USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1076 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 04-NOV-96 1TBD TITLE SOLUTION STRUCTURE OF THE ORIGIN DNA BINDING DOMAIN OF SV40 TITLE 2 T-ANTIGEN, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: SV40 T-ANTIGEN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: DNA BINDING DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 40; SOURCE 3 ORGANISM_TAXID: 10633; SOURCE 4 CELL_LINE: BL21; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS DNA-BINDING PROTEIN, REPLICATION ORIGIN BINDING DOMAIN EXPDTA SOLUTION NMR AUTHOR X.LUO,D.G.SANFORD,P.A.BULLOCK,W.W.BACHOVCHIN REVDAT 2 24-FEB-09 1TBD 1 VERSN REVDAT 1 12-MAR-97 1TBD 0 JRNL AUTH X.LUO,D.G.SANFORD,P.A.BULLOCK,W.W.BACHOVCHIN JRNL TITL SOLUTION STRUCTURE OF THE ORIGIN DNA-BINDING JRNL TITL 2 DOMAIN OF SV40 T-ANTIGEN. JRNL REF NAT.STRUCT.BIOL. V. 3 1034 1996 JRNL REFN ISSN 1072-8368 JRNL PMID 8946857 JRNL DOI 10.1038/NSB1296-1034 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TBD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, HNCA, HN(CO)CA, REMARK 210 HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : BIOSYM FELIX FELIX REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : TO BE GIVEN REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C, 15N LABELED SV40 T-ANTIGEN DNA BINDING REMARK 210 DOMAIN. 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: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLY A 1 N - CA - C ANGL. DEV. = 24.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 SER A 2 -38.38 165.80 REMARK 500 VAL A 4 102.97 -42.65 REMARK 500 ASP A 9 -168.87 -163.51 REMARK 500 PHE A 17 78.89 -153.68 REMARK 500 PHE A 23 53.76 -110.02 REMARK 500 THR A 36 155.87 -43.43 REMARK 500 VAL A 53 119.64 -37.73 REMARK 500 PHE A 55 114.51 177.60 REMARK 500 SER A 61 -90.45 -112.10 REMARK 500 TYR A 62 -45.99 -130.77 REMARK 500 HIS A 64 -158.05 -145.55 REMARK 500 PHE A 69 109.21 -166.25 REMARK 500 PRO A 72 -80.60 -77.59 REMARK 500 HIS A 73 174.31 -48.57 REMARK 500 LEU A 87 56.86 -100.75 REMARK 500 SER A 91 -177.05 162.98 REMARK 500 GLU A 101 -74.32 -62.40 REMARK 500 ASP A 111 156.46 -43.63 REMARK 500 ILE A 116 -69.90 -120.14 REMARK 500 LYS A 125 -155.37 175.98 REMARK 500 PHE A 129 -156.71 -79.53 REMARK 500 GLU A 132 85.47 -69.28 REMARK 500 SER A 133 -93.12 46.20 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 26 0.26 SIDE_CHAIN REMARK 500 ARG A 58 0.17 SIDE_CHAIN REMARK 500 ARG A 74 0.31 SIDE_CHAIN REMARK 500 ARG A 76 0.31 SIDE_CHAIN REMARK 500 ARG A 110 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1TBD A 3 132 UNP P03070 TALA_SV40 131 260 SEQRES 1 A 134 GLY SER LYS VAL GLU ASP PRO LYS ASP PHE PRO SER GLU SEQRES 2 A 134 LEU LEU SER PHE LEU SER HIS ALA VAL PHE SER ASN ARG SEQRES 3 A 134 THR LEU ALA CYS PHE ALA ILE TYR THR THR LYS GLU LYS SEQRES 4 A 134 ALA ALA LEU LEU TYR LYS LYS ILE MET GLU LYS TYR SER SEQRES 5 A 134 VAL THR PHE ILE SER ARG HIS ASN SER TYR ASN HIS ASN SEQRES 6 A 134 ILE LEU PHE PHE LEU THR PRO HIS ARG HIS ARG VAL SER SEQRES 7 A 134 ALA ILE ASN ASN TYR ALA GLN LYS LEU CYS THR PHE SER SEQRES 8 A 134 PHE LEU ILE CYS LYS GLY VAL ASN LYS GLU TYR LEU MET SEQRES 9 A 134 TYR SER ALA LEU THR ARG ASP PRO PHE SER VAL ILE GLU SEQRES 10 A 134 GLU SER LEU PRO GLY GLY LEU LYS GLU HIS ASP PHE ASN SEQRES 11 A 134 PRO GLU SER SER HELIX 1 1 SER A 12 LEU A 15 5 4 HELIX 2 2 LYS A 37 GLU A 49 1 13 HELIX 3 3 SER A 78 LYS A 86 1 9 HELIX 4 4 TYR A 102 THR A 109 1 8 SHEET 1 A 5 ILE A 94 GLY A 97 0 SHEET 2 A 5 CYS A 30 THR A 35 -1 N TYR A 34 O ILE A 94 SHEET 3 A 5 ASN A 65 LEU A 70 -1 N PHE A 69 O PHE A 31 SHEET 4 A 5 PHE A 55 ASN A 60 -1 N HIS A 59 O ILE A 66 SHEET 5 A 5 SER A 114 GLU A 118 -1 N GLU A 117 O ARG A 58 CISPEP 1 ASP A 111 PRO A 112 0 -0.05 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 71 THR OG1 : rot 141:sc= -3.45! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -11.1! C(o=-38!,f=-41!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -23.5! C(o=-38!,f=-48!) USER MOD Set 2.1: A 60 ASN : amide:sc= -9.8! C(o=-22!,f=-24!) USER MOD Set 2.2: A 65 ASN : amide:sc= -12.5! C(o=-22!,f=-26!) USER MOD Set 3.1: A 57 SER OG : rot -101:sc= -3.37! USER MOD Set 3.2: A 59 HIS : no HE2:sc= -11.4! C(o=-15!,f=-21!) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -124:sc= -0.571 (180deg=-2.47!) USER MOD Set 4.2: A 83 TYR OH : rot -134:sc= -2.72! USER MOD Set 5.1: A 35 THR OG1 : rot -62:sc= -5.81! USER MOD Set 5.2: A 36 THR OG1 : rot 180:sc= -0.849 USER MOD Set 6.1: A 34 TYR OH : rot 150:sc= -1.7! USER MOD Set 6.2: A 64 HIS : no HD1:sc= -18! C(o=-20!,f=-20!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0128) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -4.3! K(o=-4.3!,f=-2.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.471 K(o=-0.47,f=-3.1!) USER MOD Single : A 27 THR OG1 : rot 30:sc= 0.406 USER MOD Single : A 30 CYS SG : rot 18:sc= -9.24! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -6.01! (180deg=-6.93!) USER MOD Single : A 44 TYR OH : rot 147:sc= 0.359 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -146:sc= -0.885 (180deg=-1.42) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 61 SER OG : rot -176:sc= 0.135 USER MOD Single : A 62 TYR OH : rot -32:sc= -0.631! USER MOD Single : A 63 ASN : amide:sc= -5.72! C(o=-5.7!,f=-6.9!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.226 USER MOD Single : A 81 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.6) USER MOD Single : A 82 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.3!) USER MOD Single : A 85 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 1:sc= 0.617 USER MOD Single : A 89 THR OG1 : rot -19:sc= 1.52 USER MOD Single : A 91 SER OG : rot 74:sc= 0.244 USER MOD Single : A 95 CYS SG : rot -140:sc= -2.9 USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= 0.243 (180deg=0.00611) USER MOD Single : A 99 ASN : amide:sc= -0.326 K(o=-0.33,f=-3.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -119:sc= -8.67! (180deg=-12!) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -19:sc= 0.72 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-7.4!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 133 SER OG : rot 180:sc= -1.39! USER MOD Single : A 134 SER OG : rot 180:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 111.104 -5.478 26.031 1.00 8.94 N ATOM 2 CA GLY A 1 112.119 -6.214 26.823 1.00 8.40 C ATOM 3 C GLY A 1 113.106 -7.354 26.602 1.00 7.55 C ATOM 4 O GLY A 1 113.684 -7.876 27.534 1.00 7.60 O ATOM 0 H1 GLY A 1 110.659 -4.751 26.627 1.00 8.94 H new ATOM 0 H2 GLY A 1 111.562 -5.024 25.215 1.00 8.94 H new ATOM 0 H3 GLY A 1 110.378 -6.142 25.694 1.00 8.94 H new ATOM 0 HA2 GLY A 1 112.763 -5.412 27.183 1.00 8.40 H new ATOM 0 HA3 GLY A 1 111.541 -6.566 27.677 1.00 8.40 H new ATOM 10 N SER A 2 113.306 -7.748 25.374 1.00 7.04 N ATOM 11 CA SER A 2 114.260 -8.859 25.094 1.00 6.48 C ATOM 12 C SER A 2 114.055 -9.360 23.663 1.00 5.66 C ATOM 13 O SER A 2 114.997 -9.688 22.969 1.00 5.79 O ATOM 14 CB SER A 2 114.011 -10.005 26.075 1.00 6.90 C ATOM 15 OG SER A 2 114.387 -11.234 25.467 1.00 7.32 O ATOM 0 H SER A 2 112.851 -7.349 24.553 1.00 7.04 H new ATOM 0 HA SER A 2 115.282 -8.497 25.209 1.00 6.48 H new ATOM 0 HB2 SER A 2 114.584 -9.848 26.989 1.00 6.90 H new ATOM 0 HB3 SER A 2 112.959 -10.034 26.359 1.00 6.90 H new ATOM 0 HG SER A 2 114.230 -11.971 26.094 1.00 7.32 H new ATOM 21 N LYS A 3 112.831 -9.421 23.215 1.00 5.14 N ATOM 22 CA LYS A 3 112.567 -9.902 21.829 1.00 4.55 C ATOM 23 C LYS A 3 112.651 -8.724 20.856 1.00 3.66 C ATOM 24 O LYS A 3 112.383 -7.594 21.210 1.00 3.27 O ATOM 25 CB LYS A 3 111.170 -10.521 21.761 1.00 4.95 C ATOM 26 CG LYS A 3 110.940 -11.397 22.994 1.00 5.83 C ATOM 27 CD LYS A 3 109.465 -11.795 23.071 1.00 6.50 C ATOM 28 CE LYS A 3 109.028 -11.850 24.536 1.00 7.34 C ATOM 29 NZ LYS A 3 107.956 -12.873 24.698 1.00 8.03 N ATOM 0 H LYS A 3 112.002 -9.159 23.749 1.00 5.14 H new ATOM 0 HA LYS A 3 113.310 -10.652 21.557 1.00 4.55 H new ATOM 0 HB2 LYS A 3 110.415 -9.736 21.713 1.00 4.95 H new ATOM 0 HB3 LYS A 3 111.068 -11.117 20.854 1.00 4.95 H new ATOM 0 HG2 LYS A 3 111.566 -12.288 22.942 1.00 5.83 H new ATOM 0 HG3 LYS A 3 111.229 -10.857 23.896 1.00 5.83 H new ATOM 0 HD2 LYS A 3 108.854 -11.076 22.525 1.00 6.50 H new ATOM 0 HD3 LYS A 3 109.314 -12.766 22.599 1.00 6.50 H new ATOM 0 HE2 LYS A 3 109.879 -12.096 25.171 1.00 7.34 H new ATOM 0 HE3 LYS A 3 108.664 -10.873 24.855 1.00 7.34 H new ATOM 0 HZ1 LYS A 3 107.659 -12.910 25.694 1.00 8.03 H new ATOM 0 HZ2 LYS A 3 107.141 -12.619 24.103 1.00 8.03 H new ATOM 0 HZ3 LYS A 3 108.318 -13.804 24.410 1.00 8.03 H new ATOM 43 N VAL A 4 113.025 -8.982 19.631 1.00 3.57 N ATOM 44 CA VAL A 4 113.130 -7.882 18.633 1.00 2.95 C ATOM 45 C VAL A 4 111.928 -6.946 18.769 1.00 2.17 C ATOM 46 O VAL A 4 110.839 -7.250 18.326 1.00 2.29 O ATOM 47 CB VAL A 4 113.156 -8.475 17.224 1.00 3.19 C ATOM 48 CG1 VAL A 4 111.846 -9.220 16.959 1.00 3.17 C ATOM 49 CG2 VAL A 4 113.315 -7.348 16.201 1.00 3.40 C ATOM 0 H VAL A 4 113.262 -9.910 19.279 1.00 3.57 H new ATOM 0 HA VAL A 4 114.047 -7.320 18.810 1.00 2.95 H new ATOM 0 HB VAL A 4 113.993 -9.168 17.137 1.00 3.19 H new ATOM 0 HG11 VAL A 4 111.865 -9.643 15.954 1.00 3.17 H new ATOM 0 HG12 VAL A 4 111.730 -10.022 17.688 1.00 3.17 H new ATOM 0 HG13 VAL A 4 111.009 -8.527 17.045 1.00 3.17 H new ATOM 0 HG21 VAL A 4 113.334 -7.769 15.196 1.00 3.40 H new ATOM 0 HG22 VAL A 4 112.478 -6.656 16.289 1.00 3.40 H new ATOM 0 HG23 VAL A 4 114.247 -6.815 16.389 1.00 3.40 H new ATOM 59 N GLU A 5 112.117 -5.806 19.377 1.00 1.82 N ATOM 60 CA GLU A 5 110.984 -4.852 19.537 1.00 1.42 C ATOM 61 C GLU A 5 110.307 -4.637 18.182 1.00 1.13 C ATOM 62 O GLU A 5 110.872 -4.045 17.283 1.00 1.27 O ATOM 63 CB GLU A 5 111.513 -3.515 20.060 1.00 1.82 C ATOM 64 CG GLU A 5 110.652 -3.046 21.234 1.00 2.28 C ATOM 65 CD GLU A 5 111.556 -2.602 22.385 1.00 2.98 C ATOM 66 OE1 GLU A 5 112.365 -3.404 22.821 1.00 3.44 O ATOM 67 OE2 GLU A 5 111.423 -1.466 22.812 1.00 3.52 O ATOM 0 H GLU A 5 113.006 -5.495 19.769 1.00 1.82 H new ATOM 0 HA GLU A 5 110.262 -5.259 20.245 1.00 1.42 H new ATOM 0 HB2 GLU A 5 112.550 -3.622 20.377 1.00 1.82 H new ATOM 0 HB3 GLU A 5 111.498 -2.770 19.264 1.00 1.82 H new ATOM 0 HG2 GLU A 5 110.011 -2.221 20.922 1.00 2.28 H new ATOM 0 HG3 GLU A 5 109.996 -3.852 21.563 1.00 2.28 H new ATOM 74 N ASP A 6 109.103 -5.114 18.026 1.00 0.96 N ATOM 75 CA ASP A 6 108.396 -4.938 16.727 1.00 0.89 C ATOM 76 C ASP A 6 108.295 -3.441 16.403 1.00 0.78 C ATOM 77 O ASP A 6 107.905 -2.657 17.244 1.00 0.84 O ATOM 78 CB ASP A 6 106.991 -5.533 16.830 1.00 1.13 C ATOM 79 CG ASP A 6 106.903 -6.786 15.956 1.00 1.65 C ATOM 80 OD1 ASP A 6 107.474 -7.793 16.339 1.00 2.18 O ATOM 81 OD2 ASP A 6 106.264 -6.717 14.919 1.00 2.32 O ATOM 0 H ASP A 6 108.579 -5.618 18.741 1.00 0.96 H new ATOM 0 HA ASP A 6 108.949 -5.446 15.937 1.00 0.89 H new ATOM 0 HB2 ASP A 6 106.765 -5.783 17.867 1.00 1.13 H new ATOM 0 HB3 ASP A 6 106.250 -4.801 16.510 1.00 1.13 H new ATOM 86 N PRO A 7 108.647 -3.088 15.190 1.00 0.75 N ATOM 87 CA PRO A 7 108.603 -1.690 14.730 1.00 0.68 C ATOM 88 C PRO A 7 107.168 -1.287 14.378 1.00 0.65 C ATOM 89 O PRO A 7 106.524 -1.906 13.555 1.00 0.80 O ATOM 90 CB PRO A 7 109.488 -1.695 13.481 1.00 0.84 C ATOM 91 CG PRO A 7 109.521 -3.156 12.975 1.00 0.99 C ATOM 92 CD PRO A 7 109.120 -4.045 14.168 1.00 0.91 C ATOM 0 HA PRO A 7 108.942 -0.980 15.485 1.00 0.68 H new ATOM 0 HB2 PRO A 7 109.086 -1.029 12.718 1.00 0.84 H new ATOM 0 HB3 PRO A 7 110.492 -1.342 13.715 1.00 0.84 H new ATOM 0 HG2 PRO A 7 108.832 -3.293 12.141 1.00 0.99 H new ATOM 0 HG3 PRO A 7 110.515 -3.418 12.613 1.00 0.99 H new ATOM 0 HD2 PRO A 7 108.338 -4.752 13.892 1.00 0.91 H new ATOM 0 HD3 PRO A 7 109.965 -4.630 14.531 1.00 0.91 H new ATOM 100 N LYS A 8 106.664 -0.254 14.994 1.00 0.64 N ATOM 101 CA LYS A 8 105.273 0.186 14.692 1.00 0.78 C ATOM 102 C LYS A 8 105.286 1.119 13.479 1.00 0.64 C ATOM 103 O LYS A 8 104.254 1.466 12.940 1.00 0.78 O ATOM 104 CB LYS A 8 104.698 0.928 15.900 1.00 1.04 C ATOM 105 CG LYS A 8 104.370 -0.076 17.007 1.00 1.99 C ATOM 106 CD LYS A 8 105.285 0.171 18.208 1.00 2.65 C ATOM 107 CE LYS A 8 104.437 0.324 19.472 1.00 3.31 C ATOM 108 NZ LYS A 8 103.744 1.643 19.448 1.00 3.93 N ATOM 0 H LYS A 8 107.154 0.304 15.693 1.00 0.64 H new ATOM 0 HA LYS A 8 104.656 -0.685 14.474 1.00 0.78 H new ATOM 0 HB2 LYS A 8 105.415 1.664 16.263 1.00 1.04 H new ATOM 0 HB3 LYS A 8 103.800 1.473 15.611 1.00 1.04 H new ATOM 0 HG2 LYS A 8 103.326 0.023 17.305 1.00 1.99 H new ATOM 0 HG3 LYS A 8 104.501 -1.094 16.640 1.00 1.99 H new ATOM 0 HD2 LYS A 8 105.983 -0.658 18.324 1.00 2.65 H new ATOM 0 HD3 LYS A 8 105.881 1.069 18.046 1.00 2.65 H new ATOM 0 HE2 LYS A 8 103.706 -0.482 19.532 1.00 3.31 H new ATOM 0 HE3 LYS A 8 105.068 0.249 20.358 1.00 3.31 H new ATOM 0 HZ1 LYS A 8 103.277 1.807 20.363 1.00 3.93 H new ATOM 0 HZ2 LYS A 8 104.439 2.397 19.274 1.00 3.93 H new ATOM 0 HZ3 LYS A 8 103.031 1.647 18.690 1.00 3.93 H new ATOM 122 N ASP A 9 106.447 1.528 13.046 1.00 0.46 N ATOM 123 CA ASP A 9 106.524 2.438 11.869 1.00 0.41 C ATOM 124 C ASP A 9 107.950 2.440 11.316 1.00 0.33 C ATOM 125 O ASP A 9 108.774 1.629 11.690 1.00 0.36 O ATOM 126 CB ASP A 9 106.141 3.857 12.296 1.00 0.51 C ATOM 127 CG ASP A 9 104.620 3.963 12.413 1.00 1.60 C ATOM 128 OD1 ASP A 9 103.987 4.251 11.410 1.00 2.44 O ATOM 129 OD2 ASP A 9 104.113 3.754 13.502 1.00 2.29 O ATOM 0 H ASP A 9 107.345 1.271 13.456 1.00 0.46 H new ATOM 0 HA ASP A 9 105.836 2.092 11.097 1.00 0.41 H new ATOM 0 HB2 ASP A 9 106.607 4.099 13.251 1.00 0.51 H new ATOM 0 HB3 ASP A 9 106.511 4.579 11.569 1.00 0.51 H new ATOM 134 N PHE A 10 108.249 3.347 10.427 1.00 0.42 N ATOM 135 CA PHE A 10 109.620 3.403 9.848 1.00 0.42 C ATOM 136 C PHE A 10 110.591 3.967 10.890 1.00 0.46 C ATOM 137 O PHE A 10 110.176 4.587 11.850 1.00 0.52 O ATOM 138 CB PHE A 10 109.613 4.305 8.613 1.00 0.42 C ATOM 139 CG PHE A 10 108.981 3.568 7.457 1.00 0.37 C ATOM 140 CD1 PHE A 10 107.690 3.042 7.583 1.00 0.78 C ATOM 141 CD2 PHE A 10 109.688 3.409 6.258 1.00 1.33 C ATOM 142 CE1 PHE A 10 107.105 2.357 6.511 1.00 0.60 C ATOM 143 CE2 PHE A 10 109.103 2.724 5.187 1.00 1.63 C ATOM 144 CZ PHE A 10 107.812 2.198 5.313 1.00 0.89 C ATOM 0 H PHE A 10 107.601 4.053 10.076 1.00 0.42 H new ATOM 0 HA PHE A 10 109.937 2.400 9.563 1.00 0.42 H new ATOM 0 HB2 PHE A 10 109.059 5.221 8.821 1.00 0.42 H new ATOM 0 HB3 PHE A 10 110.631 4.599 8.358 1.00 0.42 H new ATOM 0 HD1 PHE A 10 107.145 3.165 8.507 1.00 0.78 H new ATOM 0 HD2 PHE A 10 110.684 3.815 6.160 1.00 1.33 H new ATOM 0 HE1 PHE A 10 106.109 1.951 6.608 1.00 0.60 H new ATOM 0 HE2 PHE A 10 109.648 2.601 4.263 1.00 1.63 H new ATOM 0 HZ PHE A 10 107.361 1.669 4.486 1.00 0.89 H new ATOM 154 N PRO A 11 111.860 3.733 10.668 1.00 0.49 N ATOM 155 CA PRO A 11 112.925 4.204 11.570 1.00 0.57 C ATOM 156 C PRO A 11 113.197 5.694 11.344 1.00 0.54 C ATOM 157 O PRO A 11 113.125 6.186 10.235 1.00 0.50 O ATOM 158 CB PRO A 11 114.136 3.359 11.167 1.00 0.65 C ATOM 159 CG PRO A 11 113.870 2.877 9.720 1.00 0.61 C ATOM 160 CD PRO A 11 112.350 2.978 9.496 1.00 0.51 C ATOM 0 HA PRO A 11 112.672 4.100 12.625 1.00 0.57 H new ATOM 0 HB2 PRO A 11 115.053 3.945 11.219 1.00 0.65 H new ATOM 0 HB3 PRO A 11 114.261 2.512 11.842 1.00 0.65 H new ATOM 0 HG2 PRO A 11 114.410 3.493 9.001 1.00 0.61 H new ATOM 0 HG3 PRO A 11 114.215 1.852 9.583 1.00 0.61 H new ATOM 0 HD2 PRO A 11 112.118 3.494 8.564 1.00 0.51 H new ATOM 0 HD3 PRO A 11 111.890 1.992 9.437 1.00 0.51 H new ATOM 168 N SER A 12 113.511 6.415 12.386 1.00 0.65 N ATOM 169 CA SER A 12 113.787 7.870 12.228 1.00 0.65 C ATOM 170 C SER A 12 114.806 8.077 11.106 1.00 0.62 C ATOM 171 O SER A 12 114.849 9.116 10.477 1.00 0.61 O ATOM 172 CB SER A 12 114.351 8.427 13.537 1.00 0.76 C ATOM 173 OG SER A 12 115.557 7.745 13.856 1.00 1.24 O ATOM 0 H SER A 12 113.588 6.059 13.339 1.00 0.65 H new ATOM 0 HA SER A 12 112.862 8.390 11.980 1.00 0.65 H new ATOM 0 HB2 SER A 12 114.539 9.496 13.440 1.00 0.76 H new ATOM 0 HB3 SER A 12 113.626 8.303 