USER MOD reduce.3.24.130724 H: found=0, std=0, add=1467, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1464 hydrogens (0 hets) HEADER OXIDOREDUCTASE 15-JAN-98 1A23 TITLE SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA TITLE 2 COLI, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DSBA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 STRAIN: THZ2; SOURCE 5 CELLULAR_LOCATION: PERIPLASM; SOURCE 6 GENE: DSBA; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: THZ2; SOURCE 0 EXPRESSION_SYSTEM_CELLULAR_LOCATION: PERIPLASM; SOURCE 1 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 2 EXPRESSION_SYSTEM_PLASMID: PDSBA2; SOURCE 3 EXPRESSION_SYSTEM_GENE: DSBA KEYWDS THIOL-DISULFIDE OXIDOREDUCTASE, INTRODUCTION OF DISULFIDE KEYWDS 2 BONDS, PROTEIN FOLDING, REDOX-ACTIVE CENTER EXPDTA SOLUTION NMR AUTHOR H.J.SCHIRRA,C.RENNER,M.CZISCH,M.HUBER-WUNDERLICH,T.A.HOLAK, AUTHOR 2 R.GLOCKSHUBER REVDAT 2 24-FEB-09 1A23 1 VERSN REVDAT 1 16-SEP-98 1A23 0 JRNL AUTH H.J.SCHIRRA,C.RENNER,M.CZISCH,M.HUBER-WUNDERLICH, JRNL AUTH 2 T.A.HOLAK,R.GLOCKSHUBER JRNL TITL STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI IN JRNL TITL 2 SOLUTION. JRNL REF BIOCHEMISTRY V. 37 6263 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9572841 JRNL DOI 10.1021/BI980136Y REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A23 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) : 300 REMARK 210 PH : 3.7 REMARK 210 IONIC STRENGTH : 20MM REMARK 210 PRESSURE : 1013HPA ATM REMARK 210 SAMPLE CONTENTS : 20 MM SODIUM PHOSPHATE IN H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N-NOESY-HSQC, 13C-NOESY- REMARK 210 HSQC, 15N-HSQC, 13C-HSQC, REMARK 210 HNCA, HNCO, CBCA(CO)NH, HN(CA) REMARK 210 CO, HNHA, HBHA(CBCACO)NH, REMARK 210 TOCSY, HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : AMX600, DRX600, DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CCNMR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ENERGY MINIMIZED MEAN REMARK 210 STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED WITH TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY AND MULTIDIMENSIONAL NMR EXPERIMENTS ON 13C/15N REMARK 210 LABELED DSBA REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 TYR A 3 105.44 80.48 REMARK 500 ASP A 5 90.93 52.90 REMARK 500 ALA A 19 158.61 -45.36 REMARK 500 VAL A 22 80.38 -153.21 REMARK 500 PHE A 28 53.07 -91.66 REMARK 500 PHE A 29 7.25 -150.97 REMARK 500 CYS A 33 -63.62 -29.57 REMARK 500 GLU A 38 -40.82 -132.58 REMARK 500 VAL A 39 -70.00 -106.63 REMARK 500 HIS A 41 18.84 59.11 REMARK 500 PHE A 63 57.24 -140.73 REMARK 500 MET A 64 54.61 -151.50 REMARK 500 ASP A 67 -80.22 -87.49 REMARK 500 LYS A 98 47.41 -152.48 REMARK 500 THR A 99 -48.60 -179.33 REMARK 500 ARG A 103 25.78 -141.98 REMARK 500 GLN A 146 -43.65 86.40 REMARK 500 LEU A 147 137.95 65.35 REMARK 500 ARG A 148 26.15 -159.59 REMARK 500 LYS A 158 -32.69 -159.19 REMARK 500 THR A 168 -87.54 -95.14 REMARK 500 SER A 169 26.52 -163.47 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 103 0.30 SIDE_CHAIN REMARK 500 ARG A 109 0.14 SIDE_CHAIN REMARK 500 ARG A 148 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1A24 RELATED DB: PDB DBREF 1A23 A 1 189 UNP P24991 DSBA_ECOLI 20 208 SEQRES 1 A 189 ALA GLN TYR GLU ASP GLY LYS GLN TYR THR THR LEU GLU SEQRES 2 A 189 LYS PRO VAL ALA GLY ALA PRO GLN VAL LEU GLU PHE PHE SEQRES 3 A 189 SER PHE PHE CYS PRO HIS CYS TYR GLN PHE GLU GLU VAL SEQRES 4 A 189 LEU HIS ILE SER ASP ASN VAL LYS LYS LYS LEU PRO GLU SEQRES 5 A 189 GLY VAL LYS MET THR LYS TYR HIS VAL ASN PHE MET GLY SEQRES 6 A 189 GLY ASP LEU GLY LYS ASP LEU THR GLN ALA TRP ALA VAL SEQRES 7 A 189 ALA MET ALA LEU GLY VAL GLU ASP LYS VAL THR VAL PRO SEQRES 8 A 189 LEU PHE GLU GLY VAL GLN LYS THR GLN THR ILE ARG SER SEQRES 9 A 189 ALA SER ASP ILE ARG ASP VAL PHE ILE ASN ALA GLY ILE SEQRES 10 A 189 LYS GLY GLU GLU TYR ASP ALA ALA TRP ASN SER PHE VAL SEQRES 11 A 189 VAL LYS SER LEU VAL ALA GLN GLN GLU LYS ALA ALA ALA SEQRES 12 A 189 ASP VAL GLN LEU ARG GLY VAL PRO ALA MET PHE VAL ASN SEQRES 13 A 189 GLY LYS TYR GLN LEU ASN PRO GLN GLY MET ASP THR SER SEQRES 14 A 189 ASN MET ASP VAL PHE VAL GLN GLN TYR ALA ASP THR VAL SEQRES 15 A 189 LYS TYR LEU SER GLU LYS LYS HELIX 1 1 PRO A 31 GLU A 37 1 7 HELIX 2 1' ILE A 42 LYS A 48 1 7 HELIX 3 2 LEU A 68 LEU A 82 1 15 HELIX 4 3 GLU A 85 GLN A 97 1 13 HELIX 5 4 ALA A 105 ALA A 115 1 11 HELIX 6 5 GLY A 119 ASN A 127 1 9 HELIX 7 6 VAL A 130 ASP A 144 1 15 HELIX 8 7 MET A 171 GLU A 187 1 17 SHEET 1 A 5 TYR A 9 THR A 11 0 SHEET 2 A 5 TYR A 159 LEU A 161 -1 N GLN A 160 O THR A 10 SHEET 3 A 5 ALA A 152 VAL A 155 -1 N VAL A 155 O TYR A 159 SHEET 4 A 5 VAL A 22 PHE A 25 -1 N LEU A 23 O PHE A 154 SHEET 5 A 5 MET A 56 TYR A 59 1 N THR A 57 O VAL A 22 CISPEP 1 VAL A 150 PRO A 151 0 -0.68 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 153 MET CE :methyl -134:sc= -2.87! (180deg=-6.31!) USER MOD Set 1.2: A 178 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.89 X(o=-3,f=-3.1!) USER MOD Set 2.2: A 177 GLN : amide:sc= -1.12 K(o=-3,f=-2) USER MOD Set 3.1: A 104 SER OG : rot 120:sc= -0.579 USER MOD Set 3.2: A 106 SER OG : rot 180:sc= 0.399 USER MOD Set 4.1: A 62 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.3!) USER MOD Set 4.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 60 HIS : no HE2:sc= -8.02! C(o=-7.3!,f=-24!) USER MOD Set 5.2: A 73 THR OG1 : rot 83:sc= 0.743 USER MOD Set 6.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 184 TYR OH : rot 180:sc= 0 USER MOD Set 6.3: A 188 LYS NZ :NH3+ -168:sc= 0.00522 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.02) USER MOD Single : A 3 TYR OH : rot 177:sc= -0.288 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.8!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 33 CYS SG : rot 110:sc= -1.24 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.59) USER MOD Single : A 43 SER OG : rot 72:sc= 0.0816 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.043 (180deg=-0.393) USER MOD Single : A 56 MET CE :methyl -166:sc= -0.071 (180deg=-0.302) USER MOD Single : A 57 THR OG1 : rot -126:sc= -2.03 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 MET CE :methyl -165:sc= 0 (180deg=-0.0809) USER MOD Single : A 74 GLN : amide:sc= -2.2! K(o=-2.2!,f=-1.2) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -80:sc= 0.951 USER MOD Single : A 97 GLN : amide:sc= -3.94! C(o=-3.9!,f=-7.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot -31:sc= 0.0622 USER MOD Single : A 114 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.54) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= -0.0509 USER MOD Single : A 127 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.049) USER MOD Single : A 128 SER OG : rot 64:sc= 0.913 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 GLN : amide:sc= -4.36! C(o=-4.4!,f=-9.2!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= -0.185 K(o=-0.19,f=-0.95) USER MOD Single : A 156 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.1!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= -3.33 K(o=-3.3,f=-11!) USER MOD Single : A 162 ASN : amide:sc= -0.523 K(o=-0.52,f=-3.2!) USER MOD Single : A 164 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.85) USER MOD Single : A 166 MET CE :methyl -145:sc= -0.6 (180deg=-1.32) USER MOD Single : A 168 THR OG1 : rot 116:sc= 0.503! USER MOD Single : A 169 SER OG : rot 46:sc= 0.273 USER MOD Single : A 170 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.3!) USER MOD Single : A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 181 THR OG1 : rot -46:sc= 0.187 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 SER OG : rot -68:sc= 1.18 USER MOD Single : A 189 LYS NZ :NH3+ 162:sc= -0.0583 (180deg=-0.555) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 123.065 15.249 -0.916 1.00 3.44 N ATOM 2 CA ALA A 1 124.381 15.536 -0.276 1.00 3.00 C ATOM 3 C ALA A 1 125.443 14.641 -0.860 1.00 2.04 C ATOM 4 O ALA A 1 125.312 13.427 -0.926 1.00 2.29 O ATOM 5 CB ALA A 1 124.306 15.358 1.245 1.00 3.68 C ATOM 0 H1 ALA A 1 122.338 15.870 -0.508 1.00 3.44 H new ATOM 0 H2 ALA A 1 123.132 15.420 -1.940 1.00 3.44 H new ATOM 0 H3 ALA A 1 122.806 14.256 -0.747 1.00 3.44 H new ATOM 0 HA ALA A 1 124.642 16.575 -0.478 1.00 3.00 H new ATOM 0 HB1 ALA A 1 125.280 15.574 1.685 1.00 3.68 H new ATOM 0 HB2 ALA A 1 123.563 16.042 1.655 1.00 3.68 H new ATOM 0 HB3 ALA A 1 124.022 14.332 1.478 1.00 3.68 H new ATOM 13 N GLN A 2 126.516 15.267 -1.247 1.00 1.76 N ATOM 14 CA GLN A 2 127.662 14.564 -1.813 1.00 1.67 C ATOM 15 C GLN A 2 128.843 14.947 -0.940 1.00 1.61 C ATOM 16 O GLN A 2 129.491 15.954 -1.138 1.00 2.44 O ATOM 17 CB GLN A 2 127.870 14.962 -3.277 1.00 2.79 C ATOM 18 CG GLN A 2 127.406 13.800 -4.167 1.00 3.21 C ATOM 19 CD GLN A 2 127.126 14.297 -5.584 1.00 3.95 C ATOM 20 OE1 GLN A 2 127.604 13.728 -6.543 1.00 4.16 O ATOM 21 NE2 GLN A 2 126.359 15.336 -5.753 1.00 4.74 N ATOM 0 H GLN A 2 126.635 16.278 -1.185 1.00 1.76 H new ATOM 0 HA GLN A 2 127.522 13.483 -1.821 1.00 1.67 H new ATOM 0 HB2 GLN A 2 127.305 15.865 -3.508 1.00 2.79 H new ATOM 0 HB3 GLN A 2 128.920 15.186 -3.463 1.00 2.79 H new ATOM 0 HG2 GLN A 2 128.171 13.024 -4.191 1.00 3.21 H new ATOM 0 HG3 GLN A 2 126.507 13.349 -3.748 1.00 3.21 H new ATOM 0 HE21 GLN A 2 125.959 15.812 -4.944 1.00 4.74 H new ATOM 0 HE22 GLN A 2 126.158 15.674 -6.694 1.00 4.74 H new ATOM 30 N TYR A 3 129.027 14.149 0.074 1.00 0.94 N ATOM 31 CA TYR A 3 130.091 14.323 1.126 1.00 0.85 C ATOM 32 C TYR A 3 129.623 15.360 2.143 1.00 0.90 C ATOM 33 O TYR A 3 129.626 16.547 1.860 1.00 1.04 O ATOM 34 CB TYR A 3 131.493 14.753 0.592 1.00 0.98 C ATOM 35 CG TYR A 3 131.679 14.532 -0.894 1.00 0.95 C ATOM 36 CD1 TYR A 3 131.421 13.291 -1.478 1.00 1.66 C ATOM 37 CD2 TYR A 3 132.095 15.606 -1.688 1.00 1.45 C ATOM 38 CE1 TYR A 3 131.584 13.125 -2.861 1.00 1.97 C ATOM 39 CE2 TYR A 3 132.254 15.443 -3.067 1.00 1.71 C ATOM 40 CZ TYR A 3 131.998 14.200 -3.656 1.00 1.68 C ATOM 41 OH TYR A 3 132.148 14.038 -5.019 1.00 2.18 O ATOM 0 H TYR A 3 128.446 13.326 0.231 1.00 0.94 H new ATOM 0 HA TYR A 3 130.226 13.335 1.566 1.00 0.85 H new ATOM 0 HB2 TYR A 3 131.647 15.809 0.814 1.00 0.98 H new ATOM 0 HB3 TYR A 3 132.262 14.199 1.131 1.00 0.98 H new ATOM 0 HD1 TYR A 3 131.097 12.461 -0.867 1.00 1.66 H new ATOM 0 HD2 TYR A 3 132.294 16.565 -1.233 1.00 1.45 H new ATOM 0 HE1 TYR A 3 131.389 12.164 -3.314 1.00 1.97 H new ATOM 0 HE2 TYR A 3 132.574 16.275 -3.677 1.00 1.71 H new ATOM 0 HH TYR A 3 132.394 14.895 -5.425 1.00 2.18 H new ATOM 51 N GLU A 4 129.226 14.923 3.326 1.00 0.92 N ATOM 52 CA GLU A 4 128.763 15.890 4.378 1.00 1.10 C ATOM 53 C GLU A 4 129.557 15.673 5.676 1.00 1.03 C ATOM 54 O GLU A 4 129.004 15.561 6.763 1.00 1.13 O ATOM 55 CB GLU A 4 127.258 15.722 4.631 1.00 1.33 C ATOM 56 CG GLU A 4 126.464 16.489 3.573 1.00 1.96 C ATOM 57 CD GLU A 4 125.014 16.612 4.036 1.00 2.34 C ATOM 58 OE1 GLU A 4 124.317 15.612 3.995 1.00 2.95 O ATOM 59 OE2 GLU A 4 124.628 17.700 4.425 1.00 2.65 O ATOM 0 H GLU A 4 129.204 13.942 3.603 1.00 0.92 H new ATOM 0 HA GLU A 4 128.940 16.907 4.027 1.00 1.10 H new ATOM 0 HB2 GLU A 4 126.991 14.665 4.603 1.00 1.33 H new ATOM 0 HB3 GLU A 4 127.004 16.089 5.626 1.00 1.33 H new ATOM 0 HG2 GLU A 4 126.896 17.478 3.421 1.00 1.96 H new ATOM 0 HG3 GLU A 4 126.511 15.970 2.616 1.00 1.96 H new ATOM 66 N ASP A 5 130.861 15.638 5.552 1.00 0.99 N ATOM 67 CA ASP A 5 131.761 15.457 6.736 1.00 1.08 C ATOM 68 C ASP A 5 131.341 14.214 7.537 1.00 1.06 C ATOM 69 O ASP A 5 130.512 14.296 8.435 1.00 1.29 O ATOM 70 CB ASP A 5 131.691 16.715 7.628 1.00 1.37 C ATOM 71 CG ASP A 5 133.103 17.245 7.914 1.00 1.81 C ATOM 72 OD1 ASP A 5 133.928 17.221 7.011 1.00 2.54 O ATOM 73 OD2 ASP A 5 133.333 17.673 9.033 1.00 2.25 O ATOM 0 H ASP A 5 131.350 15.729 4.662 1.00 0.99 H new ATOM 0 HA ASP A 5 132.786 15.315 6.392 1.00 1.08 H new ATOM 0 HB2 ASP A 5 131.099 17.486 7.135 1.00 1.37 H new ATOM 0 HB3 ASP A 5 131.188 16.477 8.565 1.00 1.37 H new ATOM 78 N GLY A 6 131.910 13.071 7.215 1.00 0.89 N ATOM 79 CA GLY A 6 131.564 11.809 7.950 1.00 1.01 C ATOM 80 C GLY A 6 130.826 10.833 7.029 1.00 1.00 C ATOM 81 O GLY A 6 130.777 9.644 7.309 1.00 1.20 O ATOM 0 H GLY A 6 132.601 12.959 6.473 1.00 0.89 H new ATOM 0 HA2 GLY A 6 132.473 11.342 8.330 1.00 1.01 H new ATOM 0 HA3 GLY A 6 130.942 12.044 8.813 1.00 1.01 H new ATOM 85 N LYS A 7 130.267 11.317 5.934 1.00 0.89 N ATOM 86 CA LYS A 7 129.542 10.413 4.986 1.00 1.03 C ATOM 87 C LYS A 7 130.587 9.711 4.124 1.00 1.07 C ATOM 88 O LYS A 7 130.802 8.513 4.242 1.00 1.72 O ATOM 89 CB LYS A 7 128.568 11.232 4.110 1.00 1.04 C ATOM 90 CG LYS A 7 127.368 10.362 3.700 1.00 1.34 C ATOM 91 CD LYS A 7 126.077 10.942 4.282 1.00 2.03 C ATOM 92 CE LYS A 7 124.871 10.515 3.429 1.00 2.60 C ATOM 93 NZ LYS A 7 123.954 9.651 4.234 1.00 2.95 N ATOM 0 H LYS A 7 130.285 12.300 5.662 1.00 0.89 H new ATOM 0 HA LYS A 7 128.953 9.676 5.532 1.00 1.03 H new ATOM 0 HB2 LYS A 7 128.222 12.108 4.659 1.00 1.04 H new ATOM 0 HB3 LYS A 7 129.084 11.596 3.221 1.00 1.04 H new ATOM 0 HG2 LYS A 7 127.297 10.314 2.613 1.00 1.34 H new ATOM 0 HG3 LYS A 7 127.510 9.341 4.055 1.00 1.34 H new ATOM 0 HD2 LYS A 7 125.946 10.599 5.308 1.00 2.03 H new ATOM 0 HD3 LYS A 7 126.141 12.030 4.316 1.00 2.03 H new ATOM 0 HE2 LYS A 7 124.336 11.396 3.075 1.00 2.60 H new ATOM 0 HE3 LYS A 7 125.213 9.974 2.547 1.00 2.60 H new ATOM 0 HZ1 LYS A 7 123.142 9.367 3.649 1.00 2.95 H new ATOM 0 HZ2 LYS A 7 124.465 8.803 4.551 1.00 2.95 H new ATOM 0 HZ3 LYS A 7 123.616 10.181 5.062 1.00 2.95 H new ATOM 107 N GLN A 8 131.242 10.455 3.267 1.00 0.82 N ATOM 108 CA GLN A 8 132.295 9.865 2.381 1.00 0.84 C ATOM 109 C GLN A 8 133.693 10.147 2.933 1.00 0.74 C ATOM 110 O GLN A 8 134.637 9.446 2.595 1.00 0.83 O ATOM 111 CB GLN A 8 132.195 10.493 0.997 1.00 0.92 C ATOM 112 CG GLN A 8 130.758 10.385 0.470 1.00 1.71 C ATOM 113 CD GLN A 8 130.760 9.933 -1.003 1.00 2.51 C ATOM 114 OE1 GLN A 8 131.799 9.777 -1.624 1.00 2.93 O ATOM 115 NE2 GLN A 8 129.628 9.707 -1.596 1.00 3.41 N ATOM 0 H GLN A 8 131.091 11.456 3.142 1.00 0.82 H new ATOM 0 HA GLN A 8 132.137 8.788 2.333 1.00 0.84 H new ATOM 0 HB2 GLN A 8 132.496 11.540 1.042 1.00 0.92 H new ATOM 0 HB3 GLN A 8 132.880 9.993 0.312 1.00 0.92 H new ATOM 0 HG2 GLN A 8 130.194 9.674 1.075 1.00 1.71 H new ATOM 0 HG3 GLN A 8 130.257 11.349 0.561 1.00 1.71 H new ATOM 0 HE21 GLN A 8 128.752 9.833 -1.089 1.00 3.41 H new ATOM 0 HE22 GLN A 8 129.614 9.403 -2.569 1.00 3.41 H new ATOM 124 N TYR A 9 133.843 11.165 3.760 1.00 0.69 N ATOM 125 CA TYR A 9 135.183 11.488 4.298 1.00 0.65 C ATOM 126 C TYR A 9 135.051 12.219 5.621 1.00 0.64 C ATOM 127 O TYR A 9 134.475 13.292 5.709 1.00 0.68 O ATOM 128 CB TYR A 9 135.959 12.322 3.258 1.00 0.70 C ATOM 129 CG TYR A 9 135.470 13.760 3.223 1.00 0.73 C ATOM 130 CD1 TYR A 9 134.125 14.047 2.962 1.00 1.21 C ATOM 131 CD2 TYR A 9 136.369 14.800 3.461 1.00 1.46 C ATOM 132 CE1 TYR A 9 133.684 15.376 2.939 1.00 1.24 C ATOM 133 CE2 TYR A 9 135.928 16.128 3.439 1.00 1.53 C ATOM 134 CZ TYR A 9 134.586 16.415 3.178 1.00 0.89 C ATOM 135 OH TYR A 9 134.150 17.725 3.155 1.00 1.01 O ATOM 0 H TYR A 9 133.089 11.775 4.076 1.00 0.69 H new ATOM 0 HA TYR A 9 135.741 10.571 4.487 1.00 0.65 H new ATOM 0 HB2 TYR A 9 137.023 12.304 3.495 1.00 0.70 H new ATOM 0 HB3 TYR A 9 135.845 11.873 2.271 1.00 0.70 H new ATOM 0 HD1 TYR A 9 133.427 13.243 2.778 1.00 1.21 H new ATOM 0 HD2 TYR A 9 137.407 14.580 3.663 1.00 1.46 H new ATOM 0 HE1 TYR A 9 132.647 15.597 2.736 1.00 1.24 H new ATOM 0 HE2 TYR A 9 136.626 16.931 3.624 1.00 1.53 H new ATOM 0 HH TYR A 9 134.903 18.324 3.342 1.00 1.01 H new ATOM 145 N THR A 10 135.601 11.625 6.637 1.00 0.66 N ATOM 146 CA THR A 10 135.563 12.233 7.988 1.00 0.70 C ATOM 147 C THR A 10 136.914 12.882 8.255 1.00 0.71 C ATOM 148 O THR A 10 137.889 12.620 7.559 1.00 0.68 O ATOM 149 CB THR A 10 135.256 11.154 9.020 1.00 0.77 C ATOM 150 OG1 THR A 10 135.274 11.723 10.321 1.00 0.85 O ATOM 151 CG2 THR A 10 136.275 10.017 8.937 1.00 0.75 C ATOM 0 H THR A 10 136.084 10.728 6.586 1.00 0.66 H new ATOM 0 HA THR A 10 134.783 12.991 8.053 1.00 0.70 H new ATOM 0 HB THR A 10 134.267 10.744 8.813 1.00 0.77 H new ATOM 0 HG1 THR A 10 135.075 11.029 10.984 1.00 0.85 H new ATOM 0 HG21 THR A 10 136.036 9.259 9.683 1.00 0.75 H new ATOM 0 HG22 THR A 10 136.243 9.571 7.943 1.00 0.75 H new ATOM 0 HG23 THR A 10 137.274 10.409 9.126 1.00 0.75 H new ATOM 159 N THR A 11 136.963 13.742 9.234 1.00 0.78 N ATOM 160 CA THR A 11 138.235 14.459 9.554 1.00 0.82 C ATOM 161 C THR A 11 138.954 13.769 10.706 1.00 0.88 C ATOM 162 O THR A 11 138.334 13.270 11.630 1.00 0.97 O ATOM 163 CB THR A 11 137.928 15.913 9.915 1.00 0.91 C ATOM 164 OG1 THR A 11 137.045 16.460 8.946 1.00 1.04 O ATOM 165 CG2 THR A 11 139.227 16.719 9.932 1.00 0.99 C ATOM 0 H THR A 11 136.172 13.982 9.832 1.00 0.78 H new ATOM 0 HA THR A 11 138.886 14.439 8.680 1.00 0.82 H new ATOM 0 HB THR A 11 137.462 15.955 10.900 1.00 0.91 H new ATOM 0 HG1 THR A 11 136.845 17.392 9.175 1.00 1.04 H new ATOM 0 HG21 THR A 11 139.009 17.755 10.189 1.00 0.99 H new ATOM 0 HG22 THR A 11 139.907 16.297 10.672 1.00 0.99 H new ATOM 0 HG23 THR A 11 139.692 16.680 8.947 1.00 0.99 H new ATOM 173 N LEU A 12 140.266 13.739 10.632 1.00 0.93 N ATOM 174 CA LEU A 12 141.087 13.084 11.691 1.00 1.05 C ATOM 175 C LEU A 12 141.328 14.062 12.833 1.00 1.11 C ATOM 176 O LEU A 12 141.363 15.265 12.630 1.00 1.14 O ATOM 177 CB LEU A 12 142.456 12.689 11.129 1.00 1.16 C ATOM 178 CG LEU A 12 142.305 11.931 9.812 1.00 0.99 C ATOM 179 CD1 LEU A 12 143.470 12.291 8.887 1.00 1.33 C ATOM 180 CD2 LEU A 12 142.317 10.430 10.090 1.00 1.20 C ATOM 0 H LEU A 12 140.806 14.148 9.869 1.00 0.93 H new ATOM 0 HA LEU A 12 140.550 12.202 12.041 1.00 1.05 H new ATOM 0 HB2 LEU A 12 143.061 13.582 10.972 1.00 1.16 H new ATOM 0 HB3 LEU A 12 142.985 12.068 11.852 1.00 1.16 H new ATOM 0 HG LEU A 12 141.364 12.204 9.335 1.00 0.99 H new ATOM 0 HD11 LEU A 12 143.367 11.752 7.945 1.00 1.33 H new ATOM 0 HD12 LEU A 12 143.463 13.364 8.694 1.00 1.33 H new ATOM 0 HD13 LEU A 12 144.411 12.014 9.362 1.00 1.33 H new ATOM 0 HD21 LEU A 12 142.209 9.885 9.152 1.00 1.20 H new ATOM 0 HD22 LEU A 12 143.260 10.155 10.563 1.00 1.20 H new ATOM 0 HD23 LEU A 12 141.490 10.176 10.754 1.00 1.20 H new ATOM 192 N GLU A 13 141.544 13.540 14.017 1.00 1.27 N ATOM 193 CA GLU A 13 141.848 14.404 15.197 1.00 1.43 C ATOM 194 C GLU A 13 143.348 14.740 15.182 1.00 1.38 C ATOM 195 O GLU A 13 143.780 15.694 15.809 1.00 1.51 O ATOM 196 CB GLU A 13 141.516 13.648 16.487 1.00 1.68 C ATOM 197 CG GLU A 13 140.063 13.155 16.441 1.00 2.23 C ATOM 198 CD GLU A 13 139.721 12.306 17.683 1.00 2.65 C ATOM 199 OE1 GLU A 13 140.449 12.369 18.665 1.00 2.88 O ATOM 200 OE2 GLU A 13 138.723 11.604 17.628 1.00 3.32 O ATOM 0 H GLU A 13 141.522 12.540 14.216 1.00 1.27 H new ATOM 0 HA GLU A 13 141.254 15.317 15.152 1.00 1.43 H new ATOM 0 HB2 GLU A 13 142.193 12.802 16.608 1.00 1.68 H new ATOM 0 HB3 GLU A 13 141.662 14.299 17.349 1.00 1.68 H new ATOM 0 HG2 GLU A 13 139.388 14.009 16.384 1.00 2.23 H new ATOM 0 HG3 GLU A 13 139.905 12.564 15.539 1.00 2.23 H new ATOM 207 N LYS A 14 144.140 13.946 14.475 1.00 1.27 N ATOM 208 CA LYS A 14 145.615 14.181 14.409 1.00 1.27 C ATOM 209 C LYS A 14 146.057 14.279 12.938 1.00 1.14 C ATOM 210 O LYS A 14 146.212 13.257 12.283 1.00 1.12 O ATOM 211 CB LYS A 14 146.362 13.013 15.062 1.00 1.39 C ATOM 212 CG LYS A 14 145.654 12.589 16.348 1.00 1.65 C ATOM 213 CD LYS A 14 146.557 11.639 17.130 1.00 2.02 C ATOM 214 CE LYS A 14 146.245 11.739 18.623 1.00 2.54 C ATOM 215 NZ LYS A 14 147.345 11.101 19.398 1.00 2.92 N ATOM 0 H LYS A 14 143.814 13.141 13.940 1.00 1.27 H new ATOM 0 HA LYS A 14 145.845 15.108 14.935 1.00 1.27 H new ATOM 0 HB2 LYS A 14 146.412 12.172 14.371 1.00 1.39 H new ATOM 0 HB3 LYS A 14 147.389 13.306 15.283 1.00 1.39 H new ATOM 0 HG2 LYS A 14 145.418 13.465 16.952 1.00 1.65 H new ATOM 0 HG3 LYS A 14 144.709 12.100 16.112 1.00 1.65 H new ATOM 0 HD2 LYS A 14 146.408 10.616 16.786 1.00 2.02 H new ATOM 0 HD3 LYS A 14 147.603 11.887 16.950 1.00 2.02 H new ATOM 0 HE2 LYS A 14 146.137 12.784 18.915 1.00 2.54 H new ATOM 0 HE3 LYS A 14 145.297 11.247 18.842 1.00 2.54 H new ATOM 0 HZ1 LYS A 14 147.137 11.167 20.415 1.00 2.92 H new ATOM 0 HZ2 LYS A 14 147.427 10.101 19.125 1.00 2.92 H new ATOM 0 HZ3 LYS A 14 148.241 11.589 19.196 1.00 2.92 H new ATOM 229 N PRO A 15 146.261 15.492 12.448 1.00 1.12 N ATOM 230 CA PRO A 15 146.705 15.700 11.064 1.00 1.06 C ATOM 231 C PRO A 15 148.213 15.455 10.980 1.00 1.03 C ATOM 232 O PRO A 15 148.910 15.526 11.982 1.00 1.05 O ATOM 233 CB PRO A 15 146.362 17.161 10.788 1.00 1.14 C ATOM 234 CG PRO A 15 146.286 17.862 12.160 1.00 1.24 C ATOM 235 CD PRO A 15 146.065 16.757 13.204 1.00 1.23 C ATOM 0 HA PRO A 15 146.237 15.031 10.342 1.00 1.06 H new ATOM 0 HB2 PRO A 15 147.121 17.625 10.157 1.00 1.14 H new ATOM 0 HB3 PRO A 15 145.413 17.243 10.258 1.00 1.14 H new ATOM 0 HG2 PRO A 15 147.204 18.412 12.366 1.00 1.24 H new ATOM 0 HG3 PRO A 15 145.470 18.585 12.182 1.00 1.24 H new ATOM 0 HD2 PRO A 15 146.773 16.841 14.028 1.00 1.23 H new ATOM 0 HD3 PRO A 15 145.066 16.812 13.635 1.00 1.23 H new ATOM 243 N VAL A 16 148.713 15.157 9.802 1.00 1.04 N ATOM 244 CA VAL A 16 150.175 14.891 9.641 1.00 1.06 C ATOM 245 C VAL A 16 150.779 15.897 8.662 1.00 1.09 C ATOM 246 O VAL A 16 150.612 15.789 7.458 1.00 1.01 O ATOM 247 CB VAL A 16 150.367 13.432 9.174 1.00 1.06 C ATOM 248 CG1 VAL A 16 151.791 13.196 8.632 1.00 1.22 C ATOM 249 CG2 VAL A 16 150.130 12.512 10.374 1.00 1.50 C ATOM 0 H VAL A 16 148.167 15.087 8.944 1.00 1.04 H new ATOM 0 HA VAL A 16 150.696 15.015 10.590 1.00 1.06 H new ATOM 0 HB VAL A 16 149.662 13.223 8.370 1.00 1.06 H new ATOM 0 HG11 VAL A 16 151.891 12.159 8.312 1.00 1.22 H new ATOM 0 HG12 VAL A 16 151.972 13.856 7.784 1.00 1.22 H new ATOM 0 HG13 VAL A 16 152.518 13.406 9.416 1.00 1.22 H new ATOM 0 HG21 VAL A 16 150.260 11.474 10.068 1.00 1.50 H new ATOM 0 HG22 VAL A 16 150.844 12.750 11.162 1.00 1.50 H new ATOM 0 HG23 VAL A 16 149.116 