USER MOD reduce.3.24.130724 H: found=0, std=0, add=1496, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1491 hydrogens (0 hets) HEADER COMPLEX (APOPTOSIS/PEPTIDE) 16-OCT-96 1BXL TITLE STRUCTURE OF BCL-XL/BAK PEPTIDE COMPLEX, NMR, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: BCL-XL; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: BAK PEPTIDE; COMPND 7 CHAIN: B; COMPND 8 FRAGMENT: RESIDUES 572 - 587 OF BAK PROTEIN; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 STRAIN: HMS174 (DE3); SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET29B; SOURCE 8 EXPRESSION_SYSTEM_GENE: HUMAN BCL-XL, RESIDUES 1-44, 85- SOURCE 9 205, DELETION MUTANT LACKING A FLEXIBLE LOOP (RESIDUES 45- SOURCE 0 84) AND THE C-TERMINAL HYDROPHOBIC REGION, WITH A C- SOURCE 1 TERMINAL HIS-TAG; SOURCE 2 MOL_ID: 2 KEYWDS APOPTOSIS, ALTERNATIVE SPLICING, COMPLEX (APOPTOSIS/PEPTIDE) EXPDTA SOLUTION NMR AUTHOR M.SATTLER,H.LIANG,D.NETTESHEIM,R.P.MEADOWS,J.E.HARLAN, AUTHOR 2 M.EBERSTADT,H.YOON,S.B.SHUKER,B.S.CHANG,A.J.MINN, AUTHOR 3 C.B.THOMPSON,S.W.FESIK REVDAT 2 24-FEB-09 1BXL 1 VERSN REVDAT 1 29-OCT-97 1BXL 0 JRNL AUTH M.SATTLER,H.LIANG,D.NETTESHEIM,R.P.MEADOWS, JRNL AUTH 2 J.E.HARLAN,M.EBERSTADT,H.S.YOON,S.B.SHUKER, JRNL AUTH 3 B.S.CHANG,A.J.MINN,C.B.THOMPSON,S.W.FESIK JRNL TITL STRUCTURE OF BCL-XL-BAK PEPTIDE COMPLEX: JRNL TITL 2 RECOGNITION BETWEEN REGULATORS OF APOPTOSIS. JRNL REF SCIENCE V. 275 983 1997 JRNL REFN ISSN 0036-8075 JRNL PMID 9020082 JRNL DOI 10.1126/SCIENCE.275.5302.983 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BXL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NMR SPECTRA WERE RECORDED ON 1-3 MM SOLUTIONS OF BCL-XL REMARK 210 COMPLEXED WITH A BAK PEPTIDE IN 10 MM SODIUM PHOSPHATE BUFFER REMARK 210 (PH 6.5) AT 303K. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 45 REMARK 465 GLU A 46 REMARK 465 THR A 47 REMARK 465 PRO A 48 REMARK 465 SER A 49 REMARK 465 ALA A 50 REMARK 465 ILE A 51 REMARK 465 ASN A 52 REMARK 465 GLY A 53 REMARK 465 ASN A 54 REMARK 465 PRO A 55 REMARK 465 SER A 56 REMARK 465 TRP A 57 REMARK 465 HIS A 58 REMARK 465 LEU A 59 REMARK 465 ALA A 60 REMARK 465 ASP A 61 REMARK 465 SER A 62 REMARK 465 PRO A 63 REMARK 465 ALA A 64 REMARK 465 VAL A 65 REMARK 465 ASN A 66 REMARK 465 GLY A 67 REMARK 465 ALA A 68 REMARK 465 THR A 69 REMARK 465 GLY A 70 REMARK 465 HIS A 71 REMARK 465 SER A 72 REMARK 465 SER A 73 REMARK 465 SER A 74 REMARK 465 LEU A 75 REMARK 465 ASP A 76 REMARK 465 ALA A 77 REMARK 465 ARG A 78 REMARK 465 GLU A 79 REMARK 465 VAL A 80 REMARK 465 ILE A 81 REMARK 465 PRO A 82 REMARK 465 MET A 83 REMARK 465 ALA A 84 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A -2 -179.96 -68.64 REMARK 500 MET A -1 -36.93 175.91 REMARK 500 ALA A 0 37.94 -166.28 REMARK 500 LYS A 20 -76.04 -55.72 REMARK 500 GLU A 32 -159.66 -62.29 REMARK 500 ASN A 33 77.46 66.94 REMARK 500 GLU A 36 -34.74 80.83 REMARK 500 ALA A 37 162.57 67.41 REMARK 500 GLU A 39 -38.80 -177.08 REMARK 500 GLU A 44 -78.06 -57.25 REMARK 500 PHE A 105 -73.41 -152.21 REMARK 500 SER A 106 -163.17 -178.08 REMARK 500 LEU A 108 -64.33 -100.45 REMARK 500 ILE A 114 135.35 65.03 REMARK 500 THR A 115 148.17 173.93 REMARK 500 PHE A 131 96.74 -63.09 REMARK 500 ASP A 133 -44.35 -160.14 REMARK 500 ASP A 176 -70.40 -122.47 REMARK 500 ASN A 185 54.81 -142.18 REMARK 500 GLU A 208 -83.73 57.88 REMARK 500 ARG A 209 -90.26 -39.36 REMARK 500 HIS A 212 -31.36 172.71 REMARK 500 HIS A 213 109.84 4.01 REMARK 500 HIS A 215 23.40 -152.89 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 6 0.25 SIDE_CHAIN REMARK 500 ARG A 34 0.32 SIDE_CHAIN REMARK 500 ARG A 91 0.31 SIDE_CHAIN REMARK 500 ARG A 100 0.23 SIDE_CHAIN REMARK 500 ARG A 102 0.32 SIDE_CHAIN REMARK 500 ARG A 103 0.31 SIDE_CHAIN REMARK 500 ARG A 132 0.21 SIDE_CHAIN REMARK 500 ARG A 139 0.32 SIDE_CHAIN REMARK 500 ARG A 165 0.23 SIDE_CHAIN REMARK 500 ARG A 204 0.29 SIDE_CHAIN REMARK 500 ARG A 209 0.31 SIDE_CHAIN REMARK 500 ARG B 576 0.25 SIDE_CHAIN REMARK 500 ARG B 587 0.29 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1BXL A 1 209 UNP Q07817 BCLX_HUMAN 1 209 DBREF 1BXL B 572 587 UNP Q16611 BAK_HUMAN 72 87 SEQRES 1 A 221 MET SER MET ALA MET SER GLN SER ASN ARG GLU LEU VAL SEQRES 2 A 221 VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR SEQRES 3 A 221 SER TRP SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 221 GLU ALA PRO GLU GLY THR GLU SER GLU MET GLU THR PRO SEQRES 5 A 221 SER ALA ILE ASN GLY ASN PRO SER TRP HIS LEU ALA ASP SEQRES 6 A 221 SER PRO ALA VAL ASN GLY ALA THR GLY HIS SER SER SER SEQRES 7 A 221 LEU ASP ALA ARG GLU VAL ILE PRO MET ALA ALA VAL LYS SEQRES 8 A 221 GLN ALA LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG SEQRES 9 A 221 TYR ARG ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS SEQRES 10 A 221 ILE THR PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL SEQRES 11 A 221 VAL ASN GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG SEQRES 12 A 221 ILE VAL ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL SEQRES 13 A 221 GLU SER VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG SEQRES 14 A 221 ILE ALA ALA TRP MET ALA THR TYR LEU ASN ASP HIS LEU SEQRES 15 A 221 GLU PRO TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE SEQRES 16 A 221 VAL GLU LEU TYR GLY ASN ASN ALA ALA ALA GLU SER ARG SEQRES 17 A 221 LYS GLY GLN GLU ARG LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 16 GLY GLN VAL GLY ARG GLN LEU ALA ILE ILE GLY ASP ASP SEQRES 2 B 16 ILE ASN ARG HELIX 1 1 GLN A 3 LYS A 20 1 18 HELIX 2 2 SER A 25 PHE A 27 5 3 HELIX 3 3 GLU A 42 ALA A 104 1 23 HELIX 4 4 ALA A 119 LEU A 130 1 12 HELIX 5 5 ARG A 139 LYS A 157 1 19 HELIX 6 6 GLN A 160 ASP A 176 1 17 HELIX 7 7 GLU A 179 ASN A 185 1 7 HELIX 8 8 GLY A 187 LEU A 194 1 8 HELIX 9 9 ALA A 199 ARG A 204 1 6 HELIX 10 10 ARG B 576 ASP B 584 1 9 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 195 TYR OH : rot 180:sc= 0.0682 USER MOD Set 1.2: B 586 ASN : amide:sc= -0.152 K(o=-0.083,f=-2!) USER MOD Set 2.1: A 213 HIS : no HD1:sc= -4.16 K(o=-7.2,f=-8) USER MOD Set 2.2: A 215 HIS : no HE2:sc= -3 K(o=-7.2,f=-10!) USER MOD Set 3.1: A 5 ASN : amide:sc= -2.02 X(o=-6.6,f=-6.6) USER MOD Set 3.2: A 175 ASN : amide:sc= -4.57 K(o=-6.6,f=-11!) USER MOD Set 4.1: A 115 THR OG1 : rot 180:sc= -0.823 USER MOD Set 4.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 19 GLN : amide:sc= -0.0378 K(o=-0.038,f=-2.1!) USER MOD Set 6.1: A 16 LYS NZ :NH3+ 162:sc= -1.24 (180deg=-1.29) USER MOD Set 6.2: A 145 SER OG : rot 166:sc= 0.0995 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -48:sc= 0.0328 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -146:sc= -0.312 (180deg=-2.2!) USER MOD Single : A -2 SER OG : rot 180:sc= 0.00796 USER MOD Single : A -3 MET CE :methyl -139:sc= -0.605 (180deg=-1.22) USER MOD Single : A -3 MET N :NH3+ 170:sc= -0.0343 (180deg=-0.219) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.052 K(o=-0.052,f=-1.5!) USER MOD Single : A 28 SER OG : rot 172:sc= 1.65 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.668 (180deg=-2.3!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -130:sc= -5.11! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.5!) USER MOD Single : A 113 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0.0014) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.7!) USER MOD Single : A 122 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 125 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.69) USER MOD Single : A 128 ASN : amide:sc= -0.178 K(o=-0.18,f=-3!) USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 CYS SG : rot 79:sc= 0.916 USER MOD Single : A 154 SER OG : rot 89:sc= 0.994 USER MOD Single : A 157 LYS NZ :NH3+ 147:sc= 0.0677 (180deg=0) USER MOD Single : A 159 MET CE :methyl 161:sc= -8.05! (180deg=-10.2!) USER MOD Single : A 160 GLN : amide:sc=-0.00637 K(o=-0.0064,f=-1.6!) USER MOD Single : A 164 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -128:sc= -1.67 (180deg=-5.32!) USER MOD Single : A 172 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 173 TYR OH : rot -92:sc= 0.92 USER MOD Single : A 177 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.2) USER MOD Single : A 183 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.3) USER MOD Single : A 185 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 190 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 197 ASN : amide:sc= -0.85 K(o=-0.85,f=-3.1!) USER MOD Single : A 198 ASN : amide:sc= -0.969 K(o=-0.97,f=-4.6!) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.7!) USER MOD Single : A 212 HIS : no HD1:sc= -0.901 K(o=-0.9,f=-2.2!) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 216 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.1!) USER MOD Single : A 217 HIS : no HD1:sc= -4 K(o=-4,f=-4.8!) USER MOD Single : B 573 GLN : amide:sc= -0.0928 K(o=-0.093,f=-2.3!) USER MOD Single : B 577 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -3 5.278 19.586 18.040 1.00 5.75 N ATOM 2 CA MET A -3 5.520 20.092 16.660 1.00 5.29 C ATOM 3 C MET A -3 4.684 19.283 15.665 1.00 4.68 C ATOM 4 O MET A -3 5.059 19.107 14.523 1.00 4.85 O ATOM 5 CB MET A -3 7.004 19.946 16.317 1.00 5.39 C ATOM 6 CG MET A -3 7.700 21.300 16.469 1.00 5.65 C ATOM 7 SD MET A -3 7.150 22.412 15.150 1.00 6.43 S ATOM 8 CE MET A -3 6.266 23.590 16.202 1.00 6.92 C ATOM 0 H1 MET A -3 5.965 20.015 18.693 1.00 5.75 H new ATOM 0 H2 MET A -3 4.314 19.837 18.338 1.00 5.75 H new ATOM 0 H3 MET A -3 5.386 18.552 18.054 1.00 5.75 H new ATOM 0 HA MET A -3 5.235 21.143 16.603 1.00 5.29 H new ATOM 0 HB2 MET A -3 7.469 19.211 16.974 1.00 5.39 H new ATOM 0 HB3 MET A -3 7.118 19.579 15.297 1.00 5.39 H new ATOM 0 HG2 MET A -3 7.470 21.732 17.443 1.00 5.65 H new ATOM 0 HG3 MET A -3 8.782 21.172 16.424 1.00 5.65 H new ATOM 0 HE1 MET A -3 5.334 23.882 15.718 1.00 6.92 H new ATOM 0 HE2 MET A -3 6.046 23.126 17.163 1.00 6.92 H new ATOM 0 HE3 MET A -3 6.885 24.473 16.359 1.00 6.92 H new ATOM 20 N SER A -2 3.553 18.789 16.090 1.00 4.33 N ATOM 21 CA SER A -2 2.695 17.992 15.168 1.00 3.97 C ATOM 22 C SER A -2 2.118 18.906 14.086 1.00 2.79 C ATOM 23 O SER A -2 2.375 20.093 14.060 1.00 2.77 O ATOM 24 CB SER A -2 1.552 17.356 15.960 1.00 4.77 C ATOM 25 OG SER A -2 1.035 16.249 15.232 1.00 5.35 O ATOM 0 H SER A -2 3.186 18.903 17.035 1.00 4.33 H new ATOM 0 HA SER A -2 3.294 17.211 14.700 1.00 3.97 H new ATOM 0 HB2 SER A -2 1.909 17.029 16.937 1.00 4.77 H new ATOM 0 HB3 SER A -2 0.765 18.089 16.137 1.00 4.77 H new ATOM 0 HG SER A -2 0.303 15.838 15.738 1.00 5.35 H new ATOM 31 N MET A -1 1.338 18.361 13.192 1.00 2.30 N ATOM 32 CA MET A -1 0.744 19.197 12.111 1.00 1.55 C ATOM 33 C MET A -1 -0.038 18.300 11.149 1.00 1.39 C ATOM 34 O MET A -1 -1.077 18.674 10.641 1.00 1.85 O ATOM 35 CB MET A -1 1.859 19.913 11.347 1.00 1.96 C ATOM 36 CG MET A -1 1.629 21.424 11.405 1.00 2.44 C ATOM 37 SD MET A -1 0.571 21.927 10.026 1.00 3.32 S ATOM 38 CE MET A -1 1.746 21.571 8.697 1.00 3.41 C ATOM 0 H MET A -1 1.087 17.373 13.164 1.00 2.30 H new ATOM 0 HA MET A -1 0.073 19.936 12.549 1.00 1.55 H new ATOM 0 HB2 MET A -1 2.828 19.665 11.780 1.00 1.96 H new ATOM 0 HB3 MET A -1 1.878 19.577 10.310 1.00 1.96 H new ATOM 0 HG2 MET A -1 1.163 21.696 12.352 1.00 2.44 H new ATOM 0 HG3 MET A -1 2.583 21.950 11.356 1.00 2.44 H new ATOM 0 HE1 MET A -1 1.616 22.295 7.892 1.00 3.41 H new ATOM 0 HE2 MET A -1 2.763 21.637 9.083 1.00 3.41 H new ATOM 0 HE3 MET A -1 1.568 20.566 8.314 1.00 3.41 H new ATOM 48 N ALA A 0 0.453 17.119 10.895 1.00 1.11 N ATOM 49 CA ALA A 0 -0.261 16.198 9.967 1.00 0.96 C ATOM 50 C ALA A 0 0.316 14.791 10.102 1.00 0.87 C ATOM 51 O ALA A 0 0.455 14.075 9.132 1.00 0.79 O ATOM 52 CB ALA A 0 -0.075 16.677 8.528 1.00 0.92 C ATOM 0 H ALA A 0 1.319 16.752 11.290 1.00 1.11 H new ATOM 0 HA ALA A 0 -1.322 16.187 10.217 1.00 0.96 H new ATOM 0 HB1 ALA A 0 -0.598 16.003 7.850 1.00 0.92 H new ATOM 0 HB2 ALA A 0 -0.481 17.683 8.424 1.00 0.92 H new ATOM 0 HB3 ALA A 0 0.987 16.687 8.282 1.00 0.92 H new ATOM 58 N MET A 1 0.656 14.387 11.292 1.00 0.96 N ATOM 59 CA MET A 1 1.224 13.024 11.470 1.00 0.97 C ATOM 60 C MET A 1 0.092 11.995 11.433 1.00 0.93 C ATOM 61 O MET A 1 0.265 10.883 10.976 1.00 0.95 O ATOM 62 CB MET A 1 1.950 12.942 12.814 1.00 1.16 C ATOM 63 CG MET A 1 3.461 13.006 12.583 1.00 1.24 C ATOM 64 SD MET A 1 4.197 11.396 12.962 1.00 1.48 S ATOM 65 CE MET A 1 4.468 10.862 11.254 1.00 1.37 C ATOM 0 H MET A 1 0.566 14.938 12.145 1.00 0.96 H new ATOM 0 HA MET A 1 1.931 12.816 10.667 1.00 0.97 H new ATOM 0 HB2 MET A 1 1.635 13.762 13.460 1.00 1.16 H new ATOM 0 HB3 MET A 1 1.688 12.015 13.325 1.00 1.16 H new ATOM 0 HG2 MET A 1 3.670 13.279 11.549 1.00 1.24 H new ATOM 0 HG3 MET A 1 3.904 13.778 13.213 1.00 1.24 H new ATOM 0 HE1 MET A 1 4.924 9.872 11.250 1.00 1.37 H new ATOM 0 HE2 MET A 1 3.514 10.824 10.729 1.00 1.37 H new ATOM 0 HE3 MET A 1 5.130 11.568 10.753 1.00 1.37 H new ATOM 75 N SER A 2 -1.067 12.359 11.909 1.00 0.93 N ATOM 76 CA SER A 2 -2.211 11.404 11.900 1.00 0.95 C ATOM 77 C SER A 2 -3.066 11.656 10.657 1.00 0.87 C ATOM 78 O SER A 2 -3.620 10.744 10.077 1.00 0.89 O ATOM 79 CB SER A 2 -3.061 11.613 13.154 1.00 1.07 C ATOM 80 OG SER A 2 -3.057 10.420 13.928 1.00 1.80 O ATOM 0 H SER A 2 -1.271 13.277 12.304 1.00 0.93 H new ATOM 0 HA SER A 2 -1.834 10.381 11.885 1.00 0.95 H new ATOM 0 HB2 SER A 2 -2.666 12.442 13.741 1.00 1.07 H new ATOM 0 HB3 SER A 2 -4.081 11.876 12.876 1.00 1.07 H new ATOM 0 HG SER A 2 -3.243 9.653 13.347 1.00 1.80 H new ATOM 86 N GLN A 3 -3.174 12.889 10.244 1.00 0.83 N ATOM 87 CA GLN A 3 -3.991 13.205 9.039 1.00 0.82 C ATOM 88 C GLN A 3 -3.247 12.738 7.785 1.00 0.71 C ATOM 89 O GLN A 3 -3.848 12.368 6.797 1.00 0.73 O ATOM 90 CB GLN A 3 -4.220 14.716 8.962 1.00 0.88 C ATOM 91 CG GLN A 3 -5.430 15.005 8.071 1.00 1.29 C ATOM 92 CD GLN A 3 -6.126 16.280 8.552 1.00 1.54 C ATOM 93 OE1 GLN A 3 -5.477 17.243 8.908 1.00 2.06 O ATOM 94 NE2 GLN A 3 -7.430 16.326 8.577 1.00 2.09 N ATOM 0 H GLN A 3 -2.731 13.692 10.690 1.00 0.83 H new ATOM 0 HA GLN A 3 -4.952 12.694 9.105 1.00 0.82 H new ATOM 0 HB2 GLN A 3 -4.386 15.121 9.960 1.00 0.88 H new ATOM 0 HB3 GLN A 3 -3.334 15.209 8.561 1.00 0.88 H new ATOM 0 HG2 GLN A 3 -5.112 15.120 7.035 1.00 1.29 H new ATOM 0 HG3 GLN A 3 -6.125 14.166 8.100 1.00 1.29 H new ATOM 0 HE21 GLN A 3 -7.975 15.517 8.278 1.00 2.09 H new ATOM 0 HE22 GLN A 3 -7.904 17.171 8.896 1.00 2.09 H new ATOM 103 N SER A 4 -1.943 12.754 7.819 1.00 0.66 N ATOM 104 CA SER A 4 -1.161 12.311 6.630 1.00 0.59 C ATOM 105 C SER A 4 -1.454 10.838 6.343 1.00 0.54 C ATOM 106 O SER A 4 -1.378 10.396 5.220 1.00 0.50 O ATOM 107 CB SER A 4 0.332 12.486 6.908 1.00 0.66 C ATOM 108 OG SER A 4 1.079 11.873 5.865 1.00 0.74 O ATOM 0 H SER A 4 -1.385 13.055 8.618 1.00 0.66 H new ATOM 0 HA SER A 4 -1.445 12.913 5.766 1.00 0.59 H new ATOM 0 HB2 SER A 4 0.580 13.545 6.974 1.00 0.66 H new ATOM 0 HB3 SER A 4 0.590 12.038 7.868 1.00 0.66 H new ATOM 0 HG SER A 4 2.037 11.985 6.039 1.00 0.74 H new ATOM 114 N ASN A 5 -1.789 10.073 7.348 1.00 0.56 N ATOM 115 CA ASN A 5 -2.085 8.627 7.118 1.00 0.53 C ATOM 116 C ASN A 5 -3.217 8.493 6.096 1.00 0.50 C ATOM 117 O ASN A 5 -3.070 7.860 5.067 1.00 0.46 O ATOM 118 CB ASN A 5 -2.510 7.977 8.437 1.00 0.57 C ATOM 119 CG ASN A 5 -1.270 7.667 9.277 1.00 1.08 C ATOM 120 OD1 ASN A 5 -0.401 8.502 9.430 1.00 1.87 O ATOM 121 ND2 ASN A 5 -1.151 6.492 9.831 1.00 1.66 N ATOM 0 H ASN A 5 -1.871 10.385 8.316 1.00 0.56 H new ATOM 0 HA ASN A 5 -1.192 8.130 6.738 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -3.176 8.644 8.985 1.00 0.57 H new ATOM 0 HB3 ASN A 5 -3.067 7.061 8.240 1.00 0.57 H new ATOM 0 HD21 ASN A 5 -0.328 6.274 10.393 1.00 1.66 H new ATOM 0 HD22 ASN A 5 -1.881 5.791 9.702 1.00 1.66 H new ATOM 128 N ARG A 6 -4.346 9.087 6.370 1.00 0.54 N ATOM 129 CA ARG A 6 -5.487 9.000 5.416 1.00 0.53 C ATOM 130 C ARG A 6 -5.092 9.625 4.071 1.00 0.49 C ATOM 131 O ARG A 6 -5.712 9.376 3.058 1.00 0.47 O ATOM 132 CB ARG A 6 -6.687 9.753 5.993 1.00 0.61 C ATOM 133 CG ARG A 6 -7.649 10.123 4.863 1.00 0.68 C ATOM 134 CD ARG A 6 -9.044 10.363 5.440 1.00 0.81 C ATOM 135 NE ARG A 6 -8.970 11.406 6.502 1.00 1.84 N ATOM 136 CZ ARG A 6 -9.973 12.220 6.688 1.00 2.51 C ATOM 137 NH1 ARG A 6 -11.172 11.745 6.887 1.00 3.18 N ATOM 138 NH2 ARG A 6 -9.776 13.510 6.676 1.00 3.08 N ATOM 0 H ARG A 6 -4.528 9.629 7.215 1.00 0.54 H new ATOM 0 HA ARG A 6 -5.748 7.953 5.262 1.00 0.53 H new ATOM 0 HB2 ARG A 6 -7.197 9.134 6.731 1.00 0.61 H new ATOM 0 HB3 ARG A 6 -6.351 10.653 6.508 1.00 0.61 H new ATOM 0 HG2 ARG A 6 -7.297 11.018 4.350 1.00 0.68 H new ATOM 0 HG3 ARG A 6 -7.682 9.323 4.123 1.00 0.68 H new ATOM 0 HD2 ARG A 6 -9.726 10.680 4.651 1.00 0.81 H new ATOM 0 HD3 ARG A 6 -9.443 9.436 5.853 1.00 0.81 H new ATOM 0 HE ARG A 6 -8.136 11.484 7.083 1.00 1.84 H new ATOM 0 HH11 ARG A 6 -11.326 10.737 6.897 1.00 3.18 H new ATOM 0 HH12 ARG A 6 -11.955 12.382 7.032 1.00 3.18 H new ATOM 0 HH21 ARG A 6 -8.839 13.881 6.521 1.00 3.08 H new ATOM 0 HH22 ARG A 6 -10.559 14.147 6.821 1.00 3.08 H new ATOM 152 N GLU A 7 -4.069 10.439 4.053 1.00 0.50 N ATOM 153 CA GLU A 7 -3.639 11.079 2.778 1.00 0.50 C ATOM 154 C GLU A 7 -2.848 10.075 1.932 1.00 0.44 C ATOM 155 O GLU A 7 -2.889 10.104 0.718 1.00 0.43 O ATOM 156 CB GLU A 7 -2.754 12.282 3.107 1.00 0.54 C ATOM 157 CG GLU A 7 -2.193 12.881 1.819 1.00 0.80 C ATOM 158 CD GLU A 7 -3.329 13.103 0.819 1.00 0.70 C ATOM 159 OE1 GLU A 7 -4.135 13.988 1.056 1.00 1.58 O ATOM 160 OE2 GLU A 7 -3.374 12.386 -0.166 1.00 1.08 O ATOM 0 H GLU A 7 -3.512 10.688 4.870 1.00 0.50 H new ATOM 0 HA GLU A 7 -4.514 11.402 2.215 1.00 0.50 H new ATOM 0 HB2 GLU A 7 -3.331 13.033 3.646 1.00 0.54 H new ATOM 0 HB3 GLU A 7 -1.938 11.976 3.762 1.00 0.54 H new ATOM 0 HG2 GLU A 7 -1.693 13.826 2.033 1.00 0.80 H new ATOM 0 HG3 GLU A 7 -1.444 12.214 1.392 1.00 0.80 H new ATOM 167 N LEU A 8 -2.128 9.186 2.563 1.00 0.42 N ATOM 168 CA LEU A 8 -1.337 8.181 1.794 1.00 0.38 C ATOM 169 C LEU A 8 -2.282 7.132 1.210 1.00 0.37 C ATOM 170 O LEU A 8 -2.133 6.704 0.084 1.00 0.38 O ATOM 171 CB LEU A 8 -0.339 7.477 2.721 1.00 0.39 C ATOM 172 CG LEU A 8 0.528 8.504 3.451 1.00 0.43 C ATOM 173 CD1 LEU A 8 1.786 7.820 3.979 1.00 0.44 C ATOM 174 CD2 LEU A 8 0.939 9.617 2.492 1.00 0.63 C ATOM 0 H LEU A 8 -2.053 9.112 3.578 1.00 0.42 H new ATOM 0 HA LEU A 8 -0.799 8.692 0.996 1.00 0.38 H new ATOM 0 HB2 LEU A 8 -0.876 6.864 3.445 1.00 0.39 H new ATOM 0 HB3 LEU A 8 0.293 6.805 2.141 1.00 0.39 H new ATOM 0 HG LEU A 8 -0.044 8.928 4.276 1.00 0.43 H new ATOM 0 HD11 LEU A 8 2.406 8.550 4.500 1.00 0.44 H new ATOM 0 HD12 LEU A 8 1.505 7.024 4.669 1.00 0.44 H new ATOM 0 HD13 LEU A 8 