.00 11.12 C ATOM 654 C CYS A 45 11.825 12.907 24.342 1.00 12.42 C ATOM 655 O CYS A 45 12.774 13.624 24.649 1.00 12.13 O ATOM 656 CB CYS A 45 10.276 14.783 24.865 1.00 9.98 C ATOM 657 SG CYS A 45 8.731 15.707 24.581 1.00 9.55 S ATOM 0 H CYS A 45 9.002 12.500 25.133 1.00 12.30 H new ATOM 0 HA CYS A 45 10.484 13.775 22.949 1.00 11.12 H new ATOM 0 HB2 CYS A 45 10.317 14.494 25.915 1.00 9.98 H new ATOM 0 HB3 CYS A 45 11.116 15.454 24.686 1.00 9.98 H new ATOM 662 N THR A 46 11.930 11.582 24.262 1.00 13.24 N ATOM 663 CA THR A 46 13.190 10.907 24.580 1.00 14.24 C ATOM 664 C THR A 46 14.332 11.203 23.609 1.00 13.69 C ATOM 665 O THR A 46 15.500 11.051 23.961 1.00 15.21 O ATOM 666 CB THR A 46 13.006 9.366 24.675 1.00 15.30 C ATOM 667 OG1 THR A 46 12.716 8.828 23.379 1.00 19.33 O ATOM 668 CG2 THR A 46 11.875 9.026 25.626 1.00 16.23 C ATOM 0 H THR A 46 11.171 10.960 23.984 1.00 13.24 H new ATOM 0 HA THR A 46 13.473 11.319 25.549 1.00 14.24 H new ATOM 0 HB THR A 46 13.931 8.930 25.052 1.00 15.30 H new ATOM 0 HG1 THR A 46 11.780 9.008 23.152 1.00 19.33 H new ATOM 0 HG21 THR A 46 11.759 7.944 25.681 1.00 16.23 H new ATOM 0 HG22 THR A 46 12.103 9.418 26.617 1.00 16.23 H new ATOM 0 HG23 THR A 46 10.949 9.472 25.264 1.00 16.23 H new ATOM 676 N GLN A 47 14.004 11.623 22.393 1.00 13.36 N ATOM 677 CA GLN A 47 15.032 11.939 21.406 1.00 14.82 C ATOM 678 C GLN A 47 15.192 13.449 21.251 1.00 14.47 C ATOM 679 O GLN A 47 15.792 13.931 20.288 1.00 14.95 O ATOM 680 CB GLN A 47 14.673 11.312 20.059 1.00 17.74 C ATOM 681 CG GLN A 47 13.937 9.988 20.181 1.00 23.87 C ATOM 682 CD GLN A 47 14.752 8.820 19.666 1.00 26.62 C ATOM 683 OE1 GLN A 47 15.166 8.802 18.503 1.00 28.64 O ATOM 684 NE2 GLN A 47 14.987 7.833 20.529 1.00 27.91 N ATOM 0 H GLN A 47 13.046 11.752 22.068 1.00 13.36 H new ATOM 0 HA GLN A 47 15.979 11.527 21.754 1.00 14.82 H new ATOM 0 HB2 GLN A 47 14.055 12.011 19.495 1.00 17.74 H new ATOM 0 HB3 GLN A 47 15.586 11.159 19.484 1.00 17.74 H new ATOM 0 HG2 GLN A 47 13.680 9.814 21.226 1.00 23.87 H new ATOM 0 HG3 GLN A 47 13.000 10.045 19.627 1.00 23.87 H new ATOM 0 HE21 GLN A 47 14.625 7.891 21.481 1.00 27.91 H new ATOM 0 HE22 GLN A 47 15.529 7.019 20.238 1.00 27.91 H new ATOM 693 N ALA A 48 14.649 14.190 22.211 1.00 13.71 N ATOM 694 CA ALA A 48 14.723 15.645 22.194 1.00 13.05 C ATOM 695 C ALA A 48 15.863 16.121 23.090 1.00 12.68 C ATOM 696 O ALA A 48 16.441 15.330 23.838 1.00 12.42 O ATOM 697 CB ALA A 48 13.407 16.230 22.667 1.00 12.77 C ATOM 0 H ALA A 48 14.151 13.804 23.013 1.00 13.71 H new ATOM 0 HA ALA A 48 14.915 15.981 21.175 1.00 13.05 H new ATOM 0 HB1 ALA A 48 13.467 17.318 22.653 1.00 12.77 H new ATOM 0 HB2 ALA A 48 12.605 15.902 22.006 1.00 12.77 H new ATOM 0 HB3 ALA A 48 13.202 15.891 23.683 1.00 12.77 H new ATOM 703 N PRO A 49 16.210 17.421 23.015 1.00 12.93 N ATOM 704 CA PRO A 49 17.292 17.956 23.848 1.00 12.59 C ATOM 705 C PRO A 49 16.894 17.949 25.321 1.00 12.72 C ATOM 706 O PRO A 49 15.763 17.612 25.667 1.00 12.00 O ATOM 707 CB PRO A 49 17.498 19.381 23.316 1.00 12.73 C ATOM 708 CG PRO A 49 16.759 19.432 22.005 1.00 12.88 C ATOM 709 CD PRO A 49 15.634 18.463 22.145 1.00 12.73 C ATOM 0 HA PRO A 49 18.206 17.365 23.794 1.00 12.59 H new ATOM 0 HB2 PRO A 49 17.108 20.121 24.015 1.00 12.73 H new ATOM 0 HB3 PRO A 49 18.557 19.599 23.178 1.00 12.73 H new ATOM 0 HG2 PRO A 49 16.389 20.437 21.802 1.00 12.88 H new ATOM 0 HG3 PRO A 49 17.411 19.159 21.176 1.00 12.88 H new ATOM 0 HD2 PRO A 49 14.755 18.925 22.594 1.00 12.73 H new ATOM 0 HD3 PRO A 49 15.324 18.060 21.181 1.00 12.73 H new ATOM 717 N ASP A 50 17.825 18.327 26.185 1.00 12.62 N ATOM 718 CA ASP A 50 17.555 18.348 27.612 1.00 14.54 C ATOM 719 C ASP A 50 16.395 19.283 27.965 1.00 13.39 C ATOM 720 O ASP A 50 16.118 20.253 27.264 1.00 13.80 O ATOM 721 CB ASP A 50 18.820 18.757 28.374 1.00 18.30 C ATOM 722 CG ASP A 50 19.976 17.786 28.153 1.00 21.56 C ATOM 723 OD1 ASP A 50 19.923 16.660 28.693 1.00 24.26 O ATOM 724 OD2 ASP A 50 20.938 18.146 27.439 1.00 24.32 O ATOM 0 H ASP A 50 18.766 18.621 25.924 1.00 12.62 H new ATOM 0 HA ASP A 50 17.259 17.342 27.909 1.00 14.54 H new ATOM 0 HB2 ASP A 50 19.123 19.755 28.059 1.00 18.30 H new ATOM 0 HB3 ASP A 50 18.596 18.814 29.439 1.00 18.30 H new ATOM 729 N ASN A 51 15.725 18.964 29.064 1.00 13.19 N ATOM 730 CA ASN A 51 14.586 19.721 29.575 1.00 12.52 C ATOM 731 C ASN A 51 14.871 19.848 31.075 1.00 12.89 C ATOM 732 O ASN A 51 14.223 19.205 31.902 1.00 12.74 O ATOM 733 CB ASN A 51 13.308 18.913 29.324 1.00 13.12 C ATOM 734 CG ASN A 51 12.052 19.650 29.723 1.00 11.05 C ATOM 735 OD1 ASN A 51 12.104 20.758 30.248 1.00 12.85 O ATOM 736 ND2 ASN A 51 10.907 19.028 29.478 1.00 11.51 N ATOM 0 H ASN A 51 15.962 18.155 29.639 1.00 13.19 H new ATOM 0 HA ASN A 51 14.452 20.695 29.104 1.00 12.52 H new ATOM 0 HB2 ASN A 51 13.250 18.655 28.266 1.00 13.12 H new ATOM 0 HB3 ASN A 51 13.363 17.976 29.878 1.00 13.12 H new ATOM 0 HD21 ASN A 51 10.023 19.470 29.728 1.00 11.51 H new ATOM 0 HD22 ASN A 51 10.911 18.107 29.040 1.00 11.51 H new ATOM 743 N PRO A 52 15.842 20.701 31.441 1.00 12.78 N ATOM 744 CA PRO A 52 16.242 20.917 32.839 1.00 12.79 C ATOM 745 C PRO A 52 15.158 21.307 33.835 1.00 11.63 C ATOM 746 O PRO A 52 15.233 20.938 35.004 1.00 12.15 O ATOM 747 CB PRO A 52 17.339 21.986 32.745 1.00 13.85 C ATOM 748 CG PRO A 52 17.102 22.656 31.427 1.00 13.86 C ATOM 749 CD PRO A 52 16.596 21.570 30.520 1.00 13.05 C ATOM 0 HA PRO A 52 16.560 19.964 33.263 1.00 12.79 H new ATOM 0 HB2 PRO A 52 17.272 22.697 33.569 1.00 13.85 H new ATOM 0 HB3 PRO A 52 18.332 21.540 32.790 1.00 13.85 H new ATOM 0 HG2 PRO A 52 16.375 23.462 31.520 1.00 13.86 H new ATOM 0 HG3 PRO A 52 18.020 23.098 31.039 1.00 13.86 H new ATOM 0 HD2 PRO A 52 15.961 21.967 29.728 1.00 13.05 H new ATOM 0 HD3 PRO A 52 17.412 21.034 30.036 1.00 13.05 H new ATOM 757 N PHE A 53 14.152 22.047 33.389 1.00 10.57 N ATOM 758 CA PHE A 53 13.099 22.472 34.295 1.00 11.15 C ATOM 759 C PHE A 53 11.885 21.560 34.272 1.00 11.09 C ATOM 760 O PHE A 53 10.927 21.776 35.005 1.00 11.14 O ATOM 761 CB PHE A 53 12.732 23.922 33.987 1.00 14.06 C ATOM 762 CG PHE A 53 13.931 24.824 33.930 1.00 18.12 C ATOM 763 CD1 PHE A 53 14.761 24.962 35.046 1.00 20.63 C ATOM 764 CD2 PHE A 53 14.290 25.459 32.747 1.00 18.66 C ATOM 765 CE1 PHE A 53 15.937 25.713 34.979 1.00 21.07 C ATOM 766 CE2 PHE A 53 15.463 26.212 32.668 1.00 21.08 C ATOM 767 CZ PHE A 53 16.289 26.339 33.785 1.00 21.89 C ATOM 0 H PHE A 53 14.045 22.360 32.424 1.00 10.57 H new ATOM 0 HA PHE A 53 13.481 22.404 35.314 1.00 11.15 H new ATOM 0 HB2 PHE A 53 12.205 23.964 33.034 1.00 14.06 H new ATOM 0 HB3 PHE A 53 12.043 24.288 34.749 1.00 14.06 H new ATOM 0 HD1 PHE A 53 14.489 24.481 35.974 1.00 20.63 H new ATOM 0 HD2 PHE A 53 13.654 25.369 31.879 1.00 18.66 H new ATOM 0 HE1 PHE A 53 16.570 25.808 35.849 1.00 21.07 H new ATOM 0 HE2 PHE A 53 15.731 26.697 31.741 1.00 21.08 H new ATOM 0 HZ PHE A 53 17.197 26.920 33.725 1.00 21.89 H new ATOM 777 N GLY A 54 11.948 20.529 33.433 1.00 11.19 N ATOM 778 CA GLY A 54 10.872 19.559 33.343 1.00 9.95 C ATOM 779 C GLY A 54 9.500 20.014 32.889 1.00 9.32 C ATOM 780 O GLY A 54 8.495 19.608 33.470 1.00 10.38 O ATOM 0 H GLY A 54 12.734 20.348 32.808 1.00 11.19 H new ATOM 0 HA2 GLY A 54 11.197 18.771 32.664 1.00 9.95 H new ATOM 0 HA3 GLY A 54 10.757 19.104 34.327 1.00 9.95 H new ATOM 784 N PHE A 55 9.434 20.854 31.860 1.00 8.42 N ATOM 785 CA PHE A 55 8.140 21.296 31.358 1.00 9.07 C ATOM 786 C PHE A 55 7.494 20.092 30.663 1.00 9.02 C ATOM 787 O PHE A 55 8.181 19.313 29.999 1.00 9.38 O ATOM 788 CB PHE A 55 8.317 22.464 30.377 1.00 9.23 C ATOM 789 CG PHE A 55 8.977 23.670 30.993 1.00 8.67 C ATOM 790 CD1 PHE A 55 8.326 24.403 31.980 1.00 9.73 C ATOM 791 CD2 PHE A 55 10.260 24.052 30.612 1.00 8.55 C ATOM 792 CE1 PHE A 55 8.950 25.501 32.581 1.00 9.34 C ATOM 793 CE2 PHE A 55 10.891 25.145 31.207 1.00 8.94 C ATOM 794 CZ PHE A 55 10.237 25.867 32.190 1.00 8.40 C ATOM 0 H PHE A 55 10.242 21.234 31.368 1.00 8.42 H new ATOM 0 HA PHE A 55 7.507 21.653 32.171 1.00 9.07 H new ATOM 0 HB2 PHE A 55 8.912 22.128 29.528 1.00 9.23 H new ATOM 0 HB3 PHE A 55 7.341 22.753 29.988 1.00 9.23 H new ATOM 0 HD1 PHE A 55 7.329 24.121 32.285 1.00 9.73 H new ATOM 0 HD2 