12.656 10.748 1.00 1.50 H new ATOM 259 N ALA A 17 151.508 16.861 9.195 1.00 1.24 N ATOM 260 CA ALA A 17 152.177 17.889 8.344 1.00 1.31 C ATOM 261 C ALA A 17 153.141 17.168 7.407 1.00 1.20 C ATOM 262 O ALA A 17 153.952 16.367 7.845 1.00 1.21 O ATOM 263 CB ALA A 17 152.950 18.870 9.231 1.00 1.54 C ATOM 0 H ALA A 17 151.664 16.973 10.197 1.00 1.24 H new ATOM 0 HA ALA A 17 151.438 18.448 7.770 1.00 1.31 H new ATOM 0 HB1 ALA A 17 153.437 19.619 8.607 1.00 1.54 H new ATOM 0 HB2 ALA A 17 152.260 19.362 9.916 1.00 1.54 H new ATOM 0 HB3 ALA A 17 153.704 18.328 9.802 1.00 1.54 H new ATOM 269 N GLY A 18 153.030 17.426 6.129 1.00 1.15 N ATOM 270 CA GLY A 18 153.906 16.741 5.132 1.00 1.09 C ATOM 271 C GLY A 18 153.187 15.492 4.594 1.00 0.88 C ATOM 272 O GLY A 18 153.597 14.933 3.591 1.00 0.83 O ATOM 0 H GLY A 18 152.364 18.088 5.731 1.00 1.15 H new ATOM 0 HA2 GLY A 18 154.143 17.419 4.312 1.00 1.09 H new ATOM 0 HA3 GLY A 18 154.851 16.459 5.595 1.00 1.09 H new ATOM 276 N ALA A 19 152.121 15.050 5.260 1.00 0.84 N ATOM 277 CA ALA A 19 151.358 13.833 4.805 1.00 0.71 C ATOM 278 C ALA A 19 151.108 13.873 3.286 1.00 0.62 C ATOM 279 O ALA A 19 151.145 14.938 2.695 1.00 0.68 O ATOM 280 CB ALA A 19 150.004 13.797 5.507 1.00 0.78 C ATOM 0 H ALA A 19 151.752 15.489 6.103 1.00 0.84 H new ATOM 0 HA ALA A 19 151.950 12.951 5.049 1.00 0.71 H new ATOM 0 HB1 ALA A 19 149.448 12.918 5.181 1.00 0.78 H new ATOM 0 HB2 ALA A 19 150.154 13.752 6.586 1.00 0.78 H new ATOM 0 HB3 ALA A 19 149.440 14.696 5.257 1.00 0.78 H new ATOM 286 N PRO A 20 150.854 12.711 2.695 1.00 0.62 N ATOM 287 CA PRO A 20 150.587 12.605 1.253 1.00 0.67 C ATOM 288 C PRO A 20 149.146 13.018 0.941 1.00 0.63 C ATOM 289 O PRO A 20 148.222 12.699 1.670 1.00 0.86 O ATOM 290 CB PRO A 20 150.821 11.129 0.939 1.00 0.84 C ATOM 291 CG PRO A 20 150.650 10.373 2.267 1.00 0.88 C ATOM 292 CD PRO A 20 150.811 11.405 3.398 1.00 0.75 C ATOM 0 HA PRO A 20 151.222 13.259 0.655 1.00 0.67 H new ATOM 0 HB2 PRO A 20 150.110 10.772 0.194 1.00 0.84 H new ATOM 0 HB3 PRO A 20 151.818 10.972 0.528 1.00 0.84 H new ATOM 0 HG2 PRO A 20 149.671 9.897 2.316 1.00 0.88 H new ATOM 0 HG3 PRO A 20 151.394 9.582 2.359 1.00 0.88 H new ATOM 0 HD2 PRO A 20 149.979 11.358 4.101 1.00 0.75 H new ATOM 0 HD3 PRO A 20 151.722 11.230 3.970 1.00 0.75 H new ATOM 300 N GLN A 21 148.972 13.727 -0.148 1.00 0.57 N ATOM 301 CA GLN A 21 147.630 14.208 -0.592 1.00 0.57 C ATOM 302 C GLN A 21 146.632 13.044 -0.671 1.00 0.51 C ATOM 303 O GLN A 21 145.434 13.266 -0.661 1.00 0.55 O ATOM 304 CB GLN A 21 147.775 14.855 -1.970 1.00 0.68 C ATOM 305 CG GLN A 21 148.665 16.108 -1.869 1.00 0.68 C ATOM 306 CD GLN A 21 147.917 17.348 -2.390 1.00 1.44 C ATOM 307 OE1 GLN A 21 146.983 17.243 -3.167 1.00 2.28 O ATOM 308 NE2 GLN A 21 148.300 18.532 -1.997 1.00 1.98 N ATOM 0 H GLN A 21 149.735 14.000 -0.768 1.00 0.57 H new ATOM 0 HA GLN A 21 147.252 14.932 0.130 1.00 0.57 H new ATOM 0 HB2 GLN A 21 148.211 14.144 -2.671 1.00 0.68 H new ATOM 0 HB3 GLN A 21 146.794 15.126 -2.360 1.00 0.68 H new ATOM 0 HG2 GLN A 21 148.964 16.266 -0.833 1.00 0.68 H new ATOM 0 HG3 GLN A 21 149.578 15.959 -2.445 1.00 0.68 H new ATOM 0 HE21 GLN A 21 149.081 18.626 -1.347 1.00 1.98 H new ATOM 0 HE22 GLN A 21 147.819 19.364 -2.340 1.00 1.98 H new ATOM 317 N VAL A 22 147.115 11.816 -0.756 1.00 0.46 N ATOM 318 CA VAL A 22 146.203 10.635 -0.831 1.00 0.44 C ATOM 319 C VAL A 22 146.949 9.419 -0.256 1.00 0.40 C ATOM 320 O VAL A 22 147.481 8.597 -0.987 1.00 0.41 O ATOM 321 CB VAL A 22 145.784 10.420 -2.303 1.00 0.47 C ATOM 322 CG1 VAL A 22 145.044 9.081 -2.490 1.00 0.53 C ATOM 323 CG2 VAL A 22 144.859 11.566 -2.724 1.00 0.54 C ATOM 0 H VAL A 22 148.109 11.589 -0.776 1.00 0.46 H new ATOM 0 HA VAL A 22 145.294 10.788 -0.249 1.00 0.44 H new ATOM 0 HB VAL A 22 146.683 10.400 -2.918 1.00 0.47 H new ATOM 0 HG11 VAL A 22 144.764 8.963 -3.537 1.00 0.53 H new ATOM 0 HG12 VAL A 22 145.697 8.260 -2.194 1.00 0.53 H new ATOM 0 HG13 VAL A 22 144.147 9.072 -1.871 1.00 0.53 H new ATOM 0 HG21 VAL A 22 144.556 11.426 -3.762 1.00 0.54 H new ATOM 0 HG22 VAL A 22 143.976 11.574 -2.086 1.00 0.54 H new ATOM 0 HG23 VAL A 22 145.387 12.515 -2.625 1.00 0.54 H new ATOM 333 N LEU A 23 146.981 9.318 1.060 1.00 0.41 N ATOM 334 CA LEU A 23 147.674 8.180 1.730 1.00 0.42 C ATOM 335 C LEU A 23 146.764 6.964 1.595 1.00 0.44 C ATOM 336 O LEU A 23 145.690 6.946 2.154 1.00 0.51 O ATOM 337 CB LEU A 23 147.895 8.504 3.230 1.00 0.46 C ATOM 338 CG LEU A 23 149.225 7.915 3.801 1.00 0.50 C ATOM 339 CD1 LEU A 23 148.998 7.426 5.229 1.00 0.54 C ATOM 340 CD2 LEU A 23 149.775 6.752 2.958 1.00 0.61 C ATOM 0 H LEU A 23 146.549 9.987 1.697 1.00 0.41 H new ATOM 0 HA LEU A 23 148.647 7.995 1.275 1.00 0.42 H new ATOM 0 HB2 LEU A 23 147.898 9.586 3.364 1.00 0.46 H new ATOM 0 HB3 LEU A 23 147.056 8.114 3.806 1.00 0.46 H new ATOM 0 HG LEU A 23 149.962 8.718 3.776 1.00 0.50 H new ATOM 0 HD11 LEU A 23 149.927 7.016 5.625 1.00 0.54 H new ATOM 0 HD12 LEU A 23 148.675 8.260 5.852 1.00 0.54 H new ATOM 0 HD13 LEU A 23 148.230 6.653 5.231 1.00 0.54 H new ATOM 0 HD21 LEU A 23 150.699 6.385 3.404 1.00 0.61 H new ATOM 0 HD22 LEU A 23 149.042 5.946 2.927 1.00 0.61 H new ATOM 0 HD23 LEU A 23 149.974 7.100 1.944 1.00 0.61 H new ATOM 352 N GLU A 24 147.177 5.970 0.839 1.00 0.43 N ATOM 353 CA GLU A 24 146.328 4.758 0.629 1.00 0.48 C ATOM 354 C GLU A 24 146.812 3.637 1.537 1.00 0.48 C ATOM 355 O GLU A 24 147.997 3.353 1.613 1.00 0.72 O ATOM 356 CB GLU A 24 146.414 4.320 -0.843 1.00 0.58 C ATOM 357 CG GLU A 24 145.005 4.194 -1.443 1.00 0.88 C ATOM 358 CD GLU A 24 145.045 3.329 -2.710 1.00 1.41 C ATOM 359 OE1 GLU A 24 145.993 3.457 -3.472 1.00 2.01 O ATOM 360 OE2 GLU A 24 144.120 2.557 -2.902 1.00 2.05 O ATOM 0 H GLU A 24 148.075 5.950 0.356 1.00 0.43 H new ATOM 0 HA GLU A 24 145.291 4.990 0.871 1.00 0.48 H new ATOM 0 HB2 GLU A 24 146.996 5.045 -1.412 1.00 0.58 H new ATOM 0 HB3 GLU A 24 146.935 3.365 -0.916 1.00 0.58 H new ATOM 0 HG2 GLU A 24 144.329 3.751 -0.712 1.00 0.88 H new ATOM 0 HG3 GLU A 24 144.613 5.183 -1.681 1.00 0.88 H new ATOM 367 N PHE A 25 145.890 3.010 2.221 1.00 0.38 N ATOM 368 CA PHE A 25 146.236 1.898 3.147 1.00 0.38 C ATOM 369 C PHE A 25 145.559 0.625 2.674 1.00 0.39 C ATOM 370 O PHE A 25 144.341 0.558 2.603 1.00 0.44 O ATOM 371 CB PHE A 25 145.740 2.248 4.543 1.00 0.42 C ATOM 372 CG PHE A 25 146.828 2.975 5.283 1.00 0.45 C ATOM 373 CD1 PHE A 25 148.063 2.358 5.517 1.00 1.22 C ATOM 374 CD2 PHE A 25 146.600 4.271 5.729 1.00 1.16 C ATOM 375 CE1 PHE A 25 149.067 3.052 6.203 1.00 1.26 C ATOM 376 CE2 PHE A 25 147.598 4.962 6.413 1.00 1.22 C ATOM 377 CZ PHE A 25 148.832 4.355 6.651 1.00 0.66 C ATOM 0 H PHE A 25 144.895 3.228 2.174 1.00 0.38 H new ATOM 0 HA PHE A 25 147.316 1.749 3.165 1.00 0.38 H new ATOM 0 HB2 PHE A 25 144.847 2.870 4.480 1.00 0.42 H new ATOM 0 HB3 PHE A 25 145.460 1.342 5.081 1.00 0.42 H new ATOM 0 HD1 PHE A 25 148.240 1.351 5.170 1.00 1.22 H new ATOM 0 HD2 PHE A 25 145.647 4.744 5.545 1.00 1.16 H new ATOM 0 HE1 PHE A 25 150.022 2.581 6.386 1.00 1.26 H new ATOM 0 HE2 PHE A 25 147.416 5.969 6.759 1.00 1.22 H new ATOM 0 HZ PHE A 25 149.605 4.892 7.181 1.00 0.66 H new ATOM 387 N PHE A 26 146.340 -0.383 2.355 1.00 0.38 N ATOM 388 CA PHE A 26 145.739 -1.671 1.886 1.00 0.39 C ATOM 389 C PHE A 26 146.718 -2.825 2.151 1.00 0.42 C ATOM 390 O PHE A 26 147.922 -2.664 2.026 1.00 0.42 O ATOM 391 CB PHE A 26 145.385 -1.549 0.379 1.00 0.39 C ATOM 392 CG PHE A 26 146.597 -1.790 -0.507 1.00 0.41 C ATOM 393 CD1 PHE A 26 147.728 -0.982 -0.380 1.00 1.26 C ATOM 394 CD2 PHE A 26 146.577 -2.825 -1.448 1.00 1.30 C ATOM 395 CE1 PHE A 26 148.843 -1.206 -1.196 1.00 1.28 C ATOM 396 CE2 PHE A 26 147.692 -3.049 -2.266 1.00 1.35 C ATOM 397 CZ PHE A 26 148.824 -2.240 -2.138 1.00 0.58 C ATOM 0 H PHE A 26 147.359 -0.368 2.399 1.00 0.38 H new ATOM 0 HA PHE A 26 144.821 -1.884 2.434 1.00 0.39 H new ATOM 0 HB2 PHE A 26 144.604 -2.267 0.130 1.00 0.39 H new ATOM 0 HB3 PHE A 26 144.981 -0.557 0.180 1.00 0.39 H new ATOM 0 HD1 PHE A 26 147.743 -0.184 0.348 1.00 1.26 H new ATOM 0 HD2 PHE A 26 145.702 -3.451 -1.544 1.00 1.30 H new ATOM 0 HE1 PHE A 26 149.718 -0.581 -1.098 1.00 1.28 H new ATOM 0 HE2 PHE A 26 147.677 -3.846 -2.995 1.00 1.35 H new ATOM 0 HZ PHE A 26 149.685 -2.413 -2.767 1.00 0.58 H new ATOM 407 N SER A 27 146.197 -3.977 2.510 1.00 0.49 N ATOM 408 CA SER A 27 147.058 -5.169 2.786 1.00 0.54 C ATOM 409 C SER A 27 146.705 -6.281 1.806 1.00 0.51 C ATOM 410 O SER A 27 145.675 -6.236 1.161 1.00 0.60 O ATOM 411 CB SER A 27 146.798 -5.674 4.206 1.00 0.59 C ATOM 412 OG SER A 27 145.403 -5.606 4.487 1.00 1.25 O ATOM 0 H SER A 27 145.197 -4.141 2.624 1.00 0.49 H new ATOM 0 HA SER A 27 148.105 -4.887 2.678 1.00 0.54 H new ATOM 0 HB2 SER A 27 147.151 -6.700 4.309 1.00 0.59 H new ATOM 0 HB3 SER A 27 147.354 -5.072 4.925 1.00 0.59 H new ATOM 0 HG SER A 27 145.236 -5.931 5.396 1.00 1.25 H new ATOM 418 N PHE A 28 147.535 -7.299 1.735 1.00 0.49 N ATOM 419 CA PHE A 28 147.265 -8.469 0.843 1.00 0.53 C ATOM 420 C PHE A 28 146.501 -9.494 1.683 1.00 0.44 C ATOM 421 O PHE A 28 146.899 -10.643 1.833 1.00 0.42 O ATOM 422 CB PHE A 28 148.593 -9.067 0.346 1.00 0.69 C ATOM 423 CG PHE A 28 149.529 -8.003 -0.213 1.00 0.51 C ATOM 424 CD1 PHE A 28 149.064 -6.729 -0.583 1.00 1.35 C ATOM 425 CD2 PHE A 28 150.880 -8.318 -0.376 1.00 1.21 C ATOM 426 CE1 PHE A 28 149.951 -5.784 -1.109 1.00 1.34 C ATOM 427 CE2 PHE A 28 151.766 -7.372 -0.901 1.00 1.19 C ATOM 428 CZ PHE A 28 151.301 -6.105 -1.268 1.00 0.42 C ATOM 0 H PHE A 28 148.402 -7.366 2.268 1.00 0.49 H new ATOM 0 HA PHE A 28 146.686 -8.175 -0.032 1.00 0.53 H new ATOM 0 HB2 PHE A 28 149.086 -9.587 1.168 1.00 0.69 H new ATOM 0 HB3 PHE A 28 148.389 -9.810 -0.425 1.00 0.69 H new ATOM 0 HD1 PHE A 28 148.020 -6.480 -0.461 1.00 1.35 H new ATOM 0 HD2 PHE A 28 151.242 -9.296 -0.095 1.00 1.21 H new ATOM 0 HE1 PHE A 28 149.592 -4.806 -1.392 1.00 1.34 H new ATOM 0 HE2 PHE A 28 152.810 -7.620 -1.023 1.00 1.19 H new ATOM 0 HZ PHE A 28 151.986 -5.375 -1.674 1.00 0.42 H new ATOM 438 N PHE A 29 145.431 -9.042 2.284 1.00 0.42 N ATOM 439 CA PHE A 29 144.635 -9.902 3.190 1.00 0.39 C ATOM 440 C PHE A 29 143.158 -9.482 3.200 1.00 0.45 C ATOM 441 O PHE A 29 142.393 -9.998 4.002 1.00 0.53 O ATOM 442 CB PHE A 29 145.218 -9.711 4.591 1.00 0.43 C ATOM 443 CG PHE A 29 146.283 -10.743 4.886 1.00 0.52 C ATOM 444 CD1 PHE A 29 147.608 -10.502 4.515 1.00 1.29 C ATOM 445 CD2 PHE A 29 145.952 -11.924 5.558 1.00 1.43 C ATOM 446 CE1 PHE A 29 148.602 -11.441 4.813 1.00 1.45 C ATOM 447 CE2 PHE A 29 146.948 -12.861 5.859 1.00 1.70 C ATOM 448 CZ PHE A 29 148.273 -12.619 5.485 1.00 1.25 C ATOM 0 H PHE A 29 145.074 -8.092 2.178 1.00 0.42 H new ATOM 0 HA PHE A 29 144.681 -10.940 2.860 1.00 0.39 H new ATOM 0 HB2 PHE A 29 145.643 -8.711 4.678 1.00 0.43 H new ATOM 0 HB3 PHE A 29 144.422 -9.784 5.332 1.00 0.43 H new ATOM 0 HD1 PHE A 29 147.866 -9.590 3.997 1.00 1.29 H new ATOM 0 HD2 PHE A 29 144.928 -12.113 5.845 1.00 1.43 H new ATOM 0 HE1 PHE A 29 149.625 -11.254 4.522 1.00 1.45 H new ATOM 0 HE2 PHE A 29 146.692 -13.771 6.381 1.00 1.70 H new ATOM 0 HZ PHE A 29 149.041 -13.343 5.716 1.00 1.25 H new ATOM 458 N CYS A 30 142.737 -8.556 2.341 1.00 0.48 N ATOM 459 CA CYS A 30 141.303 -8.134 2.359 1.00 0.57 C ATOM 460 C CYS A 30 140.604 -8.587 1.073 1.00 0.56 C ATOM 461 O CYS A 30 141.270 -8.935 0.116 1.00 0.53 O ATOM 462 CB CYS A 30 141.230 -6.611 2.488 1.00 0.67 C ATOM 463 SG CYS A 30 140.915 -6.186 4.217 1.00 1.05 S ATOM 0 H CYS A 30 143.322 -8.091 1.647 1.00 0.48 H new ATOM 0 HA CYS A 30 140.799 -8.596 3.208 1.00 0.57 H new ATOM 0 HB2 CYS A 30 142.163 -6.159 2.152 1.00 0.67 H new ATOM 0 HB3 CYS A 30 140.438 -6.216 1.852 1.00 0.67 H new ATOM 0 HG CYS A 30 140.853 -4.893 4.342 1.00 1.05 H new ATOM 469 N PRO A 31 139.277 -8.567 1.073 1.00 0.62 N ATOM 470 CA PRO A 31 138.498 -8.962 -0.110 1.00 0.65 C ATOM 471 C PRO A 31 138.537 -7.817 -1.113 1.00 0.64 C ATOM 472 O PRO A 31 138.591 -8.036 -2.313 1.00 0.66 O ATOM 473 CB PRO A 31 137.087 -9.198 0.436 1.00 0.75 C ATOM 474 CG PRO A 31 136.990 -8.396 1.755 1.00 0.78 C ATOM 475 CD PRO A 31 138.437 -8.151 2.228 1.00 0.70 C ATOM 0 HA PRO A 31 138.872 -9.848 -0.623 1.00 0.65 H new ATOM 0 HB2 PRO A 31 136.334 -8.865 -0.278 1.00 0.75 H new ATOM 0 HB3 PRO A 31 136.911 -10.259 0.613 1.00 0.75 H new ATOM 0 HG2 PRO A 31 136.469 -7.452 1.597 1.00 0.78 H new ATOM 0 HG3 PRO A 31 136.426 -8.950 2.505 1.00 0.78 H new ATOM 0 HD2 PRO A 31 138.600 -7.104 2.482 1.00 0.70 H new ATOM 0 HD3 PRO A 31 138.668 -8.735 3.119 1.00 0.70 H new ATOM 483 N HIS A 32 138.556 -6.599 -0.615 1.00 0.71 N ATOM 484 CA HIS A 32 138.644 -5.414 -1.508 1.00 0.73 C ATOM 485 C HIS A 32 140.063 -5.346 -2.034 1.00 0.69 C ATOM 486 O HIS A 32 140.256 -5.057 -3.182 1.00 0.72 O ATOM 487 CB HIS A 32 138.339 -4.132 -0.731 1.00 0.83 C ATOM 488 CG HIS A 32 136.870 -4.048 -0.450 1.00 1.34 C ATOM 489 ND1 HIS A 32 136.295 -4.673 0.641 1.00 2.14 N ATOM 490 CD2 HIS A 32 135.843 -3.422 -1.110 1.00 2.21 C ATOM 491 CE1 HIS A 32 134.977 -4.417 0.606 1.00 2.83 C ATOM 492 NE2 HIS A 32 134.646 -3.657 -0.442 1.00 2.92 N ATOM 0 H HIS A 32 138.514 -6.383 0.381 1.00 0.71 H new ATOM 0 HA HIS A 32 137.922 -5.505 -2.319 1.00 0.73 H new ATOM 0 HB2 HIS A 32 138.899 -4.120 0.204 1.00 0.83 H new ATOM 0 HB3 HIS A 32 138.659 -3.263 -1.305 1.00 0.83 H new ATOM 0 HD2 HIS A 32 135.948 -2.836 -2.011 1.00 2.21 H new ATOM 0 HE1 HIS A 32 134.270 -4.781 1.337 1.00 2.83 H new ATOM 0 HE2 HIS A 32 133.717 -3.322 -0.697 1.00 2.92 H new ATOM 500 N CYS A 33 141.052 -5.634 -1.188 1.00 0.65 N ATOM 501 CA CYS A 33 142.514 -5.614 -1.602 1.00 0.65 C ATOM 502 C CYS A 33 142.661 -5.960 -3.092 1.00 0.64 C ATOM 503 O CYS A 33 143.103 -5.159 -3.899 1.00 0.74 O ATOM 504 CB CYS A 33 143.284 -6.661 -0.779 1.00 0.65 C ATOM 505 SG CYS A 33 144.916 -6.973 -1.517 1.00 1.67 S ATOM 0 H CYS A 33 140.901 -5.886 -0.211 1.00 0.65 H new ATOM 0 HA CYS A 33 142.912 -4.615 -1.426 1.00 0.65 H new ATOM 0 HB2 CYS A 33 143.403 -6.311 0.247 1.00 0.65 H new ATOM 0 HB3 CYS A 33 142.714 -7.589 -0.735 1.00 0.65 H new ATOM 0 HG CYS A 33 145.842 -6.490 -0.743 1.00 1.67 H new ATOM 511 N TYR A 34 142.277 -7.161 -3.419 1.00 0.60 N ATOM 512 CA TYR A 34 142.349 -7.661 -4.822 1.00 0.62 C ATOM 513 C TYR A 34 141.380 -6.884 -5.708 1.00 0.62 C ATOM 514 O TYR A 34 141.766 -6.321 -6.718 1.00 0.70 O ATOM 515 CB TYR A 34 141.948 -9.129 -4.784 1.00 0.62 C ATOM 516 CG TYR A 34 142.013 -9.767 -6.152 1.00 0.68 C ATOM 517 CD1 TYR A 34 141.038 -9.487 -7.116 1.00 1.47 C ATOM 518 CD2 TYR A 34 143.039 -10.667 -6.441 1.00 1.33 C ATOM 519 CE1 TYR A 34 141.097 -10.106 -8.371 1.00 1.54 C ATOM 520 CE2 TYR A 34 143.096 -11.288 -7.692 1.00 1.37 C ATOM 521 CZ TYR A 34 142.124 -11.007 -8.657 1.00 0.90 C ATOM 522 OH TYR A 34 142.175 -11.626 -9.889 1.00 1.03 O ATOM 0 H TYR A 34 141.905 -7.838 -2.753 1.00 0.60 H new ATOM 0 HA TYR A 34 143.352 -7.534 -5.230 1.00 0.62 H new ATOM 0 HB2 TYR A 34 142.605 -9.667 -4.101 1.00 0.62 H new ATOM 0 HB3 TYR A 34 140.936 -9.219 -4.389 1.00 0.62 H new ATOM 0 HD1 TYR A 34 140.240 -8.794 -6.892 1.00 1.47 H new ATOM 0 HD2 TYR A 34 143.791 -10.884 -5.697 1.00 1.33 H new ATOM 0 HE1 TYR A 34 140.348 -9.886 -9.117 1.00 1.54 H new ATOM 0 HE2 TYR A 34 143.891 -11.985 -7.913 1.00 1.37 H new ATOM 0 HH TYR A 34 142.953 -12.221 -9.924 1.00 1.03 H new ATOM 532 N GLN A 35 140.126 -6.871 -5.335 1.00 0.60 N ATOM 533 CA GLN A 35 139.088 -6.165 -6.137 1.00 0.64 C ATOM 534 C GLN A 35 139.431 -4.673 -6.300 1.00 0.67 C ATOM 535 O GLN A 35 138.915 -4.010 -7.184 1.00 0.74 O ATOM 536 CB GLN A 35 137.737 -6.357 -5.460 1.00 0.68 C ATOM 537 CG GLN A 35 137.264 -7.785 -5.770 1.00 0.73 C ATOM 538 CD GLN A 35 136.174 -8.234 -4.791 1.00 1.27 C ATOM 539 OE1 GLN A 35 135.467 -7.427 -4.216 1.00 1.88 O ATOM 540 NE2 GLN A 35 136.005 -9.512 -4.584 1.00 1.80 N ATOM 0 H GLN A 35 139.774 -7.328 -4.494 1.00 0.60 H new ATOM 0 HA GLN A 35 139.051 -6.588 -7.141 1.00 0.64 H new ATOM 0 HB2 GLN A 35 137.823 -6.207 -4.384 1.00 0.68 H new ATOM 0 HB3 GLN A 35 137.017 -5.626 -5.828 1.00 0.68 H new ATOM 0 HG2 GLN A 35 136.882 -7.831 -6.790 1.00 0.73 H new ATOM 0 HG3 GLN A 35 138.110 -8.471 -5.716 1.00 0.73 H new ATOM 0 HE21 GLN A 35 136.597 -10.189 -5.065 1.00 1.80 H new ATOM 0 HE22 GLN A 35 135.281 -9.833 -3.941 1.00 1.80 H new ATOM 549 N PHE A 36 140.295 -4.155 -5.453 1.00 0.70 N ATOM 550 CA PHE A 36 140.699 -2.716 -5.518 1.00 0.78 C ATOM 551 C PHE A 36 141.880 -2.537 -6.487 1.00 0.84 C ATOM 552 O PHE A 36 141.938 -1.557 -7.211 1.00 0.95 O ATOM 553 CB PHE A 36 141.131 -2.252 -4.110 1.00 0.87 C ATOM 554 CG PHE A 36 140.356 -1.028 -3.688 1.00 0.87 C ATOM 555 CD1 PHE A 36 138.970 -1.090 -3.538 1.00 1.80 C ATOM 556 CD2 PHE A 36 141.032 0.167 -3.438 1.00 1.28 C ATOM 557 CE1 PHE A 36 138.260 0.046 -3.132 1.00 2.26 C ATOM 558 CE2 PHE A 36 140.323 1.303 -3.034 1.00 1.61 C ATOM 559 CZ PHE A 36 138.937 1.243 -2.883 1.00 1.89 C ATOM 0 H PHE A 36 140.744 -4.684 -4.705 1.00 0.70 H new ATOM 0 HA PHE A 36 139.855 -2.124 -5.871 1.00 0.78 H new ATOM 0 HB2 PHE A 36 140.969 -3.056 -3.392 1.00 0.87 H new ATOM 0 HB3 PHE A 36 142.198 -2.031 -4.106 1.00 0.87 H new ATOM 0 HD1 PHE A 36 138.446 -2.013 -3.735 1.00 1.80 H new ATOM 0 HD2 PHE A 36 142.104 0.215 -3.557 1.00 1.28 H new ATOM 0 HE1 PHE A 36 137.188 -0.003 -3.011 1.00 2.26 H new ATOM 0 HE2 PHE A 36 140.848 2.226 -2.839 1.00 1.61 H new ATOM 0 HZ PHE A 36 138.388 2.120 -2.574 1.00 1.89 H new ATOM 569 N GLU A 37 142.837 -3.451 -6.468 1.00 0.85 N ATOM 570 CA GLU A 37 144.048 -3.320 -7.346 1.00 0.95 C ATOM 571 C GLU A 37 144.052 -4.353 -8.488 1.00 0.95 C ATOM 572 O GLU A 37 145.053 -4.486 -9.176 1.00 1.37 O ATOM 573 CB GLU A 37 145.296 -3.537 -6.475 1.00 1.08 C ATOM 574 CG GLU A 37 146.302 -2.406 -6.702 1.00 1.48 C ATOM 575 CD GLU A 37 147.711 -2.909 -6.387 1.00 1.84 C ATOM 576 OE1 GLU A 37 148.064 -2.928 -5.219 1.00 2.46 O ATOM 577 OE2 GLU A 37 148.412 -3.268 -7.318 1.00 2.29 O ATOM 0 H GLU A 37 142.826 -4.283 -5.878 1.00 0.85 H new ATOM 0 HA GLU A 37 144.039 -2.328 -7.798 1.00 0.95 H new ATOM 0 HB2 GLU A 37 145.012 -3.575 -5.423 1.00 1.08 H new ATOM 0 HB3 GLU A 37 145.755 -4.496 -6.717 1.00 1.08 H new ATOM 0 HG2 GLU A 37 146.250 -2.060 -7.734 1.00 1.48 H new ATOM 0 HG3 GLU A 37 146.058 -1.554 -6.067 1.00 1.48 H new ATOM 584 N GLU A 38 142.977 -5.095 -8.683 1.00 0.86 N ATOM 585 CA GLU A 38 142.972 -6.139 -9.779 1.00 0.90 C ATOM 586 C GLU A 38 141.708 -6.101 -10.665 1.00 0.92 C ATOM 587 O GLU A 38 141.809 -6.294 -11.864 1.00 1.40 O ATOM 588 CB GLU A 38 143.106 -7.531 -9.155 1.00 1.02 C ATOM 589 CG GLU A 38 144.550 -7.744 -8.688 1.00 1.11 C ATOM 590 CD GLU A 38 145.319 -8.535 -9.747 1.00 1.39 C ATOM 591 OE1 GLU A 38 145.582 -7.976 -10.799 1.00 2.04 O ATOM 592 OE2 GLU A 38 145.630 -9.686 -9.487 1.00 1.84 O ATOM 0 H GLU A 38 142.115 -5.027 -8.142 1.00 0.86 H new ATOM 0 HA GLU A 38 143.818 -5.913 -10.428 1.00 0.90 H new ATOM 0 HB2 GLU A 38 142.421 -7.631 -8.313 1.00 1.02 H new ATOM 0 HB3 GLU A 38 142.831 -8.295 -9.882 1.00 1.02 H new ATOM 0 HG2 GLU A 38 145.033 -6.782 -8.516 1.00 1.11 H new ATOM 0 HG3 GLU A 38 144.561 -8.281 -7.739 1.00 1.11 H new ATOM 599 N VAL A 39 140.531 -5.905 -10.100 1.00 0.78 N ATOM 600 CA VAL A 39 139.272 -5.906 -10.914 1.00 0.80 C ATOM 601 C VAL A 39 138.718 -4.480 -11.075 1.00 0.75 C ATOM 602 O VAL A 39 138.721 -3.931 -12.164 1.00 0.85 O ATOM 603 CB VAL A 39 138.235 -6.789 -10.201 1.00 0.98 C ATOM 604 CG1 VAL A 39 136.929 -6.828 -11.002 1.00 1.17 C ATOM 605 CG2 VAL A 39 138.786 -8.213 -10.065 1.00 1.13 C ATOM 0 H VAL A 39 140.393 -5.744 -9.102 1.00 0.78 H new ATOM 0 HA VAL A 39 139.487 -6.296 -11.909 1.00 0.80 H new ATOM 0 HB VAL A 39 138.035 -6.371 -9.214 1.00 0.98 H new ATOM 0 HG11 VAL A 39 136.204 -7.457 -10.485 1.00 1.17 H new ATOM 0 HG12 VAL A 39 136.530 -5.818 -11.098 1.00 1.17 H new ATOM 0 HG13 VAL A 39 137.122 -7.237 -11.994 1.00 1.17 H new ATOM 0 HG21 VAL A 39 138.052 -8.840 -9.560 1.00 1.13 H new ATOM 0 HG22 VAL A 39 138.991 -8.620 -11.055 1.00 1.13 H new ATOM 0 HG23 VAL A 39 139.708 -8.193 -9.483 1.00 1.13 H new ATOM 615 N LEU A 40 138.213 -3.906 -10.004 1.00 0.75 N ATOM 616 CA LEU A 40 137.607 -2.534 -10.064 1.00 0.85 C ATOM 617 C LEU A 40 138.600 -1.500 -10.615 1.00 0.77 C ATOM 618 O LEU A 40 138.189 -0.466 -11.116 1.00 0.88 O ATOM 619 CB LEU A 40 137.174 -2.118 -8.660 1.00 0.98 C ATOM 620 CG LEU A 40 136.106 -3.080 -8.144 1.00 1.15 C ATOM 621 CD1 LEU A 40 136.100 -3.050 -6.614 1.00 1.23 C ATOM 622 CD2 LEU A 40 134.736 -2.647 -8.674 1.00 1.27 C ATOM 0 H LEU A 40 138.195 -4.337 -9.079 1.00 0.75 H new ATOM 0 HA LEU A 40 136.749 -2.569 -10.736 1.00 0.85 H new ATOM 0 HB2 LEU A 40 138.033 -2.119 -7.989 1.00 0.98 H new ATOM 0 HB3 LEU A 40 136.783 -1.101 -8.676 1.00 0.98 H new ATOM 0 HG LEU A 40 136.322 -4.092 -8.487 1.00 1.15 H new ATOM 0 HD11 LEU A 40 135.339 -3.735 -6.240 1.00 1.23 H new ATOM 0 HD12 LEU A 40 137.078 -3.354 -6.240 1.00 1.23 H new ATOM 0 HD13 LEU A 40 135.879 -2.039 -6.271 1.00 1.23 H new ATOM 0 HD21 LEU A 40 133.971 -3.332 -8.308 1.00 1.27 H new ATOM 0 HD22 LEU A 40 134.515 -1.637 -8.328 1.00 1.27 H new ATOM 0 HD23 LEU A 40 134.746 -2.664 -9.764 1.00 1.27 H new ATOM 634 N HIS A 41 139.888 -1.760 -10.515 1.00 0.74 N ATOM 635 CA HIS A 41 140.914 -0.785 -11.022 1.00 0.89 C ATOM 636 C HIS A 41 140.757 0.575 -10.301 1.00 0.84 C ATOM 637 O HIS A 41 141.236 1.589 -10.785 1.00 1.01 O ATOM 638 CB HIS A 41 140.722 -0.561 -12.533 1.00 1.14 C ATOM 639 CG HIS A 41 140.973 -1.826 -13.314 1.00 1.46 C ATOM 640 ND1 HIS A 41 141.453 -2.991 -12.738 1.00 2.01 N ATOM 641 CD2 HIS A 41 140.819 -2.108 -14.650 1.00 2.20 C ATOM 642 CE1 HIS A 41 141.570 -3.908 -13.719 1.00 2.49 C ATOM 643 NE2 HIS A 41 141.197 -3.422 -14.902 1.00 2.67 N ATOM 0 H HIS A 41 140.273 -2.609 -10.102 1.00 0.74 H new ATOM 0 HA HIS A 41 141.905 -1.195 -10.828 1.00 0.89 H new ATOM 0 HB2 HIS A 41 139.708 -0.209 -12.724 1.00 1.14 H new ATOM 0 HB3 HIS A 41 141.401 0.220 -12.875 1.00 1.14 H new ATOM 0 HD2 HIS A 41 140.458 -1.413 -15.393 1.00 2.20 H new ATOM 0 HE1 HIS A 41 141.924 -4.917 -13.564 1.00 2.49 H new ATOM 0 HE2 HIS A 41 