2.347 7.397 3.146 1.00 0.44 H new ATOM 0 HD21 LEU A 8 1.556 10.343 3.021 1.00 0.63 H new ATOM 0 HD22 LEU A 8 1.507 9.193 1.664 1.00 0.63 H new ATOM 0 HD23 LEU A 8 0.048 10.111 2.105 1.00 0.63 H new ATOM 186 N VAL A 9 -3.251 6.712 1.975 1.00 0.37 N ATOM 187 CA VAL A 9 -4.208 5.685 1.475 1.00 0.37 C ATOM 188 C VAL A 9 -5.082 6.279 0.368 1.00 0.38 C ATOM 189 O VAL A 9 -5.334 5.652 -0.642 1.00 0.45 O ATOM 190 CB VAL A 9 -5.096 5.227 2.634 1.00 0.42 C ATOM 191 CG1 VAL A 9 -6.389 4.622 2.085 1.00 0.42 C ATOM 192 CG2 VAL A 9 -4.351 4.176 3.461 1.00 0.45 C ATOM 0 H VAL A 9 -3.422 7.036 2.927 1.00 0.37 H new ATOM 0 HA VAL A 9 -3.653 4.837 1.072 1.00 0.37 H new ATOM 0 HB VAL A 9 -5.338 6.083 3.264 1.00 0.42 H new ATOM 0 HG11 VAL A 9 -7.019 4.297 2.913 1.00 0.42 H new ATOM 0 HG12 VAL A 9 -6.920 5.371 1.497 1.00 0.42 H new ATOM 0 HG13 VAL A 9 -6.151 3.767 1.453 1.00 0.42 H new ATOM 0 HG21 VAL A 9 -4.982 3.849 4.287 1.00 0.45 H new ATOM 0 HG22 VAL A 9 -4.108 3.322 2.829 1.00 0.45 H new ATOM 0 HG23 VAL A 9 -3.432 4.608 3.856 1.00 0.45 H new ATOM 202 N VAL A 10 -5.552 7.480 0.555 1.00 0.40 N ATOM 203 CA VAL A 10 -6.416 8.117 -0.479 1.00 0.41 C ATOM 204 C VAL A 10 -5.616 8.365 -1.762 1.00 0.40 C ATOM 205 O VAL A 10 -6.134 8.256 -2.855 1.00 0.44 O ATOM 206 CB VAL A 10 -6.943 9.449 0.058 1.00 0.45 C ATOM 207 CG1 VAL A 10 -7.749 10.156 -1.031 1.00 0.47 C ATOM 208 CG2 VAL A 10 -7.843 9.190 1.269 1.00 0.53 C ATOM 0 H VAL A 10 -5.375 8.050 1.382 1.00 0.40 H new ATOM 0 HA VAL A 10 -7.249 7.452 -0.707 1.00 0.41 H new ATOM 0 HB VAL A 10 -6.104 10.078 0.355 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.124 11.105 -0.648 1.00 0.47 H new ATOM 0 HG12 VAL A 10 -7.110 10.341 -1.895 1.00 0.47 H new ATOM 0 HG13 VAL A 10 -8.588 9.527 -1.328 1.00 0.47 H new ATOM 0 HG21 VAL A 10 -8.219 10.139 1.652 1.00 0.53 H new ATOM 0 HG22 VAL A 10 -8.682 8.561 0.971 1.00 0.53 H new ATOM 0 HG23 VAL A 10 -7.270 8.686 2.047 1.00 0.53 H new ATOM 218 N ASP A 11 -4.361 8.701 -1.641 1.00 0.43 N ATOM 219 CA ASP A 11 -3.540 8.959 -2.861 1.00 0.43 C ATOM 220 C ASP A 11 -3.218 7.637 -3.565 1.00 0.38 C ATOM 221 O ASP A 11 -3.070 7.585 -4.771 1.00 0.39 O ATOM 222 CB ASP A 11 -2.236 9.653 -2.459 1.00 0.49 C ATOM 223 CG ASP A 11 -1.835 10.653 -3.545 1.00 0.72 C ATOM 224 OD1 ASP A 11 -2.678 11.443 -3.936 1.00 1.37 O ATOM 225 OD2 ASP A 11 -0.691 10.611 -3.968 1.00 1.38 O ATOM 0 H ASP A 11 -3.869 8.808 -0.754 1.00 0.43 H new ATOM 0 HA ASP A 11 -4.102 9.598 -3.542 1.00 0.43 H new ATOM 0 HB2 ASP A 11 -2.364 10.166 -1.506 1.00 0.49 H new ATOM 0 HB3 ASP A 11 -1.446 8.915 -2.320 1.00 0.49 H new ATOM 230 N PHE A 12 -3.105 6.568 -2.825 1.00 0.37 N ATOM 231 CA PHE A 12 -2.790 5.254 -3.457 1.00 0.36 C ATOM 232 C PHE A 12 -3.983 4.787 -4.294 1.00 0.33 C ATOM 233 O PHE A 12 -3.823 4.237 -5.366 1.00 0.44 O ATOM 234 CB PHE A 12 -2.496 4.221 -2.367 1.00 0.41 C ATOM 235 CG PHE A 12 -1.534 3.185 -2.901 1.00 0.38 C ATOM 236 CD1 PHE A 12 -1.977 2.225 -3.817 1.00 1.36 C ATOM 237 CD2 PHE A 12 -0.199 3.186 -2.479 1.00 1.18 C ATOM 238 CE1 PHE A 12 -1.086 1.265 -4.312 1.00 1.42 C ATOM 239 CE2 PHE A 12 0.693 2.227 -2.974 1.00 1.18 C ATOM 240 CZ PHE A 12 0.249 1.266 -3.890 1.00 0.57 C ATOM 0 H PHE A 12 -3.217 6.547 -1.811 1.00 0.37 H new ATOM 0 HA PHE A 12 -1.917 5.363 -4.101 1.00 0.36 H new ATOM 0 HB2 PHE A 12 -2.070 4.711 -1.492 1.00 0.41 H new ATOM 0 HB3 PHE A 12 -3.421 3.742 -2.046 1.00 0.41 H new ATOM 0 HD1 PHE A 12 -3.007 2.224 -4.143 1.00 1.36 H new ATOM 0 HD2 PHE A 12 0.143 3.927 -1.771 1.00 1.18 H new ATOM 0 HE1 PHE A 12 -1.428 0.524 -5.019 1.00 1.42 H new ATOM 0 HE2 PHE A 12 1.723 2.229 -2.649 1.00 1.18 H new ATOM 0 HZ PHE A 12 0.936 0.525 -4.271 1.00 0.57 H new ATOM 250 N LEU A 13 -5.178 4.997 -3.815 1.00 0.32 N ATOM 251 CA LEU A 13 -6.376 4.560 -4.587 1.00 0.34 C ATOM 252 C LEU A 13 -6.657 5.551 -5.719 1.00 0.34 C ATOM 253 O LEU A 13 -7.237 5.203 -6.728 1.00 0.39 O ATOM 254 CB LEU A 13 -7.588 4.493 -3.656 1.00 0.39 C ATOM 255 CG LEU A 13 -7.248 3.637 -2.434 1.00 0.53 C ATOM 256 CD1 LEU A 13 -8.524 3.337 -1.647 1.00 0.63 C ATOM 257 CD2 LEU A 13 -6.617 2.323 -2.896 1.00 0.99 C ATOM 0 H LEU A 13 -5.377 5.452 -2.924 1.00 0.32 H new ATOM 0 HA LEU A 13 -6.187 3.574 -5.012 1.00 0.34 H new ATOM 0 HB2 LEU A 13 -7.874 5.497 -3.342 1.00 0.39 H new ATOM 0 HB3 LEU A 13 -8.442 4.069 -4.184 1.00 0.39 H new ATOM 0 HG LEU A 13 -6.547 4.177 -1.797 1.00 0.53 H new ATOM 0 HD11 LEU A 13 -8.280 2.727 -0.777 1.00 0.63 H new ATOM 0 HD12 LEU A 13 -8.978 4.272 -1.319 1.00 0.63 H new ATOM 0 HD13 LEU A 13 -9.225 2.797 -2.283 1.00 0.63 H new ATOM 0 HD21 LEU A 13 -6.374 1.711 -2.027 1.00 0.99 H new ATOM 0 HD22 LEU A 13 -7.320 1.786 -3.533 1.00 0.99 H new ATOM 0 HD23 LEU A 13 -5.707 2.534 -3.458 1.00 0.99 H new ATOM 269 N SER A 14 -6.253 6.783 -5.568 1.00 0.34 N ATOM 270 CA SER A 14 -6.505 7.781 -6.645 1.00 0.40 C ATOM 271 C SER A 14 -5.692 7.406 -7.886 1.00 0.42 C ATOM 272 O SER A 14 -6.195 7.406 -8.993 1.00 0.52 O ATOM 273 CB SER A 14 -6.088 9.171 -6.162 1.00 0.42 C ATOM 274 OG SER A 14 -6.888 10.152 -6.810 1.00 1.17 O ATOM 0 H SER A 14 -5.761 7.140 -4.749 1.00 0.34 H new ATOM 0 HA SER A 14 -7.566 7.788 -6.893 1.00 0.40 H new ATOM 0 HB2 SER A 14 -6.207 9.244 -5.081 1.00 0.42 H new ATOM 0 HB3 SER A 14 -5.034 9.343 -6.379 1.00 0.42 H new ATOM 0 HG SER A 14 -6.625 11.044 -6.502 1.00 1.17 H new ATOM 280 N TYR A 15 -4.438 7.088 -7.712 1.00 0.43 N ATOM 281 CA TYR A 15 -3.595 6.715 -8.883 1.00 0.49 C ATOM 282 C TYR A 15 -3.909 5.278 -9.310 1.00 0.47 C ATOM 283 O TYR A 15 -3.775 4.922 -10.464 1.00 0.51 O ATOM 284 CB TYR A 15 -2.117 6.820 -8.501 1.00 0.54 C ATOM 285 CG TYR A 15 -1.355 5.671 -9.115 1.00 0.58 C ATOM 286 CD1 TYR A 15 -0.856 5.779 -10.419 1.00 1.04 C ATOM 287 CD2 TYR A 15 -1.146 4.497 -8.381 1.00 1.37 C ATOM 288 CE1 TYR A 15 -0.149 4.713 -10.989 1.00 1.18 C ATOM 289 CE2 TYR A 15 -0.438 3.431 -8.951 1.00 1.61 C ATOM 290 CZ TYR A 15 0.060 3.539 -10.255 1.00 1.17 C ATOM 291 OH TYR A 15 0.757 2.489 -10.816 1.00 1.53 O ATOM 0 H TYR A 15 -3.961 7.070 -6.810 1.00 0.43 H new ATOM 0 HA TYR A 15 -3.808 7.392 -9.710 1.00 0.49 H new ATOM 0 HB2 TYR A 15 -1.707 7.769 -8.848 1.00 0.54 H new ATOM 0 HB3 TYR A 15 -2.009 6.804 -7.417 1.00 0.54 H new ATOM 0 HD1 TYR A 15 -1.016 6.685 -10.985 1.00 1.04 H new ATOM 0 HD2 TYR A 15 -1.531 4.413 -7.375 1.00 1.37 H new ATOM 0 HE1 TYR A 15 0.235 4.796 -11.995 1.00 1.18 H new ATOM 0 HE2 TYR A 15 -0.276 2.526 -8.384 1.00 1.61 H new ATOM 0 HH TYR A 15 0.813 1.752 -10.172 1.00 1.53 H new ATOM 301 N LYS A 16 -4.325 4.450 -8.392 1.00 0.44 N ATOM 302 CA LYS A 16 -4.644 3.039 -8.751 1.00 0.44 C ATOM 303 C LYS A 16 -5.776 3.015 -9.781 1.00 0.45 C ATOM 304 O LYS A 16 -5.609 2.546 -10.889 1.00 0.58 O ATOM 305 CB LYS A 16 -5.078 2.278 -7.497 1.00 0.43 C ATOM 306 CG LYS A 16 -3.905 1.449 -6.971 1.00 0.73 C ATOM 307 CD LYS A 16 -3.922 0.067 -7.626 1.00 1.11 C ATOM 308 CE LYS A 16 -2.631 -0.138 -8.420 1.00 1.09 C ATOM 309 NZ LYS A 16 -2.372 -1.597 -8.577 1.00 1.78 N ATOM 0 H LYS A 16 -4.458 4.689 -7.409 1.00 0.44 H new ATOM 0 HA LYS A 16 -3.759 2.565 -9.175 1.00 0.44 H new ATOM 0 HB2 LYS A 16 -5.414 2.978 -6.732 1.00 0.43 H new ATOM 0 HB3 LYS A 16 -5.922 1.628 -7.727 1.00 0.43 H new ATOM 0 HG2 LYS A 16 -2.963 1.954 -7.187 1.00 0.73 H new ATOM 0 HG3 LYS A 16 -3.973 1.350 -5.888 1.00 0.73 H new ATOM 0 HD2 LYS A 16 -4.020 -0.707 -6.864 1.00 1.11 H new ATOM 0 HD3 LYS A 16 -4.785 -0.024 -8.285 1.00 1.11 H new ATOM 0 HE2 LYS A 16 -2.714 0.335 -9.398 1.00 1.09 H new ATOM 0 HE3 LYS A 16 -1.796 0.337 -7.906 1.00 1.09 H new ATOM 0 HZ1 LYS A 16 -1.693 -1.748 -9.350 1.00 1.78 H new ATOM 0 HZ2 LYS A 16 -1.979 -1.977 -7.692 1.00 1.78 H new ATOM 0 HZ3 LYS A 16 -3.263 -2.086 -8.798 1.00 1.78 H new ATOM 323 N LEU A 17 -6.927 3.516 -9.424 1.00 0.44 N ATOM 324 CA LEU A 17 -8.067 3.521 -10.384 1.00 0.49 C ATOM 325 C LEU A 17 -7.704 4.372 -11.602 1.00 0.51 C ATOM 326 O LEU A 17 -8.014 4.029 -12.725 1.00 0.50 O ATOM 327 CB LEU A 17 -9.306 4.108 -9.703 1.00 0.54 C ATOM 328 CG LEU A 17 -9.954 3.045 -8.813 1.00 0.60 C ATOM 329 CD1 LEU A 17 -10.467 3.698 -7.529 1.00 0.72 C ATOM 330 CD2 LEU A 17 -11.126 2.403 -9.558 1.00 0.48 C ATOM 0 H LEU A 17 -7.127 3.922 -8.510 1.00 0.44 H new ATOM 0 HA LEU A 17 -8.277 2.500 -10.703 1.00 0.49 H new ATOM 0 HB2 LEU A 17 -9.028 4.977 -9.106 1.00 0.54 H new ATOM 0 HB3 LEU A 17 -10.018 4.452 -10.454 1.00 0.54 H new ATOM 0 HG LEU A 17 -9.217 2.282 -8.564 1.00 0.60 H new ATOM 0 HD11 LEU A 17 -10.929 2.941 -6.895 1.00 0.72 H new ATOM 0 HD12 LEU A 17 -9.634 4.158 -6.997 1.00 0.72 H new ATOM 0 HD13 LEU A 17 -11.204 4.461 -7.778 1.00 0.72 H new ATOM 0 HD21 LEU A 17 -11.588 1.646 -8.925 1.00 0.48 H new ATOM 0 HD22 LEU A 17 -11.862 3.168 -9.806 1.00 0.48 H new ATOM 0 HD23 LEU A 17 -10.763 1.938 -10.475 1.00 0.48 H new ATOM 342 N SER A 18 -7.047 5.481 -11.389 1.00 0.60 N ATOM 343 CA SER A 18 -6.665 6.351 -12.537 1.00 0.65 C ATOM 344 C SER A 18 -5.873 5.531 -13.558 1.00 0.60 C ATOM 345 O SER A 18 -5.911 5.794 -14.743 1.00 0.60 O ATOM 346 CB SER A 18 -5.802 7.509 -12.033 1.00 0.83 C ATOM 347 OG SER A 18 -5.628 8.455 -13.079 1.00 1.30 O ATOM 0 H SER A 18 -6.759 5.821 -10.471 1.00 0.60 H new ATOM 0 HA SER A 18 -7.565 6.746 -13.009 1.00 0.65 H new ATOM 0 HB2 SER A 18 -6.276 7.983 -11.173 1.00 0.83 H new ATOM 0 HB3 SER A 18 -4.833 7.137 -11.699 1.00 0.83 H new ATOM 0 HG SER A 18 -5.077 9.199 -12.759 1.00 1.30 H new ATOM 353 N GLN A 19 -5.157 4.538 -13.107 1.00 0.65 N ATOM 354 CA GLN A 19 -4.364 3.701 -14.051 1.00 0.73 C ATOM 355 C GLN A 19 -5.299 3.079 -15.090 1.00 0.68 C ATOM 356 O GLN A 19 -5.207 3.358 -16.269 1.00 0.81 O ATOM 357 CB GLN A 19 -3.655 2.590 -13.274 1.00 0.81 C ATOM 358 CG GLN A 19 -2.187 2.523 -13.701 1.00 0.82 C ATOM 359 CD GLN A 19 -1.590 1.183 -13.269 1.00 0.90 C ATOM 360 OE1 GLN A 19 -2.283 0.340 -12.735 1.00 1.52 O ATOM 361 NE2 GLN A 19 -0.324 0.949 -13.478 1.00 1.37 N ATOM 0 H GLN A 19 -5.087 4.270 -12.125 1.00 0.65 H new ATOM 0 HA GLN A 19 -3.624 4.323 -14.554 1.00 0.73 H new ATOM 0 HB2 GLN A 19 -3.725 2.780 -12.203 1.00 0.81 H new ATOM 0 HB3 GLN A 19 -4.143 1.633 -13.461 1.00 0.81 H new ATOM 0 HG2 GLN A 19 -2.106 2.637 -14.782 1.00 0.82 H new ATOM 0 HG3 GLN A 19 -1.629 3.344 -13.251 1.00 0.82 H new ATOM 0 HE21 GLN A 19 0.258 1.656 -13.926 1.00 1.37 H new ATOM 0 HE22 GLN A 19 0.084 0.059 -13.193 1.00 1.37 H new ATOM 370 N LYS A 20 -6.199 2.236 -14.662 1.00 0.62 N ATOM 371 CA LYS A 20 -7.139 1.597 -15.626 1.00 0.63 C ATOM 372 C LYS A 20 -7.879 2.680 -16.414 1.00 1.03 C ATOM 373 O LYS A 20 -7.582 2.935 -17.564 1.00 1.52 O ATOM 374 CB LYS A 20 -8.152 0.743 -14.859 1.00 0.79 C ATOM 375 CG LYS A 20 -7.496 -0.573 -14.439 1.00 0.79 C ATOM 376 CD LYS A 20 -8.220 -1.741 -15.110 1.00 1.20 C ATOM 377 CE LYS A 20 -7.844 -3.047 -14.408 1.00 1.33 C ATOM 378 NZ LYS A 20 -7.439 -4.059 -15.424 1.00 2.18 N ATOM 0 H LYS A 20 -6.324 1.962 -13.687 1.00 0.62 H new ATOM 0 HA LYS A 20 -6.578 0.966 -16.316 1.00 0.63 H new ATOM 0 HB2 LYS A 20 -8.506 1.282 -13.980 1.00 0.79 H new ATOM 0 HB3 LYS A 20 -9.023 0.544 -15.484 1.00 0.79 H new ATOM 0 HG2 LYS A 20 -6.443 -0.573 -14.722 1.00 0.79 H new ATOM 0 HG3 LYS A 20 -7.535 -0.681 -13.355 1.00 0.79 H new ATOM 0 HD2 LYS A 20 -9.298 -1.589 -15.064 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -7.950 -1.792 -16.165 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -7.028 -2.873 -13.707 1.00 1.33 H new ATOM 0 HE3 LYS A 20 -8.689 -3.417 -13.828 1.00 1.33 H new ATOM 0 HZ1 LYS A 20 -7.183 -4.947 -14.947 1.00 2.18 H new ATOM 0 HZ2 LYS A 20 -8.230 -4.232 -16.076 1.00 2.18 H new ATOM 0 HZ3 LYS A 20 -6.620 -3.705 -15.959 1.00 2.18 H new ATOM 392 N GLY A 21 -8.840 3.318 -15.805 1.00 1.19 N ATOM 393 CA GLY A 21 -9.598 4.383 -16.520 1.00 1.81 C ATOM 394 C GLY A 21 -10.855 4.738 -15.724 1.00 1.36 C ATOM 395 O GLY A 21 -11.929 4.885 -16.274 1.00 1.68 O ATOM 0 H GLY A 21 -9.133 3.148 -14.843 1.00 1.19 H new ATOM 0 HA2 GLY A 21 -8.973 5.267 -16.646 1.00 1.81 H new ATOM 0 HA3 GLY A 21 -9.871 4.041 -17.518 1.00 1.81 H new ATOM 399 N TYR A 22 -10.731 4.877 -14.432 1.00 0.79 N ATOM 400 CA TYR A 22 -11.920 5.223 -13.602 1.00 0.70 C ATOM 401 C TYR A 22 -11.563 6.367 -12.652 1.00 0.70 C ATOM 402 O TYR A 22 -10.417 6.556 -12.294 1.00 0.80 O ATOM 403 CB TYR A 22 -12.348 4.000 -12.788 1.00 0.86 C ATOM 404 CG TYR A 22 -12.532 2.819 -13.711 1.00 0.83 C ATOM 405 CD1 TYR A 22 -13.704 2.699 -14.469 1.00 1.51 C ATOM 406 CD2 TYR A 22 -11.533 1.844 -13.808 1.00 1.31 C ATOM 407 CE1 TYR A 22 -13.875 1.604 -15.324 1.00 1.58 C ATOM 408 CE2 TYR A 22 -11.704 0.748 -14.663 1.00 1.27 C ATOM 409 CZ TYR A 22 -12.875 0.628 -15.421 1.00 0.89 C ATOM 410 OH TYR A 22 -13.044 -0.451 -16.264 1.00 0.98 O ATOM 0 H TYR A 22 -9.858 4.766 -13.916 1.00 0.79 H new ATOM 0 HA TYR A 22 -12.739 5.532 -14.252 1.00 0.70 H new ATOM 0 HB2 TYR A 22 -11.596 3.771 -12.033 1.00 0.86 H new ATOM 0 HB3 TYR A 22 -13.278 4.210 -12.259 1.00 0.86 H new ATOM 0 HD1 TYR A 22 -14.475 3.451 -14.394 1.00 1.51 H new ATOM 0 HD2 TYR A 22 -10.630 1.937 -13.223 1.00 1.31 H new ATOM 0 HE1 TYR A 22 -14.778 1.512 -15.909 1.00 1.58 H new ATOM 0 HE2 TYR A 22 -10.933 -0.004 -14.738 1.00 1.27 H new ATOM 0 HH TYR A 22 -12.257 -1.032 -16.213 1.00 0.98 H new ATOM 420 N SER A 23 -12.536 7.133 -12.239 1.00 0.82 N ATOM 421 CA SER A 23 -12.252 8.263 -11.311 1.00 0.88 C ATOM 422 C SER A 23 -12.326 7.767 -9.866 1.00 0.82 C ATOM 423 O SER A 23 -12.915 6.744 -9.581 1.00 0.86 O ATOM 424 CB SER A 23 -13.286 9.369 -11.524 1.00 1.08 C ATOM 425 OG SER A 23 -13.109 9.936 -12.815 1.00 1.91 O ATOM 0 H SER A 23 -13.515 7.025 -12.504 1.00 0.82 H new ATOM 0 HA SER A 23 -11.254 8.655 -11.510 1.00 0.88 H new ATOM 0 HB2 SER A 23 -14.293 8.964 -11.427 1.00 1.08 H new ATOM 0 HB3 SER A 23 -13.176 10.137 -10.759 1.00 1.08 H new ATOM 0 HG SER A 23 -13.772 10.644 -12.955 1.00 1.91 H new ATOM 431 N TRP A 24 -11.732 8.483 -8.951 1.00 0.82 N ATOM 432 CA TRP A 24 -11.770 8.049 -7.526 1.00 0.79 C ATOM 433 C TRP A 24 -12.792 8.893 -6.763 1.00 0.70 C ATOM 434 O TRP A 24 -13.677 8.375 -6.115 1.00 0.63 O ATOM 435 CB TRP A 24 -10.387 8.235 -6.899 1.00 0.93 C ATOM 436 CG TRP A 24 -10.517 8.266 -5.410 1.00 0.85 C ATOM 437 CD1 TRP A 24 -10.587 9.388 -4.658 1.00 0.97 C ATOM 438 CD2 TRP A 24 -10.595 7.146 -4.481 1.00 0.72 C ATOM 439 NE1 TRP A 24 -10.700 9.029 -3.328 1.00 0.93 N ATOM 440 CE2 TRP A 24 -10.710 7.658 -3.167 1.00 0.77 C ATOM 441 CE3 TRP A 24 -10.577 5.750 -4.649 1.00 0.63 C ATOM 442 CZ2 TRP A 24 -10.804 6.815 -2.059 1.00 0.74 C ATOM 443 CZ3 TRP A 24 -10.671 4.898 -3.537 1.00 0.60 C ATOM 444 CH2 TRP A 24 -10.784 5.430 -2.245 1.00 0.64 C ATOM 0 H TRP A 24 -11.223 9.349 -9.128 1.00 0.82 H new ATOM 0 HA TRP A 24 -12.055 6.998 -7.474 1.00 0.79 H new ATOM 0 HB2 TRP A 24 -9.727 7.422 -7.201 1.00 0.93 H new ATOM 0 HB3 TRP A 24 -9.936 9.161 -7.255 1.00 0.93 H new ATOM 0 HD1 TRP A 24 -10.559 10.400 -5.035 1.00 0.97 H new ATOM 0 HE1 TRP A 24 -10.768 9.696 -2.559 1.00 0.93 H new ATOM 0 HE3 TRP A 24 -10.490 5.330 -5.640 1.00 0.63 H new ATOM 0 HZ2 TRP A 24 -10.892 7.230 -1.066 1.00 0.74 H new ATOM 0 HZ3 TRP A 24 -10.656 3.827 -3.678 1.00 0.60 H new ATOM 0 HH2 TRP A 24 -10.856 4.770 -1.393 1.00 0.64 H new ATOM 455 N SER A 25 -12.676 10.191 -6.835 1.00 0.79 N ATOM 456 CA SER A 25 -13.640 11.071 -6.113 1.00 0.78 C ATOM 457 C SER A 25 -15.076 10.775 -6.565 1.00 0.65 C ATOM 458 O SER A 25 -16.025 11.090 -5.874 1.00 0.67 O ATOM 459 CB SER A 25 -13.308 12.534 -6.411 1.00 0.92 C ATOM 460 OG SER A 25 -14.316 13.367 -5.853 1.00 1.74 O ATOM 0 H SER A 25 -11.954 10.681 -7.363 1.00 0.79 H new ATOM 0 HA SER A 25 -13.560 10.880 -5.043 1.00 0.78 H new ATOM 0 HB2 SER A 25 -12.335 12.791 -5.992 1.00 0.92 H new ATOM 0 HB3 SER A 25 -13.244 12.692 -7.488 1.00 0.92 H new ATOM 0 HG SER A 25 -14.106 14.306 -6.041 1.00 1.74 H new ATOM 466 N GLN A 26 -15.247 10.180 -7.718 1.00 0.61 N ATOM 467 CA GLN A 26 -16.622 9.872 -8.211 1.00 0.59 C ATOM 468 C GLN A 26 -17.417 9.117 -7.140 1.00 0.56 C ATOM 469 O GLN A 26 -18.599 9.339 -6.964 1.00 0.67 O ATOM 470 CB GLN A 26 -16.526 9.009 -9.470 1.00 0.65 C ATOM 471 CG GLN A 26 -16.725 9.887 -10.707 1.00 0.80 C ATOM 472 CD GLN A 26 -17.101 9.008 -11.900 1.00 0.97 C ATOM 473 OE1 GLN A 26 -17.132 7.798 -11.792 1.00 1.44 O ATOM 474 NE2 GLN A 26 -17.389 9.568 -13.043 1.00 1.35 N ATOM 0 H GLN A 26 -14.491 9.894 -8.340 1.00 0.61 H new ATOM 0 HA GLN A 26 -17.134 10.807 -8.437 1.00 0.59 H new ATOM 0 HB2 GLN A 26 -15.555 8.517 -9.513 1.00 0.65 H new ATOM 0 HB3 GLN A 26 -17.281 8.223 -9.443 1.00 0.65 H new ATOM 0 HG2 GLN A 26 -17.508 10.622 -10.522 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -15.812 10.441 -10.923 1.00 0.80 H new ATOM 0 HE21 GLN A 26 -17.363 10.584 -13.134 1.00 1.35 H new ATOM 0 HE22 GLN A 26 -17.640 8.990 -13.845 1.00 1.35 H new ATOM 483 N PHE A 27 -16.786 8.226 -6.425 1.00 0.54 N ATOM 484 CA PHE A 27 -17.523 7.465 -5.374 1.00 0.59 C ATOM 485 C PHE A 27 -16.706 7.432 -4.080 1.00 0.72 C ATOM 486 O PHE A 27 -16.814 6.514 -3.292 1.00 1.39 O ATOM 487 CB PHE A 27 -17.761 6.034 -5.861 1.00 0.54 C ATOM 488 CG PHE A 27 -16.847 5.740 -7.026 1.00 0.49 C ATOM 489 CD1 PHE A 27 -15.481 5.525 -6.807 1.00 1.23 C ATOM 490 CD2 PHE A 27 -17.365 5.684 -8.325 1.00 1.14 C ATOM 491 CE1 PHE A 27 -14.633 5.254 -7.887 1.00 1.31 C ATOM 492 CE2 PHE A 27 -16.517 5.413 -9.405 1.00 1.14 C ATOM 493 CZ PHE A 27 -15.151 5.198 -9.187 1.00 0.66 C ATOM 0 H PHE A 27 -15.798 7.992 -6.521 1.00 0.54 H new ATOM 0 HA PHE A 27 -18.478 7.954 -5.180 1.00 0.59 H new ATOM 0 HB2 PHE A 27 -17.575 5.328 -5.052 1.00 0.54 H new ATOM 0 HB3 PHE A 27 -18.801 5.909 -6.161 1.00 0.54 H new ATOM 0 HD1 PHE A 27 -15.082 5.568 -5.805 1.00 1.23 H new ATOM 0 HD2 PHE A 27 -18.419 5.850 -8.494 1.00 1.14 H new ATOM 0 HE1 PHE A 27 -13.579 5.088 -7.718 1.00 1.31 H new ATOM 0 HE2 PHE A 27 -16.917 5.370 -10.407 1.00 1.14 H new ATOM 0 HZ PHE A 27 -14.497 4.989 -10.021 1.00 0.66 H new ATOM 503 N SER A 28 -15.892 8.425 -3.851 1.00 0.70 N ATOM 504 CA SER A 28 -15.076 8.442 -2.603 1.00 0.75 C ATOM 505 C SER A 28 -14.970 9.877 -2.087 1.00 0.85 C ATOM 506 O SER A 28 -14.525 10.767 -2.784 1.00 0.90 O ATOM 507 CB SER A 28 -13.677 7.901 -2.893 1.00 0.90 C ATOM 508 OG SER A 28 -13.573 6.576 -2.390 1.00 2.03 O ATOM 0 H SER A 28 -15.756 9.223 -4.471 1.00 0.70 H new ATOM 0 HA SER A 28 -15.554 7.816 -1.850 1.00 0.75 H new ATOM 0 HB2 SER A 28 -13.486 7.911 -3.966 1.00 0.90 H new ATOM 0 HB3 SER A 28 -12.924 8.539 -2.429 1.00 0.90 H new ATOM 0 HG SER A 28 -12.727 6.179 -2.686 1.00 2.03 H new ATOM 514 N ASP A 29 -15.378 10.110 -0.869 1.00 1.21 N ATOM 515 CA ASP A 29 -15.302 11.489 -0.310 1.00 1.49 C ATOM 516 C ASP A 29 -16.036 12.458 -1.241 1.00 1.26 C ATOM 517 O ASP A 29 -15.713 