14.341 1.00 0.76 H new ATOM 0 HG SER A 12 115.922 8.100 14.693 1.00 1.24 H new ATOM 179 N GLU A 13 115.627 7.096 10.848 1.00 0.65 N ATOM 180 CA GLU A 13 116.642 7.238 9.767 1.00 0.65 C ATOM 181 C GLU A 13 115.935 7.446 8.426 1.00 0.61 C ATOM 182 O GLU A 13 116.302 8.303 7.647 1.00 0.77 O ATOM 183 CB GLU A 13 117.497 5.971 9.699 1.00 0.74 C ATOM 184 CG GLU A 13 118.894 6.325 9.186 1.00 1.07 C ATOM 185 CD GLU A 13 119.896 6.256 10.340 1.00 1.37 C ATOM 186 OE1 GLU A 13 119.825 7.106 11.211 1.00 2.06 O ATOM 187 OE2 GLU A 13 120.717 5.353 10.332 1.00 1.85 O ATOM 0 H GLU A 13 115.638 6.202 11.339 1.00 0.65 H new ATOM 0 HA GLU A 13 117.279 8.096 9.980 1.00 0.65 H new ATOM 0 HB2 GLU A 13 117.566 5.512 10.685 1.00 0.74 H new ATOM 0 HB3 GLU A 13 117.030 5.240 9.039 1.00 0.74 H new ATOM 0 HG2 GLU A 13 119.187 5.636 8.394 1.00 1.07 H new ATOM 0 HG3 GLU A 13 118.891 7.325 8.753 1.00 1.07 H new ATOM 194 N LEU A 14 114.923 6.669 8.151 1.00 0.55 N ATOM 195 CA LEU A 14 114.195 6.823 6.860 1.00 0.54 C ATOM 196 C LEU A 14 113.024 7.791 7.041 1.00 0.49 C ATOM 197 O LEU A 14 112.285 8.064 6.116 1.00 0.53 O ATOM 198 CB LEU A 14 113.665 5.462 6.407 1.00 0.61 C ATOM 199 CG LEU A 14 114.674 4.813 5.460 1.00 0.70 C ATOM 200 CD1 LEU A 14 115.026 3.415 5.969 1.00 1.36 C ATOM 201 CD2 LEU A 14 114.063 4.706 4.061 1.00 1.39 C ATOM 0 H LEU A 14 114.569 5.935 8.764 1.00 0.55 H new ATOM 0 HA LEU A 14 114.877 7.218 6.107 1.00 0.54 H new ATOM 0 HB2 LEU A 14 113.496 4.820 7.271 1.00 0.61 H new ATOM 0 HB3 LEU A 14 112.705 5.582 5.906 1.00 0.61 H new ATOM 0 HG LEU A 14 115.577 5.422 5.418 1.00 0.70 H new ATOM 0 HD11 LEU A 14 115.746 2.952 5.294 1.00 1.36 H new ATOM 0 HD12 LEU A 14 115.460 3.489 6.966 1.00 1.36 H new ATOM 0 HD13 LEU A 14 114.124 2.805 6.011 1.00 1.36 H new ATOM 0 HD21 LEU A 14 114.782 4.243 3.385 1.00 1.39 H new ATOM 0 HD22 LEU A 14 113.160 4.096 4.104 1.00 1.39 H new ATOM 0 HD23 LEU A 14 113.811 5.702 3.697 1.00 1.39 H new ATOM 213 N LEU A 15 112.848 8.314 8.224 1.00 0.48 N ATOM 214 CA LEU A 15 111.725 9.265 8.455 1.00 0.49 C ATOM 215 C LEU A 15 112.145 10.667 8.011 1.00 0.56 C ATOM 216 O LEU A 15 111.454 11.637 8.251 1.00 0.70 O ATOM 217 CB LEU A 15 111.371 9.285 9.944 1.00 0.53 C ATOM 218 CG LEU A 15 110.687 7.971 10.324 1.00 0.51 C ATOM 219 CD1 LEU A 15 110.592 7.865 11.847 1.00 0.66 C ATOM 220 CD2 LEU A 15 109.279 7.939 9.723 1.00 0.56 C ATOM 0 H LEU A 15 113.432 8.124 9.038 1.00 0.48 H new ATOM 0 HA LEU A 15 110.855 8.947 7.880 1.00 0.49 H new ATOM 0 HB2 LEU A 15 112.272 9.424 10.541 1.00 0.53 H new ATOM 0 HB3 LEU A 15 110.712 10.126 10.161 1.00 0.53 H new ATOM 0 HG LEU A 15 111.269 7.134 9.938 1.00 0.51 H new ATOM 0 HD11 LEU A 15 110.104 6.928 12.117 1.00 0.66 H new ATOM 0 HD12 LEU A 15 111.593 7.890 12.277 1.00 0.66 H new ATOM 0 HD13 LEU A 15 110.010 8.701 12.234 1.00 0.66 H new ATOM 0 HD21 LEU A 15 108.790 7.003 9.993 1.00 0.56 H new ATOM 0 HD22 LEU A 15 108.699 8.777 10.110 1.00 0.56 H new ATOM 0 HD23 LEU A 15 109.345 8.014 8.638 1.00 0.56 H new ATOM 232 N SER A 16 113.273 10.782 7.365 1.00 0.57 N ATOM 233 CA SER A 16 113.736 12.122 6.907 1.00 0.67 C ATOM 234 C SER A 16 113.028 12.487 5.600 1.00 0.67 C ATOM 235 O SER A 16 113.026 13.628 5.183 1.00 0.90 O ATOM 236 CB SER A 16 115.247 12.088 6.676 1.00 0.75 C ATOM 237 OG SER A 16 115.911 12.507 7.861 1.00 1.42 O ATOM 0 H SER A 16 113.894 10.006 7.135 1.00 0.57 H new ATOM 0 HA SER A 16 113.502 12.867 7.668 1.00 0.67 H new ATOM 0 HB2 SER A 16 115.563 11.081 6.405 1.00 0.75 H new ATOM 0 HB3 SER A 16 115.515 12.741 5.845 1.00 0.75 H new ATOM 0 HG SER A 16 116.880 12.485 7.718 1.00 1.42 H new ATOM 243 N PHE A 17 112.422 11.529 4.952 1.00 0.58 N ATOM 244 CA PHE A 17 111.713 11.829 3.676 1.00 0.63 C ATOM 245 C PHE A 17 110.592 10.810 3.455 1.00 0.58 C ATOM 246 O PHE A 17 110.730 9.878 2.687 1.00 0.74 O ATOM 247 CB PHE A 17 112.700 11.768 2.506 1.00 0.77 C ATOM 248 CG PHE A 17 113.733 10.688 2.746 1.00 0.58 C ATOM 249 CD1 PHE A 17 113.399 9.536 3.472 1.00 0.67 C ATOM 250 CD2 PHE A 17 115.027 10.837 2.232 1.00 0.50 C ATOM 251 CE1 PHE A 17 114.358 8.540 3.683 1.00 0.58 C ATOM 252 CE2 PHE A 17 115.985 9.840 2.442 1.00 0.49 C ATOM 253 CZ PHE A 17 115.651 8.691 3.169 1.00 0.46 C ATOM 0 H PHE A 17 112.387 10.554 5.250 1.00 0.58 H new ATOM 0 HA PHE A 17 111.285 12.830 3.733 1.00 0.63 H new ATOM 0 HB2 PHE A 17 112.163 11.568 1.579 1.00 0.77 H new ATOM 0 HB3 PHE A 17 113.193 12.733 2.387 1.00 0.77 H new ATOM 0 HD1 PHE A 17 112.401 9.418 3.868 1.00 0.67 H new ATOM 0 HD2 PHE A 17 115.286 11.724 1.672 1.00 0.50 H new ATOM 0 HE1 PHE A 17 114.100 7.653 4.243 1.00 0.58 H new ATOM 0 HE2 PHE A 17 116.982 9.956 2.044 1.00 0.49 H new ATOM 0 HZ PHE A 17 116.391 7.922 3.333 1.00 0.46 H new ATOM 263 N LEU A 18 109.482 10.981 4.119 1.00 0.48 N ATOM 264 CA LEU A 18 108.353 10.024 3.944 1.00 0.50 C ATOM 265 C LEU A 18 107.035 10.798 3.877 1.00 0.53 C ATOM 266 O LEU A 18 107.014 12.012 3.911 1.00 0.76 O ATOM 267 CB LEU A 18 108.317 9.055 5.128 1.00 0.49 C ATOM 268 CG LEU A 18 108.987 7.738 4.730 1.00 0.66 C ATOM 269 CD1 LEU A 18 109.310 6.929 5.987 1.00 1.27 C ATOM 270 CD2 LEU A 18 108.039 6.934 3.837 1.00 1.18 C ATOM 0 H LEU A 18 109.308 11.742 4.775 1.00 0.48 H new ATOM 0 HA LEU A 18 108.492 9.463 3.020 1.00 0.50 H new ATOM 0 HB2 LEU A 18 108.830 9.492 5.985 1.00 0.49 H new ATOM 0 HB3 LEU A 18 107.286 8.874 5.432 1.00 0.49 H new ATOM 0 HG LEU A 18 109.908 7.949 4.187 1.00 0.66 H new ATOM 0 HD11 LEU A 18 109.787 5.991 5.703 1.00 1.27 H new ATOM 0 HD12 LEU A 18 109.984 7.501 6.624 1.00 1.27 H new ATOM 0 HD13 LEU A 18 108.389 6.718 6.530 1.00 1.27 H new ATOM 0 HD21 LEU A 18 108.515 5.996 3.553 1.00 1.18 H new ATOM 0 HD22 LEU A 18 107.118 6.724 4.381 1.00 1.18 H new ATOM 0 HD23 LEU A 18 107.808 7.510 2.941 1.00 1.18 H new ATOM 282 N SER A 19 105.933 10.105 3.780 1.00 0.56 N ATOM 283 CA SER A 19 104.618 10.803 3.710 1.00 0.60 C ATOM 284 C SER A 19 104.026 10.925 5.116 1.00 0.68 C ATOM 285 O SER A 19 103.599 11.984 5.530 1.00 1.40 O ATOM 286 CB SER A 19 103.663 10.004 2.823 1.00 0.76 C ATOM 287 OG SER A 19 102.369 10.589 2.879 1.00 1.58 O ATOM 0 H SER A 19 105.887 9.087 3.746 1.00 0.56 H new ATOM 0 HA SER A 19 104.759 11.798 3.289 1.00 0.60 H new ATOM 0 HB2 SER A 19 104.026 9.994 1.795 1.00 0.76 H new ATOM 0 HB3 SER A 19 103.621 8.967 3.156 1.00 0.76 H new ATOM 0 HG SER A 19 101.755 10.080 2.310 1.00 1.58 H new ATOM 293 N HIS A 20 103.998 9.849 5.854 1.00 0.64 N ATOM 294 CA HIS A 20 103.434 9.905 7.232 1.00 0.65 C ATOM 295 C HIS A 20 101.920 10.116 7.157 1.00 0.71 C ATOM 296 O HIS A 20 101.349 10.862 7.928 1.00 1.24 O ATOM 297 CB HIS A 20 104.074 11.064 7.999 1.00 0.73 C ATOM 298 CG HIS A 20 105.564 11.035 7.799 1.00 0.72 C ATOM 299 ND1 HIS A 20 106.335 9.936 8.145 1.00 0.67 N ATOM 300 CD2 HIS A 20 106.440 11.962 7.291 1.00 0.91 C ATOM 301 CE1 HIS A 20 107.613 10.226 7.843 1.00 0.72 C ATOM 302 NE2 HIS A 20 107.734 11.449 7.319 1.00 0.88 N ATOM 0 H HIS A 20 104.341 8.934 5.562 1.00 0.64 H new ATOM 0 HA HIS A 20 103.644 8.968 7.748 1.00 0.65 H new ATOM 0 HB2 HIS A 20 103.668 12.013 7.650 1.00 0.73 H new ATOM 0 HB3 HIS A 20 103.837 10.987 9.060 1.00 0.73 H new ATOM 0 HD2 HIS A 20 106.167 12.941 6.925 1.00 0.91 H new ATOM 0 HE1 HIS A 20 108.441 9.552 8.004 1.00 0.72 H new ATOM 0 HE2 HIS A 20 108.590 11.908 7.007 1.00 0.88 H new ATOM 310 N ALA A 21 101.266 9.466 6.234 1.00 0.70 N ATOM 311 CA ALA A 21 99.790 9.630 6.111 1.00 0.74 C ATOM 312 C ALA A 21 99.209 8.447 5.333 1.00 0.73 C ATOM 313 O ALA A 21 99.856 7.879 4.475 1.00 0.98 O ATOM 314 CB ALA A 21 99.482 10.931 5.367 1.00 0.83 C ATOM 0 H ALA A 21 101.690 8.829 5.560 1.00 0.70 H new ATOM 0 HA ALA A 21 99.344 9.666 7.105 1.00 0.74 H new ATOM 0 HB1 ALA A 21 98.402 11.052 5.277 1.00 0.83 H new ATOM 0 HB2 ALA A 21 99.896 11.774 5.921 1.00 0.83 H new ATOM 0 HB3 ALA A 21 99.928 10.896 4.373 1.00 0.83 H new ATOM 320 N VAL A 22 97.995 8.071 5.625 1.00 0.72 N ATOM 321 CA VAL A 22 97.376 6.923 4.900 1.00 0.78 C ATOM 322 C VAL A 22 96.161 7.418 4.115 1.00 0.74 C ATOM 323 O VAL A 22 95.858 6.928 3.045 1.00 0.83 O ATOM 324 CB VAL A 22 96.927 5.843 5.895 1.00 0.99 C ATOM 325 CG1 VAL A 22 97.341 4.467 5.371 1.00 1.14 C ATOM 326 CG2 VAL A 22 97.579 6.077 7.262 1.00 1.16 C ATOM 0 H VAL A 22 97.404 8.507 6.333 1.00 0.72 H new ATOM 0 HA VAL A 22 98.113 6.496 4.220 1.00 0.78 H new ATOM 0 HB VAL A 22 95.843 5.891 6.003 1.00 0.99 H new ATOM 0 HG11 VAL A 22 97.023 3.699 6.076 1.00 1.14 H new ATOM 0 HG12 VAL A 22 96.871 4.289 4.404 1.00 1.14 H new ATOM 0 HG13 VAL A 22 98.425 4.431 5.259 1.00 1.14 H new ATOM 0 HG21 VAL A 22 97.252 5.304 7.958 1.00 1.16 H new ATOM 0 HG22 VAL A 22 98.663 6.038 7.159 1.00 1.16 H new ATOM 0 HG23 VAL A 22 97.286 7.055 7.642 1.00 1.16 H new ATOM 336 N PHE A 23 95.461 8.384 4.640 1.00 0.79 N ATOM 337 CA PHE A 23 94.264 8.911 3.928 1.00 0.84 C ATOM 338 C PHE A 23 94.555 10.323 3.415 1.00 0.90 C ATOM 339 O PHE A 23 93.823 11.255 3.684 1.00 1.43 O ATOM 340 CB PHE A 23 93.075 8.952 4.891 1.00 0.96 C ATOM 341 CG PHE A 23 92.963 7.631 5.616 1.00 1.14 C ATOM 342 CD1 PHE A 23 93.462 6.462 5.027 1.00 1.29 C ATOM 343 CD2 PHE A 23 92.360 7.575 6.878 1.00 2.06 C ATOM 344 CE1 PHE A 23 93.356 5.239 5.700 1.00 1.49 C ATOM 345 CE2 PHE A 23 92.254 6.352 7.551 1.00 2.41 C ATOM 346 CZ PHE A 23 92.752 5.184 6.962 1.00 1.85 C ATOM 0 H PHE A 23 95.666 8.832 5.533 1.00 0.79 H new ATOM 0 HA PHE A 23 94.027 8.261 3.086 1.00 0.84 H new ATOM 0 HB2 PHE A 23 93.203 9.762 5.609 1.00 0.96 H new ATOM 0 HB3 PHE A 23 92.156 9.156 4.341 1.00 0.96 H new ATOM 0 HD1 PHE A 23 93.928 6.504 4.054 1.00 1.29 H new ATOM 0 HD2 PHE A 23 91.976 8.476 7.333 1.00 2.06 H new ATOM 0 HE1 PHE A 23 93.740 4.338 5.246 1.00 1.49 H new ATOM 0 HE2 PHE A 23 91.788 6.310 8.524 1.00 2.41 H new ATOM 0 HZ PHE A 23 92.670 4.240 7.481 1.00 1.85 H new ATOM 356 N SER A 24 95.618 10.489 2.678 1.00 0.72 N ATOM 357 CA SER A 24 95.954 11.841 2.148 1.00 0.75 C ATOM 358 C SER A 24 95.033 12.170 0.972 1.00 0.71 C ATOM 359 O SER A 24 94.346 11.315 0.450 1.00 0.80 O ATOM 360 CB SER A 24 97.409 11.857 1.677 1.00 0.80 C ATOM 361 OG SER A 24 98.003 13.098 2.032 1.00 1.50 O ATOM 0 H SER A 24 96.269 9.747 2.420 1.00 0.72 H new ATOM 0 HA SER A 24 95.819 12.584 2.934 1.00 0.75 H new ATOM 0 HB2 SER A 24 97.960 11.034 2.132 1.00 0.80 H new ATOM 0 HB3 SER A 24 97.456 11.714 0.597 1.00 0.80 H new ATOM 0 HG SER A 24 98.936 13.111 1.733 1.00 1.50 H new ATOM 367 N ASN A 25 95.014 13.405 0.549 1.00 0.75 N ATOM 368 CA ASN A 25 94.137 13.787 -0.593 1.00 0.77 C ATOM 369 C ASN A 25 94.976 13.892 -1.868 1.00 0.72 C ATOM 370 O ASN A 25 94.587 14.527 -2.828 1.00 1.24 O ATOM 371 CB ASN A 25 93.479 15.137 -0.302 1.00 0.97 C ATOM 372 CG ASN A 25 91.969 14.946 -0.144 1.00 1.64 C ATOM 373 OD1 ASN A 25 91.419 13.962 -0.597 1.00 2.39 O ATOM 374 ND2 ASN A 25 91.271 15.853 0.483 1.00 2.29 N ATOM 0 H ASN A 25 95.568 14.165 0.945 1.00 0.75 H new ATOM 0 HA ASN A 25 93.365 13.029 -0.728 1.00 0.77 H new ATOM 0 HB2 ASN A 25 93.898 15.570 0.606 1.00 0.97 H new ATOM 0 HB3 ASN A 25 93.685 15.836 -1.113 1.00 0.97 H new ATOM 0 HD21 ASN A 25 90.264 15.736 0.593 1.00 2.29 H new ATOM 0 HD22 ASN A 25 91.733 16.679 0.863 1.00 2.29 H new ATOM 381 N ARG A 26 96.125 13.274 -1.885 1.00 0.92 N ATOM 382 CA ARG A 26 96.988 13.339 -3.098 1.00 0.91 C ATOM 383 C ARG A 26 97.195 11.928 -3.652 1.00 0.76 C ATOM 384 O ARG A 26 97.210 10.959 -2.920 1.00 0.90 O ATOM 385 CB ARG A 26 98.343 13.945 -2.729 1.00 1.08 C ATOM 386 CG ARG A 26 98.412 15.388 -3.232 1.00 1.58 C ATOM 387 CD ARG A 26 99.827 15.932 -3.031 1.00 2.12 C ATOM 388 NE ARG A 26 99.809 17.418 -3.140 1.00 2.63 N ATOM 389 CZ ARG A 26 100.475 18.143 -2.284 1.00 3.06 C ATOM 390 NH1 ARG A 26 101.752 17.936 -2.108 1.00 3.65 N ATOM 391 NH2 ARG A 26 99.865 19.074 -1.603 1.00 3.46 N ATOM 0 H ARG A 26 96.503 12.727 -1.112 1.00 0.92 H new ATOM 0 HA ARG A 26 96.506 13.960 -3.853 1.00 0.91 H new ATOM 0 HB2 ARG A 26 98.483 13.919 -1.648 1.00 1.08 H new ATOM 0 HB3 ARG A 26 99.148 13.357 -3.169 1.00 1.08 H new ATOM 0 HG2 ARG A 26 98.142 15.430 -4.287 1.00 1.58 H new ATOM 0 HG3 ARG A 26 97.694 16.006 -2.694 1.00 1.58 H new ATOM 0 HD2 ARG A 26 100.207 15.633 -2.054 1.00 2.12 H new ATOM 0 HD3 ARG A 26 100.500 15.510 -3.778 1.00 2.12 H new ATOM 0 HE ARG A 26 99.276 17.868 -3.884 1.00 2.63 H new ATOM 0 HH11 ARG A 26 102.229 17.208 -2.640 1.00 3.65 H new ATOM 0 HH12 ARG A 26 102.273 18.503 -1.439 1.00 3.65 H new ATOM 0 HH21 ARG A 26 98.867 19.235 -1.740 1.00 3.46 H new ATOM 0 HH22 ARG A 26 100.386 19.641 -0.934 1.00 3.46 H new ATOM 405 N THR A 27 97.355 11.805 -4.941 1.00 0.62 N ATOM 406 CA THR A 27 97.560 10.456 -5.540 1.00 0.52 C ATOM 407 C THR A 27 99.059 10.190 -5.694 1.00 0.50 C ATOM 408 O THR A 27 99.754 10.889 -6.405 1.00 0.70 O ATOM 409 CB THR A 27 96.888 10.400 -6.914 1.00 0.59 C ATOM 410 OG1 THR A 27 97.330 11.496 -7.701 1.00 0.73 O ATOM 411 CG2 THR A 27 95.369 10.470 -6.744 1.00 0.78 C ATOM 0 H THR A 27 97.353 12.579 -5.605 1.00 0.62 H new ATOM 0 HA THR A 27 97.121 9.699 -4.890 1.00 0.52 H new ATOM 0 HB THR A 27 97.153 9.467 -7.411 1.00 0.59 H new ATOM 0 HG1 THR A 27 98.242 11.740 -7.439 1.00 0.73 H new ATOM 0 HG21 THR A 27 94.891 10.430 -7.723 1.00 0.78 H new ATOM 0 HG22 THR A 27 95.031 9.627 -6.141 1.00 0.78 H new ATOM 0 HG23 THR A 27 95.101 11.402 -6.247 1.00 0.78 H new ATOM 419 N LEU A 28 99.564 9.185 -5.031 1.00 0.50 N ATOM 420 CA LEU A 28 101.017 8.875 -5.138 1.00 0.55 C ATOM 421 C LEU A 28 101.216 7.660 -6.047 1.00 0.49 C ATOM 422 O LEU A 28 100.362 6.803 -6.151 1.00 0.64 O ATOM 423 CB LEU A 28 101.575 8.566 -3.747 1.00 0.77 C ATOM 424 CG LEU A 28 101.700 9.861 -2.943 1.00 0.63 C ATOM 425 CD1 LEU A 28 100.608 9.905 -1.872 1.00 1.28 C ATOM 426 CD2 LEU A 28 103.073 9.912 -2.270 1.00 1.33 C ATOM 0 H LEU A 28 99.032 8.565 -4.420 1.00 0.50 H new ATOM 0 HA LEU A 28 101.541 9.733 -5.559 1.00 0.55 H new ATOM 0 HB2 LEU A 28 100.919 7.867 -3.229 1.00 0.77 H new ATOM 0 HB3 LEU A 28 102.549 8.085 -3.834 1.00 0.77 H new ATOM 0 HG LEU A 28 101.589 10.715 -3.611 1.00 0.63 H new ATOM 0 HD11 LEU A 28 100.697 10.828 -1.299 1.00 1.28 H new ATOM 0 HD12 LEU A 28 99.629 9.867 -2.349 1.00 1.28 H new ATOM 0 HD13 LEU A 28 100.719 9.051 -1.204 1.00 1.28 H new ATOM 0 HD21 LEU A 28 103.163 10.835 -1.697 1.00 1.33 H new ATOM 0 HD22 LEU A 28 103.183 9.058 -1.602 1.00 1.33 H new ATOM 0 HD23 LEU A 28 103.853 9.880 -3.031 1.00 1.33 H new ATOM 438 N ALA A 29 102.342 7.577 -6.701 1.00 0.47 N ATOM 439 CA ALA A 29 102.603 6.416 -7.598 1.00 0.45 C ATOM 440 C ALA A 29 103.846 5.671 -7.105 1.00 0.45 C ATOM 441 O ALA A 29 104.433 4.878 -7.812 1.00 0.62 O ATOM 442 CB ALA A 29 102.837 6.913 -9.026 1.00 0.56 C ATOM 0 H ALA A 29 103.094 8.265 -6.653 1.00 0.47 H new ATOM 0 HA ALA A 29 101.744 5.745 -7.588 1.00 0.45 H new ATOM 0 HB1 ALA A 29 103.028 6.063 -9.681 1.00 0.56 H new ATOM 0 HB2 ALA A 29 101.954 7.448 -9.374 1.00 0.56 H new ATOM 0 HB3 ALA A 29 103.697 7.583 -9.042 1.00 0.56 H new ATOM 448 N CYS A 30 104.247 5.922 -5.890 1.00 0.40 N ATOM 449 CA CYS A 30 105.445 5.232 -5.333 1.00 0.41 C ATOM 450 C CYS A 30 105.174 4.900 -3.867 1.00 0.37 C ATOM 451 O CYS A 30 104.715 5.734 -3.112 1.00 0.42 O ATOM 452 CB CYS A 30 106.665 6.151 -5.433 1.00 0.55 C ATOM 453 SG CYS A 30 108.023 5.466 -4.449 1.00 0.75 S ATOM 0 H CYS A 30 103.794 6.579 -5.255 1.00 0.40 H new ATOM 0 HA CYS A 30 105.644 4.319 -5.895 1.00 0.41 H new ATOM 0 HB2 CYS A 30 106.972 6.253 -6.474 1.00 0.55 H new ATOM 0 HB3 CYS A 30 106.411 7.149 -5.076 1.00 0.55 H new ATOM 0 HG CYS A 30 107.793 4.209 -4.208 1.00 0.75 H new ATOM 459 N PHE A 31 105.438 3.693 -3.452 1.00 0.35 N ATOM 460 CA PHE A 31 105.169 3.344 -2.030 1.00 0.40 C ATOM 461 C PHE A 31 106.280 2.446 -1.484 1.00 0.37 C ATOM 462 O PHE A 31 106.871 1.656 -2.198 1.00 0.42 O ATOM 463 CB PHE A 31 103.829 2.612 -1.931 1.00 0.51 C ATOM 464 CG PHE A 31 102.800 3.295 -2.805 1.00 0.50 C ATOM 465 CD1 PHE A 31 102.928 3.262 -4.200 1.00 1.15 C ATOM 466 CD2 PHE A 31 101.714 3.957 -2.219 1.00 1.12 C ATOM 467 CE1 PHE A 31 101.973 3.891 -5.006 1.00 1.26 C ATOM 468 CE2 PHE A 31 100.758 4.584 -3.025 1.00 