141.190 -3.909 -15.798 1.00 2.67 H new ATOM 651 N ILE A 42 140.090 0.604 -9.157 1.00 0.68 N ATOM 652 CA ILE A 42 139.892 1.894 -8.404 1.00 0.68 C ATOM 653 C ILE A 42 141.256 2.552 -8.113 1.00 0.72 C ATOM 654 O ILE A 42 141.329 3.752 -7.906 1.00 0.78 O ATOM 655 CB ILE A 42 139.111 1.603 -7.107 1.00 0.69 C ATOM 656 CG1 ILE A 42 137.649 1.366 -7.487 1.00 0.79 C ATOM 657 CG2 ILE A 42 139.181 2.791 -6.132 1.00 0.70 C ATOM 658 CD1 ILE A 42 136.952 0.559 -6.392 1.00 0.88 C ATOM 0 H ILE A 42 139.674 -0.216 -8.714 1.00 0.68 H new ATOM 0 HA ILE A 42 139.314 2.595 -9.006 1.00 0.68 H new ATOM 0 HB ILE A 42 139.547 0.734 -6.615 1.00 0.69 H new ATOM 0 HG12 ILE A 42 137.141 2.320 -7.627 1.00 0.79 H new ATOM 0 HG13 ILE A 42 137.593 0.833 -8.436 1.00 0.79 H new ATOM 0 HG21 ILE A 42 138.620 2.553 -5.228 1.00 0.70 H new ATOM 0 HG22 ILE A 42 140.221 2.988 -5.873 1.00 0.70 H new ATOM 0 HG23 ILE A 42 138.751 3.675 -6.604 1.00 0.70 H new ATOM 0 HD11 ILE A 42 135.911 0.394 -6.669 1.00 0.88 H new ATOM 0 HD12 ILE A 42 137.453 -0.402 -6.273 1.00 0.88 H new ATOM 0 HD13 ILE A 42 136.995 1.109 -5.452 1.00 0.88 H new ATOM 670 N SER A 43 142.321 1.775 -8.100 1.00 0.74 N ATOM 671 CA SER A 43 143.688 2.338 -7.826 1.00 0.84 C ATOM 672 C SER A 43 144.271 2.928 -9.120 1.00 0.86 C ATOM 673 O SER A 43 144.780 4.035 -9.126 1.00 0.90 O ATOM 674 CB SER A 43 144.628 1.235 -7.314 1.00 0.94 C ATOM 675 OG SER A 43 143.877 0.138 -6.805 1.00 1.20 O ATOM 0 H SER A 43 142.300 0.769 -8.269 1.00 0.74 H new ATOM 0 HA SER A 43 143.598 3.116 -7.067 1.00 0.84 H new ATOM 0 HB2 SER A 43 145.276 0.896 -8.123 1.00 0.94 H new ATOM 0 HB3 SER A 43 145.275 1.634 -6.533 1.00 0.94 H new ATOM 0 HG SER A 43 143.466 -0.350 -7.549 1.00 1.20 H new ATOM 681 N ASP A 44 144.205 2.183 -10.203 1.00 0.96 N ATOM 682 CA ASP A 44 144.753 2.664 -11.516 1.00 1.06 C ATOM 683 C ASP A 44 143.796 3.687 -12.134 1.00 0.99 C ATOM 684 O ASP A 44 144.208 4.557 -12.883 1.00 1.04 O ATOM 685 CB ASP A 44 144.898 1.471 -12.469 1.00 1.24 C ATOM 686 CG ASP A 44 145.981 0.522 -11.951 1.00 2.02 C ATOM 687 OD1 ASP A 44 145.965 0.218 -10.767 1.00 2.65 O ATOM 688 OD2 ASP A 44 146.802 0.107 -12.751 1.00 2.71 O ATOM 0 H ASP A 44 143.790 1.252 -10.232 1.00 0.96 H new ATOM 0 HA ASP A 44 145.724 3.130 -11.352 1.00 1.06 H new ATOM 0 HB2 ASP A 44 143.948 0.943 -12.552 1.00 1.24 H new ATOM 0 HB3 ASP A 44 145.156 1.821 -13.468 1.00 1.24 H new ATOM 693 N ASN A 45 142.522 3.569 -11.832 1.00 0.96 N ATOM 694 CA ASN A 45 141.499 4.508 -12.393 1.00 0.98 C ATOM 695 C ASN A 45 141.665 5.907 -11.793 1.00 0.88 C ATOM 696 O ASN A 45 141.536 6.891 -12.501 1.00 0.98 O ATOM 697 CB ASN A 45 140.098 3.976 -12.098 1.00 1.03 C ATOM 698 CG ASN A 45 139.083 4.696 -12.988 1.00 1.37 C ATOM 699 OD1 ASN A 45 138.628 5.773 -12.656 1.00 2.21 O ATOM 700 ND2 ASN A 45 138.703 4.149 -14.111 1.00 1.78 N ATOM 0 H ASN A 45 142.145 2.852 -11.212 1.00 0.96 H new ATOM 0 HA ASN A 45 141.640 4.577 -13.472 1.00 0.98 H new ATOM 0 HB2 ASN A 45 140.059 2.902 -12.279 1.00 1.03 H new ATOM 0 HB3 ASN A 45 139.852 4.131 -11.048 1.00 1.03 H new ATOM 0 HD21 ASN A 45 138.026 4.625 -14.707 1.00 1.78 H new ATOM 0 HD22 ASN A 45 139.083 3.245 -14.392 1.00 1.78 H new ATOM 707 N VAL A 46 141.944 6.014 -10.506 1.00 0.79 N ATOM 708 CA VAL A 46 142.114 7.370 -9.895 1.00 0.79 C ATOM 709 C VAL A 46 143.400 8.010 -10.442 1.00 0.88 C ATOM 710 O VAL A 46 143.448 9.205 -10.661 1.00 0.98 O ATOM 711 CB VAL A 46 142.140 7.282 -8.362 1.00 0.79 C ATOM 712 CG1 VAL A 46 140.933 6.475 -7.873 1.00 1.69 C ATOM 713 CG2 VAL A 46 143.437 6.632 -7.867 1.00 1.44 C ATOM 0 H VAL A 46 142.059 5.229 -9.865 1.00 0.79 H new ATOM 0 HA VAL A 46 141.264 7.998 -10.164 1.00 0.79 H new ATOM 0 HB VAL A 46 142.093 8.294 -7.959 1.00 0.79 H new ATOM 0 HG11 VAL A 46 140.953 6.414 -6.785 1.00 1.69 H new ATOM 0 HG12 VAL A 46 140.014 6.966 -8.192 1.00 1.69 H new ATOM 0 HG13 VAL A 46 140.972 5.470 -8.294 1.00 1.69 H new ATOM 0 HG21 VAL A 46 143.427 6.583 -6.778 1.00 1.44 H new ATOM 0 HG22 VAL A 46 143.518 5.624 -8.275 1.00 1.44 H new ATOM 0 HG23 VAL A 46 144.290 7.226 -8.196 1.00 1.44 H new ATOM 723 N LYS A 47 144.428 7.205 -10.679 1.00 0.93 N ATOM 724 CA LYS A 47 145.729 7.732 -11.227 1.00 1.07 C ATOM 725 C LYS A 47 145.478 8.487 -12.528 1.00 1.18 C ATOM 726 O LYS A 47 146.091 9.512 -12.785 1.00 1.33 O ATOM 727 CB LYS A 47 146.680 6.574 -11.510 1.00 1.20 C ATOM 728 CG LYS A 47 147.306 6.104 -10.196 1.00 1.20 C ATOM 729 CD LYS A 47 148.775 5.725 -10.420 1.00 1.39 C ATOM 730 CE LYS A 47 149.610 6.152 -9.209 1.00 1.49 C ATOM 731 NZ LYS A 47 151.031 5.769 -9.433 1.00 2.11 N ATOM 0 H LYS A 47 144.416 6.199 -10.513 1.00 0.93 H new ATOM 0 HA LYS A 47 146.171 8.403 -10.490 1.00 1.07 H new ATOM 0 HB2 LYS A 47 146.142 5.753 -11.984 1.00 1.20 H new ATOM 0 HB3 LYS A 47 147.458 6.889 -12.205 1.00 1.20 H new ATOM 0 HG2 LYS A 47 147.236 6.893 -9.448 1.00 1.20 H new ATOM 0 HG3 LYS A 47 146.756 5.247 -9.808 1.00 1.20 H new ATOM 0 HD2 LYS A 47 148.864 4.650 -10.574 1.00 1.39 H new ATOM 0 HD3 LYS A 47 149.152 6.208 -11.322 1.00 1.39 H new ATOM 0 HE2 LYS A 47 149.531 7.229 -9.059 1.00 1.49 H new ATOM 0 HE3 LYS A 47 149.231 5.676 -8.305 1.00 1.49 H new ATOM 0 HZ1 LYS A 47 151.602 6.057 -8.613 1.00 2.11 H new ATOM 0 HZ2 LYS A 47 151.098 4.738 -9.556 1.00 2.11 H new ATOM 0 HZ3 LYS A 47 151.388 6.243 -10.287 1.00 2.11 H new ATOM 745 N LYS A 48 144.570 7.983 -13.340 1.00 1.18 N ATOM 746 CA LYS A 48 144.228 8.644 -14.638 1.00 1.36 C ATOM 747 C LYS A 48 143.833 10.090 -14.366 1.00 1.35 C ATOM 748 O LYS A 48 144.136 10.988 -15.134 1.00 1.55 O ATOM 749 CB LYS A 48 143.048 7.906 -15.279 1.00 1.44 C ATOM 750 CG LYS A 48 143.166 7.985 -16.810 1.00 1.85 C ATOM 751 CD LYS A 48 141.854 8.501 -17.415 1.00 2.41 C ATOM 752 CE LYS A 48 141.096 7.360 -18.094 1.00 2.97 C ATOM 753 NZ LYS A 48 141.185 7.530 -19.576 1.00 3.72 N ATOM 0 H LYS A 48 144.047 7.128 -13.150 1.00 1.18 H new ATOM 0 HA LYS A 48 145.086 8.616 -15.310 1.00 1.36 H new ATOM 0 HB2 LYS A 48 143.038 6.865 -14.957 1.00 1.44 H new ATOM 0 HB3 LYS A 48 142.107 8.349 -14.953 1.00 1.44 H new ATOM 0 HG2 LYS A 48 143.987 8.647 -17.085 1.00 1.85 H new ATOM 0 HG3 LYS A 48 143.400 7.001 -17.216 1.00 1.85 H new ATOM 0 HD2 LYS A 48 141.235 8.943 -16.634 1.00 2.41 H new ATOM 0 HD3 LYS A 48 142.065 9.288 -18.139 1.00 2.41 H new ATOM 0 HE2 LYS A 48 141.519 6.400 -17.799 1.00 2.97 H new ATOM 0 HE3 LYS A 48 140.053 7.360 -17.777 1.00 2.97 H new ATOM 0 HZ1 LYS A 48 140.671 6.757 -20.046 1.00 3.72 H new ATOM 0 HZ2 LYS A 48 140.763 8.441 -19.847 1.00 3.72 H new ATOM 0 HZ3 LYS A 48 142.183 7.510 -19.868 1.00 3.72 H new ATOM 767 N LYS A 49 143.149 10.298 -13.265 1.00 1.20 N ATOM 768 CA LYS A 49 142.684 11.665 -12.888 1.00 1.32 C ATOM 769 C LYS A 49 143.568 12.260 -11.776 1.00 1.24 C ATOM 770 O LYS A 49 143.090 13.019 -10.945 1.00 1.34 O ATOM 771 CB LYS A 49 141.225 11.586 -12.415 1.00 1.49 C ATOM 772 CG LYS A 49 140.331 11.185 -13.587 1.00 1.90 C ATOM 773 CD LYS A 49 138.896 11.671 -13.340 1.00 2.11 C ATOM 774 CE LYS A 49 138.062 11.504 -14.621 1.00 2.66 C ATOM 775 NZ LYS A 49 137.436 12.806 -15.018 1.00 3.17 N ATOM 0 H LYS A 49 142.891 9.565 -12.604 1.00 1.20 H new ATOM 0 HA LYS A 49 142.756 12.316 -13.759 1.00 1.32 H new ATOM 0 HB2 LYS A 49 141.132 10.860 -11.608 1.00 1.49 H new ATOM 0 HB3 LYS A 49 140.908 12.549 -12.015 1.00 1.49 H new ATOM 0 HG2 LYS A 49 140.715 11.614 -14.512 1.00 1.90 H new ATOM 0 HG3 LYS A 49 140.341 10.102 -13.710 1.00 1.90 H new ATOM 0 HD2 LYS A 49 138.445 11.104 -12.525 1.00 2.11 H new ATOM 0 HD3 LYS A 49 138.904 12.717 -13.034 1.00 2.11 H new ATOM 0 HE2 LYS A 49 138.696 11.138 -15.429 1.00 2.66 H new ATOM 0 HE3 LYS A 49 137.286 10.755 -14.461 1.00 2.66 H new ATOM 0 HZ1 LYS A 49 136.877 12.672 -15.885 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 136.815 13.140 -14.254 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 138.181 13.511 -15.191 1.00 3.17 H new ATOM 789 N LEU A 50 144.848 11.941 -11.765 1.00 1.18 N ATOM 790 CA LEU A 50 145.765 12.513 -10.724 1.00 1.20 C ATOM 791 C LEU A 50 146.705 13.552 -11.388 1.00 1.20 C ATOM 792 O LEU A 50 147.757 13.184 -11.890 1.00 1.45 O ATOM 793 CB LEU A 50 146.609 11.393 -10.081 1.00 1.25 C ATOM 794 CG LEU A 50 145.808 10.639 -9.007 1.00 1.31 C ATOM 795 CD1 LEU A 50 146.700 9.567 -8.364 1.00 1.62 C ATOM 796 CD2 LEU A 50 145.323 11.613 -7.926 1.00 1.36 C ATOM 0 H LEU A 50 145.293 11.310 -12.432 1.00 1.18 H new ATOM 0 HA LEU A 50 145.169 12.994 -9.948 1.00 1.20 H new ATOM 0 HB2 LEU A 50 146.937 10.694 -10.851 1.00 1.25 H new ATOM 0 HB3 LEU A 50 147.507 11.821 -9.635 1.00 1.25 H new ATOM 0 HG LEU A 50 144.943 10.169 -9.475 1.00 1.31 H new ATOM 0 HD11 LEU A 50 146.134 9.031 -7.602 1.00 1.62 H new ATOM 0 HD12 LEU A 50 147.034 8.865 -9.128 1.00 1.62 H new ATOM 0 HD13 LEU A 50 147.567 10.042 -7.905 1.00 1.62 H new ATOM 0 HD21 LEU A 50 144.757 11.067 -7.171 1.00 1.36 H new ATOM 0 HD22 LEU A 50 146.182 12.094 -7.458 1.00 1.36 H new ATOM 0 HD23 LEU A 50 144.685 12.371 -8.379 1.00 1.36 H new ATOM 808 N PRO A 51 146.314 14.829 -11.378 1.00 1.14 N ATOM 809 CA PRO A 51 147.136 15.911 -11.974 1.00 1.28 C ATOM 810 C PRO A 51 148.328 16.246 -11.067 1.00 1.38 C ATOM 811 O PRO A 51 148.242 16.117 -9.858 1.00 1.84 O ATOM 812 CB PRO A 51 146.164 17.098 -12.073 1.00 1.52 C ATOM 813 CG PRO A 51 145.040 16.832 -11.052 1.00 1.55 C ATOM 814 CD PRO A 51 145.038 15.316 -10.788 1.00 1.23 C ATOM 0 HA PRO A 51 147.562 15.639 -12.940 1.00 1.28 H new ATOM 0 HB2 PRO A 51 146.674 18.036 -11.853 1.00 1.52 H new ATOM 0 HB3 PRO A 51 145.759 17.184 -13.081 1.00 1.52 H new ATOM 0 HG2 PRO A 51 145.215 17.386 -10.130 1.00 1.55 H new ATOM 0 HG3 PRO A 51 144.076 17.159 -11.442 1.00 1.55 H new ATOM 0 HD2 PRO A 51 144.987 15.100 -9.721 1.00 1.23 H new ATOM 0 HD3 PRO A 51 144.178 14.834 -11.252 1.00 1.23 H new ATOM 822 N GLU A 52 149.439 16.669 -11.654 1.00 1.38 N ATOM 823 CA GLU A 52 150.668 17.024 -10.878 1.00 1.56 C ATOM 824 C GLU A 52 150.306 17.862 -9.654 1.00 1.32 C ATOM 825 O GLU A 52 149.727 18.932 -9.757 1.00 1.84 O ATOM 826 CB GLU A 52 151.621 17.809 -11.781 1.00 2.19 C ATOM 827 CG GLU A 52 152.956 18.035 -11.064 1.00 2.58 C ATOM 828 CD GLU A 52 154.097 18.055 -12.088 1.00 3.08 C ATOM 829 OE1 GLU A 52 153.940 18.688 -13.121 1.00 3.60 O ATOM 830 OE2 GLU A 52 155.114 17.435 -11.818 1.00 3.47 O ATOM 0 H GLU A 52 149.537 16.782 -12.663 1.00 1.38 H new ATOM 0 HA GLU A 52 151.151 16.109 -10.537 1.00 1.56 H new ATOM 0 HB2 GLU A 52 151.786 17.264 -12.711 1.00 2.19 H new ATOM 0 HB3 GLU A 52 151.175 18.767 -12.048 1.00 2.19 H new ATOM 0 HG2 GLU A 52 152.930 18.977 -10.516 1.00 2.58 H new ATOM 0 HG3 GLU A 52 153.125 17.245 -10.332 1.00 2.58 H new ATOM 837 N GLY A 53 150.645 17.344 -8.507 1.00 1.29 N ATOM 838 CA GLY A 53 150.340 18.036 -7.215 1.00 1.17 C ATOM 839 C GLY A 53 149.596 17.082 -6.265 1.00 0.96 C ATOM 840 O GLY A 53 149.567 17.304 -5.066 1.00 1.34 O ATOM 0 H GLY A 53 151.130 16.453 -8.405 1.00 1.29 H new ATOM 0 HA2 GLY A 53 151.265 18.377 -6.749 1.00 1.17 H new ATOM 0 HA3 GLY A 53 149.732 18.921 -7.403 1.00 1.17 H new ATOM 844 N VAL A 54 148.994 16.030 -6.795 1.00 0.71 N ATOM 845 CA VAL A 54 148.246 15.054 -5.942 1.00 0.95 C ATOM 846 C VAL A 54 149.141 13.841 -5.660 1.00 0.82 C ATOM 847 O VAL A 54 149.251 12.933 -6.469 1.00 1.00 O ATOM 848 CB VAL A 54 146.973 14.597 -6.669 1.00 1.38 C ATOM 849 CG1 VAL A 54 146.028 13.925 -5.669 1.00 1.73 C ATOM 850 CG2 VAL A 54 146.271 15.806 -7.303 1.00 1.70 C ATOM 0 H VAL A 54 148.994 15.811 -7.791 1.00 0.71 H new ATOM 0 HA VAL A 54 147.968 15.531 -5.002 1.00 0.95 H new ATOM 0 HB VAL A 54 147.242 13.888 -7.452 1.00 1.38 H new ATOM 0 HG11 VAL A 54 145.124 13.600 -6.184 1.00 1.73 H new ATOM 0 HG12 VAL A 54 146.523 13.061 -5.225 1.00 1.73 H new ATOM 0 HG13 VAL A 54 145.764 14.635 -4.885 1.00 1.73 H new ATOM 0 HG21 VAL A 54 145.369 15.475 -7.817 1.00 1.70 H new ATOM 0 HG22 VAL A 54 146.003 16.521 -6.525 1.00 1.70 H new ATOM 0 HG23 VAL A 54 146.942 16.282 -8.018 1.00 1.70 H new ATOM 860 N LYS A 55 149.782 13.843 -4.516 1.00 0.72 N ATOM 861 CA LYS A 55 150.697 12.726 -4.120 1.00 0.68 C ATOM 862 C LYS A 55 149.879 11.519 -3.648 1.00 0.57 C ATOM 863 O LYS A 55 149.440 11.462 -2.507 1.00 0.54 O ATOM 864 CB LYS A 55 151.607 13.204 -2.976 1.00 0.79 C ATOM 865 CG LYS A 55 153.047 13.339 -3.466 1.00 1.13 C ATOM 866 CD LYS A 55 153.709 11.961 -3.514 1.00 1.66 C ATOM 867 CE LYS A 55 155.092 12.101 -4.151 1.00 2.24 C ATOM 868 NZ LYS A 55 155.955 13.002 -3.331 1.00 2.91 N ATOM 0 H LYS A 55 149.707 14.589 -3.825 1.00 0.72 H new ATOM 0 HA LYS A 55 151.300 12.432 -4.979 1.00 0.68 H new ATOM 0 HB2 LYS A 55 151.253 14.163 -2.597 1.00 0.79 H new ATOM 0 HB3 LYS A 55 151.562 12.498 -2.147 1.00 0.79 H new ATOM 0 HG2 LYS A 55 153.063 13.795 -4.456 1.00 1.13 H new ATOM 0 HG3 LYS A 55 153.606 13.998 -2.802 1.00 1.13 H new ATOM 0 HD2 LYS A 55 153.796 11.549 -2.509 1.00 1.66 H new ATOM 0 HD3 LYS A 55 153.096 11.268 -4.090 1.00 1.66 H new ATOM 0 HE2 LYS A 55 155.560 11.120 -4.239 1.00 2.24 H new ATOM 0 HE3 LYS A 55 154.995 12.500 -5.161 1.00 2.24 H new ATOM 0 HZ1 LYS A 55 156.949 12.879 -3.610 1.00 2.91 H new ATOM 0 HZ2 LYS A 55 155.672 13.990 -3.487 1.00 2.91 H new ATOM 0 HZ3 LYS A 55 155.846 12.765 -2.324 1.00 2.91 H new ATOM 882 N MET A 56 149.699 10.554 -4.518 1.00 0.57 N ATOM 883 CA MET A 56 148.940 9.322 -4.151 1.00 0.51 C ATOM 884 C MET A 56 149.926 8.275 -3.669 1.00 0.48 C ATOM 885 O MET A 56 150.600 7.626 -4.455 1.00 0.55 O ATOM 886 CB MET A 56 148.138 8.825 -5.367 1.00 0.60 C ATOM 887 CG MET A 56 147.561 7.416 -5.128 1.00 1.31 C ATOM 888 SD MET A 56 147.046 6.696 -6.704 1.00 1.82 S ATOM 889 CE MET A 56 146.385 5.147 -6.037 1.00 2.26 C ATOM 0 H MET A 56 150.050 10.570 -5.476 1.00 0.57 H new ATOM 0 HA MET A 56 148.230 9.531 -3.351 1.00 0.51 H new ATOM 0 HB2 MET A 56 147.326 9.521 -5.577 1.00 0.60 H new ATOM 0 HB3 MET A 56 148.781 8.811 -6.247 1.00 0.60 H new ATOM 0 HG2 MET A 56 148.310 6.781 -4.654 1.00 1.31 H new ATOM 0 HG3 MET A 56 146.712 7.471 -4.447 1.00 1.31 H new ATOM 0 HE1 MET A 56 146.235 4.436 -6.849 1.00 2.26 H new ATOM 0 HE2 MET A 56 147.089 4.731 -5.316 1.00 2.26 H new ATOM 0 HE3 MET A 56 145.433 5.340 -5.544 1.00 2.26 H new ATOM 899 N THR A 57 149.993 8.119 -2.373 1.00 0.43 N ATOM 900 CA THR A 57 150.912 7.121 -1.779 1.00 0.43 C ATOM 901 C THR A 57 150.114 5.879 -1.383 1.00 0.42 C ATOM 902 O THR A 57 148.995 5.976 -0.918 1.00 0.46 O ATOM 903 CB THR A 57 151.603 7.710 -0.543 1.00 0.44 C ATOM 904 OG1 THR A 57 151.747 9.121 -0.682 1.00 0.55 O ATOM 905 CG2 THR A 57 152.978 7.078 -0.377 1.00 0.56 C ATOM 0 H THR A 57 149.441 8.649 -1.699 1.00 0.43 H new ATOM 0 HA THR A 57 151.674 6.851 -2.510 1.00 0.43 H new ATOM 0 HB THR A 57 150.992 7.499 0.334 1.00 0.44 H new ATOM 0 HG1 THR A 57 152.686 9.369 -0.551 1.00 0.55 H new ATOM 0 HG21 THR A 57 153.468 7.498 0.502 1.00 0.56 H new ATOM 0 HG22 THR A 57 152.871 6.000 -0.253 1.00 0.56 H new ATOM 0 HG23 THR A 57 153.582 7.283 -1.261 1.00 0.56 H new ATOM 913 N LYS A 58 150.694 4.718 -1.573 1.00 0.45 N ATOM 914 CA LYS A 58 150.014 3.422 -1.219 1.00 0.46 C ATOM 915 C LYS A 58 150.884 2.712 -0.187 1.00 0.45 C ATOM 916 O LYS A 58 151.998 2.315 -0.492 1.00 0.51 O ATOM 917 CB LYS A 58 149.846 2.514 -2.461 1.00 0.53 C ATOM 918 CG LYS A 58 150.623 3.064 -3.669 1.00 1.25 C ATOM 919 CD LYS A 58 150.551 2.061 -4.820 1.00 1.47 C ATOM 920 CE LYS A 58 149.203 2.211 -5.537 1.00 1.82 C ATOM 921 NZ LYS A 58 149.375 1.992 -7.002 1.00 2.48 N ATOM 0 H LYS A 58 151.629 4.608 -1.966 1.00 0.45 H new ATOM 0 HA LYS A 58 149.019 3.631 -0.826 1.00 0.46 H new ATOM 0 HB2 LYS A 58 150.197 1.509 -2.228 1.00 0.53 H new ATOM 0 HB3 LYS A 58 148.789 2.432 -2.713 1.00 0.53 H new ATOM 0 HG2 LYS A 58 150.204 4.021 -3.980 1.00 1.25 H new ATOM 0 HG3 LYS A 58 151.662 3.245 -3.395 1.00 1.25 H new ATOM 0 HD2 LYS A 58 151.369 2.233 -5.519 1.00 1.47 H new ATOM 0 HD3 LYS A 58 150.664 1.045 -4.441 1.00 1.47 H new ATOM 0 HE2 LYS A 58 148.487 1.494 -5.136 1.00 1.82 H new ATOM 0 HE3 LYS A 58 148.794 3.205 -5.355 1.00 1.82 H new ATOM 0 HZ1 LYS A 58 148.457 2.096 -7.479 1.00 2.48 H new ATOM 0 HZ2 LYS A 58 150.043 2.693 -7.382 1.00 2.48 H new ATOM 0 HZ3 LYS A 58 149.745 1.035 -7.169 1.00 2.48 H new ATOM 935 N TYR A 59 150.396 2.566 1.031 1.00 0.40 N ATOM 936 CA TYR A 59 151.217 1.895 2.088 1.00 0.40 C ATOM 937 C TYR A 59 150.557 0.622 2.606 1.00 0.41 C ATOM 938 O TYR A 59 149.365 0.396 2.437 1.00 0.46 O ATOM 939 CB TYR A 59 151.481 2.860 3.243 1.00 0.39 C ATOM 940 CG TYR A 59 152.803 3.547 3.012 1.00 0.40 C ATOM 941 CD1 TYR A 59 153.031 4.283 1.846 1.00 1.28 C ATOM 942 CD2 TYR A 59 153.817 3.412 3.960 1.00 1.26 C ATOM 943 CE1 TYR A 59 154.277 4.889 1.636 1.00 1.28 C ATOM 944 CE2 TYR A 59 155.061 4.019 3.751 1.00 1.28 C ATOM 945 CZ TYR A 59 155.291 4.756 2.590 1.00 0.44 C ATOM 946 OH TYR A 59 156.519 5.353 2.386 1.00 0.47 O ATOM 0 H TYR A 59 149.473 2.881 1.331 1.00 0.40 H new ATOM 0 HA TYR A 59 152.164 1.608 1.631 1.00 0.40 H new ATOM 0 HB2 TYR A 59 150.680 3.596 3.310 1.00 0.39 H new ATOM 0 HB3 TYR A 59 151.497 2.320 4.190 1.00 0.39 H new ATOM 0 HD1 TYR A 59 152.249 4.385 1.108 1.00 1.28 H new ATOM 0 HD2 TYR A 59 153.642 2.838 4.858 1.00 1.26 H new ATOM 0 HE1 TYR A 59 154.454 5.459 0.736 1.00 1.28 H new ATOM 0 HE2 TYR A 59 155.843 3.916 4.489 1.00 1.28 H new ATOM 0 HH TYR A 59 156.403 6.165 1.849 1.00 0.47 H new ATOM 956 N HIS A 60 151.362 -0.209 3.230 1.00 0.41 N ATOM 957 CA HIS A 60 150.888 -1.490 3.781 1.00 0.43 C ATOM 958 C HIS A 60 150.620 -1.356 5.273 1.00 0.53 C ATOM 959 O HIS A 60 151.271 -0.605 5.978 1.00 0.74 O ATOM 960 CB HIS A 60 151.938 -2.562 3.541 1.00 0.43 C ATOM 961 CG HIS A 60 151.302 -3.889 3.791 1.00 0.51 C ATOM 962 ND1 HIS A 60 151.210 -4.423 5.064 1.00 1.50 N ATOM 963 CD2 HIS A 60 150.655 -4.763 2.962 1.00 0.95 C ATOM 964 CE1 HIS A 60 150.522 -5.570 4.970 1.00 1.39 C ATOM 965 NE2 HIS A 60 150.153 -5.823 3.711 1.00 0.76 N ATOM 0 H HIS A 60 152.356 -0.033 3.377 1.00 0.41 H new ATOM 0 HA HIS A 60 149.960 -1.770 3.283 1.00 0.43 H new ATOM 0 HB2 HIS A 60 152.315 -2.506 2.520 1.00 0.43 H new ATOM 0 HB3 HIS A 60 152.791 -2.416 4.204 1.00 0.43 H new ATOM 0 HD1 HIS A 60 151.595 -4.018 5.917 1.00 1.50 H new ATOM 0 HD2 HIS A 60 150.550 -4.649 1.893 1.00 0.95 H new ATOM 0 HE1 HIS A 60 150.294 -6.211 5.809 1.00 1.39 H new ATOM 973 N VAL A 61 149.633 -2.075 5.722 1.00 0.57 N ATOM 974 CA VAL A 61 149.207 -2.039 7.159 1.00 0.71 C ATOM 975 C VAL A 61 149.848 -3.197 7.950 1.00 0.58 C ATOM 976 O VAL A 61 150.190 -4.221 7.386 1.00 0.65 O ATOM 977 CB VAL A 61 147.664 -2.152 7.207 1.00 0.98 C ATOM 978 CG1 VAL A 61 147.061 -1.211 6.163 1.00 1.44 C ATOM 979 CG2 VAL A 61 147.215 -3.594 6.897 1.00 1.01 C ATOM 0 H VAL A 61 149.084 -2.707 5.140 1.00 0.57 H new ATOM 0 HA VAL A 61 149.534 -1.105 7.616 1.00 0.71 H new ATOM 0 HB VAL A 61 147.324 -1.882 8.207 1.00 0.98 H new ATOM 0 HG11 VAL A 61 145.974 -1.285 6.191 1.00 1.44 H new ATOM 0 HG12 VAL A 61 147.360 -0.186 6.381 1.00 1.44 H new ATOM 0 HG13 VAL A 61 147.418 -1.490 5.172 1.00 1.44 H new ATOM 0 HG21 VAL A 61 146.127 -3.653 6.936 1.00 1.01 H new ATOM 0 HG22 VAL A 61 147.558 -3.876 5.902 1.00 1.01 H new ATOM 0 HG23 VAL A 61 147.641 -4.274 7.634 1.00 1.01 H new ATOM 989 N ASN A 62 149.966 -3.045 9.254 1.00 0.77 N ATOM 990 CA ASN A 62 150.537 -4.136 10.106 1.00 0.87 C ATOM 991 C ASN A 62 149.560 -4.432 11.256 1.00 0.92 C ATOM 992 O ASN A 62 149.938 -4.548 12.416 1.00 1.31 O ATOM 993 CB ASN A 62 151.915 -3.736 10.652 1.00 1.22 C ATOM 994 CG ASN A 62 151.875 -2.317 11.213 1.00 1.41 C ATOM 995 OD1 ASN A 62 151.552 -1.381 10.508 1.00 1.89 O ATOM 996 ND2 ASN A 62 152.198 -2.119 12.461 1.00 1.93 N ATOM 0 H ASN A 62 149.688 -2.206 9.763 1.00 0.77 H new ATOM 0 HA ASN A 62 150.671 -5.034 9.503 1.00 0.87 H new ATOM 0 HB2 ASN A 62 152.220 -4.433 11.432 1.00 1.22 H new ATOM 0 HB3 ASN A 62 152.660 -3.799 9.859 1.00 1.22 H new ATOM 0 HD21 ASN A 62 152.180 -1.176 12.849 1.00 1.93 H new ATOM 0 HD22 ASN A 62 152.468 -2.907 13.049 1.00 1.93 H new ATOM 1003 N PHE A 63 148.304 -4.590 10.910 1.00 0.73 N ATOM 1004 CA PHE A 63 147.250 -4.920 11.908 1.00 0.85 C ATOM 1005 C PHE A 63 146.315 -5.924 11.239 1.00 0.80 C ATOM 1006 O PHE A 63 145.119 -5.715 11.109 1.00 0.94 O ATOM 1007 CB PHE A 63 146.528 -3.631 12.405 1.00 1.15 C ATOM 1008 CG PHE A 63 145.480 -3.086 11.431 1.00 0.71 C ATOM 1009 CD1 PHE A 63 145.773 -2.914 10.068 1.00 1.42 C ATOM 1010 CD2 PHE A 63 144.210 -2.740 11.916 1.00 1.37 C ATOM 1011 CE1 PHE A 63 144.795 -2.403 9.205 1.00 1.80 C ATOM 1012 CE2 PHE A 63 143.238 -2.229 11.051 1.00 1.60 C ATOM 1013 CZ PHE A 63 143.531 -2.062 9.694 1.00 1.57 C ATOM 0 H PHE A 63 147.963 -4.501 9.953 1.00 0.73 H new ATOM 0 HA PHE A 63 147.670 -5.366 12.810 1.00 0.85 H new ATOM 0 HB2 PHE A 63 146.046 -3.843 13.359 1.00 1.15 H new ATOM 0 HB3 PHE A 63 147.274 -2.858 12.589 1.00 1.15 H new ATOM 0 HD1 PHE A 63 146.749 -3.175 9.687 1.00 1.42 H new ATOM 0 HD2 PHE A 63 143.982 -2.869 12.964 1.00 1.37 H new ATOM 0 HE1 PHE A 63 145.019 -2.272 8.157 1.00 1.80 H new ATOM 0 HE2 PHE A 63 142.262 -1.964 11.430 1.00 1.60 H new ATOM 0 HZ PHE A 63 142.781 -1.670 9.024 1.00 1.57 H new ATOM 1023 N MET A 64 146.890 -7.029 10.800 1.00 0.76 N ATOM 1024 CA MET A 64 146.101 -8.080 10.112 1.00 0.85 C ATOM 1025 C MET A 64 146.752 -9.452 10.338 1.00 1.05 C ATOM 1026 O MET A 64 147.049 -10.193 9.410 1.00 1.50 O ATOM 1027 CB MET A 64 146.014 -7.746 8.610 1.00 0.96 C ATOM 1028 CG MET A 64 145.208 -8.819 7.888 1.00 1.78 C ATOM 1029 SD MET A 64 143.524 -8.217 7.593 1.00 2.82 S ATOM 1030 CE MET A 64 142.750 -9.837 7.776 1.00 3.48 C ATOM 0 H MET A 64 147.884 -7.237 10.897 1.00 0.76 H new ATOM 0 HA MET A 64 145.091 -8.116 10.520 1.00 0.85 H new ATOM 0 HB2 MET A 64 145.546 -6.772 8.471 1.00 0.96 H new ATOM 0 HB3 MET A 64 147.015 -7.682 8.184 1.00 0.96 H new ATOM 0 HG2 MET A 64 145.686 -9.072 6.942 1.00 1.78 H new ATOM 0 HG3 MET A 64 145.180 -9.731 8.485 1.00 1.78 H new ATOM 0 HE1 MET A 64 141.734 -9.802 7.382 1.00 3.48 H new ATOM 0 HE2 MET A 64 143.327 -10.580 7.226 1.00 3.48 H new ATOM 0 HE3 MET A 64 142.720 -10.109 