13.626 -1.315 1.00 1.40 O ATOM 518 CB ASP A 29 -13.836 11.910 -0.190 1.00 1.75 C ATOM 519 CG ASP A 29 -13.575 12.459 1.214 1.00 2.36 C ATOM 520 OD1 ASP A 29 -14.310 13.339 1.630 1.00 2.86 O ATOM 521 OD2 ASP A 29 -12.644 11.991 1.848 1.00 2.89 O ATOM 0 H ASP A 29 -15.760 9.406 -0.238 1.00 1.21 H new ATOM 0 HA ASP A 29 -15.768 11.508 0.675 1.00 1.49 H new ATOM 0 HB2 ASP A 29 -13.185 11.058 -0.385 1.00 1.75 H new ATOM 0 HB3 ASP A 29 -13.602 12.668 -0.938 1.00 1.75 H new ATOM 526 N VAL A 30 -17.023 11.982 -1.952 1.00 1.19 N ATOM 527 CA VAL A 30 -17.775 12.877 -2.875 1.00 1.28 C ATOM 528 C VAL A 30 -18.316 14.076 -2.095 1.00 1.59 C ATOM 529 O VAL A 30 -18.469 15.157 -2.628 1.00 1.83 O ATOM 530 CB VAL A 30 -18.938 12.104 -3.500 1.00 1.35 C ATOM 531 CG1 VAL A 30 -18.403 10.858 -4.208 1.00 1.60 C ATOM 532 CG2 VAL A 30 -19.917 11.681 -2.403 1.00 1.76 C ATOM 0 H VAL A 30 -17.340 11.013 -1.933 1.00 1.19 H new ATOM 0 HA VAL A 30 -17.109 13.229 -3.663 1.00 1.28 H new ATOM 0 HB VAL A 30 -19.449 12.741 -4.221 1.00 1.35 H new ATOM 0 HG11 VAL A 30 -19.232 10.308 -4.653 1.00 1.60 H new ATOM 0 HG12 VAL A 30 -17.704 11.156 -4.990 1.00 1.60 H new ATOM 0 HG13 VAL A 30 -17.891 10.221 -3.487 1.00 1.60 H new ATOM 0 HG21 VAL A 30 -20.746 11.130 -2.848 1.00 1.76 H new ATOM 0 HG22 VAL A 30 -19.403 11.044 -1.683 1.00 1.76 H new ATOM 0 HG23 VAL A 30 -20.300 12.567 -1.896 1.00 1.76 H new ATOM 542 N GLU A 31 -18.606 13.896 -0.835 1.00 1.74 N ATOM 543 CA GLU A 31 -19.135 15.028 -0.023 1.00 2.13 C ATOM 544 C GLU A 31 -18.158 16.203 -0.095 1.00 2.46 C ATOM 545 O GLU A 31 -17.000 16.083 0.252 1.00 2.65 O ATOM 546 CB GLU A 31 -19.294 14.582 1.432 1.00 2.31 C ATOM 547 CG GLU A 31 -20.717 14.064 1.656 1.00 2.51 C ATOM 548 CD GLU A 31 -21.031 14.064 3.153 1.00 2.87 C ATOM 549 OE1 GLU A 31 -20.518 14.928 3.846 1.00 3.27 O ATOM 550 OE2 GLU A 31 -21.778 13.201 3.582 1.00 3.19 O ATOM 0 H GLU A 31 -18.499 13.014 -0.333 1.00 1.74 H new ATOM 0 HA GLU A 31 -20.105 15.336 -0.414 1.00 2.13 H new ATOM 0 HB2 GLU A 31 -18.571 13.801 1.665 1.00 2.31 H new ATOM 0 HB3 GLU A 31 -19.090 15.416 2.103 1.00 2.31 H new ATOM 0 HG2 GLU A 31 -21.432 14.692 1.124 1.00 2.51 H new ATOM 0 HG3 GLU A 31 -20.816 13.056 1.253 1.00 2.51 H new ATOM 557 N GLU A 32 -18.616 17.339 -0.544 1.00 2.94 N ATOM 558 CA GLU A 32 -17.721 18.522 -0.642 1.00 3.50 C ATOM 559 C GLU A 32 -17.221 18.910 0.753 1.00 3.16 C ATOM 560 O GLU A 32 -17.240 18.114 1.671 1.00 3.54 O ATOM 561 CB GLU A 32 -18.502 19.685 -1.252 1.00 4.46 C ATOM 562 CG GLU A 32 -17.608 20.439 -2.237 1.00 5.07 C ATOM 563 CD GLU A 32 -17.593 21.926 -1.881 1.00 5.94 C ATOM 564 OE1 GLU A 32 -18.664 22.495 -1.749 1.00 6.47 O ATOM 565 OE2 GLU A 32 -16.510 22.472 -1.747 1.00 6.29 O ATOM 0 H GLU A 32 -19.577 17.498 -0.848 1.00 2.94 H new ATOM 0 HA GLU A 32 -16.863 18.284 -1.271 1.00 3.50 H new ATOM 0 HB2 GLU A 32 -19.390 19.312 -1.762 1.00 4.46 H new ATOM 0 HB3 GLU A 32 -18.845 20.359 -0.466 1.00 4.46 H new ATOM 0 HG2 GLU A 32 -16.595 20.037 -2.206 1.00 5.07 H new ATOM 0 HG3 GLU A 32 -17.974 20.302 -3.254 1.00 5.07 H new ATOM 572 N ASN A 33 -16.773 20.127 0.919 1.00 2.82 N ATOM 573 CA ASN A 33 -16.271 20.567 2.252 1.00 2.78 C ATOM 574 C ASN A 33 -14.991 19.800 2.592 1.00 2.63 C ATOM 575 O ASN A 33 -15.002 18.871 3.375 1.00 3.00 O ATOM 576 CB ASN A 33 -17.333 20.292 3.320 1.00 3.06 C ATOM 577 CG ASN A 33 -17.186 21.302 4.459 1.00 3.63 C ATOM 578 OD1 ASN A 33 -17.781 22.361 4.429 1.00 4.10 O ATOM 579 ND2 ASN A 33 -16.412 21.018 5.471 1.00 4.11 N ATOM 0 H ASN A 33 -16.734 20.836 0.187 1.00 2.82 H new ATOM 0 HA ASN A 33 -16.059 21.636 2.224 1.00 2.78 H new ATOM 0 HB2 ASN A 33 -18.329 20.363 2.884 1.00 3.06 H new ATOM 0 HB3 ASN A 33 -17.224 19.277 3.703 1.00 3.06 H new ATOM 0 HD21 ASN A 33 -16.307 21.685 6.236 1.00 4.11 H new ATOM 0 HD22 ASN A 33 -15.912 20.129 5.497 1.00 4.11 H new ATOM 586 N ARG A 34 -13.888 20.183 2.008 1.00 2.46 N ATOM 587 CA ARG A 34 -12.607 19.477 2.297 1.00 2.54 C ATOM 588 C ARG A 34 -11.708 20.379 3.145 1.00 2.43 C ATOM 589 O ARG A 34 -12.084 21.472 3.518 1.00 2.62 O ATOM 590 CB ARG A 34 -11.900 19.146 0.980 1.00 2.93 C ATOM 591 CG ARG A 34 -11.214 17.783 1.098 1.00 3.58 C ATOM 592 CD ARG A 34 -11.130 17.132 -0.284 1.00 4.20 C ATOM 593 NE ARG A 34 -9.727 17.199 -0.779 1.00 4.76 N ATOM 594 CZ ARG A 34 -9.418 18.002 -1.759 1.00 5.34 C ATOM 595 NH1 ARG A 34 -9.495 17.585 -2.993 1.00 5.65 N ATOM 596 NH2 ARG A 34 -9.033 19.223 -1.506 1.00 5.97 N ATOM 0 H ARG A 34 -13.819 20.954 1.344 1.00 2.46 H new ATOM 0 HA ARG A 34 -12.814 18.555 2.841 1.00 2.54 H new ATOM 0 HB2 ARG A 34 -12.620 19.133 0.162 1.00 2.93 H new ATOM 0 HB3 ARG A 34 -11.165 19.916 0.746 1.00 2.93 H new ATOM 0 HG2 ARG A 34 -10.215 17.902 1.517 1.00 3.58 H new ATOM 0 HG3 ARG A 34 -11.771 17.141 1.781 1.00 3.58 H new ATOM 0 HD2 ARG A 34 -11.459 16.094 -0.230 1.00 4.20 H new ATOM 0 HD3 ARG A 34 -11.797 17.642 -0.979 1.00 4.20 H new ATOM 0 HE ARG A 34 -9.007 16.616 -0.351 1.00 4.76 H new ATOM 0 HH11 ARG A 34 -9.797 16.631 -3.191 1.00 5.65 H new ATOM 0 HH12 ARG A 34 -9.253 18.213 -3.760 1.00 5.65 H new ATOM 0 HH21 ARG A 34 -8.974 19.550 -0.542 1.00 5.97 H new ATOM 0 HH22 ARG A 34 -8.791 19.851 -2.273 1.00 5.97 H new ATOM 610 N THR A 35 -10.521 19.930 3.452 1.00 2.60 N ATOM 611 CA THR A 35 -9.599 20.763 4.275 1.00 2.79 C ATOM 612 C THR A 35 -8.515 21.375 3.382 1.00 2.62 C ATOM 613 O THR A 35 -7.984 22.423 3.687 1.00 3.27 O ATOM 614 CB THR A 35 -8.943 19.891 5.349 1.00 3.47 C ATOM 615 OG1 THR A 35 -9.918 19.027 5.916 1.00 3.79 O ATOM 616 CG2 THR A 35 -8.351 20.782 6.442 1.00 4.48 C ATOM 0 H THR A 35 -10.150 19.023 3.169 1.00 2.60 H new ATOM 0 HA THR A 35 -10.167 21.563 4.751 1.00 2.79 H new ATOM 0 HB THR A 35 -8.148 19.297 4.899 1.00 3.47 H new ATOM 0 HG1 THR A 35 -9.499 18.467 6.603 1.00 3.79 H new ATOM 0 HG21 THR A 35 -7.884 20.160 7.206 1.00 4.48 H new ATOM 0 HG22 THR A 35 -7.603 21.444 6.006 1.00 4.48 H new ATOM 0 HG23 THR A 35 -9.143 21.378 6.894 1.00 4.48 H new ATOM 624 N GLU A 36 -8.189 20.719 2.287 1.00 2.34 N ATOM 625 CA GLU A 36 -7.143 21.220 1.333 1.00 2.77 C ATOM 626 C GLU A 36 -5.721 20.888 1.821 1.00 2.44 C ATOM 627 O GLU A 36 -4.845 20.624 1.021 1.00 2.86 O ATOM 628 CB GLU A 36 -7.273 22.731 1.116 1.00 3.60 C ATOM 629 CG GLU A 36 -8.740 23.103 0.877 1.00 4.49 C ATOM 630 CD GLU A 36 -9.183 24.133 1.917 1.00 5.39 C ATOM 631 OE1 GLU A 36 -8.466 25.102 2.105 1.00 5.69 O ATOM 632 OE2 GLU A 36 -10.231 23.935 2.509 1.00 6.03 O ATOM 0 H GLU A 36 -8.616 19.835 2.010 1.00 2.34 H new ATOM 0 HA GLU A 36 -7.309 20.709 0.385 1.00 2.77 H new ATOM 0 HB2 GLU A 36 -6.891 23.266 1.986 1.00 3.60 H new ATOM 0 HB3 GLU A 36 -6.668 23.037 0.263 1.00 3.60 H new ATOM 0 HG2 GLU A 36 -8.864 23.508 -0.127 1.00 4.49 H new ATOM 0 HG3 GLU A 36 -9.367 22.213 0.941 1.00 4.49 H new ATOM 639 N ALA A 37 -5.470 20.899 3.107 1.00 2.14 N ATOM 640 CA ALA A 37 -4.099 20.583 3.605 1.00 2.00 C ATOM 641 C ALA A 37 -3.136 21.693 3.178 1.00 1.87 C ATOM 642 O ALA A 37 -3.437 22.467 2.291 1.00 2.10 O ATOM 643 CB ALA A 37 -3.632 19.245 3.026 1.00 2.11 C ATOM 0 H ALA A 37 -6.156 21.113 3.831 1.00 2.14 H new ATOM 0 HA ALA A 37 -4.116 20.514 4.693 1.00 2.00 H new ATOM 0 HB1 ALA A 37 -2.631 19.019 3.393 1.00 2.11 H new ATOM 0 HB2 ALA A 37 -4.318 18.456 3.334 1.00 2.11 H new ATOM 0 HB3 ALA A 37 -3.615 19.306 1.938 1.00 2.11 H new ATOM 649 N PRO A 38 -2.005 21.735 3.829 1.00 1.91 N ATOM 650 CA PRO A 38 -0.961 22.730 3.560 1.00 2.13 C ATOM 651 C PRO A 38 -0.281 22.438 2.219 1.00 2.08 C ATOM 652 O PRO A 38 -0.149 23.306 1.379 1.00 2.67 O ATOM 653 CB PRO A 38 0.038 22.601 4.705 1.00 2.28 C ATOM 654 CG PRO A 38 -0.175 21.146 5.189 1.00 2.32 C ATOM 655 CD PRO A 38 -1.654 20.785 4.906 1.00 2.17 C ATOM 0 HA PRO A 38 -1.371 23.738 3.498 1.00 2.13 H new ATOM 0 HB2 PRO A 38 1.061 22.769 4.369 1.00 2.28 H new ATOM 0 HB3 PRO A 38 -0.160 23.323 5.497 1.00 2.28 H new ATOM 0 HG2 PRO A 38 0.495 20.464 4.666 1.00 2.32 H new ATOM 0 HG3 PRO A 38 0.047 21.057 6.253 1.00 2.32 H new ATOM 0 HD2 PRO A 38 -1.767 19.749 4.588 1.00 2.17 H new ATOM 0 HD3 PRO A 38 -2.282 20.918 5.787 1.00 2.17 H new ATOM 663 N GLU A 39 0.151 21.224 2.010 1.00 1.80 N ATOM 664 CA GLU A 39 0.821 20.886 0.722 1.00 2.35 C ATOM 665 C GLU A 39 1.165 19.395 0.697 1.00 1.97 C ATOM 666 O GLU A 39 1.051 18.739 -0.319 1.00 2.60 O ATOM 667 CB GLU A 39 2.106 21.705 0.585 1.00 3.09 C ATOM 668 CG GLU A 39 3.016 21.431 1.784 1.00 3.39 C ATOM 669 CD GLU A 39 3.921 22.641 2.026 1.00 4.33 C ATOM 670 OE1 GLU A 39 3.967 23.503 1.164 1.00 4.95 O ATOM 671 OE2 GLU A 39 4.552 22.684 3.069 1.00 4.73 O ATOM 0 H GLU A 39 0.069 20.454 2.673 1.00 1.80 H new ATOM 0 HA GLU A 39 0.150 21.118 -0.105 1.00 2.35 H new ATOM 0 HB2 GLU A 39 2.619 21.445 -0.341 1.00 3.09 H new ATOM 0 HB3 GLU A 39 1.869 22.767 0.530 1.00 3.09 H new ATOM 0 HG2 GLU A 39 2.415 21.230 2.671 1.00 3.39 H new ATOM 0 HG3 GLU A 39 3.620 20.543 1.600 1.00 3.39 H new ATOM 678 N GLY A 40 1.588 18.854 1.807 1.00 1.48 N ATOM 679 CA GLY A 40 1.941 17.407 1.843 1.00 1.43 C ATOM 680 C GLY A 40 3.430 17.244 1.535 1.00 1.24 C ATOM 681 O GLY A 40 3.854 17.349 0.401 1.00 1.46 O ATOM 0 H GLY A 40 1.704 19.352 2.690 1.00 1.48 H new ATOM 0 HA2 GLY A 40 1.713 16.989 2.823 1.00 1.43 H new ATOM 0 HA3 GLY A 40 1.345 16.857 1.115 1.00 1.43 H new ATOM 685 N THR A 41 4.228 16.990 2.535 1.00 1.03 N ATOM 686 CA THR A 41 5.690 16.824 2.296 1.00 0.94 C ATOM 687 C THR A 41 6.092 15.372 2.564 1.00 0.81 C ATOM 688 O THR A 41 7.011 14.853 1.964 1.00 0.78 O ATOM 689 CB THR A 41 6.469 17.748 3.236 1.00 0.95 C ATOM 690 OG1 THR A 41 7.131 16.968 4.222 1.00 1.27 O ATOM 691 CG2 THR A 41 5.506 18.722 3.916 1.00 0.94 C ATOM 0 H THR A 41 3.932 16.890 3.506 1.00 1.03 H new ATOM 0 HA THR A 41 5.918 17.079 1.261 1.00 0.94 H new ATOM 0 HB THR A 41 7.205 18.312 2.662 1.00 0.95 H new ATOM 0 HG1 THR A 41 7.632 17.558 4.824 1.00 1.27 H new ATOM 0 HG21 THR A 41 6.064 19.378 4.584 1.00 0.94 H new ATOM 0 HG22 THR A 41 4.999 19.321 3.159 1.00 0.94 H new ATOM 0 HG23 THR A 41 4.768 18.162 4.490 1.00 0.94 H new ATOM 699 N GLU A 42 5.411 14.714 3.461 1.00 0.78 N ATOM 700 CA GLU A 42 5.758 13.297 3.765 1.00 0.68 C ATOM 701 C GLU A 42 5.449 12.420 2.551 1.00 0.61 C ATOM 702 O GLU A 42 6.169 11.493 2.248 1.00 0.54 O ATOM 703 CB GLU A 42 4.935 12.815 4.962 1.00 0.72 C ATOM 704 CG GLU A 42 5.669 13.161 6.259 1.00 0.79 C ATOM 705 CD GLU A 42 5.029 14.398 6.895 1.00 1.41 C ATOM 706 OE1 GLU A 42 4.454 15.186 6.164 1.00 2.18 O ATOM 707 OE2 GLU A 42 5.126 14.535 8.103 1.00 1.87 O ATOM 0 H GLU A 42 4.631 15.095 3.996 1.00 0.78 H new ATOM 0 HA GLU A 42 6.820 13.229 4.001 1.00 0.68 H new ATOM 0 HB2 GLU A 42 3.951 13.284 4.953 1.00 0.72 H new ATOM 0 HB3 GLU A 42 4.776 11.739 4.898 1.00 0.72 H new ATOM 0 HG2 GLU A 42 5.624 12.319 6.950 1.00 0.79 H new ATOM 0 HG3 GLU A 42 6.723 13.349 6.054 1.00 0.79 H new ATOM 714 N SER A 43 4.383 12.704 1.854 1.00 0.66 N ATOM 715 CA SER A 43 4.033 11.880 0.660 1.00 0.63 C ATOM 716 C SER A 43 5.108 12.025 -0.427 1.00 0.61 C ATOM 717 O SER A 43 5.155 11.255 -1.364 1.00 0.61 O ATOM 718 CB SER A 43 2.683 12.335 0.105 1.00 0.75 C ATOM 719 OG SER A 43 2.633 13.756 0.096 1.00 0.93 O ATOM 0 H SER A 43 3.740 13.469 2.058 1.00 0.66 H new ATOM 0 HA SER A 43 3.976 10.834 0.960 1.00 0.63 H new ATOM 0 HB2 SER A 43 2.543 11.948 -0.904 1.00 0.75 H new ATOM 0 HB3 SER A 43 1.873 11.935 0.715 1.00 0.75 H new ATOM 0 HG SER A 43 1.769 14.051 -0.261 1.00 0.93 H new ATOM 725 N GLU A 44 5.974 12.997 -0.325 1.00 0.62 N ATOM 726 CA GLU A 44 7.024 13.153 -1.369 1.00 0.62 C ATOM 727 C GLU A 44 7.839 11.860 -1.471 1.00 0.56 C ATOM 728 O GLU A 44 7.652 11.063 -2.371 1.00 0.56 O ATOM 729 CB GLU A 44 7.951 14.313 -0.995 1.00 0.65 C ATOM 730 CG GLU A 44 7.202 15.637 -1.154 1.00 0.73 C ATOM 731 CD GLU A 44 7.577 16.279 -2.491 1.00 1.10 C ATOM 732 OE1 GLU A 44 7.784 15.543 -3.442 1.00 1.78 O ATOM 733 OE2 GLU A 44 7.651 17.496 -2.542 1.00 1.66 O ATOM 0 H GLU A 44 5.999 13.683 0.429 1.00 0.62 H new ATOM 0 HA GLU A 44 6.552 13.362 -2.329 1.00 0.62 H new ATOM 0 HB2 GLU A 44 8.296 14.200 0.033 1.00 0.65 H new ATOM 0 HB3 GLU A 44 8.836 14.305 -1.631 1.00 0.65 H new ATOM 0 HG2 GLU A 44 6.126 15.466 -1.110 1.00 0.73 H new ATOM 0 HG3 GLU A 44 7.452 16.309 -0.333 1.00 0.73 H new ATOM 740 N ALA A 85 8.744 11.648 -0.555 1.00 0.52 N ATOM 741 CA ALA A 85 9.577 10.412 -0.596 1.00 0.48 C ATOM 742 C ALA A 85 8.741 9.195 -0.193 1.00 0.43 C ATOM 743 O ALA A 85 8.991 8.092 -0.635 1.00 0.42 O ATOM 744 CB ALA A 85 10.751 10.563 0.373 1.00 0.49 C ATOM 0 H ALA A 85 8.943 12.279 0.222 1.00 0.52 H new ATOM 0 HA ALA A 85 9.947 10.267 -1.611 1.00 0.48 H new ATOM 0 HB1 ALA A 85 11.363 9.661 0.346 1.00 0.49 H new ATOM 0 HB2 ALA A 85 11.356 11.421 0.080 1.00 0.49 H new ATOM 0 HB3 ALA A 85 10.372 10.714 1.384 1.00 0.49 H new ATOM 750 N VAL A 86 7.755 9.376 0.642 1.00 0.42 N ATOM 751 CA VAL A 86 6.919 8.213 1.059 1.00 0.39 C ATOM 752 C VAL A 86 6.143 7.685 -0.147 1.00 0.38 C ATOM 753 O VAL A 86 6.381 6.589 -0.613 1.00 0.37 O ATOM 754 CB VAL A 86 5.932 8.645 2.143 1.00 0.40 C ATOM 755 CG1 VAL A 86 5.002 7.478 2.478 1.00 0.38 C ATOM 756 CG2 VAL A 86 6.698 9.058 3.399 1.00 0.41 C ATOM 0 H VAL A 86 7.492 10.272 1.052 1.00 0.42 H new ATOM 0 HA VAL A 86 7.567 7.430 1.452 1.00 0.39 H new ATOM 0 HB VAL A 86 5.345 9.489 1.782 1.00 0.40 H new ATOM 0 HG11 VAL A 86 4.297 7.785 3.251 1.00 0.38 H new ATOM 0 HG12 VAL A 86 4.453 7.182 1.584 1.00 0.38 H new ATOM 0 HG13 VAL A 86 5.591 6.635 2.838 1.00 0.38 H new ATOM 0 HG21 VAL A 86 5.992 9.366 4.171 1.00 0.41 H new ATOM 0 HG22 VAL A 86 7.286 8.214 3.760 1.00 0.41 H new ATOM 0 HG23 VAL A 86 7.363 9.889 3.163 1.00 0.41 H new ATOM 766 N LYS A 87 5.216 8.458 -0.650 1.00 0.40 N ATOM 767 CA LYS A 87 4.415 8.012 -1.826 1.00 0.40 C ATOM 768 C LYS A 87 5.348 7.532 -2.939 1.00 0.38 C ATOM 769 O LYS A 87 5.041 6.603 -3.656 1.00 0.37 O ATOM 770 CB LYS A 87 3.570 9.179 -2.338 1.00 0.43 C ATOM 771 CG LYS A 87 2.218 8.655 -2.826 1.00 1.03 C ATOM 772 CD LYS A 87 1.144 8.957 -1.777 1.00 0.60 C ATOM 773 CE LYS A 87 0.459 7.657 -1.352 1.00 0.83 C ATOM 774 NZ LYS A 87 0.104 6.859 -2.561 1.00 1.33 N ATOM 0 H LYS A 87 4.979 9.384 -0.294 1.00 0.40 H new ATOM 0 HA LYS A 87 3.763 7.191 -1.526 1.00 0.40 H new ATOM 0 HB2 LYS A 87 3.423 9.911 -1.544 1.00 0.43 H new ATOM 0 HB3 LYS A 87 4.089 9.689 -3.150 1.00 0.43 H new ATOM 0 HG2 LYS A 87 1.956 9.123 -3.775 1.00 1.03 H new ATOM 0 HG3 LYS A 87 2.275 7.581 -3.005 1.00 1.03 H new ATOM 0 HD2 LYS A 87 1.594 9.442 -0.911 1.00 0.60 H new ATOM 0 HD3 LYS A 87 0.409 9.651 -2.185 1.00 0.60 H new ATOM 0 HE2 LYS A 87 1.120 7.081 -0.705 1.00 0.83 H new ATOM 0 HE3 LYS A 87 -0.438 7.879 -0.774 1.00 0.83 H new ATOM 0 HZ1 LYS A 87 -0.726 6.267 -2.355 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 -0.116 7.501 -3.349 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 0.906 6.251 -2.824 1.00 1.33 H new ATOM 788 N GLN A 88 6.486 8.154 -3.091 1.00 0.40 N ATOM 789 CA GLN A 88 7.430 7.720 -4.160 1.00 0.39 C ATOM 790 C GLN A 88 7.761 6.236 -3.975 1.00 0.38 C ATOM 791 O GLN A 88 7.585 5.427 -4.869 1.00 0.38 O ATOM 792 CB GLN A 88 8.720 8.540 -4.062 1.00 0.41 C ATOM 793 CG GLN A 88 9.681 8.113 -5.173 1.00 0.43 C ATOM 794 CD GLN A 88 10.292 9.354 -5.825 1.00 0.66 C ATOM 795 OE1 GLN A 88 11.391 9.751 -5.491 1.00 1.38 O ATOM 796 NE2 GLN A 88 9.622 9.989 -6.748 1.00 1.24 N ATOM 0 H GLN A 88 6.802 8.941 -2.524 1.00 0.40 H new ATOM 0 HA GLN A 88 6.970 7.874 -5.136 1.00 0.39 H new ATOM 0 HB2 GLN A 88 8.495 9.603 -4.149 1.00 0.41 H new ATOM 0 HB3 GLN A 88 9.185 8.391 -3.087 1.00 0.41 H new ATOM 0 HG2 GLN A 88 10.468 7.480 -4.764 1.00 0.43 H new ATOM 0 HG3 GLN A 88 9.151 7.521 -5.919 1.00 0.43 H new ATOM 0 HE21 GLN A 88 8.700 9.656 -7.029 1.00 1.24 H new ATOM 0 HE22 GLN A 88 10.021 10.818 -7.189 1.00 1.24 H new ATOM 805 N ALA A 89 8.240 5.876 -2.816 1.00 0.37 N ATOM 806 CA ALA A 89 8.590 4.452 -2.554 1.00 0.37 C ATOM 807 C ALA A 89 7.328 3.582 -2.581 1.00 0.35 C ATOM 808 O ALA A 89 7.402 2.382 -2.742 1.00 0.35 O ATOM 809 CB ALA A 89 9.253 4.341 -1.180 1.00 0.37 C ATOM 0 H ALA A 89 8.405 6.511 -2.035 1.00 0.37 H new ATOM 0 HA ALA A 89 9.275 4.105 -3.327 1.00 0.37 H new ATOM 0 HB1 ALA A 89 9.511 3.300 -0.984 1.00 0.37 H new ATOM 0 HB2 ALA A 89 10.158 4.949 -1.162 1.00 0.37 H new ATOM 0 HB3 ALA A 89 8.563 4.695 -0.414 1.00 0.37 H new ATOM 815 N LEU A 90 6.169 4.168 -2.425 1.00 0.36 N ATOM 816 CA LEU A 90 4.920 3.355 -2.444 1.00 0.36 C ATOM 817 C LEU A 90 4.507 3.073 -3.893 1.00 0.36 C ATOM 818 O LEU A 90 3.801 2.123 -4.170 1.00 0.37 O ATOM 819 CB LEU A 90 3.798 4.120 -1.734 1.00 0.37 C ATOM 820 CG LEU A 90 3.592 3.550 -0.327 1.00 0.39 C ATOM 821 CD1 LEU A 90 4.139 4.531 0.710 1.00 0.59 C ATOM 822 CD2 LEU A 90 2.097 3.336 -0.080 1.00 0.50 C ATOM 0 H LEU A 90 6.035 5.170 -2.286 1.00 0.36 H new ATOM 0 HA LEU A 90 5.099 2.411 -1.929 1.00 0.36 H new ATOM 0 HB2 LEU A 90 4.049 5.179 -1.674 1.00 0.37 H new ATOM 0 HB3 LEU A 90 2.874 4.043 -2.307 1.00 0.37 H new ATOM 0 HG LEU A 90 4.119 2.600 -0.241 1.00 0.39 H new ATOM 0 HD11 LEU A 90 3.991 4.123 1.710 1.00 0.59 H new ATOM 0 HD12 LEU A 90 5.203 4.688 0.536 1.00 0.59 H new ATOM 0 HD13 LEU A 90 3.613 5.482 0.624 1.00 0.59 H new ATOM 0 HD21 LEU A 90 1.948 2.930 0.921 1.00 0.50 H new ATOM 0 HD22 LEU A 90 1.574 4.288 -0.167 1.00 0.50 H new ATOM 0 HD23 LEU A 90 1.703 2.637 -0.817 1.00 0.50 H new ATOM 834 N ARG A 91 4.938 3.885 -4.822 1.00 0.37 N ATOM 835 CA ARG A 91 4.565 3.653 -6.244 1.00 0.39 C ATOM 836 C ARG A 91 5.491 2.595 -6.842 1.00 0.37 C ATOM 837 O ARG A 91 5.053 1.676 -7.505 1.00 0.37 O ATOM 838 CB ARG A 91 4.705 4.957 -7.031 1.00 0.42 C ATOM 839 CG ARG A 91 3.467 5.159 -7.908 1.00 0.89 C ATOM 840 CD ARG A 91 2.528 6.166 -7.240 1.00 1.19 C ATOM 841 NE ARG A 91 3.188 7.501 -7.190 1.00 1.27 N ATOM 842 CZ ARG A 91 2.841 8.432 -8.035 1.00 1.76 C ATOM 843 NH1 ARG A 91 1.719 9.079 -7.869 1.00 2.39 N ATOM 844 NH2 ARG A 91 3.615 8.717 -9.046 1.00 2.34 N ATOM 0 H ARG A 91 5.532 4.698 -4.656 1.00 0.37 H new ATOM 0 HA ARG A 91 3.532 3.309 -6.298 1.00 0.39 H new ATOM 0 HB2 ARG A 91 4.820 5.797 -6.346 1.00 0.42 H new ATOM 0 HB3 ARG A 91 5.601 4.926 -7.650 1.00 0.42 H new ATOM 0 HG2 ARG A 91 3.761 5.519 -8.894 1.00 0.89 H new ATOM 0 HG3 ARG A 91 2.953 4.209 -8.055 1.00 0.89 H new ATOM 0 HD2 ARG A 91 1.592 6.231 -7.795 1.00 1.19 H new ATOM 0 HD3 ARG A 91 2.278 5.834 -6.232 1.00 1.19 H new ATOM 0 HE ARG A 91 3.911 7.687 -6.495 1.00 1.27 H new ATOM 0 HH11 ARG A 91 1.114 8.856 -7.079 1.00 2.39 H new ATOM 0 HH12 ARG A 91 1.448 9.807 -8.530 1.00 2.39 H new ATOM 0 HH21 ARG A 91 4.492 8.212 -9.176 1.00 2.34 H new ATOM 0 HH22 ARG A 91 3.344 9.445 -9.707 1.00 2.34 H new ATOM 858 N GLU A 92 