1.04 C ATOM 469 CZ PHE A 31 100.887 4.553 -4.418 1.00 0.60 C ATOM 0 H PHE A 31 105.823 2.943 -4.026 1.00 0.35 H new ATOM 0 HA PHE A 31 105.134 4.261 -1.442 1.00 0.40 H new ATOM 0 HB2 PHE A 31 103.949 1.574 -2.240 1.00 0.51 H new ATOM 0 HB3 PHE A 31 103.488 2.599 -0.896 1.00 0.51 H new ATOM 0 HD1 PHE A 31 103.764 2.751 -4.653 1.00 1.15 H new ATOM 0 HD2 PHE A 31 101.614 3.983 -1.144 1.00 1.12 H new ATOM 0 HE1 PHE A 31 102.073 3.866 -6.081 1.00 1.26 H new ATOM 0 HE2 PHE A 31 99.920 5.092 -2.572 1.00 1.04 H new ATOM 0 HZ PHE A 31 100.150 5.039 -5.040 1.00 0.60 H new ATOM 479 N ALA A 32 106.558 2.559 -0.213 1.00 0.41 N ATOM 480 CA ALA A 32 107.617 1.716 0.406 1.00 0.45 C ATOM 481 C ALA A 32 106.993 0.873 1.519 1.00 0.43 C ATOM 482 O ALA A 32 106.596 1.382 2.549 1.00 0.47 O ATOM 483 CB ALA A 32 108.706 2.612 0.999 1.00 0.54 C ATOM 0 H ALA A 32 106.093 3.204 0.426 1.00 0.41 H new ATOM 0 HA ALA A 32 108.058 1.066 -0.350 1.00 0.45 H new ATOM 0 HB1 ALA A 32 109.480 1.993 1.452 1.00 0.54 H new ATOM 0 HB2 ALA A 32 109.145 3.222 0.210 1.00 0.54 H new ATOM 0 HB3 ALA A 32 108.270 3.260 1.759 1.00 0.54 H new ATOM 489 N ILE A 33 106.897 -0.411 1.319 1.00 0.44 N ATOM 490 CA ILE A 33 106.296 -1.282 2.366 1.00 0.45 C ATOM 491 C ILE A 33 107.361 -1.642 3.402 1.00 0.46 C ATOM 492 O ILE A 33 108.491 -1.934 3.069 1.00 0.79 O ATOM 493 CB ILE A 33 105.755 -2.561 1.722 1.00 0.50 C ATOM 494 CG1 ILE A 33 104.494 -2.233 0.918 1.00 0.56 C ATOM 495 CG2 ILE A 33 105.411 -3.578 2.813 1.00 0.61 C ATOM 496 CD1 ILE A 33 104.488 -3.045 -0.378 1.00 1.04 C ATOM 0 H ILE A 33 107.208 -0.895 0.477 1.00 0.44 H new ATOM 0 HA ILE A 33 105.479 -0.751 2.854 1.00 0.45 H new ATOM 0 HB ILE A 33 106.512 -2.981 1.059 1.00 0.50 H new ATOM 0 HG12 ILE A 33 103.605 -2.461 1.506 1.00 0.56 H new ATOM 0 HG13 ILE A 33 104.461 -1.167 0.692 1.00 0.56 H new ATOM 0 HG21 ILE A 33 105.026 -4.488 2.353 1.00 0.61 H new ATOM 0 HG22 ILE A 33 106.307 -3.813 3.387 1.00 0.61 H new ATOM 0 HG23 ILE A 33 104.655 -3.158 3.476 1.00 0.61 H new ATOM 0 HD11 ILE A 33 103.590 -2.811 -0.950 1.00 1.04 H new ATOM 0 HD12 ILE A 33 105.370 -2.795 -0.968 1.00 1.04 H new ATOM 0 HD13 ILE A 33 104.500 -4.109 -0.141 1.00 1.04 H new ATOM 508 N TYR A 34 107.006 -1.631 4.656 1.00 0.31 N ATOM 509 CA TYR A 34 107.994 -1.980 5.714 1.00 0.32 C ATOM 510 C TYR A 34 107.403 -3.079 6.594 1.00 0.32 C ATOM 511 O TYR A 34 106.508 -2.840 7.381 1.00 0.37 O ATOM 512 CB TYR A 34 108.295 -0.746 6.566 1.00 0.36 C ATOM 513 CG TYR A 34 109.132 -1.148 7.758 1.00 0.35 C ATOM 514 CD1 TYR A 34 110.106 -2.144 7.626 1.00 1.42 C ATOM 515 CD2 TYR A 34 108.934 -0.523 8.994 1.00 1.05 C ATOM 516 CE1 TYR A 34 110.881 -2.515 8.729 1.00 1.46 C ATOM 517 CE2 TYR A 34 109.708 -0.893 10.098 1.00 1.02 C ATOM 518 CZ TYR A 34 110.683 -1.890 9.966 1.00 0.43 C ATOM 519 OH TYR A 34 111.448 -2.256 11.056 1.00 0.50 O ATOM 0 H TYR A 34 106.073 -1.395 4.994 1.00 0.31 H new ATOM 0 HA TYR A 34 108.919 -2.328 5.256 1.00 0.32 H new ATOM 0 HB2 TYR A 34 108.824 -0.001 5.972 1.00 0.36 H new ATOM 0 HB3 TYR A 34 107.365 -0.286 6.900 1.00 0.36 H new ATOM 0 HD1 TYR A 34 110.259 -2.626 6.672 1.00 1.42 H new ATOM 0 HD2 TYR A 34 108.183 0.246 9.095 1.00 1.05 H new ATOM 0 HE1 TYR A 34 111.633 -3.284 8.627 1.00 1.46 H new ATOM 0 HE2 TYR A 34 109.554 -0.410 11.052 1.00 1.02 H new ATOM 0 HH TYR A 34 111.556 -1.487 11.653 1.00 0.50 H new ATOM 529 N THR A 35 107.882 -4.284 6.464 1.00 0.35 N ATOM 530 CA THR A 35 107.323 -5.390 7.294 1.00 0.40 C ATOM 531 C THR A 35 108.305 -6.564 7.317 1.00 0.31 C ATOM 532 O THR A 35 109.337 -6.538 6.676 1.00 0.36 O ATOM 533 CB THR A 35 105.972 -5.857 6.714 1.00 0.55 C ATOM 534 OG1 THR A 35 106.069 -7.216 6.308 1.00 0.95 O ATOM 535 CG2 THR A 35 105.579 -4.997 5.507 1.00 0.34 C ATOM 0 H THR A 35 108.630 -4.551 5.825 1.00 0.35 H new ATOM 0 HA THR A 35 107.167 -5.027 8.310 1.00 0.40 H new ATOM 0 HB THR A 35 105.210 -5.755 7.486 1.00 0.55 H new ATOM 0 HG1 THR A 35 106.741 -7.299 5.599 1.00 0.95 H new ATOM 0 HG21 THR A 35 104.624 -5.341 5.111 1.00 0.34 H new ATOM 0 HG22 THR A 35 105.490 -3.955 5.816 1.00 0.34 H new ATOM 0 HG23 THR A 35 106.344 -5.082 4.735 1.00 0.34 H new ATOM 543 N THR A 36 107.986 -7.594 8.053 1.00 0.32 N ATOM 544 CA THR A 36 108.892 -8.774 8.123 1.00 0.33 C ATOM 545 C THR A 36 109.399 -9.111 6.719 1.00 0.28 C ATOM 546 O THR A 36 108.776 -8.783 5.729 1.00 0.29 O ATOM 547 CB THR A 36 108.126 -9.972 8.690 1.00 0.43 C ATOM 548 OG1 THR A 36 106.928 -10.159 7.950 1.00 0.73 O ATOM 549 CG2 THR A 36 107.785 -9.715 10.160 1.00 0.66 C ATOM 0 H THR A 36 107.135 -7.668 8.610 1.00 0.32 H new ATOM 0 HA THR A 36 109.739 -8.545 8.770 1.00 0.33 H new ATOM 0 HB THR A 36 108.744 -10.867 8.615 1.00 0.43 H new ATOM 0 HG1 THR A 36 106.437 -10.927 8.311 1.00 0.73 H new ATOM 0 HG21 THR A 36 107.240 -10.569 10.562 1.00 0.66 H new ATOM 0 HG22 THR A 36 108.705 -9.572 10.727 1.00 0.66 H new ATOM 0 HG23 THR A 36 107.167 -8.820 10.239 1.00 0.66 H new ATOM 557 N LYS A 37 110.526 -9.761 6.626 1.00 0.33 N ATOM 558 CA LYS A 37 111.075 -10.118 5.293 1.00 0.38 C ATOM 559 C LYS A 37 110.117 -11.074 4.576 1.00 0.36 C ATOM 560 O LYS A 37 109.818 -10.908 3.411 1.00 0.40 O ATOM 561 CB LYS A 37 112.431 -10.797 5.480 1.00 0.50 C ATOM 562 CG LYS A 37 112.226 -12.194 6.068 1.00 0.63 C ATOM 563 CD LYS A 37 113.581 -12.796 6.444 1.00 0.91 C ATOM 564 CE LYS A 37 113.386 -13.856 7.530 1.00 1.37 C ATOM 565 NZ LYS A 37 114.715 -14.360 7.978 1.00 1.92 N ATOM 0 H LYS A 37 111.091 -10.060 7.421 1.00 0.33 H new ATOM 0 HA LYS A 37 111.192 -9.216 4.692 1.00 0.38 H new ATOM 0 HB2 LYS A 37 112.950 -10.866 4.524 1.00 0.50 H new ATOM 0 HB3 LYS A 37 113.060 -10.201 6.142 1.00 0.50 H new ATOM 0 HG2 LYS A 37 111.584 -12.139 6.948 1.00 0.63 H new ATOM 0 HG3 LYS A 37 111.721 -12.834 5.344 1.00 0.63 H new ATOM 0 HD2 LYS A 37 114.049 -13.242 5.566 1.00 0.91 H new ATOM 0 HD3 LYS A 37 114.252 -12.014 6.800 1.00 0.91 H new ATOM 0 HE2 LYS A 37 112.843 -13.431 8.374 1.00 1.37 H new ATOM 0 HE3 LYS A 37 112.784 -14.679 7.145 1.00 1.37 H new ATOM 0 HZ1 LYS A 37 114.582 -15.080 8.716 1.00 1.92 H new ATOM 0 HZ2 LYS A 37 115.217 -14.780 7.170 1.00 1.92 H new ATOM 0 HZ3 LYS A 37 115.274 -13.571 8.361 1.00 1.92 H new ATOM 579 N GLU A 38 109.640 -12.079 5.261 1.00 0.36 N ATOM 580 CA GLU A 38 108.711 -13.047 4.619 1.00 0.40 C ATOM 581 C GLU A 38 107.540 -12.295 3.981 1.00 0.38 C ATOM 582 O GLU A 38 107.074 -12.643 2.914 1.00 0.51 O ATOM 583 CB GLU A 38 108.178 -14.018 5.676 1.00 0.46 C ATOM 584 CG GLU A 38 108.288 -15.451 5.153 1.00 1.24 C ATOM 585 CD GLU A 38 108.289 -16.427 6.332 1.00 1.81 C ATOM 586 OE1 GLU A 38 108.041 -15.985 7.442 1.00 2.44 O ATOM 587 OE2 GLU A 38 108.539 -17.599 6.105 1.00 2.37 O ATOM 0 H GLU A 38 109.856 -12.270 6.240 1.00 0.36 H new ATOM 0 HA GLU A 38 109.245 -13.602 3.848 1.00 0.40 H new ATOM 0 HB2 GLU A 38 108.745 -13.913 6.601 1.00 0.46 H new ATOM 0 HB3 GLU A 38 107.140 -13.784 5.910 1.00 0.46 H new ATOM 0 HG2 GLU A 38 107.454 -15.671 4.486 1.00 1.24 H new ATOM 0 HG3 GLU A 38 109.202 -15.567 4.570 1.00 1.24 H new ATOM 594 N LYS A 39 107.062 -11.268 4.627 1.00 0.31 N ATOM 595 CA LYS A 39 105.921 -10.493 4.063 1.00 0.33 C ATOM 596 C LYS A 39 106.348 -9.831 2.752 1.00 0.30 C ATOM 597 O LYS A 39 105.737 -10.020 1.719 1.00 0.34 O ATOM 598 CB LYS A 39 105.505 -9.412 5.062 1.00 0.38 C ATOM 599 CG LYS A 39 104.033 -9.593 5.433 1.00 1.10 C ATOM 600 CD LYS A 39 103.666 -8.611 6.546 1.00 1.24 C ATOM 601 CE LYS A 39 102.349 -9.041 7.194 1.00 1.66 C ATOM 602 NZ LYS A 39 102.636 -9.879 8.392 1.00 2.36 N ATOM 0 H LYS A 39 107.413 -10.931 5.523 1.00 0.31 H new ATOM 0 HA LYS A 39 105.083 -11.164 3.874 1.00 0.33 H new ATOM 0 HB2 LYS A 39 106.125 -9.471 5.956 1.00 0.38 H new ATOM 0 HB3 LYS A 39 105.662 -8.424 4.630 1.00 0.38 H new ATOM 0 HG2 LYS A 39 103.403 -9.423 4.560 1.00 1.10 H new ATOM 0 HG3 LYS A 39 103.852 -10.616 5.762 1.00 1.10 H new ATOM 0 HD2 LYS A 39 104.458 -8.580 7.294 1.00 1.24 H new ATOM 0 HD3 LYS A 39 103.572 -7.604 6.140 1.00 1.24 H new ATOM 0 HE2 LYS A 39 101.769 -8.164 7.481 1.00 1.66 H new ATOM 0 HE3 LYS A 39 101.746 -9.602 6.480 1.00 1.66 H new ATOM 0 HZ1 LYS A 39 101.868 -9.770 9.084 1.00 2.36 H new ATOM 0 HZ2 LYS A 39 102.707 -10.877 8.109 1.00 2.36 H new ATOM 0 HZ3 LYS A 39 103.534 -9.576 8.820 1.00 2.36 H new ATOM 616 N ALA A 40 107.389 -9.048 2.791 1.00 0.27 N ATOM 617 CA ALA A 40 107.859 -8.361 1.556 1.00 0.29 C ATOM 618 C ALA A 40 108.149 -9.390 0.460 1.00 0.28 C ATOM 619 O ALA A 40 108.100 -9.086 -0.715 1.00 0.35 O ATOM 620 CB ALA A 40 109.139 -7.585 1.870 1.00 0.35 C ATOM 0 H ALA A 40 107.937 -8.853 3.629 1.00 0.27 H new ATOM 0 HA ALA A 40 107.084 -7.678 1.208 1.00 0.29 H new ATOM 0 HB1 ALA A 40 109.488 -7.080 0.970 1.00 0.35 H new ATOM 0 HB2 ALA A 40 108.936 -6.846 2.645 1.00 0.35 H new ATOM 0 HB3 ALA A 40 109.907 -8.275 2.219 1.00 0.35 H new ATOM 626 N ALA A 41 108.457 -10.601 0.831 1.00 0.32 N ATOM 627 CA ALA A 41 108.757 -11.639 -0.196 1.00 0.34 C ATOM 628 C ALA A 41 107.481 -11.990 -0.963 1.00 0.33 C ATOM 629 O ALA A 41 107.513 -12.273 -2.144 1.00 0.40 O ATOM 630 CB ALA A 41 109.301 -12.894 0.490 1.00 0.41 C ATOM 0 H ALA A 41 108.514 -10.917 1.799 1.00 0.32 H new ATOM 0 HA ALA A 41 109.501 -11.252 -0.892 1.00 0.34 H new ATOM 0 HB1 ALA A 41 109.520 -13.653 -0.261 1.00 0.41 H new ATOM 0 HB2 ALA A 41 110.213 -12.646 1.032 1.00 0.41 H new ATOM 0 HB3 ALA A 41 108.557 -13.278 1.188 1.00 0.41 H new ATOM 636 N LEU A 42 106.358 -11.976 -0.302 1.00 0.33 N ATOM 637 CA LEU A 42 105.082 -12.309 -0.996 1.00 0.37 C ATOM 638 C LEU A 42 104.575 -11.079 -1.750 1.00 0.35 C ATOM 639 O LEU A 42 104.023 -11.181 -2.826 1.00 0.48 O ATOM 640 CB LEU A 42 104.037 -12.741 0.036 1.00 0.46 C ATOM 641 CG LEU A 42 104.384 -14.134 0.563 1.00 1.00 C ATOM 642 CD1 LEU A 42 104.151 -14.181 2.074 1.00 1.73 C ATOM 643 CD2 LEU A 42 103.492 -15.173 -0.122 1.00 1.53 C ATOM 0 H LEU A 42 106.268 -11.749 0.688 1.00 0.33 H new ATOM 0 HA LEU A 42 105.254 -13.122 -1.701 1.00 0.37 H new ATOM 0 HB2 LEU A 42 104.006 -12.027 0.859 1.00 0.46 H new ATOM 0 HB3 LEU A 42 103.045 -12.749 -0.416 1.00 0.46 H new ATOM 0 HG LEU A 42 105.430 -14.353 0.350 1.00 1.00 H new ATOM 0 HD11 LEU A 42 104.398 -15.174 2.450 1.00 1.73 H new ATOM 0 HD12 LEU A 42 104.784 -13.440 2.563 1.00 1.73 H new ATOM 0 HD13 LEU A 42 103.105 -13.962 2.288 1.00 1.73 H new ATOM 0 HD21 LEU A 42 103.738 -16.167 0.252 1.00 1.53 H new ATOM 0 HD22 LEU A 42 102.446 -14.953 0.092 1.00 1.53 H new ATOM 0 HD23 LEU A 42 103.656 -15.140 -1.199 1.00 1.53 H new ATOM 655 N LEU A 43 104.758 -9.915 -1.191 1.00 0.36 N ATOM 656 CA LEU A 43 104.286 -8.678 -1.872 1.00 0.38 C ATOM 657 C LEU A 43 105.255 -8.306 -2.991 1.00 0.36 C ATOM 658 O LEU A 43 104.930 -7.543 -3.878 1.00 0.45 O ATOM 659 CB LEU A 43 104.216 -7.536 -0.859 1.00 0.47 C ATOM 660 CG LEU A 43 103.398 -7.987 0.350 1.00 0.55 C ATOM 661 CD1 LEU A 43 103.084 -6.779 1.234 1.00 1.07 C ATOM 662 CD2 LEU A 43 102.092 -8.624 -0.133 1.00 0.76 C ATOM 0 H LEU A 43 105.215 -9.767 -0.291 1.00 0.36 H new ATOM 0 HA LEU A 43 103.297 -8.853 -2.295 1.00 0.38 H new ATOM 0 HB2 LEU A 43 105.220 -7.248 -0.547 1.00 0.47 H new ATOM 0 HB3 LEU A 43 103.760 -6.657 -1.315 1.00 0.47 H new ATOM 0 HG LEU A 43 103.968 -8.716 0.926 1.00 0.55 H new ATOM 0 HD11 LEU A 43 102.500 -7.101 2.096 1.00 1.07 H new ATOM 0 HD12 LEU A 43 104.015 -6.326 1.575 1.00 1.07 H new ATOM 0 HD13 LEU A 43 102.513 -6.048 0.662 1.00 1.07 H new ATOM 0 HD21 LEU A 43 101.505 -8.947 0.727 1.00 0.76 H new ATOM 0 HD22 LEU A 43 101.522 -7.894 -0.708 1.00 0.76 H new ATOM 0 HD23 LEU A 43 102.318 -9.485 -0.762 1.00 0.76 H new ATOM 674 N TYR A 44 106.445 -8.836 -2.959 1.00 0.41 N ATOM 675 CA TYR A 44 107.425 -8.505 -4.027 1.00 0.45 C ATOM 676 C TYR A 44 106.944 -9.097 -5.353 1.00 0.43 C ATOM 677 O TYR A 44 106.709 -8.389 -6.314 1.00 0.45 O ATOM 678 CB TYR A 44 108.795 -9.087 -3.667 1.00 0.56 C ATOM 679 CG TYR A 44 109.838 -8.584 -4.642 1.00 0.50 C ATOM 680 CD1 TYR A 44 109.794 -8.983 -5.981 1.00 1.13 C ATOM 681 CD2 TYR A 44 110.858 -7.730 -4.203 1.00 1.29 C ATOM 682 CE1 TYR A 44 110.762 -8.529 -6.882 1.00 1.14 C ATOM 683 CE2 TYR A 44 111.832 -7.280 -5.102 1.00 1.28 C ATOM 684 CZ TYR A 44 111.784 -7.679 -6.443 1.00 0.47 C ATOM 685 OH TYR A 44 112.744 -7.236 -7.330 1.00 0.50 O ATOM 0 H TYR A 44 106.779 -9.481 -2.243 1.00 0.41 H new ATOM 0 HA TYR A 44 107.511 -7.423 -4.122 1.00 0.45 H new ATOM 0 HB2 TYR A 44 109.066 -8.801 -2.651 1.00 0.56 H new ATOM 0 HB3 TYR A 44 108.756 -10.176 -3.692 1.00 0.56 H new ATOM 0 HD1 TYR A 44 109.010 -9.644 -6.321 1.00 1.13 H new ATOM 0 HD2 TYR A 44 110.893 -7.418 -3.170 1.00 1.29 H new ATOM 0 HE1 TYR A 44 110.721 -8.834 -7.917 1.00 1.14 H new ATOM 0 HE2 TYR A 44 112.620 -6.625 -4.761 1.00 1.28 H new ATOM 0 HH TYR A 44 113.028 -6.332 -7.080 1.00 0.50 H new ATOM 695 N LYS A 45 106.791 -10.391 -5.413 1.00 0.49 N ATOM 696 CA LYS A 45 106.324 -11.030 -6.675 1.00 0.55 C ATOM 697 C LYS A 45 104.859 -10.666 -6.930 1.00 0.46 C ATOM 698 O LYS A 45 104.413 -10.612 -8.059 1.00 0.60 O ATOM 699 CB LYS A 45 106.453 -12.550 -6.553 1.00 0.68 C ATOM 700 CG LYS A 45 107.425 -13.068 -7.615 1.00 1.22 C ATOM 701 CD LYS A 45 107.097 -14.528 -7.934 1.00 1.68 C ATOM 702 CE LYS A 45 108.276 -15.416 -7.535 1.00 2.21 C ATOM 703 NZ LYS A 45 108.109 -16.767 -8.143 1.00 2.83 N ATOM 0 H LYS A 45 106.969 -11.034 -4.642 1.00 0.49 H new ATOM 0 HA LYS A 45 106.934 -10.674 -7.505 1.00 0.55 H new ATOM 0 HB2 LYS A 45 106.810 -12.816 -5.558 1.00 0.68 H new ATOM 0 HB3 LYS A 45 105.477 -13.019 -6.678 1.00 0.68 H new ATOM 0 HG2 LYS A 45 107.352 -12.462 -8.518 1.00 1.22 H new ATOM 0 HG3 LYS A 45 108.451 -12.984 -7.257 1.00 1.22 H new ATOM 0 HD2 LYS A 45 106.199 -14.835 -7.398 1.00 1.68 H new ATOM 0 HD3 LYS A 45 106.887 -14.640 -8.998 1.00 1.68 H new ATOM 0 HE2 LYS A 45 109.212 -14.968 -7.869 1.00 2.21 H new ATOM 0 HE3 LYS A 45 108.332 -15.498 -6.450 1.00 2.21 H new ATOM 0 HZ1 LYS A 45 108.911 -17.371 -7.872 1.00 2.83 H new ATOM 0 HZ2 LYS A 45 107.223 -17.194 -7.803 1.00 2.83 H new ATOM 0 HZ3 LYS A 45 108.076 -16.680 -9.179 1.00 2.83 H new ATOM 717 N LYS A 46 104.104 -10.419 -5.893 1.00 0.33 N ATOM 718 CA LYS A 46 102.669 -10.066 -6.088 1.00 0.36 C ATOM 719 C LYS A 46 102.563 -8.703 -6.778 1.00 0.37 C ATOM 720 O LYS A 46 102.129 -8.604 -7.908 1.00 0.51 O ATOM 721 CB LYS A 46 101.966 -10.011 -4.730 1.00 0.43 C ATOM 722 CG LYS A 46 101.513 -11.419 -4.336 1.00 0.89 C ATOM 723 CD LYS A 46 100.242 -11.330 -3.489 1.00 1.20 C ATOM 724 CE LYS A 46 100.161 -12.544 -2.560 1.00 1.37 C ATOM 725 NZ LYS A 46 99.552 -13.690 -3.292 1.00 2.09 N ATOM 0 H LYS A 46 104.418 -10.446 -4.923 1.00 0.33 H new ATOM 0 HA LYS A 46 102.192 -10.823 -6.711 1.00 0.36 H new ATOM 0 HB2 LYS A 46 102.641 -9.609 -3.974 1.00 0.43 H new ATOM 0 HB3 LYS A 46 101.108 -9.341 -4.779 1.00 0.43 H new ATOM 0 HG2 LYS A 46 101.326 -12.015 -5.229 1.00 0.89 H new ATOM 0 HG3 LYS A 46 102.301 -11.922 -3.776 1.00 0.89 H new ATOM 0 HD2 LYS A 46 100.246 -10.411 -2.904 1.00 1.20 H new ATOM 0 HD3 LYS A 46 99.364 -11.293 -4.134 1.00 1.20 H new ATOM 0 HE2 LYS A 46 101.157 -12.812 -2.207 1.00 1.37 H new ATOM 0 HE3 LYS A 46 99.565 -12.303 -1.680 1.00 1.37 H new ATOM 0 HZ1 LYS A 46 99.497 -14.515 -2.661 1.00 2.09 H new ATOM 0 HZ2 LYS A 46 98.596 -13.431 -3.608 1.00 2.09 H new ATOM 0 HZ3 LYS A 46 100.138 -13.925 -4.118 1.00 2.09 H new ATOM 739 N ILE A 47 102.953 -7.652 -6.109 1.00 0.35 N ATOM 740 CA ILE A 47 102.872 -6.299 -6.732 1.00 0.40 C ATOM 741 C ILE A 47 103.610 -6.307 -8.075 1.00 0.36 C ATOM 742 O ILE A 47 103.313 -5.534 -8.964 1.00 0.40 O ATOM 743 CB ILE A 47 103.530 -5.272 -5.813 1.00 0.50 C ATOM 744 CG1 ILE A 47 102.865 -5.337 -4.417 1.00 0.71 C ATOM 745 CG2 ILE A 47 103.396 -3.880 -6.448 1.00 0.48 C ATOM 746 CD1 ILE A 47 102.200 -4.005 -4.037 1.00 0.44 C ATOM 0 H ILE A 47 103.324 -7.671 -5.159 1.00 0.35 H new ATOM 0 HA ILE A 47 101.825 -6.039 -6.887 1.00 0.40 H new ATOM 0 HB ILE A 47 104.591 -5.487 -5.686 1.00 0.50 H new ATOM 0 HG12 ILE A 47 102.119 -6.131 -4.407 1.00 0.71 H new ATOM 0 HG13 ILE A 47 103.615 -5.595 -3.669 1.00 0.71 H new ATOM 0 HG21 ILE A 47 103.863 -3.138 -5.800 1.00 0.48 H new ATOM 0 HG22 ILE A 47 103.889 -3.874 -7.420 1.00 0.48 H new ATOM 0 HG23 ILE A 47 102.341 -3.638 -6.575 1.00 0.48 H new ATOM 0 HD11 ILE A 47 101.745 -4.094 -3.050 1.00 0.44 H new ATOM 0 HD12 ILE A 47 102.951 -3.215 -4.021 1.00 0.44 H new ATOM 0 HD13 ILE A 47 101.431 -3.760 -4.770 1.00 0.44 H new ATOM 758 N MET A 48 104.581 -7.168 -8.220 1.00 0.38 N ATOM 759 CA MET A 48 105.356 -7.223 -9.495 1.00 0.45 C ATOM 760 C MET A 48 104.413 -7.114 -10.697 1.00 0.49 C ATOM 761 O MET A 48 104.764 -6.556 -11.718 1.00 0.80 O ATOM 762 CB MET A 48 106.118 -8.548 -9.568 1.00 0.53 C ATOM 763 CG MET A 48 107.310 -8.401 -10.515 1.00 0.93 C ATOM 764 SD MET A 48 108.049 -10.026 -10.814 1.00 1.51 S ATOM 765 CE MET A 48 109.542 -9.784 -9.821 1.00 1.44 C ATOM 0 H MET A 48 104.872 -7.838 -7.508 1.00 0.38 H new ATOM 0 HA MET A 48 106.057 -6.389 -9.519 1.00 0.45 H new ATOM 0 HB2 MET A 48 106.463 -8.836 -8.575 1.00 0.53 H new ATOM 0 HB3 MET A 48 105.457 -9.341 -9.919 1.00 0.53 H new ATOM 0 HG2 MET A 48 106.987 -7.958 -11.457 1.00 0.93 H new ATOM 0 HG3 MET A 48 108.050 -7.727 -10.083 1.00 0.93 H new ATOM 0 HE1 MET A 48 110.376 -10.312 -10.283 1.00 1.44 H new ATOM 0 HE2 MET A 48 109.773 -8.720 -9.764 1.00 1.44 H new ATOM 0 HE3 MET A 48 109.378 -10.174 -8.816 1.00 1.44 H new ATOM 775 N GLU A 49 103.227 -7.647 -10.597 1.00 0.55 N ATOM 776 CA GLU A 49 102.284 -7.573 -11.750 1.00 0.61 C ATOM 777 C GLU A 49 100.969 -6.923 -11.314 1.00 0.57 C ATOM 778 O GLU A 49 100.051 -6.778 -12.096 1.00 0.69 O ATOM 779 CB GLU A 49 102.004 -8.985 -12.267 1.00 0.80 C ATOM 780 CG GLU A 49 102.425 -9.086 -13.735 1.00 1.22 C ATOM 781 CD GLU A 49 102.283 -10.533 -14.208 1.00 1.91 C ATOM 782 OE1 GLU A 49 101.169 -10.931 -14.509 1.00 2.43 O ATOM 783 OE2 GLU A 49 103.290 -11.220 -14.262 1.00 2.64 O ATOM 0 H GLU A 49 102.870 -8.129 -9.772 1.00 0.55 H new ATOM 0 HA GLU A 49 102.734 -6.972 -12.540 1.00 0.61 H new ATOM 0 HB2 GLU A 49 102.549 -9.717 -11.671 1.00 0.80 H new ATOM 0 HB3 GLU A 49 100.944 -9.217 -12.165 1.00 0.80 H new ATOM 0 HG2 GLU A 49 101.807 -8.430 -14.348 1.00 1.22 H new ATOM 0 HG3 GLU A 49 103.456 -8.753 -13.852 1.00 1.22 H new ATOM 790 N LYS A 50 100.864 -6.533 -10.074 1.00 0.62 N ATOM 791 CA LYS A 50 99.600 -5.899 -9.602 1.00 0.65 C ATOM 792 C LYS A 50 99.675 -4.383 -9.798 1.00 0.54 C ATOM 793 O LYS A 50 98.667 -3.712 -9.896 1.00 0.58 O ATOM 794 CB LYS A 50 99.393 -6.213 -8.120 1.00 0.77 C ATOM 795 CG LYS A 50 97.986 -5.777 -7.699 1.00 0.90 C ATOM 796 CD LYS A 50 97.367 -6.821 -6.760 1.00 1.17 C ATOM 797 CE LYS A 50 98.422 -7.338 -5.778 1.00 0.89 C ATOM 798 NZ LYS A 50 98.783 -8.740 -6.131 1.00 1.33 N ATOM 0 H LYS A 50 101.595 -6.625 -9.369 1.00 0.62 H new ATOM 0 HA LYS A 50 98.764 -6.294 -10.178 1.00 0.65 H new ATOM 0 HB2 LYS A 50 99.524 -7.280 -7.941 1.00 0.77 H new ATOM 0 HB3 LYS A 50 100.141 -5.695 -7.519 1.00 0.77 H new ATOM 0 HG2 LYS A 50 98.031 -4.809 -7.199 1.00 0.90 H new ATOM 0 HG3 LYS A 50 97.357 -5.652 -8.580 1.00 0.90 H new ATOM 0 HD2 LYS A 50 96.534 -6.380 -6.212 1.00 1.17 H new ATOM 0 HD3 LYS A 50 96.963 -7.650 -7.341 1.00 1.17 H new ATOM 0 HE2 LYS A 50 99.308 -6.703 -5.811 1.00 0.89 H new ATOM 0 HE3 LYS A 50 98.038 -7.295 -4.759 1.00 0.89 H new ATOM 0 HZ1 LYS A 50 98.632 -9.356 -5.306 1.00 1.33 H new ATOM 0 HZ2 LYS A 50 98.187 -9.064 -6.919 1.00 1.33 H new ATOM 0 HZ3 LYS A 50 99.783 -8.780 -6.414 1.00 1.33 H new ATOM 812 N TYR A 51 100.858 -3.836 -9.857 1.00 0.50 N ATOM 813 CA TYR A 51 100.985 -2.362 -10.046 1.00 0.44 C ATOM 814 C TYR A 51 102.135 -2.062 -11.008 1.00 0.42 C ATOM 815 O TYR A 51 102.641 -0.959 -11.049 1.00 0.49 O ATOM 816 CB TYR A 51 101.280 -1.695 -8.701 1.00 0.48 C ATOM 817 CG TYR A 51 100.048 -1.731 -7.830 1.00 0.45 C ATOM 818 CD1 TYR A 51 99.829 -2.816 -6.975 1.00 0.47 C ATOM 819 CD2 TYR A 51 99.126 -0.677 -7.875 1.00 0.53 C ATOM 820 CE1 TYR A 51 98.690 -2.849 -6.165 1.00 0.47 C ATOM 821 CE2 TYR A 51 97.987 -0.710 -7.065 1.00 0.54 C ATOM 822 CZ TYR A 51 97.768 -1.796 -6.209 1.00 0.47 C ATOM 823 OH TYR A 51 96.643 -1.828 -5.409 1.00 0.52 O ATOM 0 H TYR A 51 101.740 -4.343 -9.783 1.00 0.50 H new ATOM 0 HA TYR A 51 100.052 -1.975 -10.455 1.00 0.44 H new ATOM 0 HB2 TYR A 51 102.103 -2.208 -8.203 1.00 0.48 H new ATOM 0 HB3 TYR A 51 101.595 -0.663 -8.858 1.00 0.48 H new ATOM 0 HD1 TYR A 51 100.540 -3.628 -6.941 1.00 0.47 H new ATOM 0 HD2 TYR A 51 99.295 0.161 -8.535 1.00 0.53 H new ATOM 0 HE1 TYR A 51 98.521 -3.687 -5.505 1.00 0.47 H new ATOM 0 HE2 TYR A 51 97.276 0.102 -7.100 1.00 0.54 H new ATOM 0 HH TYR A 51 96.110 -1.020 -5.562 1.00 0.52 H new ATOM 833 N SER A 52 102.561 -3.030 -11.774 1.00 0.44 N ATOM 834 CA SER A 52 103.689 -2.779 -12.716 1.00 0.47 C ATOM 835 C SER A 52 104.781 -2.011 -11.971 1.00 0.40 C ATOM 836 O SER A 52 105.259 -0.989 -12.421 1.00 0.48 O ATOM 837 CB SER A 52 103.192 -1.949 -13.900 1.00 0.58 C ATOM 838 OG SER A 52 102.689 -2.820 -14.905 1.00 1.27 O ATOM 0 H SER A 52 102.180 -3.976 -11.789 1.00 0.44 H new ATOM 0 HA SER A 52 104.085 -3.724 -13.088 1.00 0.47 H new ATOM 0 HB2 SER A 52 102.412 -1.261 -13.575 1.00 0.58 H new ATOM 0 HB3 SER A 52 104.004 -1.343 -14.301 1.00 0.58 H new ATOM 0 HG SER A 52 102.368 -2.291 -15.665 1.00 1.27 H new ATOM 844 N VAL A 53 105.159 -2.496 -10.819 1.00 0.33 N ATOM 845 CA VAL A 53 106.202 -1.809 -10.003 1.00 0.38 C ATOM 846 C VAL A 53 107.298 -1.223 -10.895 1.00 0.45 C ATOM 847 O VAL A 53 107.989 -1.933 -11.599 1.00 1.11 O ATOM 848 CB VAL A 53 106.826 -2.815 -9.036 1.00 0.45 C ATOM 849 CG1 VAL A 53 105.735 -3.412 -8.145 1.00 0.69 C ATOM 850 CG2 VAL A 53 107.503 -3.933 -9.831 1.00 0.56 C ATOM 0 H VAL A 53 104.785 -3.349 -10.404 1.00 0.33 H new ATOM 0 HA VAL A 53 105.731 -0.995 -9.452 1.00 0.38 H new ATOM 0 HB VAL A 53 107.566 -2.310 -8.415 1.00 0.45 H new ATOM 0 HG11 VAL A 53 106.180 -4.129 -7.456 1.00 0.69 H new ATOM 0 HG12 VAL A 53 105.252 -2.616 -7.578 1.00 0.69 H new ATOM 0 HG13 VAL A 53 104.994 -3.917 -8.765 1.00 0.69 H new ATOM 0 HG21 VAL A 53 107.948 -4.651 -9.142 1.00 0.56 H new ATOM 0 HG22 VAL A 53 106.763 -4.437 -10.452 1.00 0.56 H new ATOM 0 HG23 VAL A 53 108.281 -3.509 -10.466 1.00 0.56 H new ATOM 860 N THR A 54 107.481 0.070 -10.845 1.00 0.52 N ATOM 861 CA THR A 54 108.553 0.706 -11.661 1.00 0.45 C ATOM 862 C THR A 54 109.910 0.264 -11.106 1.00 0.40 C ATOM 863 O THR A 54 110.946 0.489 -11.699 1.00 0.50 O ATOM 864 CB THR A 54 108.433 2.229 -11.565 1.00 0.53 C ATOM 865 OG1 THR A 54 107.063 2.598 -11.639 1.00 0.89 O ATOM 866 CG2 THR A 54 109.202 2.878 -12.716 1.00 0.72 C ATOM 0 H THR A 54 106.933 0.713 -10.273 1.00 0.52 H new ATOM 0 HA THR A 54 108.458 0.406 -12.705 1.00 0.45 H new ATOM 0 HB THR A 54 108.851 2.568 -10.617 1.00 0.53 H new ATOM 0 HG1 THR A 54 106.983 3.573 -11.576 1.00 0.89 H new ATOM 0 HG21 THR A 54 109.115 3.962 -12.646 1.00 0.72 H new ATOM 0 HG22 THR A 54 110.253 2.593 -12.658 1.00 0.72 H new ATOM 0 HG23 THR A 54 108.787 2.542 -13.666 1.00 0.72 H new ATOM 874 N PHE A 55 109.896 -0.364 -9.961 1.00 0.49 N ATOM 875 CA PHE A 55 111.155 -0.834 -9.329 1.00 0.46 C ATOM 876 C PHE A 55 110.788 -1.464 -7.991 1.00 0.39 C ATOM 877 O PHE A 55 110.294 -0.802 -7.097 1.00 0.45 O ATOM 878 CB PHE A 55 112.093 0.355 -9.120 1.00 0.55 C ATOM 879 CG PHE A 55 113.129 0.051 -8.054 1.00 0.43 C ATOM 880 CD1 PHE A 55 114.041 -1.001 -8.216 1.00 1.35 C ATOM 881 CD2 PHE A 55 113.180 0.841 -6.906 1.00 1.16 C ATOM 882 CE1 PHE A 55 115.001 -1.250 -7.227 1.00 1.33 C ATOM 883 CE2 PHE A 55 114.137 0.593 -5.916 1.00 1.16 C ATOM 884 CZ PHE A 55 115.051 -0.453 -6.078 1.00 0.35 C ATOM 0 H PHE A 55 109.050 -0.573 -9.431 1.00 0.49 H new ATOM 0 HA PHE A 55 111.664 -1.563 -9.960 1.00 0.46 H new ATOM 0 HB2 PHE A 55 112.592 0.598 -10.058 1.00 0.55 H new ATOM 0 HB3 PHE A 55 111.515 1.232 -8.830 1.00 0.55 H new ATOM 0 HD1 PHE A 55 114.004 -1.618 -9.101 1.00 1.35 H new ATOM 0 HD2 PHE A 55 112.476 1.650 -6.780 1.00 1.16 H new ATOM 0 HE1 PHE A 55 115.705 -2.060 -7.352 1.00 1.33 H new ATOM 0 HE2 PHE A 55 114.170 1.208 -5.029 1.00 1.16 H new ATOM 0 HZ PHE A 55 115.794 -0.645 -5.318 1.00 0.35 H new ATOM 894 N ILE A 56 110.994 -2.739 -7.856 1.00 0.40 N ATOM 895 CA ILE A 56 110.627 -3.413 -6.587 1.00 0.44 C ATOM 896 C ILE A 56 111.877 -4.053 -5.976 1.00 0.40 C ATOM 897 O ILE A 56 112.405 -5.018 -6.491 1.00 0.47 O ATOM 898 CB ILE A 56 109.562 -4.468 -6.893 1.00 0.55 C ATOM 899 CG1 ILE A 56 109.199 -5.247 -5.629 1.00 0.68 C ATOM 900 CG2 ILE A 56 110.084 -5.433 -7.956 1.00 0.58 C ATOM 901 CD1 ILE A 56 108.039 -6.190 -5.951 1.00 0.85 C ATOM 0 H ILE A 56 111.401 -3.344 -8.570 1.00 0.40 H new ATOM 0 HA ILE A 56 110.225 -2.699 -5.869 1.00 0.44 H new ATOM 0 HB ILE A 56 108.669 -3.964 -7.262 1.00 0.55 H new ATOM 0 HG12 ILE A 56 110.060 -5.814 -5.274 1.00 0.68 H new ATOM 0 HG13 ILE A 56 108.918 -4.561 -4.830 1.00 0.68 H new ATOM 0 HG21 ILE A 56 109.323 -6.183 -8.172 1.00 0.58 H new ATOM 0 HG22 ILE A 56 110.317 -4.880 -8.866 1.00 0.58 H new ATOM 0 HG23 ILE A 56 110.985 -5.925 -7.590 1.00 0.58 H new ATOM 0 HD11 ILE A 56 107.769 -6.753 -5.058 1.00 0.85 H new ATOM 0 HD12 ILE A 56 107.180 -5.609 -6.287 1.00 0.85 H new ATOM 0 HD13 ILE A 56 108.340 -6.881 -6.738 1.00 0.85 H new ATOM 913 N SER A 57 112.373 -3.502 -4.896 1.00 0.38 N ATOM 914 CA SER A 57 113.612 -4.066 -4.279 1.00 0.36 C ATOM 915 C SER A 57 113.393 -4.404 -2.806 1.00 0.38 C ATOM 916 O SER A 57 112.927 -3.594 -2.037 1.00 0.67 O ATOM 917 CB SER A 57 114.730 -3.033 -4.374 1.00 0.36 C ATOM 918 OG SER A 57 115.965 -3.641 -4.020 1.00 1.33 O ATOM 0 H SER A 57 111.977 -2.692 -4.418 1.00 0.38 H new ATOM 0 HA SER A 57 113.874 -4.978 -4.815 1.00 0.36 H new ATOM 0 HB2 SER A 57 114.786 -2.633 -5.386 1.00 0.36 H new ATOM 0 HB3 SER A 57 114.522 -2.193 -3.711 1.00 0.36 H new ATOM 0 HG SER A 57 116.198 -3.397 -3.100 1.00 1.33 H new ATOM 924 N ARG A 58 113.766 -5.585 -2.400 1.00 0.32 N ATOM 925 CA ARG A 58 113.614 -5.960 -0.967 1.00 0.34 C ATOM 926 C ARG A 58 114.918 -5.621 -0.238 1.00 0.31 C ATOM 927 O ARG A 58 115.959 -6.184 -0.522 1.00 0.40 O ATOM 928 CB ARG A 58 113.336 -7.460 -0.855 1.00 0.41 C ATOM 929 CG ARG A 58 112.168 -7.694 0.105 1.00 1.07 C ATOM 930 CD ARG A 58 111.721 -9.154 0.019 1.00 0.92 C ATOM 931 NE ARG A 58 112.919 -10.041 -0.001 1.00 1.26 N ATOM 932 CZ ARG A 58 112.785 -11.314 -0.253 1.00 1.41 C ATOM 933 NH1 ARG A 58 111.862 -11.722 -1.081 1.00 1.79 N ATOM 934 NH2 ARG A 58 113.575 -12.180 0.321 1.00 2.18 N ATOM 0 H ARG A 58 114.169 -6.306 -2.998 1.00 0.32 H new ATOM 0 HA ARG A 58 112.783 -5.413 -0.522 1.00 0.34 H new ATOM 0 HB2 ARG A 58 113.101 -7.871 -1.837 1.00 0.41 H new ATOM 0 HB3 ARG A 58 114.225 -7.979 -0.496 1.00 0.41 H new ATOM 0 HG2 ARG A 58 112.468 -7.454 1.125 1.00 1.07 H new ATOM 0 HG3 ARG A 58 111.338 -7.033 -0.147 1.00 1.07 H new ATOM 0 HD2 ARG A 58 111.086 -9.402 0.870 1.00 0.92 H new ATOM 0 HD3 ARG A 58 111.125 -9.310 -0.880 1.00 0.92 H new ATOM 0 HE ARG A 58 113.844 -9.652 0.182 1.00 1.26 H new ATOM 0 HH11 ARG A 58 111.245 -11.045 -1.531 1.00 1.79 H new ATOM 0 HH12 ARG A 58 111.757 -12.717 -1.278 1.00 1.79 H new ATOM 0 HH21 ARG A 58 114.297 -11.862 0.967 1.00 2.18 H new ATOM 0 HH22 ARG A 58 113.470 -13.175 0.124 1.00 2.18 H new ATOM 948 N HIS A 59 114.877 -4.697 0.686 1.00 0.28 N ATOM 949 CA HIS A 59 116.123 -4.319 1.414 1.00 0.29 C ATOM 950 C HIS A 59 116.014 -4.732 2.883 1.00 0.30 C ATOM 951 O HIS A 59 114.965 -5.124 3.354 1.00 0.37 O ATOM 952 CB HIS A 59 116.323 -2.805 1.325 1.00 0.34 C ATOM 953 CG HIS A 59 116.461 -2.400 -0.117 1.00 0.34 C ATOM 954 ND1 HIS A 59 117.690 -2.114 -0.690 1.00 0.43 N ATOM 955 CD2 HIS A 59 115.533 -2.229 -1.115 1.00 0.47 C ATOM 956 CE1 HIS A 59 117.471 -1.789 -1.977 1.00 0.45 C ATOM 957 NE2 HIS A 59 116.174 -1.843 -2.288 1.00 0.48 N ATOM 0 H HIS A 59 114.038 -4.190 0.967 1.00 0.28 H new ATOM 0 HA HIS A 59 116.973 -4.830 0.961 1.00 0.29 H new ATOM 0 HB2 HIS A 59 115.477 -2.289 1.779 1.00 0.34 H new ATOM 0 HB3 HIS A 59 117.212 -2.512 1.883 1.00 0.34 H new ATOM 0 HD1 HIS A 59 118.595 -2.144 -0.221 1.00 0.43 H new ATOM 0 HD2 HIS A 59 114.468 -2.372 -1.006 1.00 0.47 H new ATOM 0 HE1 HIS A 59 118.250 -1.517 -2.674 1.00 0.45 H new ATOM 965 N ASN A 60 117.093 -4.643 3.612 1.00 0.32 N ATOM 966 CA ASN A 60 117.057 -5.027 5.051 1.00 0.34 C ATOM 967 C ASN A 60 117.294 -3.786 5.914 1.00 0.38 C ATOM 968 O ASN A 60 118.101 -2.937 5.590 1.00 0.47 O ATOM 969 CB ASN A 60 118.152 -6.058 5.333 1.00 0.39 C ATOM 970 CG ASN A 60 118.260 -7.024 4.151 1.00 0.75 C ATOM 971 OD1 ASN A 60 118.897 -6.723 3.161 1.00 1.75 O ATOM 972 ND2 ASN A 60 117.658 -8.180 4.214 1.00 0.96 N ATOM 0 H ASN A 60 117.999 -4.320 3.272 1.00 0.32 H new ATOM 0 HA ASN A 60 116.084 -5.457 5.288 1.00 0.34 H new ATOM 0 HB2 ASN A 60 119.106 -5.556 5.495 1.00 0.39 H new ATOM 0 HB3 ASN A 60 117.922 -6.608 6.246 1.00 0.39 H new ATOM 0 HD21 ASN A 60 117.722 -8.832 3.432 1.00 0.96 H new ATOM 0 HD22 ASN A 60 117.123 -8.432 5.045 1.00 0.96 H new ATOM 979 N SER A 61 116.594 -3.673 7.011 1.00 0.45 N ATOM 980 CA SER A 61 116.777 -2.485 7.892 1.00 0.52 C ATOM 981 C SER A 61 117.419 -2.917 9.211 1.00 0.54 C ATOM 982 O SER A 61 118.626 -2.942 9.346 1.00 0.70 O ATOM 983 CB SER A 61 115.417 -1.846 8.173 1.00 0.58 C ATOM 984 OG SER A 61 114.437 -2.866 8.313 1.00 1.14 O ATOM 0 H SER A 61 115.904 -4.351 7.334 1.00 0.45 H new ATOM 0 HA SER A 61 117.424 -1.762 7.395 1.00 0.52 H new ATOM 0 HB2 SER A 61 115.466 -1.246 9.081 1.00 0.58 H new ATOM 0 HB3 SER A 61 115.144 -1.173 7.360 1.00 0.58 H new ATOM 0 HG SER A 61 113.554 -2.457 8.427 1.00 1.14 H new ATOM 990 N TYR A 62 116.623 -3.254 10.189 1.00 0.58 N ATOM 991 CA TYR A 62 117.193 -3.677 11.499 1.00 0.65 C ATOM 992 C TYR A 62 116.540 -4.986 11.949 1.00 0.69 C ATOM 993 O TYR A 62 117.207 -5.904 12.383 1.00 0.81 O ATOM 994 CB TYR A 62 116.927 -2.591 12.544 1.00 0.78 C ATOM 995 CG TYR A 62 117.424 -1.262 12.029 1.00 0.73 C ATOM 996 CD1 TYR A 62 116.569 -0.433 11.292 1.00 0.98 C ATOM 997 CD2 TYR A 62 118.738 -0.857 12.288 1.00 1.20 C ATOM 998 CE1 TYR A 62 117.029 0.799 10.816 1.00 1.13 C ATOM 999 CE2 TYR A 62 119.198 0.374 11.811 1.00 1.37 C ATOM 1000 CZ TYR A 62 118.344 1.203 11.075 1.00 1.14 C ATOM 1001 OH TYR A 62 118.798 2.419 10.605 1.00 1.45 O ATOM 0 H TYR A 62 115.604 -3.255 10.137 1.00 0.58 H new ATOM 0 HA TYR A 62 118.267 -3.828 11.392 1.00 0.65 H new ATOM 0 HB2 TYR A 62 115.860 -2.533 12.760 1.00 0.78 H new ATOM 0 HB3 TYR A 62 117.428 -2.841 13.479 1.00 0.78 H new ATOM 0 HD1 TYR A 62 115.555 -0.745 11.091 1.00 0.98 H new ATOM 0 HD2 TYR A 62 119.397 -1.496 12.857 1.00 1.20 H new ATOM 0 HE1 TYR A 62 116.370 1.439 10.248 1.00 1.13 H new ATOM 0 HE2 TYR A 62 120.213 0.685 12.011 1.00 1.37 H new ATOM 0 HH TYR A 62 118.353 2.629 9.758 1.00 1.45 H new ATOM 1011 N ASN A 63 115.241 -5.079 11.858 1.00 0.72 N ATOM 1012 CA ASN A 63 114.555 -6.329 12.291 1.00 0.85 C ATOM 1013 C ASN A 63 113.676 -6.861 11.156 1.00 0.68 C ATOM 1014 O ASN A 63 113.153 -7.955 11.228 1.00 0.66 O ATOM 1015 CB ASN A 63 113.684 -6.034 13.513 1.00 1.09 C ATOM 1016 CG ASN A 63 114.536 -5.375 14.600 1.00 1.44 C ATOM 1017 OD1 ASN A 63 115.510 -5.943 15.052 1.00 2.15 O ATOM 1018 ND2 ASN A 63 114.208 -4.191 15.041 1.00 1.55 N ATOM 0 H ASN A 63 114.627 -4.346 11.504 1.00 0.72 H new ATOM 0 HA ASN A 63 115.304 -7.079 12.546 1.00 0.85 H new ATOM 0 HB2 ASN A 63 112.859 -5.378 13.235 1.00 1.09 H new ATOM 0 HB3 ASN A 63 113.244 -6.957 13.891 1.00 1.09 H new ATOM 0 HD21 ASN A 63 114.770 -3.743 15.765 1.00 1.55 H new ATOM 0 HD22 ASN A 63 113.390 -3.714 14.662 1.00 1.55 H new ATOM 1025 N HIS A 64 113.504 -6.099 10.110 1.00 0.65 N ATOM 1026 CA HIS A 64 112.654 -6.574 8.982 1.00 0.50 C ATOM 1027 C HIS A 64 113.221 -6.059 7.657 1.00 0.48 C ATOM 1028 O HIS A 64 114.388 -5.738 7.558 1.00 0.59 O ATOM 1029 CB HIS A 64 111.224 -6.067 9.179 1.00 0.48 C ATOM 1030 CG HIS A 64 110.680 -6.629 10.462 1.00 0.49 C ATOM 1031 ND1 HIS A 64 110.219 -5.820 11.488 1.00 0.99 N ATOM 1032 CD2 HIS A 64 110.527 -7.920 10.905 1.00 0.83 C ATOM 1033 CE1 HIS A 64 109.816 -6.625 12.488 1.00 0.84 C ATOM 1034 NE2 HIS A 64 109.982 -7.915 12.185 1.00 0.61 N ATOM 0 H HIS A 64 113.913 -5.173 9.988 1.00 0.65 H new