8.831 1.00 3.48 H new ATOM 1040 N GLY A 65 146.953 -9.786 11.581 1.00 1.29 N ATOM 1041 CA GLY A 65 147.553 -11.114 11.934 1.00 1.65 C ATOM 1042 C GLY A 65 148.506 -10.946 13.108 1.00 1.51 C ATOM 1043 O GLY A 65 148.473 -11.708 14.062 1.00 2.39 O ATOM 0 H GLY A 65 146.727 -9.193 12.380 1.00 1.29 H new ATOM 0 HA2 GLY A 65 146.766 -11.824 12.190 1.00 1.65 H new ATOM 0 HA3 GLY A 65 148.085 -11.524 11.076 1.00 1.65 H new ATOM 1047 N GLY A 66 149.342 -9.943 13.031 1.00 1.04 N ATOM 1048 CA GLY A 66 150.324 -9.664 14.123 1.00 1.69 C ATOM 1049 C GLY A 66 151.658 -10.366 13.845 1.00 1.40 C ATOM 1050 O GLY A 66 152.712 -9.805 14.097 1.00 1.80 O ATOM 0 H GLY A 66 149.387 -9.295 12.245 1.00 1.04 H new ATOM 0 HA2 GLY A 66 150.484 -8.589 14.209 1.00 1.69 H new ATOM 0 HA3 GLY A 66 149.921 -10.004 15.077 1.00 1.69 H new ATOM 1054 N ASP A 67 151.621 -11.587 13.343 1.00 0.84 N ATOM 1055 CA ASP A 67 152.893 -12.339 13.071 1.00 0.77 C ATOM 1056 C ASP A 67 153.424 -12.017 11.666 1.00 0.70 C ATOM 1057 O ASP A 67 154.338 -11.220 11.521 1.00 0.77 O ATOM 1058 CB ASP A 67 152.632 -13.849 13.196 1.00 0.72 C ATOM 1059 CG ASP A 67 153.321 -14.391 14.451 1.00 1.37 C ATOM 1060 OD1 ASP A 67 153.140 -13.801 15.504 1.00 2.03 O ATOM 1061 OD2 ASP A 67 154.016 -15.387 14.336 1.00 1.99 O ATOM 0 H ASP A 67 150.765 -12.091 13.112 1.00 0.84 H new ATOM 0 HA ASP A 67 153.643 -12.035 13.801 1.00 0.77 H new ATOM 0 HB2 ASP A 67 151.560 -14.039 13.247 1.00 0.72 H new ATOM 0 HB3 ASP A 67 153.006 -14.367 12.312 1.00 0.72 H new ATOM 1066 N LEU A 68 152.872 -12.643 10.641 1.00 0.59 N ATOM 1067 CA LEU A 68 153.359 -12.388 9.244 1.00 0.56 C ATOM 1068 C LEU A 68 152.778 -11.082 8.703 1.00 0.48 C ATOM 1069 O LEU A 68 153.347 -10.486 7.812 1.00 0.47 O ATOM 1070 CB LEU A 68 153.082 -13.619 8.333 1.00 0.65 C ATOM 1071 CG LEU A 68 151.718 -13.620 7.593 1.00 0.61 C ATOM 1072 CD1 LEU A 68 150.552 -13.321 8.542 1.00 1.24 C ATOM 1073 CD2 LEU A 68 151.699 -12.631 6.413 1.00 1.03 C ATOM 0 H LEU A 68 152.109 -13.316 10.716 1.00 0.59 H new ATOM 0 HA LEU A 68 154.441 -12.258 9.255 1.00 0.56 H new ATOM 0 HB2 LEU A 68 153.877 -13.683 7.590 1.00 0.65 H new ATOM 0 HB3 LEU A 68 153.143 -14.520 8.944 1.00 0.65 H new ATOM 0 HG LEU A 68 151.591 -14.627 7.197 1.00 0.61 H new ATOM 0 HD11 LEU A 68 149.616 -13.331 7.983 1.00 1.24 H new ATOM 0 HD12 LEU A 68 150.516 -14.079 9.324 1.00 1.24 H new ATOM 0 HD13 LEU A 68 150.694 -12.339 8.994 1.00 1.24 H new ATOM 0 HD21 LEU A 68 150.725 -12.666 5.925 1.00 1.03 H new ATOM 0 HD22 LEU A 68 151.885 -11.622 6.781 1.00 1.03 H new ATOM 0 HD23 LEU A 68 152.474 -12.904 5.697 1.00 1.03 H new ATOM 1085 N GLY A 69 151.677 -10.620 9.253 1.00 0.49 N ATOM 1086 CA GLY A 69 151.072 -9.328 8.790 1.00 0.48 C ATOM 1087 C GLY A 69 152.103 -8.209 8.982 1.00 0.42 C ATOM 1088 O GLY A 69 152.227 -7.315 8.161 1.00 0.43 O ATOM 0 H GLY A 69 151.170 -11.085 10.006 1.00 0.49 H new ATOM 0 HA2 GLY A 69 150.783 -9.400 7.742 1.00 0.48 H new ATOM 0 HA3 GLY A 69 150.167 -9.110 9.356 1.00 0.48 H new ATOM 1092 N LYS A 70 152.852 -8.284 10.065 1.00 0.44 N ATOM 1093 CA LYS A 70 153.907 -7.262 10.359 1.00 0.44 C ATOM 1094 C LYS A 70 155.052 -7.431 9.351 1.00 0.39 C ATOM 1095 O LYS A 70 155.560 -6.459 8.794 1.00 0.40 O ATOM 1096 CB LYS A 70 154.427 -7.479 11.795 1.00 0.53 C ATOM 1097 CG LYS A 70 154.224 -6.210 12.626 1.00 1.01 C ATOM 1098 CD LYS A 70 155.444 -5.298 12.488 1.00 1.74 C ATOM 1099 CE LYS A 70 154.996 -3.836 12.515 1.00 2.29 C ATOM 1100 NZ LYS A 70 154.894 -3.378 13.928 1.00 3.07 N ATOM 0 H LYS A 70 152.772 -9.022 10.764 1.00 0.44 H new ATOM 0 HA LYS A 70 153.498 -6.255 10.275 1.00 0.44 H new ATOM 0 HB2 LYS A 70 153.901 -8.314 12.258 1.00 0.53 H new ATOM 0 HB3 LYS A 70 155.485 -7.742 11.771 1.00 0.53 H new ATOM 0 HG2 LYS A 70 153.328 -5.686 12.293 1.00 1.01 H new ATOM 0 HG3 LYS A 70 154.070 -6.471 13.673 1.00 1.01 H new ATOM 0 HD2 LYS A 70 156.147 -5.489 13.299 1.00 1.74 H new ATOM 0 HD3 LYS A 70 155.967 -5.512 11.556 1.00 1.74 H new ATOM 0 HE2 LYS A 70 155.708 -3.216 11.970 1.00 2.29 H new ATOM 0 HE3 LYS A 70 154.033 -3.730 12.016 1.00 2.29 H new ATOM 0 HZ1 LYS A 70 154.589 -2.384 13.950 1.00 3.07 H new ATOM 0 HZ2 LYS A 70 154.199 -3.964 14.434 1.00 3.07 H new ATOM 0 HZ3 LYS A 70 155.822 -3.466 14.389 1.00 3.07 H new ATOM 1114 N ASP A 71 155.444 -8.663 9.101 1.00 0.38 N ATOM 1115 CA ASP A 71 156.536 -8.932 8.127 1.00 0.39 C ATOM 1116 C ASP A 71 156.015 -8.667 6.715 1.00 0.34 C ATOM 1117 O ASP A 71 156.778 -8.303 5.833 1.00 0.40 O ATOM 1118 CB ASP A 71 156.989 -10.382 8.255 1.00 0.44 C ATOM 1119 CG ASP A 71 158.428 -10.506 7.756 1.00 0.97 C ATOM 1120 OD1 ASP A 71 159.303 -9.938 8.389 1.00 1.63 O ATOM 1121 OD2 ASP A 71 158.631 -11.162 6.748 1.00 1.67 O ATOM 0 H ASP A 71 155.046 -9.494 9.538 1.00 0.38 H new ATOM 0 HA ASP A 71 157.386 -8.280 8.329 1.00 0.39 H new ATOM 0 HB2 ASP A 71 156.923 -10.706 9.294 1.00 0.44 H new ATOM 0 HB3 ASP A 71 156.334 -11.033 7.676 1.00 0.44 H new ATOM 1126 N LEU A 72 154.716 -8.823 6.502 1.00 0.30 N ATOM 1127 CA LEU A 72 154.134 -8.552 5.153 1.00 0.32 C ATOM 1128 C LEU A 72 154.201 -7.051 4.909 1.00 0.29 C ATOM 1129 O LEU A 72 154.379 -6.603 3.787 1.00 0.34 O ATOM 1130 CB LEU A 72 152.693 -9.036 5.044 1.00 0.38 C ATOM 1131 CG LEU A 72 152.360 -9.251 3.552 1.00 0.56 C ATOM 1132 CD1 LEU A 72 151.966 -10.710 3.296 1.00 1.21 C ATOM 1133 CD2 LEU A 72 151.211 -8.331 3.147 1.00 1.22 C ATOM 0 H LEU A 72 154.045 -9.126 7.208 1.00 0.30 H new ATOM 0 HA LEU A 72 154.707 -9.097 4.402 1.00 0.32 H new ATOM 0 HB2 LEU A 72 152.562 -9.965 5.599 1.00 0.38 H new ATOM 0 HB3 LEU A 72 152.014 -8.305 5.482 1.00 0.38 H new ATOM 0 HG LEU A 72 153.243 -9.017 2.958 1.00 0.56 H new ATOM 0 HD11 LEU A 72 151.734 -10.844 2.239 1.00 1.21 H new ATOM 0 HD12 LEU A 72 152.793 -11.364 3.572 1.00 1.21 H new ATOM 0 HD13 LEU A 72 151.090 -10.961 3.894 1.00 1.21 H new ATOM 0 HD21 LEU A 72 150.977 -8.484 2.093 1.00 1.22 H new ATOM 0 HD22 LEU A 72 150.332 -8.559 3.751 1.00 1.22 H new ATOM 0 HD23 LEU A 72 151.502 -7.293 3.307 1.00 1.22 H new ATOM 1145 N THR A 73 154.141 -6.266 5.969 1.00 0.28 N ATOM 1146 CA THR A 73 154.301 -4.791 5.824 1.00 0.30 C ATOM 1147 C THR A 73 155.750 -4.597 5.330 1.00 0.29 C ATOM 1148 O THR A 73 156.024 -3.852 4.381 1.00 0.31 O ATOM 1149 CB THR A 73 154.045 -4.126 7.196 1.00 0.36 C ATOM 1150 OG1 THR A 73 152.670 -3.788 7.294 1.00 0.43 O ATOM 1151 CG2 THR A 73 154.884 -2.856 7.369 1.00 0.37 C ATOM 0 H THR A 73 153.988 -6.592 6.923 1.00 0.28 H new ATOM 0 HA THR A 73 153.600 -4.335 5.125 1.00 0.30 H new ATOM 0 HB THR A 73 154.328 -4.831 7.977 1.00 0.36 H new ATOM 0 HG1 THR A 73 152.158 -4.576 7.572 1.00 0.43 H new ATOM 0 HG21 THR A 73 154.679 -2.415 8.344 1.00 0.37 H new ATOM 0 HG22 THR A 73 155.942 -3.107 7.299 1.00 0.37 H new ATOM 0 HG23 THR A 73 154.628 -2.142 6.586 1.00 0.37 H new ATOM 1159 N GLN A 74 156.669 -5.341 5.934 1.00 0.31 N ATOM 1160 CA GLN A 74 158.094 -5.289 5.479 1.00 0.37 C ATOM 1161 C GLN A 74 158.133 -5.742 4.012 1.00 0.38 C ATOM 1162 O GLN A 74 159.032 -5.383 3.275 1.00 0.47 O ATOM 1163 CB GLN A 74 158.980 -6.207 6.329 1.00 0.40 C ATOM 1164 CG GLN A 74 160.440 -5.746 6.189 1.00 0.71 C ATOM 1165 CD GLN A 74 161.414 -6.876 6.567 1.00 0.66 C ATOM 1166 OE1 GLN A 74 161.087 -7.751 7.350 1.00 1.54 O ATOM 1167 NE2 GLN A 74 162.618 -6.886 6.044 1.00 0.57 N ATOM 0 H GLN A 74 156.486 -5.972 6.714 1.00 0.31 H new ATOM 0 HA GLN A 74 158.475 -4.273 5.585 1.00 0.37 H new ATOM 0 HB2 GLN A 74 158.670 -6.171 7.373 1.00 0.40 H new ATOM 0 HB3 GLN A 74 158.877 -7.242 6.002 1.00 0.40 H new ATOM 0 HG2 GLN A 74 160.628 -5.427 5.164 1.00 0.71 H new ATOM 0 HG3 GLN A 74 160.615 -4.881 6.829 1.00 0.71 H new ATOM 0 HE21 GLN A 74 162.895 -6.155 5.388 1.00 0.57 H new ATOM 0 HE22 GLN A 74 163.276 -7.624 6.293 1.00 0.57 H new ATOM 1176 N ALA A 75 157.130 -6.506 3.585 1.00 0.34 N ATOM 1177 CA ALA A 75 157.054 -6.961 2.169 1.00 0.42 C ATOM 1178 C ALA A 75 156.889 -5.729 1.287 1.00 0.39 C ATOM 1179 O ALA A 75 157.601 -5.563 0.314 1.00 0.46 O ATOM 1180 CB ALA A 75 155.852 -7.882 1.975 1.00 0.49 C ATOM 0 H ALA A 75 156.363 -6.827 4.176 1.00 0.34 H new ATOM 0 HA ALA A 75 157.959 -7.508 1.906 1.00 0.42 H new ATOM 0 HB1 ALA A 75 155.807 -8.208 0.936 1.00 0.49 H new ATOM 0 HB2 ALA A 75 155.952 -8.752 2.624 1.00 0.49 H new ATOM 0 HB3 ALA A 75 154.938 -7.345 2.226 1.00 0.49 H new ATOM 1186 N TRP A 76 155.956 -4.853 1.638 1.00 0.33 N ATOM 1187 CA TRP A 76 155.733 -3.606 0.826 1.00 0.33 C ATOM 1188 C TRP A 76 157.042 -2.830 0.716 1.00 0.33 C ATOM 1189 O TRP A 76 157.311 -2.212 -0.303 1.00 0.36 O ATOM 1190 CB TRP A 76 154.684 -2.707 1.485 1.00 0.34 C ATOM 1191 CG TRP A 76 154.187 -1.708 0.490 1.00 0.39 C ATOM 1192 CD1 TRP A 76 154.309 -0.366 0.611 1.00 0.48 C ATOM 1193 CD2 TRP A 76 153.496 -1.944 -0.768 1.00 0.50 C ATOM 1194 NE1 TRP A 76 153.735 0.237 -0.493 1.00 0.55 N ATOM 1195 CE2 TRP A 76 153.220 -0.695 -1.372 1.00 0.57 C ATOM 1196 CE3 TRP A 76 153.087 -3.108 -1.437 1.00 0.63 C ATOM 1197 CZ2 TRP A 76 152.558 -0.605 -2.597 1.00 0.73 C ATOM 1198 CZ3 TRP A 76 152.420 -3.023 -2.671 1.00 0.82 C ATOM 1199 CH2 TRP A 76 152.157 -1.773 -3.249 1.00 0.85 C ATOM 0 H TRP A 76 155.345 -4.953 2.449 1.00 0.33 H new ATOM 0 HA TRP A 76 155.380 -3.900 -0.162 1.00 0.33 H new ATOM 0 HB2 TRP A 76 153.855 -3.309 1.856 1.00 0.34 H new ATOM 0 HB3 TRP A 76 155.117 -2.195 2.345 1.00 0.34 H new ATOM 0 HD1 TRP A 76 154.778 0.150 1.436 1.00 0.48 H new ATOM 0 HE1 TRP A 76 153.697 1.246 -0.640 1.00 0.55 H new ATOM 0 HE3 TRP A 76 153.286 -4.076 -1.001 1.00 0.63 H new ATOM 0 HZ2 TRP A 76 152.357 0.360 -3.037 1.00 0.73 H new ATOM 0 HZ3 TRP A 76 152.108 -3.925 -3.177 1.00 0.82 H new ATOM 0 HH2 TRP A 76 151.645 -1.713 -4.198 1.00 0.85 H new ATOM 1210 N ALA A 77 157.854 -2.859 1.758 1.00 0.32 N ATOM 1211 CA ALA A 77 159.156 -2.116 1.716 1.00 0.35 C ATOM 1212 C ALA A 77 160.207 -2.914 0.925 1.00 0.37 C ATOM 1213 O ALA A 77 160.862 -2.378 0.046 1.00 0.51 O ATOM 1214 CB ALA A 77 159.658 -1.882 3.141 1.00 0.37 C ATOM 0 H ALA A 77 157.669 -3.362 2.626 1.00 0.32 H new ATOM 0 HA ALA A 77 158.997 -1.159 1.220 1.00 0.35 H new ATOM 0 HB1 ALA A 77 160.604 -1.342 3.109 1.00 0.37 H new ATOM 0 HB2 ALA A 77 158.924 -1.296 3.694 1.00 0.37 H new ATOM 0 HB3 ALA A 77 159.804 -2.841 3.637 1.00 0.37 H new ATOM 1220 N VAL A 78 160.378 -4.178 1.253 1.00 0.30 N ATOM 1221 CA VAL A 78 161.399 -5.035 0.559 1.00 0.32 C ATOM 1222 C VAL A 78 161.035 -5.216 -0.919 1.00 0.33 C ATOM 1223 O VAL A 78 161.910 -5.428 -1.744 1.00 0.36 O ATOM 1224 CB VAL A 78 161.485 -6.403 1.229 1.00 0.33 C ATOM 1225 CG1 VAL A 78 162.718 -7.129 0.704 1.00 0.83 C ATOM 1226 CG2 VAL A 78 161.595 -6.247 2.757 1.00 0.68 C ATOM 0 H VAL A 78 159.847 -4.657 1.980 1.00 0.30 H new ATOM 0 HA VAL A 78 162.365 -4.536 0.630 1.00 0.32 H new ATOM 0 HB VAL A 78 160.584 -6.973 1.001 1.00 0.33 H new ATOM 0 HG11 VAL A 78 162.791 -8.109 1.175 1.00 0.83 H new ATOM 0 HG12 VAL A 78 162.636 -7.251 -0.376 1.00 0.83 H new ATOM 0 HG13 VAL A 78 163.610 -6.547 0.937 1.00 0.83 H new ATOM 0 HG21 VAL A 78 161.655 -7.232 3.220 1.00 0.68 H new ATOM 0 HG22 VAL A 78 162.491 -5.676 3.001 1.00 0.68 H new ATOM 0 HG23 VAL A 78 160.717 -5.723 3.133 1.00 0.68 H new ATOM 1236 N ALA A 79 159.760 -5.130 -1.261 1.00 0.32 N ATOM 1237 CA ALA A 79 159.350 -5.292 -2.695 1.00 0.34 C ATOM 1238 C ALA A 79 159.536 -3.962 -3.408 1.00 0.37 C ATOM 1239 O ALA A 79 160.203 -3.892 -4.426 1.00 0.39 O ATOM 1240 CB ALA A 79 157.887 -5.732 -2.802 1.00 0.36 C ATOM 0 H ALA A 79 158.995 -4.956 -0.609 1.00 0.32 H new ATOM 0 HA ALA A 79 159.969 -6.061 -3.156 1.00 0.34 H new ATOM 0 HB1 ALA A 79 157.616 -5.842 -3.852 1.00 0.36 H new ATOM 0 HB2 ALA A 79 157.756 -6.686 -2.292 1.00 0.36 H new ATOM 0 HB3 ALA A 79 157.247 -4.982 -2.339 1.00 0.36 H new ATOM 1246 N MET A 80 158.971 -2.900 -2.864 1.00 0.39 N ATOM 1247 CA MET A 80 159.129 -1.545 -3.484 1.00 0.43 C ATOM 1248 C MET A 80 160.626 -1.249 -3.648 1.00 0.42 C ATOM 1249 O MET A 80 161.026 -0.490 -4.515 1.00 0.46 O ATOM 1250 CB MET A 80 158.491 -0.487 -2.581 1.00 0.47 C ATOM 1251 CG MET A 80 158.206 0.771 -3.403 1.00 0.84 C ATOM 1252 SD MET A 80 156.902 1.740 -2.609 1.00 1.31 S ATOM 1253 CE MET A 80 156.325 2.585 -4.098 1.00 1.51 C ATOM 0 H MET A 80 158.407 -2.919 -2.015 1.00 0.39 H new ATOM 0 HA MET A 80 158.638 -1.523 -4.457 1.00 0.43 H new ATOM 0 HB2 MET A 80 157.567 -0.870 -2.149 1.00 0.47 H new ATOM 0 HB3 MET A 80 159.157 -0.250 -1.751 1.00 0.47 H new ATOM 0 HG2 MET A 80 159.112 1.370 -3.494 1.00 0.84 H new ATOM 0 HG3 MET A 80 157.903 0.495 -4.413 1.00 0.84 H new ATOM 0 HE1 MET A 80 155.502 3.252 -3.842 1.00 1.51 H new ATOM 0 HE2 MET A 80 157.142 3.165 -4.527 1.00 1.51 H new ATOM 0 HE3 MET A 80 155.982 1.848 -4.825 1.00 1.51 H new ATOM 1263 N ALA A 81 161.445 -1.865 -2.815 1.00 0.39 N ATOM 1264 CA ALA A 81 162.920 -1.668 -2.888 1.00 0.40 C ATOM 1265 C ALA A 81 163.462 -2.303 -4.170 1.00 0.40 C ATOM 1266 O ALA A 81 164.246 -1.697 -4.883 1.00 0.45 O ATOM 1267 CB ALA A 81 163.567 -2.347 -1.683 1.00 0.40 C ATOM 0 H ALA A 81 161.139 -2.503 -2.080 1.00 0.39 H new ATOM 0 HA ALA A 81 163.148 -0.602 -2.888 1.00 0.40 H new ATOM 0 HB1 ALA A 81 164.648 -2.210 -1.725 1.00 0.40 H new ATOM 0 HB2 ALA A 81 163.180 -1.904 -0.765 1.00 0.40 H new ATOM 0 HB3 ALA A 81 163.336 -3.412 -1.698 1.00 0.40 H new ATOM 1273 N LEU A 82 163.056 -3.525 -4.452 1.00 0.38 N ATOM 1274 CA LEU A 82 163.544 -4.238 -5.677 1.00 0.43 C ATOM 1275 C LEU A 82 162.504 -4.168 -6.809 1.00 0.45 C ATOM 1276 O LEU A 82 162.676 -4.807 -7.835 1.00 0.50 O ATOM 1277 CB LEU A 82 163.805 -5.713 -5.339 1.00 0.44 C ATOM 1278 CG LEU A 82 164.664 -5.836 -4.071 1.00 0.41 C ATOM 1279 CD1 LEU A 82 164.891 -7.317 -3.763 1.00 0.43 C ATOM 1280 CD2 LEU A 82 166.018 -5.140 -4.285 1.00 0.51 C ATOM 0 H LEU A 82 162.403 -4.060 -3.879 1.00 0.38 H new ATOM 0 HA LEU A 82 164.462 -3.753 -6.010 1.00 0.43 H new ATOM 0 HB2 LEU A 82 162.857 -6.231 -5.194 1.00 0.44 H new ATOM 0 HB3 LEU A 82 164.309 -6.199 -6.174 1.00 0.44 H new ATOM 0 HG LEU A 82 164.150 -5.360 -3.236 1.00 0.41 H new ATOM 0 HD11 LEU A 82 165.500 -7.412 -2.864 1.00 0.43 H new ATOM 0 HD12 LEU A 82 163.930 -7.807 -3.604 1.00 0.43 H new ATOM 0 HD13 LEU A 82 165.405 -7.788 -4.601 1.00 0.43 H new ATOM 0 HD21 LEU A 82 166.621 -5.232 -3.382 1.00 0.51 H new ATOM 0 HD22 LEU A 82 166.540 -5.609 -5.119 1.00 0.51 H new ATOM 0 HD23 LEU A 82 165.854 -4.085 -4.506 1.00 0.51 H new ATOM 1292 N GLY A 83 161.428 -3.419 -6.632 1.00 0.44 N ATOM 1293 CA GLY A 83 160.373 -3.326 -7.691 1.00 0.50 C ATOM 1294 C GLY A 83 159.811 -4.724 -7.976 1.00 0.48 C ATOM 1295 O GLY A 83 159.243 -4.960 -9.030 1.00 0.51 O ATOM 0 H GLY A 83 161.242 -2.869 -5.794 1.00 0.44 H new ATOM 0 HA2 GLY A 83 159.574 -2.660 -7.366 1.00 0.50 H new ATOM 0 HA3 GLY A 83 160.793 -2.899 -8.601 1.00 0.50 H new ATOM 1299 N VAL A 84 159.969 -5.646 -7.041 1.00 0.43 N ATOM 1300 CA VAL A 84 159.453 -7.034 -7.239 1.00 0.42 C ATOM 1301 C VAL A 84 157.996 -7.139 -6.765 1.00 0.40 C ATOM 1302 O VAL A 84 157.426 -8.218 -6.756 1.00 0.43 O ATOM 1303 CB VAL A 84 160.336 -8.017 -6.466 1.00 0.40 C ATOM 1304 CG1 VAL A 84 161.774 -7.891 -6.965 1.00 0.43 C ATOM 1305 CG2 VAL A 84 160.295 -7.697 -4.970 1.00 0.37 C ATOM 0 H VAL A 84 160.437 -5.487 -6.149 1.00 0.43 H new ATOM 0 HA VAL A 84 159.483 -7.279 -8.301 1.00 0.42 H new ATOM 0 HB VAL A 84 159.969 -9.031 -6.624 1.00 0.40 H new ATOM 0 HG11 VAL A 84 162.411 -8.588 -6.420 1.00 0.43 H new ATOM 0 HG12 VAL A 84 161.811 -8.122 -8.030 1.00 0.43 H new ATOM 0 HG13 VAL A 84 162.128 -6.873 -6.802 1.00 0.43 H new ATOM 0 HG21 VAL A 84 160.926 -8.402 -4.430 1.00 0.37 H new ATOM 0 HG22 VAL A 84 160.659 -6.683 -4.805 1.00 0.37 H new ATOM 0 HG23 VAL A 84 159.270 -7.777 -4.609 1.00 0.37 H new ATOM 1315 N GLU A 85 157.389 -6.025 -6.387 1.00 0.45 N ATOM 1316 CA GLU A 85 155.960 -6.025 -5.929 1.00 0.44 C ATOM 1317 C GLU A 85 155.099 -6.779 -6.957 1.00 0.44 C ATOM 1318 O GLU A 85 154.577 -7.839 -6.672 1.00 0.42 O ATOM 1319 CB GLU A 85 155.495 -4.566 -5.815 1.00 0.53 C ATOM 1320 CG GLU A 85 154.026 -4.492 -5.390 1.00 1.37 C ATOM 1321 CD GLU A 85 153.492 -3.088 -5.685 1.00 1.60 C ATOM 1322 OE1 GLU A 85 154.068 -2.140 -5.179 1.00 2.07 O ATOM 1323 OE2 GLU A 85 152.520 -2.984 -6.418 1.00 2.02 O ATOM 0 H GLU A 85 157.835 -5.108 -6.379 1.00 0.45 H new ATOM 0 HA GLU A 85 155.863 -6.519 -4.962 1.00 0.44 H new ATOM 0 HB2 GLU A 85 156.114 -4.038 -5.090 1.00 0.53 H new ATOM 0 HB3 GLU A 85 155.626 -4.062 -6.773 1.00 0.53 H new ATOM 0 HG2 GLU A 85 153.441 -5.238 -5.927 1.00 1.37 H new ATOM 0 HG3 GLU A 85 153.930 -4.716 -4.328 1.00 1.37 H new ATOM 1330 N ASP A 86 154.973 -6.230 -8.150 1.00 0.52 N ATOM 1331 CA ASP A 86 154.167 -6.868 -9.250 1.00 0.56 C ATOM 1332 C ASP A 86 154.438 -8.382 -9.340 1.00 0.51 C ATOM 1333 O ASP A 86 153.550 -9.153 -9.668 1.00 0.55 O ATOM 1334 CB ASP A 86 154.564 -6.213 -10.583 1.00 0.66 C ATOM 1335 CG ASP A 86 153.345 -5.541 -11.222 1.00 0.75 C ATOM 1336 OD1 ASP A 86 152.384 -6.240 -11.498 1.00 1.16 O ATOM 1337 OD2 ASP A 86 153.394 -4.338 -11.425 1.00 1.36 O ATOM 0 H ASP A 86 155.406 -5.345 -8.412 1.00 0.52 H new ATOM 0 HA ASP A 86 153.108 -6.723 -9.037 1.00 0.56 H new ATOM 0 HB2 ASP A 86 155.349 -5.476 -10.415 1.00 0.66 H new ATOM 0 HB3 ASP A 86 154.971 -6.964 -11.259 1.00 0.66 H new ATOM 1342 N LYS A 87 155.662 -8.792 -9.085 1.00 0.46 N ATOM 1343 CA LYS A 87 156.028 -10.245 -9.186 1.00 0.44 C ATOM 1344 C LYS A 87 155.560 -11.032 -7.954 1.00 0.40 C ATOM 1345 O LYS A 87 154.903 -12.050 -8.094 1.00 0.42 O ATOM 1346 CB LYS A 87 157.546 -10.379 -9.331 1.00 0.44 C ATOM 1347 CG LYS A 87 157.955 -9.963 -10.744 1.00 0.51 C ATOM 1348 CD LYS A 87 159.451 -9.637 -10.770 1.00 0.65 C ATOM 1349 CE LYS A 87 160.264 -10.933 -10.845 1.00 1.45 C ATOM 1350 NZ LYS A 87 160.693 -11.171 -12.254 1.00 2.10 N ATOM 0 H LYS A 87 156.428 -8.177 -8.809 1.00 0.46 H new ATOM 0 HA LYS A 87 155.528 -10.660 -10.061 1.00 0.44 H new ATOM 0 HB2 LYS A 87 158.050 -9.753 -8.595 1.00 0.44 H new ATOM 0 HB3 LYS A 87 157.852 -11.407 -9.139 1.00 0.44 H new ATOM 0 HG2 LYS A 87 157.735 -10.765 -11.448 1.00 0.51 H new ATOM 0 HG3 LYS A 87 157.377 -9.094 -11.060 1.00 0.51 H new ATOM 0 HD2 LYS A 87 159.680 -9.004 -11.627 1.00 0.65 H new ATOM 0 HD3 LYS A 87 159.726 -9.076 -9.877 1.00 0.65 H new ATOM 0 HE2 LYS A 87 161.136 -10.866 -10.195 1.00 1.45 H new ATOM 0 HE3 LYS A 87 159.665 -11.771 -10.489 1.00 1.45 H new ATOM 0 HZ1 LYS A 87 161.245 -12.051 -12.305 1.00 2.10 H new ATOM 0 HZ2 LYS A 87 159.854 -11.253 -12.863 1.00 2.10 H new ATOM 0 HZ3 LYS A 87 161.279 -10.375 -12.577 1.00 2.10 H new ATOM 1364 N VAL A 88 155.914 -10.591 -6.761 1.00 0.36 N ATOM 1365 CA VAL A 88 155.510 -11.343 -5.518 1.00 0.34 C ATOM 1366 C VAL A 88 154.071 -10.985 -5.101 1.00 0.33 C ATOM 1367 O VAL A 88 153.500 -11.659 -4.261 1.00 0.34 O ATOM 1368 CB VAL A 88 156.520 -11.073 -4.368 1.00 0.33 C ATOM 1369 CG1 VAL A 88 157.947 -11.031 -4.930 1.00 0.38 C ATOM 1370 CG2 VAL A 88 156.224 -9.741 -3.657 1.00 0.33 C ATOM 0 H VAL A 88 156.462 -9.747 -6.595 1.00 0.36 H new ATOM 0 HA VAL A 88 155.529 -12.410 -5.738 1.00 0.34 H new ATOM 0 HB VAL A 88 156.421 -11.882 -3.644 1.00 0.33 H new ATOM 0 HG11 VAL A 88 158.652 -10.841 -4.120 1.00 0.38 H new ATOM 0 HG12 VAL A 88 158.182 -11.987 -5.399 1.00 0.38 H new ATOM 0 HG13 VAL A 88 158.023 -10.235 -5.671 1.00 0.38 H new ATOM 0 HG21 VAL A 88 156.950 -9.585 -2.859 1.00 0.33 H new ATOM 0 HG22 VAL A 88 156.292 -8.923 -4.374 1.00 0.33 H new ATOM 0 HG23 VAL A 88 155.220 -9.770 -3.234 1.00 0.33 H new ATOM 1380 N THR A 89 153.479 -9.955 -5.688 1.00 0.37 N ATOM 1381 CA THR A 89 152.071 -9.583 -5.328 1.00 0.38 C ATOM 1382 C THR A 89 151.123 -10.641 -5.905 1.00 0.38 C ATOM 1383 O THR A 89 150.206 -11.054 -5.241 1.00 0.38 O ATOM 1384 CB THR A 89 151.740 -8.158 -5.857 1.00 0.43 C ATOM 1385 OG1 THR A 89 151.967 -7.219 -4.812 1.00 0.44 O ATOM 1386 CG2 THR A 89 150.272 -8.031 -6.325 1.00 0.46 C ATOM 0 H THR A 89 153.914 -9.363 -6.396 1.00 0.37 H new ATOM 0 HA THR A 89 151.949 -9.558 -4.245 1.00 0.38 H new ATOM 0 HB THR A 89 152.383 -7.964 -6.716 1.00 0.43 H new ATOM 0 HG1 THR A 89 151.204 -7.223 -4.197 1.00 0.44 H new ATOM 0 HG21 THR A 89 150.091 -7.018 -6.685 1.00 0.46 H new ATOM 0 HG22 THR A 89 150.084 -8.741 -7.130 1.00 0.46 H new ATOM 0 HG23 THR A 89 149.604 -8.244 -5.490 1.00 0.46 H new ATOM 1394 N VAL A 90 151.320 -11.055 -7.139 1.00 0.41 N ATOM 1395 CA VAL A 90 150.403 -12.073 -7.753 1.00 0.43 C ATOM 1396 C VAL A 90 150.355 -13.335 -6.884 1.00 0.41 C ATOM 1397 O VAL A 90 149.269 -13.717 -6.475 1.00 0.41 O ATOM 1398 CB VAL A 90 150.834 -12.347 -9.213 1.00 0.48 C ATOM 1399 CG1 VAL A 90 150.459 -13.765 -9.672 1.00 0.50 C ATOM 1400 CG2 VAL A 90 150.110 -11.339 -10.096 1.00 0.53 C ATOM 0 H VAL A 90 152.074 -10.732 -7.745 1.00 0.41 H new ATOM 0 HA VAL A 90 149.383 -11.690 -7.791 1.00 0.43 H new ATOM 0 HB VAL A 90 151.918 -12.256 -9.284 1.00 0.48 H new ATOM 0 HG11 VAL A 90 150.782 -13.911 -10.703 1.00 0.50 H new ATOM 0 HG12 VAL A 90 150.951 -14.497 -9.031 1.00 0.50 H new ATOM 0 HG13 VAL A 90 149.379 -13.894 -9.608 1.00 0.50 H new ATOM 0 HG21 VAL A 90 150.389 -11.501 -11.137 1.00 0.53 H new ATOM 0 HG22 VAL A 90 149.033 -11.466 -9.985 1.00 0.53 H new ATOM 0 HG23 VAL A 90 150.389 -10.328 -9.798 1.00 0.53 H new ATOM 1410 N PRO A 91 151.491 -13.944 -6.604 1.00 0.39 N ATOM 1411 CA PRO A 91 151.504 -15.137 -5.768 1.00 0.38 C ATOM 1412 C PRO A 91 151.165 -14.782 -4.312 1.00 0.35 C ATOM 1413 O PRO A 91 150.744 -15.642 -3.553 1.00 0.36 O ATOM 1414 CB PRO A 91 152.910 -15.716 -5.955 1.00 0.39 C ATOM 1415 CG PRO A 91 153.790 -14.577 -6.482 1.00 0.38 C ATOM 1416 CD PRO A 91 152.836 -13.524 -7.070 1.00 0.38 C ATOM 0 HA PRO A 91 150.750 -15.874 -6.044 1.00 0.38 H new ATOM 0 HB2 PRO A 91 153.299 -16.100 -5.012 1.00 0.39 H new ATOM 0 HB3 PRO A 91 152.895 -16.550 -6.657 1.00 0.39 H new ATOM 0 HG2 PRO A 91 154.393 -14.150 -5.680 1.00 0.38 H new ATOM 0 HG3 PRO A 91 154.482 -14.941 -7.242 1.00 0.38 H new ATOM 0 HD2 PRO A 91 153.084 -12.523 -6.718 1.00 0.38 H new ATOM 0 HD3 PRO A 91 152.891 -13.502 -8.158 1.00 0.38 H new ATOM 1424 N LEU A 92 151.301 -13.520 -3.931 1.00 0.32 N ATOM 1425 CA LEU A 92 150.937 -13.105 -2.535 1.00 0.30 C ATOM 1426 C LEU A 92 149.436 -12.798 -2.482 1.00 0.32 C ATOM 1427 O LEU A 92 148.756 -13.205 -1.557 1.00 0.33 O ATOM 1428 CB LEU A 92 151.707 -11.843 -2.105 1.00 0.30 C ATOM 1429 CG LEU A 92 153.094 -12.221 -1.584 1.00 0.34 C ATOM 1430 CD1 LEU A 92 153.908 -10.950 -1.331 1.00 0.41 C ATOM 1431 CD2 LEU A 92 152.966 -13.015 -0.275 1.00 0.41 C ATOM 0 H LEU A 92 151.647 -12.769 -4.528 1.00 0.32 H new ATOM 0 HA LEU A 92 151.196 -13.920 -1.860 1.00 0.30 H new ATOM 0 HB2 LEU A 92 151.802 -11.161 -2.950 1.00 0.30 H new ATOM 0 HB3 LEU A 92 151.151 -11.316 -1.330 1.00 0.30 H new ATOM 0 HG LEU A 92 153.598 -12.838 -2.328 1.00 0.34 H new ATOM 0 HD11 LEU A 92 154.897 -11.219 -0.960 1.00 0.41 H new ATOM 0 HD12 LEU A 92 154.010 -10.392 -2.262 1.00 0.41 H new ATOM 0 HD13 LEU A 92 153.398 -10.333 -0.591 1.00 0.41 H new ATOM 0 HD21 LEU A 92 153.959 -13.280 0.088 1.00 0.41 H new ATOM 0 HD22 LEU A 92 152.457 -12.406 0.472 1.00 0.41 H new ATOM 0 HD23 LEU A 92 152.391 -13.924 -0.455 1.00 0.41 H new ATOM 1443 N PHE A 93 148.923 -12.068 -3.460 1.00 0.34 N ATOM 1444 CA PHE A 93 147.477 -11.703 -3.472 1.00 0.38 C ATOM 1445 C PHE A 93 146.642 -12.986 -3.556 1.00 0.40 C ATOM 1446 O PHE A 93 145.694 -13.188 -2.798 1.00 0.43 O ATOM 1447 CB PHE A 93 147.175 -10.794 -4.677 1.00 0.43 C ATOM 1448 CG PHE A 93 147.677 -9.376 -4.428 1.00 0.42 C ATOM 1449 CD1 PHE A 93 148.747 -9.123 -3.551 1.00 1.23 C ATOM 1450 CD2 PHE A 93 147.082 -8.306 -5.106 1.00 1.24 C ATOM 1451 CE1 PHE A 93 149.210 -7.828 -3.363 1.00 1.23 C ATOM 1452 CE2 PHE A 93 147.549 -7.000 -4.907 1.00 1.24 C ATOM 1453 CZ PHE A 93 148.616 -6.764 -4.036 1.00 0.45 C ATOM 0 H PHE A 93 149.458 -11.712 -4.252 1.00 0.34 H new ATOM 0 HA PHE A 93 147.225 -11.163 -2.559 1.00 0.38 H new ATOM 0 HB2 PHE A 93 147.648 -11.200 -5.571 1.00 0.43 H new ATOM 0 HB3 PHE A 93 146.101 -10.776 -4.864 1.00 0.43 H new ATOM 0 HD1 PHE A 93 149.211 -9.941 -3.021 1.00 1.23 H new ATOM 0 HD2 PHE A 93 146.261 -8.487 -5.784 1.00 1.24 H new ATOM 0 HE1 PHE A 93 150.035 -7.645 -2.691 1.00 1.23 H new ATOM 0 HE2 PHE A 93 147.084 -6.175 -5.427 1.00 1.24 H new ATOM 0 HZ PHE A 93 148.979 -5.758 -3.885 1.00 0.45 H new ATOM 1463 N GLU A 94 147.009 -13.860 -4.477 1.00 0.40 N ATOM 1464 CA GLU A 94 146.276 -15.147 -4.658 1.00 0.43 C ATOM 1465 C GLU A 94 146.585 -16.097 -3.495 1.00 0.40 C ATOM 1466 O GLU A 94 145.800 -16.984 -3.200 1.00 0.44 O ATOM 1467 CB GLU A 94 146.718 -15.788 -5.985 1.00 0.49 C ATOM 1468 CG GLU A 94 145.524 -15.889 -6.941 1.00 1.27 C ATOM 1469 CD GLU A 94 146.019 -16.256 -8.342 1.00 1.59 C ATOM 1470 OE1 GLU A 94 146.285 -17.425 -8.568 1.00 2.03 O ATOM 1471 OE2 GLU A 94 146.122 -15.361 -9.165 1.00 2.18 O ATOM 0 H GLU A 94 147.795 -13.726 -5.113 1.00 0.40 H new ATOM 0 HA GLU A 94 145.203 -14.957 -4.677 1.00 0.43 H new ATOM 0 HB2 GLU A 94 147.510 -15.193 -6.440 1.00 0.49 H new ATOM 0 HB3 GLU A 94 147.131 -16.780 -5.800 1.00 0.49 H new ATOM 0 HG2 GLU A 94 144.821 -16.642 -6.584 1.00 1.27 H new ATOM 0 HG3 GLU A 94 144.987 -14.941 -6.971 1.00 1.27 H new ATOM 1478 N GLY A 95 147.725 -15.930 -2.849 1.00 0.37 N ATOM 1479 CA GLY A 95 148.100 -16.832 -1.723 1.00 0.36 C ATOM 1480 C GLY A 95 147.309 -16.492 -0.457 1.00 0.33 C ATOM 1481 O GLY A 95 147.091 -17.357 0.376 1.00 0.37 O ATOM 0 H GLY A 95 148.407 -15.202 -3.061 1.00 0.37 H new ATOM 0 HA2 GLY A 95 147.913 -17.868 -2.005 1.00 0.36 H new ATOM 0 HA3 GLY A 95 149.168 -16.744 -1.523 1.00 0.36 H new ATOM 1485 N VAL A 96 146.891 -15.247 -0.293 1.00 0.31 N ATOM 1486 CA VAL A 96 146.137 -14.863 0.937 1.00 0.32 C ATOM 1487 C VAL A 96 144.640 -14.912 0.672 1.00 0.38 C ATOM 1488 O VAL A 96 143.861 -14.861 1.613 1.00 0.49 O ATOM 1489 CB VAL A 96 146.493 -13.436 1.397 1.00 0.34 C ATOM 1490 CG1 VAL A 96 146.177 -13.307 2.889 1.00 0.37 C ATOM 1491 CG2 VAL A 96 147.982 -13.127 1.169 1.00 0.35 C ATOM 0 H VAL A 96 147.044 -14.491 -0.960 1.00 0.31 H new ATOM 0 HA VAL A 96 146.414 -15.573 1.717 1.00 0.32 H new ATOM 0 HB VAL A 96 145.906 -12.727 0.813 1.00 0.34 H new ATOM 0 HG11 VAL A 96 146.425 -12.301 3.228 1.00 0.37 H new ATOM 0 HG12 VAL A 96 145.116 -13.495 3.054 1.00 0.37 H new ATOM 0 HG13 VAL A 96 146.765 -14.034 3.450 1.00 0.37 H new ATOM 0 HG21 VAL A 96 148.199 -12.113 1.504 1.00 0.35 H new ATOM 0 HG22 VAL A 96 148.591 -13.834 1.733 1.00 0.35 H new ATOM 0 HG23 VAL A 96 148.214 -13.215 0.108 1.00 0.35 H new ATOM 1501 N GLN A 97 144.213 -14.963 -0.586 1.00 0.43 N ATOM 1502 CA GLN A 97 142.746 -14.960 -0.854 1.00 0.50 C ATOM 1503 C GLN A 97 142.228 -16.286 -1.439 1.00 0.67 C ATOM 1504 O GLN A 97 141.046 -16.390 -1.733 1.00 0.79 O ATOM 1505 CB GLN A 97 142.407 -13.837 -1.821 1.00 0.60 C ATOM 1506 CG GLN A 97 142.978 -12.512 -1.302 1.00 0.73 C ATOM 1507 CD GLN A 97 143.241 -11.597 -2.491 1.00 1.49 C ATOM 1508 OE1 GLN A 97 142.429 -11.525 -3.389 1.00 2.30 O ATOM 1509 NE2 GLN A 97 144.350 -10.910 -2.545 1.00 2.12 N ATOM 0 H GLN A 97 144.812 -15.005 -1.410 1.00 0.43 H new ATOM 0 HA GLN A 97 142.257 -14.816 0.110 1.00 0.50 H new ATOM 0 HB2 GLN A 97 142.816 -14.058 -2.807 1.00 0.60 H new ATOM 0 HB3 GLN A 97 141.326 -13.757 -1.935 1.00 0.60 H new ATOM 0 HG2 GLN A 97 142.277 -12.043 -0.611 1.00 0.73 H new ATOM 0 HG3 GLN A 97 143.901 -12.688 -0.749 1.00 0.73 H new ATOM 0 HE21 GLN A 97 145.028 -10.976 -1.786 1.00 2.12 H new ATOM 0 HE22 GLN A 97 144.538 -10.308 -3.346 1.00 2.12 H new ATOM 1518 N LYS A 98 143.066 -17.292 -1.617 1.00 0.76 N ATOM 1519 CA LYS A 98 142.572 -18.588 -2.190 1.00 1.04 C ATOM 1520 C LYS A 98 143.453 -19.730 -1.684 1.00 1.06 C ATOM 1521 O LYS A 98 143.890 -20.585 -2.439 1.00 1.85 O ATOM 1522 CB LYS A 98 142.607 -18.508 -3.729 1.00 1.23 C ATOM 1523 CG LYS A 98 141.191 -18.700 -4.283 1.00 1.75 C ATOM 1524 CD LYS A 98 141.234 -18.766 -5.816 1.00 2.20 C ATOM 1525 CE LYS A 98 140.619 -20.080 -6.302 1.00 2.94 C ATOM 1526 NZ LYS A 98 139.811 -19.820 -7.526 1.00 3.30 N ATOM 0 H LYS A 98 144.060 -17.268 -1.391 1.00 0.76 H new ATOM 0 HA LYS A 98 141.545 -18.774 -1.874 1.00 1.04 H new ATOM 0 HB2 LYS A 98 143.005 -17.544 -4.045 1.00 1.23 H new ATOM 0 HB3 LYS A 98 143.272 -19.273 -4.129 1.00 1.23 H new ATOM 0 HG2 LYS A 98 140.756 -19.616 -3.883 1.00 1.75 H new ATOM 0 HG3 LYS A 98 140.551 -17.877 -3.964 1.00 1.75 H new ATOM 0 HD2 LYS A 98 140.690 -17.922 -6.240 1.00 2.20 H new ATOM 0 HD3 LYS A 98 142.264 -18.687 -6.163 1.00 2.20 H new ATOM 0 HE2 LYS A 98 141.404 -20.805 -6.517 1.00 2.94 H new ATOM 0 HE3 LYS A 98 139.991 -20.512 -5.522 1.00 2.94 H new ATOM 0 HZ1 LYS A 98 139.391 -20.711 -7.860 1.00 3.30 H new ATOM 0 HZ2 LYS A 98 139.054 -19.142 -7.305 1.00 3.30 H new ATOM 0 HZ3 LYS A 98 140.423 -19.426 -8.269 1.00 3.30 H new ATOM 1540 N THR A 99 143.697 -19.739 -0.397 1.00 0.67 N ATOM 1541 CA THR A 99 144.553 -20.806 0.226 1.00 0.67 C ATOM 1542 C THR A 99 144.653 -20.577 1.740 1.00 0.64 C ATOM 1543 O THR A 99 144.496 -21.505 2.512 1.00 0.74 O ATOM 1544 CB THR A 99 145.978 -20.774 -0.371 1.00 0.66 C ATOM 1545 OG1 THR A 99 146.279 -19.468 -0.845 1.00 1.27 O ATOM 1546 CG2 THR A 99 146.097 -21.773 -1.525 1.00 1.21 C ATOM 0 H THR A 99 143.337 -19.046 0.259 1.00 0.67 H new ATOM 0 HA THR A 99 144.094 -21.773 0.022 1.00 0.67 H new ATOM 0 HB THR A 99 146.685 -21.048 0.412 1.00 0.66 H new ATOM 0 HG1 THR A 99 146.727 -18.958 -0.138 1.00 1.27 H new ATOM 0 HG21 THR A 99 147.107 -21.738 -1.934 1.00 1.21 H new ATOM 0 HG22 THR A 99 145.889 -22.778 -1.159 1.00 1.21 H new ATOM 0 HG23 THR A 99 145.380 -21.515 -2.305 1.00 1.21 H new ATOM 1554 N GLN A 100 144.955 -19.356 2.153 1.00 0.54 N ATOM 1555 CA GLN A 100 145.119 -19.026 3.605 1.00 0.56 C ATOM 1556 C GLN A 100 146.402 -19.656 4.145 1.00 0.58 C ATOM 1557 O GLN A 100 146.597 -19.751 5.346 1.00 0.66 O ATOM 1558 CB GLN A 100 143.908 -19.484 4.435 1.00 0.67 C ATOM 1559 CG GLN A 100 142.713 -18.559 4.166 1.00 0.92 C ATOM 1560 CD GLN A 100 141.470 -19.399 3.854 1.00 1.28 C ATOM 1561 OE1 GLN A 100 140.947 -20.075 4.717 1.00 1.58 O ATOM 1562 NE2 GLN A 100 140.974 -19.385 2.647 1.00 1.71 N ATOM 0 H GLN A 100 145.096 -18.564 1.525 1.00 0.54 H new ATOM 0 HA GLN A 100 145.186 -17.942 3.694 1.00 0.56 H new ATOM 0 HB2 GLN A 100 143.649 -20.512 4.180 1.00 0.67 H new ATOM 0 HB3 GLN A 100 144.157 -19.472 5.496 1.00 0.67 H new ATOM 0 HG2 GLN A 100 142.528 -17.926 5.034 1.00 0.92 H new ATOM 0 HG3 GLN A 100 142.935 -17.896 3.330 1.00 0.92 H new ATOM 0 HE21 GLN A 100 141.413 -18.817 1.922 1.00 1.71 H new ATOM 0 HE22 GLN A 100 140.148 -19.942 2.429 1.00 1.71 H new ATOM 1571 N THR A 101 147.296 -20.030 3.257 1.00 0.56 N ATOM 1572 CA THR A 101 148.609 -20.594 3.668 1.00 0.63 C ATOM 1573 C THR A 101 149.566 -19.434 3.992 1.00 0.55 C ATOM 1574 O THR A 101 150.666 -19.638 4.476 1.00 0.61 O ATOM 1575 CB THR A 101 149.146 -21.477 2.530 1.00 0.71 C ATOM 1576 OG1 THR A 101 150.232 -22.261 3.002 1.00 1.39 O ATOM 1577 CG2 THR A 101 149.602 -20.646 1.314 1.00 1.08 C ATOM 0 H THR A 101 147.161 -19.964 2.248 1.00 0.56 H new ATOM 0 HA THR A 101 148.511 -21.213 4.560 1.00 0.63 H new ATOM 0 HB THR A 101 148.330 -22.121 2.204 1.00 0.71 H new ATOM 0 HG1 THR A 101 150.710 -21.770 3.702 1.00 1.39 H new ATOM 0 HG21 THR A 101 149.973 -21.313 0.536 1.00 1.08 H new ATOM 0 HG22 THR A 101 148.759 -20.073 0.928 1.00 1.08 H new ATOM 0 HG23 THR A 101 150.397 -19.964 1.617 1.00 1.08 H new ATOM 1585 N ILE A 102 149.125 -18.221 3.726 1.00 0.44 N ATOM 1586 CA ILE A 102 149.948 -17.008 4.000 1.00 0.39 C ATOM 1587 C ILE A 102 149.651 -16.513 5.430 1.00 0.40 C ATOM 1588 O ILE A 102 148.896 -15.570 5.633 1.00 0.42 O ATOM 1589 CB ILE A 102 149.601 -15.909 2.981 1.00 0.37 C ATOM 1590 CG1 ILE A 102 149.594 -16.493 1.552 1.00 0.36 C ATOM 1591 CG2 ILE A 102 150.600 -14.747 3.088 1.00 0.41 C ATOM 1592 CD1 ILE A 102 150.999 -16.881 1.089 1.00 0.37 C ATOM 0 H ILE A 102 148.209 -18.025 3.322 1.00 0.44 H new ATOM 0 HA ILE A 102 151.007 -17.250 3.911 1.00 0.39 H new ATOM 0 HB ILE A 102 148.605 -15.525 3.202 1.00 0.37 H new ATOM 0 HG12 ILE A 102 148.946 -17.369 1.521 1.00 0.36 H new ATOM 0 HG13 ILE A 102 149.173 -15.761 0.862 1.00 0.36 H new ATOM 0 HG21 ILE A 102 150.342 -13.977 2.361 1.00 0.41 H new ATOM 0 HG22 ILE A 102 150.561 -14.325 4.092 1.00 0.41 H new ATOM 0 HG23 ILE A 102 151.607 -15.113 2.887 1.00 0.41 H new ATOM 0 HD11 ILE A 102 150.950 -17.288 0.079 1.00 0.37 H new ATOM 0 HD12 ILE A 102 151.640 -16.000 1.095 1.00 0.37 H new ATOM 0 HD13 ILE A 102 151.410 -17.633 1.763 1.00 0.37 H new ATOM 1604 N ARG A 103 150.237 -17.153 6.422 1.00 0.45 N ATOM 1605 CA ARG A 103 150.003 -16.744 7.853 1.00 0.49 C ATOM 1606 C ARG A 103 151.318 -16.878 8.640 1.00 0.45 C ATOM 1607 O ARG A 103 151.314 -17.053 9.850 1.00 0.46 O ATOM 1608 CB ARG A 103 148.897 -17.601 8.531 1.00 0.54 C ATOM 1609 CG ARG A 103 148.220 -18.562 7.541 1.00 1.04 C ATOM 1610 CD ARG A 103 149.080 -19.817 7.379 1.00 1.40 C ATOM 1611 NE ARG A 103 148.209 -21.022 7.453 1.00 2.07 N ATOM 1612 CZ ARG A 103 148.362 -21.881 8.421 1.00 2.66 C ATOM 1613 NH1 ARG A 103 148.000 -21.565 9.629 1.00 3.32 N ATOM 1614 NH2 ARG A 103 148.879 -23.049 8.179 1.00 3.15 N ATOM 0 H ARG A 103 150.870 -17.944 6.302 1.00 0.45 H new ATOM 0 HA ARG A 103 149.663 -15.708 7.855 1.00 0.49 H new ATOM 0 HB2 ARG A 103 149.334 -18.173 9.350 1.00 0.54 H new ATOM 0 HB3 ARG A 103 148.146 -16.943 8.967 1.00 0.54 H new ATOM 0 HG2 ARG A 103 147.227 -18.832 7.901 1.00 1.04 H new ATOM 0 HG3 ARG A 103 148.087 -18.073 6.576 1.00 1.04 H new ATOM 0 HD2 ARG A 103 149.605 -19.791 6.424 1.00 1.40 H new ATOM 0 HD3 ARG A 103 149.840 -19.855 8.160 1.00 1.40 H new ATOM 0 HE ARG A 103 147.491 -21.176 6.745 1.00 2.07 H new ATOM 0 HH11 ARG A 103 147.597 -20.647 9.817 1.00 3.32 H new ATOM 0 HH12 ARG A 103 148.118 -22.235 10.389 1.00 3.32 H new ATOM 0 HH21 ARG A 103 149.165 -23.294 7.231 1.00 3.15 H new ATOM 0 HH22 ARG A 103 148.998 -23.721 8.937 1.00 3.15 H new ATOM 1628 N SER A 104 152.438 -16.784 7.952 1.00 0.50 N ATOM 1629 CA SER A 104 153.770 -16.892 8.618 1.00 0.48 C ATOM 1630 C SER A 104 154.791 -16.061 7.843 1.00 0.46 C ATOM 1631 O SER A 104 154.861 -16.143 6.632 1.00 0.43 O ATOM 1632 CB SER A 104 154.207 -18.360 8.660 1.00 0.46 C ATOM 1633 OG SER A 104 154.478 -18.822 7.344 1.00 0.71 O ATOM 0 H SER A 104 152.479 -16.635 6.944 1.00 0.50 H new ATOM 0 HA SER A 104 153.702 -16.515 9.639 1.00 0.48 H new ATOM 0 HB2 SER A 104 155.096 -18.466 9.282 1.00 0.46 H new ATOM 0 HB3 SER A 104 153.425 -18.968 9.114 1.00 0.46 H new ATOM 0 HG SER A 104 155.410 -19.120 7.287 1.00 0.71 H new ATOM 1639 N ALA A 105 155.596 -15.270 8.533 1.00 0.50 N ATOM 1640 CA ALA A 105 156.640 -14.437 7.843 1.00 0.52 C ATOM 1641 C ALA A 105 157.462 -15.353 6.932 1.00 0.45 C ATOM 1642 O ALA A 105 157.894 -14.961 5.854 1.00 0.44 O ATOM 1643 CB ALA A 105 157.547 -13.793 8.898 1.00 0.59 C ATOM 0 H ALA A 105 155.571 -15.168 9.548 1.00 0.50 H new ATOM 0 HA ALA A 105 156.174 -13.650 7.250 1.00 0.52 H new ATOM 0 HB1 ALA A 105 158.307 -13.187 8.404 1.00 0.59 H new ATOM 0 HB2 ALA A 105 156.949 -13.161 9.555 1.00 0.59 H new ATOM 0 HB3 ALA A 105 158.031 -14.572 9.487 1.00 0.59 H new ATOM 1649 N SER A 106 157.641 -16.587 7.362 1.00 0.45 N ATOM 1650 CA SER A 106 158.395 -17.577 6.551 1.00 0.44 C ATOM 1651 C SER A 106 157.637 -17.804 5.237 1.00 0.39 C ATOM 1652 O SER A 106 158.250 -18.010 4.201 1.00 0.41 O ATOM 1653 CB SER A 106 158.550 -18.889 7.342 1.00 0.48 C ATOM 1654 OG SER A 106 157.365 -19.671 7.256 1.00 1.42 O ATOM 0 H SER A 106 157.289 -16.943 8.251 1.00 0.45 H new ATOM 0 HA SER A 106 159.395 -17.207 6.326 1.00 0.44 H new ATOM 0 HB2 SER A 106 159.395 -19.457 6.953 1.00 0.48 H new ATOM 0 HB3 SER A 106 158.770 -18.666 8.386 1.00 0.48 H new ATOM 0 HG SER A 106 157.483 -20.501 7.763 1.00 1.42 H new ATOM 1660 N ASP A 107 156.308 -17.739 5.271 1.00 0.37 N ATOM 1661 CA ASP A 107 155.523 -17.923 4.006 1.00 0.36 C ATOM 1662 C ASP A 107 155.813 -16.723 3.094 1.00 0.32 C ATOM 1663 O ASP A 107 156.143 -16.888 1.925 1.00 0.31 O ATOM 1664 CB ASP A 107 154.006 -18.078 4.303 1.00 0.43 C ATOM 1665 CG ASP A 107 153.271 -16.726 4.390 1.00 1.25 C ATOM 1666 OD1 ASP A 107 153.206 -16.041 3.382 1.00 1.94 O ATOM 1667 OD2 ASP A 107 152.753 -16.422 5.447 1.00 1.80 O ATOM 0 H ASP A 107 155.752 -17.569 6.109 1.00 0.37 H new ATOM 0 HA ASP A 107 155.825 -18.842 3.503 1.00 0.36 H new ATOM 0 HB2 ASP A 107 153.548 -18.685 3.522 1.00 0.43 H new ATOM 0 HB3 ASP A 107 153.878 -18.617 5.242 1.00 0.43 H new ATOM 1672 N ILE A 108 155.698 -15.511 3.634 1.00 0.33 N ATOM 1673 CA ILE A 108 155.978 -14.273 2.821 1.00 0.32 C ATOM 1674 C ILE A 108 157.330 -14.436 2.109 1.00 0.29 C ATOM 1675 O ILE A 108 157.539 -13.904 1.030 1.00 0.31 O ATOM 1676 CB ILE A 108 156.048 -13.028 3.722 1.00 0.36 C ATOM 1677 CG1 ILE A 108 154.771 -12.872 4.543 1.00 0.44 C ATOM 1678 CG2 ILE A 108 156.221 -11.778 2.861 1.00 0.35 C ATOM 1679 CD1 ILE A 108 155.076 -11.941 5.714 1.00 0.53 C ATOM 0 H ILE A 108 155.423 -15.335 4.600 1.00 0.33 H new ATOM 0 HA ILE A 108 155.171 -14.144 2.099 1.00 0.32 H new ATOM 0 HB ILE A 108 156.896 -13.151 4.396 1.00 0.36 H new ATOM 0 HG12 ILE A 108 153.970 -12.462 3.928 1.00 0.44 H new ATOM 0 HG13 ILE A 108 154.430 -13.842 4.905 1.00 0.44 H new ATOM 0 HG21 ILE A 108 156.270 -10.898 3.503 1.00 0.35 H new ATOM 0 HG22 ILE A 108 157.142 -11.858 2.284 1.00 0.35 H new ATOM 0 HG23 ILE A 108 155.374 -11.684 2.181 1.00 0.35 H new ATOM 0 HD11 ILE A 108 154.179 -11.811 6.319 1.00 0.53 H new ATOM 0 HD12 ILE A 108 155.867 -12.374 6.326 1.00 0.53 H new ATOM 0 HD13 ILE A 108 155.400 -10.972 5.334 1.00 0.53 H new ATOM 1691 N ARG A 109 158.236 -15.179 2.719 1.00 0.31 N ATOM 1692 CA ARG A 109 159.583 -15.409 2.111 1.00 0.34 C ATOM 1693 C ARG A 109 159.454 -16.391 0.947 1.00 0.32 C ATOM 1694 O ARG A 109 160.099 -16.237 -0.076 1.00 0.38 O ATOM 1695 CB ARG A 109 160.513 -16.006 3.166 1.00 0.42 C ATOM 1696 CG ARG A 109 161.400 -14.909 3.747 1.00 0.92 C ATOM 1697 CD ARG A 109 162.158 -15.462 4.949 1.00 1.14 C ATOM 1698 NE ARG A 109 163.383 -14.643 5.184 1.00 1.55 N ATOM 1699 CZ ARG A 109 164.208 -14.931 6.156 1.00 1.94 C ATOM 1700 NH1 ARG A 109 164.318 -16.160 6.602 1.00 2.69 N ATOM 1701 NH2 ARG A 109 164.941 -13.988 6.686 1.00 2.27 N ATOM 0 H ARG A 109 158.091 -15.636 3.619 1.00 0.31 H new ATOM 0 HA ARG A 109 159.988 -14.463 1.750 1.00 0.34 H new ATOM 0 HB2 ARG A 109 159.928 -16.472 3.959 1.00 0.42 H new ATOM 0 HB3 ARG A 109 161.129 -16.788 2.722 1.00 0.42 H new ATOM 0 HG2 ARG A 109 162.101 -14.553 2.992 1.00 0.92 H new ATOM 0 HG3 ARG A 109 160.793 -14.054 4.046 1.00 0.92 H new ATOM 0 HD2 ARG A 109 161.521 -15.445 5.833 1.00 1.14 H new ATOM 0 HD3 ARG A 109 162.431 -16.502 4.773 1.00 1.14 H new ATOM 0 HE ARG A 109 163.579 -13.847 4.577 1.00 1.55 H new ATOM 0 HH11 ARG A 109 163.756 -16.904 6.190 1.00 2.69 H new ATOM 0 HH12 ARG A 109 164.966 -16.371 7.361 1.00 2.69 H new ATOM 0 HH21 ARG A 109 164.868 -13.031 6.341 1.00 2.27 H new ATOM 0 HH22 ARG A 109 165.586 -14.209 7.445 1.00 2.27 H new ATOM 1715 N ASP A 110 158.626 -17.402 1.111 1.00 0.34 N ATOM 1716 CA ASP A 110 158.430 -18.425 0.037 1.00 0.36 C ATOM 1717 C ASP A 110 158.005 -17.733 -1.255 1.00 0.34 C ATOM 1718 O ASP A 110 158.515 -18.033 -2.323 1.00 0.37 O ATOM 1719 CB ASP A 110 157.334 -19.407 0.467 1.00 0.40 C ATOM 1720 CG ASP A 110 157.769 -20.216 1.700 1.00 1.38 C ATOM 1721 OD1 ASP A 110 158.594 -19.732 2.464 1.00 2.08 O ATOM 1722 OD2 ASP A 110 157.251 -21.308 1.865 1.00 2.21 O ATOM 0 H ASP A 110 158.074 -17.560 1.954 1.00 0.34 H new ATOM 0 HA ASP A 110 159.364 -18.963 -0.127 1.00 0.36 H new ATOM 0 HB2 ASP A 110 156.419 -18.860 0.692 1.00 0.40 H new ATOM 0 HB3 ASP A 110 157.106 -20.085 -0.355 1.00 0.40 H new ATOM 1727 N VAL A 111 157.076 -16.809 -1.152 1.00 0.31 N ATOM 1728 CA VAL A 111 156.594 -16.073 -2.360 1.00 0.34 C ATOM 1729 C VAL A 111 157.679 -15.104 -2.839 1.00 0.33 C ATOM 1730 O VAL A 111 157.883 -14.942 -4.030 1.00 0.37 O ATOM 1731 CB VAL A 111 155.328 -15.292 -2.019 1.00 0.36 C ATOM 1732 CG1 VAL A 111 154.744 -14.711 -3.301 1.00 0.46 C ATOM 1733 CG2 VAL A 111 154.303 -16.224 -1.368 1.00 0.54 C ATOM 0 H VAL A 111 156.631 -16.534 -0.277 1.00 0.31 H new ATOM 0 HA VAL A 111 156.373 -16.790 -3.151 1.00 0.34 H new ATOM 0 HB VAL A 111 155.571 -14.488 -1.324 1.00 0.36 H new ATOM 0 HG11 VAL A 111 153.839 -14.151 -3.067 1.00 0.46 H new ATOM 0 HG12 VAL A 111 155.473 -14.046 -3.764 1.00 0.46 H new ATOM 0 HG13 VAL A 111 154.502 -15.520 -3.990 1.00 0.46 H new ATOM 0 HG21 VAL A 111 153.401 -15.661 -1.127 1.00 0.54 H new ATOM 0 HG22 VAL A 111 154.054 -17.030 -2.058 1.00 0.54 H new ATOM 0 HG23 VAL A 111 154.723 -16.645 -0.455 1.00 0.54 H new ATOM 1743 N PHE A 112 158.370 -14.465 -1.916 1.00 0.31 N ATOM 1744 CA PHE A 112 159.451 -13.501 -2.292 1.00 0.33 C ATOM 1745 C PHE A 112 160.539 -14.244 -3.069 1.00 0.35 C ATOM 1746 O PHE A 112 160.982 -13.795 -4.114 1.00 0.42 O ATOM 1747 CB PHE A 112 160.051 -12.888 -1.019 1.00 0.33 C ATOM 1748 CG PHE A 112 159.747 -11.408 -0.969 1.00 0.36 C ATOM 1749 CD1 PHE A 112 160.404 -10.528 -1.834 1.00 1.33 C ATOM 1750 CD2 PHE A 112 158.811 -10.920 -0.055 1.00 1.24 C ATOM 1751 CE1 PHE A 112 160.120 -9.157 -1.786 1.00 1.43 C ATOM 1752 CE2 PHE A 112 158.529 -9.551 -0.008 1.00 1.32 C ATOM 1753 CZ PHE A 112 159.183 -8.670 -0.872 1.00 0.80 C ATOM 0 H PHE A 112 158.226 -14.574 -0.912 1.00 0.31 H new ATOM 0 HA PHE A 112 159.038 -12.707 -2.914 1.00 0.33 H new ATOM 0 HB2 PHE A 112 159.641 -13.382 -0.138 1.00 0.33 H new ATOM 0 HB3 PHE A 112 161.129 -13.048 -1.001 1.00 0.33 H new ATOM 0 HD1 PHE A 112 161.130 -10.905 -2.539 1.00 1.33 H new ATOM 0 HD2 PHE A 112 158.305 -11.599 0.615 1.00 1.24 H new ATOM 0 HE1 PHE A 112 160.625 -8.477 -2.456 1.00 1.43 H new ATOM 0 HE2 PHE A 112 157.804 -9.174 0.698 1.00 1.32 H new ATOM 0 HZ PHE A 112 158.964 -7.613 -0.833 1.00 0.80 H new ATOM 1763 N ILE A 113 160.964 -15.375 -2.552 1.00 0.35 N ATOM 1764 CA ILE A 113 162.027 -16.185 -3.224 1.00 0.39 C ATOM 1765 C ILE A 113 161.484 -16.764 -4.539 1.00 0.41 C ATOM 1766 O ILE A 113 162.242 -17.043 -5.453 1.00 0.46 O ATOM 1767 CB ILE A 113 162.460 -17.324 -2.295 1.00 0.41 C ATOM 1768 CG1 ILE A 113 162.901 -16.747 -0.946 1.00 0.43 C ATOM 1769 CG2 ILE A 113 163.632 -18.080 -2.924 1.00 0.49 C ATOM 1770 CD1 ILE A 113 162.664 -17.782 0.156 1.00 0.47 C ATOM 0 H ILE A 113 160.613 -15.774 -1.681 1.00 0.35 H new ATOM 0 HA ILE A 113 162.885 -15.550 -3.443 1.00 0.39 H new ATOM 0 HB ILE A 113 161.622 -18.004 -2.146 1.00 0.41 H new ATOM 0 HG12 ILE A 113 163.956 -16.475 -0.983 1.00 0.43 H new ATOM 0 HG13 ILE A 113 162.344 -15.836 -0.729 1.00 0.43 H new ATOM 0 HG21 ILE A 113 163.939 -18.890 -2.263 1.00 0.49 H new ATOM 0 HG22 ILE A 113 163.325 -18.493 -3.885 1.00 0.49 H new ATOM 0 HG23 ILE A 113 164.468 -17.396 -3.073 1.00 0.49 H new ATOM 0 HD11 ILE A 113 162.978 -17.371 1.115 1.00 0.47 H new ATOM 0 HD12 ILE A 113 161.604 -18.032 0.198 1.00 0.47 H new ATOM 0 HD13 ILE A 113 163.241 -18.681 -0.059 1.00 0.47 H new ATOM 1782 N ASN A 114 160.178 -16.943 -4.632 1.00 0.42 N ATOM 1783 CA ASN A 114 159.560 -17.503 -5.878 1.00 0.47 C ATOM 1784 C ASN A 114 159.780 -16.534 -7.050 1.00 0.48 C ATOM 1785 O ASN A 114 159.803 -16.944 -8.199 1.00 0.54 O ATOM 1786 CB ASN A 114 158.052 -17.709 -5.648 1.00 0.52 C ATOM 1787 CG ASN A 114 157.685 -19.186 -5.842 1.00 0.98 C ATOM 1788 OD1 ASN A 114 158.194 -19.841 -6.731 1.00 1.72 O ATOM 1789 ND2 ASN A 114 156.812 -19.740 -5.044 1.00 1.68 N ATOM 0 H ASN A 114 159.514 -16.722 -3.890 1.00 0.42 H new ATOM 0 HA ASN A 114 160.026 -18.459 -6.117 1.00 0.47 H new ATOM 0 HB2 ASN A 114 157.783 -17.389 -4.641 1.00 0.52 H new ATOM 0 HB3 ASN A 114 157.483 -17.091 -6.342 1.00 0.52 H new ATOM 0 HD21 ASN A 114 156.558 -20.720 -5.167 1.00 1.68 H new ATOM 0 HD22 ASN A 114 156.384 -19.192 -4.298 1.00 1.68 H new ATOM 1796 N ALA A 115 159.945 -15.258 -6.760 1.00 0.45 N ATOM 1797 CA ALA A 115 160.169 -14.241 -7.839 1.00 0.48 C ATOM 1798 C ALA A 115 161.668 -14.125 -8.158 1.00 0.52 C ATOM 1799 O ALA A 115 162.070 -13.253 -8.910 1.00 0.63 O ATOM 1800 CB ALA A 115 159.644 -12.884 -7.363 1.00 0.48 C ATOM 0 H ALA A 115 159.933 -14.879 -5.813 