6.771 2.714 -6.613 1.00 0.38 N ATOM 859 CA GLU A 92 7.718 1.707 -7.172 1.00 0.37 C ATOM 860 C GLU A 92 7.594 0.402 -6.381 1.00 0.35 C ATOM 861 O GLU A 92 7.770 -0.678 -6.911 1.00 0.35 O ATOM 862 CB GLU A 92 9.150 2.236 -7.062 1.00 0.39 C ATOM 863 CG GLU A 92 9.281 3.530 -7.869 1.00 1.00 C ATOM 864 CD GLU A 92 10.311 3.336 -8.982 1.00 1.70 C ATOM 865 OE1 GLU A 92 10.358 2.250 -9.536 1.00 2.10 O ATOM 866 OE2 GLU A 92 11.036 4.276 -9.262 1.00 2.45 O ATOM 0 H GLU A 92 7.200 3.461 -6.066 1.00 0.38 H new ATOM 0 HA GLU A 92 7.479 1.524 -8.220 1.00 0.37 H new ATOM 0 HB2 GLU A 92 9.402 2.420 -6.017 1.00 0.39 H new ATOM 0 HB3 GLU A 92 9.854 1.491 -7.433 1.00 0.39 H new ATOM 0 HG2 GLU A 92 8.316 3.804 -8.296 1.00 1.00 H new ATOM 0 HG3 GLU A 92 9.585 4.349 -7.217 1.00 1.00 H new ATOM 873 N ALA A 93 7.291 0.497 -5.116 1.00 0.36 N ATOM 874 CA ALA A 93 7.154 -0.732 -4.282 1.00 0.36 C ATOM 875 C ALA A 93 5.794 -1.386 -4.540 1.00 0.37 C ATOM 876 O ALA A 93 5.632 -2.579 -4.381 1.00 0.37 O ATOM 877 CB ALA A 93 7.261 -0.356 -2.803 1.00 0.40 C ATOM 0 H ALA A 93 7.132 1.375 -4.622 1.00 0.36 H new ATOM 0 HA ALA A 93 7.947 -1.433 -4.543 1.00 0.36 H new ATOM 0 HB1 ALA A 93 7.161 -1.253 -2.191 1.00 0.40 H new ATOM 0 HB2 ALA A 93 8.230 0.106 -2.614 1.00 0.40 H new ATOM 0 HB3 ALA A 93 6.468 0.347 -2.548 1.00 0.40 H new ATOM 883 N GLY A 94 4.814 -0.619 -4.934 1.00 0.40 N ATOM 884 CA GLY A 94 3.470 -1.206 -5.197 1.00 0.43 C ATOM 885 C GLY A 94 3.461 -1.877 -6.572 1.00 0.41 C ATOM 886 O GLY A 94 2.802 -2.876 -6.781 1.00 0.43 O ATOM 0 H GLY A 94 4.886 0.387 -5.085 1.00 0.40 H new ATOM 0 HA2 GLY A 94 3.223 -1.934 -4.425 1.00 0.43 H new ATOM 0 HA3 GLY A 94 2.708 -0.428 -5.156 1.00 0.43 H new ATOM 890 N ASP A 95 4.186 -1.336 -7.512 1.00 0.39 N ATOM 891 CA ASP A 95 4.216 -1.944 -8.872 1.00 0.39 C ATOM 892 C ASP A 95 5.151 -3.156 -8.869 1.00 0.37 C ATOM 893 O ASP A 95 4.965 -4.094 -9.618 1.00 0.37 O ATOM 894 CB ASP A 95 4.721 -0.913 -9.883 1.00 0.41 C ATOM 895 CG ASP A 95 3.975 -1.088 -11.207 1.00 1.05 C ATOM 896 OD1 ASP A 95 2.781 -1.336 -11.163 1.00 1.61 O ATOM 897 OD2 ASP A 95 4.611 -0.973 -12.242 1.00 1.89 O ATOM 0 H ASP A 95 4.759 -0.500 -7.397 1.00 0.39 H new ATOM 0 HA ASP A 95 3.211 -2.261 -9.149 1.00 0.39 H new ATOM 0 HB2 ASP A 95 4.568 0.095 -9.498 1.00 0.41 H new ATOM 0 HB3 ASP A 95 5.793 -1.035 -10.038 1.00 0.41 H new ATOM 902 N GLU A 96 6.154 -3.146 -8.034 1.00 0.37 N ATOM 903 CA GLU A 96 7.094 -4.301 -7.989 1.00 0.36 C ATOM 904 C GLU A 96 6.472 -5.431 -7.164 1.00 0.33 C ATOM 905 O GLU A 96 6.686 -6.596 -7.431 1.00 0.32 O ATOM 906 CB GLU A 96 8.412 -3.860 -7.347 1.00 0.39 C ATOM 907 CG GLU A 96 9.585 -4.464 -8.121 1.00 0.82 C ATOM 908 CD GLU A 96 10.742 -3.463 -8.158 1.00 1.34 C ATOM 909 OE1 GLU A 96 11.277 -3.167 -7.103 1.00 2.02 O ATOM 910 OE2 GLU A 96 11.072 -3.010 -9.241 1.00 1.97 O ATOM 0 H GLU A 96 6.363 -2.389 -7.382 1.00 0.37 H new ATOM 0 HA GLU A 96 7.286 -4.656 -9.001 1.00 0.36 H new ATOM 0 HB2 GLU A 96 8.483 -2.772 -7.349 1.00 0.39 H new ATOM 0 HB3 GLU A 96 8.446 -4.180 -6.306 1.00 0.39 H new ATOM 0 HG2 GLU A 96 9.908 -5.391 -7.648 1.00 0.82 H new ATOM 0 HG3 GLU A 96 9.275 -4.715 -9.135 1.00 0.82 H new ATOM 917 N PHE A 97 5.700 -5.096 -6.165 1.00 0.35 N ATOM 918 CA PHE A 97 5.063 -6.154 -5.329 1.00 0.33 C ATOM 919 C PHE A 97 3.956 -6.824 -6.140 1.00 0.32 C ATOM 920 O PHE A 97 3.757 -8.021 -6.075 1.00 0.33 O ATOM 921 CB PHE A 97 4.458 -5.524 -4.072 1.00 0.35 C ATOM 922 CG PHE A 97 3.133 -6.184 -3.766 1.00 0.33 C ATOM 923 CD1 PHE A 97 3.091 -7.345 -2.983 1.00 1.19 C ATOM 924 CD2 PHE A 97 1.944 -5.636 -4.266 1.00 1.28 C ATOM 925 CE1 PHE A 97 1.863 -7.956 -2.701 1.00 1.18 C ATOM 926 CE2 PHE A 97 0.717 -6.249 -3.983 1.00 1.31 C ATOM 927 CZ PHE A 97 0.677 -7.409 -3.200 1.00 0.40 C ATOM 0 H PHE A 97 5.483 -4.137 -5.892 1.00 0.35 H new ATOM 0 HA PHE A 97 5.811 -6.891 -5.037 1.00 0.33 H new ATOM 0 HB2 PHE A 97 5.139 -5.642 -3.229 1.00 0.35 H new ATOM 0 HB3 PHE A 97 4.318 -4.453 -4.220 1.00 0.35 H new ATOM 0 HD1 PHE A 97 4.006 -7.769 -2.597 1.00 1.19 H new ATOM 0 HD2 PHE A 97 1.974 -4.741 -4.870 1.00 1.28 H new ATOM 0 HE1 PHE A 97 1.832 -8.851 -2.097 1.00 1.18 H new ATOM 0 HE2 PHE A 97 -0.199 -5.827 -4.369 1.00 1.31 H new ATOM 0 HZ PHE A 97 -0.270 -7.881 -2.982 1.00 0.40 H new ATOM 937 N GLU A 98 3.235 -6.054 -6.907 1.00 0.34 N ATOM 938 CA GLU A 98 2.138 -6.629 -7.731 1.00 0.34 C ATOM 939 C GLU A 98 2.735 -7.505 -8.830 1.00 0.34 C ATOM 940 O GLU A 98 2.296 -8.613 -9.065 1.00 0.33 O ATOM 941 CB GLU A 98 1.350 -5.491 -8.375 1.00 0.37 C ATOM 942 CG GLU A 98 0.001 -5.337 -7.672 1.00 0.40 C ATOM 943 CD GLU A 98 -1.062 -4.926 -8.692 1.00 0.48 C ATOM 944 OE1 GLU A 98 -1.000 -5.409 -9.810 1.00 1.24 O ATOM 945 OE2 GLU A 98 -1.921 -4.136 -8.337 1.00 1.02 O ATOM 0 H GLU A 98 3.360 -5.046 -6.998 1.00 0.34 H new ATOM 0 HA GLU A 98 1.481 -7.228 -7.100 1.00 0.34 H new ATOM 0 HB2 GLU A 98 1.915 -4.561 -8.308 1.00 0.37 H new ATOM 0 HB3 GLU A 98 1.198 -5.695 -9.435 1.00 0.37 H new ATOM 0 HG2 GLU A 98 -0.281 -6.275 -7.195 1.00 0.40 H new ATOM 0 HG3 GLU A 98 0.073 -4.587 -6.884 1.00 0.40 H new ATOM 952 N LEU A 99 3.736 -7.013 -9.505 1.00 0.38 N ATOM 953 CA LEU A 99 4.366 -7.811 -10.590 1.00 0.40 C ATOM 954 C LEU A 99 4.900 -9.116 -10.009 1.00 0.39 C ATOM 955 O LEU A 99 4.886 -10.140 -10.654 1.00 0.44 O ATOM 956 CB LEU A 99 5.529 -7.016 -11.202 1.00 0.42 C ATOM 957 CG LEU A 99 6.537 -7.973 -11.856 1.00 0.45 C ATOM 958 CD1 LEU A 99 7.170 -7.301 -13.072 1.00 0.50 C ATOM 959 CD2 LEU A 99 7.640 -8.325 -10.852 1.00 0.42 C ATOM 0 H LEU A 99 4.145 -6.091 -9.351 1.00 0.38 H new ATOM 0 HA LEU A 99 3.626 -8.026 -11.361 1.00 0.40 H new ATOM 0 HB2 LEU A 99 5.149 -6.314 -11.944 1.00 0.42 H new ATOM 0 HB3 LEU A 99 6.023 -6.427 -10.429 1.00 0.42 H new ATOM 0 HG LEU A 99 6.017 -8.880 -12.165 1.00 0.45 H new ATOM 0 HD11 LEU A 99 7.885 -7.983 -13.534 1.00 0.50 H new ATOM 0 HD12 LEU A 99 6.393 -7.047 -13.793 1.00 0.50 H new ATOM 0 HD13 LEU A 99 7.685 -6.393 -12.759 1.00 0.50 H new ATOM 0 HD21 LEU A 99 8.354 -9.004 -11.319 1.00 0.42 H new ATOM 0 HD22 LEU A 99 8.154 -7.415 -10.542 1.00 0.42 H new ATOM 0 HD23 LEU A 99 7.198 -8.807 -9.980 1.00 0.42 H new ATOM 971 N ARG A 100 5.382 -9.088 -8.802 1.00 0.35 N ATOM 972 CA ARG A 100 5.927 -10.337 -8.198 1.00 0.36 C ATOM 973 C ARG A 100 4.794 -11.214 -7.654 1.00 0.39 C ATOM 974 O ARG A 100 4.961 -12.403 -7.470 1.00 0.55 O ATOM 975 CB ARG A 100 6.882 -9.978 -7.057 1.00 0.38 C ATOM 976 CG ARG A 100 8.328 -10.140 -7.530 1.00 0.46 C ATOM 977 CD ARG A 100 8.953 -11.361 -6.852 1.00 0.87 C ATOM 978 NE ARG A 100 10.430 -11.338 -7.050 1.00 1.21 N ATOM 979 CZ ARG A 100 10.929 -11.449 -8.251 1.00 0.94 C ATOM 980 NH1 ARG A 100 10.481 -12.368 -9.062 1.00 1.35 N ATOM 981 NH2 ARG A 100 11.876 -10.640 -8.640 1.00 1.53 N ATOM 0 H ARG A 100 5.424 -8.260 -8.207 1.00 0.35 H new ATOM 0 HA ARG A 100 6.461 -10.892 -8.969 1.00 0.36 H new ATOM 0 HB2 ARG A 100 6.708 -8.952 -6.732 1.00 0.38 H new ATOM 0 HB3 ARG A 100 6.696 -10.621 -6.197 1.00 0.38 H new ATOM 0 HG2 ARG A 100 8.356 -10.258 -8.613 1.00 0.46 H new ATOM 0 HG3 ARG A 100 8.902 -9.245 -7.292 1.00 0.46 H new ATOM 0 HD2 ARG A 100 8.718 -11.359 -5.788 1.00 0.87 H new ATOM 0 HD3 ARG A 100 8.534 -12.276 -7.269 1.00 0.87 H new ATOM 0 HE ARG A 100 11.051 -11.236 -6.247 1.00 1.21 H new ATOM 0 HH11 ARG A 100 9.741 -13.000 -8.757 1.00 1.35 H new ATOM 0 HH12 ARG A 100 10.871 -12.454 -10.000 1.00 1.35 H new ATOM 0 HH21 ARG A 100 12.226 -9.922 -8.006 1.00 1.53 H new ATOM 0 HH22 ARG A 100 12.267 -10.726 -9.578 1.00 1.53 H new ATOM 995 N TYR A 101 3.647 -10.650 -7.389 1.00 0.31 N ATOM 996 CA TYR A 101 2.529 -11.477 -6.854 1.00 0.34 C ATOM 997 C TYR A 101 1.961 -12.362 -7.967 1.00 0.37 C ATOM 998 O TYR A 101 1.745 -13.541 -7.779 1.00 0.47 O ATOM 999 CB TYR A 101 1.425 -10.575 -6.305 1.00 0.38 C ATOM 1000 CG TYR A 101 0.427 -11.428 -5.563 1.00 0.30 C ATOM 1001 CD1 TYR A 101 0.722 -11.892 -4.275 1.00 1.26 C ATOM 1002 CD2 TYR A 101 -0.789 -11.765 -6.167 1.00 1.23 C ATOM 1003 CE1 TYR A 101 -0.201 -12.691 -3.591 1.00 1.25 C ATOM 1004 CE2 TYR A 101 -1.711 -12.566 -5.483 1.00 1.27 C ATOM 1005 CZ TYR A 101 -1.418 -13.028 -4.195 1.00 0.41 C ATOM 1006 OH TYR A 101 -2.326 -13.818 -3.521 1.00 0.53 O ATOM 0 H TYR A 101 3.437 -9.660 -7.519 1.00 0.31 H new ATOM 0 HA TYR A 101 2.909 -12.106 -6.049 1.00 0.34 H new ATOM 0 HB2 TYR A 101 1.848 -9.823 -5.639 1.00 0.38 H new ATOM 0 HB3 TYR A 101 0.934 -10.041 -7.119 1.00 0.38 H new ATOM 0 HD1 TYR A 101 1.662 -11.633 -3.810 1.00 1.26 H new ATOM 0 HD2 TYR A 101 -1.016 -11.407 -7.160 1.00 1.23 H new ATOM 0 HE1 TYR A 101 0.026 -13.048 -2.597 1.00 1.25 H new ATOM 0 HE2 TYR A 101 -2.649 -12.828 -5.950 1.00 1.27 H new ATOM 0 HH TYR A 101 -2.615 -14.553 -4.102 1.00 0.53 H new ATOM 1016 N ARG A 102 1.721 -11.807 -9.123 1.00 0.39 N ATOM 1017 CA ARG A 102 1.172 -12.628 -10.241 1.00 0.42 C ATOM 1018 C ARG A 102 2.311 -13.441 -10.856 1.00 0.43 C ATOM 1019 O ARG A 102 2.135 -14.564 -11.285 1.00 0.53 O ATOM 1020 CB ARG A 102 0.569 -11.709 -11.306 1.00 0.44 C ATOM 1021 CG ARG A 102 -0.732 -11.099 -10.782 1.00 0.54 C ATOM 1022 CD ARG A 102 -1.288 -10.118 -11.816 1.00 0.70 C ATOM 1023 NE ARG A 102 -0.209 -9.183 -12.245 1.00 1.13 N ATOM 1024 CZ ARG A 102 -0.161 -8.763 -13.480 1.00 1.35 C ATOM 1025 NH1 ARG A 102 0.498 -9.446 -14.376 1.00 1.95 N ATOM 1026 NH2 ARG A 102 -0.771 -7.660 -13.819 1.00 1.93 N ATOM 0 H ARG A 102 1.880 -10.824 -9.342 1.00 0.39 H new ATOM 0 HA ARG A 102 0.397 -13.295 -9.865 1.00 0.42 H new ATOM 0 HB2 ARG A 102 1.276 -10.919 -11.561 1.00 0.44 H new ATOM 0 HB3 ARG A 102 0.376 -12.272 -12.219 1.00 0.44 H new ATOM 0 HG2 ARG A 102 -1.460 -11.885 -10.582 1.00 0.54 H new ATOM 0 HG3 ARG A 102 -0.551 -10.585 -9.838 1.00 0.54 H new ATOM 0 HD2 ARG A 102 -1.676 -10.662 -12.677 1.00 0.70 H new ATOM 0 HD3 ARG A 102 -2.121 -9.558 -11.391 1.00 0.70 H new ATOM 0 HE ARG A 102 0.492 -8.871 -11.573 1.00 1.13 H new ATOM 0 HH11 ARG A 102 0.975 -10.308 -14.111 1.00 1.95 H new ATOM 0 HH12 ARG A 102 0.536 -9.118 -15.341 1.00 1.95 H new ATOM 0 HH21 ARG A 102 -1.285 -7.126 -13.119 1.00 1.93 H new ATOM 0 HH22 ARG A 102 -0.733 -7.332 -14.784 1.00 1.93 H new ATOM 1040 N ARG A 103 3.481 -12.870 -10.894 1.00 0.37 N ATOM 1041 CA ARG A 103 4.657 -13.577 -11.470 1.00 0.40 C ATOM 1042 C ARG A 103 5.101 -14.720 -10.545 1.00 0.43 C ATOM 1043 O ARG A 103 5.888 -15.563 -10.928 1.00 0.82 O ATOM 1044 CB ARG A 103 5.790 -12.570 -11.620 1.00 0.41 C ATOM 1045 CG ARG A 103 6.901 -13.161 -12.474 1.00 0.44 C ATOM 1046 CD ARG A 103 7.826 -12.027 -12.907 1.00 0.49 C ATOM 1047 NE ARG A 103 8.407 -12.337 -14.244 1.00 0.54 N ATOM 1048 CZ ARG A 103 9.699 -12.297 -14.419 1.00 0.98 C ATOM 1049 NH1 ARG A 103 10.302 -11.149 -14.571 1.00 1.62 N ATOM 1050 NH2 ARG A 103 10.390 -13.404 -14.441 1.00 1.86 N ATOM 0 H ARG A 103 3.675 -11.931 -10.546 1.00 0.37 H new ATOM 0 HA ARG A 103 4.393 -14.003 -12.438 1.00 0.40 H new ATOM 0 HB2 ARG A 103 5.416 -11.655 -12.078 1.00 0.41 H new ATOM 0 HB3 ARG A 103 6.179 -12.299 -10.639 1.00 0.41 H new ATOM 0 HG2 ARG A 103 7.457 -13.910 -11.909 1.00 0.44 H new ATOM 0 HG3 ARG A 103 6.483 -13.664 -13.346 1.00 0.44 H new ATOM 0 HD2 ARG A 103 7.273 -11.089 -12.949 1.00 0.49 H new ATOM 0 HD3 ARG A 103 8.623 -11.895 -12.175 1.00 0.49 H new ATOM 0 HE ARG A 103 7.794 -12.580 -15.022 1.00 0.54 H new ATOM 0 HH11 ARG A 103 9.763 -10.283 -14.553 1.00 1.62 H new ATOM 0 HH12 ARG A 103 11.312 -11.118 -14.708 1.00 1.62 H new ATOM 0 HH21 ARG A 103 9.920 -14.301 -14.321 1.00 1.86 H new ATOM 0 HH22 ARG A 103 11.400 -13.372 -14.578 1.00 1.86 H new ATOM 1064 N ALA A 104 4.612 -14.761 -9.330 1.00 0.48 N ATOM 1065 CA ALA A 104 5.021 -15.854 -8.401 1.00 0.43 C ATOM 1066 C ALA A 104 3.821 -16.752 -8.066 1.00 0.50 C ATOM 1067 O ALA A 104 3.985 -17.854 -7.581 1.00 0.66 O ATOM 1068 CB ALA A 104 5.570 -15.240 -7.110 1.00 0.50 C ATOM 0 H ALA A 104 3.950 -14.087 -8.945 1.00 0.48 H new ATOM 0 HA ALA A 104 5.789 -16.459 -8.884 1.00 0.43 H new ATOM 0 HB1 ALA A 104 5.870 -16.035 -6.428 1.00 0.50 H new ATOM 0 HB2 ALA A 104 6.433 -14.616 -7.342 1.00 0.50 H new ATOM 0 HB3 ALA A 104 4.798 -14.631 -6.640 1.00 0.50 H new ATOM 1074 N PHE A 105 2.617 -16.302 -8.315 1.00 0.47 N ATOM 1075 CA PHE A 105 1.431 -17.151 -7.999 1.00 0.56 C ATOM 1076 C PHE A 105 0.271 -16.798 -8.937 1.00 0.55 C ATOM 1077 O PHE A 105 -0.058 -17.544 -9.837 1.00 0.57 O ATOM 1078 CB PHE A 105 1.001 -16.915 -6.549 1.00 0.69 C ATOM 1079 CG PHE A 105 2.124 -17.293 -5.613 1.00 0.48 C ATOM 1080 CD1 PHE A 105 2.461 -18.639 -5.427 1.00 1.43 C ATOM 1081 CD2 PHE A 105 2.823 -16.294 -4.924 1.00 1.24 C ATOM 1082 CE1 PHE A 105 3.499 -18.986 -4.553 1.00 1.69 C ATOM 1083 CE2 PHE A 105 3.859 -16.641 -4.050 1.00 1.50 C ATOM 1084 CZ PHE A 105 4.198 -17.987 -3.864 1.00 1.33 C ATOM 0 H PHE A 105 2.406 -15.390 -8.720 1.00 0.47 H new ATOM 0 HA PHE A 105 1.698 -18.199 -8.135 1.00 0.56 H new ATOM 0 HB2 PHE A 105 0.733 -15.868 -6.406 1.00 0.69 H new ATOM 0 HB3 PHE A 105 0.113 -17.505 -6.323 1.00 0.69 H new ATOM 0 HD1 PHE A 105 1.921 -19.409 -5.957 1.00 1.43 H new ATOM 0 HD2 PHE A 105 2.562 -15.256 -5.067 1.00 1.24 H new ATOM 0 HE1 PHE A 105 3.760 -20.024 -4.410 1.00 1.69 H new ATOM 0 HE2 PHE A 105 4.398 -15.870 -3.518 1.00 1.50 H new ATOM 0 HZ PHE A 105 4.998 -18.254 -3.190 1.00 1.33 H new ATOM 1094 N SER A 106 -0.355 -15.667 -8.734 1.00 0.55 N ATOM 1095 CA SER A 106 -1.493 -15.278 -9.615 1.00 0.58 C ATOM 1096 C SER A 106 -2.018 -13.900 -9.201 1.00 0.50 C ATOM 1097 O SER A 106 -1.357 -13.158 -8.503 1.00 0.49 O ATOM 1098 CB SER A 106 -2.613 -16.310 -9.482 1.00 0.63 C ATOM 1099 OG SER A 106 -3.021 -16.730 -10.777 1.00 1.10 O ATOM 0 H SER A 106 -0.127 -14.999 -7.998 1.00 0.55 H new ATOM 0 HA SER A 106 -1.153 -15.238 -10.650 1.00 0.58 H new ATOM 0 HB2 SER A 106 -2.268 -17.166 -8.902 1.00 0.63 H new ATOM 0 HB3 SER A 106 -3.458 -15.880 -8.944 1.00 0.63 H new ATOM 0 HG SER A 106 -3.738 -17.393 -10.695 1.00 1.10 H new ATOM 1105 N ASP A 107 -3.202 -13.552 -9.628 1.00 0.54 N ATOM 1106 CA ASP A 107 -3.770 -12.221 -9.262 1.00 0.50 C ATOM 1107 C ASP A 107 -4.336 -12.270 -7.840 1.00 0.43 C ATOM 1108 O ASP A 107 -4.435 -13.320 -7.236 1.00 0.44 O ATOM 1109 CB ASP A 107 -4.887 -11.857 -10.242 1.00 0.56 C ATOM 1110 CG ASP A 107 -4.278 -11.254 -11.509 1.00 0.94 C ATOM 1111 OD1 ASP A 107 -3.605 -11.980 -12.222 1.00 1.59 O ATOM 1112 OD2 ASP A 107 -4.496 -10.077 -11.745 1.00 1.57 O ATOM 0 H ASP A 107 -3.801 -14.132 -10.215 1.00 0.54 H new ATOM 0 HA ASP A 107 -2.982 -11.470 -9.309 1.00 0.50 H new ATOM 0 HB2 ASP A 107 -5.469 -12.744 -10.492 1.00 0.56 H new ATOM 0 HB3 ASP A 107 -5.572 -11.146 -9.781 1.00 0.56 H new ATOM 1117 N LEU A 108 -4.708 -11.139 -7.302 1.00 0.37 N ATOM 1118 CA LEU A 108 -5.268 -11.116 -5.919 1.00 0.34 C ATOM 1119 C LEU A 108 -6.792 -11.028 -5.984 1.00 0.33 C ATOM 1120 O LEU A 108 -7.494 -11.926 -5.565 1.00 0.40 O ATOM 1121 CB LEU A 108 -4.732 -9.896 -5.159 1.00 0.35 C ATOM 1122 CG LEU A 108 -3.323 -9.554 -5.645 1.00 0.43 C ATOM 1123 CD1 LEU A 108 -3.399 -8.440 -6.691 1.00 0.53 C ATOM 1124 CD2 LEU A 108 -2.480 -9.080 -4.459 1.00 0.44 C ATOM 0 H LEU A 108 -4.648 -10.230 -7.761 1.00 0.37 H new ATOM 0 HA LEU A 108 -4.971 -12.029 -5.403 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -5.394 -9.044 -5.310 1.00 0.35 H new ATOM 0 HB3 LEU A 108 -4.716 -10.102 -4.089 1.00 0.35 H new ATOM 0 HG LEU A 108 -2.867 -10.438 -6.089 1.00 0.43 H new ATOM 0 HD11 LEU A 108 -2.394 -8.197 -7.037 1.00 0.53 H new ATOM 0 HD12 LEU A 108 -4.003 -8.774 -7.535 1.00 0.53 H new ATOM 0 HD13 LEU A 108 -3.854 -7.555 -6.247 1.00 0.53 H new ATOM 0 HD21 LEU A 108 -1.475 -8.835 -4.802 1.00 0.44 H new ATOM 0 HD22 LEU A 108 -2.938 -8.195 -4.017 1.00 0.44 H new ATOM 0 HD23 LEU A 108 -2.426 -9.872 -3.712 1.00 0.44 H new ATOM 1136 N THR A 109 -7.309 -9.949 -6.504 1.00 0.30 N ATOM 1137 CA THR A 109 -8.787 -9.801 -6.594 1.00 0.33 C ATOM 1138 C THR A 109 -9.353 -10.878 -7.519 1.00 0.44 C ATOM 1139 O THR A 109 -10.472 -11.322 -7.354 1.00 0.50 O ATOM 1140 CB THR A 109 -9.126 -8.416 -7.143 1.00 0.35 C ATOM 1141 OG1 THR A 109 -8.798 -8.361 -8.525 1.00 0.46 O ATOM 1142 CG2 THR A 109 -8.323 -7.361 -6.381 1.00 0.31 C ATOM 0 H THR A 109 -6.771 -9.164 -6.870 1.00 0.30 H new ATOM 0 HA THR A 109 -9.227 -9.913 -5.603 1.00 0.33 H new ATOM 0 HB THR A 109 -10.191 -8.222 -7.018 1.00 0.35 H new ATOM 0 HG1 THR A 109 -9.017 -7.473 -8.878 1.00 0.46 H new ATOM 0 HG21 THR A 109 -8.562 -6.371 -6.770 1.00 0.31 H new ATOM 0 HG22 THR A 109 -8.576 -7.406 -5.322 1.00 0.31 H new ATOM 0 HG23 THR A 109 -7.258 -7.553 -6.508 1.00 0.31 H new ATOM 1150 N SER A 110 -8.589 -11.307 -8.488 1.00 0.50 N ATOM 1151 CA SER A 110 -9.090 -12.361 -9.415 1.00 0.63 C ATOM 1152 C SER A 110 -9.525 -13.569 -8.588 1.00 0.69 C ATOM 1153 O SER A 110 -10.467 -14.261 -8.919 1.00 0.81 O ATOM 1154 CB SER A 110 -7.973 -12.772 -10.374 1.00 0.71 C ATOM 1155 OG SER A 110 -8.537 -13.447 -11.491 1.00 0.94 O ATOM 0 H SER A 110 -7.643 -10.974 -8.677 1.00 0.50 H new ATOM 0 HA SER A 110 -9.933 -11.981 -9.993 1.00 0.63 H new ATOM 0 HB2 SER A 110 -7.422 -11.892 -10.707 1.00 0.71 H new ATOM 0 HB3 SER A 110 -7.261 -13.421 -9.864 1.00 0.71 H new ATOM 0 HG SER A 110 -7.823 -13.710 -12.109 1.00 0.94 H new ATOM 1161 N GLN A 111 -8.842 -13.820 -7.506 1.00 0.64 N ATOM 1162 CA GLN A 111 -9.202 -14.972 -6.638 1.00 0.75 C ATOM 1163 C GLN A 111 -10.333 -14.557 -5.692 1.00 0.80 C ATOM 1164 O GLN A 111 -11.135 -15.369 -5.273 1.00 1.24 O ATOM 1165 CB GLN A 111 -7.976 -15.389 -5.821 1.00 0.75 C ATOM 1166 CG GLN A 111 -8.125 -16.847 -5.383 1.00 0.94 C ATOM 1167 CD GLN A 111 -7.114 -17.713 -6.138 1.00 1.66 C ATOM 1168 OE1 GLN A 111 -6.684 -17.362 -7.219 1.00 2.39 O ATOM 1169 NE2 GLN A 111 -6.714 -18.837 -5.611 1.00 2.15 N ATOM 0 H GLN A 111 -8.044 -13.271 -7.185 1.00 0.64 H new ATOM 0 HA GLN A 111 -9.532 -15.810 -7.252 1.00 0.75 H new ATOM 0 HB2 GLN A 111 -7.071 -15.268 -6.416 1.00 0.75 H new ATOM 0 HB3 GLN A 111 -7.872 -14.745 -4.948 1.00 0.75 H new ATOM 0 HG2 GLN A 111 -7.963 -16.933 -4.309 1.00 0.94 H new ATOM 0 HG3 GLN A 111 -9.138 -17.196 -5.582 1.00 0.94 H new ATOM 0 HE21 GLN A 111 -7.075 -19.132 -4.704 1.00 2.15 H new ATOM 0 HE22 GLN A 111 -6.040 -19.421 -6.106 1.00 2.15 H new ATOM 1178 N LEU A 112 -10.405 -13.296 -5.352 1.00 0.65 N ATOM 1179 CA LEU A 112 -11.483 -12.829 -4.434 1.00 0.66 C ATOM 1180 C LEU A 112 -12.792 -12.684 -5.213 1.00 0.72 C ATOM 1181 O LEU A 112 -12.832 -12.835 -6.418 1.00 0.82 O ATOM 1182 CB LEU A 112 -11.103 -11.468 -3.843 1.00 0.61 C ATOM 1183 CG LEU A 112 -9.697 -11.534 -3.247 1.00 0.71 C ATOM 1184 CD1 LEU A 112 -9.194 -10.115 -2.974 1.00 0.66 C ATOM 1185 CD2 LEU A 112 -9.735 -12.322 -1.936 1.00 1.17 C ATOM 0 H LEU A 112 -9.763 -12.570 -5.671 1.00 0.65 H new ATOM 0 HA LEU A 112 -11.609 -13.556 -3.632 1.00 0.66 H new ATOM 0 HB2 LEU A 112 -11.144 -10.702 -4.617 1.00 0.61 H new ATOM 0 HB3 LEU A 112 -11.821 -11.183 -3.074 1.00 0.61 H new ATOM 0 HG LEU A 112 -9.027 -12.030 -3.949 1.00 0.71 H new ATOM 0 HD11 LEU A 112 -8.191 -10.160 -2.549 1.00 0.66 H new ATOM 0 HD12 LEU A 112 -9.168 -9.552 -3.907 1.00 0.66 H new ATOM 0 HD13 LEU A 112 -9.864 -9.620 -2.271 1.00 0.66 H new ATOM 0 HD21 LEU A 112 -8.733 -12.369 -1.511 1.00 1.17 H new ATOM 0 HD22 LEU A 112 -10.404 -11.826 -1.233 1.00 1.17 H new ATOM 0 HD23 LEU A 112 -10.095 -13.332 -2.129 1.00 1.17 H new ATOM 1197 N HIS A 113 -13.864 -12.386 -4.530 1.00 0.78 N ATOM 1198 CA HIS A 113 -15.174 -12.224 -5.222 1.00 0.87 C ATOM 1199 C HIS A 113 -15.620 -10.764 -5.111 1.00 0.85 C ATOM 1200 O HIS A 113 -16.209 -10.212 -6.019 1.00 1.58 O ATOM 1201 CB HIS A 113 -16.216 -13.128 -4.561 1.00 1.05 C ATOM 1202 CG HIS A 113 -15.996 -14.551 -4.997 1.00 1.52 C ATOM 1203 ND1 HIS A 113 -16.767 -15.598 -4.518 1.00 2.24 N ATOM 1204 CD2 HIS A 113 -15.096 -15.115 -5.867 1.00 2.30 C ATOM 1205 CE1 HIS A 113 -16.320 -16.728 -5.097 1.00 2.92 C ATOM 1206 NE2 HIS A 113 -15.303 -16.490 -5.929 1.00 2.98 N ATOM 0 H HIS A 113 -13.889 -12.247 -3.520 1.00 0.78 H new ATOM 0 HA HIS A 113 -15.073 -12.499 -6.272 1.00 0.87 H new ATOM 0 HB2 HIS A 113 -16.142 -13.053 -3.476 1.00 1.05 H new ATOM 0 HB3 HIS A 113 -17.220 -12.804 -4.835 1.00 1.05 H new ATOM 0 HD2 HIS A 113 -14.342 -14.574 -6.419 1.00 2.30 H new ATOM 0 HE1 HIS A 113 -16.734 -17.708 -4.911 1.00 2.92 H new ATOM 0 HE2 HIS A 113 -14.789 -17.170 -6.489 1.00 2.98 H new ATOM 1214 N ILE A 114 -15.338 -10.139 -4.000 1.00 0.65 N ATOM 1215 CA ILE A 114 -15.732 -8.714 -3.805 1.00 0.53 C ATOM 1216 C ILE A 114 -17.249 -8.580 -3.784 1.00 0.60 C ATOM 1217 O ILE A 114 -17.953 -9.146 -4.595 1.00 1.15 O ATOM 1218 CB ILE A 114 -15.168 -7.854 -4.932 1.00 0.45 C ATOM 1219 CG1 ILE A 114 -13.691 -8.180 -5.120 1.00 0.52 C ATOM 1220 CG2 ILE A 114 -15.319 -6.376 -4.569 1.00 0.59 C ATOM 1221 CD1 ILE A 114 -13.005 -8.250 -3.755 1.00 0.56 C ATOM 0 H ILE A 114 -14.846 -10.559 -3.211 1.00 0.65 H new ATOM 0 HA ILE A 114 -15.328 -8.375 -2.851 1.00 0.53 H new ATOM 0 HB ILE A 114 -15.710 -8.058 -5.855 1.00 0.45 H new ATOM 0 HG12 ILE A 114 -13.581 -9.130 -5.643 1.00 0.52 H new ATOM 0 HG13 ILE A 114 -13.216 -7.419 -5.739 1.00 0.52 H new ATOM 0 HG21 ILE A 114 -14.916 -5.761 -5.374 1.00 0.59 H new ATOM 0 HG22 ILE A 114 -16.374 -6.142 -4.427 1.00 0.59 H new ATOM 0 HG23 ILE A 114 -14.774 -6.170 -3.648 1.00 0.59 H new ATOM 0 HD11 ILE A 114 -11.949 -8.483 -3.890 1.00 0.56 H new ATOM 0 HD12 ILE A 114 -13.103 -7.290 -3.249 1.00 0.56 H new ATOM 0 HD13 ILE A 114 -13.474 -9.027 -3.152 1.00 0.56 H new ATOM 1233 N THR A 115 -17.745 -7.821 -2.852 1.00 0.65 N ATOM 1234 CA THR A 115 -19.218 -7.607 -2.734 1.00 0.65 C ATOM 1235 C THR A 115 -19.495 -6.797 -1.459 1.00 0.50 C ATOM 1236 O THR A 115 -18.774 -6.924 -0.489 1.00 0.49 O ATOM 1237 CB THR A 115 -19.952 -8.952 -2.643 1.00 0.82 C ATOM 1238 OG1 THR A 115 -19.035 -9.983 -2.303 1.00 1.09 O ATOM 1239 CG2 THR A 115 -20.610 -9.271 -3.986 1.00 1.30 C ATOM 0 H THR A 115 -17.186 -7.330 -2.154 1.00 0.65 H new ATOM 0 HA THR A 115 -19.574 -7.072 -3.615 1.00 0.65 H new ATOM 0 HB THR A 115 -20.719 -8.888 -1.871 1.00 0.82 H new ATOM 0 HG1 THR A 115 -19.511 -10.838 -2.246 1.00 1.09 H new ATOM 0 HG21 THR A 115 -21.130 -10.226 -3.918 1.00 1.30 H new ATOM 0 HG22 THR A 115 -21.324 -8.486 -4.237 1.00 1.30 H new ATOM 0 HG23 THR A 115 -19.846 -9.328 -4.761 1.00 1.30 H new ATOM 1247 N PRO A 116 -20.527 -5.989 -1.491 1.00 0.51 N ATOM 1248 CA PRO A 116 -20.912 -5.152 -0.349 1.00 0.48 C ATOM 1249 C PRO A 116 -21.556 -6.015 0.740 1.00 0.51 C ATOM 1250 O PRO A 116 -22.763 -6.119 0.830 1.00 0.56 O ATOM 1251 CB PRO A 116 -21.916 -4.144 -0.895 1.00 0.56 C ATOM 1252 CG PRO A 116 -22.513 -4.881 -2.119 1.00 0.64 C ATOM 1253 CD PRO A 116 -21.414 -5.826 -2.664 1.00 0.66 C ATOM 0 HA PRO A 116 -20.052 -4.655 0.099 1.00 0.48 H new ATOM 0 HB2 PRO A 116 -22.681 -3.897 -0.159 1.00 0.56 H new ATOM 0 HB3 PRO A 116 -21.435 -3.209 -1.181 1.00 0.56 H new ATOM 0 HG2 PRO A 116 -23.400 -5.447 -1.833 1.00 0.64 H new ATOM 0 HG3 PRO A 116 -22.822 -4.169 -2.884 1.00 0.64 H new ATOM 0 HD2 PRO A 116 -21.826 -6.778 -2.998 1.00 0.66 H new ATOM 0 HD3 PRO A 116 -20.888 -5.391 -3.514 1.00 0.66 H new ATOM 1261 N GLY A 117 -20.757 -6.634 1.566 1.00 0.56 N ATOM 1262 CA GLY A 117 -21.318 -7.490 2.648 1.00 0.72 C ATOM 1263 C GLY A 117 -20.241 -8.458 3.140 1.00 0.74 C ATOM 1264 O GLY A 117 -20.112 -8.711 4.322 1.00 0.96 O ATOM 0 H GLY A 117 -19.739 -6.583 1.538 1.00 0.56 H new ATOM 0 HA2 GLY A 117 -21.669 -6.870 3.473 1.00 0.72 H new ATOM 0 HA3 GLY A 117 -22.180 -8.045 2.278 1.00 0.72 H new ATOM 1268 N THR A 118 -19.464 -9.002 2.243 1.00 0.62 N ATOM 1269 CA THR A 118 -18.395 -9.953 2.659 1.00 0.65 C ATOM 1270 C THR A 118 -17.060 -9.527 2.042 1.00 0.57 C ATOM 1271 O THR A 118 -16.190 -10.341 1.801 1.00 0.61 O ATOM 1272 CB THR A 118 -18.752 -11.362 2.181 1.00 0.78 C ATOM 1273 OG1 THR A 118 -19.790 -11.283 1.214 1.00 1.00 O ATOM 1274 CG2 THR A 118 -19.221 -12.201 3.370 1.00 1.00 C ATOM 0 H THR A 118 -19.524 -8.829 1.240 1.00 0.62 H new ATOM 0 HA THR A 118 -18.309 -9.948 3.746 1.00 0.65 H new ATOM 0 HB THR A 118 -17.874 -11.829 1.734 1.00 0.78 H new ATOM 0 HG1 THR A 118 -20.019 -12.185 0.905 1.00 1.00 H new ATOM 0 HG21 THR A 118 -19.475 -13.205 3.029 1.00 1.00 H new ATOM 0 HG22 THR A 118 -18.423 -12.260 4.111 1.00 1.00 H new ATOM 0 HG23 THR A 118 -20.099 -11.737 3.819 1.00 1.00 H new ATOM 1282 N ALA A 119 -16.890 -8.259 1.785 1.00 0.48 N ATOM 1283 CA ALA A 119 -15.610 -7.785 1.186 1.00 0.42 C ATOM 1284 C ALA A 119 -14.611 -7.483 2.303 1.00 0.35 C ATOM 1285 O ALA A 119 -13.475 -7.915 2.269 1.00 0.34 O ATOM 1286 CB ALA A 119 -15.868 -6.515 0.374 1.00 0.43 C ATOM 0 H ALA A 119 -17.582 -7.531 1.964 1.00 0.48 H new ATOM 0 HA ALA A 119 -15.204 -8.557 0.532 1.00 0.42 H new ATOM 0 HB1 ALA A 119 -14.933 -6.167 -0.065 1.00 0.43 H new ATOM 0 HB2 ALA A 119 -16.583 -6.730 -0.420 1.00 0.43 H new ATOM 0 HB3 ALA A 119 -16.272 -5.741 1.027 1.00 0.43 H new ATOM 1292 N TYR A 120 -15.026 -6.744 3.295 1.00 0.36 N ATOM 1293 CA TYR A 120 -14.103 -6.415 4.416 1.00 0.36 C ATOM 1294 C TYR A 120 -13.557 -7.711 5.015 1.00 0.35 C ATOM 1295 O TYR A 120 -12.443 -7.763 5.494 1.00 0.35 O ATOM 1296 CB TYR A 120 -14.863 -5.634 5.490 1.00 0.43 C ATOM 1297 CG TYR A 120 -14.962 -6.468 6.745 1.00 0.69 C ATOM 1298 CD1 TYR A 120 -16.015 -7.378 6.900 1.00 1.80 C ATOM 1299 CD2 TYR A 120 -14.002 -6.330 7.754 1.00 1.05 C ATOM 1300 CE1 TYR A 120 -16.107 -8.150 8.064 1.00 2.18 C ATOM 1301 CE2 TYR A 120 -14.094 -7.102 8.919 1.00 1.17 C ATOM 1302 CZ TYR A 120 -15.147 -8.012 9.074 1.00 1.49 C ATOM 1303 OH TYR A 120 -15.238 -8.773 10.221 1.00 1.91 O ATOM 0 H TYR A 120 -15.965 -6.354 3.377 1.00 0.36 H new ATOM 0 HA TYR A 120 -13.277 -5.808 4.045 1.00 0.36 H new ATOM 0 HB2 TYR A 120 -14.350 -4.696 5.704 1.00 0.43 H new ATOM 0 HB3 TYR A 120 -15.860 -5.378 5.131 1.00 0.43 H new ATOM 0 HD1 TYR A 120 -16.756 -7.484 6.122 1.00 1.80 H new ATOM 0 HD2 TYR A 120 -13.190 -5.628 7.634 1.00 1.05 H new ATOM 0 HE1 TYR A 120 -16.919 -8.852 8.183 1.00 2.18 H new ATOM 0 HE2 TYR A 120 -13.353 -6.995 9.698 1.00 1.17 H new ATOM 0 HH TYR A 120 -14.492 -8.555 10.818 1.00 1.91 H new ATOM 1313 N GLN A 121 -14.334 -8.759 4.991 1.00 0.36 N ATOM 1314 CA GLN A 121 -13.860 -10.052 5.559 1.00 0.38 C ATOM 1315 C GLN A 121 -12.705 -10.587 4.710 1.00 0.34 C ATOM 1316 O GLN A 121 -11.729 -11.096 5.225 1.00 0.37 O ATOM 1317 CB GLN A 121 -15.011 -11.061 5.553 1.00 0.42 C ATOM 1318 CG GLN A 121 -15.033 -11.821 6.880 1.00 0.93 C ATOM 1319 CD GLN A 121 -14.165 -13.076 6.766 1.00 1.49 C ATOM 1320 OE1 GLN A 121 -13.948 -13.582 5.683 1.00 2.16 O ATOM 1321 NE2 GLN A 121 -13.656 -13.602 7.846 1.00 2.21 N ATOM 0 H GLN A 121 -15.277 -8.775 4.602 1.00 0.36 H new ATOM 0 HA GLN A 121 -13.517 -9.899 6.582 1.00 0.38 H new ATOM 0 HB2 GLN A 121 -15.959 -10.545 5.402 1.00 0.42 H new ATOM 0 HB3 GLN A 121 -14.892 -11.759 4.724 1.00 0.42 H new ATOM 0 HG2 GLN A 121 -14.664 -11.183 7.683 1.00 0.93 H new ATOM 0 HG3 GLN A 121 -16.056 -12.096 7.136 1.00 0.93 H new ATOM 0 HE21 GLN A 121 -13.838 -13.177 8.755 1.00 2.21 H new ATOM 0 HE22 GLN A 121 -13.076 -14.438 7.781 1.00 2.21 H new ATOM 1330 N SER A 122 -12.804 -10.476 3.413 1.00 0.32 N ATOM 1331 CA SER A 122 -11.708 -10.978 2.537 1.00 0.31 C ATOM 1332 C SER A 122 -10.409 -10.250 2.889 1.00 0.29 C ATOM 1333 O SER A 122 -9.403 -10.862 3.195 1.00 0.29 O ATOM 1334 CB SER A 122 -12.061 -10.712 1.073 1.00 0.33 C ATOM 1335 OG SER A 122 -12.316 -11.948 0.420 1.00 1.13 O ATOM 0 H SER A 122 -13.596 -10.060 2.923 1.00 0.32 H new ATOM 0 HA SER A 122 -11.580 -12.050 2.688 1.00 0.31 H new ATOM 0 HB2 SER A 122 -12.937 -10.066 1.010 1.00 0.33 H new ATOM 0 HB3 SER A 122 -11.243 -10.188 0.579 1.00 0.33 H new ATOM 0 HG SER A 122 -12.544 -11.781 -0.518 1.00 1.13 H new ATOM 1341 N PHE A 123 -10.424 -8.946 2.852 1.00 0.30 N ATOM 1342 CA PHE A 123 -9.192 -8.178 3.189 1.00 0.31 C ATOM 1343 C PHE A 123 -8.790 -8.463 4.641 1.00 0.29 C ATOM 1344 O PHE A 123 -7.649 -8.291 5.022 1.00 0.31 O ATOM 1345 CB PHE A 123 -9.462 -6.682 3.007 1.00 0.36 C ATOM 1346 CG PHE A 123 -9.200 -5.952 4.303 1.00 0.38 C ATOM 1347 CD1 PHE A 123 -7.898 -5.565 4.639 1.00 1.42 C ATOM 1348 CD2 PHE A 123 -10.262 -5.658 5.167 1.00 1.14 C ATOM 1349 CE1 PHE A 123 -7.657 -4.884 5.838 1.00 1.57 C ATOM 1350 CE2 PHE A 123 -10.021 -4.977 6.366 1.00 1.21 C ATOM 1351 CZ PHE A 123 -8.719 -4.590 6.702 1.00 0.89 C ATOM 0 H PHE A 123 -11.235 -8.380 2.603 1.00 0.30 H new ATOM 0 HA PHE A 123 -8.379 -8.481 2.529 1.00 0.31 H new ATOM 0 HB2 PHE A 123 -8.825 -6.282 2.219 1.00 0.36 H new ATOM 0 HB3 PHE A 123 -10.494 -6.525 2.693 1.00 0.36 H new ATOM 0 HD1 PHE A 123 -7.079 -5.792 3.973 1.00 1.42 H new ATOM 0 HD2 PHE A 123 -11.267 -5.957 4.908 1.00 1.14 H new ATOM 0 HE1 PHE A 123 -6.652 -4.585 6.097 1.00 1.57 H new ATOM 0 HE2 PHE A 123 -10.840 -4.750 7.032 1.00 1.21 H new ATOM 0 HZ PHE A 123 -8.533 -4.065 7.627 1.00 0.89 H new ATOM 1361 N GLU A 124 -9.716 -8.900 5.457 1.00 0.30 N ATOM 1362 CA GLU A 124 -9.381 -9.196 6.878 1.00 0.32 C ATOM 1363 C GLU A 124 -8.550 -10.479 6.948 1.00 0.31 C ATOM 1364 O GLU A 124 -7.689 -10.629 7.793 1.00 0.33 O ATOM 1365 CB GLU A 124 -10.676 -9.386 7.673 1.00 0.37 C ATOM 1366 CG GLU A 124 -10.563 -8.667 9.018 1.00 0.82 C ATOM 1367 CD GLU A 124 -9.227 -9.017 9.675 1.00 1.01 C ATOM 1368 OE1 GLU A 124 -8.981 -10.194 9.882 1.00 1.93 O ATOM 1369 OE2 GLU A 124 -8.471 -8.102 9.959 1.00 1.41 O ATOM 0 H GLU A 124 -10.689 -9.064 5.198 1.00 0.30 H new ATOM 0 HA GLU A 124 -8.810 -8.369 7.299 1.00 0.32 H new ATOM 0 HB2 GLU A 124 -11.522 -8.993 7.109 1.00 0.37 H new ATOM 0 HB3 GLU A 124 -10.865 -10.448 7.832 1.00 0.37 H new ATOM 0 HG2 GLU A 124 -10.637 -7.589 8.873 1.00 0.82 H new ATOM 0 HG3 GLU A 124 -11.387 -8.959 9.669 1.00 0.82 H new ATOM 1376 N GLN A 125 -8.803 -11.408 6.066 1.00 0.30 N ATOM 1377 CA GLN A 125 -8.031 -12.682 6.081 1.00 0.30 C ATOM 1378 C GLN A 125 -6.618 -12.428 5.554 1.00 0.30 C ATOM 1379 O GLN A 125 -5.648 -12.932 6.085 1.00 0.35 O ATOM 1380 CB GLN A 125 -8.729 -13.713 5.192 1.00 0.32 C ATOM 1381 CG GLN A 125 -9.627 -14.605 6.052 1.00 0.68 C ATOM 1382 CD GLN A 125 -9.640 -16.023 5.477 1.00 1.23 C ATOM 1383 OE1 GLN A 125 -8.606 -16.564 5.141 1.00 1.96 O ATOM 1384 NE2 GLN A 125 -10.777 -16.651 5.350 1.00 1.95 N ATOM 0 H GLN A 125 -9.512 -11.339 5.336 1.00 0.30 H new ATOM 0 HA GLN A 125 -7.976 -13.061 7.102 1.00 0.30 H new ATOM 0 HB2 GLN A 125 -9.323 -13.209 4.429 1.00 0.32 H new ATOM 0 HB3 GLN A 125 -7.989 -14.319 4.670 1.00 0.32 H new ATOM 0 HG2 GLN A 125 -9.264 -14.621 7.080 1.00 0.68 H new ATOM 0 HG3 GLN A 125 -10.640 -14.202 6.078 1.00 0.68 H new ATOM 0 HE21 GLN A 125 -11.645 -16.196 5.632 1.00 1.95 H new ATOM 0 HE22 GLN A 125 -10.797 -17.597 4.968 1.00 1.95 H new ATOM 1393 N VAL A 126 -6.492 -11.650 4.515 1.00 0.27 N ATOM 1394 CA VAL A 126 -5.137 -11.369 3.960 1.00 0.28 C ATOM 1395 C VAL A 126 -4.341 -10.535 4.967 1.00 0.29 C ATOM 1396 O VAL A 126 -3.131 -10.628 5.049 1.00 0.31 O ATOM 1397 CB VAL A 126 -5.268 -10.593 2.648 1.00 0.28 C ATOM 1398 CG1 VAL A 126 -3.939 -10.644 1.891 1.00 0.34 C ATOM 1399 CG2 VAL A 126 -6.365 -11.225 1.788 1.00 0.31 C ATOM 0 H VAL A 126 -7.265 -11.198 4.027 1.00 0.27 H new ATOM 0 HA VAL A 126 -4.620 -12.310 3.772 1.00 0.28 H new ATOM 0 HB VAL A 126 -5.526 -9.556 2.864 1.00 0.28 H new ATOM 0 HG11 VAL A 126 -4.031 -10.091 0.956 1.00 0.34 H new ATOM 0 HG12 VAL A 126 -3.155 -10.196 2.502 1.00 0.34 H new ATOM 0 HG13 VAL A 126 -3.683 -11.681 1.676 1.00 0.34 H new ATOM 0 HG21 VAL A 126 -6.458 -10.672 0.853 1.00 0.31 H new ATOM 0 HG22 VAL A 126 -6.106 -12.262 1.572 1.00 0.31 H new ATOM 0 HG23 VAL A 126 -7.313 -11.192 2.325 1.00 0.31 H new ATOM 1409 N VAL A 127 -5.011 -9.719 5.734 1.00 0.33 N ATOM 1410 CA VAL A 127 -4.297 -8.878 6.735 1.00 0.37 C ATOM 1411 C VAL A 127 -3.672 -9.775 7.804 1.00 0.35 C ATOM 1412 O VAL A 127 -2.484 -9.734 8.040 1.00 0.40 O ATOM 1413 CB VAL A 127 -5.287 -7.916 7.391 1.00 0.46 C ATOM 1414 CG1 VAL A 127 -4.899 -7.701 8.855 1.00 0.77 C ATOM 1415 CG2 VAL A 127 -5.256 -6.576 6.654 1.00 0.66 C ATOM 0 H VAL A 127 -6.024 -9.599 5.710 1.00 0.33 H new ATOM 0 HA VAL A 127 -3.513 -8.308 6.237 1.00 0.37 H new ATOM 0 HB VAL A 127 -6.291 -8.338 7.341 1.00 0.46 H new ATOM 0 HG11 VAL A 127 -5.606 -7.015 9.322 1.00 0.77 H new ATOM 0 HG12 VAL A 127 -4.919 -8.656 9.381 1.00 0.77 H new ATOM 0 HG13 VAL A 127 -3.895 -7.279 8.907 1.00 0.77 H new ATOM 0 HG21 VAL A 127 -5.961 -5.888 7.120 1.00 0.66 H new ATOM 0 HG22 VAL A 127 -4.252 -6.156 6.705 1.00 0.66 H new ATOM 0 HG23 VAL A 127 -5.533 -6.728 5.611 1.00 0.66 H new ATOM 1425 N ASN A 128 -4.463 -10.584 8.452 1.00 0.37 N ATOM 1426 CA ASN A 128 -3.913 -11.482 9.506 1.00 0.40 C ATOM 1427 C ASN A 128 -2.792 -12.338 8.913 1.00 0.36 C ATOM 1428 O ASN A 128 -1.809 -12.629 9.565 1.00 0.41 O ATOM 1429 CB ASN A 128 -5.026 -12.392 10.031 1.00 0.47 C ATOM 1430 CG ASN A 128 -4.711 -12.808 11.469 1.00 1.01 C ATOM 1431 OD1 ASN A 128 -3.846 -12.237 12.103 1.00 1.78 O ATOM 1432 ND2 ASN A 128 -5.380 -13.787 12.013 1.00 1.48 N ATOM 0 H ASN A 128 -5.468 -10.662 8.297 1.00 0.37 H new ATOM 0 HA ASN A 128 -3.517 -10.882 10.325 1.00 0.40 H new ATOM 0 HB2 ASN A 128 -5.983 -11.872 9.993 1.00 0.47 H new ATOM 0 HB3 ASN A 128 -5.117 -13.275 9.398 1.00 0.47 H new ATOM 0 HD21 ASN A 128 -5.177 -14.073 12.971 1.00 1.48 H new ATOM 0 HD22 ASN A 128 -6.106 -14.266 11.481 1.00 1.48 H new ATOM 1439 N GLU A 129 -2.934 -12.742 7.680 1.00 0.30 N ATOM 1440 CA GLU A 129 -1.879 -13.578 7.038 1.00 0.31 C ATOM 1441 C GLU A 129 -0.527 -12.871 7.155 1.00 0.29 C ATOM 1442 O GLU A 129 0.403 -13.375 7.754 1.00 0.34 O ATOM 1443 CB GLU A 129 -2.205 -13.756 5.555 1.00 0.38 C ATOM 1444 CG GLU A 129 -2.667 -15.189 5.275 1.00 0.53 C ATOM 1445 CD GLU A 129 -3.728 -15.597 6.299 1.00 0.56 C ATOM 1446 OE1 GLU A 129 -4.890 -15.310 6.064 1.00 1.20 O ATOM 1447 OE2 GLU A 129 -3.361 -16.190 7.300 1.00 1.05 O ATOM 0 H GLU A 129 -3.737 -12.529 7.088 1.00 0.30 H new ATOM 0 HA GLU A 129 -1.839 -14.548 7.534 1.00 0.31 H new ATOM 0 HB2 GLU A 129 -2.984 -13.053 5.261 1.00 0.38 H new ATOM 0 HB3 GLU A 129 -1.325 -13.527 4.953 1.00 0.38 H new ATOM 0 HG2 GLU A 129 -3.075 -15.260 4.267 1.00 0.53 H new ATOM 0 HG3 GLU A 129 -1.818 -15.871 5.324 1.00 0.53 H new ATOM 1454 N LEU A 130 -0.418 -11.707 6.576 1.00 0.27 N ATOM 1455 CA LEU A 130 0.864 -10.949 6.631 1.00 0.28 C ATOM 1456 C LEU A 130 1.341 -10.821 8.080 1.00 0.29 C ATOM 1457 O LEU A 130 2.464 -11.152 8.404 1.00 0.37 O ATOM 1458 CB LEU A 130 0.647 -9.551 6.044 1.00 0.30 C ATOM 1459 CG LEU A 130 0.834 -9.592 4.524 1.00 0.26 C ATOM 1460 CD1 LEU A 130 0.035 -10.756 3.934 1.00 0.28 C ATOM 1461 CD2 LEU A 130 0.335 -8.278 3.918 1.00 0.29 C ATOM 0 H LEU A 130 -1.169 -11.245 6.063 1.00 0.27 H new ATOM 0 HA LEU A 130 1.620 -11.483 6.055 1.00 0.28 H new ATOM 0 HB2 LEU A 130 -0.354 -9.196 6.287 1.00 0.30 H new ATOM 0 HB3 LEU A 130 1.351 -8.847 6.487 1.00 0.30 H new ATOM 0 HG LEU A 130 1.891 -9.728 4.295 1.00 0.26 H new ATOM 0 HD11 LEU A 130 0.172 -10.780 2.853 1.00 0.28 H new ATOM 0 HD12 LEU A 130 0.386 -11.694 4.365 1.00 0.28 H new ATOM 0 HD13 LEU A 130 -1.023 -10.625 4.163 1.00 0.28 H new ATOM 0 HD21 LEU A 130 0.466 -8.303 2.836 1.00 0.29 H new ATOM 0 HD22 LEU A 130 -0.721 -8.147 4.152 1.00 0.29 H new ATOM 0 HD23 LEU A 130 0.904 -7.446 4.333 1.00 0.29 H new ATOM 1473 N PHE A 131 0.500 -10.340 8.953 1.00 0.33 N ATOM 1474 CA PHE A 131 0.912 -10.189 10.376 1.00 0.37 C ATOM 1475 C PHE A 131 1.222 -11.562 10.973 1.00 0.39 C ATOM 1476 O PHE A 131 0.340 -12.275 11.410 1.00 0.43 O ATOM 1477 CB PHE A 131 -0.218 -9.526 11.166 1.00 0.41 C ATOM 1478 CG PHE A 131 -0.044 -8.027 11.125 1.00 0.44 C ATOM 1479 CD1 PHE A 131 0.511 -7.418 9.992 1.00 1.32 C ATOM 1480 CD2 PHE A 131 -0.435 -7.246 12.219 1.00 1.22 C ATOM 1481 CE1 PHE A 131 0.675 -6.028 9.954 1.00 1.34 C ATOM 1482 CE2 PHE A 131 -0.271 -5.856 12.180 1.00 1.22 C ATOM 1483 CZ PHE A 131 0.284 -5.247 11.048 1.00 0.51 C ATOM 0 H PHE A 131 -0.454 -10.045 8.743 1.00 0.33 H new ATOM 0 HA PHE A 131 1.805 -9.567 10.430 1.00 0.37 H new ATOM 0 HB2 PHE A 131 -1.184 -9.803 10.743 1.00 0.41 H new ATOM 0 HB3 PHE A 131 -0.210 -9.876 12.198 1.00 0.41 H new ATOM 0 HD1 PHE A 131 0.812 -8.021 9.148 1.00 1.32 H new ATOM 0 HD2 PHE A 131 -0.863 -7.715 13.093 1.00 1.22 H new ATOM 0 HE1 PHE A 131 1.103 -5.558 9.081 1.00 1.34 H new ATOM 0 HE2 PHE A 131 -0.573 -5.253 13.024 1.00 1.22 H new ATOM 0 HZ PHE A 131 0.410 -4.175 11.019 1.00 0.51 H new ATOM 1493 N ARG A 132 2.472 -11.937 10.997 1.00 0.42 N ATOM 1494 CA ARG A 132 2.842 -13.263 11.567 1.00 0.48 C ATOM 1495 C ARG A 132 2.940 -13.156 13.092 1.00 0.58 C ATOM 1496 O ARG A 132 2.743 -14.120 13.804 1.00 0.68 O ATOM 1497 CB ARG A 132 4.193 -13.704 10.999 1.00 0.49 C ATOM 1498 CG ARG A 132 3.967 -14.668 9.832 1.00 1.13 C ATOM 1499 CD ARG A 132 4.550 -16.038 10.181 1.00 1.62 C ATOM 1500 NE ARG A 132 4.749 -16.826 8.931 1.00 2.32 N ATOM 1501 CZ ARG A 132 4.508 -18.108 8.923 1.00 2.85 C ATOM 1502 NH1 ARG A 132 4.914 -18.855 9.914 1.00 3.36 N ATOM 1503 NH2 ARG A 132 3.862 -18.645 7.924 1.00 3.39 N ATOM 0 H ARG A 132 3.253 -11.382 10.646 1.00 0.42 H new ATOM 0 HA ARG A 132 2.080 -13.996 11.303 1.00 0.48 H new ATOM 0 HB2 ARG A 132 4.759 -12.835 10.662 1.00 0.49 H new ATOM 0 HB3 ARG A 132 4.785 -14.189 11.775 1.00 0.49 H new ATOM 0 HG2 ARG A 132 2.901 -14.758 9.622 1.00 1.13 H new ATOM 0 HG3 ARG A 132 4.439 -14.280 8.929 1.00 1.13 H new ATOM 0 HD2 ARG A 132 5.499 -15.919 10.704 1.00 1.62 H new ATOM 0 HD3 ARG A 132 3.879 -16.570 10.856 1.00 1.62 H new ATOM 0 HE ARG A 132 5.074 -16.363 8.082 1.00 2.32 H new ATOM 0 HH11 ARG A 132 5.420 -18.436 10.695 1.00 3.36 H new ATOM 0 HH12 ARG A 132 4.725 -19.857 9.908 1.00 3.36 H new ATOM 0 HH21 ARG A 132 3.545 -18.062 7.149 1.00 3.39 H new ATOM 0 HH22 ARG A 132 3.674 -19.647 7.918 1.00 3.39 H new ATOM 1517 N ASP A 133 3.243 -11.991 13.599 1.00 0.60 N ATOM 1518 CA ASP A 133 3.352 -11.828 15.077 1.00 0.75 C ATOM 1519 C ASP A 133 3.219 -10.346 15.436 1.00 0.92 C ATOM 1520 O ASP A 133 2.526 -9.983 16.365 1.00 1.64 O ATOM 1521 CB ASP A 133 4.711 -12.347 15.549 1.00 0.77 C ATOM 1522 CG ASP A 133 4.724 -12.428 17.076 1.00 1.43 C ATOM 1523 OD1 ASP A 133 4.661 -11.385 17.706 1.00 2.10 O ATOM 1524 OD2 ASP A 133 4.795 -13.532 17.591 1.00 2.13 O ATOM 0 H ASP A 133 3.419 -11.147 13.054 1.00 0.60 H new ATOM 0 HA ASP A 133 2.558 -12.394 15.565 1.00 0.75 H new ATOM 0 HB2 ASP A 133 4.905 -13.330 15.120 1.00 0.77 H new ATOM 0 HB3 ASP A 133 5.505 -11.686 15.203 1.00 0.77 H new ATOM 1529 N GLY A 134 3.879 -9.489 14.706 1.00 0.66 N ATOM 1530 CA GLY A 134 3.790 -8.032 15.004 1.00 0.73 C ATOM 1531 C GLY A 134 3.632 -7.254 13.697 1.00 0.69 C ATOM 1532 O GLY A 134 2.689 -7.452 12.958 1.00 0.94 O ATOM 0 H GLY A 134 4.476 -9.735 13.916 1.00 0.66 H new ATOM 0 HA2 GLY A 134 2.943 -7.835 15.662 1.00 0.73 H new ATOM 0 HA3 GLY A 134 4.686 -7.702 15.530 1.00 0.73 H new ATOM 1536 N VAL A 135 4.547 -6.370 13.406 1.00 0.72 N ATOM 1537 CA VAL A 135 4.443 -5.583 12.145 1.00 0.65 C ATOM 1538 C VAL A 135 5.824 -5.458 11.503 1.00 0.59 C ATOM 1539 O VAL A 135 6.635 -4.653 11.909 1.00 0.81 O ATOM 1540 CB VAL A 135 3.905 -4.187 12.464 1.00 0.78 C ATOM 1541 CG1 VAL A 135 3.955 -3.319 11.206 1.00 0.85 C ATOM 1542 CG2 VAL A 135 2.459 -4.299 12.949 1.00 0.74 C ATOM 0 H VAL A 135 5.360 -6.159 13.985 1.00 0.72 H new ATOM 0 HA VAL A 135 3.767 -6.089 11.456 1.00 0.65 H new ATOM 0 HB VAL A 135 4.517 -3.731 13.242 1.00 0.78 H new ATOM 0 HG11 VAL A 135 3.571 -2.325 11.435 1.00 0.85 H new ATOM 0 HG12 VAL A 135 4.985 -3.240 10.859 1.00 0.85 H new ATOM 0 HG13 VAL A 135 3.344 -3.773 10.426 1.00 0.85 H new ATOM 0 HG21 VAL A 135 2.074 -3.305 13.177 1.00 0.74 H new ATOM 0 HG22 VAL A 135 1.848 -4.755 12.170 1.00 0.74 H new ATOM 0 HG23 VAL A 135 2.423 -4.917 13.846 1.00 0.74 H new ATOM 1552 N ASN A 136 6.100 -6.246 10.501 1.00 0.38 N ATOM 1553 CA ASN A 136 7.433 -6.163 9.839 1.00 0.36 C ATOM 1554 C ASN A 136 7.297 -5.415 8.511 1.00 0.32 C ATOM 1555 O ASN A 136 6.313 -5.549 7.811 1.00 0.37 O ATOM 1556 CB ASN A 136 7.961 -7.575 9.577 1.00 0.40 C ATOM 1557 CG ASN A 136 9.301 -7.760 10.290 1.00 0.81 C ATOM 1558 OD1 ASN A 136 10.312 -7.250 9.849 1.00 1.66 O ATOM 1559 ND2 ASN A 136 9.353 -8.473 11.381 1.00 1.31 N ATOM 0 H ASN A 136 5.463 -6.942 10.113 1.00 0.38 H new ATOM 0 HA ASN A 136 8.128 -5.629 10.487 1.00 0.36 H new ATOM 0 HB2 ASN A 136 7.243 -8.315 9.932 1.00 0.40 H new ATOM 0 HB3 ASN A 136 8.082 -7.736 8.506 1.00 0.40 H new ATOM 0 HD21 ASN A 136 10.242 -8.602 11.864 1.00 1.31 H new ATOM 0 HD22 ASN A 136 8.505 -8.901 11.751 1.00 1.31 H new ATOM 1566 N TRP A 137 8.279 -4.628 8.158 1.00 0.32 N ATOM 1567 CA TRP A 137 8.207 -3.873 6.875 1.00 0.34 C ATOM 1568 C TRP A 137 7.950 -4.852 5.727 1.00 0.38 C ATOM 1569 O TRP A 137 8.150 -6.043 5.859 1.00 0.67 O ATOM 1570 CB TRP A 137 9.533 -3.145 6.636 1.00 0.37 C ATOM 1571 CG TRP A 137 9.798 -2.200 7.765 1.00 0.37 C ATOM 1572 CD1 TRP A 137 10.915 -2.195 8.530 1.00 0.38 C ATOM 1573 CD2 TRP A 137 8.953 -1.125 8.269 1.00 0.42 C ATOM 1574 NE1 TRP A 137 10.809 -1.185 9.470 1.00 0.42 N ATOM 1575 CE2 TRP A 137 9.619 -0.498 9.350 1.00 0.46 C ATOM 1576 CE3 TRP A 137 7.686 -0.636 7.897 1.00 0.49 C ATOM 1577 CZ2 TRP A 137 9.049 0.573 10.036 1.00 0.55 C ATOM 1578 CZ3 TRP A 137 7.110 0.443 8.588 1.00 0.59 C ATOM 1579 CH2 TRP A 137 7.791 1.044 9.655 1.00 0.63 C ATOM 0 H TRP A 137 9.127 -4.476 8.703 1.00 0.32 H new ATOM 0 HA TRP A 137 7.397 -3.145 6.924 1.00 0.34 H new ATOM 0 HB2 TRP A 137 10.346 -3.867 6.554 1.00 0.37 H new ATOM 0 HB3 TRP A 137 9.495 -2.599 5.693 1.00 0.37 H new ATOM 0 HD1 TRP A 137 11.752 -2.869 8.424 1.00 0.38 H new ATOM 0 HE1 TRP A 137 11.524 -0.974 10.167 1.00 0.42 H new ATOM 0 HE3 TRP A 137 7.154 -1.093 7.076 1.00 0.49 H new ATOM 0 HZ2 TRP A 137 9.577 1.036 10.857 1.00 0.55 H new ATOM 0 HZ3 TRP A 137 6.138 0.811 8.295 1.00 0.59 H new ATOM 0 HH2 TRP A 137 7.342 1.872 10.183 1.00 0.63 H new ATOM 1590 N GLY A 138 7.507 -4.362 4.602 1.00 0.44 N ATOM 1591 CA GLY A 138 7.239 -5.269 3.450 1.00 0.49 C ATOM 1592 C GLY A 138 5.739 -5.561 3.370 1.00 0.50 C ATOM 1593 O GLY A 138 5.112 -5.360 2.350 1.00 0.80 O ATOM 0 H GLY A 138 7.319 -3.374 4.431 1.00 0.44 H new ATOM 0 HA2 GLY A 138 7.581 -4.808 2.523 1.00 0.49 H new ATOM 0 HA3 GLY A 138 7.796 -6.199 3.568 1.00 0.49 H new ATOM 1597 N ARG A 139 5.159 -6.032 4.440 1.00 0.42 N ATOM 1598 CA ARG A 139 3.699 -6.333 4.425 1.00 0.41 C ATOM 1599 C ARG A 139 2.905 -5.031 4.295 1.00 0.34 C ATOM 1600 O ARG A 139 1.785 -5.022 3.824 1.00 0.38 O ATOM 1601 CB ARG A 139 3.306 -7.033 5.728 1.00 0.53 C ATOM 1602 CG ARG A 139 4.055 -8.361 5.844 1.00 0.40 C ATOM 1603 CD ARG A 139 4.345 -8.652 7.317 1.00 0.78 C ATOM 1604 NE ARG A 139 5.730 -9.180 7.458 1.00 1.60 N ATOM 1605 CZ ARG A 139 6.120 -10.195 6.735 1.00 2.24 C ATOM 1606 NH1 ARG A 139 5.936 -11.412 7.167 1.00 2.91 N ATOM 1607 NH2 ARG A 139 6.693 -9.992 5.580 1.00 2.78 N ATOM 0 H ARG A 139 5.632 -6.221 5.323 1.00 0.42 H new ATOM 0 HA ARG A 139 3.477 -6.982 3.578 1.00 0.41 H new ATOM 0 HB2 ARG A 139 3.542 -6.396 6.580 1.00 0.53 H new ATOM 0 HB3 ARG A 139 2.230 -7.208 5.748 1.00 0.53 H new ATOM 0 HG2 ARG A 139 3.460 -9.166 5.413 1.00 0.40 H new ATOM 0 HG3 ARG A 139 4.987 -8.316 5.280 1.00 0.40 H new ATOM 0 HD2 ARG A 139 4.230 -7.743 7.907 1.00 0.78 H new ATOM 0 HD3 ARG A 139 3.628 -9.376 7.703 1.00 0.78 H new ATOM 0 HE ARG A 139 6.375 -8.748 8.120 1.00 1.60 H new ATOM 0 HH11 ARG A 139 5.488 -11.571 8.069 1.00 2.91 H new ATOM 0 HH12 ARG A 139 6.241 -12.205 6.602 1.00 2.91 H new ATOM 0 HH21 ARG A 139 6.836 -9.040 5.242 1.00 2.78 H new ATOM 0 HH22 ARG A 139 6.998 -10.785 5.015 1.00 2.78 H new ATOM 1621 N ILE A 140 3.471 -3.930 4.711 1.00 0.29 N ATOM 1622 CA ILE A 140 2.745 -2.633 4.613 1.00 0.27 C ATOM 1623 C ILE A 140 2.599 -2.232 3.142 1.00 0.24 C ATOM 1624 O ILE A 140 1.550 -1.797 2.710 1.00 0.26 O ATOM 1625 CB ILE A 140 3.532 -1.558 5.363 1.00 0.30 C ATOM 1626 CG1 ILE A 140 3.832 -2.045 6.783 1.00 0.35 C ATOM 1627 CG2 ILE A 140 2.707 -0.272 5.432 1.00 0.36 C ATOM 1628 CD1 ILE A 140 4.351 -0.879 7.625 1.00 0.48 C ATOM 0 H ILE A 140 4.406 -3.874 5.115 1.00 0.29 H new ATOM 0 HA ILE A 140 1.754 -2.736 5.055 1.00 0.27 H new ATOM 0 HB ILE A 140 4.467 -1.361 4.838 1.00 0.30 H new ATOM 0 HG12 ILE A 140 2.931 -2.460 7.234 1.00 0.35 H new ATOM 0 HG13 ILE A 140 4.572 -2.845 6.755 1.00 0.35 H new ATOM 0 HG21 ILE A 140 3.270 0.493 5.967 1.00 0.36 H new ATOM 0 HG22 ILE A 140 2.491 0.076 4.422 1.00 0.36 H new ATOM 0 HG23 ILE A 140 1.772 -0.468 5.956 1.00 0.36 H new ATOM 0 HD11 ILE A 140 4.564 -1.227 8.636 1.00 0.48 H new ATOM 0 HD12 ILE A 140 5.263 -0.484 7.177 1.00 0.48 H new ATOM 0 HD13 ILE A 140 3.596 -0.094 7.663 1.00 0.48 H new ATOM 1640 N VAL A 141 3.641 -2.374 2.369 1.00 0.25 N ATOM 1641 CA VAL A 141 3.554 -1.998 0.929 1.00 0.26 C ATOM 1642 C VAL A 141 2.626 -2.972 0.202 1.00 0.25 C ATOM 1643 O VAL A 141 1.784 -2.576 -0.579 1.00 0.26 O ATOM 1644 CB VAL A 141 4.946 -2.053 0.298 1.00 0.33 C ATOM 1645 CG1 VAL A 141 4.869 -1.560 -1.148 1.00 0.39 C ATOM 1646 CG2 VAL A 141 5.898 -1.154 1.090 1.00 0.37 C ATOM 0 H VAL A 141 4.547 -2.733 2.671 1.00 0.25 H new ATOM 0 HA VAL A 141 3.158 -0.986 0.844 1.00 0.26 H new ATOM 0 HB VAL A 141 5.313 -3.079 0.314 1.00 0.33 H new ATOM 0 HG11 VAL A 141 5.861 -1.599 -1.599 1.00 0.39 H new ATOM 0 HG12 VAL A 141 4.188 -2.196 -1.714 1.00 0.39 H new ATOM 0 HG13 VAL A 141 4.503 -0.533 -1.163 1.00 0.39 H new ATOM 0 HG21 VAL A 141 6.891 -1.192 0.642 1.00 0.37 H new ATOM 0 HG22 VAL A 141 5.530 -0.128 1.071 1.00 0.37 H new ATOM 0 HG23 VAL A 141 5.952 -1.501 2.122 1.00 0.37 H new ATOM 1656 N ALA A 142 2.769 -4.244 0.453 1.00 0.27 N ATOM 1657 CA ALA A 142 1.890 -5.239 -0.223 1.00 0.31 C ATOM 1658 C ALA A 142 0.433 -4.958 0.152 1.00 0.29 C ATOM 1659 O ALA A 142 -0.476 -5.222 -0.609 1.00 0.31 O ATOM 1660 CB ALA A 142 2.273 -6.649 0.231 1.00 0.36 C ATOM 0 H ALA A 142 3.456 -4.637 1.096 1.00 0.27 H new ATOM 0 HA ALA A 142 2.011 -5.163 -1.304 1.00 0.31 H new ATOM 0 HB1 ALA A 142 1.630 -7.378 -0.263 1.00 0.36 H new ATOM 0 HB2 ALA A 142 3.313 -6.846 -0.031 1.00 0.36 H new ATOM 0 HB3 ALA A 142 2.149 -6.730 1.311 1.00 0.36 H new ATOM 1666 N PHE A 143 0.207 -4.420 1.320 1.00 0.28 N ATOM 1667 CA PHE A 143 -1.187 -4.117 1.748 1.00 0.30 C ATOM 1668 C PHE A 143 -1.678 -2.861 1.022 1.00 0.28 C ATOM 1669 O PHE A 143 -2.854 -2.697 0.774 1.00 0.29 O ATOM 1670 CB PHE A 143 -1.212 -3.879 3.260 1.00 0.34 C ATOM 1671 CG PHE A 143 -2.509 -3.210 3.647 1.00 0.28 C ATOM 1672 CD1 PHE A 143 -3.669 -3.976 3.816 1.00 1.30 C ATOM 1673 CD2 PHE A 143 -2.551 -1.824 3.840 1.00 1.22 C ATOM 1674 CE1 PHE A 143 -4.871 -3.356 4.178 1.00 1.42 C ATOM 1675 CE2 PHE A 143 -3.753 -1.204 4.202 1.00 1.24 C ATOM 1676 CZ PHE A 143 -4.913 -1.970 4.370 1.00 0.68 C ATOM 0 H PHE A 143 0.930 -4.177 1.997 1.00 0.28 H new ATOM 0 HA PHE A 143 -1.838 -4.956 1.502 1.00 0.30 H new ATOM 0 HB2 PHE A 143 -1.108 -4.826 3.789 1.00 0.34 H new ATOM 0 HB3 PHE A 143 -0.368 -3.255 3.554 1.00 0.34 H new ATOM 0 HD1 PHE A 143 -3.636 -5.045 3.667 1.00 1.30 H new ATOM 0 HD2 PHE A 143 -1.656 -1.233 3.710 1.00 1.22 H new ATOM 0 HE1 PHE A 143 -5.765 -3.947 4.309 1.00 1.42 H new ATOM 0 HE2 PHE A 143 -3.785 -0.135 4.352 1.00 1.24 H new ATOM 0 HZ PHE A 143 -5.840 -1.491 4.648 1.00 0.68 H new ATOM 1686 N PHE A 144 -0.783 -1.974 0.680 1.00 0.27 N ATOM 1687 CA PHE A 144 -1.196 -0.730 -0.031 1.00 0.29 C ATOM 1688 C PHE A 144 -1.702 -1.084 -1.433 1.00 0.28 C ATOM 1689 O PHE A 144 -2.814 -0.763 -1.804 1.00 0.34 O ATOM 1690 CB PHE A 144 0.009 0.207 -0.155 1.00 0.32 C ATOM 1691 CG PHE A 144 -0.096 1.313 0.867 1.00 0.27 C ATOM 1692 CD1 PHE A 144 -0.919 2.418 0.622 1.00 1.18 C ATOM 1693 CD2 PHE A 144 0.637 1.236 2.058 1.00 1.18 C ATOM 1694 CE1 PHE A 144 -1.011 3.446 1.569 1.00 1.14 C ATOM 1695 CE2 PHE A 144 0.545 2.264 3.005 1.00 1.23 C ATOM 1696 CZ PHE A 144 -0.279 3.369 2.760 1.00 0.31 C ATOM 0 H PHE A 144 0.217 -2.057 0.862 1.00 0.27 H new ATOM 0 HA PHE A 144 -1.990 -0.239 0.531 1.00 0.29 H new ATOM 0 HB2 PHE A 144 0.933 -0.352 -0.006 1.00 0.32 H new ATOM 0 HB3 PHE A 144 0.051 0.630 -1.159 1.00 0.32 H new ATOM 0 HD1 PHE A 144 -1.483 2.478 -0.297 1.00 1.18 H new ATOM 0 HD2 PHE A 144 1.273 0.384 2.246 1.00 1.18 H new ATOM 0 HE1 PHE A 144 -1.647 4.298 1.380 1.00 1.14 H new ATOM 0 HE2 PHE A 144 1.109 2.204 3.924 1.00 1.23 H new ATOM 0 HZ PHE A 144 -0.350 4.162 3.490 1.00 0.31 H new ATOM 1706 N SER A 145 -0.888 -1.740 -2.216 1.00 0.29 N ATOM 1707 CA SER A 145 -1.311 -2.113 -3.597 1.00 0.33 C ATOM 1708 C SER A 145 -2.415 -3.172 -3.545 1.00 0.33 C ATOM 1709 O SER A 145 -3.219 -3.284 -4.450 1.00 0.36 O ATOM 1710 CB SER A 145 -0.109 -2.673 -4.360 1.00 0.38 C ATOM 1711 OG SER A 145 -0.134 -2.189 -5.696 1.00 0.61 O ATOM 0 H SER A 145 0.054 -2.034 -1.958 1.00 0.29 H new ATOM 0 HA SER A 145 -1.693 -1.226 -4.103 1.00 0.33 H new ATOM 0 HB2 SER A 145 0.818 -2.375 -3.870 1.00 0.38 H new ATOM 0 HB3 SER A 145 -0.136 -3.763 -4.355 1.00 0.38 H new ATOM 0 HG SER A 145 0.734 -2.354 -6.120 1.00 0.61 H new ATOM 1717 N PHE A 146 -2.463 -3.953 -2.501 1.00 0.36 N ATOM 1718 CA PHE A 146 -3.518 -5.002 -2.408 1.00 0.39 C ATOM 1719 C PHE A 146 -4.896 -4.341 -2.331 1.00 0.39 C ATOM 1720 O PHE A 146 -5.769 -4.606 -3.134 1.00 0.42 O ATOM 1721 CB PHE A 146 -3.290 -5.849 -1.154 1.00 0.41 C ATOM 1722 CG PHE A 146 -4.377 -6.892 -1.050 1.00 0.35 C ATOM 1723 CD1 PHE A 146 -4.742 -7.637 -2.178 1.00 1.26 C ATOM 1724 CD2 PHE A 146 -5.022 -7.112 0.173 1.00 1.24 C ATOM 1725 CE1 PHE A 146 -5.751 -8.602 -2.083 1.00 1.27 C ATOM 1726 CE2 PHE A 146 -6.032 -8.078 0.268 1.00 1.25 C ATOM 1727 CZ PHE A 146 -6.396 -8.822 -0.860 1.00 0.38 C ATOM 0 H PHE A 146 -1.820 -3.911 -1.711 1.00 0.36 H new ATOM 0 HA PHE A 146 -3.470 -5.639 -3.291 1.00 0.39 H new ATOM 0 HB2 PHE A 146 -2.313 -6.329 -1.199 1.00 0.41 H new ATOM 0 HB3 PHE A 146 -3.293 -5.215 -0.268 1.00 0.41 H new ATOM 0 HD1 PHE A 146 -4.245 -7.467 -3.121 1.00 1.26 H new ATOM 0 HD2 PHE A 146 -4.741 -6.537 1.043 1.00 1.24 H new ATOM 0 HE1 PHE A 146 -6.032 -9.177 -2.953 1.00 1.27 H new ATOM 0 HE2 PHE A 146 -6.530 -8.249 1.211 1.00 1.25 H new ATOM 0 HZ PHE A 146 -7.175 -9.566 -0.787 1.00 0.38 H new ATOM 1737 N GLY A 147 -5.099 -3.483 -1.371 1.00 0.44 N ATOM 1738 CA GLY A 147 -6.419 -2.805 -1.241 1.00 0.48 C ATOM 1739 C GLY A 147 -6.726 -2.032 -2.523 1.00 0.45 C ATOM 1740 O GLY A 147 -7.846 -2.015 -2.995 1.00 0.48 O ATOM 0 H GLY A 147 -4.407 -3.221 -0.669 1.00 0.44 H new ATOM 0 HA2 GLY A 147 -7.200 -3.541 -1.052 1.00 0.48 H new ATOM 0 HA3 GLY A 147 -6.408 -2.126 -0.388 1.00 0.48 H new ATOM 1744 N GLY A 148 -5.743 -1.390 -3.092 1.00 0.44 N ATOM 1745 CA GLY A 148 -5.985 -0.618 -4.344 1.00 0.45 C ATOM 1746 C GLY A 148 -6.502 -1.559 -5.434 1.00 0.38 C ATOM 1747 O GLY A 148 -7.290 -1.175 -6.275 1.00 0.40 O ATOM 0 H GLY A 148 -4.784 -1.366 -2.745 1.00 0.44 H new ATOM 0 HA2 GLY A 148 -6.710 0.175 -4.160 1.00 0.45 H new ATOM 0 HA3 GLY A 148 -5.063 -0.138 -4.671 1.00 0.45 H new ATOM 1751 N ALA A 149 -6.066 -2.789 -5.425 1.00 0.36 N ATOM 1752 CA ALA A 149 -6.536 -3.751 -6.461 1.00 0.35 C ATOM 1753 C ALA A 149 -8.021 -4.047 -6.241 1.00 0.28 C ATOM 1754 O ALA A 149 -8.814 -4.017 -7.161 1.00 0.33 O ATOM 1755 CB ALA A 149 -5.734 -5.050 -6.352 1.00 0.40 C ATOM 0 H ALA A 149 -5.406 -3.169 -4.746 1.00 0.36 H new ATOM 0 HA ALA A 149 -6.393 -3.320 -7.452 1.00 0.35 H new ATOM 0 HB1 ALA A 149 -6.077 -5.754 -7.110 1.00 0.40 H new ATOM 0 HB2 ALA A 149 -4.676 -4.838 -6.506 1.00 0.40 H new ATOM 0 HB3 ALA A 149 -5.877 -5.484 -5.362 1.00 0.40 H new ATOM 1761 N LEU A 150 -8.402 -4.333 -5.025 1.00 0.27 N ATOM 1762 CA LEU A 150 -9.835 -4.630 -4.744 1.00 0.29 C ATOM 1763 C LEU A 150 -10.695 -3.428 -5.143 1.00 0.27 C ATOM 1764 O LEU A 150 -11.841 -3.570 -5.521 1.00 0.31 O ATOM 1765 CB LEU A 150 -10.012 -4.910 -3.250 1.00 0.38 C ATOM 1766 CG LEU A 150 -9.679 -6.374 -2.964 1.00 0.41 C ATOM 1767 CD1 LEU A 150 -8.328 -6.462 -2.252 1.00 0.99 C ATOM 1768 CD2 LEU A 150 -10.765 -6.976 -2.071 1.00 0.89 C ATOM 0 H LEU A 150 -7.783 -4.374 -4.215 1.00 0.27 H new ATOM 0 HA LEU A 150 -10.145 -5.503 -5.318 1.00 0.29 H new ATOM 0 HB2 LEU A 150 -9.362 -4.257 -2.667 1.00 0.38 H new ATOM 0 HB3 LEU A 150 -11.036 -4.693 -2.947 1.00 0.38 H new ATOM 0 HG LEU A 150 -9.630 -6.926 -3.903 1.00 0.41 H new ATOM 0 HD11 LEU A 150 -8.091 -7.506 -2.048 1.00 0.99 H new ATOM 0 HD12 LEU A 150 -7.553 -6.031 -2.887 1.00 0.99 H new ATOM 0 HD13 LEU A 150 -8.375 -5.911 -1.313 1.00 0.99 H new ATOM 0 HD21 LEU A 150 -10.530 -8.020 -1.866 1.00 0.89 H new ATOM 0 HD22 LEU A 150 -10.812 -6.423 -1.133 1.00 0.89 H new ATOM 0 HD23 LEU A 150 -11.728 -6.914 -2.577 1.00 0.89 H new ATOM 1780 N CYS A 151 -10.150 -2.245 -5.062 1.00 0.29 N ATOM 1781 CA CYS A 151 -10.934 -1.033 -5.436 1.00 0.33 C ATOM 1782 C CYS A 151 -11.127 -0.997 -6.954 1.00 0.36 C ATOM 1783 O CYS A 151 -12.176 -0.631 -7.447 1.00 0.39 O ATOM 1784 CB CYS A 151 -10.179 0.221 -4.991 1.00 0.42 C ATOM 1785 SG CYS A 151 -9.681 0.043 -3.260 1.00 1.16 S ATOM 0 H CYS A 151 -9.195 -2.065 -4.753 1.00 0.29 H new ATOM 0 HA CYS A 151 -11.907 -1.066 -4.946 1.00 0.33 H new ATOM 0 HB2 CYS A 151 -9.301 0.372 -5.619 1.00 0.42 H new ATOM 0 HB3 CYS A 151 -10.812 1.101 -5.110 1.00 0.42 H new ATOM 0 HG CYS A 151 -8.623 -0.708 -3.188 1.00 1.16 H new ATOM 1791 N VAL A 152 -10.123 -1.372 -7.698 1.00 0.39 N ATOM 1792 CA VAL A 152 -10.250 -1.358 -9.182 1.00 0.45 C ATOM 1793 C VAL A 152 -11.328 -2.355 -9.611 1.00 0.45 C ATOM 1794 O VAL A 152 -12.357 -1.983 -10.141 1.00 0.54 O ATOM 1795 CB VAL A 152 -8.914 -1.754 -9.812 1.00 0.48 C ATOM 1796 CG1 VAL A 152 -9.162 -2.387 -11.182 1.00 0.64 C ATOM 1797 CG2 VAL A 152 -8.040 -0.508 -9.978 1.00 0.63 C ATOM 0 H VAL A 152 -9.221 -1.687 -7.342 1.00 0.39 H new ATOM 0 HA VAL A 152 -10.527 -0.357 -9.513 1.00 0.45 H new ATOM 0 HB VAL A 152 -8.408 -2.472 -9.167 1.00 0.48 H new ATOM 0 HG11 VAL A 152 -8.209 -2.669 -11.630 1.00 0.64 H new ATOM 0 HG12 VAL A 152 -9.785 -3.274 -11.066 1.00 0.64 H new ATOM 0 HG13 VAL A 152 -9.669 -1.670 -11.828 1.00 0.64 H new ATOM 0 HG21 VAL A 152 -7.087 -0.789 -10.427 1.00 0.63 H new ATOM 0 HG22 VAL A 152 -8.548 0.209 -10.623 1.00 0.63 H new ATOM 0 HG23 VAL A 152 -7.862 -0.056 -9.002 1.00 0.63 H new ATOM 1807 N GLU A 153 -11.101 -3.620 -9.385 1.00 0.43 N ATOM 1808 CA GLU A 153 -12.112 -4.641 -9.778 1.00 0.47 C ATOM 1809 C GLU A 153 -13.459 -4.314 -9.128 1.00 0.45 C ATOM 1810 O GLU A 153 -14.503 -4.680 -9.629 1.00 0.52 O ATOM 1811 CB GLU A 153 -11.645 -6.023 -9.314 1.00 0.47 C ATOM 1812 CG GLU A 153 -11.828 -7.032 -10.450 1.00 0.62 C ATOM 1813 CD GLU A 153 -12.495 -8.296 -9.906 1.00 1.49 C ATOM 1814 OE1 GLU A 153 -11.998 -8.831 -8.928 1.00 2.28 O ATOM 1815 OE2 GLU A 153 -13.491 -8.709 -10.477 1.00 2.21 O ATOM 0 H GLU A 153 -10.259 -3.990 -8.945 1.00 0.43 H new ATOM 0 HA GLU A 153 -12.226 -4.637 -10.862 1.00 0.47 H new ATOM 0 HB2 GLU A 153 -10.598 -5.983 -9.014 1.00 0.47 H new ATOM 0 HB3 GLU A 153 -12.215 -6.337 -8.440 1.00 0.47 H new ATOM 0 HG2 GLU A 153 -12.438 -6.598 -11.242 1.00 0.62 H new ATOM 0 HG3 GLU A 153 -10.862 -7.279 -10.891 1.00 0.62 H new ATOM 1822 N SER A 154 -13.448 -3.631 -8.015 1.00 0.41 N ATOM 1823 CA SER A 154 -14.731 -3.287 -7.339 1.00 0.42 C ATOM 1824 C SER A 154 -15.573 -2.397 -8.257 1.00 0.44 C ATOM 1825 O SER A 154 -16.731 -2.667 -8.506 1.00 0.54 O ATOM 1826 CB SER A 154 -14.437 -2.542 -6.037 1.00 0.41 C ATOM 1827 OG SER A 154 -14.303 -3.481 -4.979 1.00 1.08 O ATOM 0 H SER A 154 -12.606 -3.297 -7.545 1.00 0.41 H new ATOM 0 HA SER A 154 -15.281 -4.202 -7.119 1.00 0.42 H new ATOM 0 HB2 SER A 154 -13.523 -1.957 -6.138 1.00 0.41 H new ATOM 0 HB3 SER A 154 -15.241 -1.840 -5.816 1.00 0.41 H new ATOM 0 HG SER A 154 -13.369 -3.770 -4.915 1.00 1.08 H new ATOM 1833 N VAL A 155 -15.002 -1.337 -8.761 1.00 0.40 N ATOM 1834 CA VAL A 155 -15.773 -0.432 -9.661 1.00 0.45 C ATOM 1835 C VAL A 155 -16.186 -1.195 -10.921 1.00 0.48 C ATOM 1836 O VAL A 155 -17.275 -1.026 -11.431 1.00 0.52 O ATOM 1837 CB VAL A 155 -14.901 0.763 -10.049 1.00 0.47 C ATOM 1838 CG1 VAL A 155 -15.534 1.495 -11.233 1.00 0.56 C ATOM 1839 CG2 VAL A 155 -14.791 1.719 -8.859 1.00 0.45 C ATOM 0 H