ATOM 0 HA HIS A 64 112.647 -7.664 8.960 1.00 0.50 H new ATOM 0 HB2 HIS A 64 111.211 -4.978 9.210 1.00 0.48 H new ATOM 0 HB3 HIS A 64 110.598 -6.370 8.340 1.00 0.48 H new ATOM 0 HD2 HIS A 64 110.790 -8.805 10.345 1.00 0.83 H new ATOM 0 HE1 HIS A 64 109.408 -6.271 13.423 1.00 0.84 H new ATOM 0 HE2 HIS A 64 109.758 -8.722 12.767 1.00 0.61 H new ATOM 1042 N ASN A 65 112.414 -5.990 6.633 1.00 0.39 N ATOM 1043 CA ASN A 65 112.928 -5.511 5.319 1.00 0.37 C ATOM 1044 C ASN A 65 111.981 -4.461 4.731 1.00 0.35 C ATOM 1045 O ASN A 65 110.812 -4.402 5.065 1.00 0.40 O ATOM 1046 CB ASN A 65 113.031 -6.697 4.357 1.00 0.38 C ATOM 1047 CG ASN A 65 114.141 -7.639 4.827 1.00 0.51 C ATOM 1048 OD1 ASN A 65 115.129 -7.820 4.144 1.00 1.38 O ATOM 1049 ND2 ASN A 65 114.020 -8.251 5.973 1.00 1.05 N ATOM 0 H ASN A 65 111.426 -6.243 6.649 1.00 0.39 H new ATOM 0 HA ASN A 65 113.910 -5.061 5.462 1.00 0.37 H new ATOM 0 HB2 ASN A 65 112.081 -7.229 4.316 1.00 0.38 H new ATOM 0 HB3 ASN A 65 113.242 -6.343 3.348 1.00 0.38 H new ATOM 0 HD21 ASN A 65 114.755 -8.881 6.295 1.00 1.05 H new ATOM 0 HD22 ASN A 65 113.191 -8.099 6.547 1.00 1.05 H new ATOM 1056 N ILE A 66 112.481 -3.636 3.849 1.00 0.37 N ATOM 1057 CA ILE A 66 111.623 -2.590 3.223 1.00 0.40 C ATOM 1058 C ILE A 66 111.341 -2.979 1.772 1.00 0.36 C ATOM 1059 O ILE A 66 112.187 -2.844 0.910 1.00 0.57 O ATOM 1060 CB ILE A 66 112.355 -1.240 3.254 1.00 0.50 C ATOM 1061 CG1 ILE A 66 112.325 -0.680 4.677 1.00 0.72 C ATOM 1062 CG2 ILE A 66 111.675 -0.245 2.303 1.00 0.60 C ATOM 1063 CD1 ILE A 66 113.097 -1.613 5.611 1.00 0.65 C ATOM 0 H ILE A 66 113.451 -3.643 3.535 1.00 0.37 H new ATOM 0 HA ILE A 66 110.686 -2.507 3.773 1.00 0.40 H new ATOM 0 HB ILE A 66 113.387 -1.389 2.935 1.00 0.50 H new ATOM 0 HG12 ILE A 66 112.766 0.317 4.696 1.00 0.72 H new ATOM 0 HG13 ILE A 66 111.294 -0.579 5.017 1.00 0.72 H new ATOM 0 HG21 ILE A 66 112.204 0.708 2.334 1.00 0.60 H new ATOM 0 HG22 ILE A 66 111.698 -0.639 1.287 1.00 0.60 H new ATOM 0 HG23 ILE A 66 110.640 -0.096 2.611 1.00 0.60 H new ATOM 0 HD11 ILE A 66 113.075 -1.213 6.625 1.00 0.65 H new ATOM 0 HD12 ILE A 66 112.636 -2.601 5.601 1.00 0.65 H new ATOM 0 HD13 ILE A 66 114.131 -1.691 5.274 1.00 0.65 H new ATOM 1075 N LEU A 67 110.160 -3.454 1.490 1.00 0.41 N ATOM 1076 CA LEU A 67 109.840 -3.837 0.089 1.00 0.39 C ATOM 1077 C LEU A 67 109.509 -2.580 -0.704 1.00 0.39 C ATOM 1078 O LEU A 67 108.404 -2.077 -0.665 1.00 0.59 O ATOM 1079 CB LEU A 67 108.637 -4.780 0.059 1.00 0.43 C ATOM 1080 CG LEU A 67 108.254 -5.069 -1.394 1.00 0.51 C ATOM 1081 CD1 LEU A 67 109.047 -6.272 -1.904 1.00 0.80 C ATOM 1082 CD2 LEU A 67 106.758 -5.377 -1.478 1.00 0.52 C ATOM 0 H LEU A 67 109.408 -3.593 2.165 1.00 0.41 H new ATOM 0 HA LEU A 67 110.700 -4.345 -0.348 1.00 0.39 H new ATOM 0 HB2 LEU A 67 108.877 -5.710 0.575 1.00 0.43 H new ATOM 0 HB3 LEU A 67 107.795 -4.331 0.586 1.00 0.43 H new ATOM 0 HG LEU A 67 108.482 -4.196 -2.006 1.00 0.51 H new ATOM 0 HD11 LEU A 67 108.773 -6.476 -2.939 1.00 0.80 H new ATOM 0 HD12 LEU A 67 110.114 -6.055 -1.847 1.00 0.80 H new ATOM 0 HD13 LEU A 67 108.821 -7.144 -1.290 1.00 0.80 H new ATOM 0 HD21 LEU A 67 106.486 -5.583 -2.513 1.00 0.52 H new ATOM 0 HD22 LEU A 67 106.531 -6.248 -0.863 1.00 0.52 H new ATOM 0 HD23 LEU A 67 106.189 -4.520 -1.117 1.00 0.52 H new ATOM 1094 N PHE A 68 110.458 -2.075 -1.428 1.00 0.37 N ATOM 1095 CA PHE A 68 110.213 -0.856 -2.234 1.00 0.41 C ATOM 1096 C PHE A 68 109.447 -1.255 -3.485 1.00 0.39 C ATOM 1097 O PHE A 68 109.671 -2.311 -4.035 1.00 0.57 O ATOM 1098 CB PHE A 68 111.556 -0.263 -2.667 1.00 0.58 C ATOM 1099 CG PHE A 68 111.677 1.187 -2.262 1.00 0.45 C ATOM 1100 CD1 PHE A 68 110.540 1.962 -1.987 1.00 1.34 C ATOM 1101 CD2 PHE A 68 112.948 1.757 -2.161 1.00 1.35 C ATOM 1102 CE1 PHE A 68 110.683 3.299 -1.611 1.00 1.59 C ATOM 1103 CE2 PHE A 68 113.090 3.093 -1.784 1.00 1.72 C ATOM 1104 CZ PHE A 68 111.957 3.866 -1.508 1.00 1.45 C ATOM 0 H PHE A 68 111.401 -2.457 -1.497 1.00 0.37 H new ATOM 0 HA PHE A 68 109.651 -0.129 -1.648 1.00 0.41 H new ATOM 0 HB2 PHE A 68 112.369 -0.836 -2.220 1.00 0.58 H new ATOM 0 HB3 PHE A 68 111.662 -0.350 -3.748 1.00 0.58 H new ATOM 0 HD1 PHE A 68 109.556 1.525 -2.066 1.00 1.34 H new ATOM 0 HD2 PHE A 68 113.823 1.162 -2.375 1.00 1.35 H new ATOM 0 HE1 PHE A 68 109.808 3.896 -1.399 1.00 1.59 H new ATOM 0 HE2 PHE A 68 114.074 3.530 -1.705 1.00 1.72 H new ATOM 0 HZ PHE A 68 112.066 4.900 -1.216 1.00 1.45 H new ATOM 1114 N PHE A 69 108.560 -0.425 -3.954 1.00 0.41 N ATOM 1115 CA PHE A 69 107.817 -0.780 -5.189 1.00 0.42 C ATOM 1116 C PHE A 69 107.099 0.453 -5.737 1.00 0.44 C ATOM 1117 O PHE A 69 106.138 0.944 -5.172 1.00 0.53 O ATOM 1118 CB PHE A 69 106.825 -1.915 -4.904 1.00 0.39 C ATOM 1119 CG PHE A 69 105.579 -1.395 -4.229 1.00 0.39 C ATOM 1120 CD1 PHE A 69 105.576 -1.151 -2.852 1.00 0.48 C ATOM 1121 CD2 PHE A 69 104.417 -1.187 -4.979 1.00 0.36 C ATOM 1122 CE1 PHE A 69 104.410 -0.694 -2.226 1.00 0.51 C ATOM 1123 CE2 PHE A 69 103.251 -0.736 -4.355 1.00 0.39 C ATOM 1124 CZ PHE A 69 103.246 -0.488 -2.978 1.00 0.45 C ATOM 0 H PHE A 69 108.320 0.475 -3.539 1.00 0.41 H new ATOM 0 HA PHE A 69 108.522 -1.130 -5.943 1.00 0.42 H new ATOM 0 HB2 PHE A 69 106.556 -2.410 -5.837 1.00 0.39 H new ATOM 0 HB3 PHE A 69 107.299 -2.665 -4.271 1.00 0.39 H new ATOM 0 HD1 PHE A 69 106.472 -1.315 -2.272 1.00 0.48 H new ATOM 0 HD2 PHE A 69 104.421 -1.375 -6.042 1.00 0.36 H new ATOM 0 HE1 PHE A 69 104.408 -0.500 -1.164 1.00 0.51 H new ATOM 0 HE2 PHE A 69 102.354 -0.579 -4.935 1.00 0.39 H new ATOM 0 HZ PHE A 69 102.346 -0.138 -2.495 1.00 0.45 H new ATOM 1134 N LEU A 70 107.579 0.957 -6.843 1.00 0.40 N ATOM 1135 CA LEU A 70 106.954 2.157 -7.462 1.00 0.41 C ATOM 1136 C LEU A 70 105.712 1.721 -8.239 1.00 0.37 C ATOM 1137 O LEU A 70 105.294 0.584 -8.167 1.00 0.38 O ATOM 1138 CB LEU A 70 107.953 2.804 -8.427 1.00 0.48 C ATOM 1139 CG LEU A 70 108.445 4.138 -7.858 1.00 0.65 C ATOM 1140 CD1 LEU A 70 109.359 3.883 -6.658 1.00 1.18 C ATOM 1141 CD2 LEU A 70 109.228 4.888 -8.939 1.00 1.17 C ATOM 0 H LEU A 70 108.384 0.584 -7.346 1.00 0.40 H new ATOM 0 HA LEU A 70 106.676 2.874 -6.689 1.00 0.41 H new ATOM 0 HB2 LEU A 70 108.798 2.135 -8.590 1.00 0.48 H new ATOM 0 HB3 LEU A 70 107.482 2.965 -9.397 1.00 0.48 H new ATOM 0 HG LEU A 70 107.589 4.733 -7.539 1.00 0.65 H new ATOM 0 HD11 LEU A 70 109.707 4.835 -6.257 1.00 1.18 H new ATOM 0 HD12 LEU A 70 108.807 3.344 -5.888 1.00 1.18 H new ATOM 0 HD13 LEU A 70 110.216 3.288 -6.973 1.00 1.18 H new ATOM 0 HD21 LEU A 70 109.581 5.839 -8.539 1.00 1.17 H new ATOM 0 HD22 LEU A 70 110.082 4.287 -9.253 1.00 1.17 H new ATOM 0 HD23 LEU A 70 108.580 5.073 -9.796 1.00 1.17 H new ATOM 1153 N THR A 71 105.121 2.611 -8.984 1.00 0.39 N ATOM 1154 CA THR A 71 103.911 2.237 -9.767 1.00 0.38 C ATOM 1155 C THR A 71 103.706 3.246 -10.903 1.00 0.40 C ATOM 1156 O THR A 71 104.014 4.412 -10.755 1.00 0.52 O ATOM 1157 CB THR A 71 102.689 2.253 -8.849 1.00 0.41 C ATOM 1158 OG1 THR A 71 102.605 3.515 -8.205 1.00 0.51 O ATOM 1159 CG2 THR A 71 102.813 1.150 -7.796 1.00 0.47 C ATOM 0 H THR A 71 105.422 3.580 -9.085 1.00 0.39 H new ATOM 0 HA THR A 71 104.042 1.239 -10.185 1.00 0.38 H new ATOM 0 HB THR A 71 101.790 2.080 -9.441 1.00 0.41 H new ATOM 0 HG1 THR A 71 101.667 3.794 -8.153 1.00 0.51 H new ATOM 0 HG21 THR A 71 101.938 1.168 -7.146 1.00 0.47 H new ATOM 0 HG22 THR A 71 102.878 0.181 -8.290 1.00 0.47 H new ATOM 0 HG23 THR A 71 103.711 1.315 -7.201 1.00 0.47 H new ATOM 1167 N PRO A 72 103.187 2.764 -12.005 1.00 0.43 N ATOM 1168 CA PRO A 72 102.923 3.600 -13.188 1.00 0.48 C ATOM 1169 C PRO A 72 101.650 4.429 -12.984 1.00 0.47 C ATOM 1170 O PRO A 72 101.711 5.593 -12.643 1.00 0.86 O ATOM 1171 CB PRO A 72 102.752 2.582 -14.319 1.00 0.67 C ATOM 1172 CG PRO A 72 102.373 1.241 -13.646 1.00 0.74 C ATOM 1173 CD PRO A 72 102.816 1.344 -12.173 1.00 0.56 C ATOM 0 HA PRO A 72 103.716 4.319 -13.394 1.00 0.48 H new ATOM 0 HB2 PRO A 72 101.975 2.901 -15.014 1.00 0.67 H new ATOM 0 HB3 PRO A 72 103.673 2.482 -14.894 1.00 0.67 H new ATOM 0 HG2 PRO A 72 101.300 1.063 -13.716 1.00 0.74 H new ATOM 0 HG3 PRO A 72 102.868 0.406 -14.142 1.00 0.74 H new ATOM 0 HD2 PRO A 72 102.012 1.059 -11.494 1.00 0.56 H new ATOM 0 HD3 PRO A 72 103.658 0.685 -11.963 1.00 0.56 H new ATOM 1181 N HIS A 73 100.497 3.847 -13.186 1.00 0.54 N ATOM 1182 CA HIS A 73 99.241 4.626 -12.994 1.00 0.51 C ATOM 1183 C HIS A 73 99.307 5.354 -11.649 1.00 0.51 C ATOM 1184 O HIS A 73 100.235 5.176 -10.885 1.00 1.28 O ATOM 1185 CB HIS A 73 98.022 3.690 -13.031 1.00 0.69 C ATOM 1186 CG HIS A 73 98.170 2.587 -12.015 1.00 0.83 C ATOM 1187 ND1 HIS A 73 97.285 2.434 -10.957 1.00 0.83 N ATOM 1188 CD2 HIS A 73 99.080 1.567 -11.889 1.00 1.78 C ATOM 1189 CE1 HIS A 73 97.679 1.358 -10.249 1.00 0.79 C ATOM 1190 NE2 HIS A 73 98.769 0.793 -10.774 1.00 1.64 N ATOM 0 H HIS A 73 100.372 2.876 -13.473 1.00 0.54 H new ATOM 0 HA HIS A 73 99.138 5.354 -13.799 1.00 0.51 H new ATOM 0 HB2 HIS A 73 97.114 4.258 -12.829 1.00 0.69 H new ATOM 0 HB3 HIS A 73 97.915 3.262 -14.028 1.00 0.69 H new ATOM 0 HD2 HIS A 73 99.912 1.391 -12.555 1.00 1.78 H new ATOM 0 HE1 HIS A 73 97.175 0.996 -9.365 1.00 0.79 H new ATOM 0 HE2 HIS A 73 99.267 -0.029 -10.432 1.00 1.64 H new ATOM 1198 N ARG A 74 98.342 6.181 -11.354 1.00 0.70 N ATOM 1199 CA ARG A 74 98.369 6.920 -10.059 1.00 0.62 C ATOM 1200 C ARG A 74 97.376 6.285 -9.086 1.00 0.53 C ATOM 1201 O ARG A 74 96.341 5.783 -9.477 1.00 0.65 O ATOM 1202 CB ARG A 74 97.984 8.382 -10.297 1.00 0.81 C ATOM 1203 CG ARG A 74 99.225 9.179 -10.701 1.00 1.10 C ATOM 1204 CD ARG A 74 98.905 10.674 -10.669 1.00 1.33 C ATOM 1205 NE ARG A 74 99.343 11.304 -11.946 1.00 1.89 N ATOM 1206 CZ ARG A 74 99.961 12.453 -11.928 1.00 2.35 C ATOM 1207 NH1 ARG A 74 101.221 12.512 -11.596 1.00 3.07 N ATOM 1208 NH2 ARG A 74 99.318 13.544 -12.243 1.00 2.72 N ATOM 0 H ARG A 74 97.538 6.377 -11.951 1.00 0.70 H new ATOM 0 HA ARG A 74 99.373 6.872 -9.636 1.00 0.62 H new ATOM 0 HB2 ARG A 74 97.227 8.447 -11.079 1.00 0.81 H new ATOM 0 HB3 ARG A 74 97.546 8.805 -9.393 1.00 0.81 H new ATOM 0 HG2 ARG A 74 100.049 8.958 -10.022 1.00 1.10 H new ATOM 0 HG3 ARG A 74 99.548 8.887 -11.700 1.00 1.10 H new ATOM 0 HD2 ARG A 74 97.835 10.825 -10.525 1.00 1.33 H new ATOM 0 HD3 ARG A 74 99.410 11.147 -9.826 1.00 1.33 H new ATOM 0 HE ARG A 74 99.160 10.837 -12.834 1.00 1.89 H new ATOM 0 HH11 ARG A 74 101.724 11.659 -11.350 1.00 3.07 H new ATOM 0 HH12 ARG A 74 101.703 13.411 -11.582 1.00 3.07 H new ATOM 0 HH21 ARG A 74 98.333 13.498 -12.503 1.00 2.72 H new ATOM 0 HH22 ARG A 74 99.801 14.442 -12.229 1.00 2.72 H new ATOM 1222 N HIS A 75 97.684 6.300 -7.818 1.00 0.46 N ATOM 1223 CA HIS A 75 96.758 5.693 -6.818 1.00 0.45 C ATOM 1224 C HIS A 75 96.912 6.418 -5.483 1.00 0.47 C ATOM 1225 O HIS A 75 97.956 6.956 -5.175 1.00 0.86 O ATOM 1226 CB HIS A 75 97.087 4.206 -6.607 1.00 0.51 C ATOM 1227 CG HIS A 75 98.254 3.796 -7.463 1.00 0.56 C ATOM 1228 ND1 HIS A 75 98.181 3.753 -8.845 1.00 0.88 N ATOM 1229 CD2 HIS A 75 99.530 3.412 -7.144 1.00 0.67 C ATOM 1230 CE1 HIS A 75 99.384 3.357 -9.299 1.00 1.09 C ATOM 1231 NE2 HIS A 75 100.240 3.135 -8.303 1.00 0.97 N ATOM 0 H HIS A 75 98.536 6.706 -7.431 1.00 0.46 H new ATOM 0 HA HIS A 75 95.738 5.786 -7.190 1.00 0.45 H new ATOM 0 HB2 HIS A 75 97.317 4.024 -5.557 1.00 0.51 H new ATOM 0 HB3 HIS A 75 96.217 3.597 -6.853 1.00 0.51 H new ATOM 0 HD1 HIS A 75 97.365 3.980 -9.414 1.00 0.88 H new ATOM 0 HD2 HIS A 75 99.924 3.336 -6.141 1.00 0.67 H new ATOM 0 HE1 HIS A 75 99.626 3.234 -10.344 1.00 1.09 H new ATOM 1239 N ARG A 76 95.885 6.423 -4.682 1.00 0.54 N ATOM 1240 CA ARG A 76 95.981 7.099 -3.361 1.00 0.51 C ATOM 1241 C ARG A 76 96.567 6.114 -2.349 1.00 0.51 C ATOM 1242 O ARG A 76 96.291 4.932 -2.391 1.00 0.47 O ATOM 1243 CB ARG A 76 94.587 7.535 -2.905 1.00 0.56 C ATOM 1244 CG ARG A 76 94.469 9.056 -3.011 1.00 1.06 C ATOM 1245 CD ARG A 76 93.278 9.534 -2.178 1.00 0.95 C ATOM 1246 NE ARG A 76 92.016 9.004 -2.767 1.00 1.45 N ATOM 1247 CZ ARG A 76 90.937 9.738 -2.765 1.00 1.88 C ATOM 1248 NH1 ARG A 76 90.224 9.845 -1.678 1.00 2.41 N ATOM 1249 NH2 ARG A 76 90.571 10.363 -3.850 1.00 2.53 N ATOM 0 H ARG A 76 94.985 5.989 -4.885 1.00 0.54 H new ATOM 0 HA ARG A 76 96.621 7.978 -3.438 1.00 0.51 H new ATOM 0 HB2 ARG A 76 93.825 7.057 -3.520 1.00 0.56 H new ATOM 0 HB3 ARG A 76 94.413 7.217 -1.877 1.00 0.56 H new ATOM 0 HG2 ARG A 76 95.386 9.528 -2.658 1.00 1.06 H new ATOM 0 HG3 ARG A 76 94.339 9.350 -4.053 1.00 1.06 H new ATOM 0 HD2 ARG A 76 93.382 9.195 -1.147 1.00 0.95 H new ATOM 0 HD3 ARG A 76 93.251 10.623 -2.154 1.00 0.95 H new ATOM 0 HE ARG A 76 91.996 8.068 -3.172 1.00 1.45 H new ATOM 0 HH11 ARG A 76 90.510 9.355 -0.830 1.00 2.41 H new ATOM 0 HH12 ARG A 76 89.381 10.419 -1.676 1.00 2.41 H new ATOM 0 HH21 ARG A 76 91.128 10.278 -4.700 1.00 2.53 H new ATOM 0 HH22 ARG A 76 89.728 10.937 -3.848 1.00 2.53 H new ATOM 1263 N VAL A 77 97.377 6.583 -1.441 1.00 0.63 N ATOM 1264 CA VAL A 77 97.974 5.659 -0.438 1.00 0.73 C ATOM 1265 C VAL A 77 96.856 4.910 0.290 1.00 0.64 C ATOM 1266 O VAL A 77 97.082 3.889 0.909 1.00 0.65 O ATOM 1267 CB VAL A 77 98.811 6.461 0.562 1.00 1.02 C ATOM 1268 CG1 VAL A 77 99.090 5.613 1.806 1.00 1.06 C ATOM 1269 CG2 VAL A 77 100.137 6.848 -0.095 1.00 1.22 C ATOM 0 H VAL A 77 97.650 7.562 -1.350 1.00 0.63 H new ATOM 0 HA VAL A 77 98.619 4.937 -0.940 1.00 0.73 H new ATOM 0 HB VAL A 77 98.265 7.357 0.856 1.00 1.02 H new ATOM 0 HG11 VAL A 77 99.686 6.190 2.513 1.00 1.06 H new ATOM 0 HG12 VAL A 77 98.146 5.330 2.273 1.00 1.06 H new ATOM 0 HG13 VAL A 77 99.637 4.715 1.519 1.00 1.06 H new ATOM 0 HG21 VAL A 77 100.740 7.420 0.611 1.00 1.22 H new ATOM 0 HG22 VAL A 77 100.676 5.946 -0.385 1.00 1.22 H new ATOM 0 HG23 VAL A 77 99.942 7.454 -0.980 1.00 1.22 H new ATOM 1279 N SER A 78 95.649 5.401 0.215 1.00 0.62 N ATOM 1280 CA SER A 78 94.522 4.705 0.894 1.00 0.67 C ATOM 1281 C SER A 78 94.205 3.413 0.136 1.00 0.52 C ATOM 1282 O SER A 78 93.949 2.382 0.724 1.00 0.52 O ATOM 1283 CB SER A 78 93.290 5.610 0.900 1.00 0.83 C ATOM 1284 OG SER A 78 92.498 5.334 -0.248 1.00 1.33 O ATOM 0 H SER A 78 95.396 6.252 -0.286 1.00 0.62 H new ATOM 0 HA SER A 78 94.800 4.471 1.922 1.00 0.67 H new ATOM 0 HB2 SER A 78 92.707 5.444 1.806 1.00 0.83 H new ATOM 0 HB3 SER A 78 93.594 6.657 0.903 1.00 0.83 H new ATOM 0 HG SER A 78 91.706 5.912 -0.246 1.00 1.33 H new ATOM 1290 N ALA A 79 94.229 3.462 -1.170 1.00 0.47 N ATOM 1291 CA ALA A 79 93.938 2.239 -1.970 1.00 0.45 C ATOM 1292 C ALA A 79 95.101 1.255 -1.825 1.00 0.40 C ATOM 1293 O ALA A 79 94.914 0.105 -1.479 1.00 0.49 O ATOM 1294 CB ALA A 79 93.769 2.619 -3.442 1.00 0.47 C ATOM 0 H ALA A 79 94.438 4.298 -1.716 1.00 0.47 H new ATOM 0 HA ALA A 79 93.019 1.776 -1.610 1.00 0.45 H new ATOM 0 HB1 ALA A 79 93.556 1.724 -4.027 1.00 0.47 H new ATOM 0 HB2 ALA A 79 92.943 3.324 -3.543 1.00 0.47 H new ATOM 0 HB3 ALA A 79 94.687 3.081 -3.806 1.00 0.47 H new ATOM 1300 N ILE A 80 96.303 1.699 -2.077 1.00 0.36 N ATOM 1301 CA ILE A 80 97.476 0.792 -1.941 1.00 0.48 C ATOM 1302 C ILE A 80 97.554 0.310 -0.493 1.00 0.43 C ATOM 1303 O ILE A 80 98.032 -0.771 -0.209 1.00 0.52 O ATOM 1304 CB ILE A 80 98.760 1.548 -2.295 1.00 0.66 C ATOM 1305 CG1 ILE A 80 98.691 2.034 -3.747 1.00 0.65 C ATOM 1306 CG2 ILE A 80 99.964 0.619 -2.126 1.00 0.94 C ATOM 1307 CD1 ILE A 80 98.871 0.849 -4.697 1.00 0.48 C ATOM 0 H ILE A 80 96.522 2.651 -2.371 1.00 0.36 H new ATOM 0 HA ILE A 80 97.366 -0.057 -2.615 1.00 0.48 H new ATOM 0 HB ILE A 80 98.866 2.406 -1.632 1.00 0.66 H new ATOM 0 HG12 ILE A 80 97.733 2.519 -3.933 1.00 0.65 H new ATOM 0 HG13 ILE A 80 99.466 2.779 -3.928 1.00 0.65 H new ATOM 0 HG21 ILE A 80 100.877 1.158 -2.378 1.00 0.94 H new ATOM 0 HG22 ILE A 80 100.018 0.277 -1.092 1.00 0.94 H new ATOM 0 HG23 ILE A 80 99.856 -0.241 -2.787 1.00 0.94 H new ATOM 0 HD11 ILE A 80 98.821 1.199 -5.728 1.00 0.48 H new ATOM 0 HD12 ILE A 80 99.840 0.383 -4.518 1.00 0.48 H new ATOM 0 HD13 ILE A 80 98.080 0.120 -4.523 1.00 0.48 H new ATOM 1319 N ASN A 81 97.079 1.107 0.424 1.00 0.38 N ATOM 1320 CA ASN A 81 97.113 0.705 1.857 1.00 0.43 C ATOM 1321 C ASN A 81 