PHE A 55 10.775 23.494 29.844 1.00 8.55 H new ATOM 0 HE1 PHE A 55 8.436 26.064 33.346 1.00 9.34 H new ATOM 0 HE2 PHE A 55 11.888 25.427 30.901 1.00 8.94 H new ATOM 0 HZ PHE A 55 10.723 26.713 32.654 1.00 8.40 H new ATOM 804 N PRO A 56 6.172 19.918 30.826 1.00 9.54 N ATOM 805 CA PRO A 56 5.427 18.801 30.221 1.00 9.07 C ATOM 806 C PRO A 56 5.200 18.937 28.717 1.00 8.85 C ATOM 807 O PRO A 56 4.128 19.370 28.280 1.00 10.29 O ATOM 808 CB PRO A 56 4.110 18.784 30.996 1.00 9.71 C ATOM 809 CG PRO A 56 3.921 20.196 31.454 1.00 9.66 C ATOM 810 CD PRO A 56 5.298 20.793 31.632 1.00 10.32 C ATOM 0 HA PRO A 56 5.989 17.870 30.295 1.00 9.07 H new ATOM 0 HB2 PRO A 56 3.283 18.458 30.365 1.00 9.71 H new ATOM 0 HB3 PRO A 56 4.156 18.096 31.841 1.00 9.71 H new ATOM 0 HG2 PRO A 56 3.346 20.764 30.723 1.00 9.66 H new ATOM 0 HG3 PRO A 56 3.364 20.226 32.390 1.00 9.66 H new ATOM 0 HD2 PRO A 56 5.334 21.825 31.283 1.00 10.32 H new ATOM 0 HD3 PRO A 56 5.598 20.801 32.680 1.00 10.32 H new ATOM 818 N PHE A 57 6.202 18.538 27.939 1.00 8.34 N ATOM 819 CA PHE A 57 6.147 18.632 26.481 1.00 8.84 C ATOM 820 C PHE A 57 5.862 17.298 25.778 1.00 9.06 C ATOM 821 O PHE A 57 5.809 17.245 24.554 1.00 8.02 O ATOM 822 CB PHE A 57 7.479 19.179 25.949 1.00 9.65 C ATOM 823 CG PHE A 57 7.723 20.640 26.252 1.00 10.26 C ATOM 824 CD1 PHE A 57 6.675 21.494 26.597 1.00 10.73 C ATOM 825 CD2 PHE A 57 9.003 21.168 26.141 1.00 11.25 C ATOM 826 CE1 PHE A 57 6.904 22.854 26.821 1.00 10.25 C ATOM 827 CE2 PHE A 57 9.240 22.528 26.364 1.00 12.22 C ATOM 828 CZ PHE A 57 8.188 23.367 26.702 1.00 9.23 C ATOM 0 H PHE A 57 7.071 18.142 28.298 1.00 8.34 H new ATOM 0 HA PHE A 57 5.315 19.300 26.258 1.00 8.84 H new ATOM 0 HB2 PHE A 57 8.294 18.592 26.373 1.00 9.65 H new ATOM 0 HB3 PHE A 57 7.511 19.035 24.869 1.00 9.65 H new ATOM 0 HD1 PHE A 57 5.674 21.099 26.692 1.00 10.73 H new ATOM 0 HD2 PHE A 57 9.826 20.520 25.879 1.00 11.25 H new ATOM 0 HE1 PHE A 57 6.084 23.505 27.086 1.00 10.25 H new ATOM 0 HE2 PHE A 57 10.240 22.925 26.273 1.00 12.22 H new ATOM 0 HZ PHE A 57 8.368 24.418 26.872 1.00 9.23 H new ATOM 838 N ASN A 58 5.685 16.227 26.546 1.00 8.98 N ATOM 839 CA ASN A 58 5.437 14.908 25.969 1.00 8.56 C ATOM 840 C ASN A 58 4.365 14.873 24.886 1.00 8.33 C ATOM 841 O ASN A 58 4.581 14.279 23.836 1.00 8.63 O ATOM 842 CB ASN A 58 5.075 13.909 27.069 1.00 9.35 C ATOM 843 CG ASN A 58 6.291 13.413 27.834 1.00 11.42 C ATOM 844 OD1 ASN A 58 7.469 13.894 27.462 1.00 15.27 O flip ATOM 845 ND2 ASN A 58 6.166 12.600 28.756 1.00 10.26 N flip ATOM 0 H ASN A 58 5.708 16.245 27.566 1.00 8.98 H new ATOM 0 HA ASN A 58 6.371 14.633 25.479 1.00 8.56 H new ATOM 0 HB2 ASN A 58 4.379 14.378 27.765 1.00 9.35 H new ATOM 0 HB3 ASN A 58 4.558 13.058 26.626 1.00 9.35 H new ATOM 0 HD21 ASN A 58 5.240 12.255 29.010 1.00 10.26 H new ATOM 0 HD22 ASN A 58 6.989 12.274 29.263 1.00 10.26 H new ATOM 852 N THR A 59 3.211 15.488 25.134 1.00 8.36 N ATOM 853 CA THR A 59 2.139 15.488 24.138 1.00 9.69 C ATOM 854 C THR A 59 2.503 16.295 22.896 1.00 9.55 C ATOM 855 O THR A 59 2.020 16.006 21.798 1.00 7.92 O ATOM 856 CB THR A 59 0.809 16.044 24.705 1.00 12.06 C ATOM 857 OG1 THR A 59 0.991 17.404 25.120 1.00 16.20 O ATOM 858 CG2 THR A 59 0.336 15.203 25.885 1.00 12.77 C ATOM 0 H THR A 59 2.995 15.984 25.998 1.00 8.36 H new ATOM 0 HA THR A 59 2.006 14.441 23.864 1.00 9.69 H new ATOM 0 HB THR A 59 0.051 16.001 23.922 1.00 12.06 H new ATOM 0 HG1 THR A 59 0.147 17.753 25.476 1.00 16.20 H new ATOM 0 HG21 THR A 59 -0.600 15.609 26.270 1.00 12.77 H new ATOM 0 HG22 THR A 59 0.178 14.175 25.559 1.00 12.77 H new ATOM 0 HG23 THR A 59 1.090 15.223 26.671 1.00 12.77 H new ATOM 866 N ALA A 60 3.344 17.313 23.070 1.00 8.21 N ATOM 867 CA ALA A 60 3.781 18.131 21.948 1.00 7.27 C ATOM 868 C ALA A 60 4.639 17.222 21.089 1.00 7.10 C ATOM 869 O ALA A 60 4.482 17.163 19.871 1.00 6.71 O ATOM 870 CB ALA A 60 4.605 19.322 22.443 1.00 7.60 C ATOM 0 H ALA A 60 3.732 17.587 23.972 1.00 8.21 H new ATOM 0 HA ALA A 60 2.935 18.534 21.392 1.00 7.27 H new ATOM 0 HB1 ALA A 60 4.924 19.923 21.591 1.00 7.60 H new ATOM 0 HB2 ALA A 60 3.997 19.932 23.111 1.00 7.60 H new ATOM 0 HB3 ALA A 60 5.482 18.960 22.980 1.00 7.60 H new ATOM 876 N CYS A 61 5.550 16.505 21.739 1.00 6.64 N ATOM 877 CA CYS A 61 6.428 15.582 21.032 1.00 6.90 C ATOM 878 C CYS A 61 5.644 14.473 20.330 1.00 6.92 C ATOM 879 O CYS A 61 5.962 14.106 19.198 1.00 7.06 O ATOM 880 CB CYS A 61 7.411 14.944 22.001 1.00 7.43 C ATOM 881 SG CYS A 61 8.698 16.077 22.590 1.00 9.11 S ATOM 0 H CYS A 61 5.698 16.545 22.747 1.00 6.64 H new ATOM 0 HA CYS A 61 6.961 16.163 20.279 1.00 6.90 H new ATOM 0 HB2 CYS A 61 6.861 14.556 22.859 1.00 7.43 H new ATOM 0 HB3 CYS A 61 7.885 14.092 21.514 1.00 7.43 H new ATOM 886 N ALA A 62 4.627 13.945 21.009 1.00 6.54 N ATOM 887 CA ALA A 62 3.809 12.871 20.453 1.00 7.21 C ATOM 888 C ALA A 62 3.111 13.282 19.156 1.00 7.85 C ATOM 889 O ALA A 62 3.100 12.521 18.189 1.00 7.40 O ATOM 890 CB ALA A 62 2.780 12.403 21.483 1.00 5.55 C ATOM 0 H ALA A 62 4.351 14.244 21.944 1.00 6.54 H new ATOM 0 HA ALA A 62 4.480 12.047 20.210 1.00 7.21 H new ATOM 0 HB1 ALA A 62 2.176 11.602 21.056 1.00 5.55 H new ATOM 0 HB2 ALA A 62 3.295 12.036 22.371 1.00 5.55 H new ATOM 0 HB3 ALA A 62 2.134 13.237 21.757 1.00 5.55 H new ATOM 896 N ARG A 63 2.531 14.479 19.122 1.00 6.70 N ATOM 897 CA ARG A 63 1.858 14.928 17.907 1.00 6.36 C ATOM 898 C ARG A 63 2.876 15.188 16.795 1.00 6.39 C ATOM 899 O ARG A 63 2.568 15.013 15.617 1.00 7.00 O ATOM 900 CB ARG A 63 1.027 16.195 18.171 1.00 6.68 C ATOM 901 CG ARG A 63 0.223 16.652 16.957 1.00 6.76 C ATOM 902 CD ARG A 63 -0.979 17.507 17.343 1.00 7.53 C ATOM 903 NE ARG A 63 -0.656 18.932 17.433 1.00 8.30 N ATOM 904 CZ ARG A 63 -1.050 19.851 16.552 1.00 8.72 C ATOM 905 NH1 ARG A 63 -1.782 19.503 15.503 1.00 7.06 N ATOM 906 NH2 ARG A 63 -0.736 21.127 16.737 1.00 8.80 N ATOM 0 H ARG A 63 2.512 15.140 19.899 1.00 6.70 H new ATOM 0 HA ARG A 63 1.181 14.136 17.587 1.00 6.36 H new ATOM 0 HB2 ARG A 63 0.345 16.008 19.000 1.00 6.68 H new ATOM 0 HB3 ARG A 63 1.693 17.000 18.481 1.00 6.68 H new ATOM 0 HG2 ARG A 63 0.870 17.221 16.289 1.00 6.76 H new ATOM 0 HG3 ARG A 63 -0.119 15.779 16.402 1.00 6.76 H new ATOM 0 HD2 ARG A 63 -1.771 17.364 16.608 1.00 7.53 H new ATOM 0 HD3 ARG A 63 -1.369 17.166 18.302 1.00 7.53 H new ATOM 0 HE ARG A 63 -0.091 19.243 18.224 1.00 8.30 H new ATOM 0 HH11 ARG A 63 -2.047 18.527 15.367 1.00 7.06 H new ATOM 0 HH12 ARG A 63 -2.081 20.211 14.832 1.00 7.06 H new ATOM 0 HH21 ARG A 63 -0.193 21.405 17.554 1.00 8.80 H new ATOM 0 HH22 ARG A 63 -1.038 21.830 16.062 1.00 8.80 H new ATOM 920 N HIS A 64 4.086 15.596 17.165 1.00 5.72 N ATOM 921 CA HIS A 64 5.136 15.851 16.184 1.00 6.19 C ATOM 922 C HIS A 64 5.559 14.510 15.567 1.00 6.95 C ATOM 923 O HIS A 64 5.782 14.414 14.357 1.00 6.70 O ATOM 924 CB HIS A 64 6.326 16.546 16.859 1.00 7.24 C ATOM 925 CG HIS A 64 7.416 16.955 15.916 1.00 6.65 C ATOM 926 ND1 HIS A 64 8.622 16.291 15.844 1.00 7.06 N ATOM 927 CD2 HIS A 64 7.499 17.978 15.032 1.00 6.72 C ATOM 928 CE1 HIS A 64 9.400 16.887 14.959 1.00 7.74 C ATOM 929 NE2 HIS A 64 8.743 17.913 14.451 1.00 7.09 N ATOM 0 H HIS A 64 4.363 15.757 18.133 1.00 5.72 H new ATOM 0 HA HIS A 64 4.769 16.510 15.397 1.00 6.19 H new ATOM 0 HB2 HIS A 64 5.965 17.430 17.384 1.00 7.24 H new ATOM 0 HB3 HIS A 64 6.744 15.877 17.611 1.00 7.24 H new ATOM 0 HD2 HIS A 64 6.731 18.708 14.823 1.00 6.72 H new ATOM 0 HE1 HIS A 64 10.403 16.586 14.696 1.00 7.74 H new ATOM 0 HE2 HIS A 64 9.100 18.554 13.742 1.00 7.09 H new ATOM 937 N ASP A 65 5.654 13.478 16.402 1.00 6.68 N ATOM 938 CA ASP A 65 6.010 12.139 15.930 1.00 7.33 C ATOM 939 C ASP A 65 4.925 11.658 14.977 1.00 6.06 C ATOM 940 O ASP A 65 5.205 11.085 13.930 1.00 6.53 O ATOM 941 CB ASP A 65 6.105 11.164 17.103 1.00 7.93 C ATOM 942 CG ASP A 65 7.459 11.190 17.772 1.00 9.39 C ATOM 943 OD1 ASP A 65 8.395 11.791 17.212 1.00 11.27 O ATOM 944 OD2 ASP A 65 7.585 10.605 18.866 1.00 10.22 O ATOM 0 H ASP A 65 5.490 13.541 17.407 1.00 6.68 H new ATOM 0 HA ASP A 65 6.977 12.181 15.428 1.00 7.33 H new ATOM 0 HB2 ASP A 65 5.337 11.408 17.837 1.00 7.93 H new ATOM 0 HB3 ASP A 65 5.898 10.154 16.749 1.00 7.93 H new ATOM 949 N PHE A 66 3.676 11.895 15.353 