VAL A 155 -14.036 -1.059 -8.589 1.00 0.40 H new ATOM 0 HA VAL A 155 -16.665 -0.078 -9.144 1.00 0.45 H new ATOM 0 HB VAL A 155 -13.908 0.412 -10.329 1.00 0.47 H new ATOM 0 HG11 VAL A 155 -14.912 2.347 -11.509 1.00 0.56 H new ATOM 0 HG12 VAL A 155 -15.614 0.814 -12.081 1.00 0.56 H new ATOM 0 HG13 VAL A 155 -16.527 1.846 -10.954 1.00 0.56 H new ATOM 0 HG21 VAL A 155 -14.170 2.572 -9.133 1.00 0.45 H new ATOM 0 HG22 VAL A 155 -15.785 2.069 -8.580 1.00 0.45 H new ATOM 0 HG23 VAL A 155 -14.340 1.198 -8.014 1.00 0.45 H new ATOM 1849 N ASP A 156 -15.324 -2.033 -11.429 1.00 0.49 N ATOM 1850 CA ASP A 156 -15.670 -2.806 -12.656 1.00 0.53 C ATOM 1851 C ASP A 156 -16.828 -3.765 -12.357 1.00 0.56 C ATOM 1852 O ASP A 156 -17.555 -4.167 -13.243 1.00 0.59 O ATOM 1853 CB ASP A 156 -14.450 -3.608 -13.114 1.00 0.56 C ATOM 1854 CG ASP A 156 -14.760 -4.291 -14.448 1.00 0.88 C ATOM 1855 OD1 ASP A 156 -15.326 -5.371 -14.420 1.00 1.63 O ATOM 1856 OD2 ASP A 156 -14.425 -3.722 -15.474 1.00 1.30 O ATOM 0 H ASP A 156 -14.396 -2.216 -11.048 1.00 0.49 H new ATOM 0 HA ASP A 156 -15.970 -2.115 -13.443 1.00 0.53 H new ATOM 0 HB2 ASP A 156 -13.588 -2.949 -13.222 1.00 0.56 H new ATOM 0 HB3 ASP A 156 -14.189 -4.354 -12.363 1.00 0.56 H new ATOM 1861 N LYS A 157 -17.006 -4.136 -11.116 1.00 0.54 N ATOM 1862 CA LYS A 157 -18.117 -5.068 -10.769 1.00 0.58 C ATOM 1863 C LYS A 157 -19.327 -4.270 -10.277 1.00 0.58 C ATOM 1864 O LYS A 157 -20.132 -4.762 -9.510 1.00 0.60 O ATOM 1865 CB LYS A 157 -17.653 -6.014 -9.657 1.00 0.60 C ATOM 1866 CG LYS A 157 -18.147 -7.431 -9.950 1.00 0.86 C ATOM 1867 CD LYS A 157 -18.373 -8.177 -8.634 1.00 1.09 C ATOM 1868 CE LYS A 157 -18.043 -9.658 -8.824 1.00 1.14 C ATOM 1869 NZ LYS A 157 -18.788 -10.467 -7.818 1.00 1.79 N ATOM 0 H LYS A 157 -16.431 -3.834 -10.330 1.00 0.54 H new ATOM 0 HA LYS A 157 -18.396 -5.642 -11.653 1.00 0.58 H new ATOM 0 HB2 LYS A 157 -16.565 -6.004 -9.588 1.00 0.60 H new ATOM 0 HB3 LYS A 157 -18.037 -5.676 -8.694 1.00 0.60 H new ATOM 0 HG2 LYS A 157 -19.074 -7.393 -10.522 1.00 0.86 H new ATOM 0 HG3 LYS A 157 -17.417 -7.963 -10.561 1.00 0.86 H new ATOM 0 HD2 LYS A 157 -17.746 -7.752 -7.850 1.00 1.09 H new ATOM 0 HD3 LYS A 157 -19.408 -8.063 -8.312 1.00 1.09 H new ATOM 0 HE2 LYS A 157 -18.311 -9.975 -9.832 1.00 1.14 H new ATOM 0 HE3 LYS A 157 -16.971 -9.819 -8.714 1.00 1.14 H new ATOM 0 HZ1 LYS A 157 -19.036 -11.389 -8.229 1.00 1.79 H new ATOM 0 HZ2 LYS A 157 -18.192 -10.611 -6.978 1.00 1.79 H new ATOM 0 HZ3 LYS A 157 -19.657 -9.965 -7.544 1.00 1.79 H new ATOM 1883 N GLU A 158 -19.465 -3.043 -10.707 1.00 0.57 N ATOM 1884 CA GLU A 158 -20.625 -2.223 -10.255 1.00 0.59 C ATOM 1885 C GLU A 158 -20.654 -2.196 -8.726 1.00 0.56 C ATOM 1886 O GLU A 158 -21.659 -2.487 -8.108 1.00 0.64 O ATOM 1887 CB GLU A 158 -21.924 -2.838 -10.781 1.00 0.65 C ATOM 1888 CG GLU A 158 -21.764 -3.180 -12.264 1.00 1.08 C ATOM 1889 CD GLU A 158 -23.143 -3.248 -12.925 1.00 1.08 C ATOM 1890 OE1 GLU A 158 -24.081 -2.721 -12.350 1.00 1.54 O ATOM 1891 OE2 GLU A 158 -23.237 -3.825 -13.996 1.00 1.52 O ATOM 0 H GLU A 158 -18.826 -2.575 -11.350 1.00 0.57 H new ATOM 0 HA GLU A 158 -20.528 -1.207 -10.639 1.00 0.59 H new ATOM 0 HB2 GLU A 158 -22.169 -3.736 -10.214 1.00 0.65 H new ATOM 0 HB3 GLU A 158 -22.750 -2.140 -10.645 1.00 0.65 H new ATOM 0 HG2 GLU A 158 -21.149 -2.427 -12.757 1.00 1.08 H new ATOM 0 HG3 GLU A 158 -21.249 -4.134 -12.374 1.00 1.08 H new ATOM 1898 N MET A 159 -19.556 -1.853 -8.111 1.00 0.50 N ATOM 1899 CA MET A 159 -19.516 -1.812 -6.623 1.00 0.49 C ATOM 1900 C MET A 159 -18.916 -0.476 -6.167 1.00 0.46 C ATOM 1901 O MET A 159 -17.949 -0.427 -5.432 1.00 0.42 O ATOM 1902 CB MET A 159 -18.663 -2.982 -6.112 1.00 0.50 C ATOM 1903 CG MET A 159 -19.537 -3.961 -5.322 1.00 0.85 C ATOM 1904 SD MET A 159 -19.694 -5.508 -6.248 1.00 0.85 S ATOM 1905 CE MET A 159 -18.051 -6.166 -5.872 1.00 0.59 C ATOM 0 H MET A 159 -18.684 -1.599 -8.576 1.00 0.50 H new ATOM 0 HA MET A 159 -20.524 -1.901 -6.218 1.00 0.49 H new ATOM 0 HB2 MET A 159 -18.195 -3.496 -6.952 1.00 0.50 H new ATOM 0 HB3 MET A 159 -17.859 -2.607 -5.479 1.00 0.50 H new ATOM 0 HG2 MET A 159 -19.095 -4.153 -4.344 1.00 0.85 H new ATOM 0 HG3 MET A 159 -20.522 -3.527 -5.147 1.00 0.85 H new ATOM 0 HE1 MET A 159 -18.040 -7.241 -6.051 1.00 0.59 H new ATOM 0 HE2 MET A 159 -17.311 -5.684 -6.511 1.00 0.59 H new ATOM 0 HE3 MET A 159 -17.811 -5.969 -4.827 1.00 0.59 H new ATOM 1915 N GLN A 160 -19.486 0.615 -6.601 1.00 0.50 N ATOM 1916 CA GLN A 160 -18.952 1.945 -6.194 1.00 0.50 C ATOM 1917 C GLN A 160 -18.939 2.038 -4.666 1.00 0.49 C ATOM 1918 O GLN A 160 -17.959 2.436 -4.068 1.00 0.49 O ATOM 1919 CB GLN A 160 -19.841 3.050 -6.769 1.00 0.56 C ATOM 1920 CG GLN A 160 -19.805 2.987 -8.297 1.00 0.59 C ATOM 1921 CD GLN A 160 -20.827 3.969 -8.873 1.00 0.69 C ATOM 1922 OE1 GLN A 160 -21.756 4.364 -8.197 1.00 1.00 O ATOM 1923 NE2 GLN A 160 -20.695 4.382 -10.104 1.00 1.36 N ATOM 0 H GLN A 160 -20.297 0.643 -7.219 1.00 0.50 H new ATOM 0 HA GLN A 160 -17.938 2.065 -6.575 1.00 0.50 H new ATOM 0 HB2 GLN A 160 -20.864 2.931 -6.413 1.00 0.56 H new ATOM 0 HB3 GLN A 160 -19.496 4.025 -6.426 1.00 0.56 H new ATOM 0 HG2 GLN A 160 -18.806 3.232 -8.658 1.00 0.59 H new ATOM 0 HG3 GLN A 160 -20.027 1.975 -8.635 1.00 0.59 H new ATOM 0 HE21 GLN A 160 -19.915 4.051 -10.672 1.00 1.36 H new ATOM 0 HE22 GLN A 160 -21.371 5.036 -10.498 1.00 1.36 H new ATOM 1932 N VAL A 161 -20.019 1.673 -4.029 1.00 0.51 N ATOM 1933 CA VAL A 161 -20.060 1.740 -2.539 1.00 0.52 C ATOM 1934 C VAL A 161 -18.938 0.872 -1.965 1.00 0.48 C ATOM 1935 O VAL A 161 -18.389 1.157 -0.918 1.00 0.49 O ATOM 1936 CB VAL A 161 -21.415 1.234 -2.028 1.00 0.55 C ATOM 1937 CG1 VAL A 161 -21.806 -0.057 -2.755 1.00 0.53 C ATOM 1938 CG2 VAL A 161 -21.317 0.955 -0.526 1.00 0.56 C ATOM 0 H VAL A 161 -20.872 1.333 -4.473 1.00 0.51 H new ATOM 0 HA VAL A 161 -19.925 2.774 -2.220 1.00 0.52 H new ATOM 0 HB VAL A 161 -22.172 1.994 -2.218 1.00 0.55 H new ATOM 0 HG11 VAL A 161 -22.769 -0.406 -2.384 1.00 0.53 H new ATOM 0 HG12 VAL A 161 -21.878 0.136 -3.825 1.00 0.53 H new ATOM 0 HG13 VAL A 161 -21.049 -0.820 -2.574 1.00 0.53 H new ATOM 0 HG21 VAL A 161 -22.278 0.595 -0.159 1.00 0.56 H new ATOM 0 HG22 VAL A 161 -20.553 0.198 -0.346 1.00 0.56 H new ATOM 0 HG23 VAL A 161 -21.049 1.873 -0.002 1.00 0.56 H new ATOM 1948 N LEU A 162 -18.592 -0.187 -2.645 1.00 0.44 N ATOM 1949 CA LEU A 162 -17.507 -1.073 -2.144 1.00 0.40 C ATOM 1950 C LEU A 162 -16.187 -0.304 -2.144 1.00 0.37 C ATOM 1951 O LEU A 162 -15.369 -0.459 -1.263 1.00 0.36 O ATOM 1952 CB LEU A 162 -17.383 -2.293 -3.057 1.00 0.40 C ATOM 1953 CG LEU A 162 -16.966 -3.510 -2.233 1.00 0.68 C ATOM 1954 CD1 LEU A 162 -15.711 -3.177 -1.430 1.00 1.56 C ATOM 1955 CD2 LEU A 162 -18.093 -3.882 -1.272 1.00 0.48 C ATOM 0 H LEU A 162 -19.015 -0.476 -3.527 1.00 0.44 H new ATOM 0 HA LEU A 162 -17.741 -1.399 -1.131 1.00 0.40 H new ATOM 0 HB2 LEU A 162 -18.334 -2.486 -3.554 1.00 0.40 H new ATOM 0 HB3 LEU A 162 -16.648 -2.101 -3.839 1.00 0.40 H new ATOM 0 HG LEU A 162 -16.761 -4.346 -2.901 1.00 0.68 H new ATOM 0 HD11 LEU A 162 -15.414 -4.046 -0.842 1.00 1.56 H new ATOM 0 HD12 LEU A 162 -14.904 -2.907 -2.111 1.00 1.56 H new ATOM 0 HD13 LEU A 162 -15.918 -2.341 -0.762 1.00 1.56 H new ATOM 0 HD21 LEU A 162 -17.797 -4.750 -0.683 1.00 0.48 H new ATOM 0 HD22 LEU A 162 -18.295 -3.043 -0.606 1.00 0.48 H new ATOM 0 HD23 LEU A 162 -18.993 -4.118 -1.840 1.00 0.48 H new ATOM 1967 N VAL A 163 -15.976 0.526 -3.128 1.00 0.37 N ATOM 1968 CA VAL A 163 -14.708 1.307 -3.187 1.00 0.35 C ATOM 1969 C VAL A 163 -14.541 2.109 -1.895 1.00 0.34 C ATOM 1970 O VAL A 163 -13.570 1.957 -1.180 1.00 0.31 O ATOM 1971 CB VAL A 163 -14.760 2.266 -4.376 1.00 0.36 C ATOM 1972 CG1 VAL A 163 -13.397 2.935 -4.554 1.00 0.36 C ATOM 1973 CG2 VAL A 163 -15.114 1.482 -5.639 1.00 0.39 C ATOM 0 H VAL A 163 -16.627 0.697 -3.894 1.00 0.37 H new ATOM 0 HA VAL A 163 -13.865 0.625 -3.302 1.00 0.35 H new ATOM 0 HB VAL A 163 -15.515 3.031 -4.196 1.00 0.36 H new ATOM 0 HG11 VAL A 163 -13.435 3.619 -5.402 1.00 0.36 H new ATOM 0 HG12 VAL A 163 -13.144 3.491 -3.651 1.00 0.36 H new ATOM 0 HG13 VAL A 163 -12.639 2.173 -4.736 1.00 0.36 H new ATOM 0 HG21 VAL A 163 -15.152 2.162 -6.490 1.00 0.39 H new ATOM 0 HG22 VAL A 163 -14.357 0.719 -5.818 1.00 0.39 H new ATOM 0 HG23 VAL A 163 -16.086 1.006 -5.511 1.00 0.39 H new ATOM 1983 N SER A 164 -15.481 2.962 -1.591 1.00 0.37 N ATOM 1984 CA SER A 164 -15.377 3.774 -0.347 1.00 0.37 C ATOM 1985 C SER A 164 -15.179 2.847 0.853 1.00 0.36 C ATOM 1986 O SER A 164 -14.526 3.194 1.818 1.00 0.36 O ATOM 1987 CB SER A 164 -16.660 4.583 -0.158 1.00 0.40 C ATOM 1988 OG SER A 164 -16.611 5.256 1.093 1.00 1.00 O ATOM 0 H SER A 164 -16.317 3.131 -2.151 1.00 0.37 H new ATOM 0 HA SER A 164 -14.527 4.452 -0.427 1.00 0.37 H new ATOM 0 HB2 SER A 164 -16.771 5.304 -0.968 1.00 0.40 H new ATOM 0 HB3 SER A 164 -17.528 3.924 -0.196 1.00 0.40 H new ATOM 0 HG SER A 164 -17.432 5.777 1.217 1.00 1.00 H new ATOM 1994 N ARG A 165 -15.738 1.669 0.803 1.00 0.37 N ATOM 1995 CA ARG A 165 -15.582 0.722 1.941 1.00 0.38 C ATOM 1996 C ARG A 165 -14.098 0.425 2.170 1.00 0.34 C ATOM 1997 O ARG A 165 -13.595 0.533 3.272 1.00 0.37 O ATOM 1998 CB ARG A 165 -16.318 -0.577 1.621 1.00 0.42 C ATOM 1999 CG ARG A 165 -17.447 -0.767 2.630 1.00 0.46 C ATOM 2000 CD ARG A 165 -18.710 -0.084 2.113 1.00 0.66 C ATOM 2001 NE ARG A 165 -18.902 1.213 2.822 1.00 1.71 N ATOM 2002 CZ ARG A 165 -19.920 1.374 3.624 1.00 1.96 C ATOM 2003 NH1 ARG A 165 -20.193 0.469 4.523 1.00 2.46 N ATOM 2004 NH2 ARG A 165 -20.665 2.442 3.526 1.00 2.44 N ATOM 0 H ARG A 165 -16.296 1.322 0.023 1.00 0.37 H new ATOM 0 HA ARG A 165 -16.001 1.169 2.843 1.00 0.38 H new ATOM 0 HB2 ARG A 165 -16.719 -0.543 0.608 1.00 0.42 H new ATOM 0 HB3 ARG A 165 -15.629 -1.421 1.663 1.00 0.42 H new ATOM 0 HG2 ARG A 165 -17.633 -1.829 2.788 1.00 0.46 H new ATOM 0 HG3 ARG A 165 -17.162 -0.347 3.595 1.00 0.46 H new ATOM 0 HD2 ARG A 165 -18.631 0.085 1.039 1.00 0.66 H new ATOM 0 HD3 ARG A 165 -19.575 -0.728 2.271 1.00 0.66 H new ATOM 0 HE ARG A 165 -18.238 1.975 2.681 1.00 1.71 H new ATOM 0 HH11 ARG A 165 -19.611 -0.365 4.600 1.00 2.46 H new ATOM 0 HH12 ARG A 165 -20.988 0.596 5.149 1.00 2.46 H new ATOM 0 HH21 ARG A 165 -20.452 3.150 2.823 1.00 2.44 H new ATOM 0 HH22 ARG A 165 -21.460 2.568 4.152 1.00 2.44 H new ATOM 2018 N ILE A 166 -13.394 0.049 1.139 1.00 0.36 N ATOM 2019 CA ILE A 166 -11.945 -0.257 1.294 1.00 0.35 C ATOM 2020 C ILE A 166 -11.168 1.024 1.614 1.00 0.34 C ATOM 2021 O ILE A 166 -10.069 0.974 2.127 1.00 0.34 O ATOM 2022 CB ILE A 166 -11.413 -0.868 -0.003 1.00 0.37 C ATOM 2023 CG1 ILE A 166 -12.068 -2.234 -0.225 1.00 0.45 C ATOM 2024 CG2 ILE A 166 -9.896 -1.042 0.096 1.00 0.38 C ATOM 2025 CD1 ILE A 166 -11.794 -2.709 -1.653 1.00 0.52 C ATOM 0 H ILE A 166 -13.761 -0.060 0.193 1.00 0.36 H new ATOM 0 HA ILE A 166 -11.815 -0.964 2.113 1.00 0.35 H new ATOM 0 HB ILE A 166 -11.648 -0.208 -0.838 1.00 0.37 H new ATOM 0 HG12 ILE A 166 -11.676 -2.957 0.491 1.00 0.45 H new ATOM 0 HG13 ILE A 166 -13.142 -2.166 -0.054 1.00 0.45 H new ATOM 0 HG21 ILE A 166 -9.519 -1.478 -0.829 1.00 0.38 H new ATOM 0 HG22 ILE A 166 -9.428 -0.071 0.257 1.00 0.38 H new ATOM 0 HG23 ILE A 166 -9.659 -1.702 0.931 1.00 0.38 H new ATOM 0 HD11 ILE A 166 -12.261 -3.681 -1.809 1.00 0.52 H new ATOM 0 HD12 ILE A 166 -12.207 -1.990 -2.361 1.00 0.52 H new ATOM 0 HD13 ILE A 166 -10.718 -2.794 -1.808 1.00 0.52 H new ATOM 2037 N ALA A 167 -11.720 2.173 1.320 1.00 0.36 N ATOM 2038 CA ALA A 167 -10.993 3.439 1.620 1.00 0.37 C ATOM 2039 C ALA A 167 -10.962 3.656 3.134 1.00 0.37 C ATOM 2040 O ALA A 167 -9.982 4.115 3.685 1.00 0.40 O ATOM 2041 CB ALA A 167 -11.709 4.615 0.950 1.00 0.39 C ATOM 0 H ALA A 167 -12.637 2.288 0.888 1.00 0.36 H new ATOM 0 HA ALA A 167 -9.974 3.373 1.238 1.00 0.37 H new ATOM 0 HB1 ALA A 167 -11.175 5.539 1.171 1.00 0.39 H new ATOM 0 HB2 ALA A 167 -11.734 4.459 -0.129 1.00 0.39 H new ATOM 0 HB3 ALA A 167 -12.728 4.685 1.330 1.00 0.39 H new ATOM 2047 N ALA A 168 -12.029 3.328 3.812 1.00 0.35 N ATOM 2048 CA ALA A 168 -12.059 3.514 5.290 1.00 0.36 C ATOM 2049 C ALA A 168 -11.276 2.383 5.962 1.00 0.36 C ATOM 2050 O ALA A 168 -10.706 2.554 7.021 1.00 0.37 O ATOM 2051 CB ALA A 168 -13.508 3.490 5.780 1.00 0.38 C ATOM 0 H ALA A 168 -12.880 2.940 3.406 1.00 0.35 H new ATOM 0 HA ALA A 168 -11.606 4.472 5.544 1.00 0.36 H new ATOM 0 HB1 ALA A 168 -13.529 3.626 6.861 1.00 0.38 H new ATOM 0 HB2 ALA A 168 -14.067 4.295 5.302 1.00 0.38 H new ATOM 0 HB3 ALA A 168 -13.962 2.532 5.526 1.00 0.38 H new ATOM 2057 N TRP A 169 -11.244 1.228 5.355 1.00 0.35 N ATOM 2058 CA TRP A 169 -10.499 0.087 5.959 1.00 0.35 C ATOM 2059 C TRP A 169 -8.993 0.295 5.776 1.00 0.35 C ATOM 2060 O TRP A 169 -8.192 -0.195 6.545 1.00 0.35 O ATOM 2061 CB TRP A 169 -10.916 -1.213 5.270 1.00 0.37 C ATOM 2062 CG TRP A 169 -12.404 -1.331 5.293 1.00 0.37 C ATOM 2063 CD1 TRP A 169 -13.222 -0.661 6.136 1.00 0.38 C ATOM 2064 CD2 TRP A 169 -13.265 -2.153 4.453 1.00 0.37 C ATOM 2065 NE1 TRP A 169 -14.532 -1.019 5.867 1.00 0.41 N ATOM 2066 CE2 TRP A 169 -14.609 -1.937 4.837 1.00 0.40 C ATOM 2067 CE3 TRP A 169 -13.011 -3.056 3.405 1.00 0.38 C ATOM 2068 CZ2 TRP A 169 -15.665 -2.594 4.204 1.00 0.42 C ATOM 2069 CZ3 TRP A 169 -14.071 -3.719 2.766 1.00 0.39 C ATOM 2070 CH2 TRP A 169 -15.395 -3.488 3.164 1.00 0.41 C ATOM 0 H TRP A 169 -11.702 1.025 4.466 1.00 0.35 H new ATOM 0 HA TRP A 169 -10.729 0.031 7.023 1.00 0.35 H new ATOM 0 HB2 TRP A 169 -10.555 -1.224 4.242 1.00 0.37 H new ATOM 0 HB3 TRP A 169 -10.465 -2.067 5.776 1.00 0.37 H new ATOM 0 HD1 TRP A 169 -12.905 0.039 6.895 1.00 0.38 H new ATOM 0 HE1 TRP A 169 -15.341 -0.651 6.367 1.00 0.41 H new ATOM 0 HE3 TRP A 169 -11.995 -3.241 3.090 1.00 0.38 H new ATOM 0 HZ2 TRP A 169 -16.683 -2.413 4.515 1.00 0.42 H new ATOM 0 HZ3 TRP A 169 -13.865 -4.411 1.963 1.00 0.39 H new ATOM 0 HH2 TRP A 169 -16.206 -4.000 2.668 1.00 0.41 H new ATOM 2081 N MET A 170 -8.601 1.017 4.761 1.00 0.36 N ATOM 2082 CA MET A 170 -7.149 1.251 4.531 1.00 0.36 C ATOM 2083 C MET A 170 -6.664 2.380 5.442 1.00 0.36 C ATOM 2084 O MET A 170 -5.660 2.256 6.113 1.00 0.36 O ATOM 2085 CB MET A 170 -6.921 1.636 3.068 1.00 0.39 C ATOM 2086 CG MET A 170 -6.782 0.369 2.223 1.00 0.66 C ATOM 2087 SD MET A 170 -5.091 0.248 1.589 1.00 1.17 S ATOM 2088 CE MET A 170 -5.298 1.355 0.173 1.00 0.73 C ATOM 0 H MET A 170 -9.224 1.454 4.082 1.00 0.36 H new ATOM 0 HA MET A 170 -6.592 0.341 4.756 1.00 0.36 H new ATOM 0 HB2 MET A 170 -7.754 2.238 2.705 1.00 0.39 H new ATOM 0 HB3 MET A 170 -6.023 2.247 2.977 1.00 0.39 H new ATOM 0 HG2 MET A 170 -7.020 -0.509 2.823 1.00 0.66 H new ATOM 0 HG3 MET A 170 -7.491 0.391 1.396 1.00 0.66 H new ATOM 0 HE1 MET A 170 -4.952 0.856 -0.732 1.00 0.73 H new ATOM 0 HE2 MET A 170 -6.351 1.614 0.065 1.00 0.73 H new ATOM 0 HE3 MET A 170 -4.715 2.262 0.332 1.00 0.73 H new ATOM 2098 N ALA A 171 -7.367 3.479 5.473 1.00 0.39 N ATOM 2099 CA ALA A 171 -6.941 4.610 6.346 1.00 0.40 C ATOM 2100 C ALA A 171 -7.130 4.229 7.816 1.00 0.40 C ATOM 2101 O ALA A 171 -6.484 4.771 8.689 1.00 0.41 O ATOM 2102 CB ALA A 171 -7.780 5.849 6.025 1.00 0.43 C ATOM 0 H ALA A 171 -8.216 3.643 4.933 1.00 0.39 H new ATOM 0 HA ALA A 171 -5.889 4.828 6.164 1.00 0.40 H new ATOM 0 HB1 ALA A 171 -7.468 6.675 6.664 1.00 0.43 H new ATOM 0 HB2 ALA A 171 -7.637 6.124 4.980 1.00 0.43 H new ATOM 0 HB3 ALA A 171 -8.833 5.631 6.202 1.00 0.43 H new ATOM 2108 N THR A 172 -8.005 3.303 8.101 1.00 0.41 N ATOM 2109 CA THR A 172 -8.217 2.901 9.519 1.00 0.43 C ATOM 2110 C THR A 172 -7.079 1.974 9.950 1.00 0.42 C ATOM 2111 O THR A 172 -6.381 2.234 10.912 1.00 0.45 O ATOM 2112 CB THR A 172 -9.556 2.170 9.653 1.00 0.46 C ATOM 2113 OG1 THR A 172 -10.616 3.114 9.596 1.00 0.53 O ATOM 2114 CG2 THR A 172 -9.599 1.432 10.992 1.00 0.52 C ATOM 0 H THR A 172 -8.579 2.810 7.417 1.00 0.41 H new ATOM 0 HA THR A 172 -8.230 3.787 10.154 1.00 0.43 H new ATOM 0 HB THR A 172 -9.665 1.453 8.840 1.00 0.46 H new ATOM 0 HG1 THR A 172 -10.954 3.171 8.678 1.00 0.53 H new ATOM 0 HG21 THR A 172 -10.551 0.911 11.090 1.00 0.52 H new ATOM 0 HG22 THR A 172 -8.784 0.710 11.036 1.00 0.52 H new ATOM 0 HG23 THR A 172 -9.493 2.149 11.806 1.00 0.52 H new ATOM 2122 N TYR A 173 -6.883 0.894 9.243 1.00 0.42 N ATOM 2123 CA TYR A 173 -5.789 -0.048 9.610 1.00 0.42 C ATOM 2124 C TYR A 173 -4.464 0.716 9.673 1.00 0.40 C ATOM 2125 O TYR A 173 -3.590 0.398 10.452 1.00 0.42 O ATOM 2126 CB TYR A 173 -5.691 -1.153 8.555 1.00 0.44 C ATOM 2127 CG TYR A 173 -4.823 -2.271 9.079 1.00 0.44 C ATOM 2128 CD1 TYR A 173 -5.107 -2.857 10.319 1.00 1.25 C ATOM 2129 CD2 TYR A 173 -3.735 -2.724 8.323 1.00 1.32 C ATOM 2130 CE1 TYR A 173 -4.301 -3.894 10.803 1.00 1.24 C ATOM 2131 CE2 TYR A 173 -2.930 -3.761 8.807 1.00 1.35 C ATOM 2132 CZ TYR A 173 -3.213 -4.346 10.047 1.00 0.49 C ATOM 2133 OH TYR A 173 -2.420 -5.369 10.524 1.00 0.54 O ATOM 0 H TYR A 173 -7.433 0.624 8.428 1.00 0.42 H new ATOM 0 HA TYR A 173 -6.001 -0.493 10.582 1.00 0.42 H new ATOM 0 HB2 TYR A 173 -6.685 -1.531 8.315 1.00 0.44 H new ATOM 0 HB3 TYR A 173 -5.271 -0.754 7.632 1.00 0.44 H new ATOM 0 HD1 TYR A 173 -5.947 -2.509 10.901 1.00 1.25 H new ATOM 0 HD2 TYR A 173 -3.517 -2.273 7.366 1.00 1.32 H new ATOM 0 HE1 TYR A 173 -4.519 -4.345 11.760 1.00 1.24 H new ATOM 0 HE2 TYR A 173 -2.090 -4.110 8.224 1.00 1.35 H new ATOM 0 HH TYR A 173 -1.668 -4.993 11.027 1.00 0.54 H new ATOM 2143 N LEU A 174 -4.313 1.724 8.857 1.00 0.39 N ATOM 2144 CA LEU A 174 -3.049 2.512 8.868 1.00 0.38 C ATOM 2145 C LEU A 174 -3.014 3.396 10.115 1.00 0.39 C ATOM 2146 O LEU A 174 -1.980 3.589 10.724 1.00 0.40 O ATOM 2147 CB LEU A 174 -2.994 3.400 7.621 1.00 0.39 C ATOM 2148 CG LEU A 174 -1.621 3.277 6.957 1.00 0.47 C ATOM 2149 CD1 LEU A 174 -1.787 3.299 5.435 1.00 0.81 C ATOM 2150 CD2 LEU A 174 -0.741 4.453 7.387 1.00 0.74 C ATOM 0 H LEU A 174 -5.012 2.036 8.183 1.00 0.39 H new ATOM 0 HA LEU A 174 -2.196 1.833 8.874 1.00 0.38 H new ATOM 0 HB2 LEU A 174 -3.775 3.106 6.920 1.00 0.39 H new ATOM 0 HB3 LEU A 174 -3.184 4.438 7.894 1.00 0.39 H new ATOM 0 HG LEU A 174 -1.153 2.340 7.260 1.00 0.47 H new ATOM 0 HD11 LEU A 174 -0.809 3.211 4.961 1.00 0.81 H new ATOM 0 HD12 LEU A 174 -2.416 2.465 5.126 1.00 0.81 H new ATOM 0 HD13 LEU A 174 -2.254 4.237 5.133 1.00 0.81 H new ATOM 0 HD21 LEU A 174 0.238 4.367 6.915 1.00 0.74 H new ATOM 0 HD22 LEU A 174 -1.210 5.389 7.082 1.00 0.74 H new ATOM 0 HD23 LEU A 174 -0.623 4.442 8.471 1.00 0.74 H new ATOM 2162 N ASN A 175 -4.137 3.940 10.496 1.00 0.41 N ATOM 2163 CA ASN A 175 -4.170 4.819 11.700 1.00 0.43 C ATOM 2164 C ASN A 175 -4.522 4.016 12.960 1.00 0.45 C ATOM 2165 O ASN A 175 -4.798 4.585 13.997 1.00 