96.121 -0.436 2.078 1.00 0.45 C ATOM 1322 O ASN A 81 96.306 -1.275 2.935 1.00 0.53 O ATOM 1323 CB ASN A 81 96.723 1.898 2.733 1.00 0.47 C ATOM 1324 CG ASN A 81 96.621 1.450 4.192 1.00 0.57 C ATOM 1325 OD1 ASN A 81 97.535 1.651 4.967 1.00 1.19 O ATOM 1326 ND2 ASN A 81 95.538 0.847 4.602 1.00 0.95 N ATOM 0 H ASN A 81 96.668 2.022 0.241 1.00 0.38 H new ATOM 0 HA ASN A 81 98.118 0.377 2.123 1.00 0.43 H new ATOM 0 HB2 ASN A 81 97.464 2.691 2.636 1.00 0.47 H new ATOM 0 HB3 ASN A 81 95.770 2.310 2.401 1.00 0.47 H new ATOM 0 HD21 ASN A 81 95.459 0.545 5.573 1.00 0.95 H new ATOM 0 HD22 ASN A 81 94.771 0.678 3.951 1.00 0.95 H new ATOM 1333 N ASN A 82 95.071 -0.476 1.305 1.00 0.43 N ATOM 1334 CA ASN A 82 94.072 -1.568 1.465 1.00 0.48 C ATOM 1335 C ASN A 82 94.700 -2.886 1.013 1.00 0.44 C ATOM 1336 O ASN A 82 94.364 -3.947 1.502 1.00 0.54 O ATOM 1337 CB ASN A 82 92.841 -1.266 0.606 1.00 0.52 C ATOM 1338 CG ASN A 82 91.573 -1.569 1.407 1.00 1.11 C ATOM 1339 OD1 ASN A 82 91.624 -2.248 2.413 1.00 1.72 O ATOM 1340 ND2 ASN A 82 90.429 -1.091 0.999 1.00 1.61 N ATOM 0 H ASN A 82 94.862 0.200 0.570 1.00 0.43 H new ATOM 0 HA ASN A 82 93.771 -1.642 2.510 1.00 0.48 H new ATOM 0 HB2 ASN A 82 92.848 -0.221 0.297 1.00 0.52 H new ATOM 0 HB3 ASN A 82 92.862 -1.867 -0.303 1.00 0.52 H new ATOM 0 HD21 ASN A 82 89.577 -1.288 1.525 1.00 1.61 H new ATOM 0 HD22 ASN A 82 90.387 -0.521 0.154 1.00 1.61 H new ATOM 1347 N TYR A 83 95.616 -2.826 0.085 1.00 0.40 N ATOM 1348 CA TYR A 83 96.273 -4.074 -0.397 1.00 0.42 C ATOM 1349 C TYR A 83 97.337 -4.505 0.618 1.00 0.37 C ATOM 1350 O TYR A 83 97.195 -5.507 1.289 1.00 0.43 O ATOM 1351 CB TYR A 83 96.921 -3.805 -1.761 1.00 0.52 C ATOM 1352 CG TYR A 83 97.811 -4.963 -2.169 1.00 0.51 C ATOM 1353 CD1 TYR A 83 97.697 -6.209 -1.539 1.00 1.10 C ATOM 1354 CD2 TYR A 83 98.758 -4.782 -3.186 1.00 1.19 C ATOM 1355 CE1 TYR A 83 98.527 -7.267 -1.923 1.00 1.05 C ATOM 1356 CE2 TYR A 83 99.586 -5.840 -3.570 1.00 1.32 C ATOM 1357 CZ TYR A 83 99.472 -7.083 -2.938 1.00 0.69 C ATOM 1358 OH TYR A 83 100.292 -8.127 -3.315 1.00 0.84 O ATOM 0 H TYR A 83 95.938 -1.967 -0.360 1.00 0.40 H new ATOM 0 HA TYR A 83 95.537 -4.871 -0.502 1.00 0.42 H new ATOM 0 HB2 TYR A 83 96.147 -3.652 -2.513 1.00 0.52 H new ATOM 0 HB3 TYR A 83 97.507 -2.887 -1.716 1.00 0.52 H new ATOM 0 HD1 TYR A 83 96.967 -6.353 -0.756 1.00 1.10 H new ATOM 0 HD2 TYR A 83 98.848 -3.823 -3.674 1.00 1.19 H new ATOM 0 HE1 TYR A 83 98.438 -8.227 -1.436 1.00 1.05 H new ATOM 0 HE2 TYR A 83 100.314 -5.698 -4.355 1.00 1.32 H new ATOM 0 HH TYR A 83 101.215 -7.807 -3.390 1.00 0.84 H new ATOM 1368 N ALA A 84 98.401 -3.760 0.734 1.00 0.38 N ATOM 1369 CA ALA A 84 99.469 -4.134 1.705 1.00 0.42 C ATOM 1370 C ALA A 84 98.849 -4.402 3.078 1.00 0.43 C ATOM 1371 O ALA A 84 99.302 -5.251 3.819 1.00 0.46 O ATOM 1372 CB ALA A 84 100.478 -2.990 1.817 1.00 0.53 C ATOM 0 H ALA A 84 98.578 -2.909 0.200 1.00 0.38 H new ATOM 0 HA ALA A 84 99.974 -5.035 1.356 1.00 0.42 H new ATOM 0 HB1 ALA A 84 101.259 -3.262 2.527 1.00 0.53 H new ATOM 0 HB2 ALA A 84 100.924 -2.802 0.841 1.00 0.53 H new ATOM 0 HB3 ALA A 84 99.970 -2.090 2.164 1.00 0.53 H new ATOM 1378 N GLN A 85 97.818 -3.683 3.424 1.00 0.54 N ATOM 1379 CA GLN A 85 97.172 -3.895 4.752 1.00 0.62 C ATOM 1380 C GLN A 85 96.465 -5.251 4.766 1.00 0.61 C ATOM 1381 O GLN A 85 96.458 -5.946 5.762 1.00 0.70 O ATOM 1382 CB GLN A 85 96.153 -2.784 5.010 1.00 0.76 C ATOM 1383 CG GLN A 85 95.560 -2.951 6.410 1.00 1.12 C ATOM 1384 CD GLN A 85 96.465 -2.264 7.434 1.00 1.17 C ATOM 1385 OE1 GLN A 85 96.204 -1.149 7.842 1.00 1.77 O ATOM 1386 NE2 GLN A 85 97.526 -2.886 7.871 1.00 1.47 N ATOM 0 H GLN A 85 97.394 -2.958 2.846 1.00 0.54 H new ATOM 0 HA GLN A 85 97.933 -3.875 5.532 1.00 0.62 H new ATOM 0 HB2 GLN A 85 96.632 -1.809 4.920 1.00 0.76 H new ATOM 0 HB3 GLN A 85 95.362 -2.821 4.261 1.00 0.76 H new ATOM 0 HG2 GLN A 85 94.560 -2.520 6.446 1.00 1.12 H new ATOM 0 HG3 GLN A 85 95.460 -4.010 6.650 1.00 1.12 H new ATOM 0 HE21 GLN A 85 97.746 -3.822 7.529 1.00 1.47 H new ATOM 0 HE22 GLN A 85 98.135 -2.437 8.554 1.00 1.47 H new ATOM 1395 N LYS A 86 95.877 -5.637 3.667 1.00 0.62 N ATOM 1396 CA LYS A 86 95.180 -6.952 3.621 1.00 0.68 C ATOM 1397 C LYS A 86 96.191 -8.061 3.914 1.00 0.64 C ATOM 1398 O LYS A 86 95.832 -9.186 4.198 1.00 0.76 O ATOM 1399 CB LYS A 86 94.579 -7.162 2.230 1.00 0.74 C ATOM 1400 CG LYS A 86 93.131 -7.637 2.363 1.00 1.15 C ATOM 1401 CD LYS A 86 92.512 -7.784 0.972 1.00 1.51 C ATOM 1402 CE LYS A 86 91.464 -8.899 0.995 1.00 2.02 C ATOM 1403 NZ LYS A 86 90.379 -8.581 0.024 1.00 2.67 N ATOM 0 H LYS A 86 95.849 -5.099 2.801 1.00 0.62 H new ATOM 0 HA LYS A 86 94.383 -6.974 4.364 1.00 0.68 H new ATOM 0 HB2 LYS A 86 94.617 -6.232 1.662 1.00 0.74 H new ATOM 0 HB3 LYS A 86 95.164 -7.897 1.677 1.00 0.74 H new ATOM 0 HG2 LYS A 86 93.097 -8.590 2.890 1.00 1.15 H new ATOM 0 HG3 LYS A 86 92.556 -6.925 2.955 1.00 1.15 H new ATOM 0 HD2 LYS A 86 92.052 -6.844 0.666 1.00 1.51 H new ATOM 0 HD3 LYS A 86 93.286 -8.013 0.240 1.00 1.51 H new ATOM 0 HE2 LYS A 86 91.926 -9.853 0.740 1.00 2.02 H new ATOM 0 HE3 LYS A 86 91.050 -9.003 1.998 1.00 2.02 H new ATOM 0 HZ1 LYS A 86 89.667 -9.338 0.039 1.00 2.67 H new ATOM 0 HZ2 LYS A 86 89.932 -7.680 0.286 1.00 2.67 H new ATOM 0 HZ3 LYS A 86 90.781 -8.503 -0.932 1.00 2.67 H new ATOM 1417 N LEU A 87 97.456 -7.747 3.842 1.00 0.61 N ATOM 1418 CA LEU A 87 98.498 -8.774 4.111 1.00 0.66 C ATOM 1419 C LEU A 87 99.040 -8.595 5.530 1.00 0.72 C ATOM 1420 O LEU A 87 100.224 -8.421 5.735 1.00 0.87 O ATOM 1421 CB LEU A 87 99.636 -8.605 3.103 1.00 0.69 C ATOM 1422 CG LEU A 87 99.052 -8.540 1.693 1.00 0.69 C ATOM 1423 CD1 LEU A 87 99.672 -7.365 0.936 1.00 0.75 C ATOM 1424 CD2 LEU A 87 99.363 -9.842 0.954 1.00 0.77 C ATOM 0 H LEU A 87 97.812 -6.820 3.608 1.00 0.61 H new ATOM 0 HA LEU A 87 98.066 -9.770 4.016 1.00 0.66 H new ATOM 0 HB2 LEU A 87 100.198 -7.696 3.319 1.00 0.69 H new ATOM 0 HB3 LEU A 87 100.335 -9.438 3.182 1.00 0.69 H new ATOM 0 HG LEU A 87 97.972 -8.403 1.753 1.00 0.69 H new ATOM 0 HD11 LEU A 87 99.255 -7.319 -0.070 1.00 0.75 H new ATOM 0 HD12 LEU A 87 99.452 -6.436 1.463 1.00 0.75 H new ATOM 0 HD13 LEU A 87 100.752 -7.501 0.875 1.00 0.75 H new ATOM 0 HD21 LEU A 87 98.947 -9.797 -0.052 1.00 0.77 H new ATOM 0 HD22 LEU A 87 100.443 -9.978 0.895 1.00 0.77 H new ATOM 0 HD23 LEU A 87 98.921 -10.680 1.492 1.00 0.77 H new ATOM 1436 N CYS A 88 98.182 -8.637 6.513 1.00 0.73 N ATOM 1437 CA CYS A 88 98.650 -8.471 7.918 1.00 0.83 C ATOM 1438 C CYS A 88 98.028 -9.561 8.794 1.00 0.90 C ATOM 1439 O CYS A 88 97.662 -9.325 9.928 1.00 1.14 O ATOM 1440 CB CYS A 88 98.228 -7.096 8.438 1.00 0.89 C ATOM 1441 SG CYS A 88 99.182 -6.696 9.923 1.00 1.71 S ATOM 0 H CYS A 88 97.178 -8.779 6.404 1.00 0.73 H new ATOM 0 HA CYS A 88 99.736 -8.553 7.951 1.00 0.83 H new ATOM 0 HB2 CYS A 88 98.393 -6.339 7.671 1.00 0.89 H new ATOM 0 HB3 CYS A 88 97.162 -7.092 8.665 1.00 0.89 H new ATOM 0 HG CYS A 88 100.011 -7.664 10.180 1.00 1.71 H new ATOM 1447 N THR A 89 97.904 -10.753 8.277 1.00 0.94 N ATOM 1448 CA THR A 89 97.306 -11.857 9.081 1.00 1.06 C ATOM 1449 C THR A 89 98.384 -12.892 9.409 1.00 1.12 C ATOM 1450 O THR A 89 98.093 -13.997 9.822 1.00 1.75 O ATOM 1451 CB THR A 89 96.186 -12.523 8.277 1.00 1.17 C ATOM 1452 OG1 THR A 89 96.730 -13.098 7.098 1.00 1.74 O ATOM 1453 CG2 THR A 89 95.135 -11.477 7.900 1.00 1.30 C ATOM 0 H THR A 89 98.191 -11.010 7.333 1.00 0.94 H new ATOM 0 HA THR A 89 96.898 -11.453 10.007 1.00 1.06 H new ATOM 0 HB THR A 89 95.719 -13.302 8.879 1.00 1.17 H new ATOM 0 HG1 THR A 89 97.600 -12.690 6.907 1.00 1.74 H new ATOM 0 HG21 THR A 89 94.338 -11.952 7.328 1.00 1.30 H new ATOM 0 HG22 THR A 89 94.718 -11.037 8.806 1.00 1.30 H new ATOM 0 HG23 THR A 89 95.599 -10.696 7.297 1.00 1.30 H new ATOM 1461 N PHE A 90 99.628 -12.543 9.226 1.00 0.82 N ATOM 1462 CA PHE A 90 100.728 -13.506 9.527 1.00 0.84 C ATOM 1463 C PHE A 90 101.886 -12.763 10.198 1.00 0.82 C ATOM 1464 O PHE A 90 102.969 -13.290 10.352 1.00 1.55 O ATOM 1465 CB PHE A 90 101.224 -14.161 8.229 1.00 0.93 C ATOM 1466 CG PHE A 90 100.865 -13.296 7.041 1.00 0.90 C ATOM 1467 CD1 PHE A 90 99.573 -13.346 6.505 1.00 1.35 C ATOM 1468 CD2 PHE A 90 101.824 -12.447 6.477 1.00 1.07 C ATOM 1469 CE1 PHE A 90 99.239 -12.546 5.406 1.00 1.51 C ATOM 1470 CE2 PHE A 90 101.490 -11.647 5.377 1.00 1.20 C ATOM 1471 CZ PHE A 90 100.198 -11.697 4.842 1.00 1.24 C ATOM 0 H PHE A 90 99.932 -11.632 8.881 1.00 0.82 H new ATOM 0 HA PHE A 90 100.352 -14.280 10.196 1.00 0.84 H new ATOM 0 HB2 PHE A 90 102.304 -14.302 8.273 1.00 0.93 H new ATOM 0 HB3 PHE A 90 100.778 -15.149 8.117 1.00 0.93 H new ATOM 0 HD1 PHE A 90 98.833 -14.002 6.940 1.00 1.35 H new ATOM 0 HD2 PHE A 90 102.821 -12.409 6.890 1.00 1.07 H new ATOM 0 HE1 PHE A 90 98.242 -12.584 4.993 1.00 1.51 H new ATOM 0 HE2 PHE A 90 102.230 -10.991 4.942 1.00 1.20 H new ATOM 0 HZ PHE A 90 99.941 -11.080 3.994 1.00 1.24 H new ATOM 1481 N SER A 91 101.661 -11.542 10.600 1.00 0.78 N ATOM 1482 CA SER A 91 102.742 -10.759 11.264 1.00 0.66 C ATOM 1483 C SER A 91 102.371 -9.275 11.245 1.00 0.58 C ATOM 1484 O SER A 91 101.308 -8.899 10.792 1.00 0.67 O ATOM 1485 CB SER A 91 104.061 -10.966 10.518 1.00 0.74 C ATOM 1486 OG SER A 91 104.963 -11.683 11.351 1.00 1.42 O ATOM 0 H SER A 91 100.773 -11.051 10.497 1.00 0.78 H new ATOM 0 HA SER A 91 102.857 -11.096 12.294 1.00 0.66 H new ATOM 0 HB2 SER A 91 103.887 -11.516 9.593 1.00 0.74 H new ATOM 0 HB3 SER A 91 104.491 -10.003 10.241 1.00 0.74 H new ATOM 0 HG SER A 91 104.685 -12.621 11.403 1.00 1.42 H new ATOM 1492 N PHE A 92 103.234 -8.427 11.734 1.00 0.53 N ATOM 1493 CA PHE A 92 102.920 -6.971 11.741 1.00 0.48 C ATOM 1494 C PHE A 92 102.997 -6.426 10.311 1.00 0.46 C ATOM 1495 O PHE A 92 103.335 -7.136 9.384 1.00 0.50 O ATOM 1496 CB PHE A 92 103.920 -6.235 12.642 1.00 0.46 C ATOM 1497 CG PHE A 92 105.218 -6.002 11.902 1.00 0.39 C ATOM 1498 CD1 PHE A 92 106.173 -7.022 11.819 1.00 1.02 C ATOM 1499 CD2 PHE A 92 105.466 -4.762 11.301 1.00 1.13 C ATOM 1500 CE1 PHE A 92 107.372 -6.802 11.137 1.00 0.96 C ATOM 1501 CE2 PHE A 92 106.666 -4.543 10.618 1.00 1.19 C ATOM 1502 CZ PHE A 92 107.620 -5.563 10.535 1.00 0.45 C ATOM 0 H PHE A 92 104.141 -8.679 12.128 1.00 0.53 H new ATOM 0 HA PHE A 92 101.913 -6.814 12.128 1.00 0.48 H new ATOM 0 HB2 PHE A 92 103.499 -5.282 12.962 1.00 0.46 H new ATOM 0 HB3 PHE A 92 104.107 -6.819 13.543 1.00 0.46 H new ATOM 0 HD1 PHE A 92 105.983 -7.979 12.282 1.00 1.02 H new ATOM 0 HD2 PHE A 92 104.730 -3.974 11.365 1.00 1.13 H new ATOM 0 HE1 PHE A 92 108.109 -7.589 11.074 1.00 0.96 H new ATOM 0 HE2 PHE A 92 106.857 -3.586 10.154 1.00 1.19 H new ATOM 0 HZ PHE A 92 108.547 -5.395 10.007 1.00 0.45 H new ATOM 1512 N LEU A 93 102.687 -5.173 10.124 1.00 0.44 N ATOM 1513 CA LEU A 93 102.745 -4.590 8.754 1.00 0.43 C ATOM 1514 C LEU A 93 102.834 -3.066 8.846 1.00 0.42 C ATOM 1515 O LEU A 93 102.123 -2.437 9.604 1.00 0.50 O ATOM 1516 CB LEU A 93 101.485 -4.979 7.979 1.00 0.50 C ATOM 1517 CG LEU A 93 101.623 -4.528 6.524 1.00 0.63 C ATOM 1518 CD1 LEU A 93 101.554 -5.748 5.603 1.00 0.58 C ATOM 1519 CD2 LEU A 93 100.486 -3.564 6.179 1.00 1.13 C ATOM 0 H LEU A 93 102.396 -4.528 10.859 1.00 0.44 H new ATOM 0 HA LEU A 93 103.625 -4.974 8.237 1.00 0.43 H new ATOM 0 HB2 LEU A 93 101.336 -6.058 8.024 1.00 0.50 H new ATOM 0 HB3 LEU A 93 100.608 -4.517 8.433 1.00 0.50 H new ATOM 0 HG LEU A 93 102.580 -4.024 6.389 1.00 0.63 H new ATOM 0 HD11 LEU A 93 101.652 -5.427 4.566 1.00 0.58 H new ATOM 0 HD12 LEU A 93 102.364 -6.435 5.848 1.00 0.58 H new ATOM 0 HD13 LEU A 93 100.597 -6.252 5.738 1.00 0.58 H new ATOM 0 HD21 LEU A 93 100.584 -3.242 5.142 1.00 1.13 H new ATOM 0 HD22 LEU A 93 99.529 -4.067 6.314 1.00 1.13 H new ATOM 0 HD23 LEU A 93 100.534 -2.695 6.835 1.00 1.13 H new ATOM 1531 N ILE A 94 103.701 -2.469 8.076 1.00 0.42 N ATOM 1532 CA ILE A 94 103.835 -0.986 8.111 1.00 0.43 C ATOM 1533 C ILE A 94 104.041 -0.466 6.688 1.00 0.40 C ATOM 1534 O ILE A 94 105.078 0.076 6.358 1.00 0.48 O ATOM 1535 CB ILE A 94 105.037 -0.601 8.975 1.00 0.50 C ATOM 1536 CG1 ILE A 94 104.794 -1.051 10.418 1.00 0.66 C ATOM 1537 CG2 ILE A 94 105.224 0.917 8.942 1.00 0.65 C ATOM 1538 CD1 ILE A 94 106.105 -1.552 11.025 1.00 0.66 C ATOM 0 H ILE A 94 104.323 -2.945 7.423 1.00 0.42 H new ATOM 0 HA ILE A 94 102.932 -0.547 8.534 1.00 0.43 H new ATOM 0 HB ILE A 94 105.932 -1.087 8.587 1.00 0.50 H new ATOM 0 HG12 ILE A 94 104.402 -0.222 11.007 1.00 0.66 H new ATOM 0 HG13 ILE A 94 104.044 -1.842 10.442 1.00 0.66 H new ATOM 0 HG21 ILE A 94 106.081 1.192 9.558 1.00 0.65 H new ATOM 0 HG22 ILE A 94 105.397 1.240 7.915 1.00 0.65 H new ATOM 0 HG23 ILE A 94 104.328 1.402 9.329 1.00 0.65 H new ATOM 0 HD11 ILE A 94 105.931 -1.872 12.052 1.00 0.66 H new ATOM 0 HD12 ILE A 94 106.478 -2.393 10.441 1.00 0.66 H new ATOM 0 HD13 ILE A 94 106.841 -0.748 11.015 1.00 0.66 H new ATOM 1550 N CYS A 95 103.063 -0.628 5.841 1.00 0.37 N ATOM 1551 CA CYS A 95 103.204 -0.145 4.440 1.00 0.39 C ATOM 1552 C CYS A 95 102.815 1.333 4.369 1.00 0.41 C ATOM 1553 O CYS A 95 101.797 1.741 4.894 1.00 0.60 O ATOM 1554 CB CYS A 95 102.287 -0.960 3.524 1.00 0.45 C ATOM 1555 SG CYS A 95 102.254 -0.207 1.878 1.00 0.56 S ATOM 0 H CYS A 95 102.172 -1.074 6.059 1.00 0.37 H new ATOM 0 HA CYS A 95 104.238 -0.264 4.117 1.00 0.39 H new ATOM 0 HB2 CYS A 95 102.642 -1.988 3.458 1.00 0.45 H new ATOM 0 HB3 CYS A 95 101.280 -0.997 3.939 1.00 0.45 H new ATOM 0 HG CYS A 95 101.044 -0.251 1.405 1.00 0.56 H new ATOM 1561 N LYS A 96 103.615 2.141 3.728 1.00 0.36 N ATOM 1562 CA LYS A 96 103.283 3.591 3.631 1.00 0.40 C ATOM 1563 C LYS A 96 103.688 4.118 2.253 1.00 0.41 C ATOM 1564 O LYS A 96 104.318 3.430 1.475 1.00 0.70 O ATOM 1565 CB LYS A 96 104.044 4.360 4.714 1.00 0.49 C ATOM 1566 CG LYS A 96 103.047 5.033 5.659 1.00 0.88 C ATOM 1567 CD LYS A 96 103.653 5.124 7.061 1.00 1.25 C ATOM 1568 CE LYS A 96 102.867 6.139 7.892 1.00 1.61 C ATOM 1569 NZ LYS A 96 102.773 5.662 9.301 1.00 2.13 N ATOM 0 H LYS A 96 104.482 1.861 3.269 1.00 0.36 H new ATOM 0 HA LYS A 96 102.211 3.728 3.771 1.00 0.40 H new ATOM 0 HB2 LYS A 96 104.689 3.681 5.272 1.00 0.49 H new ATOM 0 HB3 LYS A 96 104.690 5.109 4.257 1.00 0.49 H new ATOM 0 HG2 LYS A 96 102.799 6.029 5.293 1.00 0.88 H new ATOM 0 HG3 LYS A 96 102.118 4.464 5.689 1.00 0.88 H new ATOM 0 HD2 LYS A 96 103.629 4.147 7.543 1.00 1.25 H new ATOM 0 HD3 LYS A 96 104.699 5.422 6.998 1.00 1.25 H new ATOM 0 HE2 LYS A 96 103.359 7.111 7.858 1.00 1.61 H new ATOM 0 HE3 LYS A 96 101.869 6.272 7.474 1.00 1.61 H new ATOM 0 HZ1 LYS A 96 102.758 6.479 9.944 1.00 2.13 H new ATOM 0 HZ2 LYS A 96 101.900 5.109 9.423 1.00 2.13 H new ATOM 0 HZ3 LYS A 96 103.595 5.064 9.521 1.00 2.13 H new ATOM 1583 N GLY A 97 103.333 5.337 1.945 1.00 0.44 N ATOM 1584 CA GLY A 97 103.701 5.908 0.619 1.00 0.43 C ATOM 1585 C GLY A 97 105.036 6.645 0.738 1.00 0.41 C ATOM 1586 O GLY A 97 105.580 6.791 1.814 1.00 0.53 O ATOM 0 H GLY A 97 102.804 5.961 2.555 1.00 0.44 H new ATOM 0 HA2 GLY A 97 103.776 5.114 -0.124 1.00 0.43 H new ATOM 0 HA3 GLY A 97 102.924 6.592 0.277 1.00 0.43 H new ATOM 1590 N VAL A 98 105.571 7.111 -0.358 1.00 0.35 N ATOM 1591 CA VAL A 98 106.872 7.836 -0.297 1.00 0.39 C ATOM 1592 C VAL A 98 106.810 9.084 -1.178 1.00 0.43 C ATOM 1593 O VAL A 98 106.321 9.049 -2.290 1.00 0.54 O ATOM 1594 CB VAL A 98 107.990 6.919 -0.797 1.00 0.45 C ATOM 1595 CG1 VAL A 98 109.330 7.651 -0.707 1.00 0.59 C ATOM 1596 CG2 VAL A 98 108.039 5.659 0.070 1.00 0.64 C ATOM 0 H VAL A 98 105.165 7.021 -1.290 1.00 0.35 H new ATOM 0 HA VAL A 98 107.071 8.130 0.733 1.00 0.39 H new ATOM 0 HB VAL A 98 107.797 6.642 -1.833 1.00 0.45 H new ATOM 0 HG11 VAL A 98 110.126 6.997 -1.063 1.00 0.59 H new ATOM 0 HG12 VAL A 98 109.296 8.550 -1.323 1.00 0.59 H new ATOM 0 HG13 VAL A 98 109.524 7.928 0.329 1.00 0.59 H new ATOM 0 HG21 VAL A 98 108.835 5.004 -0.285 1.00 0.64 H new ATOM 0 HG22 VAL A 98 108.233 5.937 1.106 1.00 0.64 H new ATOM 0 HG23 VAL A 98 107.084 5.137 0.007 1.00 0.64 H new ATOM 1606 N ASN A 99 107.307 10.188 -0.691 1.00 0.47 N ATOM 1607 CA ASN A 99 107.285 11.438 -1.500 1.00 0.59 C ATOM 1608 C ASN