1.00 0.45 H new ATOM 0 HA ALA A 115 159.640 -14.552 -8.740 1.00 0.48 H new ATOM 0 HB1 ALA A 115 159.803 -12.139 -8.142 1.00 0.48 H new ATOM 0 HB2 ALA A 115 158.578 -12.961 -7.147 1.00 0.48 H new ATOM 0 HB3 ALA A 115 160.176 -12.584 -6.460 1.00 0.48 H new ATOM 1806 N GLY A 116 162.491 -14.984 -7.582 1.00 0.51 N ATOM 1807 CA GLY A 116 163.968 -14.923 -7.832 1.00 0.60 C ATOM 1808 C GLY A 116 164.632 -13.967 -6.828 1.00 0.61 C ATOM 1809 O GLY A 116 165.811 -13.671 -6.942 1.00 0.72 O ATOM 0 H GLY A 116 162.196 -15.726 -6.947 1.00 0.51 H new ATOM 0 HA2 GLY A 116 164.402 -15.919 -7.740 1.00 0.60 H new ATOM 0 HA3 GLY A 116 164.159 -14.584 -8.850 1.00 0.60 H new ATOM 1813 N ILE A 117 163.882 -13.484 -5.851 1.00 0.57 N ATOM 1814 CA ILE A 117 164.444 -12.547 -4.832 1.00 0.64 C ATOM 1815 C ILE A 117 164.971 -13.410 -3.657 1.00 0.64 C ATOM 1816 O ILE A 117 164.448 -13.350 -2.552 1.00 0.85 O ATOM 1817 CB ILE A 117 163.330 -11.570 -4.342 1.00 0.66 C ATOM 1818 CG1 ILE A 117 162.819 -10.602 -5.456 1.00 0.85 C ATOM 1819 CG2 ILE A 117 163.877 -10.696 -3.196 1.00 0.91 C ATOM 1820 CD1 ILE A 117 162.959 -11.167 -6.877 1.00 0.78 C ATOM 0 H ILE A 117 162.895 -13.707 -5.723 1.00 0.57 H new ATOM 0 HA ILE A 117 165.251 -11.947 -5.252 1.00 0.64 H new ATOM 0 HB ILE A 117 162.499 -12.199 -4.024 1.00 0.66 H new ATOM 0 HG12 ILE A 117 161.771 -10.368 -5.269 1.00 0.85 H new ATOM 0 HG13 ILE A 117 163.371 -9.664 -5.391 1.00 0.85 H new ATOM 0 HG21 ILE A 117 163.098 -10.014 -2.855 1.00 0.91 H new ATOM 0 HG22 ILE A 117 164.189 -11.334 -2.369 1.00 0.91 H new ATOM 0 HG23 ILE A 117 164.732 -10.121 -3.553 1.00 0.91 H new ATOM 0 HD11 ILE A 117 162.584 -10.439 -7.597 1.00 0.78 H new ATOM 0 HD12 ILE A 117 164.009 -11.374 -7.084 1.00 0.78 H new ATOM 0 HD13 ILE A 117 162.384 -12.089 -6.960 1.00 0.78 H new ATOM 1832 N LYS A 118 165.992 -14.233 -3.899 1.00 0.60 N ATOM 1833 CA LYS A 118 166.568 -15.122 -2.828 1.00 0.67 C ATOM 1834 C LYS A 118 166.680 -14.372 -1.496 1.00 0.57 C ATOM 1835 O LYS A 118 166.916 -13.175 -1.472 1.00 0.53 O ATOM 1836 CB LYS A 118 167.973 -15.566 -3.248 1.00 0.81 C ATOM 1837 CG LYS A 118 167.883 -16.638 -4.335 1.00 1.27 C ATOM 1838 CD LYS A 118 169.158 -17.486 -4.315 1.00 1.41 C ATOM 1839 CE LYS A 118 168.923 -18.803 -5.057 1.00 2.14 C ATOM 1840 NZ LYS A 118 169.649 -18.760 -6.357 1.00 2.69 N ATOM 0 H LYS A 118 166.449 -14.320 -4.807 1.00 0.60 H new ATOM 0 HA LYS A 118 165.908 -15.980 -2.702 1.00 0.67 H new ATOM 0 HB2 LYS A 118 168.538 -14.710 -3.617 1.00 0.81 H new ATOM 0 HB3 LYS A 118 168.512 -15.957 -2.385 1.00 0.81 H new ATOM 0 HG2 LYS A 118 167.010 -17.269 -4.168 1.00 1.27 H new ATOM 0 HG3 LYS A 118 167.758 -16.172 -5.312 1.00 1.27 H new ATOM 0 HD2 LYS A 118 169.977 -16.938 -4.781 1.00 1.41 H new ATOM 0 HD3 LYS A 118 169.455 -17.687 -3.286 1.00 1.41 H new ATOM 0 HE2 LYS A 118 169.274 -19.642 -4.456 1.00 2.14 H new ATOM 0 HE3 LYS A 118 167.857 -18.956 -5.225 1.00 2.14 H new ATOM 0 HZ1 LYS A 118 169.496 -19.652 -6.870 1.00 2.69 H new ATOM 0 HZ2 LYS A 118 169.293 -17.967 -6.927 1.00 2.69 H new ATOM 0 HZ3 LYS A 118 170.666 -18.632 -6.182 1.00 2.69 H new ATOM 1854 N GLY A 119 166.519 -15.078 -0.394 1.00 0.60 N ATOM 1855 CA GLY A 119 166.620 -14.441 0.962 1.00 0.58 C ATOM 1856 C GLY A 119 167.927 -13.643 1.061 1.00 0.55 C ATOM 1857 O GLY A 119 168.019 -12.683 1.809 1.00 0.54 O ATOM 0 H GLY A 119 166.320 -16.078 -0.379 1.00 0.60 H new ATOM 0 HA2 GLY A 119 165.767 -13.783 1.130 1.00 0.58 H new ATOM 0 HA3 GLY A 119 166.590 -15.206 1.737 1.00 0.58 H new ATOM 1861 N GLU A 120 168.928 -14.041 0.299 1.00 0.63 N ATOM 1862 CA GLU A 120 170.243 -13.332 0.311 1.00 0.70 C ATOM 1863 C GLU A 120 170.062 -11.901 -0.205 1.00 0.64 C ATOM 1864 O GLU A 120 170.540 -10.954 0.401 1.00 0.66 O ATOM 1865 CB GLU A 120 171.222 -14.078 -0.599 1.00 0.85 C ATOM 1866 CG GLU A 120 172.640 -13.559 -0.363 1.00 1.50 C ATOM 1867 CD GLU A 120 173.644 -14.556 -0.943 1.00 1.81 C ATOM 1868 OE1 GLU A 120 173.688 -15.672 -0.453 1.00 2.25 O ATOM 1869 OE2 GLU A 120 174.348 -14.187 -1.867 1.00 2.40 O ATOM 0 H GLU A 120 168.882 -14.838 -0.336 1.00 0.63 H new ATOM 0 HA GLU A 120 170.632 -13.302 1.329 1.00 0.70 H new ATOM 0 HB2 GLU A 120 171.178 -15.148 -0.398 1.00 0.85 H new ATOM 0 HB3 GLU A 120 170.942 -13.938 -1.643 1.00 0.85 H new ATOM 0 HG2 GLU A 120 172.766 -12.583 -0.833 1.00 1.50 H new ATOM 0 HG3 GLU A 120 172.818 -13.425 0.704 1.00 1.50 H new ATOM 1876 N GLU A 121 169.378 -11.747 -1.321 1.00 0.61 N ATOM 1877 CA GLU A 121 169.149 -10.387 -1.908 1.00 0.59 C ATOM 1878 C GLU A 121 168.037 -9.678 -1.132 1.00 0.53 C ATOM 1879 O GLU A 121 168.100 -8.479 -0.909 1.00 0.58 O ATOM 1880 CB GLU A 121 168.740 -10.532 -3.380 1.00 0.62 C ATOM 1881 CG GLU A 121 169.894 -10.091 -4.288 1.00 1.06 C ATOM 1882 CD GLU A 121 169.388 -9.860 -5.719 1.00 1.42 C ATOM 1883 OE1 GLU A 121 168.520 -10.601 -6.159 1.00 2.17 O ATOM 1884 OE2 GLU A 121 169.884 -8.944 -6.354 1.00 1.89 O ATOM 0 H GLU A 121 168.967 -12.514 -1.852 1.00 0.61 H new ATOM 0 HA GLU A 121 170.065 -9.800 -1.842 1.00 0.59 H new ATOM 0 HB2 GLU A 121 168.474 -11.568 -3.592 1.00 0.62 H new ATOM 0 HB3 GLU A 121 167.856 -9.928 -3.582 1.00 0.62 H new ATOM 0 HG2 GLU A 121 170.341 -9.175 -3.901 1.00 1.06 H new ATOM 0 HG3 GLU A 121 170.675 -10.851 -4.290 1.00 1.06 H new ATOM 1891 N TYR A 122 167.026 -10.416 -0.727 1.00 0.50 N ATOM 1892 CA TYR A 122 165.894 -9.815 0.036 1.00 0.48 C ATOM 1893 C TYR A 122 166.431 -9.289 1.378 1.00 0.47 C ATOM 1894 O TYR A 122 166.192 -8.148 1.739 1.00 0.53 O ATOM 1895 CB TYR A 122 164.807 -10.897 0.248 1.00 0.52 C ATOM 1896 CG TYR A 122 163.768 -10.474 1.279 1.00 0.53 C ATOM 1897 CD1 TYR A 122 164.078 -10.510 2.645 1.00 1.31 C ATOM 1898 CD2 TYR A 122 162.489 -10.077 0.871 1.00 1.36 C ATOM 1899 CE1 TYR A 122 163.119 -10.150 3.598 1.00 1.41 C ATOM 1900 CE2 TYR A 122 161.530 -9.712 1.828 1.00 1.45 C ATOM 1901 CZ TYR A 122 161.845 -9.752 3.190 1.00 0.89 C ATOM 1902 OH TYR A 122 160.899 -9.399 4.131 1.00 1.13 O ATOM 0 H TYR A 122 166.942 -11.418 -0.897 1.00 0.50 H new ATOM 0 HA TYR A 122 165.449 -8.983 -0.509 1.00 0.48 H new ATOM 0 HB2 TYR A 122 164.312 -11.103 -0.701 1.00 0.52 H new ATOM 0 HB3 TYR A 122 165.279 -11.825 0.570 1.00 0.52 H new ATOM 0 HD1 TYR A 122 165.063 -10.817 2.964 1.00 1.31 H new ATOM 0 HD2 TYR A 122 162.241 -10.052 -0.180 1.00 1.36 H new ATOM 0 HE1 TYR A 122 163.365 -10.180 4.649 1.00 1.41 H new ATOM 0 HE2 TYR A 122 160.546 -9.399 1.512 1.00 1.45 H new ATOM 0 HH TYR A 122 160.067 -9.146 3.679 1.00 1.13 H new ATOM 1912 N ASP A 123 167.149 -10.123 2.110 1.00 0.46 N ATOM 1913 CA ASP A 123 167.710 -9.700 3.434 1.00 0.50 C ATOM 1914 C ASP A 123 168.678 -8.542 3.216 1.00 0.48 C ATOM 1915 O ASP A 123 168.724 -7.608 4.001 1.00 0.55 O ATOM 1916 CB ASP A 123 168.448 -10.877 4.088 1.00 0.61 C ATOM 1917 CG ASP A 123 168.536 -10.675 5.611 1.00 1.12 C ATOM 1918 OD1 ASP A 123 167.608 -10.120 6.184 1.00 1.95 O ATOM 1919 OD2 ASP A 123 169.531 -11.091 6.180 1.00 1.55 O ATOM 0 H ASP A 123 167.368 -11.082 1.840 1.00 0.46 H new ATOM 0 HA ASP A 123 166.900 -9.384 4.091 1.00 0.50 H new ATOM 0 HB2 ASP A 123 167.927 -11.809 3.868 1.00 0.61 H new ATOM 0 HB3 ASP A 123 169.450 -10.965 3.668 1.00 0.61 H new ATOM 1924 N ALA A 124 169.437 -8.600 2.144 1.00 0.45 N ATOM 1925 CA ALA A 124 170.406 -7.509 1.826 1.00 0.47 C ATOM 1926 C ALA A 124 169.631 -6.219 1.602 1.00 0.44 C ATOM 1927 O ALA A 124 169.974 -5.177 2.135 1.00 0.48 O ATOM 1928 CB ALA A 124 171.157 -7.860 0.550 1.00 0.52 C ATOM 0 H ALA A 124 169.423 -9.367 1.471 1.00 0.45 H new ATOM 0 HA ALA A 124 171.112 -7.389 2.647 1.00 0.47 H new ATOM 0 HB1 ALA A 124 171.865 -7.066 0.315 1.00 0.52 H new ATOM 0 HB2 ALA A 124 171.696 -8.797 0.691 1.00 0.52 H new ATOM 0 HB3 ALA A 124 170.448 -7.969 -0.271 1.00 0.52 H new ATOM 1934 N ALA A 125 168.574 -6.299 0.818 1.00 0.39 N ATOM 1935 CA ALA A 125 167.728 -5.101 0.537 1.00 0.41 C ATOM 1936 C ALA A 125 167.223 -4.536 1.864 1.00 0.41 C ATOM 1937 O ALA A 125 167.435 -3.380 2.169 1.00 0.47 O ATOM 1938 CB ALA A 125 166.541 -5.504 -0.346 1.00 0.41 C ATOM 0 H ALA A 125 168.264 -7.156 0.359 1.00 0.39 H new ATOM 0 HA ALA A 125 168.313 -4.345 0.014 1.00 0.41 H new ATOM 0 HB1 ALA A 125 165.925 -4.628 -0.550 1.00 0.41 H new ATOM 0 HB2 ALA A 125 166.910 -5.915 -1.286 1.00 0.41 H new ATOM 0 HB3 ALA A 125 165.943 -6.256 0.169 1.00 0.41 H new ATOM 1944 N TRP A 126 166.586 -5.362 2.670 1.00 0.39 N ATOM 1945 CA TRP A 126 166.074 -4.892 4.007 1.00 0.45 C ATOM 1946 C TRP A 126 167.236 -4.249 4.778 1.00 0.49 C ATOM 1947 O TRP A 126 167.154 -3.115 5.220 1.00 0.54 O ATOM 1948 CB TRP A 126 165.505 -6.092 4.798 1.00 0.48 C ATOM 1949 CG TRP A 126 165.242 -5.710 6.234 1.00 0.56 C ATOM 1950 CD1 TRP A 126 164.785 -4.504 6.648 1.00 1.10 C ATOM 1951 CD2 TRP A 126 165.426 -6.508 7.440 1.00 0.92 C ATOM 1952 NE1 TRP A 126 164.683 -4.511 8.026 1.00 0.98 N ATOM 1953 CE2 TRP A 126 165.064 -5.723 8.560 1.00 0.75 C ATOM 1954 CE3 TRP A 126 165.870 -7.820 7.669 1.00 1.81 C ATOM 1955 CZ2 TRP A 126 165.135 -6.223 9.860 1.00 1.16 C ATOM 1956 CZ3 TRP A 126 165.942 -8.328 8.976 1.00 2.39 C ATOM 1957 CH2 TRP A 126 165.578 -7.530 10.070 1.00 2.03 C ATOM 0 H TRP A 126 166.398 -6.342 2.460 1.00 0.39 H new ATOM 0 HA TRP A 126 165.278 -4.160 3.869 1.00 0.45 H new ATOM 0 HB2 TRP A 126 164.581 -6.435 4.333 1.00 0.48 H new ATOM 0 HB3 TRP A 126 166.208 -6.924 4.761 1.00 0.48 H new ATOM 0 HD1 TRP A 126 164.540 -3.672 6.005 1.00 1.10 H new ATOM 0 HE1 TRP A 126 164.365 -3.716 8.580 1.00 0.98 H new ATOM 0 HE3 TRP A 126 166.158 -8.442 6.835 1.00 1.81 H new ATOM 0 HZ2 TRP A 126 164.849 -5.604 10.698 1.00 1.16 H new ATOM 0 HZ3 TRP A 126 166.280 -9.341 9.140 1.00 2.39 H new ATOM 0 HH2 TRP A 126 165.640 -7.926 11.073 1.00 2.03 H new ATOM 1968 N ASN A 127 168.304 -4.989 4.928 1.00 0.48 N ATOM 1969 CA ASN A 127 169.507 -4.483 5.662 1.00 0.54 C ATOM 1970 C ASN A 127 170.041 -3.197 5.025 1.00 0.55 C ATOM 1971 O ASN A 127 170.811 -2.486 5.652 1.00 0.60 O ATOM 1972 CB ASN A 127 170.598 -5.556 5.653 1.00 0.59 C ATOM 1973 CG ASN A 127 170.372 -6.532 6.812 1.00 0.79 C ATOM 1974 OD1 ASN A 127 170.368 -7.731 6.619 1.00 1.46 O ATOM 1975 ND2 ASN A 127 170.189 -6.066 8.020 1.00 1.14 N ATOM 0 H ASN A 127 168.396 -5.939 4.567 1.00 0.48 H new ATOM 0 HA ASN A 127 169.216 -4.259 6.688 1.00 0.54 H new ATOM 0 HB2 ASN A 127 170.585 -6.093 4.705 1.00 0.59 H new ATOM 0 HB3 ASN A 127 171.580 -5.091 5.743 1.00 0.59 H new ATOM 0 HD21 ASN A 127 170.043 -6.709 8.798 1.00 1.14 H new ATOM 0 HD22 ASN A 127 170.192 -5.059 8.184 1.00 1.14 H new ATOM 1982 N SER A 128 169.650 -2.884 3.799 1.00 0.52 N ATOM 1983 CA SER A 128 170.146 -1.641 3.153 1.00 0.56 C ATOM 1984 C SER A 128 169.446 -0.429 3.762 1.00 0.57 C ATOM 1985 O SER A 128 168.658 -0.545 4.686 1.00 0.56 O ATOM 1986 CB SER A 128 169.908 -1.683 1.639 1.00 0.56 C ATOM 1987 OG SER A 128 170.762 -2.658 1.056 1.00 1.35 O ATOM 0 H SER A 128 169.012 -3.442 3.232 1.00 0.52 H new ATOM 0 HA SER A 128 171.219 -1.562 3.327 1.00 0.56 H new ATOM 0 HB2 SER A 128 168.866 -1.924 1.430 1.00 0.56 H new ATOM 0 HB3 SER A 128 170.103 -0.704 1.201 1.00 0.56 H new ATOM 0 HG SER A 128 170.528 -3.545 1.400 1.00 1.35 H new ATOM 1993 N PHE A 129 169.768 0.729 3.253 1.00 0.59 N ATOM 1994 CA PHE A 129 169.190 2.010 3.771 1.00 0.62 C ATOM 1995 C PHE A 129 167.921 2.375 3.029 1.00 0.59 C ATOM 1996 O PHE A 129 166.975 2.855 3.636 1.00 0.59 O ATOM 1997 CB PHE A 129 170.218 3.135 3.593 1.00 0.68 C ATOM 1998 CG PHE A 129 171.005 3.316 4.868 1.00 1.31 C ATOM 1999 CD1 PHE A 129 170.366 3.777 6.025 1.00 2.26 C ATOM 2000 CD2 PHE A 129 172.371 3.028 4.890 1.00 1.98 C ATOM 2001 CE1 PHE A 129 171.096 3.946 7.207 1.00 3.09 C ATOM 2002 CE2 PHE A 129 173.103 3.197 6.071 1.00 2.82 C ATOM 2003 CZ PHE A 129 172.466 3.654 7.228 1.00 3.19 C ATOM 0 H PHE A 129 170.424 0.847 2.481 1.00 0.59 H new ATOM 0 HA PHE A 129 168.948 1.878 4.826 1.00 0.62 H new ATOM 0 HB2 PHE A 129 170.892 2.897 2.770 1.00 0.68 H new ATOM 0 HB3 PHE A 129 169.712 4.065 3.332 1.00 0.68 H new ATOM 0 HD1 PHE A 129 169.310 4.002 6.006 1.00 2.26 H new ATOM 0 HD2 PHE A 129 172.863 2.675 3.996 1.00 1.98 H new ATOM 0 HE1 PHE A 129 170.604 4.301 8.101 1.00 3.09 H new ATOM 0 HE2 PHE A 129 174.160 2.974 6.088 1.00 2.82 H new ATOM 0 HZ PHE A 129 173.031 3.782 8.140 1.00 3.19 H new ATOM 2013 N VAL A 130 167.901 2.185 1.738 1.00 0.60 N ATOM 2014 CA VAL A 130 166.696 2.565 0.959 1.00 0.60 C ATOM 2015 C VAL A 130 165.496 1.706 1.385 1.00 0.54 C ATOM 2016 O VAL A 130 164.413 2.225 1.614 1.00 0.52 O ATOM 2017 CB VAL A 130 166.976 2.413 -0.548 1.00 0.67 C ATOM 2018 CG1 VAL A 130 165.704 2.708 -1.360 1.00 0.66 C ATOM 2019 CG2 VAL A 130 168.076 3.400 -0.954 1.00 0.79 C ATOM 0 H VAL A 130 168.665 1.785 1.194 1.00 0.60 H new ATOM 0 HA VAL A 130 166.454 3.608 1.160 1.00 0.60 H new ATOM 0 HB VAL A 130 167.295 1.391 -0.751 1.00 0.67 H new ATOM 0 HG11 VAL A 130 165.917 2.597 -2.423 1.00 0.66 H new ATOM 0 HG12 VAL A 130 164.918 2.009 -1.072 1.00 0.66 H new ATOM 0 HG13 VAL A 130 165.374 3.727 -1.161 1.00 0.66 H new ATOM 0 HG21 VAL A 130 168.280 3.299 -2.020 1.00 0.79 H new ATOM 0 HG22 VAL A 130 167.748 4.418 -0.742 1.00 0.79 H new ATOM 0 HG23 VAL A 130 168.983 3.186 -0.389 1.00 0.79 H new ATOM 2029 N VAL A 131 165.684 0.410 1.489 1.00 0.54 N ATOM 2030 CA VAL A 131 164.558 -0.493 1.895 1.00 0.52 C ATOM 2031 C VAL A 131 164.182 -0.186 3.341 1.00 0.49 C ATOM 2032 O VAL A 131 163.015 -0.207 3.705 1.00 0.48 O ATOM 2033 CB VAL A 131 164.990 -1.953 1.775 1.00 0.59 C ATOM 2034 CG1 VAL A 131 163.756 -2.853 1.857 1.00 0.82 C ATOM 2035 CG2 VAL A 131 165.696 -2.171 0.429 1.00 0.78 C ATOM 0 H VAL A 131 166.570 -0.062 1.310 1.00 0.54 H new ATOM 0 HA VAL A 131 163.700 -0.327 1.243 1.00 0.52 H new ATOM 0 HB VAL A 131 165.676 -2.199 2.586 1.00 0.59 H new ATOM 0 HG11 VAL A 131 164.060 -3.896 1.772 1.00 0.82 H new ATOM 0 HG12 VAL A 131 163.255 -2.698 2.813 1.00 0.82 H new ATOM 0 HG13 VAL A 131 163.072 -2.607 1.045 1.00 0.82 H new ATOM 0 HG21 VAL A 131 166.004 -3.213 0.344 1.00 0.78 H new ATOM 0 HG22 VAL A 131 165.012 -1.927 -0.384 1.00 0.78 H new ATOM 0 HG23 VAL A 131 166.574 -1.527 0.370 1.00 0.78 H new ATOM 2045 N LYS A 132 165.171 0.110 4.156 1.00 0.51 N ATOM 2046 CA LYS A 132 164.917 0.442 5.589 1.00 0.54 C ATOM 2047 C LYS A 132 164.191 1.787 5.665 1.00 0.51 C ATOM 2048 O LYS A 132 163.321 1.983 6.496 1.00 0.53 O ATOM 2049 CB LYS A 132 166.249 0.541 6.332 1.00 0.61 C ATOM 2050 CG LYS A 132 165.978 0.674 7.829 1.00 0.90 C ATOM 2051 CD LYS A 132 167.304 0.794 8.577 1.00 1.35 C ATOM 2052 CE LYS A 132 167.145 0.232 9.990 1.00 1.72 C ATOM 2053 NZ LYS A 132 168.156 0.850 10.894 1.00 2.39 N ATOM 0 H LYS A 132 166.153 0.135 3.881 1.00 0.51 H new ATOM 0 HA LYS A 132 164.305 -0.336 6.046 1.00 0.54 H new ATOM 0 HB2 LYS A 132 166.855 -0.344 6.137 1.00 0.61 H new ATOM 0 HB3 LYS A 132 166.816 1.401 5.975 1.00 0.61 H new ATOM 0 HG2 LYS A 132 165.359 1.550 8.021 1.00 0.90 H new ATOM 0 HG3 LYS A 132 165.423 -0.193 8.188 1.00 0.90 H new ATOM 0 HD2 LYS A 132 168.085 0.251 8.044 1.00 1.35 H new ATOM 0 HD3 LYS A 132 167.615 1.838 8.622 1.00 1.35 H new ATOM 0 HE2 LYS A 132 166.140 0.434 10.361 1.00 1.72 H new ATOM 0 HE3 LYS A 132 167.269 -0.851 9.977 1.00 1.72 H new ATOM 0 HZ1 LYS A 132 168.045 0.465 11.854 1.00 2.39 H new ATOM 0 HZ2 LYS A 132 169.112 0.636 10.544 1.00 2.39 H new ATOM 0 HZ3 LYS A 132 168.018 1.881 10.916 1.00 2.39 H new ATOM 2067 N SER A 133 164.549 2.707 4.789 1.00 0.50 N ATOM 2068 CA SER A 133 163.897 4.054 4.772 1.00 0.53 C ATOM 2069 C SER A 133 162.411 3.881 4.457 1.00 0.50 C ATOM 2070 O SER A 133 161.574 4.608 4.967 1.00 0.51 O ATOM 2071 CB SER A 133 164.553 4.930 3.702 1.00 0.58 C ATOM 2072 OG SER A 133 164.662 6.262 4.185 1.00 1.43 O ATOM 0 H SER A 133 165.272 2.575 4.082 1.00 0.50 H new ATOM 0 HA SER A 133 164.014 4.533 5.744 1.00 0.53 H new ATOM 0 HB2 SER A 133 165.540 4.540 3.452 1.00 0.58 H new ATOM 0 HB3 SER A 133 163.961 4.910 2.787 1.00 0.58 H new ATOM 0 HG SER A 133 165.083 6.824 3.502 1.00 1.43 H new ATOM 2078 N LEU A 134 162.088 2.902 3.635 1.00 0.50 N ATOM 2079 CA LEU A 134 160.662 2.633 3.281 1.00 0.49 C ATOM 2080 C LEU A 134 160.007 1.871 4.438 1.00 0.47 C ATOM 2081 O LEU A 134 158.805 1.958 4.638 1.00 0.50 O ATOM 2082 CB LEU A 134 160.597 1.797 1.992 1.00 0.53 C ATOM 2083 CG LEU A 134 159.967 2.629 0.860 1.00 0.74 C ATOM 2084 CD1 LEU A 134 160.805 2.489 -0.418 1.00 1.36 C ATOM 2085 CD2 LEU A 134 158.540 2.138 0.597 1.00 1.20 C ATOM 0 H LEU A 134 162.762 2.276 3.194 1.00 0.50 H new ATOM 0 HA LEU A 134 160.133 3.571 3.113 1.00 0.49 H new ATOM 0 HB2 LEU A 134 161.598 1.476 1.705 1.00 0.53 H new ATOM 0 HB3 LEU A 134 160.010 0.895 2.162 1.00 0.53 H new ATOM 0 HG LEU A 134 159.941 3.678 1.156 1.00 0.74 H new ATOM 0 HD11 LEU A 134 160.354 3.080 -1.215 1.00 1.36 H new ATOM 0 HD12 LEU A 134 161.818 2.846 -0.230 1.00 1.36 H new ATOM 0 HD13 LEU A 134 160.839 1.442 -0.718 1.00 1.36 H new ATOM 0 HD21 LEU A 134 158.094 2.727 -0.204 1.00 1.20 H new ATOM 0 HD22 LEU A 134 158.564 1.088 0.305 1.00 1.20 H new ATOM 0 HD23 LEU A 134 157.944 2.249 1.503 1.00 1.20 H new ATOM 2097 N VAL A 135 160.800 1.144 5.211 1.00 0.48 N ATOM 2098 CA VAL A 135 160.261 0.387 6.372 1.00 0.51 C ATOM 2099 C VAL A 135 159.938 1.401 7.464 1.00 0.51 C ATOM 2100 O VAL A 135 158.860 1.387 8.035 1.00 0.54 O ATOM 2101 CB VAL A 135 161.320 -0.631 6.856 1.00 0.57 C ATOM 2102 CG1 VAL A 135 161.025 -1.114 8.289 1.00 0.63 C ATOM 2103 CG2 VAL A 135 161.309 -1.838 5.920 1.00 0.64 C ATOM 0 H VAL A 135 161.806 1.051 5.073 1.00 0.48 H new ATOM 0 HA VAL A 135 159.362 -0.168 6.105 1.00 0.51 H new ATOM 0 HB VAL A 135 162.293 -0.140 6.851 1.00 0.57 H new ATOM 0 HG11 VAL A 135 161.789 -1.828 8.597 1.00 0.63 H new ATOM 0 HG12 VAL A 135 161.030 -0.262 8.969 1.00 0.63 H new ATOM 0 HG13 VAL A 135 160.047 -1.594 8.317 1.00 0.63 H new ATOM 0 HG21 VAL A 135 162.052 -2.563 6.252 1.00 0.64 H new ATOM 0 HG22 VAL A 135 160.322 -2.299 5.933 1.00 0.64 H new ATOM 0 HG23 VAL A 135 161.545 -1.514 4.906 1.00 0.64 H new ATOM 2113 N ALA A 136 160.874 2.286 7.740 1.00 0.52 N ATOM 2114 CA ALA A 136 160.660 3.332 8.781 1.00 0.56 C ATOM 2115 C ALA A 136 159.418 4.151 8.411 1.00 0.55 C ATOM 2116 O ALA A 136 158.475 4.223 9.177 1.00 0.57 O ATOM 2117 CB ALA A 136 161.879 4.246 8.839 1.00 0.60 C ATOM 0 H ALA A 136 161.784 2.322 7.280 1.00 0.52 H new ATOM 0 HA ALA A 136 160.516 2.865 9.755 1.00 0.56 H new ATOM 0 HB1 ALA A 136 161.724 5.011 9.600 1.00 0.60 H new ATOM 0 HB2 ALA A 136 162.762 3.659 9.090 1.00 0.60 H new ATOM 0 HB3 ALA A 136 162.023 4.722 7.869 1.00 0.60 H new ATOM 2123 N GLN A 137 159.416 4.747 7.229 1.00 0.55 N ATOM 2124 CA GLN A 137 158.232 5.553 6.777 1.00 0.57 C ATOM 2125 C GLN A 137 156.989 4.649 6.723 1.00 0.56 C ATOM 2126 O GLN A 137 155.871 5.135 6.786 1.00 0.60 O ATOM 2127 CB GLN A 137 158.502 6.164 5.390 1.00 0.57 C ATOM 2128 CG GLN A 137 157.662 7.439 5.207 1.00 0.74 C ATOM 2129 CD GLN A 137 158.531 8.554 4.622 1.00 1.56 C ATOM 2130 OE1 GLN A 137 158.789 9.545 5.276 1.00 2.43 O ATOM 2131 NE2 GLN A 137 158.992 8.435 3.408 1.00 2.20 N ATOM 0 H GLN A 137 160.186 4.706 6.562 1.00 0.55 H new ATOM 0 HA GLN A 137 158.059 6.364 7.485 1.00 0.57 H new ATOM 0 HB2 GLN A 137 159.561 6.398 5.286 1.00 0.57 H new ATOM 0 HB3 GLN A 137 158.257 5.442 4.611 1.00 0.57 H new ATOM 0 HG2 GLN A 137 156.819 7.238 4.546 1.00 0.74 H new ATOM 0 HG3 GLN A 137 157.248 7.753 6.165 1.00 0.74 H new ATOM 0 HE21 GLN A 137 158.775 7.603 2.859 1.00 2.20 H new ATOM 0 HE22 GLN A 137 159.569 9.174 3.007 1.00 2.20 H new ATOM 2140 N GLN A 138 157.178 3.341 6.625 1.00 0.54 N ATOM 2141 CA GLN A 138 156.011 2.398 6.589 1.00 0.55 C ATOM 2142 C GLN A 138 155.389 2.350 7.980 1.00 0.59 C ATOM 2143 O GLN A 138 154.260 2.791 8.194 1.00 0.61 O ATOM 2144 CB GLN A 138 156.490 0.997 6.185 1.00 0.55 C ATOM 2145 CG GLN A 138 156.020 0.668 4.761 1.00 0.87 C ATOM 2146 CD GLN A 138 154.934 -0.412 4.815 1.00 1.83 C ATOM 2147 OE1 GLN A 138 155.143 -1.515 4.351 1.00 2.49 O ATOM 2148 NE2 GLN A 138 153.780 -0.149 5.369 1.00 2.63 N ATOM 0 H GLN A 138 158.093 2.893 6.569 1.00 0.54 H new ATOM 0 HA GLN A 138 155.274 2.739 5.862 1.00 0.55 H new ATOM 0 HB2 GLN A 138 157.578 0.947 6.238 1.00 0.55 H new ATOM 0 HB3 GLN A 138 156.102 0.256 6.884 1.00 0.55 H new ATOM 0 HG2 GLN A 138 155.631 1.565 4.279 1.00 0.87 H new ATOM 0 HG3 GLN A 138 156.861 0.322 4.160 1.00 0.87 H new ATOM 0 HE21 GLN A 138 153.601 0.776 5.760 1.00 2.63 H new ATOM 0 HE22 GLN A 138 153.058 -0.869 5.411 1.00 2.63 H new ATOM 2157 N GLU A 139 156.139 1.838 8.933 1.00 0.64 N ATOM 2158 CA GLU A 139 155.655 1.758 10.345 1.00 0.71 C ATOM 2159 C GLU A 139 155.186 3.148 10.784 1.00 0.73 C ATOM 2160 O GLU A 139 154.276 3.279 11.589 1.00 0.78 O ATOM 2161 CB GLU A 139 156.803 1.288 11.246 1.00 0.78 C ATOM 2162 CG GLU A 139 156.329 0.122 12.115 1.00 1.26 C ATOM 2163 CD GLU A 139 157.347 -0.139 13.223 1.00 1.87 C ATOM 2164 OE1 GLU A 139 157.680 0.801 13.926 1.00 2.33 O ATOM 2165 OE2 GLU A 139 157.774 -1.273 13.351 1.00 2.56 O ATOM 0 H GLU A 139 157.078 1.468 8.785 1.00 0.64 H new ATOM 0 HA GLU A 139 154.828 1.052 10.421 1.00 0.71 H new ATOM 0 HB2 GLU A 139 157.653 0.979 10.638 1.00 0.78 H new ATOM 0 HB3 GLU A 139 157.144 2.109 11.876 1.00 0.78 H new ATOM 0 HG2 GLU A 139 155.355 0.351 12.549 1.00 1.26 H new ATOM 0 HG3 GLU A 139 156.204 -0.772 11.504 1.00 1.26 H new ATOM 2172 N LYS A 140 155.801 4.179 10.234 1.00 0.72 N ATOM 2173 CA LYS A 140 155.403 5.570 10.580 1.00 0.77 C ATOM 2174 C LYS A 140 154.060 5.862 9.931 1.00 0.71 C ATOM 2175 O LYS A 140 153.156 6.300 10.594 1.00 0.75 O ATOM 2176 CB LYS A 140 156.449 6.574 10.075 1.00 0.81 C ATOM 2177 CG LYS A 140 156.910 7.451 11.242 1.00 1.06 C ATOM 2178 CD LYS A 140 158.091 8.319 10.804 1.00 1.52 C ATOM 2179 CE LYS A 140 159.091 8.437 11.954 1.00 2.00 C ATOM 2180 NZ LYS A 140 160.203 9.339 11.554 1.00 2.61 N ATOM 0 H LYS A 140 156.563 4.105 9.559 1.00 0.72 H new ATOM 0 HA LYS A 140 155.332 5.668 11.663 1.00 0.77 H new ATOM 0 HB2 LYS A 140 157.299 6.046 9.644 1.00 0.81 H new ATOM 0 HB3 LYS A 140 156.024 7.193 9.285 1.00 0.81 H new ATOM 0 HG2 LYS