1.00 6.95 N ATOM 950 CA PHE A 66 2.548 11.497 14.529 1.00 8.03 C ATOM 951 C PHE A 66 2.661 12.128 13.143 1.00 8.56 C ATOM 952 O PHE A 66 2.532 11.444 12.123 1.00 7.18 O ATOM 953 CB PHE A 66 1.243 11.928 15.201 1.00 7.72 C ATOM 954 CG PHE A 66 0.004 11.506 14.460 1.00 8.38 C ATOM 955 CD1 PHE A 66 -0.594 10.277 14.723 1.00 8.28 C ATOM 956 CD2 PHE A 66 -0.589 12.354 13.527 1.00 7.83 C ATOM 957 CE1 PHE A 66 -1.764 9.901 14.075 1.00 8.73 C ATOM 958 CE2 PHE A 66 -1.758 11.986 12.873 1.00 8.59 C ATOM 959 CZ PHE A 66 -2.349 10.758 13.148 1.00 9.30 C ATOM 0 H PHE A 66 3.420 12.361 16.224 1.00 6.95 H new ATOM 0 HA PHE A 66 2.551 10.413 14.418 1.00 8.03 H new ATOM 0 HB2 PHE A 66 1.211 11.512 16.208 1.00 7.72 H new ATOM 0 HB3 PHE A 66 1.240 13.013 15.304 1.00 7.72 H new ATOM 0 HD1 PHE A 66 -0.143 9.607 15.440 1.00 8.28 H new ATOM 0 HD2 PHE A 66 -0.134 13.309 13.310 1.00 7.83 H new ATOM 0 HE1 PHE A 66 -2.219 8.945 14.290 1.00 8.73 H new ATOM 0 HE2 PHE A 66 -2.207 12.653 12.152 1.00 8.59 H new ATOM 0 HZ PHE A 66 -3.260 10.470 12.644 1.00 9.30 H new ATOM 969 N GLY A 67 2.896 13.439 13.111 1.00 7.86 N ATOM 970 CA GLY A 67 3.025 14.137 11.843 1.00 7.34 C ATOM 971 C GLY A 67 4.160 13.610 10.978 1.00 7.46 C ATOM 972 O GLY A 67 3.967 13.334 9.793 1.00 7.58 O ATOM 0 H GLY A 67 2.999 14.028 13.938 1.00 7.86 H new ATOM 0 HA2 GLY A 67 2.088 14.052 11.292 1.00 7.34 H new ATOM 0 HA3 GLY A 67 3.186 15.198 12.035 1.00 7.34 H new ATOM 976 N TYR A 68 5.346 13.471 11.564 1.00 7.73 N ATOM 977 CA TYR A 68 6.514 12.977 10.839 1.00 8.68 C ATOM 978 C TYR A 68 6.299 11.577 10.274 1.00 9.25 C ATOM 979 O TYR A 68 6.437 11.356 9.075 1.00 10.28 O ATOM 980 CB TYR A 68 7.740 12.939 11.752 1.00 9.57 C ATOM 981 CG TYR A 68 8.623 14.165 11.683 1.00 9.46 C ATOM 982 CD1 TYR A 68 8.081 15.435 11.478 1.00 11.15 C ATOM 983 CD2 TYR A 68 9.998 14.059 11.863 1.00 11.78 C ATOM 984 CE1 TYR A 68 8.894 16.569 11.461 1.00 10.39 C ATOM 985 CE2 TYR A 68 10.817 15.183 11.848 1.00 12.64 C ATOM 986 CZ TYR A 68 10.256 16.435 11.648 1.00 10.18 C ATOM 987 OH TYR A 68 11.069 17.543 11.659 1.00 9.81 O ATOM 0 H TYR A 68 5.524 13.694 12.543 1.00 7.73 H new ATOM 0 HA TYR A 68 6.673 13.669 10.012 1.00 8.68 H new ATOM 0 HB2 TYR A 68 7.405 12.808 12.781 1.00 9.57 H new ATOM 0 HB3 TYR A 68 8.338 12.064 11.497 1.00 9.57 H new ATOM 0 HD1 TYR A 68 7.016 15.541 11.330 1.00 11.15 H new ATOM 0 HD2 TYR A 68 10.438 13.085 12.017 1.00 11.78 H new ATOM 0 HE1 TYR A 68 8.461 17.546 11.303 1.00 10.39 H new ATOM 0 HE2 TYR A 68 11.883 15.081 11.991 1.00 12.64 H new ATOM 0 HH TYR A 68 10.600 18.288 12.090 1.00 9.81 H new ATOM 997 N ARG A 69 5.965 10.640 11.155 1.00 9.09 N ATOM 998 CA ARG A 69 5.756 9.250 10.771 1.00 8.69 C ATOM 999 C ARG A 69 4.669 9.016 9.726 1.00 7.77 C ATOM 1000 O ARG A 69 4.850 8.227 8.803 1.00 7.27 O ATOM 1001 CB ARG A 69 5.465 8.415 12.022 1.00 8.52 C ATOM 1002 CG ARG A 69 6.730 8.101 12.791 1.00 10.85 C ATOM 1003 CD ARG A 69 6.493 7.913 14.269 1.00 11.98 C ATOM 1004 NE ARG A 69 7.707 8.225 15.016 1.00 13.57 N ATOM 1005 CZ ARG A 69 8.193 7.482 16.005 1.00 14.17 C ATOM 1006 NH1 ARG A 69 7.563 6.373 16.372 1.00 16.44 N ATOM 1007 NH2 ARG A 69 9.312 7.839 16.619 1.00 14.98 N ATOM 0 H ARG A 69 5.832 10.822 12.150 1.00 9.09 H new ATOM 0 HA ARG A 69 6.682 8.938 10.289 1.00 8.69 H new ATOM 0 HB2 ARG A 69 4.771 8.955 12.667 1.00 8.52 H new ATOM 0 HB3 ARG A 69 4.974 7.486 11.733 1.00 8.52 H new ATOM 0 HG2 ARG A 69 7.181 7.196 12.383 1.00 10.85 H new ATOM 0 HG3 ARG A 69 7.447 8.908 12.644 1.00 10.85 H new ATOM 0 HD2 ARG A 69 5.678 8.557 14.599 1.00 11.98 H new ATOM 0 HD3 ARG A 69 6.188 6.886 14.468 1.00 11.98 H new ATOM 0 HE ARG A 69 8.217 9.071 14.762 1.00 13.57 H new ATOM 0 HH11 ARG A 69 6.706 6.091 15.895 1.00 16.44 H new ATOM 0 HH12 ARG A 69 7.935 5.802 17.131 1.00 16.44 H new ATOM 0 HH21 ARG A 69 9.803 8.686 16.333 1.00 14.98 H new ATOM 0 HH22 ARG A 69 9.682 7.267 17.378 1.00 14.98 H new ATOM 1021 N ASN A 70 3.543 9.699 9.859 1.00 7.88 N ATOM 1022 CA ASN A 70 2.465 9.501 8.913 1.00 8.50 C ATOM 1023 C ASN A 70 2.675 10.203 7.579 1.00 9.29 C ATOM 1024 O ASN A 70 2.199 9.731 6.546 1.00 8.68 O ATOM 1025 CB ASN A 70 1.142 9.898 9.559 1.00 8.13 C ATOM 1026 CG ASN A 70 0.666 8.857 10.561 1.00 9.20 C ATOM 1027 OD1 ASN A 70 0.194 7.784 10.180 1.00 10.69 O ATOM 1028 ND2 ASN A 70 0.800 9.160 11.843 1.00 8.74 N ATOM 0 H ASN A 70 3.357 10.379 10.596 1.00 7.88 H new ATOM 0 HA ASN A 70 2.447 8.440 8.665 1.00 8.50 H new ATOM 0 HB2 ASN A 70 1.257 10.859 10.060 1.00 8.13 H new ATOM 0 HB3 ASN A 70 0.385 10.030 8.786 1.00 8.13 H new ATOM 0 HD21 ASN A 70 0.508 8.494 12.558 1.00 8.74 H new ATOM 0 HD22 ASN A 70 1.196 10.060 12.116 1.00 8.74 H new ATOM 1035 N TYR A 71 3.395 11.321 7.577 1.00 9.33 N ATOM 1036 CA TYR A 71 3.637 11.988 6.306 1.00 10.16 C ATOM 1037 C TYR A 71 4.757 11.260 5.577 1.00 10.18 C ATOM 1038 O TYR A 71 4.827 11.276 4.351 1.00 11.10 O ATOM 1039 CB TYR A 71 3.958 13.471 6.512 1.00 9.81 C ATOM 1040 CG TYR A 71 2.707 14.303 6.407 1.00 9.03 C ATOM 1041 CD1 TYR A 71 2.117 14.546 5.169 1.00 10.73 C ATOM 1042 CD2 TYR A 71 2.069 14.785 7.545 1.00 9.12 C ATOM 1043 CE1 TYR A 71 0.922 15.243 5.065 1.00 10.53 C ATOM 1044 CE2 TYR A 71 0.869 15.485 7.456 1.00 8.83 C ATOM 1045 CZ TYR A 71 0.299 15.709 6.212 1.00 10.17 C ATOM 1046 OH TYR A 71 -0.900 16.373 6.113 1.00 10.43 O ATOM 0 H TYR A 71 3.803 11.766 8.399 1.00 9.33 H new ATOM 0 HA TYR A 71 2.735 11.951 5.694 1.00 10.16 H new ATOM 0 HB2 TYR A 71 4.417 13.617 7.490 1.00 9.81 H new ATOM 0 HB3 TYR A 71 4.683 13.799 5.767 1.00 9.81 H new ATOM 0 HD1 TYR A 71 2.599 14.185 4.273 1.00 10.73 H new ATOM 0 HD2 TYR A 71 2.512 14.613 8.515 1.00 9.12 H new ATOM 0 HE1 TYR A 71 0.480 15.421 4.096 1.00 10.53 H new ATOM 0 HE2 TYR A 71 0.385 15.851 8.350 1.00 8.83 H new ATOM 0 HH TYR A 71 -1.626 15.723 6.009 1.00 10.43 H new ATOM 1056 N LYS A 72 5.627 10.602 6.333 1.00 10.02 N ATOM 1057 CA LYS A 72 6.694 9.839 5.709 1.00 11.02 C ATOM 1058 C LYS A 72 6.052 8.597 5.086 1.00 11.64 C ATOM 1059 O LYS A 72 6.455 8.160 4.010 1.00 13.41 O ATOM 1060 CB LYS A 72 7.748 9.437 6.740 1.00 12.07 C ATOM 1061 CG LYS A 72 8.913 10.419 6.841 1.00 14.15 C ATOM 1062 CD LYS A 72 9.985 9.930 7.813 1.00 17.66 C ATOM 1063 CE LYS A 72 10.747 11.090 8.446 1.00 20.04 C ATOM 1064 NZ LYS A 72 12.180 11.138 8.019 1.00 24.30 N ATOM 0 H LYS A 72 5.616 10.581 7.353 1.00 10.02 H new ATOM 0 HA LYS A 72 7.199 10.437 4.950 1.00 11.02 H new ATOM 0 HB2 LYS A 72 7.273 9.349 7.717 1.00 12.07 H new ATOM 0 HB3 LYS A 72 8.136 8.451 6.484 1.00 12.07 H new ATOM 0 HG2 LYS A 72 9.355 10.562 5.855 1.00 14.15 H new ATOM 0 HG3 LYS A 72 8.542 11.390 7.168 1.00 14.15 H new ATOM 0 HD2 LYS A 72 9.520 9.330 8.596 1.00 17.66 H new ATOM 0 HD3 LYS A 72 10.684 9.280 7.286 1.00 17.66 H new ATOM 0 HE2 LYS A 72 10.261 12.028 8.179 1.00 20.04 H new ATOM 0 HE3 LYS A 72 10.698 11.003 9.531 1.00 20.04 H new ATOM 0 HZ1 LYS A 72 12.652 11.944 8.477 1.00 24.30 H new ATOM 0 HZ2 LYS A 72 12.655 10.255 8.296 1.00 24.30 H new ATOM 0 HZ3 LYS A 72 12.231 11.249 6.986 1.00 24.30 H new ATOM 1078 N ALA A 73 5.039 8.049 5.756 1.00 11.11 N ATOM 1079 CA ALA A 73 4.335 6.863 5.270 1.00 12.05 C ATOM 1080 C ALA A 73 3.543 7.171 4.002 1.00 13.44 C ATOM 1081 O ALA A 73 3.299 6.282 3.180 1.00 13.46 O ATOM 1082 CB ALA A 73 3.395 6.320 6.352 1.00 12.18 C ATOM 0 H ALA A 73 4.686 8.410 6.642 1.00 11.11 H new ATOM 0 HA ALA A 73 5.083 6.106 5.032 1.00 12.05 H new ATOM 0 HB1 ALA A 73 2.878 5.437 5.975 1.00 12.18 H new ATOM 0 HB2 ALA A 73 3.974 6.052 7.236 1.00 12.18 H new ATOM 0 HB3 ALA A 73 2.664 7.084 6.615 1.00 12.18 H new ATOM 1088 N ALA A 74 3.136 8.427 3.848 1.00 11.77 N ATOM 1089 CA ALA A 74 2.378 8.842 2.676 1.00 12.70 C ATOM 1090 C ALA A 74 3.311 9.278 1.548 1.00 12.52 C ATOM 1091 O ALA A 74 2.865 9.556 0.436 1.00 13.96 O ATOM 1092 CB ALA A 74 1.420 9.978 3.043 1.00 12.16 C ATOM 0 H ALA A 74 3.319 9.173 4.519 1.00 11.77 H new ATOM 0 HA ALA A 74 1.797 7.989 2.324 1.00 12.70 H new ATOM 0 HB1 ALA A 74 0.858 10.280 2.159 1.00 12.16 H new ATOM 0 HB2 ALA A 74 0.728 9.636 3.813 1.00 12.16 H new ATOM 0 HB3 ALA A 74 1.990 10.828 3.419 1.00 12.16 H new ATOM 1098 N GLY A 75 4.607 9.330 1.838 1.00 12.14 N ATOM 1099 CA GLY A 75 5.575 9.725 0.831 1.00 