A 99 108.585 11.543 -2.299 1.00 0.58 C ATOM 1609 O ASN A 99 108.583 11.879 -3.467 1.00 0.75 O ATOM 1610 CB ASN A 99 107.159 12.647 -0.570 1.00 0.75 C ATOM 1611 CG ASN A 99 105.685 12.883 -0.236 1.00 0.90 C ATOM 1612 OD1 ASN A 99 104.812 12.523 -1.001 1.00 1.73 O ATOM 1613 ND2 ASN A 99 105.369 13.476 0.882 1.00 1.12 N ATOM 0 H ASN A 99 107.728 10.278 0.234 1.00 0.47 H new ATOM 0 HA ASN A 99 106.435 11.417 -2.183 1.00 0.59 H new ATOM 0 HB2 ASN A 99 107.727 12.476 0.344 1.00 0.75 H new ATOM 0 HB3 ASN A 99 107.581 13.532 -1.047 1.00 0.75 H new ATOM 0 HD21 ASN A 99 104.389 13.638 1.114 1.00 1.12 H new ATOM 0 HD22 ASN A 99 106.102 13.778 1.524 1.00 1.12 H new ATOM 1620 N LYS A 100 109.696 11.253 -1.679 1.00 0.59 N ATOM 1621 CA LYS A 100 110.996 11.331 -2.402 1.00 0.64 C ATOM 1622 C LYS A 100 111.536 9.916 -2.620 1.00 0.54 C ATOM 1623 O LYS A 100 112.189 9.350 -1.766 1.00 0.53 O ATOM 1624 CB LYS A 100 111.995 12.140 -1.572 1.00 0.74 C ATOM 1625 CG LYS A 100 112.409 13.392 -2.350 1.00 1.19 C ATOM 1626 CD LYS A 100 112.810 14.495 -1.368 1.00 1.37 C ATOM 1627 CE LYS A 100 112.248 15.835 -1.846 1.00 1.82 C ATOM 1628 NZ LYS A 100 113.367 16.711 -2.296 1.00 2.39 N ATOM 0 H LYS A 100 109.759 10.965 -0.702 1.00 0.59 H new ATOM 0 HA LYS A 100 110.851 11.819 -3.366 1.00 0.64 H new ATOM 0 HB2 LYS A 100 111.548 12.422 -0.619 1.00 0.74 H new ATOM 0 HB3 LYS A 100 112.872 11.533 -1.345 1.00 0.74 H new ATOM 0 HG2 LYS A 100 113.242 13.161 -3.014 1.00 1.19 H new ATOM 0 HG3 LYS A 100 111.585 13.732 -2.978 1.00 1.19 H new ATOM 0 HD2 LYS A 100 112.432 14.265 -0.372 1.00 1.37 H new ATOM 0 HD3 LYS A 100 113.896 14.551 -1.291 1.00 1.37 H new ATOM 0 HE2 LYS A 100 111.545 15.676 -2.664 1.00 1.82 H new ATOM 0 HE3 LYS A 100 111.695 16.318 -1.040 1.00 1.82 H new ATOM 0 HZ1 LYS A 100 112.985 17.622 -2.621 1.00 2.39 H new ATOM 0 HZ2 LYS A 100 114.022 16.872 -1.504 1.00 2.39 H new ATOM 0 HZ3 LYS A 100 113.876 16.250 -3.077 1.00 2.39 H new ATOM 1642 N GLU A 101 111.262 9.340 -3.758 1.00 0.63 N ATOM 1643 CA GLU A 101 111.749 7.964 -4.039 1.00 0.66 C ATOM 1644 C GLU A 101 113.280 7.949 -4.037 1.00 0.60 C ATOM 1645 O GLU A 101 113.900 7.459 -3.114 1.00 0.65 O ATOM 1646 CB GLU A 101 111.234 7.524 -5.411 1.00 0.86 C ATOM 1647 CG GLU A 101 109.715 7.700 -5.478 1.00 2.04 C ATOM 1648 CD GLU A 101 109.380 9.035 -6.146 1.00 2.82 C ATOM 1649 OE1 GLU A 101 109.628 9.159 -7.334 1.00 3.42 O ATOM 1650 OE2 GLU A 101 108.883 9.911 -5.458 1.00 3.40 O ATOM 0 H GLU A 101 110.719 9.767 -4.508 1.00 0.63 H new ATOM 0 HA GLU A 101 111.384 7.281 -3.272 1.00 0.66 H new ATOM 0 HB2 GLU A 101 111.712 8.112 -6.194 1.00 0.86 H new ATOM 0 HB3 GLU A 101 111.496 6.481 -5.590 1.00 0.86 H new ATOM 0 HG2 GLU A 101 109.268 6.879 -6.039 1.00 2.04 H new ATOM 0 HG3 GLU A 101 109.291 7.668 -4.474 1.00 2.04 H new ATOM 1657 N TYR A 102 113.882 8.478 -5.073 1.00 0.55 N ATOM 1658 CA TYR A 102 115.378 8.510 -5.170 1.00 0.56 C ATOM 1659 C TYR A 102 116.013 8.633 -3.780 1.00 0.48 C ATOM 1660 O TYR A 102 116.818 7.818 -3.381 1.00 0.57 O ATOM 1661 CB TYR A 102 115.805 9.716 -6.012 1.00 0.66 C ATOM 1662 CG TYR A 102 117.308 9.713 -6.169 1.00 0.71 C ATOM 1663 CD1 TYR A 102 118.119 10.219 -5.145 1.00 0.77 C ATOM 1664 CD2 TYR A 102 117.890 9.205 -7.336 1.00 0.89 C ATOM 1665 CE1 TYR A 102 119.511 10.215 -5.288 1.00 0.89 C ATOM 1666 CE2 TYR A 102 119.283 9.202 -7.480 1.00 1.00 C ATOM 1667 CZ TYR A 102 120.094 9.707 -6.456 1.00 0.94 C ATOM 1668 OH TYR A 102 121.467 9.703 -6.597 1.00 1.09 O ATOM 0 H TYR A 102 113.396 8.895 -5.867 1.00 0.55 H new ATOM 0 HA TYR A 102 115.712 7.581 -5.633 1.00 0.56 H new ATOM 0 HB2 TYR A 102 115.326 9.678 -6.990 1.00 0.66 H new ATOM 0 HB3 TYR A 102 115.480 10.640 -5.534 1.00 0.66 H new ATOM 0 HD1 TYR A 102 117.670 10.612 -4.245 1.00 0.77 H new ATOM 0 HD2 TYR A 102 117.265 8.815 -8.126 1.00 0.89 H new ATOM 0 HE1 TYR A 102 120.136 10.604 -4.498 1.00 0.89 H new ATOM 0 HE2 TYR A 102 119.732 8.810 -8.381 1.00 1.00 H new ATOM 0 HH TYR A 102 121.706 9.316 -7.465 1.00 1.09 H new ATOM 1678 N LEU A 103 115.666 9.655 -3.049 1.00 0.51 N ATOM 1679 CA LEU A 103 116.256 9.846 -1.694 1.00 0.49 C ATOM 1680 C LEU A 103 116.107 8.575 -0.853 1.00 0.46 C ATOM 1681 O LEU A 103 117.079 7.937 -0.501 1.00 0.53 O ATOM 1682 CB LEU A 103 115.548 10.999 -0.996 1.00 0.56 C ATOM 1683 CG LEU A 103 116.578 12.073 -0.660 1.00 0.62 C ATOM 1684 CD1 LEU A 103 117.519 11.553 0.426 1.00 1.05 C ATOM 1685 CD2 LEU A 103 117.390 12.410 -1.910 1.00 1.19 C ATOM 0 H LEU A 103 114.996 10.370 -3.333 1.00 0.51 H new ATOM 0 HA LEU A 103 117.317 10.068 -1.803 1.00 0.49 H new ATOM 0 HB2 LEU A 103 114.770 11.410 -1.639 1.00 0.56 H new ATOM 0 HB3 LEU A 103 115.058 10.648 -0.088 1.00 0.56 H new ATOM 0 HG LEU A 103 116.066 12.967 -0.305 1.00 0.62 H new ATOM 0 HD11 LEU A 103 118.255 12.320 0.667 1.00 1.05 H new ATOM 0 HD12 LEU A 103 116.944 11.309 1.319 1.00 1.05 H new ATOM 0 HD13 LEU A 103 118.030 10.659 0.068 1.00 1.05 H new ATOM 0 HD21 LEU A 103 118.126 13.177 -1.670 1.00 1.19 H new ATOM 0 HD22 LEU A 103 117.901 11.515 -2.264 1.00 1.19 H new ATOM 0 HD23 LEU A 103 116.723 12.778 -2.689 1.00 1.19 H new ATOM 1697 N MET A 104 114.902 8.215 -0.512 1.00 0.47 N ATOM 1698 CA MET A 104 114.689 6.997 0.323 1.00 0.47 C ATOM 1699 C MET A 104 115.611 5.864 -0.142 1.00 0.44 C ATOM 1700 O MET A 104 116.481 5.427 0.583 1.00 0.52 O ATOM 1701 CB MET A 104 113.232 6.550 0.203 1.00 0.55 C ATOM 1702 CG MET A 104 113.055 5.189 0.880 1.00 0.59 C ATOM 1703 SD MET A 104 111.299 4.904 1.209 1.00 1.21 S ATOM 1704 CE MET A 104 111.508 3.601 2.447 1.00 0.88 C ATOM 0 H MET A 104 114.051 8.712 -0.776 1.00 0.47 H new ATOM 0 HA MET A 104 114.919 7.234 1.362 1.00 0.47 H new ATOM 0 HB2 MET A 104 112.576 7.286 0.667 1.00 0.55 H new ATOM 0 HB3 MET A 104 112.946 6.485 -0.847 1.00 0.55 H new ATOM 0 HG2 MET A 104 113.449 4.399 0.241 1.00 0.59 H new ATOM 0 HG3 MET A 104 113.620 5.158 1.811 1.00 0.59 H new ATOM 0 HE1 MET A 104 111.034 2.685 2.094 1.00 0.88 H new ATOM 0 HE2 MET A 104 112.571 3.421 2.610 1.00 0.88 H new ATOM 0 HE3 MET A 104 111.045 3.911 3.384 1.00 0.88 H new ATOM 1714 N TYR A 105 115.421 5.378 -1.339 1.00 0.50 N ATOM 1715 CA TYR A 105 116.282 4.265 -1.840 1.00 0.50 C ATOM 1716 C TYR A 105 117.752 4.561 -1.532 1.00 0.42 C ATOM 1717 O TYR A 105 118.511 3.678 -1.187 1.00 0.44 O ATOM 1718 CB TYR A 105 116.099 4.118 -3.353 1.00 0.57 C ATOM 1719 CG TYR A 105 117.139 3.167 -3.896 1.00 0.56 C ATOM 1720 CD1 TYR A 105 118.430 3.629 -4.178 1.00 0.59 C ATOM 1721 CD2 TYR A 105 116.814 1.822 -4.118 1.00 0.59 C ATOM 1722 CE1 TYR A 105 119.394 2.750 -4.681 1.00 0.63 C ATOM 1723 CE2 TYR A 105 117.778 0.944 -4.622 1.00 0.64 C ATOM 1724 CZ TYR A 105 119.069 1.407 -4.904 1.00 0.64 C ATOM 1725 OH TYR A 105 120.020 0.540 -5.401 1.00 0.73 O ATOM 0 H TYR A 105 114.708 5.702 -1.992 1.00 0.50 H new ATOM 0 HA TYR A 105 115.991 3.339 -1.344 1.00 0.50 H new ATOM 0 HB2 TYR A 105 115.099 3.745 -3.575 1.00 0.57 H new ATOM 0 HB3 TYR A 105 116.191 5.090 -3.837 1.00 0.57 H new ATOM 0 HD1 TYR A 105 118.682 4.665 -4.007 1.00 0.59 H new ATOM 0 HD2 TYR A 105 115.819 1.464 -3.900 1.00 0.59 H new ATOM 0 HE1 TYR A 105 120.390 3.107 -4.898 1.00 0.63 H new ATOM 0 HE2 TYR A 105 117.527 -0.092 -4.794 1.00 0.64 H new ATOM 0 HH TYR A 105 119.630 -0.354 -5.495 1.00 0.73 H new ATOM 1735 N SER A 106 118.161 5.793 -1.658 1.00 0.46 N ATOM 1736 CA SER A 106 119.584 6.141 -1.377 1.00 0.45 C ATOM 1737 C SER A 106 119.910 5.831 0.086 1.00 0.40 C ATOM 1738 O SER A 106 120.762 5.016 0.383 1.00 0.43 O ATOM 1739 CB SER A 106 119.805 7.630 -1.644 1.00 0.52 C ATOM 1740 OG SER A 106 121.188 7.865 -1.875 1.00 1.24 O ATOM 0 H SER A 106 117.572 6.575 -1.944 1.00 0.46 H new ATOM 0 HA SER A 106 120.235 5.553 -2.024 1.00 0.45 H new ATOM 0 HB2 SER A 106 119.221 7.947 -2.508 1.00 0.52 H new ATOM 0 HB3 SER A 106 119.461 8.219 -0.794 1.00 0.52 H new ATOM 0 HG SER A 106 121.333 8.819 -2.048 1.00 1.24 H new ATOM 1746 N ALA A 107 119.240 6.474 1.002 1.00 0.43 N ATOM 1747 CA ALA A 107 119.512 6.216 2.444 1.00 0.44 C ATOM 1748 C ALA A 107 119.252 4.740 2.755 1.00 0.45 C ATOM 1749 O ALA A 107 119.645 4.235 3.788 1.00 0.56 O ATOM 1750 CB ALA A 107 118.591 7.089 3.299 1.00 0.49 C ATOM 0 H ALA A 107 118.516 7.167 0.814 1.00 0.43 H new ATOM 0 HA ALA A 107 120.551 6.456 2.668 1.00 0.44 H new ATOM 0 HB1 ALA A 107 118.789 6.902 4.354 1.00 0.49 H new ATOM 0 HB2 ALA A 107 118.776 8.140 3.076 1.00 0.49 H new ATOM 0 HB3 ALA A 107 117.552 6.848 3.076 1.00 0.49 H new ATOM 1756 N LEU A 108 118.593 4.044 1.869 1.00 0.42 N ATOM 1757 CA LEU A 108 118.308 2.602 2.112 1.00 0.48 C ATOM 1758 C LEU A 108 119.502 1.760 1.658 1.00 0.49 C ATOM 1759 O LEU A 108 119.791 0.723 2.221 1.00 0.58 O ATOM 1760 CB LEU A 108 117.067 2.190 1.317 1.00 0.54 C ATOM 1761 CG LEU A 108 115.810 2.515 2.124 1.00 0.60 C ATOM 1762 CD1 LEU A 108 114.577 2.010 1.373 1.00 0.74 C ATOM 1763 CD2 LEU A 108 115.890 1.829 3.489 1.00 0.67 C ATOM 0 H LEU A 108 118.239 4.413 0.986 1.00 0.42 H new ATOM 0 HA LEU A 108 118.133 2.441 3.176 1.00 0.48 H new ATOM 0 HB2 LEU A 108 117.044 2.715 0.362 1.00 0.54 H new ATOM 0 HB3 LEU A 108 117.103 1.124 1.094 1.00 0.54 H new ATOM 0 HG LEU A 108 115.736 3.594 2.262 1.00 0.60 H new ATOM 0 HD11 LEU A 108 113.681 2.242 1.948 1.00 0.74 H new ATOM 0 HD12 LEU A 108 114.519 2.497 0.399 1.00 0.74 H new ATOM 0 HD13 LEU A 108 114.651 0.931 1.235 1.00 0.74 H new ATOM 0 HD21 LEU A 108 114.994 2.060 4.065 1.00 0.67 H new ATOM 0 HD22 LEU A 108 115.964 0.750 3.350 1.00 0.67 H new ATOM 0 HD23 LEU A 108 116.769 2.187 4.025 1.00 0.67 H new ATOM 1775 N THR A 109 120.196 2.194 0.642 1.00 0.45 N ATOM 1776 CA THR A 109 121.368 1.414 0.154 1.00 0.50 C ATOM 1777 C THR A 109 122.573 1.692 1.054 1.00 0.51 C ATOM 1778 O THR A 109 123.502 0.912 1.122 1.00 0.58 O ATOM 1779 CB THR A 109 121.695 1.824 -1.284 1.00 0.52 C ATOM 1780 OG1 THR A 109 121.930 3.224 -1.335 1.00 0.55 O ATOM 1781 CG2 THR A 109 120.522 1.467 -2.198 1.00 0.55 C ATOM 0 H THR A 109 120.002 3.054 0.129 1.00 0.45 H new ATOM 0 HA THR A 109 121.133 0.350 0.180 1.00 0.50 H new ATOM 0 HB THR A 109 122.587 1.294 -1.619 1.00 0.52 H new ATOM 0 HG1 THR A 109 121.543 3.650 -0.542 1.00 0.55 H new ATOM 0 HG21 THR A 109 120.756 1.760 -3.222 1.00 0.55 H new ATOM 0 HG22 THR A 109 120.345 0.392 -2.159 1.00 0.55 H new ATOM 0 HG23 THR A 109 119.628 1.994 -1.865 1.00 0.55 H new ATOM 1789 N ARG A 110 122.564 2.797 1.748 1.00 0.47 N ATOM 1790 CA ARG A 110 123.707 3.121 2.645 1.00 0.52 C ATOM 1791 C ARG A 110 123.448 2.525 4.031 1.00 0.52 C ATOM 1792 O ARG A 110 122.371 2.649 4.579 1.00 0.55 O ATOM 1793 CB ARG A 110 123.856 4.640 2.758 1.00 0.55 C ATOM 1794 CG ARG A 110 124.924 5.123 1.774 1.00 1.21 C ATOM 1795 CD ARG A 110 125.146 6.626 1.954 1.00 1.48 C ATOM 1796 NE ARG A 110 126.604 6.903 2.086 1.00 1.91 N ATOM 1797 CZ ARG A 110 127.029 8.134 2.175 1.00 2.40 C ATOM 1798 NH1 ARG A 110 127.312 8.806 1.093 1.00 3.00 N ATOM 1799 NH2 ARG A 110 127.172 8.692 3.346 1.00 2.94 N ATOM 0 H ARG A 110 121.814 3.489 1.732 1.00 0.47 H new ATOM 0 HA ARG A 110 124.624 2.700 2.233 1.00 0.52 H new ATOM 0 HB2 ARG A 110 122.904 5.126 2.545 1.00 0.55 H new ATOM 0 HB3 ARG A 110 124.134 4.914 3.776 1.00 0.55 H new ATOM 0 HG2 ARG A 110 125.857 4.585 1.941 1.00 1.21 H new ATOM 0 HG3 ARG A 110 124.613 4.911 0.751 1.00 1.21 H new ATOM 0 HD2 ARG A 110 124.738 7.169 1.101 1.00 1.48 H new ATOM 0 HD3 ARG A 110 124.617 6.979 2.839 1.00 1.48 H new ATOM 0 HE ARG A 110 127.270 6.131 2.107 1.00 1.91 H new ATOM 0 HH11 ARG A 110 127.201 8.369 0.178 1.00 3.00 H new ATOM 0 HH12 ARG A 110 127.644 9.768 1.162 1.00 3.00 H new ATOM 0 HH21 ARG A 110 126.952 8.166 4.192 1.00 2.94 H new ATOM 0 HH22 ARG A 110 127.504 9.654 3.415 1.00 2.94 H new ATOM 1813 N ASP A 111 124.426 1.876 4.600 1.00 0.53 N ATOM 1814 CA ASP A 111 124.236 1.270 5.949 1.00 0.59 C ATOM 1815 C ASP A 111 123.502 2.263 6.856 1.00 0.64 C ATOM 1816 O ASP A 111 123.541 3.455 6.625 1.00 0.65 O ATOM 1817 CB ASP A 111 125.605 0.940 6.551 1.00 0.67 C ATOM 1818 CG ASP A 111 126.461 0.221 5.507 1.00 1.37 C ATOM 1819 OD1 ASP A 111 126.092 -0.875 5.119 1.00 2.04 O ATOM 1820 OD2 ASP A 111 127.471 0.780 5.111 1.00 2.16 O ATOM 0 H ASP A 111 125.349 1.739 4.189 1.00 0.53 H new ATOM 0 HA ASP A 111 123.646 0.357 5.862 1.00 0.59 H new ATOM 0 HB2 ASP A 111 126.101 1.854 6.876 1.00 0.67 H new ATOM 0 HB3 ASP A 111 125.484 0.311 7.433 1.00 0.67 H new ATOM 1825 N PRO A 112 122.853 1.738 7.866 1.00 0.71 N ATOM 1826 CA PRO A 112 122.812 0.288 8.138 1.00 0.74 C ATOM 1827 C PRO A 112 121.790 -0.404 7.230 1.00 0.66 C ATOM 1828 O PRO A 112 121.506 -1.575 7.383 1.00 0.68 O ATOM 1829 CB PRO A 112 122.368 0.214 9.601 1.00 0.87 C ATOM 1830 CG PRO A 112 121.639 1.545 9.905 1.00 0.90 C ATOM 1831 CD PRO A 112 122.101 2.555 8.838 1.00 0.80 C ATOM 0 HA PRO A 112 123.766 -0.207 7.954 1.00 0.74 H new ATOM 0 HB2 PRO A 112 121.706 -0.637 9.763 1.00 0.87 H new ATOM 0 HB3 PRO A 112 123.225 0.081 10.261 1.00 0.87 H new ATOM 0 HG2 PRO A 112 120.558 1.411 9.869 1.00 0.90 H new ATOM 0 HG3 PRO A 112 121.883 1.900 10.906 1.00 0.90 H new ATOM 0 HD2 PRO A 112 121.253 3.053 8.368 1.00 0.80 H new ATOM 0 HD3 PRO A 112 122.728 3.334 9.272 1.00 0.80 H new ATOM 1839 N PHE A 113 121.231 0.309 6.291 1.00 0.60 N ATOM 1840 CA PHE A 113 120.226 -0.316 5.385 1.00 0.54 C ATOM 1841 C PHE A 113 120.943 -1.102 4.286 1.00 0.50 C ATOM 1842 O PHE A 113 121.569 -0.536 3.412 1.00 0.55 O ATOM 1843 CB PHE A 113 119.358 0.776 4.756 1.00 0.55 C ATOM 1844 CG PHE A 113 118.525 1.432 5.831 1.00 0.56 C ATOM 1845 CD1 PHE A 113 117.524 0.702 6.483 1.00 0.62 C ATOM 1846 CD2 PHE A 113 118.754 2.768 6.179 1.00 0.82 C ATOM 1847 CE1 PHE A 113 116.754 1.307 7.481 1.00 0.65 C ATOM 1848 CE2 PHE A 113 117.983 3.374 7.176 1.00 0.84 C ATOM 1849 CZ PHE A 113 116.983 2.643 7.829 1.00 0.62 C ATOM 0 H PHE A 113 121.426 1.294 6.112 1.00 0.60 H new ATOM 0 HA PHE A 113 119.594 -0.995 5.957 1.00 0.54 H new ATOM 0 HB2 PHE A 113 119.987 1.518 4.264 1.00 0.55 H new ATOM 0 HB3 PHE A 113 118.712 0.347 3.990 1.00 0.55 H new ATOM 0 HD1 PHE A 113 117.346 -0.329 6.215 1.00 0.62 H new ATOM 0 HD2 PHE A 113 119.527 3.331 5.677 1.00 0.82 H new ATOM 0 HE1 PHE A 113 115.982 0.743 7.984 1.00 0.65 H new ATOM 0 HE2 PHE A 113 118.159 4.406 7.442 1.00 0.84 H new ATOM 0 HZ PHE A 113 116.389 3.110 8.601 1.00 0.62 H new ATOM 1859 N SER A 114 120.856 -2.404 4.325 1.00 0.47 N ATOM 1860 CA SER A 114 121.532 -3.228 3.284 1.00 0.48 C ATOM 1861 C SER A 114 120.575 -3.462 2.113 1.00 0.45 C ATOM 1862 O SER A 114 119.453 -2.996 2.114 1.00 0.70 O ATOM 1863 CB SER A 114 121.939 -4.574 3.885 1.00 0.54 C ATOM 1864 OG SER A 114 123.117 -4.405 4.662 1.00 1.23 O ATOM 0 H SER A 114 120.346 -2.932 5.033 1.00 0.47 H new ATOM 0 HA SER A 114 122.419 -2.704 2.928 1.00 0.48 H new ATOM 0 HB2 SER A 114 121.133 -4.967 4.506 1.00 0.54 H new ATOM 0 HB3 SER A 114 122.114 -5.301 3.092 1.00 0.54 H new ATOM 0 HG SER A 114 123.379 -5.266 5.050 1.00 1.23 H new ATOM 1870 N VAL A 115 121.010 -4.180 1.115 1.00 0.48 N ATOM 1871 CA VAL A 115 120.127 -4.445 -0.055 1.00 0.44 C ATOM 1872 C VAL A 115 120.015 -5.956 -0.276 1.00 0.46 C ATOM 1873 O VAL A 115 120.926 -6.704 0.021 1.00 0.68 O ATOM 1874 CB VAL A 115 120.725 -3.790 -1.301 1.00 0.47 C ATOM 1875 CG1 VAL A 115 119.756 -3.944 -2.476 1.00 0.49 C ATOM 1876 CG2 VAL A 115 120.962 -2.303 -1.028 1.00 0.49 C ATOM 0 H VAL A 115 121.940 -4.595 1.059 1.00 0.48 H new ATOM 0 HA VAL A 115 119.137 -4.031 0.134 1.00 0.44 H new ATOM 0 HB VAL A 115 121.671 -4.272 -1.547 1.00 0.47 H new ATOM 0 HG11 VAL A 115 120.183 -3.477 -3.363 1.00 0.49 H new ATOM 0 HG12 VAL A 115 119.585 -5.003 -2.670 1.00 0.49 H new ATOM 0 HG13 VAL A 115 118.809 -3.462 -2.232 1.00 0.49 H new ATOM 0 HG21 VAL A 115 121.388 -1.834 -1.915 1.00 0.49 H new ATOM 0 HG22 VAL A 115 120.015 -1.823 -0.783 1.00 0.49 H new ATOM 0 HG23 VAL A 115 121.652 -2.192 -0.192 1.00 0.49 H new ATOM 1886 N ILE A 116 118.906 -6.412 -0.791 1.00 0.39 N ATOM 1887 CA ILE A 116 118.744 -7.875 -1.025 1.00 0.43 C ATOM 1888 C ILE A 116 118.502 -8.135 -2.513 1.00 0.45 C ATOM 1889 O ILE A 116 119.342 -8.680 -3.201 1.00 0.54 O