A 140 156.089 8.083 11.581 1.00 1.06 H new ATOM 0 HG3 LYS A 140 157.200 6.826 12.086 1.00 1.06 H new ATOM 0 HD2 LYS A 140 158.574 7.880 9.931 1.00 1.52 H new ATOM 0 HD3 LYS A 140 157.740 9.308 10.510 1.00 1.52 H new ATOM 0 HE2 LYS A 140 158.595 8.826 12.843 1.00 2.00 H new ATOM 0 HE3 LYS A 140 159.482 7.453 12.212 1.00 2.00 H new ATOM 0 HZ1 LYS A 140 160.883 9.419 12.336 1.00 2.61 H new ATOM 0 HZ2 LYS A 140 160.682 8.949 10.717 1.00 2.61 H new ATOM 0 HZ3 LYS A 140 159.822 10.280 11.328 1.00 2.61 H new ATOM 2194 N ALA A 141 153.929 5.613 8.636 1.00 0.64 N ATOM 2195 CA ALA A 141 152.635 5.874 7.906 1.00 0.60 C ATOM 2196 C ALA A 141 151.438 5.423 8.752 1.00 0.61 C ATOM 2197 O ALA A 141 150.554 6.215 9.066 1.00 0.65 O ATOM 2198 CB ALA A 141 152.635 5.102 6.582 1.00 0.55 C ATOM 0 H ALA A 141 154.674 5.236 8.051 1.00 0.64 H new ATOM 0 HA ALA A 141 152.550 6.944 7.717 1.00 0.60 H new ATOM 0 HB1 ALA A 141 151.701 5.289 6.052 1.00 0.55 H new ATOM 0 HB2 ALA A 141 153.473 5.433 5.968 1.00 0.55 H new ATOM 0 HB3 ALA A 141 152.731 4.035 6.783 1.00 0.55 H new ATOM 2204 N ALA A 142 151.425 4.164 9.135 1.00 0.61 N ATOM 2205 CA ALA A 142 150.303 3.634 9.976 1.00 0.65 C ATOM 2206 C ALA A 142 150.392 4.209 11.399 1.00 0.77 C ATOM 2207 O ALA A 142 149.399 4.265 12.105 1.00 0.85 O ATOM 2208 CB ALA A 142 150.383 2.108 10.042 1.00 0.69 C ATOM 0 H ALA A 142 152.145 3.481 8.900 1.00 0.61 H new ATOM 0 HA ALA A 142 149.356 3.932 9.526 1.00 0.65 H new ATOM 0 HB1 ALA A 142 149.566 1.727 10.654 1.00 0.69 H new ATOM 0 HB2 ALA A 142 150.306 1.696 9.036 1.00 0.69 H new ATOM 0 HB3 ALA A 142 151.335 1.812 10.483 1.00 0.69 H new ATOM 2214 N ALA A 143 151.576 4.614 11.826 1.00 0.81 N ATOM 2215 CA ALA A 143 151.749 5.165 13.215 1.00 0.93 C ATOM 2216 C ALA A 143 151.418 6.667 13.271 1.00 0.94 C ATOM 2217 O ALA A 143 151.126 7.189 14.336 1.00 1.05 O ATOM 2218 CB ALA A 143 153.193 4.951 13.669 1.00 0.99 C ATOM 0 H ALA A 143 152.430 4.585 11.268 1.00 0.81 H new ATOM 0 HA ALA A 143 151.060 4.639 13.876 1.00 0.93 H new ATOM 0 HB1 ALA A 143 153.321 5.350 14.675 1.00 0.99 H new ATOM 0 HB2 ALA A 143 153.420 3.885 13.669 1.00 0.99 H new ATOM 0 HB3 ALA A 143 153.869 5.466 12.986 1.00 0.99 H new ATOM 2224 N ASP A 144 151.458 7.356 12.147 1.00 0.87 N ATOM 2225 CA ASP A 144 151.144 8.824 12.132 1.00 0.93 C ATOM 2226 C ASP A 144 149.634 8.974 12.034 1.00 0.92 C ATOM 2227 O ASP A 144 149.019 9.659 12.834 1.00 1.03 O ATOM 2228 CB ASP A 144 151.790 9.527 10.925 1.00 0.91 C ATOM 2229 CG ASP A 144 153.192 8.981 10.653 1.00 1.42 C ATOM 2230 OD1 ASP A 144 153.949 8.839 11.598 1.00 2.23 O ATOM 2231 OD2 ASP A 144 153.484 8.712 9.498 1.00 2.03 O ATOM 0 H ASP A 144 151.696 6.960 11.237 1.00 0.87 H new ATOM 0 HA ASP A 144 151.538 9.281 13.040 1.00 0.93 H new ATOM 0 HB2 ASP A 144 151.165 9.388 10.043 1.00 0.91 H new ATOM 0 HB3 ASP A 144 151.844 10.600 11.112 1.00 0.91 H new ATOM 2236 N VAL A 145 149.040 8.313 11.061 1.00 0.82 N ATOM 2237 CA VAL A 145 147.555 8.373 10.892 1.00 0.84 C ATOM 2238 C VAL A 145 146.891 7.400 11.877 1.00 0.87 C ATOM 2239 O VAL A 145 145.716 7.524 12.172 1.00 0.92 O ATOM 2240 CB VAL A 145 147.179 7.987 9.454 1.00 0.78 C ATOM 2241 CG1 VAL A 145 147.859 8.950 8.477 1.00 0.79 C ATOM 2242 CG2 VAL A 145 147.623 6.540 9.154 1.00 0.77 C ATOM 0 H VAL A 145 149.526 7.734 10.377 1.00 0.82 H new ATOM 0 HA VAL A 145 147.209 9.387 11.091 1.00 0.84 H new ATOM 0 HB VAL A 145 146.097 8.051 9.339 1.00 0.78 H new ATOM 0 HG11 VAL A 145 147.594 8.679 7.455 1.00 0.79 H new ATOM 0 HG12 VAL A 145 147.527 9.968 8.680 1.00 0.79 H new ATOM 0 HG13 VAL A 145 148.940 8.889 8.600 1.00 0.79 H new ATOM 0 HG21 VAL A 145 147.350 6.280 8.131 1.00 0.77 H new ATOM 0 HG22 VAL A 145 148.703 6.459 9.273 1.00 0.77 H new ATOM 0 HG23 VAL A 145 147.130 5.857 9.846 1.00 0.77 H new ATOM 2252 N GLN A 146 147.647 6.419 12.359 1.00 0.87 N ATOM 2253 CA GLN A 146 147.129 5.375 13.317 1.00 0.94 C ATOM 2254 C GLN A 146 146.498 4.226 12.531 1.00 0.88 C ATOM 2255 O GLN A 146 146.722 3.069 12.844 1.00 0.94 O ATOM 2256 CB GLN A 146 146.099 5.953 14.306 1.00 1.04 C ATOM 2257 CG GLN A 146 146.385 5.428 15.718 1.00 1.32 C ATOM 2258 CD GLN A 146 146.110 6.534 16.741 1.00 1.58 C ATOM 2259 OE1 GLN A 146 146.468 7.677 16.529 1.00 2.17 O ATOM 2260 NE2 GLN A 146 145.486 6.244 17.849 1.00 2.12 N ATOM 0 H GLN A 146 148.631 6.301 12.116 1.00 0.87 H new ATOM 0 HA GLN A 146 147.976 5.013 13.899 1.00 0.94 H new ATOM 0 HB2 GLN A 146 146.144 7.042 14.297 1.00 1.04 H new ATOM 0 HB3 GLN A 146 145.091 5.673 14.001 1.00 1.04 H new ATOM 0 HG2 GLN A 146 145.760 4.560 15.928 1.00 1.32 H new ATOM 0 HG3 GLN A 146 147.422 5.099 15.792 1.00 1.32 H new ATOM 0 HE21 GLN A 146 145.185 5.286 18.029 1.00 2.12 H new ATOM 0 HE22 GLN A 146 145.299 6.975 18.535 1.00 2.12 H new ATOM 2269 N LEU A 147 145.719 4.545 11.519 1.00 0.80 N ATOM 2270 CA LEU A 147 145.053 3.501 10.679 1.00 0.74 C ATOM 2271 C LEU A 147 144.046 2.743 11.556 1.00 0.86 C ATOM 2272 O LEU A 147 144.331 2.468 12.712 1.00 1.04 O ATOM 2273 CB LEU A 147 146.120 2.559 10.109 1.00 0.71 C ATOM 2274 CG LEU A 147 145.485 1.506 9.209 1.00 0.68 C ATOM 2275 CD1 LEU A 147 144.761 2.167 8.022 1.00 0.64 C ATOM 2276 CD2 LEU A 147 146.600 0.599 8.699 1.00 0.74 C ATOM 0 H LEU A 147 145.516 5.504 11.238 1.00 0.80 H new ATOM 0 HA LEU A 147 144.519 3.952 9.842 1.00 0.74 H new ATOM 0 HB2 LEU A 147 146.854 3.133 9.543 1.00 0.71 H new ATOM 0 HB3 LEU A 147 146.655 2.072 10.924 1.00 0.71 H new ATOM 0 HG LEU A 147 144.747 0.933 9.770 1.00 0.68 H new ATOM 0 HD11 LEU A 147 144.315 1.397 7.393 1.00 0.64 H new ATOM 0 HD12 LEU A 147 143.979 2.828 8.395 1.00 0.64 H new ATOM 0 HD13 LEU A 147 145.476 2.745 7.436 1.00 0.64 H new ATOM 0 HD21 LEU A 147 146.177 -0.168 8.050 1.00 0.74 H new ATOM 0 HD22 LEU A 147 147.323 1.191 8.138 1.00 0.74 H new ATOM 0 HD23 LEU A 147 147.098 0.124 9.544 1.00 0.74 H new ATOM 2288 N ARG A 148 142.854 2.446 11.047 1.00 0.82 N ATOM 2289 CA ARG A 148 141.832 1.766 11.900 1.00 0.97 C ATOM 2290 C ARG A 148 140.752 1.064 11.055 1.00 0.85 C ATOM 2291 O ARG A 148 139.635 0.872 11.520 1.00 0.91 O ATOM 2292 CB ARG A 148 141.180 2.846 12.764 1.00 1.16 C ATOM 2293 CG ARG A 148 140.577 2.219 14.017 1.00 1.83 C ATOM 2294 CD ARG A 148 139.522 3.163 14.599 1.00 2.31 C ATOM 2295 NE ARG A 148 139.784 3.381 16.045 1.00 2.94 N ATOM 2296 CZ ARG A 148 138.789 3.634 16.841 1.00 3.50 C ATOM 2297 NH1 ARG A 148 138.378 4.860 16.982 1.00 3.93 N ATOM 2298 NH2 ARG A 148 138.193 2.662 17.480 1.00 4.08 N ATOM 0 H ARG A 148 142.561 2.647 10.091 1.00 0.82 H new ATOM 0 HA ARG A 148 142.315 0.998 12.503 1.00 0.97 H new ATOM 0 HB2 ARG A 148 141.920 3.596 13.043 1.00 1.16 H new ATOM 0 HB3 ARG A 148 140.405 3.359 12.195 1.00 1.16 H new ATOM 0 HG2 ARG A 148 140.126 1.257 13.775 1.00 1.83 H new ATOM 0 HG3 ARG A 148 141.357 2.029 14.754 1.00 1.83 H new ATOM 0 HD2 ARG A 148 139.541 4.115 14.069 1.00 2.31 H new ATOM 0 HD3 ARG A 148 138.527 2.741 14.460 1.00 2.31 H new ATOM 0 HE ARG A 148 140.736 3.333 16.409 1.00 2.94 H new ATOM 0 HH11 ARG A 148 138.836 5.614 16.470 1.00 3.93 H new ATOM 0 HH12 ARG A 148 137.597 5.068 17.605 1.00 3.93 H new ATOM 0 HH21 ARG A 148 138.509 1.700 17.355 1.00 4.08 H new ATOM 0 HH22 ARG A 148 137.412 2.865 18.104 1.00 4.08 H new ATOM 2312 N GLY A 149 141.065 0.669 9.834 1.00 0.72 N ATOM 2313 CA GLY A 149 140.039 -0.028 8.986 1.00 0.66 C ATOM 2314 C GLY A 149 140.484 -0.085 7.525 1.00 0.56 C ATOM 2315 O GLY A 149 140.411 0.901 6.811 1.00 0.50 O ATOM 0 H GLY A 149 141.977 0.799 9.395 1.00 0.72 H new ATOM 0 HA2 GLY A 149 139.878 -1.039 9.361 1.00 0.66 H new ATOM 0 HA3 GLY A 149 139.085 0.495 9.059 1.00 0.66 H new ATOM 2319 N VAL A 150 140.911 -1.246 7.079 1.00 0.65 N ATOM 2320 CA VAL A 150 141.342 -1.407 5.645 1.00 0.59 C ATOM 2321 C VAL A 150 140.120 -1.752 4.768 1.00 0.58 C ATOM 2322 O VAL A 150 139.290 -2.537 5.188 1.00 0.68 O ATOM 2323 CB VAL A 150 142.410 -2.500 5.457 1.00 0.75 C ATOM 2324 CG1 VAL A 150 143.799 -1.874 5.537 1.00 0.92 C ATOM 2325 CG2 VAL A 150 142.301 -3.573 6.528 1.00 0.75 C ATOM 0 H VAL A 150 140.981 -2.091 7.645 1.00 0.65 H new ATOM 0 HA VAL A 150 141.784 -0.457 5.344 1.00 0.59 H new ATOM 0 HB VAL A 150 142.249 -2.960 4.482 1.00 0.75 H new ATOM 0 HG11 VAL A 150 144.555 -2.648 5.404 1.00 0.92 H new ATOM 0 HG12 VAL A 150 143.906 -1.124 4.753 1.00 0.92 H new ATOM 0 HG13 VAL A 150 143.930 -1.402 6.511 1.00 0.92 H new ATOM 0 HG21 VAL A 150 143.069 -4.329 6.365 1.00 0.75 H new ATOM 0 HG22 VAL A 150 142.438 -3.122 7.511 1.00 0.75 H new ATOM 0 HG23 VAL A 150 141.317 -4.039 6.477 1.00 0.75 H new ATOM 2335 N PRO A 151 140.036 -1.171 3.567 1.00 0.53 N ATOM 2336 CA PRO A 151 141.029 -0.208 3.028 1.00 0.45 C ATOM 2337 C PRO A 151 140.832 1.174 3.689 1.00 0.42 C ATOM 2338 O PRO A 151 139.710 1.538 4.008 1.00 0.46 O ATOM 2339 CB PRO A 151 140.699 -0.142 1.535 1.00 0.50 C ATOM 2340 CG PRO A 151 139.231 -0.597 1.393 1.00 0.60 C ATOM 2341 CD PRO A 151 138.915 -1.444 2.637 1.00 0.63 C ATOM 0 HA PRO A 151 142.061 -0.503 3.216 1.00 0.45 H new ATOM 0 HB2 PRO A 151 140.831 0.870 1.152 1.00 0.50 H new ATOM 0 HB3 PRO A 151 141.363 -0.788 0.961 1.00 0.50 H new ATOM 0 HG2 PRO A 151 138.563 0.262 1.328 1.00 0.60 H new ATOM 0 HG3 PRO A 151 139.091 -1.179 0.482 1.00 0.60 H new ATOM 0 HD2 PRO A 151 137.958 -1.163 3.076 1.00 0.63 H new ATOM 0 HD3 PRO A 151 138.853 -2.504 2.390 1.00 0.63 H new ATOM 2349 N ALA A 152 141.892 1.951 3.888 1.00 0.44 N ATOM 2350 CA ALA A 152 141.744 3.305 4.513 1.00 0.48 C ATOM 2351 C ALA A 152 142.506 4.309 3.658 1.00 0.47 C ATOM 2352 O ALA A 152 143.495 3.962 3.031 1.00 0.54 O ATOM 2353 CB ALA A 152 142.344 3.292 5.921 1.00 0.57 C ATOM 0 H ALA A 152 142.848 1.696 3.641 1.00 0.44 H new ATOM 0 HA ALA A 152 140.690 3.574 4.575 1.00 0.48 H new ATOM 0 HB1 ALA A 152 142.235 4.278 6.372 1.00 0.57 H new ATOM 0 HB2 ALA A 152 141.824 2.554 6.531 1.00 0.57 H new ATOM 0 HB3 ALA A 152 143.402 3.035 5.863 1.00 0.57 H new ATOM 2359 N MET A 153 142.058 5.544 3.632 1.00 0.50 N ATOM 2360 CA MET A 153 142.759 6.580 2.821 1.00 0.50 C ATOM 2361 C MET A 153 142.808 7.897 3.589 1.00 0.51 C ATOM 2362 O MET A 153 141.847 8.272 4.235 1.00 0.61 O ATOM 2363 CB MET A 153 142.038 6.783 1.488 1.00 0.55 C ATOM 2364 CG MET A 153 143.005 7.403 0.475 1.00 0.80 C ATOM 2365 SD MET A 153 142.206 8.814 -0.333 1.00 1.84 S ATOM 2366 CE MET A 153 141.966 8.028 -1.944 1.00 2.49 C ATOM 0 H MET A 153 141.237 5.874 4.139 1.00 0.50 H new ATOM 0 HA MET A 153 143.777 6.243 2.624 1.00 0.50 H new ATOM 0 HB2 MET A 153 141.665 5.829 1.115 1.00 0.55 H new ATOM 0 HB3 MET A 153 141.173 7.432 1.625 1.00 0.55 H new ATOM 0 HG2 MET A 153 143.917 7.726 0.977 1.00 0.80 H new ATOM 0 HG3 MET A 153 143.296 6.661 -0.268 1.00 0.80 H new ATOM 0 HE1 MET A 153 142.273 8.715 -2.733 1.00 2.49 H new ATOM 0 HE2 MET A 153 142.567 7.120 -1.999 1.00 2.49 H new ATOM 0 HE3 MET A 153 140.914 7.775 -2.072 1.00 2.49 H new ATOM 2376 N PHE A 154 143.932 8.586 3.515 1.00 0.47 N ATOM 2377 CA PHE A 154 144.102 9.890 4.234 1.00 0.51 C ATOM 2378 C PHE A 154 144.655 10.943 3.265 1.00 0.51 C ATOM 2379 O PHE A 154 145.737 10.781 2.734 1.00 0.58 O ATOM 2380 CB PHE A 154 145.096 9.702 5.385 1.00 0.57 C ATOM 2381 CG PHE A 154 144.588 8.635 6.326 1.00 0.49 C ATOM 2382 CD1 PHE A 154 143.462 8.888 7.100 1.00 1.28 C ATOM 2383 CD2 PHE A 154 145.238 7.400 6.427 1.00 1.30 C ATOM 2384 CE1 PHE A 154 142.975 7.907 7.977 1.00 1.34 C ATOM 2385 CE2 PHE A 154 144.752 6.421 7.305 1.00 1.26 C ATOM 2386 CZ PHE A 154 143.619 6.676 8.077 1.00 0.55 C ATOM 0 H PHE A 154 144.747 8.291 2.978 1.00 0.47 H new ATOM 0 HA PHE A 154 143.138 10.220 4.622 1.00 0.51 H new ATOM 0 HB2 PHE A 154 146.073 9.419 4.992 1.00 0.57 H new ATOM 0 HB3 PHE A 154 145.228 10.641 5.922 1.00 0.57 H new ATOM 0 HD1 PHE A 154 142.961 9.842 7.026 1.00 1.28 H new ATOM 0 HD2 PHE A 154 146.115 7.201 5.828 1.00 1.30 H new ATOM 0 HE1 PHE A 154 142.099 8.107 8.576 1.00 1.34 H new ATOM 0 HE2 PHE A 154 145.255 5.469 7.384 1.00 1.26 H new ATOM 0 HZ PHE A 154 143.242 5.921 8.751 1.00 0.55 H new ATOM 2396 N VAL A 155 143.925 12.020 3.044 1.00 0.49 N ATOM 2397 CA VAL A 155 144.406 13.096 2.113 1.00 0.51 C ATOM 2398 C VAL A 155 145.178 14.138 2.909 1.00 0.55 C ATOM 2399 O VAL A 155 144.681 14.694 3.884 1.00 0.62 O ATOM 2400 CB VAL A 155 143.200 13.728 1.375 1.00 0.54 C ATOM 2401 CG1 VAL A 155 143.585 15.063 0.709 1.00 0.57 C ATOM 2402 CG2 VAL A 155 142.715 12.763 0.289 1.00 0.55 C ATOM 0 H VAL A 155 143.016 12.198 3.471 1.00 0.49 H new ATOM 0 HA VAL A 155 145.073 12.672 1.362 1.00 0.51 H new ATOM 0 HB VAL A 155 142.415 13.917 2.108 1.00 0.54 H new ATOM 0 HG11 VAL A 155 142.716 15.480 0.200 1.00 0.57 H new ATOM 0 HG12 VAL A 155 143.930 15.763 1.470 1.00 0.57 H new ATOM 0 HG13 VAL A 155 144.382 14.892 -0.015 1.00 0.57 H new ATOM 0 HG21 VAL A 155 141.866 13.202 -0.235 1.00 0.55 H new ATOM 0 HG22 VAL A 155 143.522 12.578 -0.420 1.00 0.55 H new ATOM 0 HG23 VAL A 155 142.412 11.822 0.748 1.00 0.55 H new ATOM 2412 N ASN A 156 146.406 14.386 2.480 1.00 0.54 N ATOM 2413 CA ASN A 156 147.283 15.381 3.154 1.00 0.59 C ATOM 2414 C ASN A 156 147.317 15.122 4.674 1.00 0.61 C ATOM 2415 O ASN A 156 147.595 16.026 5.448 1.00 0.68 O ATOM 2416 CB ASN A 156 146.745 16.794 2.872 1.00 0.64 C ATOM 2417 CG ASN A 156 147.912 17.764 2.640 1.00 1.16 C ATOM 2418 OD1 ASN A 156 148.905 17.411 2.033 1.00 1.86 O ATOM 2419 ND2 ASN A 156 147.828 18.986 3.093 1.00 1.81 N ATOM 0 H ASN A 156 146.832 13.925 1.676 1.00 0.54 H new ATOM 0 HA ASN A 156 148.298 15.290 2.768 1.00 0.59 H new ATOM 0 HB2 ASN A 156 146.096 16.777 1.996 1.00 0.64 H new ATOM 0 HB3 ASN A 156 146.139 17.135 3.711 1.00 0.64 H new ATOM 0 HD21 ASN A 156 148.594 19.641 2.937 1.00 1.81 H new ATOM 0 HD22 ASN A 156 146.996 19.285 3.602 1.00 1.81 H new ATOM 2426 N GLY A 157 147.021 13.897 5.113 1.00 0.58 N ATOM 2427 CA GLY A 157 147.018 13.591 6.585 1.00 0.63 C ATOM 2428 C GLY A 157 146.087 14.580 7.286 1.00 0.67 C ATOM 2429 O GLY A 157 146.487 15.264 8.213 1.00 0.81 O ATOM 0 H GLY A 157 146.784 13.109 4.510 1.00 0.58 H new ATOM 0 HA2 GLY A 157 146.683 12.568 6.758 1.00 0.63 H new ATOM 0 HA3 GLY A 157 148.027 13.669 6.990 1.00 0.63 H new ATOM 2433 N LYS A 158 144.856 14.667 6.824 1.00 0.73 N ATOM 2434 CA LYS A 158 143.879 15.616 7.426 1.00 0.78 C ATOM 2435 C LYS A 158 142.453 15.171 7.087 1.00 0.76 C ATOM 2436 O LYS A 158 141.550 15.356 7.886 1.00 0.90 O ATOM 2437 CB LYS A 158 144.147 17.029 6.890 1.00 0.80 C ATOM 2438 CG LYS A 158 144.137 18.022 8.050 1.00 1.06 C ATOM 2439 CD LYS A 158 144.009 19.450 7.517 1.00 1.16 C ATOM 2440 CE LYS A 158 143.049 20.246 8.401 1.00 1.67 C ATOM 2441 NZ LYS A 158 143.213 21.701 8.128 1.00 2.01 N ATOM 0 H LYS A 158 144.492 14.113 6.049 1.00 0.73 H new ATOM 0 HA LYS A 158 143.990 15.624 8.510 1.00 0.78 H new ATOM 0 HB2 LYS A 158 145.109 17.060 6.379 1.00 0.80 H new ATOM 0 HB3 LYS A 158 143.388 17.302 6.157 1.00 0.80 H new ATOM 0 HG2 LYS A 158 143.308 17.800 8.722 1.00 1.06 H new ATOM 0 HG3 LYS A 158 145.054 17.923 8.632 1.00 1.06 H new ATOM 0 HD2 LYS A 158 144.987 19.931 7.500 1.00 1.16 H new ATOM 0 HD3 LYS A 158 143.644 19.434 6.490 1.00 1.16 H new ATOM 0 HE2 LYS A 158 142.021 19.942 8.205 1.00 1.67 H new ATOM 0 HE3 LYS A 158 143.248 20.038 9.452 1.00 1.67 H new ATOM 0 HZ1 LYS A 158 142.560 22.243 8.729 1.00 2.01 H new ATOM 0 HZ2 LYS A 158 144.192 21.985 8.336 1.00 2.01 H new ATOM 0 HZ3 LYS A 158 143.002 21.892 7.128 1.00 2.01 H new ATOM 2455 N TYR A 159 142.244 14.571 5.923 1.00 0.61 N ATOM 2456 CA TYR A 159 140.867 14.095 5.562 1.00 0.59 C ATOM 2457 C TYR A 159 140.933 12.643 5.114 1.00 0.58 C ATOM 2458 O TYR A 159 141.620 12.313 4.161 1.00 0.55 O ATOM 2459 CB TYR A 159 140.282 14.962 4.451 1.00 0.58 C ATOM 2460 CG TYR A 159 140.004 16.321 5.021 1.00 0.64 C ATOM 2461 CD1 TYR A 159 141.067 17.180 5.268 1.00 1.33 C ATOM 2462 CD2 TYR A 159 138.698 16.714 5.324 1.00 1.43 C ATOM 2463 CE1 TYR A 159 140.841 18.442 5.822 1.00 1.41 C ATOM 2464 CE2 TYR A 159 138.461 17.979 5.875 1.00 1.59 C ATOM 2465 CZ TYR A 159 139.533 18.846 6.126 1.00 1.06 C ATOM 2466 OH TYR A 159 139.294 20.095 6.675 1.00 1.32 O ATOM 0 H TYR A 159 142.963 14.396 5.221 1.00 0.61 H new ATOM 0 HA TYR A 159 140.221 14.173 6.437 1.00 0.59 H new ATOM 0 HB2 TYR A 159 140.980 15.034 3.617 1.00 0.58 H new ATOM 0 HB3 TYR A 159 139.366 14.517 4.063 1.00 0.58 H new ATOM 0 HD1 TYR A 159 142.074 16.870 5.030 1.00 1.33 H new ATOM 0 HD2 TYR A 159 137.873 16.043 5.134 1.00 1.43 H new ATOM 0 HE1 TYR A 159 141.671 19.105 6.016 1.00 1.41 H new ATOM 0 HE2 TYR A 159 137.452 18.287 6.107 1.00 1.59 H new ATOM 0 HH TYR A 159 138.332 20.210 6.821 1.00 1.32 H new ATOM 2476 N GLN A 160 140.223 11.780 5.808 1.00 0.61 N ATOM 2477 CA GLN A 160 140.224 10.341 5.463 1.00 0.63 C ATOM 2478 C GLN A 160 138.924 9.980 4.753 1.00 0.58 C ATOM 2479 O GLN A 160 137.841 10.291 5.232 1.00 0.61 O ATOM 2480 CB GLN A 160 140.392 9.488 6.748 1.00 0.70 C ATOM 2481 CG GLN A 160 139.118 9.507 7.607 1.00 1.25 C ATOM 2482 CD GLN A 160 139.288 8.623 8.852 1.00 1.20 C ATOM 2483 OE1 GLN A 160 140.257 8.740 9.570 1.00 1.72 O ATOM 2484 NE2 GLN A 160 138.364 7.747 9.151 1.00 1.67 N ATOM 0 H GLN A 160 139.639 12.027 6.607 1.00 0.61 H new ATOM 0 HA GLN A 160 141.060 10.133 4.795 1.00 0.63 H new ATOM 0 HB2 GLN A 160 140.633 8.461 6.475 1.00 0.70 H new ATOM 0 HB3 GLN A 160 141.231 9.868 7.331 1.00 0.70 H new ATOM 0 HG2 GLN A 160 138.893 10.530 7.909 1.00 1.25 H new ATOM 0 HG3 GLN A 160 138.271 9.155 7.018 1.00 1.25 H new ATOM 0 HE21 GLN A 160 137.546 7.644 8.551 1.00 1.67 H new ATOM 0 HE22 GLN A 160 138.462 7.167 9.985 1.00 1.67 H new ATOM 2493 N LEU A 161 139.029 9.299 3.639 1.00 0.57 N ATOM 2494 CA LEU A 161 137.791 8.860 2.912 1.00 0.59 C ATOM 2495 C LEU A 161 137.113 7.810 3.787 1.00 0.58 C ATOM 2496 O LEU A 161 137.615 7.492 4.863 1.00 0.60 O ATOM 2497 CB LEU A 161 138.130 8.275 1.532 1.00 0.64 C ATOM 2498 CG LEU A 161 138.624 9.373 0.561 1.00 0.72 C ATOM 2499 CD1 LEU A 161 138.632 8.808 -0.863 1.00 0.79 C ATOM 2500 CD2 LEU A 161 137.707 10.614 0.590 1.00 0.96 C ATOM 0 H LEU A 161 139.910 9.028 3.202 1.00 0.57 H new ATOM 0 HA LEU A 161 137.133 9.711 2.737 1.00 0.59 H new ATOM 0 HB2 LEU A 161 138.898 7.509 1.638 1.00 0.64 H new ATOM 0 HB3 LEU A 161 137.249 7.788 1.115 1.00 0.64 H new ATOM 0 HG LEU A 161 139.624 9.675 0.872 1.00 0.72 H new ATOM 0 HD11 LEU A 161 138.979 9.574 -1.556 1.00 0.79 H new ATOM 0 HD12 LEU A 161 139.300 7.948 -0.909 1.00 0.79 H new ATOM 0 HD13 LEU A 161 137.623 8.500 -1.138 1.00 0.79 H new ATOM 0 HD21 LEU A 161 138.087 11.363 -0.105 1.00 0.96 H new ATOM 0 HD22 LEU A 161 136.697 10.327 0.298 1.00 0.96 H new ATOM 0 HD23 LEU A 161 137.689 11.030 1.597 1.00 0.96 H new ATOM 2512 N ASN A 162 135.973 7.286 3.386 1.00 0.60 N ATOM 2513 CA ASN A 162 135.305 6.298 4.277 1.00 0.64 C ATOM 2514 C ASN A 162 134.529 5.195 3.520 1.00 0.76 C ATOM 2515 O ASN A 162 133.334 5.330 3.290 1.00 1.06 O ATOM 2516 CB ASN A 162 134.353 7.062 5.226 1.00 0.70 C ATOM 2517 CG ASN A 162 134.497 6.556 6.678 1.00 1.46 C ATOM 2518 OD1 ASN A 162 135.375 5.771 6.997 1.00 2.36 O ATOM 2519 ND2 ASN A 162 133.660 6.983 7.587 1.00 2.01 N ATOM 0 H ASN A 162 135.496 7.495 2.509 1.00 0.60 H new ATOM 0 HA ASN A 162 136.087 5.778 4.831 1.00 0.64 H new ATOM 0 HB2 ASN A 162 134.572 8.129 5.185 1.00 0.70 H new ATOM 0 HB3 ASN A 162 133.323 6.935 4.893 1.00 0.70 H new ATOM 0 HD21 ASN A 162 133.745 6.660 8.551 1.00 2.01 H new ATOM 0 HD22 ASN A 162 132.922 7.639 7.333 1.00 2.01 H new ATOM 2526 N PRO A 163 135.201 4.069 3.260 1.00 0.88 N ATOM 2527 CA PRO A 163 134.546 2.864 2.680 1.00 1.05 C ATOM 2528 C PRO A 163 133.929 2.039 3.847 1.00 1.32 C ATOM 2529 O PRO A 163 133.611 0.870 3.715 1.00 1.74 O ATOM 2530 CB PRO A 163 135.713 2.085 2.068 1.00 1.48 C ATOM 2531 CG PRO A 163 136.991 2.543 2.821 1.00 1.70 C ATOM 2532 CD PRO A 163 136.660 3.892 3.485 1.00 1.23 C ATOM 0 HA PRO A 163 133.760 3.088 1.959 1.00 1.05 H new ATOM 0 HB2 PRO A 163 135.562 1.011 2.177 1.00 1.48 H new ATOM 0 HB3 PRO A 163 135.798 2.288 1.000 1.00 1.48 H new ATOM 0 HG2 PRO A 163 137.283 1.806 3.569 1.00 1.70 H new ATOM 0 HG3 PRO A 163 137.829 2.647 2.132 1.00 1.70 H new ATOM 0 HD2 PRO A 163 136.899 3.880 4.548 1.00 1.23 H new ATOM 0 HD3 PRO A 163 137.232 4.705 3.038 1.00 1.23 H new ATOM 2540 N GLN A 164 133.824 2.670 4.997 1.00 1.45 N ATOM 2541 CA GLN A 164 133.320 2.064 6.255 1.00 1.98 C ATOM 2542 C GLN A 164 132.093 1.182 6.058 1.00 2.37 C ATOM 2543 O GLN A 164 131.834 0.296 6.859 1.00 2.74 O ATOM 2544 CB GLN A 164 132.924 3.227 7.174 1.00 2.35 C ATOM 2545 CG GLN A 164 133.543 3.053 8.556 1.00 2.84 C ATOM 2546 CD GLN A 164 132.521 3.384 9.646 1.00 3.28 C ATOM 2547 OE1 GLN A 164 131.590 4.145 9.448 1.00 3.51 O ATOM 2548 NE2 GLN A 164 132.669 2.834 10.810 1.00 3.90 N ATOM 0 H GLN A 164 134.090 3.649 5.107 1.00 1.45 H new ATOM 0 HA GLN A 164 134.104 1.427 6.664 1.00 1.98 H new ATOM 0 HB2 GLN A 164 133.253 4.170 6.738 1.00 2.35 H new ATOM 0 HB3 GLN A 164 131.838 3.277 7.259 1.00 2.35 H new ATOM 0 HG2 GLN A 164 133.894 2.028 8.677 1.00 2.84 H new ATOM 0 HG3 GLN A 164 134.413 3.702 8.656 1.00 2.84 H new ATOM 0 HE21 GLN A 164 133.448 2.197 10.978 1.00 3.90 H new ATOM 0 HE22 GLN A 164 132.007 3.038 11.558 1.00 3.90 H new ATOM 2557 N GLY A 165 131.308 1.450 5.047 1.00 2.77 N ATOM 2558 CA GLY A 165 130.059 0.657 4.852 1.00 3.60 C ATOM 2559 C GLY A 165 129.493 0.840 3.462 1.00 3.05 C ATOM 2560 O GLY A 165 128.318 1.146 3.313 1.00 3.72 O ATOM 0 H GLY A 165 131.476 2.178 4.353 1.00 2.77 H new ATOM 0 HA2 GLY A 165 130.268 -0.399 5.024 1.00 3.60 H new ATOM 0 HA3 GLY A 165 129.316 0.960 5.590 1.00 3.60 H new ATOM 2564 N MET A 166 130.297 0.642 2.439 1.00 2.09 N ATOM 2565 CA MET A 166 129.761 0.786 1.038 1.00 1.89 C ATOM 2566 C MET A 166 129.915 -0.519 0.219 1.00 1.57 C ATOM 2567 O MET A 166 130.888 -0.736 -0.477 1.00 2.22 O ATOM 2568 CB MET A 166 130.432 1.962 0.291 1.00 2.36 C ATOM 2569 CG MET A 166 129.446 3.138 0.060 1.00 3.26 C ATOM 2570 SD MET A 166 127.859 2.569 -0.613 1.00 4.43 S ATOM 2571 CE MET A 166 126.874 2.954 0.857 1.00 5.53 C ATOM 0 H MET A 166 131.283 0.391 