13.81 C ATOM 1100 C GLY A 75 5.519 11.194 0.453 1.00 14.13 C ATOM 1101 O GLY A 75 5.863 11.561 -0.672 1.00 14.75 O ATOM 0 H GLY A 75 5.004 9.106 2.751 1.00 12.14 H new ATOM 0 HA2 GLY A 75 6.576 9.494 1.195 1.00 13.81 H new ATOM 0 HA3 GLY A 75 5.415 9.125 -0.065 1.00 13.81 H new ATOM 1105 N SER A 76 5.089 12.034 1.394 1.00 14.84 N ATOM 1106 CA SER A 76 4.991 13.479 1.175 1.00 16.13 C ATOM 1107 C SER A 76 5.517 14.224 2.405 1.00 15.36 C ATOM 1108 O SER A 76 4.884 15.158 2.896 1.00 16.58 O ATOM 1109 CB SER A 76 3.532 13.878 0.915 1.00 17.09 C ATOM 1110 OG SER A 76 2.694 13.527 2.008 1.00 19.02 O ATOM 0 H SER A 76 4.800 11.735 2.325 1.00 14.84 H new ATOM 0 HA SER A 76 5.591 13.746 0.305 1.00 16.13 H new ATOM 0 HB2 SER A 76 3.473 14.952 0.740 1.00 17.09 H new ATOM 0 HB3 SER A 76 3.175 13.388 0.009 1.00 17.09 H new ATOM 0 HG SER A 76 1.772 13.796 1.813 1.00 19.02 H new ATOM 1116 N PHE A 77 6.683 13.812 2.887 1.00 14.07 N ATOM 1117 CA PHE A 77 7.288 14.411 4.076 1.00 14.59 C ATOM 1118 C PHE A 77 7.938 15.790 3.892 1.00 14.55 C ATOM 1119 O PHE A 77 7.634 16.720 4.637 1.00 13.20 O ATOM 1120 CB PHE A 77 8.319 13.441 4.669 1.00 14.50 C ATOM 1121 CG PHE A 77 9.091 14.006 5.830 1.00 14.18 C ATOM 1122 CD1 PHE A 77 8.476 14.190 7.067 1.00 13.95 C ATOM 1123 CD2 PHE A 77 10.432 14.354 5.687 1.00 14.16 C ATOM 1124 CE1 PHE A 77 9.185 14.712 8.148 1.00 13.19 C ATOM 1125 CE2 PHE A 77 11.151 14.877 6.763 1.00 14.44 C ATOM 1126 CZ PHE A 77 10.524 15.055 7.995 1.00 13.08 C ATOM 0 H PHE A 77 7.234 13.061 2.471 1.00 14.07 H new ATOM 0 HA PHE A 77 6.449 14.588 4.749 1.00 14.59 H new ATOM 0 HB2 PHE A 77 7.807 12.535 4.993 1.00 14.50 H new ATOM 0 HB3 PHE A 77 9.020 13.149 3.887 1.00 14.50 H new ATOM 0 HD1 PHE A 77 7.436 13.925 7.190 1.00 13.95 H new ATOM 0 HD2 PHE A 77 10.921 14.218 4.734 1.00 14.16 H new ATOM 0 HE1 PHE A 77 8.696 14.850 9.101 1.00 13.19 H new ATOM 0 HE2 PHE A 77 12.191 15.143 6.641 1.00 14.44 H new ATOM 0 HZ PHE A 77 11.077 15.459 8.830 1.00 13.08 H new ATOM 1136 N ASP A 78 8.825 15.916 2.909 1.00 15.27 N ATOM 1137 CA ASP A 78 9.538 17.171 2.652 1.00 16.91 C ATOM 1138 C ASP A 78 8.682 18.433 2.555 1.00 15.91 C ATOM 1139 O ASP A 78 9.080 19.493 3.033 1.00 16.38 O ATOM 1140 CB ASP A 78 10.374 17.040 1.378 1.00 19.23 C ATOM 1141 CG ASP A 78 11.467 16.008 1.510 1.00 22.49 C ATOM 1142 OD1 ASP A 78 12.143 15.991 2.559 1.00 25.73 O ATOM 1143 OD2 ASP A 78 11.649 15.211 0.567 1.00 27.40 O ATOM 0 H ASP A 78 9.071 15.159 2.271 1.00 15.27 H new ATOM 0 HA ASP A 78 10.154 17.314 3.540 1.00 16.91 H new ATOM 0 HB2 ASP A 78 9.723 16.771 0.546 1.00 19.23 H new ATOM 0 HB3 ASP A 78 10.818 18.006 1.137 1.00 19.23 H new ATOM 1148 N ALA A 79 7.510 18.317 1.943 1.00 15.36 N ATOM 1149 CA ALA A 79 6.619 19.460 1.764 1.00 14.60 C ATOM 1150 C ALA A 79 5.782 19.811 2.992 1.00 13.63 C ATOM 1151 O ALA A 79 5.206 20.898 3.060 1.00 14.16 O ATOM 1152 CB ALA A 79 5.703 19.206 0.578 1.00 15.50 C ATOM 0 H ALA A 79 7.152 17.441 1.561 1.00 15.36 H new ATOM 0 HA ALA A 79 7.265 20.320 1.589 1.00 14.60 H new ATOM 0 HB1 ALA A 79 5.037 20.059 0.443 1.00 15.50 H new ATOM 0 HB2 ALA A 79 6.303 19.068 -0.322 1.00 15.50 H new ATOM 0 HB3 ALA A 79 5.111 18.309 0.761 1.00 15.50 H new ATOM 1158 N ASN A 80 5.717 18.897 3.958 1.00 11.84 N ATOM 1159 CA ASN A 80 4.928 19.120 5.163 1.00 10.42 C ATOM 1160 C ASN A 80 5.766 19.286 6.427 1.00 8.89 C ATOM 1161 O ASN A 80 5.239 19.662 7.472 1.00 9.35 O ATOM 1162 CB ASN A 80 3.946 17.963 5.353 1.00 10.05 C ATOM 1163 CG ASN A 80 2.856 17.947 4.300 1.00 11.04 C ATOM 1164 OD1 ASN A 80 1.846 18.642 4.423 1.00 11.07 O ATOM 1165 ND2 ASN A 80 3.055 17.148 3.253 1.00 10.56 N ATOM 0 H ASN A 80 6.200 17.999 3.928 1.00 11.84 H new ATOM 0 HA ASN A 80 4.400 20.062 5.015 1.00 10.42 H new ATOM 0 HB2 ASN A 80 4.491 17.020 5.321 1.00 10.05 H new ATOM 0 HB3 ASN A 80 3.491 18.035 6.341 1.00 10.05 H new ATOM 0 HD21 ASN A 80 2.356 17.094 2.512 1.00 10.56 H new ATOM 0 HD22 ASN A 80 3.907 16.590 3.192 1.00 10.56 H new ATOM 1172 N LYS A 81 7.065 19.021 6.321 1.00 8.90 N ATOM 1173 CA LYS A 81 7.971 19.106 7.463 1.00 9.49 C ATOM 1174 C LYS A 81 7.911 20.439 8.204 1.00 9.76 C ATOM 1175 O LYS A 81 7.864 20.470 9.433 1.00 9.49 O ATOM 1176 CB LYS A 81 9.410 18.834 7.017 1.00 9.22 C ATOM 1177 CG LYS A 81 10.386 18.688 8.172 1.00 9.97 C ATOM 1178 CD LYS A 81 11.822 18.673 7.688 1.00 10.44 C ATOM 1179 CE LYS A 81 12.795 18.439 8.833 1.00 11.52 C ATOM 1180 NZ LYS A 81 12.826 19.589 9.782 1.00 9.52 N ATOM 0 H LYS A 81 7.517 18.744 5.449 1.00 8.90 H new ATOM 0 HA LYS A 81 7.636 18.344 8.166 1.00 9.49 H new ATOM 0 HB2 LYS A 81 9.430 17.924 6.418 1.00 9.22 H new ATOM 0 HB3 LYS A 81 9.742 19.648 6.372 1.00 9.22 H new ATOM 0 HG2 LYS A 81 10.246 19.510 8.874 1.00 9.97 H new ATOM 0 HG3 LYS A 81 10.174 17.767 8.714 1.00 9.97 H new ATOM 0 HD2 LYS A 81 11.946 17.891 6.939 1.00 10.44 H new ATOM 0 HD3 LYS A 81 12.053 19.621 7.201 1.00 10.44 H new ATOM 0 HE2 LYS A 81 12.513 17.533 9.370 1.00 11.52 H new ATOM 0 HE3 LYS A 81 13.795 18.273 8.431 1.00 11.52 H new ATOM 0 HZ1 LYS A 81 13.450 19.362 10.583 1.00 9.52 H new ATOM 0 HZ2 LYS A 81 13.185 20.433 9.292 1.00 9.52 H new ATOM 0 HZ3 LYS A 81 11.865 19.775 10.134 1.00 9.52 H new ATOM 1194 N SER A 82 7.903 21.534 7.454 1.00 9.52 N ATOM 1195 CA SER A 82 7.864 22.870 8.041 1.00 11.44 C ATOM 1196 C SER A 82 6.660 23.117 8.951 1.00 9.99 C ATOM 1197 O SER A 82 6.802 23.621 10.070 1.00 9.43 O ATOM 1198 CB SER A 82 7.869 23.923 6.930 1.00 13.48 C ATOM 1199 OG SER A 82 8.683 25.022 7.280 1.00 19.18 O ATOM 0 H SER A 82 7.923 21.524 6.434 1.00 9.52 H new ATOM 0 HA SER A 82 8.753 22.947 8.667 1.00 11.44 H new ATOM 0 HB2 SER A 82 8.231 23.478 6.003 1.00 13.48 H new ATOM 0 HB3 SER A 82 6.851 24.265 6.743 1.00 13.48 H new ATOM 0 HG SER A 82 8.672 25.681 6.555 1.00 19.18 H new ATOM 1205 N ARG A 83 5.474 22.787 8.456 1.00 9.01 N ATOM 1206 CA ARG A 83 4.254 22.986 9.222 1.00 8.91 C ATOM 1207 C ARG A 83 4.246 22.116 10.473 1.00 7.95 C ATOM 1208 O ARG A 83 3.834 22.561 11.544 1.00 7.61 O ATOM 1209 CB ARG A 83 3.036 22.668 8.358 1.00 9.11 C ATOM 1210 CG ARG A 83 1.719 23.014 9.008 1.00 8.64 C ATOM 1211 CD ARG A 83 0.567 22.574 8.137 1.00 11.12 C ATOM 1212 NE ARG A 83 0.362 21.131 8.194 1.00 10.26 N ATOM 1213 CZ ARG A 83 0.641 20.296 7.200 1.00 11.64 C ATOM 1214 NH1 ARG A 83 1.143 20.754 6.062 1.00 10.23 N ATOM 1215 NH2 ARG A 83 0.402 19.000 7.344 1.00 11.27 N ATOM 0 H ARG A 83 5.333 22.382 7.531 1.00 9.01 H new ATOM 0 HA ARG A 83 4.213 24.030 9.532 1.00 8.91 H new ATOM 0 HB2 ARG A 83 3.119 23.211 7.416 1.00 9.11 H new ATOM 0 HB3 ARG A 83 3.042 21.605 8.115 1.00 9.11 H new ATOM 0 HG2 ARG A 83 1.650 22.532 9.983 1.00 8.64 H new ATOM 0 HG3 ARG A 83 1.663 24.089 9.180 1.00 8.64 H new ATOM 0 HD2 ARG A 83 -0.343 23.083 8.455 1.00 11.12 H new ATOM 0 HD3 ARG A 83 0.756 22.873 7.106 1.00 11.12 H new ATOM 0 HE ARG A 83 -0.021 20.738 9.054 1.00 10.26 H new ATOM 0 HH11 ARG A 83 1.317 21.752 5.947 1.00 10.23 H new ATOM 0 HH12 ARG A 83 1.355 20.108 5.302 1.00 10.23 H new ATOM 0 HH21 ARG A 83 0.005 18.648 8.215 1.00 11.27 H new ATOM 0 HH22 ARG A 83 0.615 18.355 6.583 1.00 11.27 H new ATOM 1229 N ILE A 84 4.708 20.878 10.331 1.00 8.26 N ATOM 1230 CA ILE A 84 4.755 19.945 11.457 1.00 8.06 C ATOM 1231 C ILE A 84 5.700 20.472 12.534 1.00 6.91 C ATOM 1232 O ILE A 84 5.395 20.405 13.723 1.00 7.08 O ATOM 1233 CB ILE A 84 5.229 18.539 11.001 1.00 10.08 C ATOM 1234 CG1 ILE A 84 4.317 18.016 9.887 1.00 11.16 C ATOM 1235 CG2 ILE A 84 5.248 17.574 12.189 1.00 9.53 C ATOM 1236 CD1 ILE A 84 2.849 18.098 10.201 1.00 13.01 C ATOM 0 H ILE A 84 5.055 20.496 9.451 1.00 8.26 H new ATOM 0 HA ILE A 84 3.747 19.858 11.862 1.00 8.06 H new ATOM 0 HB ILE A 84 6.244 18.614 10.610 1.00 10.08 H new ATOM 0 HG12 ILE A 84 4.514 18.582 8.976 1.00 11.16 H new ATOM 0 HG13 ILE A 84 4.575 16.978 9.679 1.00 11.16 H new ATOM 0 HG21 ILE A 84 5.582 16.592 11.855 1.00 9.53 H new ATOM 0 HG22 ILE A 84 5.930 17.949 12.952 1.00 9.53 H new ATOM 0 HG23 ILE A 84 4.245 17.493 12.608 1.00 9.53 H new ATOM 0 HD11 ILE A 84 2.275 17.708 9.361 1.00 13.01 H new ATOM 0 HD12 ILE A 84 2.634 17.508 11.092 1.00 13.01 H new ATOM 0 HD13 ILE A 84 2.572 19.137 10.378 1.00 13.01 H new ATOM 1248 N ASP A 85 6.843 21.001 12.108 