ATOM 1890 CB ILE A 116 117.551 -8.394 -0.220 1.00 0.44 C ATOM 1891 CG1 ILE A 116 117.536 -7.731 1.159 1.00 0.55 C ATOM 1892 CG2 ILE A 116 117.672 -9.910 -0.053 1.00 0.55 C ATOM 1893 CD1 ILE A 116 116.152 -7.896 1.788 1.00 0.97 C ATOM 0 H ILE A 116 118.107 -5.837 -1.059 1.00 0.39 H new ATOM 0 HA ILE A 116 119.650 -8.391 -0.709 1.00 0.43 H new ATOM 0 HB ILE A 116 116.627 -8.156 -0.747 1.00 0.44 H new ATOM 0 HG12 ILE A 116 118.294 -8.181 1.799 1.00 0.55 H new ATOM 0 HG13 ILE A 116 117.783 -6.673 1.069 1.00 0.55 H new ATOM 0 HG21 ILE A 116 116.823 -10.282 0.520 1.00 0.55 H new ATOM 0 HG22 ILE A 116 117.683 -10.384 -1.034 1.00 0.55 H new ATOM 0 HG23 ILE A 116 118.597 -10.145 0.474 1.00 0.55 H new ATOM 0 HD11 ILE A 116 116.140 -7.424 2.770 1.00 0.97 H new ATOM 0 HD12 ILE A 116 115.404 -7.425 1.150 1.00 0.97 H new ATOM 0 HD13 ILE A 116 115.924 -8.957 1.892 1.00 0.97 H new ATOM 1905 N GLU A 117 117.359 -7.754 -3.015 1.00 0.42 N ATOM 1906 CA GLU A 117 117.070 -7.987 -4.460 1.00 0.50 C ATOM 1907 C GLU A 117 116.343 -6.773 -5.043 1.00 0.43 C ATOM 1908 O GLU A 117 115.821 -5.946 -4.324 1.00 0.68 O ATOM 1909 CB GLU A 117 116.190 -9.230 -4.610 1.00 0.64 C ATOM 1910 CG GLU A 117 117.040 -10.398 -5.114 1.00 1.27 C ATOM 1911 CD GLU A 117 116.171 -11.652 -5.235 1.00 1.60 C ATOM 1912 OE1 GLU A 117 114.979 -11.547 -4.997 1.00 2.31 O ATOM 1913 OE2 GLU A 117 116.712 -12.694 -5.563 1.00 1.94 O ATOM 0 H GLU A 117 116.615 -7.293 -2.490 1.00 0.42 H new ATOM 0 HA GLU A 117 118.007 -8.137 -4.996 1.00 0.50 H new ATOM 0 HB2 GLU A 117 115.735 -9.484 -3.653 1.00 0.64 H new ATOM 0 HB3 GLU A 117 115.376 -9.031 -5.307 1.00 0.64 H new ATOM 0 HG2 GLU A 117 117.477 -10.152 -6.082 1.00 1.27 H new ATOM 0 HG3 GLU A 117 117.867 -10.581 -4.428 1.00 1.27 H new ATOM 1920 N GLU A 118 116.306 -6.660 -6.344 1.00 0.43 N ATOM 1921 CA GLU A 118 115.613 -5.497 -6.972 1.00 0.36 C ATOM 1922 C GLU A 118 115.290 -5.812 -8.433 1.00 0.42 C ATOM 1923 O GLU A 118 115.988 -6.561 -9.088 1.00 0.66 O ATOM 1924 CB GLU A 118 116.510 -4.252 -6.918 1.00 0.35 C ATOM 1925 CG GLU A 118 117.974 -4.658 -6.722 1.00 0.79 C ATOM 1926 CD GLU A 118 118.877 -3.713 -7.515 1.00 1.47 C ATOM 1927 OE1 GLU A 118 118.541 -3.415 -8.649 1.00 2.15 O ATOM 1928 OE2 GLU A 118 119.891 -3.302 -6.974 1.00 2.20 O ATOM 0 H GLU A 118 116.725 -7.321 -6.998 1.00 0.43 H new ATOM 0 HA GLU A 118 114.692 -5.305 -6.422 1.00 0.36 H new ATOM 0 HB2 GLU A 118 116.405 -3.680 -7.840 1.00 0.35 H new ATOM 0 HB3 GLU A 118 116.193 -3.603 -6.102 1.00 0.35 H new ATOM 0 HG2 GLU A 118 118.233 -4.623 -5.664 1.00 0.79 H new ATOM 0 HG3 GLU A 118 118.125 -5.685 -7.053 1.00 0.79 H new ATOM 1935 N SER A 119 114.239 -5.236 -8.951 1.00 0.43 N ATOM 1936 CA SER A 119 113.872 -5.490 -10.372 1.00 0.51 C ATOM 1937 C SER A 119 114.703 -4.574 -11.272 1.00 0.52 C ATOM 1938 O SER A 119 114.900 -4.845 -12.440 1.00 0.66 O ATOM 1939 CB SER A 119 112.385 -5.198 -10.576 1.00 0.63 C ATOM 1940 OG SER A 119 112.196 -4.594 -11.849 1.00 1.45 O ATOM 0 H SER A 119 113.619 -4.600 -8.450 1.00 0.43 H new ATOM 0 HA SER A 119 114.070 -6.532 -10.624 1.00 0.51 H new ATOM 0 HB2 SER A 119 111.809 -6.121 -10.509 1.00 0.63 H new ATOM 0 HB3 SER A 119 112.021 -4.537 -9.789 1.00 0.63 H new ATOM 0 HG SER A 119 111.244 -4.407 -11.984 1.00 1.45 H new ATOM 1946 N LEU A 120 115.199 -3.492 -10.733 1.00 0.54 N ATOM 1947 CA LEU A 120 116.025 -2.562 -11.552 1.00 0.64 C ATOM 1948 C LEU A 120 117.443 -3.133 -11.666 1.00 0.73 C ATOM 1949 O LEU A 120 117.861 -3.913 -10.833 1.00 0.81 O ATOM 1950 CB LEU A 120 116.071 -1.186 -10.873 1.00 0.67 C ATOM 1951 CG LEU A 120 114.778 -0.419 -11.172 1.00 0.86 C ATOM 1952 CD1 LEU A 120 114.823 0.959 -10.499 1.00 1.56 C ATOM 1953 CD2 LEU A 120 114.635 -0.240 -12.684 1.00 1.66 C ATOM 0 H LEU A 120 115.067 -3.213 -9.761 1.00 0.54 H new ATOM 0 HA LEU A 120 115.591 -2.453 -12.546 1.00 0.64 H new ATOM 0 HB2 LEU A 120 116.194 -1.305 -9.797 1.00 0.67 H new ATOM 0 HB3 LEU A 120 116.932 -0.621 -11.232 1.00 0.67 H new ATOM 0 HG LEU A 120 113.928 -0.981 -10.785 1.00 0.86 H new ATOM 0 HD11 LEU A 120 113.901 1.500 -10.715 1.00 1.56 H new ATOM 0 HD12 LEU A 120 114.926 0.834 -9.421 1.00 1.56 H new ATOM 0 HD13 LEU A 120 115.673 1.523 -10.882 1.00 1.56 H new ATOM 0 HD21 LEU A 120 113.716 0.305 -12.901 1.00 1.66 H new ATOM 0 HD22 LEU A 120 115.488 0.320 -13.066 1.00 1.66 H new ATOM 0 HD23 LEU A 120 114.598 -1.218 -13.164 1.00 1.66 H new ATOM 1965 N PRO A 121 118.139 -2.732 -12.698 1.00 0.91 N ATOM 1966 CA PRO A 121 119.515 -3.196 -12.953 1.00 1.11 C ATOM 1967 C PRO A 121 120.498 -2.488 -12.018 1.00 1.06 C ATOM 1968 O PRO A 121 121.581 -2.973 -11.753 1.00 1.51 O ATOM 1969 CB PRO A 121 119.761 -2.805 -14.413 1.00 1.36 C ATOM 1970 CG PRO A 121 118.762 -1.667 -14.733 1.00 1.34 C ATOM 1971 CD PRO A 121 117.624 -1.778 -13.701 1.00 1.08 C ATOM 0 HA PRO A 121 119.650 -4.263 -12.778 1.00 1.11 H new ATOM 0 HB2 PRO A 121 120.789 -2.472 -14.558 1.00 1.36 H new ATOM 0 HB3 PRO A 121 119.605 -3.657 -15.075 1.00 1.36 H new ATOM 0 HG2 PRO A 121 119.249 -0.694 -14.669 1.00 1.34 H new ATOM 0 HG3 PRO A 121 118.376 -1.764 -15.748 1.00 1.34 H new ATOM 0 HD2 PRO A 121 117.397 -0.811 -13.252 1.00 1.08 H new ATOM 0 HD3 PRO A 121 116.704 -2.140 -14.160 1.00 1.08 H new ATOM 1979 N GLY A 122 120.124 -1.348 -11.512 1.00 1.25 N ATOM 1980 CA GLY A 122 121.023 -0.604 -10.588 1.00 1.38 C ATOM 1981 C GLY A 122 120.174 0.303 -9.699 1.00 1.19 C ATOM 1982 O GLY A 122 120.385 1.498 -9.630 1.00 1.48 O ATOM 0 H GLY A 122 119.229 -0.897 -11.700 1.00 1.25 H new ATOM 0 HA2 GLY A 122 121.597 -1.301 -9.977 1.00 1.38 H new ATOM 0 HA3 GLY A 122 121.741 -0.012 -11.155 1.00 1.38 H new ATOM 1986 N GLY A 123 119.205 -0.256 -9.028 1.00 1.02 N ATOM 1987 CA GLY A 123 118.329 0.572 -8.155 1.00 0.92 C ATOM 1988 C GLY A 123 117.635 1.631 -9.014 1.00 0.78 C ATOM 1989 O GLY A 123 117.714 1.605 -10.225 1.00 1.06 O ATOM 0 H GLY A 123 118.983 -1.251 -9.047 1.00 1.02 H new ATOM 0 HA2 GLY A 123 117.589 -0.056 -7.659 1.00 0.92 H new ATOM 0 HA3 GLY A 123 118.919 1.049 -7.372 1.00 0.92 H new ATOM 1993 N LEU A 124 116.950 2.556 -8.401 1.00 0.88 N ATOM 1994 CA LEU A 124 116.240 3.604 -9.190 1.00 0.97 C ATOM 1995 C LEU A 124 117.230 4.619 -9.761 1.00 1.06 C ATOM 1996 O LEU A 124 118.428 4.509 -9.588 1.00 1.39 O ATOM 1997 CB LEU A 124 115.243 4.326 -8.288 1.00 1.20 C ATOM 1998 CG LEU A 124 114.269 3.308 -7.705 1.00 1.13 C ATOM 1999 CD1 LEU A 124 113.885 3.719 -6.283 1.00 1.26 C ATOM 2000 CD2 LEU A 124 113.013 3.251 -8.577 1.00 1.70 C ATOM 0 H LEU A 124 116.851 2.632 -7.389 1.00 0.88 H new ATOM 0 HA LEU A 124 115.719 3.122 -10.017 1.00 0.97 H new ATOM 0 HB2 LEU A 124 115.769 4.845 -7.487 1.00 1.20 H new ATOM 0 HB3 LEU A 124 114.701 5.082 -8.856 1.00 1.20 H new ATOM 0 HG LEU A 124 114.742 2.326 -7.681 1.00 1.13 H new ATOM 0 HD11 LEU A 124 113.189 2.990 -5.869 1.00 1.26 H new ATOM 0 HD12 LEU A 124 114.780 3.760 -5.662 1.00 1.26 H new ATOM 0 HD13 LEU A 124 113.412 4.701 -6.303 1.00 1.26 H new ATOM 0 HD21 LEU A 124 112.315 2.524 -8.162 1.00 1.70 H new ATOM 0 HD22 LEU A 124 112.542 4.234 -8.601 1.00 1.70 H new ATOM 0 HD23 LEU A 124 113.286 2.955 -9.590 1.00 1.70 H new ATOM 2012 N LYS A 125 116.724 5.610 -10.444 1.00 1.00 N ATOM 2013 CA LYS A 125 117.605 6.650 -11.043 1.00 1.16 C ATOM 2014 C LYS A 125 116.742 7.616 -11.861 1.00 1.54 C ATOM 2015 O LYS A 125 115.561 7.762 -11.614 1.00 1.67 O ATOM 2016 CB LYS A 125 118.640 5.981 -11.953 1.00 1.22 C ATOM 2017 CG LYS A 125 120.049 6.341 -11.475 1.00 1.61 C ATOM 2018 CD LYS A 125 120.437 7.723 -12.008 1.00 2.34 C ATOM 2019 CE LYS A 125 119.799 8.805 -11.134 1.00 2.64 C ATOM 2020 NZ LYS A 125 120.772 9.916 -10.932 1.00 3.74 N ATOM 0 H LYS A 125 115.727 5.744 -10.614 1.00 1.00 H new ATOM 0 HA LYS A 125 118.125 7.197 -10.256 1.00 1.16 H new ATOM 0 HB2 LYS A 125 118.506 4.899 -11.941 1.00 1.22 H new ATOM 0 HB3 LYS A 125 118.499 6.308 -12.983 1.00 1.22 H new ATOM 0 HG2 LYS A 125 120.086 6.337 -10.386 1.00 1.61 H new ATOM 0 HG3 LYS A 125 120.763 5.594 -11.821 1.00 1.61 H new ATOM 0 HD2 LYS A 125 121.521 7.833 -12.008 1.00 2.34 H new ATOM 0 HD3 LYS A 125 120.106 7.832 -13.041 1.00 2.34 H new ATOM 0 HE2 LYS A 125 118.892 9.182 -11.607 1.00 2.64 H new ATOM 0 HE3 LYS A 125 119.505 8.385 -10.172 1.00 2.64 H new ATOM 0 HZ1 LYS A 125 120.340 10.652 -10.338 1.00 3.74 H new ATOM 0 HZ2 LYS A 125 121.625 9.550 -10.463 1.00 3.74 H new ATOM 0 HZ3 LYS A 125 121.031 10.322 -11.854 1.00 3.74 H new ATOM 2034 N GLU A 126 117.311 8.276 -12.832 1.00 2.03 N ATOM 2035 CA GLU A 126 116.507 9.225 -13.653 1.00 2.51 C ATOM 2036 C GLU A 126 115.644 8.440 -14.644 1.00 2.53 C ATOM 2037 O GLU A 126 114.752 8.979 -15.268 1.00 2.94 O ATOM 2038 CB GLU A 126 117.445 10.160 -14.420 1.00 2.99 C ATOM 2039 CG GLU A 126 118.128 9.387 -15.549 1.00 3.68 C ATOM 2040 CD GLU A 126 118.912 10.360 -16.432 1.00 4.09 C ATOM 2041 OE1 GLU A 126 119.334 11.384 -15.920 1.00 4.50 O ATOM 2042 OE2 GLU A 126 119.075 10.066 -17.604 1.00 4.38 O ATOM 0 H GLU A 126 118.294 8.200 -13.092 1.00 2.03 H new ATOM 0 HA GLU A 126 115.863 9.814 -13.000 1.00 2.51 H new ATOM 0 HB2 GLU A 126 116.883 11.000 -14.829 1.00 2.99 H new ATOM 0 HB3 GLU A 126 118.193 10.575 -13.745 1.00 2.99 H new ATOM 0 HG2 GLU A 126 118.799 8.634 -15.135 1.00 3.68 H new ATOM 0 HG3 GLU A 126 117.384 8.858 -16.144 1.00 3.68 H new ATOM 2049 N HIS A 127 115.904 7.170 -14.796 1.00 2.47 N ATOM 2050 CA HIS A 127 115.099 6.355 -15.750 1.00 2.85 C ATOM 2051 C HIS A 127 113.890 5.753 -15.028 1.00 2.69 C ATOM 2052 O HIS A 127 113.093 5.049 -15.615 1.00 3.24 O ATOM 2053 CB HIS A 127 115.970 5.234 -16.327 1.00 3.34 C ATOM 2054 CG HIS A 127 116.146 4.145 -15.304 1.00 2.82 C ATOM 2055 ND1 HIS A 127 116.041 4.381 -13.942 1.00 2.28 N ATOM 2056 CD2 HIS A 127 116.418 2.807 -15.432 1.00 3.17 C ATOM 2057 CE1 HIS A 127 116.248 3.211 -13.311 1.00 2.09 C ATOM 2058 NE2 HIS A 127 116.482 2.218 -14.173 1.00 2.78 N ATOM 0 H HIS A 127 116.638 6.662 -14.302 1.00 2.47 H new ATOM 0 HA HIS A 127 114.747 6.993 -16.561 1.00 2.85 H new ATOM 0 HB2 HIS A 127 115.507 4.829 -17.227 1.00 3.34 H new ATOM 0 HB3 HIS A 127 116.942 5.631 -16.620 1.00 3.34 H new ATOM 0 HD2 HIS A 127 116.561 2.289 -16.369 1.00 3.17 H new ATOM 0 HE1 HIS A 127 116.227 3.090 -12.238 1.00 2.09 H new ATOM 0 HE2 HIS A 127 116.668 1.239 -13.955 1.00 2.78 H new ATOM 2066 N ASP A 128 113.745 6.023 -13.759 1.00 2.33 N ATOM 2067 CA ASP A 128 112.587 5.463 -13.007 1.00 2.40 C ATOM 2068 C ASP A 128 111.765 6.605 -12.409 1.00 2.02 C ATOM 2069 O ASP A 128 110.551 6.600 -12.455 1.00 2.64 O ATOM 2070 CB ASP A 128 113.096 4.556 -11.884 1.00 2.90 C ATOM 2071 CG ASP A 128 112.371 3.211 -11.946 1.00 3.86 C ATOM 2072 OD1 ASP A 128 112.395 2.595 -12.999 1.00 4.37 O ATOM 2073 OD2 ASP A 128 111.803 2.820 -10.939 1.00 4.43 O ATOM 0 H ASP A 128 114.378 6.606 -13.212 1.00 2.33 H new ATOM 0 HA ASP A 128 111.961 4.883 -13.685 1.00 2.40 H new ATOM 0 HB2 ASP A 128 114.171 4.406 -11.982 1.00 2.90 H new ATOM 0 HB3 ASP A 128 112.927 5.028 -10.916 1.00 2.90 H new ATOM 2078 N PHE A 129 112.416 7.583 -11.850 1.00 1.68 N ATOM 2079 CA PHE A 129 111.673 8.725 -11.250 1.00 2.25 C ATOM 2080 C PHE A 129 111.236 9.685 -12.358 1.00 3.02 C ATOM 2081 O PHE A 129 111.114 9.305 -13.506 1.00 3.53 O ATOM 2082 CB PHE A 129 112.585 9.458 -10.268 1.00 2.25 C ATOM 2083 CG PHE A 129 113.096 8.480 -9.239 1.00 1.47 C ATOM 2084 CD1 PHE A 129 112.218 7.562 -8.654 1.00 1.89 C ATOM 2085 CD2 PHE A 129 114.445 8.492 -8.870 1.00 1.53 C ATOM 2086 CE1 PHE A 129 112.688 6.656 -7.700 1.00 2.06 C ATOM 2087 CE2 PHE A 129 114.915 7.586 -7.915 1.00 1.53 C ATOM 2088 CZ PHE A 129 114.037 6.668 -7.330 1.00 1.68 C ATOM 0 H PHE A 129 113.432 7.642 -11.782 1.00 1.68 H new ATOM 0 HA PHE A 129 110.793 8.355 -10.724 1.00 2.25 H new ATOM 0 HB2 PHE A 129 113.420 9.914 -10.800 1.00 2.25 H new ATOM 0 HB3 PHE A 129 112.039 10.265 -9.780 1.00 2.25 H new ATOM 0 HD1 PHE A 129 111.177 7.553 -8.940 1.00 1.89 H new ATOM 0 HD2 PHE A 129 115.123 9.201 -9.323 1.00 1.53 H new ATOM 0 HE1 PHE A 129 112.010 5.947 -7.248 1.00 2.06 H new ATOM 0 HE2 PHE A 129 115.956 7.595 -7.629 1.00 1.53 H new ATOM 0 HZ PHE A 129 114.401 5.968 -6.592 1.00 1.68 H new ATOM 2098 N ASN A 130 110.999 10.925 -12.030 1.00 3.51 N ATOM 2099 CA ASN A 130 110.570 11.895 -13.076 1.00 4.35 C ATOM 2100 C ASN A 130 111.368 13.198 -12.948 1.00 4.87 C ATOM 2101 O ASN A 130 110.791 14.252 -12.771 1.00 5.30 O ATOM 2102 CB ASN A 130 109.080 12.196 -12.906 1.00 5.05 C ATOM 2103 CG ASN A 130 108.382 12.116 -14.265 1.00 5.54 C ATOM 2104 OD1 ASN A 130 108.361 11.074 -14.889 1.00 5.86 O ATOM 2105 ND2 ASN A 130 107.805 13.180 -14.752 1.00 6.00 N ATOM 0 H ASN A 130 111.083 11.307 -11.088 1.00 3.51 H new ATOM 0 HA ASN A 130 110.752 11.461 -14.059 1.00 4.35 H new ATOM 0 HB2 ASN A 130 108.632 11.484 -12.213 1.00 5.05 H new ATOM 0 HB3 ASN A 130 108.946 13.188 -12.475 1.00 5.05 H new ATOM 0 HD21 ASN A 130 107.336 13.137 -15.657 1.00 6.00 H new ATOM 0 HD22 ASN A 130 107.823 14.055 -14.228 1.00 6.00 H new ATOM 2112 N PRO A 131 112.671 13.088 -13.050 1.00 5.23 N ATOM 2113 CA PRO A 131 113.574 14.250 -12.961 1.00 6.09 C ATOM 2114 C PRO A 131 113.632 14.982 -14.307 1.00 6.67 C ATOM 2115 O PRO A 131 114.685 15.126 -14.896 1.00 6.77 O ATOM 2116 CB PRO A 131 114.932 13.623 -12.640 1.00 6.57 C ATOM 2117 CG PRO A 131 114.861 12.157 -13.131 1.00 6.19 C ATOM 2118 CD PRO A 131 113.367 11.800 -13.249 1.00 5.27 C ATOM 0 HA PRO A 131 113.256 14.983 -12.220 1.00 6.09 H new ATOM 0 HB2 PRO A 131 115.737 14.162 -13.140 1.00 6.57 H new ATOM 0 HB3 PRO A 131 115.137 13.665 -11.570 1.00 6.57 H new ATOM 0 HG2 PRO A 131 115.362 12.047 -14.093 1.00 6.19 H new ATOM 0 HG3 PRO A 131 115.364 11.490 -12.431 1.00 6.19 H new ATOM 0 HD2 PRO A 131 113.136 11.369 -14.223 1.00 5.27 H new ATOM 0 HD3 PRO A 131 113.072 11.067 -12.498 1.00 5.27 H new ATOM 2126 N GLU A 132 112.515 15.440 -14.802 1.00 7.34 N ATOM 2127 CA GLU A 132 112.520 16.156 -16.109 1.00 8.14 C ATOM 2128 C GLU A 132 113.222 17.505 -15.947 1.00 8.68 C ATOM 2129 O GLU A 132 112.592 18.519 -15.720 1.00 8.78 O ATOM 2130 CB GLU A 132 111.080 16.381 -16.573 1.00 8.66 C ATOM 2131 CG GLU A 132 110.308 15.061 -16.504 1.00 8.88 C ATOM 2132 CD GLU A 132 110.908 14.065 -17.499 1.00 9.55 C ATOM 2133 OE1 GLU A 132 111.949 13.508 -17.194 1.00 9.87 O ATOM 2134 OE2 GLU A 132 110.315 13.877 -18.548 1.00 9.94 O ATOM 0 H GLU A 132 111.601 15.350 -14.359 1.00 7.34 H new ATOM 0 HA GLU A 132 113.050 15.558 -16.850 1.00 8.14 H new ATOM 0 HB2 GLU A 132 110.597 17.130 -15.945 1.00 8.66 H new ATOM 0 HB3 GLU A 132 111.071 16.766 -17.593 1.00 8.66 H new ATOM 0 HG2 GLU A 132 110.353 14.654 -15.494 1.00 8.88 H new ATOM 0 HG3 GLU A 132 109.256 15.231 -16.733 1.00 8.88 H new ATOM 2141 N SER A 133 114.523 17.526 -16.061 1.00 9.26 N ATOM 2142 CA SER A 133 115.266 18.808 -15.911 1.00 10.01 C ATOM 2143 C SER A 133 114.752 19.555 -14.677 1.00 10.60 C ATOM 2144 O SER A 133 115.211 19.338 -13.574 1.00 10.81 O ATOM 2145 CB SER A 133 115.055 19.668 -17.158 1.00 10.43 C ATOM 2146 OG SER A 133 113.887 19.230 -17.839 1.00 10.75 O ATOM 0 H SER A 133 115.103 16.709 -16.252 1.00 9.26 H new ATOM 0 HA SER A 133 116.329 18.601 -15.790 1.00 10.01 H new ATOM 0 HB2 SER A 133 114.955 20.717 -16.878 1.00 10.43 H new ATOM 0 HB3 SER A 133 115.922 19.595 -17.815 1.00 10.43 H new ATOM 0 HG SER A 133 113.748 19.781 -18.638 1.00 10.75 H new ATOM 2152 N SER A 134 113.800 20.431 -14.852 1.00 11.07 N ATOM 2153 CA SER A 134 113.260 21.186 -13.686 1.00 11.87 C ATOM 2154 C SER A 134 112.239 20.318 -12.947 1.00 12.45 C ATOM 2155 O SER A 134 111.783 19.349 -13.531 1.00 12.60 O ATOM 2156 CB SER A 134 112.581 22.465 -14.177 1.00 12.11 C ATOM 2157 OG SER A 134 112.277 22.335 -15.559 1.00 12.29 O ATOM 2158 OXT SER A 134 111.930 20.638 -11.811 1.00 12.90 O ATOM 0 H SER A 134 113.374 20.656 -15.751 1.00 11.07 H new ATOM 0 HA SER A 134 114.075 21.444 -13.010 1.00 11.87 H new ATOM 0 HB2 SER A 134 111.669 22.648 -13.608 1.00 12.11 H new ATOM 0 HB3 SER A 134 113.235 23.322 -14.016 1.00 12.11 H new ATOM 0 HG SER A 134 111.840 23.153 -15.876 1.00 12.29 H new TER 2164 SER A 134 END