2.508 1.00 2.09 H new ATOM 0 HA MET A 166 128.697 0.999 1.137 1.00 1.89 H new ATOM 0 HB2 MET A 166 131.290 2.314 0.864 1.00 2.36 H new ATOM 0 HB3 MET A 166 130.812 1.613 -0.669 1.00 2.36 H new ATOM 0 HG2 MET A 166 129.275 3.659 1.002 1.00 3.26 H new ATOM 0 HG3 MET A 166 129.894 3.858 -0.625 1.00 3.26 H new ATOM 0 HE1 MET A 166 126.090 2.206 0.976 1.00 5.53 H new ATOM 0 HE2 MET A 166 127.517 2.949 1.737 1.00 5.53 H new ATOM 0 HE3 MET A 166 126.422 3.939 0.744 1.00 5.53 H new ATOM 2581 N ASP A 167 128.915 -1.356 0.310 1.00 1.78 N ATOM 2582 CA ASP A 167 128.845 -2.657 -0.441 1.00 2.59 C ATOM 2583 C ASP A 167 127.343 -2.870 -0.773 1.00 2.76 C ATOM 2584 O ASP A 167 126.694 -3.775 -0.250 1.00 3.71 O ATOM 2585 CB ASP A 167 129.406 -3.756 0.485 1.00 3.60 C ATOM 2586 CG ASP A 167 128.995 -5.160 0.029 1.00 4.73 C ATOM 2587 OD1 ASP A 167 129.597 -5.660 -0.909 1.00 5.30 O ATOM 2588 OD2 ASP A 167 128.085 -5.716 0.633 1.00 5.27 O ATOM 0 H ASP A 167 128.102 -1.186 0.902 1.00 1.78 H new ATOM 0 HA ASP A 167 129.425 -2.673 -1.364 1.00 2.59 H new ATOM 0 HB2 ASP A 167 130.494 -3.688 0.510 1.00 3.60 H new ATOM 0 HB3 ASP A 167 129.052 -3.588 1.502 1.00 3.60 H new ATOM 2593 N THR A 168 126.766 -1.975 -1.587 1.00 2.31 N ATOM 2594 CA THR A 168 125.308 -2.047 -1.879 1.00 3.02 C ATOM 2595 C THR A 168 125.010 -2.815 -3.183 1.00 2.59 C ATOM 2596 O THR A 168 124.735 -4.002 -3.143 1.00 3.27 O ATOM 2597 CB THR A 168 124.735 -0.603 -1.921 1.00 3.67 C ATOM 2598 OG1 THR A 168 125.128 0.069 -3.121 1.00 3.80 O ATOM 2599 CG2 THR A 168 125.233 0.207 -0.699 1.00 4.00 C ATOM 0 H THR A 168 127.260 -1.211 -2.048 1.00 2.31 H new ATOM 0 HA THR A 168 124.818 -2.610 -1.085 1.00 3.02 H new ATOM 0 HB THR A 168 123.648 -0.675 -1.895 1.00 3.67 H new ATOM 0 HG1 THR A 168 124.334 0.270 -3.659 1.00 3.80 H new ATOM 0 HG21 THR A 168 124.824 1.217 -0.741 1.00 4.00 H new ATOM 0 HG22 THR A 168 124.904 -0.280 0.219 1.00 4.00 H new ATOM 0 HG23 THR A 168 126.322 0.255 -0.714 1.00 4.00 H new ATOM 2607 N SER A 169 125.008 -2.148 -4.320 1.00 1.82 N ATOM 2608 CA SER A 169 124.677 -2.835 -5.616 1.00 1.85 C ATOM 2609 C SER A 169 125.137 -1.974 -6.795 1.00 1.59 C ATOM 2610 O SER A 169 124.567 -2.039 -7.879 1.00 1.59 O ATOM 2611 CB SER A 169 123.150 -2.988 -5.681 1.00 2.34 C ATOM 2612 OG SER A 169 122.778 -4.316 -5.342 1.00 3.00 O ATOM 0 H SER A 169 125.222 -1.154 -4.405 1.00 1.82 H new ATOM 0 HA SER A 169 125.175 -3.803 -5.668 1.00 1.85 H new ATOM 0 HB2 SER A 169 122.677 -2.284 -4.997 1.00 2.34 H new ATOM 0 HB3 SER A 169 122.795 -2.747 -6.683 1.00 2.34 H new ATOM 0 HG SER A 169 123.272 -4.601 -4.545 1.00 3.00 H new ATOM 2618 N ASN A 170 126.142 -1.149 -6.590 1.00 1.49 N ATOM 2619 CA ASN A 170 126.604 -0.258 -7.676 1.00 1.38 C ATOM 2620 C ASN A 170 128.103 0.017 -7.532 1.00 1.31 C ATOM 2621 O ASN A 170 128.510 1.032 -6.976 1.00 1.30 O ATOM 2622 CB ASN A 170 125.817 1.064 -7.588 1.00 1.60 C ATOM 2623 CG ASN A 170 124.551 1.012 -8.457 1.00 2.41 C ATOM 2624 OD1 ASN A 170 124.485 0.285 -9.432 1.00 3.13 O ATOM 2625 ND2 ASN A 170 123.535 1.775 -8.147 1.00 2.90 N ATOM 0 H ASN A 170 126.654 -1.064 -5.712 1.00 1.49 H new ATOM 0 HA ASN A 170 126.434 -0.733 -8.642 1.00 1.38 H new ATOM 0 HB2 ASN A 170 125.543 1.259 -6.551 1.00 1.60 H new ATOM 0 HB3 ASN A 170 126.450 1.890 -7.911 1.00 1.60 H new ATOM 0 HD21 ASN A 170 122.692 1.760 -8.721 1.00 2.90 H new ATOM 0 HD22 ASN A 170 123.586 2.385 -7.331 1.00 2.90 H new ATOM 2632 N MET A 171 128.923 -0.846 -8.092 1.00 1.28 N ATOM 2633 CA MET A 171 130.394 -0.596 -8.069 1.00 1.25 C ATOM 2634 C MET A 171 130.659 0.613 -8.981 1.00 1.20 C ATOM 2635 O MET A 171 131.695 1.251 -8.907 1.00 1.19 O ATOM 2636 CB MET A 171 131.153 -1.818 -8.587 1.00 1.32 C ATOM 2637 CG MET A 171 131.041 -2.965 -7.582 1.00 1.38 C ATOM 2638 SD MET A 171 131.544 -4.505 -8.389 1.00 1.82 S ATOM 2639 CE MET A 171 131.384 -5.589 -6.952 1.00 2.28 C ATOM 0 H MET A 171 128.635 -1.705 -8.560 1.00 1.28 H new ATOM 0 HA MET A 171 130.734 -0.402 -7.052 1.00 1.25 H new ATOM 0 HB2 MET A 171 130.748 -2.127 -9.551 1.00 1.32 H new ATOM 0 HB3 MET A 171 132.201 -1.565 -8.748 1.00 1.32 H new ATOM 0 HG2 MET A 171 131.673 -2.770 -6.716 1.00 1.38 H new ATOM 0 HG3 MET A 171 130.017 -3.048 -7.217 1.00 1.38 H new ATOM 0 HE1 MET A 171 131.652 -6.608 -7.233 1.00 2.28 H new ATOM 0 HE2 MET A 171 132.049 -5.244 -6.160 1.00 2.28 H new ATOM 0 HE3 MET A 171 130.354 -5.570 -6.595 1.00 2.28 H new ATOM 2649 N ASP A 172 129.694 0.918 -9.828 1.00 1.21 N ATOM 2650 CA ASP A 172 129.784 2.075 -10.764 1.00 1.20 C ATOM 2651 C ASP A 172 129.796 3.370 -9.961 1.00 1.13 C ATOM 2652 O ASP A 172 130.745 4.136 -10.021 1.00 1.06 O ATOM 2653 CB ASP A 172 128.550 2.068 -11.677 1.00 1.30 C ATOM 2654 CG ASP A 172 128.909 1.463 -13.034 1.00 1.58 C ATOM 2655 OD1 ASP A 172 129.795 1.995 -13.681 1.00 2.11 O ATOM 2656 OD2 ASP A 172 128.286 0.482 -13.405 1.00 2.09 O ATOM 0 H ASP A 172 128.824 0.390 -9.904 1.00 1.21 H new ATOM 0 HA ASP A 172 130.694 2.001 -11.359 1.00 1.20 H new ATOM 0 HB2 ASP A 172 127.748 1.493 -11.214 1.00 1.30 H new ATOM 0 HB3 ASP A 172 128.179 3.084 -11.809 1.00 1.30 H new ATOM 2661 N VAL A 173 128.734 3.620 -9.212 1.00 1.19 N ATOM 2662 CA VAL A 173 128.651 4.869 -8.394 1.00 1.15 C ATOM 2663 C VAL A 173 129.843 4.907 -7.429 1.00 1.03 C ATOM 2664 O VAL A 173 130.415 5.954 -7.214 1.00 0.97 O ATOM 2665 CB VAL A 173 127.298 4.922 -7.635 1.00 1.27 C ATOM 2666 CG1 VAL A 173 127.323 5.969 -6.505 1.00 1.24 C ATOM 2667 CG2 VAL A 173 126.200 5.306 -8.630 1.00 1.39 C ATOM 0 H VAL A 173 127.924 3.005 -9.138 1.00 1.19 H new ATOM 0 HA VAL A 173 128.695 5.746 -9.039 1.00 1.15 H new ATOM 0 HB VAL A 173 127.112 3.944 -7.192 1.00 1.27 H new ATOM 0 HG11 VAL A 173 126.359 5.978 -5.996 1.00 1.24 H new ATOM 0 HG12 VAL A 173 128.108 5.716 -5.792 1.00 1.24 H new ATOM 0 HG13 VAL A 173 127.520 6.955 -6.927 1.00 1.24 H new ATOM 0 HG21 VAL A 173 125.241 5.348 -8.115 1.00 1.39 H new ATOM 0 HG22 VAL A 173 126.424 6.282 -9.060 1.00 1.39 H new ATOM 0 HG23 VAL A 173 126.152 4.561 -9.425 1.00 1.39 H new ATOM 2677 N PHE A 174 130.228 3.776 -6.869 1.00 1.03 N ATOM 2678 CA PHE A 174 131.393 3.755 -5.928 1.00 0.96 C ATOM 2679 C PHE A 174 132.633 4.260 -6.666 1.00 0.85 C ATOM 2680 O PHE A 174 133.337 5.108 -6.164 1.00 0.79 O ATOM 2681 CB PHE A 174 131.635 2.322 -5.409 1.00 1.01 C ATOM 2682 CG PHE A 174 132.787 2.290 -4.413 1.00 1.39 C ATOM 2683 CD1 PHE A 174 134.114 2.500 -4.836 1.00 2.06 C ATOM 2684 CD2 PHE A 174 132.528 2.032 -3.060 1.00 2.08 C ATOM 2685 CE1 PHE A 174 135.163 2.456 -3.910 1.00 2.65 C ATOM 2686 CE2 PHE A 174 133.582 1.986 -2.136 1.00 2.65 C ATOM 2687 CZ PHE A 174 134.898 2.200 -2.561 1.00 2.72 C ATOM 0 H PHE A 174 129.784 2.871 -7.026 1.00 1.03 H new ATOM 0 HA PHE A 174 131.183 4.399 -5.074 1.00 0.96 H new ATOM 0 HB2 PHE A 174 130.729 1.945 -4.935 1.00 1.01 H new ATOM 0 HB3 PHE A 174 131.855 1.660 -6.247 1.00 1.01 H new ATOM 0 HD1 PHE A 174 134.323 2.695 -5.877 1.00 2.06 H new ATOM 0 HD2 PHE A 174 131.513 1.868 -2.728 1.00 2.08 H new ATOM 0 HE1 PHE A 174 136.179 2.620 -4.238 1.00 2.65 H new ATOM 0 HE2 PHE A 174 133.378 1.785 -1.095 1.00 2.65 H new ATOM 0 HZ PHE A 174 135.708 2.167 -1.848 1.00 2.72 H new ATOM 2697 N VAL A 175 132.907 3.730 -7.844 1.00 0.87 N ATOM 2698 CA VAL A 175 134.118 4.149 -8.618 1.00 0.81 C ATOM 2699 C VAL A 175 133.978 5.601 -9.097 1.00 0.80 C ATOM 2700 O VAL A 175 134.975 6.292 -9.252 1.00 0.76 O ATOM 2701 CB VAL A 175 134.299 3.199 -9.812 1.00 0.88 C ATOM 2702 CG1 VAL A 175 135.496 3.635 -10.668 1.00 0.94 C ATOM 2703 CG2 VAL A 175 134.550 1.781 -9.284 1.00 0.88 C ATOM 0 H VAL A 175 132.335 3.020 -8.301 1.00 0.87 H new ATOM 0 HA VAL A 175 134.997 4.096 -7.975 1.00 0.81 H new ATOM 0 HB VAL A 175 133.399 3.223 -10.426 1.00 0.88 H new ATOM 0 HG11 VAL A 175 135.610 2.951 -11.509 1.00 0.94 H new ATOM 0 HG12 VAL A 175 135.328 4.645 -11.041 1.00 0.94 H new ATOM 0 HG13 VAL A 175 136.402 3.619 -10.062 1.00 0.94 H new ATOM 0 HG21 VAL A 175 134.680 1.098 -10.123 1.00 0.88 H new ATOM 0 HG22 VAL A 175 135.450 1.776 -8.669 1.00 0.88 H new ATOM 0 HG23 VAL A 175 133.699 1.460 -8.684 1.00 0.88 H new ATOM 2713 N GLN A 176 132.767 6.066 -9.329 1.00 0.88 N ATOM 2714 CA GLN A 176 132.574 7.474 -9.801 1.00 0.92 C ATOM 2715 C GLN A 176 132.604 8.421 -8.595 1.00 0.88 C ATOM 2716 O GLN A 176 133.375 9.366 -8.567 1.00 0.84 O ATOM 2717 CB GLN A 176 131.236 7.599 -10.549 1.00 1.04 C ATOM 2718 CG GLN A 176 131.496 8.061 -11.993 1.00 1.40 C ATOM 2719 CD GLN A 176 130.277 8.810 -12.555 1.00 1.76 C ATOM 2720 OE1 GLN A 176 129.154 8.598 -12.129 1.00 2.49 O ATOM 2721 NE2 GLN A 176 130.454 9.681 -13.513 1.00 2.16 N ATOM 0 H GLN A 176 131.908 5.529 -9.211 1.00 0.88 H new ATOM 0 HA GLN A 176 133.378 7.743 -10.486 1.00 0.92 H new ATOM 0 HB2 GLN A 176 130.717 6.640 -10.551 1.00 1.04 H new ATOM 0 HB3 GLN A 176 130.587 8.312 -10.039 1.00 1.04 H new ATOM 0 HG2 GLN A 176 132.371 8.710 -12.020 1.00 1.40 H new ATOM 0 HG3 GLN A 176 131.720 7.198 -12.621 1.00 1.40 H new ATOM 0 HE21 GLN A 176 131.392 9.861 -13.872 1.00 2.16 H new ATOM 0 HE22 GLN A 176 129.654 10.181 -13.902 1.00 2.16 H new ATOM 2730 N GLN A 177 131.778 8.158 -7.601 1.00 0.92 N ATOM 2731 CA GLN A 177 131.741 9.014 -6.370 1.00 0.91 C ATOM 2732 C GLN A 177 133.127 9.000 -5.720 1.00 0.81 C ATOM 2733 O GLN A 177 133.612 10.017 -5.260 1.00 0.83 O ATOM 2734 CB GLN A 177 130.702 8.454 -5.383 1.00 0.98 C ATOM 2735 CG GLN A 177 129.606 9.489 -5.115 1.00 1.57 C ATOM 2736 CD GLN A 177 128.367 8.792 -4.535 1.00 2.01 C ATOM 2737 OE1 GLN A 177 127.253 9.179 -4.820 1.00 2.37 O ATOM 2738 NE2 GLN A 177 128.515 7.775 -3.729 1.00 2.75 N ATOM 0 H GLN A 177 131.122 7.377 -7.594 1.00 0.92 H new ATOM 0 HA GLN A 177 131.466 10.035 -6.635 1.00 0.91 H new ATOM 0 HB2 GLN A 177 130.260 7.544 -5.788 1.00 0.98 H new ATOM 0 HB3 GLN A 177 131.190 8.182 -4.447 1.00 0.98 H new ATOM 0 HG2 GLN A 177 129.969 10.245 -4.419 1.00 1.57 H new ATOM 0 HG3 GLN A 177 129.346 10.005 -6.039 1.00 1.57 H new ATOM 0 HE21 GLN A 177 129.450 7.447 -3.488 1.00 2.75 H new ATOM 0 HE22 GLN A 177 127.695 7.308 -3.341 1.00 2.75 H new ATOM 2747 N TYR A 178 133.761 7.843 -5.700 1.00 0.74 N ATOM 2748 CA TYR A 178 135.127 7.712 -5.103 1.00 0.67 C ATOM 2749 C TYR A 178 136.086 8.589 -5.906 1.00 0.63 C ATOM 2750 O TYR A 178 136.770 9.433 -5.352 1.00 0.59 O ATOM 2751 CB TYR A 178 135.562 6.238 -5.176 1.00 0.68 C ATOM 2752 CG TYR A 178 136.928 6.015 -4.560 1.00 0.74 C ATOM 2753 CD1 TYR A 178 138.085 6.547 -5.149 1.00 1.47 C ATOM 2754 CD2 TYR A 178 137.035 5.239 -3.400 1.00 1.41 C ATOM 2755 CE1 TYR A 178 139.335 6.312 -4.573 1.00 1.56 C ATOM 2756 CE2 TYR A 178 138.290 5.002 -2.828 1.00 1.54 C ATOM 2757 CZ TYR A 178 139.440 5.539 -3.414 1.00 1.09 C ATOM 2758 OH TYR A 178 140.677 5.304 -2.852 1.00 1.31 O ATOM 0 H TYR A 178 133.380 6.976 -6.079 1.00 0.74 H new ATOM 0 HA TYR A 178 135.129 8.030 -4.060 1.00 0.67 H new ATOM 0 HB2 TYR A 178 134.828 5.618 -4.662 1.00 0.68 H new ATOM 0 HB3 TYR A 178 135.578 5.916 -6.217 1.00 0.68 H new ATOM 0 HD1 TYR A 178 138.009 7.139 -6.049 1.00 1.47 H new ATOM 0 HD2 TYR A 178 136.148 4.823 -2.946 1.00 1.41 H new ATOM 0 HE1 TYR A 178 140.223 6.729 -5.025 1.00 1.56 H new ATOM 0 HE2 TYR A 178 138.370 4.403 -1.933 1.00 1.54 H new ATOM 0 HH TYR A 178 140.572 4.750 -2.051 1.00 1.31 H new ATOM 2768 N ALA A 179 136.135 8.385 -7.209 1.00 0.67 N ATOM 2769 CA ALA A 179 137.048 9.188 -8.081 1.00 0.68 C ATOM 2770 C ALA A 179 136.714 10.676 -7.948 1.00 0.69 C ATOM 2771 O ALA A 179 137.575 11.525 -8.114 1.00 0.71 O ATOM 2772 CB ALA A 179 136.875 8.753 -9.539 1.00 0.76 C ATOM 0 H ALA A 179 135.575 7.690 -7.703 1.00 0.67 H new ATOM 0 HA ALA A 179 138.080 9.022 -7.771 1.00 0.68 H new ATOM 0 HB1 ALA A 179 137.540 9.338 -10.175 1.00 0.76 H new ATOM 0 HB2 ALA A 179 137.119 7.695 -9.634 1.00 0.76 H new ATOM 0 HB3 ALA A 179 135.842 8.916 -9.847 1.00 0.76 H new ATOM 2778 N ASP A 180 135.470 10.987 -7.648 1.00 0.72 N ATOM 2779 CA ASP A 180 135.043 12.412 -7.495 1.00 0.77 C ATOM 2780 C ASP A 180 135.551 12.959 -6.161 1.00 0.71 C ATOM 2781 O ASP A 180 135.967 14.104 -6.074 1.00 0.74 O ATOM 2782 CB ASP A 180 133.515 12.489 -7.528 1.00 0.84 C ATOM 2783 CG ASP A 180 133.084 13.768 -8.245 1.00 1.39 C ATOM 2784 OD1 ASP A 180 133.189 13.807 -9.460 1.00 2.04 O ATOM 2785 OD2 ASP A 180 132.657 14.687 -7.567 1.00 2.03 O ATOM 0 H ASP A 180 134.728 10.303 -7.502 1.00 0.72 H new ATOM 0 HA ASP A 180 135.457 13.005 -8.310 1.00 0.77 H new ATOM 0 HB2 ASP A 180 133.107 11.617 -8.040 1.00 0.84 H new ATOM 0 HB3 ASP A 180 133.118 12.477 -6.513 1.00 0.84 H new ATOM 2790 N THR A 181 135.514 12.145 -5.125 1.00 0.66 N ATOM 2791 CA THR A 181 135.991 12.596 -3.776 1.00 0.62 C ATOM 2792 C THR A 181 137.495 12.864 -3.849 1.00 0.59 C ATOM 2793 O THR A 181 137.970 13.815 -3.265 1.00 0.67 O ATOM 2794 CB THR A 181 135.706 11.525 -2.692 1.00 0.63 C ATOM 2795 OG1 THR A 181 134.883 10.490 -3.211 1.00 1.10 O ATOM 2796 CG2 THR A 181 134.995 12.174 -1.500 1.00 0.86 C ATOM 0 H THR A 181 135.172 11.185 -5.159 1.00 0.66 H new ATOM 0 HA THR A 181 135.455 13.504 -3.500 1.00 0.62 H new ATOM 0 HB THR A 181 136.657 11.098 -2.375 1.00 0.63 H new ATOM 0 HG1 THR A 181 134.133 10.884 -3.703 1.00 1.10 H new ATOM 0 HG21 THR A 181 134.796 11.419 -0.740 1.00 0.86 H new ATOM 0 HG22 THR A 181 135.629 12.954 -1.079 1.00 0.86 H new ATOM 0 HG23 THR A 181 134.053 12.611 -1.832 1.00 0.86 H new ATOM 2804 N VAL A 182 138.238 12.037 -4.566 1.00 0.57 N ATOM 2805 CA VAL A 182 139.720 12.247 -4.678 1.00 0.57 C ATOM 2806 C VAL A 182 140.002 13.418 -5.620 1.00 0.62 C ATOM 2807 O VAL A 182 140.948 14.167 -5.416 1.00 0.64 O ATOM 2808 CB VAL A 182 140.395 10.977 -5.210 1.00 0.58 C ATOM 2809 CG1 VAL A 182 141.913 11.191 -5.282 1.00 0.77 C ATOM 2810 CG2 VAL A 182 140.099 9.819 -4.258 1.00 0.57 C ATOM 0 H VAL A 182 137.878 11.230 -5.075 1.00 0.57 H new ATOM 0 HA VAL A 182 140.123 12.472 -3.691 1.00 0.57 H new ATOM 0 HB VAL A 182 140.012 10.751 -6.205 1.00 0.58 H new ATOM 0 HG11 VAL A 182 142.390 10.287 -5.660 1.00 0.77 H new ATOM 0 HG12 VAL A 182 142.132 12.024 -5.950 1.00 0.77 H new ATOM 0 HG13 VAL A 182 142.297 11.414 -4.286 1.00 0.77 H new ATOM 0 HG21 VAL A 182 140.576 8.912 -4.629 1.00 0.57 H new ATOM 0 HG22 VAL A 182 140.488 10.054 -3.267 1.00 0.57 H new ATOM 0 HG23 VAL A 182 139.022 9.664 -4.197 1.00 0.57 H new ATOM 2820 N LYS A 183 139.190 13.577 -6.645 1.00 0.65 N ATOM 2821 CA LYS A 183 139.393 14.696 -7.615 1.00 0.72 C ATOM 2822 C LYS A 183 139.292 16.028 -6.878 1.00 0.74 C ATOM 2823 O LYS A 183 140.179 16.861 -6.974 1.00 0.79 O ATOM 2824 CB LYS A 183 138.325 14.641 -8.705 1.00 0.78 C ATOM 2825 CG LYS A 183 138.910 15.200 -10.005 1.00 1.07 C ATOM 2826 CD LYS A 183 137.811 15.314 -11.073 1.00 1.27 C ATOM 2827 CE LYS A 183 137.831 16.711 -11.704 1.00 1.86 C ATOM 2828 NZ LYS A 183 136.960 16.723 -12.914 1.00 2.47 N ATOM 0 H LYS A 183 138.393 12.974 -6.848 1.00 0.65 H new ATOM 0 HA LYS A 183 140.378 14.599 -8.072 1.00 0.72 H new ATOM 0 HB2 LYS A 183 137.991 13.614 -8.853 1.00 0.78 H new ATOM 0 HB3 LYS A 183 137.451 15.220 -8.406 1.00 0.78 H new ATOM 0 HG2 LYS A 183 139.353 16.179 -9.822 1.00 1.07 H new ATOM 0 HG3 LYS A 183 139.709 14.550 -10.362 1.00 1.07 H new ATOM 0 HD2 LYS A 183 137.961 14.557 -11.843 1.00 1.27 H new ATOM 0 HD3 LYS A 183 136.836 15.123 -10.624 1.00 1.27 H new ATOM 0 HE2 LYS A 183 137.482 17.452 -10.984 1.00 1.86 H new ATOM 0 HE3 LYS A 183 138.851 16.985 -11.974 1.00 1.86 H new ATOM 0 HZ1 LYS A 183 136.974 17.671 -13.342 1.00 2.47 H new ATOM 0 HZ2 LYS A 183 137.312 16.027 -13.602 1.00 2.47 H new ATOM 0 HZ3 LYS A 183 135.986 16.479 -12.643 1.00 2.47 H new ATOM 2842 N TYR A 184 138.218 16.223 -6.139 1.00 0.73 N ATOM 2843 CA TYR A 184 138.042 17.495 -5.379 1.00 0.78 C ATOM 2844 C TYR A 184 138.990 17.478 -4.171 1.00 0.75 C ATOM 2845 O TYR A 184 139.533 18.507 -3.801 1.00 0.81 O ATOM 2846 CB TYR A 184 136.549 17.648 -4.967 1.00 0.82 C ATOM 2847 CG TYR A 184 136.405 18.093 -3.521 1.00 0.82 C ATOM 2848 CD1 TYR A 184 136.904 19.335 -3.128 1.00 1.53 C ATOM 2849 CD2 TYR A 184 135.812 17.250 -2.581 1.00 1.29 C ATOM 2850 CE1 TYR A 184 136.811 19.739 -1.796 1.00 1.54 C ATOM 2851 CE2 TYR A 184 135.712 17.654 -1.248 1.00 1.31 C ATOM 2852 CZ TYR A 184 136.213 18.899 -0.851 1.00 0.85 C ATOM 2853 OH TYR A 184 136.123 19.293 0.469 1.00 0.89 O ATOM 0 H TYR A 184 137.458 15.550 -6.034 1.00 0.73 H new ATOM 0 HA TYR A 184 138.295 18.360 -5.992 1.00 0.78 H new ATOM 0 HB2 TYR A 184 136.064 18.373 -5.620 1.00 0.82 H new ATOM 0 HB3 TYR A 184 136.034 16.698 -5.108 1.00 0.82 H new ATOM 0 HD1 TYR A 184 137.364 19.986 -3.857 1.00 1.53 H new ATOM 0 HD2 TYR A 184 135.431 16.286 -2.884 1.00 1.29 H new ATOM 0 HE1 TYR A 184 137.201 20.700 -1.495 1.00 1.54 H new ATOM 0 HE2 TYR A 184 135.247 17.004 -0.522 1.00 1.31 H new ATOM 0 HH TYR A 184 135.679 18.592 0.990 1.00 0.89 H new ATOM 2863 N LEU A 185 139.180 16.326 -3.555 1.00 0.69 N ATOM 2864 CA LEU A 185 140.082 16.247 -2.361 1.00 0.69 C ATOM 2865 C LEU A 185 141.477 16.758 -2.758 1.00 0.72 C ATOM 2866 O LEU A 185 142.226 17.222 -1.913 1.00 0.78 O ATOM 2867 CB LEU A 185 140.140 14.797 -1.819 1.00 0.64 C ATOM 2868 CG LEU A 185 139.028 14.514 -0.768 1.00 0.62 C ATOM 2869 CD1 LEU A 185 139.567 14.828 0.625 1.00 0.91 C ATOM 2870 CD2 LEU A 185 137.747 15.345 -1.000 1.00 0.81 C ATOM 0 H LEU A 185 138.749 15.443 -3.830 1.00 0.69 H new ATOM 0 HA LEU A 185 139.692 16.874 -1.559 1.00 0.69 H new ATOM 0 HB2 LEU A 185 140.039 14.097 -2.649 1.00 0.64 H new ATOM 0 HB3 LEU A 185 141.116 14.619 -1.368 1.00 0.64 H new ATOM 0 HG LEU A 185 138.757 13.463 -0.867 1.00 0.62 H new ATOM 0 HD11 LEU A 185 138.793 14.632 1.367 1.00 0.91 H new ATOM 0 HD12 LEU A 185 140.434 14.200 0.830 1.00 0.91 H new ATOM 0 HD13 LEU A 185 139.860 15.877 0.674 1.00 0.91 H new ATOM 0 HD21 LEU A 185 137.011 15.101 -0.234 1.00 0.81 H new ATOM 0 HD22 LEU A 185 137.988 16.407 -0.947 1.00 0.81 H new ATOM 0 HD23 LEU A 185 137.337 15.115 -1.983 1.00 0.81 H new ATOM 2882 N SER A 186 141.809 16.726 -4.049 1.00 0.72 N ATOM 2883 CA SER A 186 143.130 17.264 -4.507 1.00 0.79 C ATOM 2884 C SER A 186 143.110 18.796 -4.332 1.00 0.91 C ATOM 2885 O SER A 186 144.132 19.420 -4.103 1.00 1.04 O ATOM 2886 CB SER A 186 143.359 16.900 -5.983 1.00 0.79 C ATOM 2887 OG SER A 186 142.561 17.730 -6.826 1.00 1.31 O ATOM 0 H SER A 186 141.217 16.350 -4.790 1.00 0.72 H new ATOM 0 HA SER A 186 143.940 16.832 -3.919 1.00 0.79 H new ATOM 0 HB2 SER A 186 144.413 17.020 -6.235 1.00 0.79 H new ATOM 0 HB3 SER A 186 143.108 15.852 -6.150 1.00 0.79 H new ATOM 0 HG SER A 186 141.614 17.515 -6.695 1.00 1.31 H new ATOM 2893 N GLU A 187 141.928 19.383 -4.424 1.00 0.92 N ATOM 2894 CA GLU A 187 141.743 20.862 -4.252 1.00 1.07 C ATOM 2895 C GLU A 187 141.413 21.147 -2.780 1.00 1.19 C ATOM 2896 O GLU A 187 140.754 22.132 -2.463 1.00 1.53 O ATOM 2897 CB GLU A 187 140.541 21.291 -5.112 1.00 1.09 C ATOM 2898 CG GLU A 187 141.007 22.140 -6.303 1.00 1.21 C ATOM 2899 CD GLU A 187 139.792 22.706 -7.053 1.00 1.88 C ATOM 2900 OE1 GLU A 187 138.834 23.097 -6.400 1.00 2.68 O ATOM 2901 OE2 GLU A 187 139.844 22.747 -8.271 1.00 2.32 O ATOM 0 H GLU A 187 141.063 18.878 -4.617 1.00 0.92 H new ATOM 0 HA GLU A 187 142.644 21.400 -4.547 1.00 1.07 H new ATOM 0 HB2 GLU A 187 140.011 20.409 -5.472 1.00 1.09 H new ATOM 0 HB3 GLU A 187 139.837 21.861 -4.505 1.00 1.09 H new ATOM 0 HG2 GLU A 187 141.641 22.955 -5.953 1.00 1.21 H new ATOM 0 HG3 GLU A 187 141.611 21.534 -6.978 1.00 1.21 H new ATOM 2908 N LYS A 188 141.822 20.270 -1.891 1.00 1.21 N ATOM 2909 CA LYS A 188 141.487 20.441 -0.462 1.00 1.37 C ATOM 2910 C LYS A 188 142.025 21.753 0.099 1.00 1.76 C ATOM 2911 O LYS A 188 141.337 22.431 0.847 1.00 1.94 O ATOM 2912 CB LYS A 188 142.040 19.249 0.369 1.00 1.37 C ATOM 2913 CG LYS A 188 140.932 18.253 0.819 1.00 1.42 C ATOM 2914 CD LYS A 188 139.550 18.916 1.095 1.00 2.00 C ATOM 2915 CE LYS A 188 139.175 18.859 2.575 1.00 2.68 C ATOM 2916 NZ LYS A 188 138.601 20.184 2.981 1.00 3.48 N ATOM 0 H LYS A 188 142.377 19.442 -2.108 1.00 1.21 H new ATOM 0 HA LYS A 188 140.400 20.467 -0.387 1.00 1.37 H new ATOM 0 HB2 LYS A 188 142.782 18.714 -0.223 1.00 1.37 H new ATOM 0 HB3 LYS A 188 142.553 19.635 1.250 1.00 1.37 H new ATOM 0 HG2 LYS A 188 140.809 17.491 0.049 1.00 1.42 H new ATOM 0 HG3 LYS A 188 141.264 17.742 1.723 1.00 1.42 H new ATOM 0 HD2 LYS A 188 139.574 19.955 0.767 1.00 2.00 H new ATOM 0 HD3 LYS A 188 138.782 18.413 0.507 1.00 2.00 H new ATOM 0 HE2 LYS A 188 138.450 18.064 2.750 1.00 2.68 H new ATOM 0 HE3 LYS A 188 140.053 18.628 3.178 1.00 2.68 H new ATOM 0 HZ1 LYS A 188 138.531 20.229 4.018 1.00 3.48 H new ATOM 0 HZ2 LYS A 188 139.219 20.949 2.642 1.00 3.48 H new ATOM 0 HZ3 LYS A 188 137.654 20.294 2.565 1.00 3.48 H new ATOM 2930 N LYS A 189 143.247 22.094 -0.218 1.00 2.09 N ATOM 2931 CA LYS A 189 143.856 23.343 0.349 1.00 2.59 C ATOM 2932 C LYS A 189 142.995 24.572 0.042 1.00 2.92 C ATOM 2933 O LYS A 189 142.075 24.455 -0.751 1.00 3.40 O ATOM 2934 CB LYS A 189 145.281 23.542 -0.171 1.00 2.96 C ATOM 2935 CG LYS A 189 145.301 23.734 -1.680 1.00 3.17 C ATOM 2936 CD LYS A 189 146.564 24.533 -2.042 1.00 4.07 C ATOM 2937 CE LYS A 189 146.746 24.598 -3.559 1.00 4.66 C ATOM 2938 NZ LYS A 189 145.443 24.897 -4.216 1.00 5.33 N ATOM 2939 OXT LYS A 189 143.255 25.606 0.637 1.00 3.33 O ATOM 0 H LYS A 189 143.853 21.564 -0.845 1.00 2.09 H new ATOM 0 HA LYS A 189 143.899 23.225 1.432 1.00 2.59 H new ATOM 0 HB2 LYS A 189 145.729 24.410 0.313 1.00 2.96 H new ATOM 0 HB3 LYS A 189 145.891 22.679 0.095 1.00 2.96 H new ATOM 0 HG2 LYS A 189 145.303 22.769 -2.187 1.00 3.17 H new ATOM 0 HG3 LYS A 189 144.407 24.265 -2.008 1.00 3.17 H new ATOM 0 HD2 LYS A 189 146.491 25.542 -1.636 1.00 4.07 H new ATOM 0 HD3 LYS A 189 147.438 24.068 -1.585 1.00 4.07 H new ATOM 0 HE2 LYS A 189 147.476 25.367 -3.813 1.00 4.66 H new ATOM 0 HE3 LYS A 189 147.139 23.651 -3.927 1.00 4.66 H new ATOM 0 HZ1 LYS A 189 145.612 25.237 -5.184 1.00 5.33 H new ATOM 0 HZ2 LYS A 189 144.865 24.033 -4.249 1.00 5.33 H new ATOM 0 HZ3 LYS A 189 144.941 25.629 -3.674 1.00 5.33 H new TER 2953 LYS A 189 END