1.00 6.19 N ATOM 1249 CA ASP A 85 7.812 21.560 13.041 1.00 6.89 C ATOM 1250 C ASP A 85 7.210 22.779 13.732 1.00 7.11 C ATOM 1251 O ASP A 85 7.374 22.958 14.935 1.00 6.58 O ATOM 1252 CB ASP A 85 9.093 21.960 12.308 1.00 7.55 C ATOM 1253 CG ASP A 85 9.941 20.761 11.911 1.00 7.84 C ATOM 1254 OD1 ASP A 85 9.677 19.651 12.421 1.00 8.59 O ATOM 1255 OD2 ASP A 85 10.871 20.928 11.096 1.00 8.86 O ATOM 0 H ASP A 85 7.119 21.054 11.127 1.00 6.19 H new ATOM 0 HA ASP A 85 8.060 20.804 13.786 1.00 6.89 H new ATOM 0 HB2 ASP A 85 8.833 22.528 11.415 1.00 7.55 H new ATOM 0 HB3 ASP A 85 9.681 22.620 12.946 1.00 7.55 H new ATOM 1260 N SER A 86 6.501 23.608 12.968 1.00 6.73 N ATOM 1261 CA SER A 86 5.869 24.803 13.519 1.00 7.50 C ATOM 1262 C SER A 86 4.754 24.470 14.502 1.00 7.22 C ATOM 1263 O SER A 86 4.603 25.150 15.523 1.00 7.43 O ATOM 1264 CB SER A 86 5.304 25.674 12.398 1.00 7.80 C ATOM 1265 OG SER A 86 6.353 26.318 11.703 1.00 11.87 O ATOM 0 H SER A 86 6.351 23.474 11.968 1.00 6.73 H new ATOM 0 HA SER A 86 6.645 25.345 14.059 1.00 7.50 H new ATOM 0 HB2 SER A 86 4.724 25.061 11.708 1.00 7.80 H new ATOM 0 HB3 SER A 86 4.623 26.417 12.813 1.00 7.80 H new ATOM 0 HG SER A 86 6.747 25.696 11.056 1.00 11.87 H new ATOM 1271 N ALA A 87 3.969 23.440 14.188 1.00 5.87 N ATOM 1272 CA ALA A 87 2.871 23.009 15.050 1.00 7.11 C ATOM 1273 C ALA A 87 3.438 22.532 16.390 1.00 7.00 C ATOM 1274 O ALA A 87 2.845 22.754 17.449 1.00 7.65 O ATOM 1275 CB ALA A 87 2.082 21.883 14.373 1.00 7.30 C ATOM 0 H ALA A 87 4.075 22.886 13.338 1.00 5.87 H new ATOM 0 HA ALA A 87 2.195 23.846 15.225 1.00 7.11 H new ATOM 0 HB1 ALA A 87 1.266 21.569 15.023 1.00 7.30 H new ATOM 0 HB2 ALA A 87 1.675 22.241 13.427 1.00 7.30 H new ATOM 0 HB3 ALA A 87 2.743 21.037 14.186 1.00 7.30 H new ATOM 1281 N PHE A 88 4.590 21.872 16.314 1.00 6.61 N ATOM 1282 CA PHE A 88 5.306 21.360 17.476 1.00 6.41 C ATOM 1283 C PHE A 88 5.672 22.550 18.381 1.00 7.24 C ATOM 1284 O PHE A 88 5.447 22.523 19.592 1.00 7.65 O ATOM 1285 CB PHE A 88 6.565 20.642 16.976 1.00 6.30 C ATOM 1286 CG PHE A 88 7.436 20.075 18.058 1.00 5.84 C ATOM 1287 CD1 PHE A 88 6.889 19.540 19.220 1.00 6.93 C ATOM 1288 CD2 PHE A 88 8.819 20.037 17.884 1.00 7.52 C ATOM 1289 CE1 PHE A 88 7.707 18.970 20.196 1.00 7.16 C ATOM 1290 CE2 PHE A 88 9.646 19.469 18.852 1.00 8.84 C ATOM 1291 CZ PHE A 88 9.083 18.933 20.012 1.00 7.28 C ATOM 0 H PHE A 88 5.059 21.675 15.430 1.00 6.61 H new ATOM 0 HA PHE A 88 4.699 20.659 18.048 1.00 6.41 H new ATOM 0 HB2 PHE A 88 6.265 19.834 16.309 1.00 6.30 H new ATOM 0 HB3 PHE A 88 7.154 21.342 16.383 1.00 6.30 H new ATOM 0 HD1 PHE A 88 5.820 19.566 19.368 1.00 6.93 H new ATOM 0 HD2 PHE A 88 9.255 20.453 16.988 1.00 7.52 H new ATOM 0 HE1 PHE A 88 7.270 18.558 21.094 1.00 7.16 H new ATOM 0 HE2 PHE A 88 10.716 19.444 18.706 1.00 8.84 H new ATOM 0 HZ PHE A 88 9.717 18.490 20.766 1.00 7.28 H new ATOM 1301 N TYR A 89 6.219 23.598 17.769 1.00 7.45 N ATOM 1302 CA TYR A 89 6.613 24.808 18.490 1.00 8.05 C ATOM 1303 C TYR A 89 5.391 25.472 19.136 1.00 7.13 C ATOM 1304 O TYR A 89 5.443 25.890 20.294 1.00 6.59 O ATOM 1305 CB TYR A 89 7.307 25.765 17.511 1.00 8.23 C ATOM 1306 CG TYR A 89 7.930 27.001 18.120 1.00 10.84 C ATOM 1307 CD1 TYR A 89 8.362 27.022 19.449 1.00 11.67 C ATOM 1308 CD2 TYR A 89 8.095 28.156 17.354 1.00 13.34 C ATOM 1309 CE1 TYR A 89 8.941 28.165 19.999 1.00 13.67 C ATOM 1310 CE2 TYR A 89 8.672 29.304 17.892 1.00 16.16 C ATOM 1311 CZ TYR A 89 9.091 29.302 19.211 1.00 15.70 C ATOM 1312 OH TYR A 89 9.654 30.441 19.736 1.00 17.48 O ATOM 0 H TYR A 89 6.401 23.634 16.766 1.00 7.45 H new ATOM 0 HA TYR A 89 7.306 24.549 19.291 1.00 8.05 H new ATOM 0 HB2 TYR A 89 8.085 25.212 16.984 1.00 8.23 H new ATOM 0 HB3 TYR A 89 6.578 26.080 16.764 1.00 8.23 H new ATOM 0 HD1 TYR A 89 8.246 26.139 20.060 1.00 11.67 H new ATOM 0 HD2 TYR A 89 7.769 28.160 16.324 1.00 13.34 H new ATOM 0 HE1 TYR A 89 9.270 28.168 21.028 1.00 13.67 H new ATOM 0 HE2 TYR A 89 8.791 30.189 17.284 1.00 16.16 H new ATOM 0 HH TYR A 89 9.683 31.138 19.048 1.00 17.48 H new ATOM 1322 N GLU A 90 4.290 25.556 18.393 1.00 6.73 N ATOM 1323 CA GLU A 90 3.066 26.157 18.915 1.00 7.51 C ATOM 1324 C GLU A 90 2.492 25.338 20.072 1.00 7.63 C ATOM 1325 O GLU A 90 1.970 25.899 21.031 1.00 7.11 O ATOM 1326 CB GLU A 90 2.011 26.282 17.812 1.00 8.96 C ATOM 1327 CG GLU A 90 2.334 27.324 16.744 1.00 11.36 C ATOM 1328 CD GLU A 90 2.524 28.719 17.310 1.00 13.20 C ATOM 1329 OE1 GLU A 90 1.641 29.190 18.056 1.00 13.44 O ATOM 1330 OE2 GLU A 90 3.563 29.341 17.000 1.00 17.91 O ATOM 0 H GLU A 90 4.220 25.218 17.433 1.00 6.73 H new ATOM 0 HA GLU A 90 3.325 27.150 19.283 1.00 7.51 H new ATOM 0 HB2 GLU A 90 1.890 25.312 17.330 1.00 8.96 H new ATOM 0 HB3 GLU A 90 1.054 26.533 18.269 1.00 8.96 H new ATOM 0 HG2 GLU A 90 3.240 27.026 16.217 1.00 11.36 H new ATOM 0 HG3 GLU A 90 1.529 27.343 16.009 1.00 11.36 H new ATOM 1337 N ASP A 91 2.580 24.014 19.982 1.00 7.16 N ATOM 1338 CA ASP A 91 2.063 23.155 21.053 1.00 6.63 C ATOM 1339 C ASP A 91 2.850 23.403 22.336 1.00 5.80 C ATOM 1340 O ASP A 91 2.285 23.453 23.431 1.00 5.93 O ATOM 1341 CB ASP A 91 2.184 21.676 20.670 1.00 6.36 C ATOM 1342 CG ASP A 91 1.101 21.225 19.704 1.00 8.08 C ATOM 1343 OD1 ASP A 91 0.158 22.001 19.424 1.00 7.17 O ATOM 1344 OD2 ASP A 91 1.199 20.076 19.221 1.00 8.19 O ATOM 0 H ASP A 91 2.996 23.516 19.195 1.00 7.16 H new ATOM 0 HA ASP A 91 1.011 23.396 21.207 1.00 6.63 H new ATOM 0 HB2 ASP A 91 3.161 21.501 20.220 1.00 6.36 H new ATOM 0 HB3 ASP A 91 2.135 21.067 21.573 1.00 6.36 H new ATOM 1349 N MET A 92 4.163 23.547 22.196 1.00 6.44 N ATOM 1350 CA MET A 92 5.014 23.792 23.352 1.00 6.57 C ATOM 1351 C MET A 92 4.761 25.187 23.928 1.00 7.45 C ATOM 1352 O MET A 92 4.738 25.365 25.147 1.00 7.46 O ATOM 1353 CB MET A 92 6.479 23.634 22.968 1.00 5.54 C ATOM 1354 CG MET A 92 6.895 22.185 22.750 1.00 6.51 C ATOM 1355 SD MET A 92 8.639 22.013 22.422 1.00 8.41 S ATOM 1356 CE MET A 92 8.724 22.717 20.772 1.00 8.52 C ATOM 0 H MET A 92 4.656 23.499 21.304 1.00 6.44 H new ATOM 0 HA MET A 92 4.770 23.058 24.120 1.00 6.57 H new ATOM 0 HB2 MET A 92 6.671 24.200 22.057 1.00 5.54 H new ATOM 0 HB3 MET A 92 7.101 24.069 23.750 1.00 5.54 H new ATOM 0 HG2 MET A 92 6.636 21.600 23.632 1.00 6.51 H new ATOM 0 HG3 MET A 92 6.330 21.770 21.915 1.00 6.51 H new ATOM 0 HE1 MET A 92 9.635 22.379 20.279 1.00 8.52 H new ATOM 0 HE2 MET A 92 7.858 22.395 20.194 1.00 8.52 H new ATOM 0 HE3 MET A 92 8.731 23.805 20.840 1.00 8.52 H new ATOM 1366 N LYS A 93 4.557 26.171 23.055 1.00 7.53 N ATOM 1367 CA LYS A 93 4.294 27.534 23.516 1.00 8.40 C ATOM 1368 C LYS A 93 2.989 27.603 24.304 1.00 7.92 C ATOM 1369 O LYS A 93 2.863 28.399 25.237 1.00 7.80 O ATOM 1370 CB LYS A 93 4.244 28.502 22.332 1.00 8.35 C ATOM 1371 CG LYS A 93 5.615 29.005 21.898 1.00 9.70 C ATOM 1372 CD LYS A 93 5.593 29.588 20.485 1.00 13.77 C ATOM 1373 CE LYS A 93 4.328 30.389 20.209 1.00 15.85 C ATOM 1374 NZ LYS A 93 4.425 31.157 18.930 1.00 18.19 N ATOM 0 H LYS A 93 4.568 26.055 22.042 1.00 7.53 H new ATOM 0 HA LYS A 93 5.110 27.827 24.176 1.00 8.40 H new ATOM 0 HB2 LYS A 93 3.764 28.006 21.488 1.00 8.35 H new ATOM 0 HB3 LYS A 93 3.620 29.356 22.597 1.00 8.35 H new ATOM 0 HG2 LYS A 93 5.960 29.766 22.598 1.00 9.70 H new ATOM 0 HG3 LYS A 93 6.332 28.185 21.940 1.00 9.70 H new ATOM 0 HD2 LYS A 93 6.464 30.229 20.345 1.00 13.77 H new ATOM 0 HD3 LYS A 93 5.673 28.779 19.759 1.00 13.77 H new ATOM 0 HE2 LYS A 93 3.473 29.714 20.164 1.00 15.85 H new ATOM 0 HE3 LYS A 93 4.147 31.078 21.034 1.00 15.85 H new ATOM 0 HZ1 LYS A 93 3.868 32.032 19.007 1.00 18.19 H new ATOM 0 HZ2 LYS A 93 5.420 31.395 18.743 1.00 18.19 H new ATOM 0 HZ3 LYS A 93 4.055 30.579 18.149 1.00 18.19 H new ATOM 1388 N ARG A 94 2.022 26.764 23.939 1.00 7.14 N ATOM 1389 CA ARG A 94 0.742 26.732 24.640 1.00 8.01 C ATOM 1390 C ARG A 94 0.976 26.290 26.086 1.00 8.99 C ATOM 1391 O ARG A 94 0.324 26.782 27.009 1.00 10.11 O ATOM 1392 CB ARG A 94 -0.237 25.778 23.940 1.00 7.91 C ATOM 1393 CG ARG A 94 -1.174 26.471 22.964 1.00 8.26 C ATOM 1394 CD ARG A 94 -2.237 25.524 22.395 1.00 8.58 C ATOM 1395 NE ARG A 94 -1.740 24.758 21.252 1.00 8.67 N ATOM 1396 CZ ARG A 94 -1.607 25.232 20.018 1.00 9.49 C ATOM 1397 NH1 ARG A 94 -1.934 26.486 19.738 1.00 11.99 N ATOM 1398 NH2 ARG A 94 -1.136 24.450 19.057 1.00 10.57 N ATOM 0 H ARG A 94 2.100 26.102 23.167 1.00 7.14 H new ATOM 0 HA ARG A 94 0.302 27.729 24.630 1.00 8.01 H new ATOM 0 HB2 ARG A 94 0.331 25.016 23.406 1.00 7.91 H new ATOM 0 HB3 ARG A 94 -0.830 25.262 24.695 1.00 7.91 H new ATOM 0 HG2 ARG A 94 -1.666 27.303 23.467 1.00 8.26 H new ATOM 0 HG3 ARG A 94 -0.592 26.893 22.144 1.00 8.26 H new ATOM 0 HD2 ARG A 94 -2.565 24.837 23.176 1.00 8.58 H new ATOM 0 HD3 ARG A 94 -3.110 26.101 22.091 1.00 8.58 H new ATOM 0 HE ARG A 94 -1.476 23.786 21.415 1.00 8.67 H new ATOM 0 HH11 ARG A 94 -2.291 27.096 20.473 1.00 11.99 H new ATOM 0 HH12 ARG A 94 -1.828 26.841 18.787 1.00 11.99 H new ATOM 0 HH21 ARG A 94 -0.876 23.486 19.265 1.00 10.57 H new ATOM 0 HH22 ARG A 94 -1.033 24.812 18.109 1.00 10.57 H new ATOM 1412 N VAL A 95 1.920 25.374 26.280 1.00 8.78 N ATOM 1413 CA VAL A 95 2.253 24.885 27.615 1.00 10.15 C ATOM 1414 C VAL A 95 2.816 26.047 28.431 1.00 10.52 C ATOM 1415 O VAL A 95 2.430 26.271 29.583 1.00 11.73 O ATOM 1416 CB VAL A 95 3.346 23.770 27.558 1.00 10.56 C ATOM 1417 CG1 VAL A 95 3.904 23.496 28.952 1.00 11.22 C ATOM 1418 CG2 VAL A 95 2.768 22.495 26.968 1.00 12.56 C ATOM 0 H VAL A 95 2.469 24.955 25.529 1.00 8.78 H new ATOM 0 HA VAL A 95 1.349 24.474 28.063 1.00 10.15 H new ATOM 0 HB VAL A 95 4.158 24.117 26.920 1.00 10.56 H new ATOM 0 HG11 VAL A 95 4.664 22.717 28.893 1.00 11.22 H new ATOM 0 HG12 VAL A 95 4.349 24.407 29.351 1.00 11.22 H new ATOM 0 HG13 VAL A 95 3.098 23.168 29.608 1.00 11.22 H new ATOM 0 HG21 VAL A 95 3.541 21.727 26.934 1.00 12.56 H new ATOM 0 HG22 VAL A 95 1.940 22.150 27.587 1.00 12.56 H new ATOM 0 HG23 VAL A 95 2.408 22.692 25.958 1.00 12.56 H new ATOM 1428 N CYS A 96 3.731 26.783 27.809 1.00 9.10 N ATOM 1429 CA CYS A 96 4.401 27.911 28.442 1.00 9.46 C ATOM 1430 C CYS A 96 3.520 29.065 28.896 1.00 9.84 C ATOM 1431 O CYS A 96 3.905 29.792 29.812 1.00 9.44 O ATOM 1432 CB CYS A 96 5.486 28.443 27.514 1.00 9.45 C ATOM 1433 SG CYS A 96 6.728 27.189 27.081 1.00 9.35 S ATOM 0 H CYS A 96 4.029 26.613 26.849 1.00 9.10 H new ATOM 0 HA CYS A 96 4.806 27.498 29.366 1.00 9.46 H new ATOM 0 HB2 CYS A 96 5.024 28.819 26.601 1.00 9.45 H new ATOM 0 HB3 CYS A 96 5.982 29.288 27.991 1.00 9.45 H new ATOM 1438 N THR A 97 2.357 29.251 28.270 1.00 10.53 N ATOM 1439 CA THR A 97 1.468 30.344 28.674 1.00 12.50 C ATOM 1440 C THR A 97 0.896 30.117 30.068 1.00 13.53 C ATOM 1441 O THR A 97 0.255 31.005 30.640 1.00 13.87 O ATOM 1442 CB THR A 97 0.281 30.548 27.695 1.00 13.33 C ATOM 1443 OG1 THR A 97 -0.591 29.410 27.735 1.00 13.63 O ATOM 1444 CG2 THR A 97 0.788 30.770 26.285 1.00 13.42 C ATOM 0 H THR A 97 2.014 28.676 27.501 1.00 10.53 H new ATOM 0 HA THR A 97 2.093 31.237 28.664 1.00 12.50 H new ATOM 0 HB THR A 97 -0.277 31.432 28.004 1.00 13.33 H new ATOM 0 HG1 THR A 97 -0.099 28.611 27.453 1.00 13.63 H new ATOM 0 HG21 THR A 97 -0.058 30.911 25.612 1.00 13.42 H new ATOM 0 HG22 THR A 97 1.422 31.656 26.262 1.00 13.42 H new ATOM 0 HG23 THR A 97 1.365 29.902 25.965 1.00 13.42 H new ATOM 1452 N GLY A 98 1.130 28.925 30.612 1.00 12.59 N ATOM 1453 CA GLY A 98 0.638 28.608 31.939 1.00 13.32 C ATOM 1454 C GLY A 98 1.590 29.073 33.023 1.00 12.70 C ATOM 1455 O GLY A 98 1.325 28.886 34.212 1.00 14.38 O ATOM 0 H GLY A 98 1.651 28.175 30.157 1.00 12.59 H new ATOM 0 HA2 GLY A 98 -0.335 29.076 32.086 1.00 13.32 H new ATOM 0 HA3 GLY A 98 0.490 27.531 32.023 1.00 13.32 H new ATOM 1459 N TYR A 99 2.703 29.673 32.609 1.00 11.80 N ATOM 1460 CA TYR A 99 3.715 30.169 33.538 1.00 11.72 C ATOM 1461 C TYR A 99 3.930 31.670 33.364 1.00 10.96 C ATOM 1462 O TYR A 99 3.649 32.224 32.306 1.00 10.61 O ATOM 1463 CB TYR A 99 5.048 29.447 33.306 1.00 13.02 C ATOM 1464 CG TYR A 99 4.950 27.937 33.349 1.00 17.17 C ATOM 1465 CD1 TYR A 99 4.803 27.264 34.563 1.00 19.21 C ATOM 1466 CD2 TYR A 99 5.001 27.178 32.176 1.00 17.02 C ATOM 1467 CE1 TYR A 99 4.706 25.872 34.613 1.00 21.23 C ATOM 1468 CE2 TYR A 99 4.905 25.782 32.215 1.00 19.44 C ATOM 1469 CZ TYR A 99 4.759 25.139 33.436 1.00 20.68 C ATOM 1470 OH TYR A 99 4.672 23.764 33.493 1.00 23.61 O ATOM 0 H TYR A 99 2.928 29.829 31.626 1.00 11.80 H new ATOM 0 HA TYR A 99 3.359 29.975 34.550 1.00 11.72 H new ATOM 0 HB2 TYR A 99 5.447 29.747 32.337 1.00 13.02 H new ATOM 0 HB3 TYR A 99 5.763 29.775 34.061 1.00 13.02 H new ATOM 0 HD1 TYR A 99 4.764 27.831 35.481 1.00 19.21 H new ATOM 0 HD2 TYR A 99 5.116 27.677 31.225 1.00 17.02 H new ATOM 0 HE1 TYR A 99 4.590 25.369 35.562 1.00 21.23 H new ATOM 0 HE2 TYR A 99 4.944 25.209 31.300 1.00 19.44 H new ATOM 0 HH TYR A 99 4.488 23.410 32.598 1.00 23.61 H new ATOM 1480 N THR A 100 4.432 32.318 34.411 1.00 9.99 N ATOM 1481 CA THR A 100 4.707 33.750 34.369 1.00 10.15 C ATOM 1482 C THR A 100 6.143 34.015 34.797 1.00 9.35 C ATOM 1483 O THR A 100 6.822 33.135 35.333 1.00 10.29 O ATOM 1484 CB THR A 100 3.782 34.550 35.316 1.00 10.35 C ATOM 1485 OG1 THR A 100 3.960 34.086 36.660 1.00 11.65 O ATOM 1486 CG2 THR A 100 2.324 34.393 34.912 1.00 10.67 C ATOM 0 H THR A 100 4.657 31.873 35.301 1.00 9.99 H new ATOM 0 HA THR A 100 4.532 34.073 33.343 1.00 10.15 H new ATOM 0 HB THR A 100 4.046 35.605 35.249 1.00 10.35 H new ATOM 0 HG1 THR A 100 3.376 34.593 37.261 1.00 11.65 H new ATOM 0 HG21 THR A 100 1.694 34.965 35.593 1.00 10.67 H new ATOM 0 HG22 THR A 100 2.187 34.761 33.895 1.00 10.67 H new ATOM 0 HG23 THR A 100 2.045 33.340 34.958 1.00 10.67 H new ATOM 1494 N GLY A 101 6.605 35.235 34.555 1.00 9.31 N ATOM 1495 CA GLY A 101 7.953 35.605 34.939 1.00 8.83 C ATOM 1496 C GLY A 101 9.038 34.744 34.331 1.00 9.09 C ATOM 1497 O GLY A 101 8.935 34.302 33.187 1.00 8.84 O ATOM 0 H GLY A 101 6.070 35.975 34.100 1.00 9.31 H new ATOM 0 HA2 GLY A 101 8.127 36.642 34.653 1.00 8.83 H new ATOM 0 HA3 GLY A 101 8.034 35.556 36.025 1.00 8.83 H new ATOM 1501 N GLU A 102 10.085 34.508 35.114 1.00 9.36 N ATOM 1502 CA GLU A 102 11.229 33.715 34.684 1.00 9.24 C ATOM 1503 C GLU A 102 10.834 32.369 34.083 1.00 9.01 C ATOM 1504 O GLU A 102 11.367 31.966 33.051 1.00 8.59 O ATOM 1505 CB GLU A 102 12.171 33.480 35.867 1.00 9.33 C ATOM 1506 CG GLU A 102 13.498 32.850 35.486 1.00 9.76 C ATOM 1507 CD GLU A 102 14.264 32.335 36.689 1.00 9.60 C ATOM 1508 OE1 GLU A 102 13.624 31.932 37.679 1.00 12.40 O ATOM 1509 OE2 GLU A 102 15.509 32.333 36.642 1.00 14.06 O ATOM 0 H GLU A 102 10.164 34.863 36.067 1.00 9.36 H new ATOM 0 HA GLU A 102 11.727 34.286 33.900 1.00 9.24 H new ATOM 0 HB2 GLU A 102 12.362 34.433 36.361 1.00 9.33 H new ATOM 0 HB3 GLU A 102 11.672 32.839 36.594 1.00 9.33 H new ATOM 0 HG2 GLU A 102 13.320 32.027 34.793 1.00 9.76 H new ATOM 0 HG3 GLU A 102 14.107 33.584 34.959 1.00 9.76 H new ATOM 1516 N LYS A 103 9.900 31.681 34.734 1.00 8.90 N ATOM 1517 CA LYS A 103 9.459 30.373 34.266 1.00 10.20 C ATOM 1518 C LYS A 103 8.903 30.431 32.859 1.00 9.10 C ATOM 1519 O LYS A 103 9.135 29.534 32.050 1.00 8.46 O ATOM 1520 CB LYS A 103 8.408 29.800 35.214 1.00 12.62 C ATOM 1521 CG LYS A 103 9.004 29.123 36.435 1.00 18.87 C ATOM 1522 CD LYS A 103 8.286 27.820 36.750 1.00 23.41 C ATOM 1523 CE LYS A 103 9.240 26.806 37.374 1.00 27.23 C ATOM 1524 NZ LYS A 103 10.549 26.742 36.655 1.00 28.89 N ATOM 0 H LYS A 103 9.437 32.006 35.583 1.00 8.90 H new ATOM 0 HA LYS A 103 10.333 29.722 34.251 1.00 10.20 H new ATOM 0 HB2 LYS A 103 7.746 30.603 35.539 1.00 12.62 H new ATOM 0 HB3 LYS A 103 7.794 29.081 34.672 1.00 12.62 H new ATOM 0 HG2 LYS A 103 10.062 28.925 36.264 1.00 18.87 H new ATOM 0 HG3 LYS A 103 8.940 29.793 37.293 1.00 18.87 H new ATOM 0 HD2 LYS A 103 7.458 28.013 37.432 1.00 23.41 H new ATOM 0 HD3 LYS A 103 7.857 27.407 35.837 1.00 23.41 H new ATOM 0 HE2 LYS A 103 9.414 27.068 38.418 1.00 27.23 H new ATOM 0 HE3 LYS A 103 8.775 25.820 37.366 1.00 27.23 H new ATOM 0 HZ1 LYS A 103 10.959 25.793 36.765 1.00 28.89 H new ATOM 0 HZ2 LYS A 103 10.400 26.940 35.645 1.00 28.89 H new ATOM 0 HZ3 LYS A 103 11.199 27.449 37.054 1.00 28.89 H new ATOM 1538 N ASN A 104 8.152 31.484 32.572 1.00 8.52 N ATOM 1539 CA ASN A 104 7.579 31.657 31.250 1.00 8.75 C ATOM 1540 C ASN A 104 8.709 31.811 30.233 1.00 8.12 C ATOM 1541 O ASN A 104 8.689 31.195 29.171 1.00 7.53 O ATOM 1542 CB ASN A 104 6.678 32.894 31.236 1.00 8.69 C ATOM 1543 CG ASN A 104 6.134 33.196 29.864 1.00 9.76 C ATOM 1544 OD1 ASN A 104 6.752 33.929 29.091 1.00 10.57 O ATOM 1545 ND2 ASN A 104 4.971 32.634 29.547 1.00 11.06 N ATOM 0 H ASN A 104 7.927 32.227 33.234 1.00 8.52 H new ATOM 0 HA ASN A 104 6.977 30.786 30.990 1.00 8.75 H new ATOM 0 HB2 ASN A 104 5.849 32.743 31.927 1.00 8.69 H new ATOM 0 HB3 ASN A 104 7.242 33.754 31.597 1.00 8.69 H new ATOM 0 HD21 ASN A 104 4.556 32.804 28.631 1.00 11.06 H new ATOM 0 HD22 ASN A 104 4.495 32.033 30.220 1.00 11.06 H new ATOM 1552 N THR A 105 9.707 32.624 30.567 1.00 7.78 N ATOM 1553 CA THR A 105 10.837 32.854 29.672 1.00 8.79 C ATOM 1554 C THR A 105 11.672 31.588 29.502 1.00 8.54 C ATOM 1555 O THR A 105 12.127 31.285 28.399 1.00 8.34 O ATOM 1556 CB THR A 105 11.734 34.002 30.199 1.00 9.83 C ATOM 1557 OG1 THR A 105 10.940 35.183 30.361 1.00 11.12 O ATOM 1558 CG2 THR A 105 12.866 34.299 29.233 1.00 9.80 C ATOM 0 H THR A 105 9.756 33.134 31.449 1.00 7.78 H new ATOM 0 HA THR A 105 10.431 33.138 28.701 1.00 8.79 H new ATOM 0 HB THR A 105 12.162 33.694 31.153 1.00 9.83 H new ATOM 0 HG1 THR A 105 11.503 35.912 30.696 1.00 11.12 H new ATOM 0 HG21 THR A 105 13.479 35.109 29.629 1.00 9.80 H new ATOM 0 HG22 THR A 105 13.480 33.407 29.107 1.00 9.80 H new ATOM 0 HG23 THR A 105 12.453 34.595 28.269 1.00 9.80 H new ATOM 1566 N ALA A 106 11.867 30.850 30.594 1.00 7.90 N ATOM 1567 CA ALA A 106 12.641 29.606 30.554 1.00 8.06 C ATOM 1568 C ALA A 106 11.894 28.556 29.733 1.00 6.47 C ATOM 1569 O ALA A 106 12.500 27.785 28.986 1.00 8.65 O ATOM 1570 CB ALA A 106 12.874 29.089 31.960 1.00 7.04 C ATOM 0 H ALA A 106 11.502 31.089 31.516 1.00 7.90 H new ATOM 0 HA ALA A 106 13.606 29.807 30.088 1.00 8.06 H new ATOM 0 HB1 ALA A 106 13.450 28.165 31.917 1.00 7.04 H new ATOM 0 HB2 ALA A 106 13.425 29.833 32.535 1.00 7.04 H new ATOM 0 HB3 ALA A 106 11.915 28.897 32.441 1.00 7.04 H new ATOM 1576 N CYS A 107 10.576 28.532 29.877 1.00 6.17 N ATOM 1577 CA CYS A 107 9.756 27.582 29.143 1.00 6.56 C ATOM 1578 C CYS A 107 9.825 27.877 27.647 1.00 7.64 C ATOM 1579 O CYS A 107 10.015 26.969 26.834 1.00 6.79 O ATOM 1580 CB CYS A 107 8.312 27.650 29.625 1.00 5.62 C ATOM 1581 SG CYS A 107 7.250 26.380 28.870 1.00 9.09 S ATOM 0 H CYS A 107 10.055 29.157 30.492 1.00 6.17 H new ATOM 0 HA CYS A 107 10.138 26.577 29.322 1.00 6.56 H new ATOM 0 HB2 CYS A 107 8.291 27.536 30.709 1.00 5.62 H new ATOM 0 HB3 CYS A 107 7.906 28.636 29.400 1.00 5.62 H new ATOM 1586 N ASN A 108 9.682 29.147 27.281 1.00 7.82 N ATOM 1587 CA ASN A 108 9.746 29.529 25.876 1.00 8.81 C ATOM 1588 C ASN A 108 11.132 29.269 25.292 1.00 8.85 C ATOM 1589 O ASN A 108 11.265 28.951 24.113 1.00 8.88 O ATOM 1590 CB ASN A 108 9.364 31.001 25.717 1.00 10.12 C ATOM 1591 CG ASN A 108 7.866 31.209 25.757 1.00 11.52 C ATOM 1592 OD1 ASN A 108 7.109 30.460 25.134 1.00 15.31 O ATOM 1593 ND2 ASN A 108 7.425 32.222 26.493 1.00 13.46 N ATOM 0 H ASN A 108 9.523 29.919 27.928 1.00 7.82 H new ATOM 0 HA ASN A 108 9.035 28.915 25.323 1.00 8.81 H new ATOM 0 HB2 ASN A 108 9.832 31.584 26.511 1.00 10.12 H new ATOM 0 HB3 ASN A 108 9.756 31.377 24.772 1.00 10.12 H new ATOM 0 HD21 ASN A 108 6.424 32.406 26.560 1.00 13.46 H new ATOM 0 HD22 ASN A 108 8.087 32.816 26.992 1.00 13.46 H new ATOM 1600 N SER A 109 12.164 29.394 26.121 1.00 8.02 N ATOM 1601 CA SER A 109 13.535 29.149 25.688 1.00 9.18 C ATOM 1602 C SER A 109 13.752 27.655 25.396 1.00 8.76 C ATOM 1603 O SER A 109 14.433 27.289 24.435 1.00 9.17 O ATOM 1604 CB SER A 109 14.516 29.623 26.768 1.00 10.90 C ATOM 1605 OG SER A 109 15.843 29.248 26.448 1.00 15.66 O ATOM 0 H SER A 109 12.076 29.665 27.100 1.00 8.02 H new ATOM 0 HA SER A 109 13.715 29.709 24.770 1.00 9.18 H new ATOM 0 HB2 SER A 109 14.455 30.707 26.869 1.00 10.90 H new ATOM 0 HB3 SER A 109 14.236 29.196 27.731 1.00 10.90 H new ATOM 0 HG SER A 109 16.450 29.562 27.150 1.00 15.66 H new ATOM 1611 N THR A 110 13.174 26.797 26.232 1.00 7.87 N ATOM 1612 CA THR A 110 13.302 25.357 26.038 1.00 8.39 C ATOM 1613 C THR A 110 12.506 24.964 24.788 1.00 7.37 C ATOM 1614 O THR A 110 12.956 24.142 23.987 1.00 6.78 O ATOM 1615 CB THR A 110 12.785 24.573 27.266 1.00 9.47 C ATOM 1616 OG1 THR A 110 13.545 24.947 28.425 1.00 9.80 O ATOM 1617 CG2 THR A 110 12.934 23.066 27.044 1.00 8.33 C ATOM 0 H THR A 110 12.618 27.070 27.042 1.00 7.87 H new ATOM 0 HA THR A 110 14.355 25.107 25.913 1.00 8.39 H new ATOM 0 HB THR A 110 11.731 24.811 27.411 1.00 9.47 H new ATOM 0 HG1 THR A 110 13.306 25.859 28.692 1.00 9.80 H new ATOM 0 HG21 THR A 110 12.565 22.531 27.919 1.00 8.33 H new ATOM 0 HG22 THR A 110 12.358 22.769 26.167 1.00 8.33 H new ATOM 0 HG23 THR A 110 13.985 22.823 26.887 1.00 8.33 H new ATOM 1625 N ALA A 111 11.330 25.562 24.623 1.00 6.45 N ATOM 1626 CA ALA A 111 10.492 25.289 23.462 1.00 6.82 C ATOM 1627 C ALA A 111 11.253 25.648 22.189 1.00 7.65 C ATOM 1628 O ALA A 111 11.221 24.906 21.203 1.00 7.41 O ATOM 1629 CB ALA A 111 9.191 26.089 23.545 1.00 6.08 C ATOM 0 H ALA A 111 10.937 26.238 25.278 1.00 6.45 H new ATOM 0 HA ALA A 111 10.242 24.228 23.443 1.00 6.82 H new ATOM 0 HB1 ALA A 111 8.576 25.875 22.671 1.00 6.08 H new ATOM 0 HB2 ALA A 111 8.649 25.809 24.448 1.00 6.08 H new ATOM 0 HB3 ALA A 111 9.420 27.154 23.575 1.00 6.08 H new ATOM 1635 N TRP A 112 11.954 26.780 22.215 1.00 7.87 N ATOM 1636 CA TRP A 112 12.720 27.217 21.056 1.00 8.04 C ATOM 1637 C TRP A 112 13.855 26.237 20.764 1.00 8.10 C ATOM 1638 O TRP A 112 14.122 25.905 19.610 1.00 8.84 O ATOM 1639 CB TRP A 112 13.289 28.622 21.293 1.00 10.03 C ATOM 1640 CG TRP A 112 13.924 29.207 20.070 1.00 10.98 C ATOM 1641 CD1 TRP A 112 13.289 29.614 18.931 1.00 13.52 C ATOM 1642 CD2 TRP A 112 15.321 29.421 19.851 1.00 13.08 C ATOM 1643 NE1 TRP A 112 14.207 30.068 18.014 1.00 15.25 N ATOM 1644 CE2 TRP A 112 15.462 29.961 18.552 1.00 13.59 C ATOM 1645 CE3 TRP A 112 16.469 29.210 20.624 1.00 16.07 C ATOM 1646 CZ2 TRP A 112 16.709 30.293 18.007 1.00 17.09 C ATOM 1647 CZ3 TRP A 112 17.714 29.542 20.081 1.00 19.29 C ATOM 1648 CH2 TRP A 112 17.820 30.078 18.782 1.00 18.36 C ATOM 0 H TRP A 112 12.006 27.405 23.020 1.00 7.87 H new ATOM 0 HA TRP A 112 12.053 27.246 20.194 1.00 8.04 H new ATOM 0 HB2 TRP A 112 12.489 29.280 21.631 1.00 10.03 H new ATOM 0 HB3 TRP A 112 14.027 28.579 22.094 1.00 10.03 H new ATOM 0 HD1 TRP A 112 12.221 29.584 18.774 1.00 13.52 H new ATOM 0 HE1 TRP A 112 13.989 30.426 17.084 1.00 15.25 H new ATOM 0 HE3 TRP A 112 16.394 28.799 21.620 1.00 16.07 H new ATOM 0 HZ2 TRP A 112 16.793 30.704 17.012 1.00 17.09 H new ATOM 0 HZ3 TRP A 112 18.608 29.385 20.666 1.00 19.29 H new ATOM 0 HH2 TRP A 112 18.795 30.324 18.389 1.00 18.36 H new ATOM 1659 N THR A 113 14.514 25.764 21.812 1.00 7.69 N ATOM 1660 CA THR A 113 15.622 24.830 21.653 1.00 9.13 C ATOM 1661 C THR A 113 15.152 23.516 21.031 1.00 8.31 C ATOM 1662 O THR A 113 15.837 22.932 20.190 1.00 9.33 O ATOM 1663 CB THR A 113 16.285 24.541 23.005 1.00 9.52 C ATOM 1664 OG1 THR A 113 16.891 25.739 23.498 1.00 11.03 O ATOM 1665 CG2 THR A 113 17.348 23.482 22.858 1.00 12.13 C ATOM 0 H THR A 113 14.303 26.010 22.779 1.00 7.69 H new ATOM 0 HA THR A 113 16.348 25.296 20.986 1.00 9.13 H new ATOM 0 HB THR A 113 15.523 24.187 23.699 1.00 9.52 H new ATOM 0 HG1 THR A 113 16.198 26.335 23.851 1.00 11.03 H new ATOM 0 HG21 THR A 113 17.807 23.290 23.828 1.00 12.13 H new ATOM 0 HG22 THR A 113 16.897 22.564 22.482 1.00 12.13 H new ATOM 0 HG23 THR A 113 18.109 23.825 22.158 1.00 12.13 H new ATOM 1673 N TYR A 114 13.984 23.053 21.456 1.00 7.88 N ATOM 1674 CA TYR A 114 13.426 21.817 20.929 1.00 7.82 C ATOM 1675 C TYR A 114 13.108 22.007 19.448 1.00 8.68 C ATOM 1676 O TYR A 114 13.423 21.157 18.610 1.00 7.81 O ATOM 1677 CB TYR A 114 12.148 21.462 21.685 1.00 8.31 C ATOM 1678 CG TYR A 114 12.364 20.569 22.887 1.00 8.86 C ATOM 1679 CD1 TYR A 114 13.488 20.717 23.701 1.00 9.32 C ATOM 1680 CD2 TYR A 114 11.441 19.575 23.209 1.00 8.71 C ATOM 1681 CE1 TYR A 114 13.689 19.893 24.805 1.00 9.91 C ATOM 1682 CE2 TYR A 114 11.630 18.748 24.308 1.00 9.27 C ATOM 1683 CZ TYR A 114 12.757 18.908 25.099 1.00 10.39 C ATOM 1684 OH TYR A 114 12.961 18.056 26.160 1.00 11.66 O ATOM 0 H TYR A 114 13.408 23.513 22.161 1.00 7.88 H new ATOM 0 HA TYR A 114 14.147 21.009 21.052 1.00 7.82 H new ATOM 0 HB2 TYR A 114 11.666 22.383 22.013 1.00 8.31 H new ATOM 0 HB3 TYR A 114 11.459 20.968 20.999 1.00 8.31 H new ATOM 0 HD1 TYR A 114 14.214 21.483 23.471 1.00 9.32 H new ATOM 0 HD2 TYR A 114 10.564 19.446 22.593 1.00 8.71 H new ATOM 0 HE1 TYR A 114 14.563 20.019 25.427 1.00 9.91 H new ATOM 0 HE2 TYR A 114 10.904 17.985 24.545 1.00 9.27 H new ATOM 0 HH TYR A 114 13.899 17.772 26.175 1.00 11.66 H new ATOM 1694 N TYR A 115 12.471 23.132 19.141 1.00 8.26 N ATOM 1695 CA TYR A 115 12.088 23.469 17.772 1.00 8.66 C ATOM 1696 C TYR A 115 13.311 23.562 16.855 1.00 8.32 C ATOM 1697 O TYR A 115 13.319 23.009 15.755 1.00 6.76 O ATOM 1698 CB TYR A 115 11.321 24.796 17.787 1.00 10.02 C ATOM 1699 CG TYR A 115 10.996 25.368 16.430 1.00 10.68 C ATOM 1700 CD1 TYR A 115 10.101 24.723 15.578 1.00 10.59 C ATOM 1701 CD2 TYR A 115 11.558 26.575 16.013 1.00 12.01 C ATOM 1702 CE1 TYR A 115 9.766 25.265 14.340 1.00 12.48 C ATOM 1703 CE2 TYR A 115 11.232 27.131 14.777 1.00 12.40 C ATOM 1704 CZ TYR A 115 10.329 26.468 13.944 1.00 13.77 C ATOM 1705 OH TYR A 115 9.973 27.015 12.728 1.00 13.24 O ATOM 0 H TYR A 115 12.206 23.835 19.831 1.00 8.26 H new ATOM 0 HA TYR A 115 11.451 22.678 17.376 1.00 8.66 H new ATOM 0 HB2 TYR A 115 10.390 24.652 18.335 1.00 10.02 H new ATOM 0 HB3 TYR A 115 11.907 25.529 18.341 1.00 10.02 H new ATOM 0 HD1 TYR A 115 9.659 23.786 15.884 1.00 10.59 H new ATOM 0 HD2 TYR A 115 12.257 27.087 16.658 1.00 12.01 H new ATOM 0 HE1 TYR A 115 9.071 24.751 13.692 1.00 12.48 H new ATOM 0 HE2 TYR A 115 11.674 28.066 14.467 1.00 12.40 H new ATOM 0 HH TYR A 115 10.453 27.859 12.596 1.00 13.24 H new ATOM 1715 N GLN A 116 14.345 24.260 17.313 1.00 7.19 N ATOM 1716 CA GLN A 116 15.561 24.413 16.530 1.00 8.61 C ATOM 1717 C GLN A 116 16.274 23.083 16.283 1.00 7.94 C ATOM 1718 O GLN A 116 16.927 22.911 15.257 1.00 7.46 O ATOM 1719 CB GLN A 116 16.521 25.374 17.232 1.00 9.83 C ATOM 1720 CG GLN A 116 16.046 26.820 17.227 1.00 13.51 C ATOM 1721 CD GLN A 116 15.870 27.367 15.826 1.00 16.19 C ATOM 1722 OE1 GLN A 116 14.747 27.503 15.333 1.00 18.81 O ATOM 1723 NE2 GLN A 116 16.983 27.681 15.172 1.00 17.92 N ATOM 0 H GLN A 116 14.363 24.727 18.220 1.00 7.19 H new ATOM 0 HA GLN A 116 15.262 24.814 15.562 1.00 8.61 H new ATOM 0 HB2 GLN A 116 16.658 25.049 18.263 1.00 9.83 H new ATOM 0 HB3 GLN A 116 17.496 25.319 16.748 1.00 9.83 H new ATOM 0 HG2 GLN A 116 15.099 26.890 17.763 1.00 13.51 H new ATOM 0 HG3 GLN A 116 16.764 27.437 17.767 1.00 13.51 H new ATOM 0 HE21 GLN A 116 17.891 27.552 15.619 1.00 17.92 H new ATOM 0 HE22 GLN A 116 16.930 28.051 14.223 1.00 17.92 H new ATOM 1732 N ALA A 117 16.143 22.150 17.224 1.00 8.14 N ATOM 1733 CA ALA A 117 16.794 20.849 17.111 1.00 9.10 C ATOM 1734 C ALA A 117 16.169 19.958 16.032 1.00 9.29 C ATOM 1735 O ALA A 117 16.786 18.984 15.600 1.00 10.02 O ATOM 1736 CB ALA A 117 16.790 20.142 18.466 1.00 8.68 C ATOM 0 H ALA A 117 15.591 22.272 18.073 1.00 8.14 H new ATOM 0 HA ALA A 117 17.822 21.032 16.799 1.00 9.10 H new ATOM 0 HB1 ALA A 117 17.278 19.172 18.372 1.00 8.68 H new ATOM 0 HB2 ALA A 117 17.327 20.749 19.195 1.00 8.68 H new ATOM 0 HB3 ALA A 117 15.762 20.000 18.799 1.00 8.68 H new ATOM 1742 N VAL A 118 14.952 20.280 15.602 1.00 8.91 N ATOM 1743 CA VAL A 118 14.314 19.513 14.530 1.00 9.95 C ATOM 1744 C VAL A 118 14.369 20.334 13.239 1.00 11.35 C ATOM 1745 O VAL A 118 14.389 19.785 12.139 1.00 11.69 O ATOM 1746 CB VAL A 118 12.846 19.161 14.842 1.00 10.56 C ATOM 1747 CG1 VAL A 118 12.796 18.111 15.946 1.00 11.93 C ATOM 1748 CG2 VAL A 118 12.069 20.409 15.226 1.00 12.56 C ATOM 0 H VAL A 118 14.395 21.051 15.969 1.00 8.91 H new ATOM 0 HA VAL A 118 14.857 18.574 14.427 1.00 9.95 H new ATOM 0 HB VAL A 118 12.376 18.746 13.950 1.00 10.56 H new ATOM 0 HG11 VAL A 118 11.758 17.863 16.166 1.00 11.93 H new ATOM 0 HG12 VAL A 118 13.322 17.214 15.619 1.00 11.93 H new ATOM 0 HG13 VAL A 118 13.273 18.504 16.844 1.00 11.93 H new ATOM 0 HG21 VAL A 118 11.035 20.141 15.443 1.00 12.56 H new ATOM 0 HG22 VAL A 118 12.520 20.861 16.110 1.00 12.56 H new ATOM 0 HG23 VAL A 118 12.094 21.121 14.401 1.00 12.56 H new ATOM 1758 N LYS A 119 14.414 21.655 13.388 1.00 11.12 N ATOM 1759 CA LYS A 119 14.487 22.564 12.253 1.00 11.36 C ATOM 1760 C LYS A 119 15.847 22.431 11.562 1.00 11.14 C ATOM 1761 O LYS A 119 15.986 22.735 10.381 1.00 12.08 O ATOM 1762 CB LYS A 119 14.282 24.004 12.736 1.00 12.40 C ATOM 1763 CG LYS A 119 13.975 25.000 11.644 1.00 16.18 C ATOM 1764 CD LYS A 119 12.543 24.865 11.173 1.00 18.60 C ATOM 1765 CE LYS A 119 12.413 25.312 9.731 1.00 20.19 C ATOM 1766 NZ LYS A 119 10.995 25.498 9.338 1.00 21.12 N ATOM 0 H LYS A 119 14.401 22.122 14.295 1.00 11.12 H new ATOM 0 HA LYS A 119 13.704 22.310 11.538 1.00 11.36 H new ATOM 0 HB2 LYS A 119 13.467 24.017 13.460 1.00 12.40 H new ATOM 0 HB3 LYS A 119 15.180 24.328 13.261 1.00 12.40 H new ATOM 0 HG2 LYS A 119 14.147 26.012 12.011 1.00 16.18 H new ATOM 0 HG3 LYS A 119 14.654 24.846 10.805 1.00 16.18 H new ATOM 0 HD2 LYS A 119 12.219 23.829 11.269 1.00 18.60 H new ATOM 0 HD3 LYS A 119 11.888 25.464 11.806 1.00 18.60 H new ATOM 0 HE2 LYS A 119 12.955 26.247 9.590 1.00 20.19 H new ATOM 0 HE3 LYS A 119 12.877 24.573 9.078 1.00 20.19 H new ATOM 0 HZ1 LYS A 119 10.947 25.804 8.345 1.00 21.12 H new ATOM 0 HZ2 LYS A 119 10.483 24.599 9.448 1.00 21.12 H new ATOM 0 HZ3 LYS A 119 10.559 26.222 9.944 1.00 21.12 H new ATOM 1780 N ILE A 120 16.845 21.963 12.301 1.00 9.81 N ATOM 1781 CA ILE A 120 18.188 21.801 11.755 1.00 11.79 C ATOM 1782 C ILE A 120 18.251 20.755 10.638 1.00 11.47 C ATOM 1783 O ILE A 120 19.150 20.779 9.798 1.00 11.21 O ATOM 1784 CB ILE A 120 19.198 21.436 12.887 1.00 13.74 C ATOM 1785 CG1 ILE A 120 20.600 21.939 12.518 1.00 15.82 C ATOM 1786 CG2 ILE A 120 19.160 19.940 13.180 1.00 14.84 C ATOM 1787 CD1 ILE A 120 21.398 21.004 11.650 1.00 19.27 C ATOM 0 H ILE A 120 16.751 21.689 13.279 1.00 9.81 H new ATOM 0 HA ILE A 120 18.464 22.759 11.315 1.00 11.79 H new ATOM 0 HB ILE A 120 18.910 21.937 13.811 1.00 13.74 H new ATOM 0 HG12 ILE A 120 20.504 22.896 12.005 1.00 15.82 H new ATOM 0 HG13 ILE A 120 21.157 22.125 13.436 1.00 15.82 H new ATOM 0 HG21 ILE A 120 19.871 19.706 13.972 1.00 14.84 H new ATOM 0 HG22 ILE A 120 18.157 19.657 13.498 1.00 14.84 H new ATOM 0 HG23 ILE A 120 19.425 19.386 12.279 1.00 14.84 H new ATOM 0 HD11 ILE A 120 22.373 21.444 11.442 1.00 19.27 H new ATOM 0 HD12 ILE A 120 21.532 20.053 12.166 1.00 19.27 H new ATOM 0 HD13 ILE A 120 20.868 20.836 10.712 1.00 19.27 H new ATOM 1799 N PHE A 121 17.281 19.850 10.619 1.00 11.98 N ATOM 1800 CA PHE A 121 17.252 18.807 9.602 1.00 14.29 C ATOM 1801 C PHE A 121 16.678 19.281 8.266 1.00 16.09 C ATOM 1802 O PHE A 121 16.778 18.581 7.261 1.00 16.46 O ATOM 1803 CB PHE A 121 16.466 17.603 10.120 1.00 13.87 C ATOM 1804 CG PHE A 121 17.194 16.827 11.182 1.00 15.12 C ATOM 1805 CD1 PHE A 121 18.367 16.139 10.876 1.00 15.20 C ATOM 1806 CD2 PHE A 121 16.726 16.804 12.491 1.00 15.74 C ATOM 1807 CE1 PHE A 121 19.066 15.443 11.859 1.00 17.08 C ATOM 1808 CE2 PHE A 121 17.416 16.110 13.483 1.00 16.13 C ATOM 1809 CZ PHE A 121 18.587 15.429 13.166 1.00 17.02 C ATOM 0 H PHE A 121 16.512 19.816 11.288 1.00 11.98 H new ATOM 0 HA PHE A 121 18.287 18.524 9.408 1.00 14.29 H new ATOM 0 HB2 PHE A 121 15.512 17.946 10.521 1.00 13.87 H new ATOM 0 HB3 PHE A 121 16.241 16.939 9.285 1.00 13.87 H new ATOM 0 HD1 PHE A 121 18.739 16.146 9.862 1.00 15.20 H new ATOM 0 HD2 PHE A 121 15.817 17.330 12.742 1.00 15.74 H new ATOM 0 HE1 PHE A 121 19.975 14.917 11.609 1.00 17.08 H new ATOM 0 HE2 PHE A 121 17.042 16.101 14.496 1.00 16.13 H new ATOM 0 HZ PHE A 121 19.124 14.890 13.933 1.00 17.02 H new ATOM 1819 N GLY A 122 16.078 20.467 8.255 1.00 17.87 N ATOM 1820 CA GLY A 122 15.522 20.990 7.018 1.00 20.67 C ATOM 1821 C GLY A 122 14.159 21.648 7.145 1.00 21.74 C ATOM 1822 O GLY A 122 13.668 21.841 8.300 1.00 21.75 O ATOM 1823 OXT GLY A 122 13.560 21.979 6.075 1.00 25.31 O ATOM 0 H GLY A 122 15.967 21.070 9.070 1.00 17.87 H new ATOM 0 HA2 GLY A 122 16.221 21.717 6.604 1.00 20.67 H new ATOM 0 HA3 GLY A 122 15.448 20.174 6.299 1.00 20.67 H new TER 1827 GLY A 122 CONECT 657 881 CONECT 881 657 CONECT 1433 1581 CONECT 1581 1433 END