0.49 O ATOM 2166 CB ASN A 175 -5.223 5.908 11.497 1.00 0.46 C ATOM 2167 CG ASN A 175 -4.537 7.272 11.412 1.00 0.49 C ATOM 2168 OD1 ASN A 175 -3.407 7.371 10.978 1.00 0.88 O ATOM 2169 ND2 ASN A 175 -5.177 8.337 11.812 1.00 1.15 N ATOM 0 H ASN A 175 -5.033 3.814 10.026 1.00 0.41 H new ATOM 0 HA ASN A 175 -3.182 5.260 11.832 1.00 0.43 H new ATOM 0 HB2 ASN A 175 -5.789 5.716 10.585 1.00 0.46 H new ATOM 0 HB3 ASN A 175 -5.935 5.898 12.322 1.00 0.46 H new ATOM 0 HD21 ASN A 175 -4.728 9.251 11.760 1.00 1.15 H new ATOM 0 HD22 ASN A 175 -6.126 8.255 12.177 1.00 1.15 H new ATOM 2176 N ASP A 176 -4.522 2.709 12.895 1.00 0.45 N ATOM 2177 CA ASP A 176 -4.866 1.915 14.113 1.00 0.50 C ATOM 2178 C ASP A 176 -3.724 0.959 14.477 1.00 0.49 C ATOM 2179 O ASP A 176 -3.050 1.141 15.470 1.00 0.51 O ATOM 2180 CB ASP A 176 -6.139 1.106 13.852 1.00 0.52 C ATOM 2181 CG ASP A 176 -7.336 1.816 14.486 1.00 0.77 C ATOM 2182 OD1 ASP A 176 -7.181 2.337 15.579 1.00 1.44 O ATOM 2183 OD2 ASP A 176 -8.388 1.827 13.868 1.00 1.32 O ATOM 0 H ASP A 176 -4.302 2.163 12.062 1.00 0.45 H new ATOM 0 HA ASP A 176 -5.025 2.603 14.943 1.00 0.50 H new ATOM 0 HB2 ASP A 176 -6.297 0.993 12.779 1.00 0.52 H new ATOM 0 HB3 ASP A 176 -6.036 0.103 14.267 1.00 0.52 H new ATOM 2188 N HIS A 177 -3.508 -0.062 13.694 1.00 0.49 N ATOM 2189 CA HIS A 177 -2.414 -1.028 14.015 1.00 0.51 C ATOM 2190 C HIS A 177 -1.066 -0.489 13.529 1.00 0.48 C ATOM 2191 O HIS A 177 -0.070 -0.572 14.221 1.00 0.51 O ATOM 2192 CB HIS A 177 -2.701 -2.365 13.328 1.00 0.55 C ATOM 2193 CG HIS A 177 -3.881 -3.025 13.985 1.00 0.68 C ATOM 2194 ND1 HIS A 177 -3.734 -3.989 14.970 1.00 0.91 N ATOM 2195 CD2 HIS A 177 -5.234 -2.871 13.809 1.00 0.76 C ATOM 2196 CE1 HIS A 177 -4.967 -4.375 15.346 1.00 1.04 C ATOM 2197 NE2 HIS A 177 -5.918 -3.724 14.670 1.00 0.96 N ATOM 0 H HIS A 177 -4.038 -0.271 12.848 1.00 0.49 H new ATOM 0 HA HIS A 177 -2.371 -1.165 15.095 1.00 0.51 H new ATOM 0 HB2 HIS A 177 -2.904 -2.205 12.269 1.00 0.55 H new ATOM 0 HB3 HIS A 177 -1.827 -3.013 13.391 1.00 0.55 H new ATOM 0 HD2 HIS A 177 -5.697 -2.191 13.109 1.00 0.76 H new ATOM 0 HE1 HIS A 177 -5.164 -5.120 16.102 1.00 1.04 H new ATOM 0 HE2 HIS A 177 -6.928 -3.830 14.765 1.00 0.96 H new ATOM 2205 N LEU A 178 -1.023 0.056 12.348 1.00 0.45 N ATOM 2206 CA LEU A 178 0.264 0.595 11.822 1.00 0.43 C ATOM 2207 C LEU A 178 0.564 1.972 12.439 1.00 0.46 C ATOM 2208 O LEU A 178 1.622 2.532 12.229 1.00 0.67 O ATOM 2209 CB LEU A 178 0.162 0.729 10.302 1.00 0.42 C ATOM 2210 CG LEU A 178 -0.074 -0.648 9.681 1.00 0.52 C ATOM 2211 CD1 LEU A 178 -1.131 -0.539 8.582 1.00 0.71 C ATOM 2212 CD2 LEU A 178 1.234 -1.165 9.078 1.00 1.11 C ATOM 0 H LEU A 178 -1.822 0.153 11.722 1.00 0.45 H new ATOM 0 HA LEU A 178 1.072 -0.088 12.086 1.00 0.43 H new ATOM 0 HB2 LEU A 178 -0.654 1.402 10.040 1.00 0.42 H new ATOM 0 HB3 LEU A 178 1.077 1.167 9.903 1.00 0.42 H new ATOM 0 HG LEU A 178 -0.420 -1.338 10.450 1.00 0.52 H new ATOM 0 HD11 LEU A 178 -1.299 -1.521 8.140 1.00 0.71 H new ATOM 0 HD12 LEU A 178 -2.063 -0.169 9.009 1.00 0.71 H new ATOM 0 HD13 LEU A 178 -0.786 0.151 7.812 1.00 0.71 H new ATOM 0 HD21 LEU A 178 1.067 -2.147 8.635 1.00 1.11 H new ATOM 0 HD22 LEU A 178 1.578 -0.474 8.309 1.00 1.11 H new ATOM 0 HD23 LEU A 178 1.989 -1.243 9.860 1.00 1.11 H new ATOM 2224 N GLU A 179 -0.350 2.525 13.194 1.00 0.50 N ATOM 2225 CA GLU A 179 -0.108 3.859 13.811 1.00 0.54 C ATOM 2226 C GLU A 179 0.914 3.777 14.960 1.00 0.57 C ATOM 2227 O GLU A 179 1.893 4.497 14.946 1.00 0.58 O ATOM 2228 CB GLU A 179 -1.429 4.422 14.343 1.00 0.58 C ATOM 2229 CG GLU A 179 -1.570 5.876 13.896 1.00 0.86 C ATOM 2230 CD GLU A 179 -2.861 6.465 14.465 1.00 0.98 C ATOM 2231 OE1 GLU A 179 -3.330 5.956 15.470 1.00 1.66 O ATOM 2232 OE2 GLU A 179 -3.361 7.416 13.887 1.00 1.61 O ATOM 0 H GLU A 179 -1.255 2.107 13.409 1.00 0.50 H new ATOM 0 HA GLU A 179 0.301 4.516 13.043 1.00 0.54 H new ATOM 0 HB2 GLU A 179 -2.266 3.832 13.971 1.00 0.58 H new ATOM 0 HB3 GLU A 179 -1.453 4.359 15.431 1.00 0.58 H new ATOM 0 HG2 GLU A 179 -0.713 6.456 14.237 1.00 0.86 H new ATOM 0 HG3 GLU A 179 -1.581 5.933 12.808 1.00 0.86 H new ATOM 2239 N PRO A 180 0.669 2.922 15.931 1.00 0.61 N ATOM 2240 CA PRO A 180 1.568 2.771 17.085 1.00 0.67 C ATOM 2241 C PRO A 180 2.885 2.080 16.698 1.00 0.65 C ATOM 2242 O PRO A 180 3.782 1.965 17.510 1.00 0.91 O ATOM 2243 CB PRO A 180 0.806 1.929 18.101 1.00 0.75 C ATOM 2244 CG PRO A 180 -0.194 1.143 17.222 1.00 0.72 C ATOM 2245 CD PRO A 180 -0.510 2.023 15.988 1.00 0.65 C ATOM 0 HA PRO A 180 1.844 3.746 17.486 1.00 0.67 H new ATOM 0 HB2 PRO A 180 1.470 1.262 18.652 1.00 0.75 H new ATOM 0 HB3 PRO A 180 0.295 2.550 18.837 1.00 0.75 H new ATOM 0 HG2 PRO A 180 0.232 0.188 16.914 1.00 0.72 H new ATOM 0 HG3 PRO A 180 -1.104 0.921 17.779 1.00 0.72 H new ATOM 0 HD2 PRO A 180 -0.613 1.429 15.080 1.00 0.65 H new ATOM 0 HD3 PRO A 180 -1.440 2.579 16.112 1.00 0.65 H new ATOM 2253 N TRP A 181 3.025 1.621 15.481 1.00 0.50 N ATOM 2254 CA TRP A 181 4.301 0.950 15.096 1.00 0.48 C ATOM 2255 C TRP A 181 5.103 1.852 14.152 1.00 0.50 C ATOM 2256 O TRP A 181 6.312 1.766 14.082 1.00 0.77 O ATOM 2257 CB TRP A 181 4.004 -0.379 14.399 1.00 0.47 C ATOM 2258 CG TRP A 181 5.217 -1.249 14.481 1.00 0.66 C ATOM 2259 CD1 TRP A 181 5.625 -1.911 15.588 1.00 1.85 C ATOM 2260 CD2 TRP A 181 6.190 -1.557 13.441 1.00 0.51 C ATOM 2261 NE1 TRP A 181 6.786 -2.602 15.294 1.00 1.97 N ATOM 2262 CE2 TRP A 181 7.173 -2.417 13.983 1.00 0.85 C ATOM 2263 CE3 TRP A 181 6.313 -1.177 12.093 1.00 1.66 C ATOM 2264 CZ2 TRP A 181 8.242 -2.882 13.216 1.00 0.66 C ATOM 2265 CZ3 TRP A 181 7.386 -1.645 11.317 1.00 2.08 C ATOM 2266 CH2 TRP A 181 8.348 -2.496 11.878 1.00 1.24 C ATOM 0 H TRP A 181 2.320 1.681 14.746 1.00 0.50 H new ATOM 0 HA TRP A 181 4.884 0.762 15.998 1.00 0.48 H new ATOM 0 HB2 TRP A 181 3.154 -0.871 14.872 1.00 0.47 H new ATOM 0 HB3 TRP A 181 3.733 -0.206 13.357 1.00 0.47 H new ATOM 0 HD1 TRP A 181 5.125 -1.901 16.545 1.00 1.85 H new ATOM 0 HE1 TRP A 181 7.294 -3.178 15.965 1.00 1.97 H new ATOM 0 HE3 TRP A 181 5.578 -0.521 11.651 1.00 1.66 H new ATOM 0 HZ2 TRP A 181 8.982 -3.536 13.654 1.00 0.66 H new ATOM 0 HZ3 TRP A 181 7.470 -1.347 10.282 1.00 2.08 H new ATOM 0 HH2 TRP A 181 9.171 -2.853 11.276 1.00 1.24 H new ATOM 2277 N ILE A 182 4.446 2.714 13.425 1.00 0.51 N ATOM 2278 CA ILE A 182 5.185 3.611 12.491 1.00 0.50 C ATOM 2279 C ILE A 182 5.814 4.766 13.278 1.00 0.56 C ATOM 2280 O ILE A 182 7.013 4.958 13.260 1.00 0.77 O ATOM 2281 CB ILE A 182 4.216 4.151 11.431 1.00 0.50 C ATOM 2282 CG1 ILE A 182 4.355 3.323 10.150 1.00 0.59 C ATOM 2283 CG2 ILE A 182 4.534 5.613 11.115 1.00 0.54 C ATOM 2284 CD1 ILE A 182 3.009 2.688 9.804 1.00 0.66 C ATOM 0 H ILE A 182 3.433 2.836 13.437 1.00 0.51 H new ATOM 0 HA ILE A 182 5.979 3.053 11.994 1.00 0.50 H new ATOM 0 HB ILE A 182 3.199 4.082 11.816 1.00 0.50 H new ATOM 0 HG12 ILE A 182 4.692 3.957 9.330 1.00 0.59 H new ATOM 0 HG13 ILE A 182 5.110 2.549 10.285 1.00 0.59 H new ATOM 0 HG21 ILE A 182 3.838 5.982 10.361 1.00 0.54 H new ATOM 0 HG22 ILE A 182 4.438 6.210 12.022 1.00 0.54 H new ATOM 0 HG23 ILE A 182 5.553 5.690 10.736 1.00 0.54 H new ATOM 0 HD11 ILE A 182 3.108 2.099 8.892 1.00 0.66 H new ATOM 0 HD12 ILE A 182 2.691 2.041 10.621 1.00 0.66 H new ATOM 0 HD13 ILE A 182 2.266 3.471 9.651 1.00 0.66 H new ATOM 2296 N GLN A 183 5.021 5.536 13.970 1.00 0.53 N ATOM 2297 CA GLN A 183 5.585 6.674 14.754 1.00 0.59 C ATOM 2298 C GLN A 183 6.629 6.160 15.755 1.00 0.65 C ATOM 2299 O GLN A 183 7.476 6.902 16.210 1.00 0.82 O ATOM 2300 CB GLN A 183 4.457 7.375 15.514 1.00 0.65 C ATOM 2301 CG GLN A 183 3.493 8.023 14.518 1.00 0.86 C ATOM 2302 CD GLN A 183 2.932 9.313 15.118 1.00 1.12 C ATOM 2303 OE1 GLN A 183 3.666 10.114 15.662 1.00 1.80 O ATOM 2304 NE2 GLN A 183 1.650 9.550 15.042 1.00 1.49 N ATOM 0 H GLN A 183 4.008 5.428 14.028 1.00 0.53 H new ATOM 0 HA GLN A 183 6.062 7.375 14.070 1.00 0.59 H new ATOM 0 HB2 GLN A 183 3.924 6.657 16.137 1.00 0.65 H new ATOM 0 HB3 GLN A 183 4.870 8.132 16.181 1.00 0.65 H new ATOM 0 HG2 GLN A 183 4.010 8.239 13.583 1.00 0.86 H new ATOM 0 HG3 GLN A 183 2.681 7.336 14.282 1.00 0.86 H new ATOM 0 HE21 GLN A 183 1.033 8.878 14.585 1.00 1.49 H new ATOM 0 HE22 GLN A 183 1.265 10.407 15.439 1.00 1.49 H new ATOM 2313 N GLU A 184 6.574 4.903 16.105 1.00 0.64 N ATOM 2314 CA GLU A 184 7.560 4.353 17.079 1.00 0.71 C ATOM 2315 C GLU A 184 8.991 4.651 16.618 1.00 0.63 C ATOM 2316 O GLU A 184 9.813 5.112 17.385 1.00 0.74 O ATOM 2317 CB GLU A 184 7.371 2.839 17.191 1.00 0.80 C ATOM 2318 CG GLU A 184 6.809 2.495 18.572 1.00 0.96 C ATOM 2319 CD GLU A 184 7.296 1.106 18.990 1.00 1.17 C ATOM 2320 OE1 GLU A 184 7.859 0.421 18.153 1.00 1.60 O ATOM 2321 OE2 GLU A 184 7.096 0.752 20.141 1.00 1.69 O ATOM 0 H GLU A 184 5.888 4.233 15.758 1.00 0.64 H new ATOM 0 HA GLU A 184 7.396 4.823 18.049 1.00 0.71 H new ATOM 0 HB2 GLU A 184 6.693 2.488 16.413 1.00 0.80 H new ATOM 0 HB3 GLU A 184 8.323 2.331 17.037 1.00 0.80 H new ATOM 0 HG2 GLU A 184 7.128 3.239 19.302 1.00 0.96 H new ATOM 0 HG3 GLU A 184 5.719 2.518 18.549 1.00 0.96 H new ATOM 2328 N ASN A 185 9.303 4.389 15.377 1.00 0.50 N ATOM 2329 CA ASN A 185 10.688 4.657 14.890 1.00 0.46 C ATOM 2330 C ASN A 185 10.647 5.189 13.454 1.00 0.42 C ATOM 2331 O ASN A 185 11.281 4.646 12.571 1.00 0.41 O ATOM 2332 CB ASN A 185 11.490 3.352 14.920 1.00 0.53 C ATOM 2333 CG ASN A 185 11.033 2.497 16.104 1.00 1.06 C ATOM 2334 OD1 ASN A 185 11.337 2.802 17.241 1.00 1.90 O ATOM 2335 ND2 ASN A 185 10.311 1.432 15.885 1.00 1.35 N ATOM 0 H ASN A 185 8.663 4.003 14.683 1.00 0.50 H new ATOM 0 HA ASN A 185 11.157 5.401 15.533 1.00 0.46 H new ATOM 0 HB2 ASN A 185 11.349 2.805 13.988 1.00 0.53 H new ATOM 0 HB3 ASN A 185 12.555 3.569 15.005 1.00 0.53 H new ATOM 0 HD21 ASN A 185 10.002 0.856 16.668 1.00 1.35 H new ATOM 0 HD22 ASN A 185 10.056 1.176 14.931 1.00 1.35 H new ATOM 2342 N GLY A 186 9.909 6.244 13.214 1.00 0.42 N ATOM 2343 CA GLY A 186 9.830 6.803 11.830 1.00 0.40 C ATOM 2344 C GLY A 186 9.448 5.682 10.868 1.00 0.35 C ATOM 2345 O GLY A 186 10.289 5.085 10.227 1.00 0.44 O ATOM 0 H GLY A 186 9.359 6.741 13.915 1.00 0.42 H new ATOM 0 HA2 GLY A 186 9.092 7.604 11.788 1.00 0.40 H new ATOM 0 HA3 GLY A 186 10.788 7.237 11.543 1.00 0.40 H new ATOM 2349 N GLY A 187 8.188 5.387 10.771 1.00 0.42 N ATOM 2350 CA GLY A 187 7.751 4.297 9.861 1.00 0.45 C ATOM 2351 C GLY A 187 7.726 4.783 8.412 1.00 0.42 C ATOM 2352 O GLY A 187 7.735 3.992 7.491 1.00 0.46 O ATOM 0 H GLY A 187 7.439 5.853 11.283 1.00 0.42 H new ATOM 0 HA2 GLY A 187 8.426 3.446 9.953 1.00 0.45 H new ATOM 0 HA3 GLY A 187 6.759 3.950 10.151 1.00 0.45 H new ATOM 2356 N TRP A 188 7.696 6.068 8.189 1.00 0.38 N ATOM 2357 CA TRP A 188 7.672 6.555 6.785 1.00 0.37 C ATOM 2358 C TRP A 188 9.101 6.825 6.323 1.00 0.35 C ATOM 2359 O TRP A 188 9.474 6.506 5.211 1.00 0.39 O ATOM 2360 CB TRP A 188 6.825 7.825 6.685 1.00 0.38 C ATOM 2361 CG TRP A 188 5.374 7.455 6.732 1.00 0.34 C ATOM 2362 CD1 TRP A 188 4.450 8.051 7.522 1.00 0.34 C ATOM 2363 CD2 TRP A 188 4.662 6.420 5.982 1.00 0.34 C ATOM 2364 NE1 TRP A 188 3.222 7.450 7.307 1.00 0.36 N ATOM 2365 CE2 TRP A 188 3.302 6.439 6.372 1.00 0.37 C ATOM 2366 CE3 TRP A 188 5.056 5.474 5.014 1.00 0.37 C ATOM 2367 CZ2 TRP A 188 2.370 5.555 5.826 1.00 0.43 C ATOM 2368 CZ3 TRP A 188 4.120 4.585 4.463 1.00 0.42 C ATOM 2369 CH2 TRP A 188 2.780 4.625 4.869 1.00 0.45 C ATOM 0 H TRP A 188 7.687 6.791 8.908 1.00 0.38 H new ATOM 0 HA TRP A 188 7.227 5.796 6.141 1.00 0.37 H new ATOM 0 HB2 TRP A 188 7.066 8.503 7.504 1.00 0.38 H new ATOM 0 HB3 TRP A 188 7.048 8.353 5.758 1.00 0.38 H new ATOM 0 HD1 TRP A 188 4.640 8.863 8.208 1.00 0.34 H new ATOM 0 HE1 TRP A 188 2.362 7.722 7.783 1.00 0.36 H new ATOM 0 HE3 TRP A 188 6.087 5.433 4.694 1.00 0.37 H new ATOM 0 HZ2 TRP A 188 1.338 5.590 6.142 1.00 0.43 H new ATOM 0 HZ3 TRP A 188 4.435 3.866 3.721 1.00 0.42 H new ATOM 0 HH2 TRP A 188 2.065 3.937 4.442 1.00 0.45 H new ATOM 2380 N ASP A 189 9.912 7.395 7.167 1.00 0.34 N ATOM 2381 CA ASP A 189 11.318 7.661 6.765 1.00 0.34 C ATOM 2382 C ASP A 189 12.043 6.318 6.656 1.00 0.35 C ATOM 2383 O ASP A 189 12.928 6.140 5.842 1.00 0.37 O ATOM 2384 CB ASP A 189 12.002 8.533 7.820 1.00 0.35 C ATOM 2385 CG ASP A 189 13.303 9.099 7.248 1.00 0.58 C ATOM 2386 OD1 ASP A 189 13.227 9.871 6.306 1.00 1.30 O ATOM 2387 OD2 ASP A 189 14.354 8.751 7.761 1.00 1.27 O ATOM 0 H ASP A 189 9.664 7.687 8.112 1.00 0.34 H new ATOM 0 HA ASP A 189 11.345 8.184 5.809 1.00 0.34 H new ATOM 0 HB2 ASP A 189 11.340 9.346 8.120 1.00 0.35 H new ATOM 0 HB3 ASP A 189 12.211 7.945 8.714 1.00 0.35 H new ATOM 2392 N THR A 190 11.664 5.367 7.472 1.00 0.34 N ATOM 2393 CA THR A 190 12.316 4.030 7.422 1.00 0.36 C ATOM 2394 C THR A 190 11.767 3.251 6.226 1.00 0.38 C ATOM 2395 O THR A 190 12.506 2.651 5.473 1.00 0.42 O ATOM 2396 CB THR A 190 12.014 3.263 8.712 1.00 0.36 C ATOM 2397 OG1 THR A 190 12.495 4.004 9.825 1.00 0.39 O ATOM 2398 CG2 THR A 190 12.704 1.899 8.667 1.00 0.37 C ATOM 0 H THR A 190 10.928 5.463 8.172 1.00 0.34 H new ATOM 0 HA THR A 190 13.394 4.152 7.320 1.00 0.36 H new ATOM 0 HB THR A 190 10.938 3.121 8.809 1.00 0.36 H new ATOM 0 HG1 THR A 190 11.911 4.775 9.982 1.00 0.39 H new ATOM 0 HG21 THR A 190 12.489 1.352 9.585 1.00 0.37 H new ATOM 0 HG22 THR A 190 12.334 1.332 7.812 1.00 0.37 H new ATOM 0 HG23 THR A 190 13.781 2.039 8.571 1.00 0.37 H new ATOM 2406 N PHE A 191 10.473 3.257 6.043 1.00 0.37 N ATOM 2407 CA PHE A 191 9.884 2.518 4.891 1.00 0.41 C ATOM 2408 C PHE A 191 10.512 3.024 3.593 1.00 0.44 C ATOM 2409 O PHE A 191 10.628 2.300 2.626 1.00 0.59 O ATOM 2410 CB PHE A 191 8.374 2.754 4.845 1.00 0.41 C ATOM 2411 CG PHE A 191 7.918 2.769 3.406 1.00 0.49 C ATOM 2412 CD1 PHE A 191 7.931 1.588 2.655 1.00 1.42 C ATOM 2413 CD2 PHE A 191 7.482 3.965 2.822 1.00 1.19 C ATOM 2414 CE1 PHE A 191 7.509 1.603 1.321 1.00 1.57 C ATOM 2415 CE2 PHE A 191 7.060 3.979 1.488 1.00 1.17 C ATOM 2416 CZ PHE A 191 7.073 2.798 0.738 1.00 0.80 C ATOM 0 H PHE A 191 9.802 3.740 6.640 1.00 0.37 H new ATOM 0 HA PHE A 191 10.081 1.452 5.006 1.00 0.41 H new ATOM 0 HB2 PHE A 191 7.854 1.970 5.396 1.00 0.41 H new ATOM 0 HB3 PHE A 191 8.127 3.700 5.327 1.00 0.41 H new ATOM 0 HD1 PHE A 191 8.267 0.665 3.105 1.00 1.42 H new ATOM 0 HD2 PHE A 191 7.472 4.876 3.401 1.00 1.19 H new ATOM 0 HE1 PHE A 191 7.520 0.692 0.741 1.00 1.57 H new ATOM 0 HE2 PHE A 191 6.724 4.901 1.037 1.00 1.17 H new ATOM 0 HZ PHE A 191 6.746 2.809 -0.291 1.00 0.80 H new ATOM 2426 N VAL A 192 10.918 4.264 3.563 1.00 0.35 N ATOM 2427 CA VAL A 192 11.538 4.817 2.327 1.00 0.40 C ATOM 2428 C VAL A 192 13.031 4.471 2.307 1.00 0.44 C ATOM 2429 O VAL A 192 13.633 4.336 1.261 1.00 0.51 O ATOM 2430 CB VAL A 192 11.362 6.338 2.310 1.00 0.40 C ATOM 2431 CG1 VAL A 192 12.321 6.955 1.293 1.00 0.47 C ATOM 2432 CG2 VAL A 192 9.920 6.680 1.923 1.00 0.41 C ATOM 0 H VAL A 192 10.847 4.918 4.342 1.00 0.35 H new ATOM 0 HA VAL A 192 11.056 4.386 1.450 1.00 0.40 H new ATOM 0 HB VAL A 192 11.579 6.738 3.300 1.00 0.40 H new ATOM 0 HG11 VAL A 192 12.194 8.037 1.283 1.00 0.47 H new ATOM 0 HG12 VAL A 192 13.348 6.713 1.568 1.00 0.47 H new ATOM 0 HG13 VAL A 192 12.107 6.555 0.302 1.00 0.47 H new ATOM 0 HG21 VAL A 192 9.794 7.763 1.911 1.00 0.41 H new ATOM 0 HG22 VAL A 192 9.704 6.278 0.933 1.00 0.41 H new ATOM 0 HG23 VAL A 192 9.235 6.243 2.650 1.00 0.41 H new ATOM 2442 N GLU A 193 13.633 4.330 3.458 1.00 0.41 N ATOM 2443 CA GLU A 193 15.086 3.995 3.512 1.00 0.46 C ATOM 2444 C GLU A 193 15.313 2.554 3.040 1.00 0.50 C ATOM 2445 O GLU A 193 16.373 2.212 2.556 1.00 0.56 O ATOM 2446 CB GLU A 193 15.581 4.138 4.953 1.00 0.46 C ATOM 2447 CG GLU A 193 17.025 4.643 4.951 1.00 0.56 C ATOM 2448 CD GLU A 193 17.468 4.928 6.387 1.00 1.34 C ATOM 2449 OE1 GLU A 193 16.675 4.705 7.286 1.00 2.06 O ATOM 2450 OE2 GLU A 193 18.594 5.363 6.563 1.00 2.04 O ATOM 0 H GLU A 193 13.180 4.433 4.366 1.00 0.41 H new ATOM 0 HA GLU A 193 15.635 4.674 2.859 1.00 0.46 H new ATOM 0 HB2 GLU A 193 14.943 4.832 5.500 1.00 0.46 H new ATOM 0 HB3 GLU A 193 15.521 3.178 5.466 1.00 0.46 H new ATOM 0 HG2 GLU A 193 17.681 3.900 4.498 1.00 0.56 H new ATOM 0 HG3 GLU A 193 17.104 5.548 4.348 1.00 0.56 H new ATOM 2457 N LEU A 194 14.331 1.705 3.178 1.00 0.48 N ATOM 2458 CA LEU A 194 14.502 0.289 2.738 1.00 0.52 C ATOM 2459 C LEU A 194 13.766 0.057 1.414 1.00 0.59 C ATOM 2460 O LEU A 194 14.093 -0.842 0.665 1.00 1.03 O ATOM 2461 CB LEU A 194 13.931 -0.646 3.806 1.00 0.48 C ATOM 2462 CG LEU A 194 14.474 -0.246 5.178 1.00 0.46 C ATOM 2463 CD1 LEU A 194 14.198 -1.366 6.183 1.00 0.48 C ATOM 2464 CD2 LEU A 194 15.982 -0.011 5.079 1.00 0.47 C ATOM 0 H LEU A 194 13.419 1.929 3.576 1.00 0.48 H new ATOM 0 HA LEU A 194 15.563 0.085 2.597 1.00 0.52 H new ATOM 0 HB2 LEU A 194 12.842 -0.594 3.805 1.00 0.48 H new ATOM 0 HB3 LEU A 194 14.201 -1.678 3.583 1.00 0.48 H new ATOM 0 HG LEU A 194 13.983 0.669 5.510 1.00 0.46 H new ATOM 0 HD11 LEU A 194 14.585 -1.081 7.161 1.00 0.48 H new ATOM 0 HD12 LEU A 194 13.123 -1.535 6.253 1.00 0.48 H new ATOM 0 HD13 LEU A 194 14.688 -2.281 5.852 1.00 0.48 H new ATOM 0 HD21 LEU A 194 16.371 0.274 6.057 1.00 0.47 H new ATOM 0 HD22 LEU A 194 16.472 -0.926 4.747 1.00 0.47 H new ATOM 0 HD23 LEU A 194 16.180 0.787 4.363 1.00 0.47 H new ATOM 2476 N TYR A 195 12.777 0.855 1.118 1.00 0.48 N ATOM 2477 CA TYR A 195 12.027 0.673 -0.157 1.00 0.51 C ATOM 2478 C TYR A 195 12.062 1.978 -0.954 1.00 0.66 C ATOM 2479 O TYR A 195 11.097 2.357 -1.586 1.00 1.29 O ATOM 2480 CB TYR A 195 10.574 0.304 0.154 1.00 0.48 C ATOM 2481 CG TYR A 195 10.522 -1.074 0.771 1.00 0.37 C ATOM 2482 CD1 TYR A 195 10.700 -1.230 2.151 1.00 1.27 C ATOM 2483 CD2 TYR A 195 10.295 -2.195 -0.037 1.00 1.20 C ATOM 2484 CE1 TYR A 195 10.650 -2.506 2.724 1.00 1.27 C ATOM 2485 CE2 TYR A 195 10.245 -3.472 0.536 1.00 1.22 C ATOM 2486 CZ TYR A 195 10.423 -3.627 1.917 1.00 0.41 C ATOM 2487 OH TYR A 195 10.374 -4.885 2.482 1.00 0.52 O ATOM 0 H TYR A 195 12.456 1.625 1.704 1.00 0.48 H new ATOM 0 HA TYR A 195 12.486 -0.125 -0.741 1.00 0.51 H new ATOM 0 HB2 TYR A 195 10.140 1.035 0.836 1.00 0.48 H new ATOM 0 HB3 TYR A 195 9.979 0.327 -0.759 1.00 0.48 H new ATOM 0 HD1 TYR A 195 10.876 -0.365 2.774 1.00 1.27 H new ATOM 0 HD2 TYR A 195 10.159 -2.075 -1.102 1.00 1.20 H new ATOM 0 HE1 TYR A 195 10.787 -2.626 3.789 1.00 1.27 H new ATOM 0 HE2 TYR A 195 10.069 -4.337 -0.086 1.00 1.22 H new ATOM 0 HH TYR A 195 10.207 -5.551 1.783 1.00 0.52 H new ATOM 2497 N GLY A 196 13.169 2.670 -0.925 1.00 0.40 N ATOM 2498 CA GLY A 196 13.270 3.954 -1.678 1.00 0.43 C ATOM 2499 C GLY A 196 13.059 3.700 -3.172 1.00 0.55 C ATOM 2500 O GLY A 196 12.561 2.667 -3.575 1.00 1.34 O ATOM 0 H GLY A 196 14.009 2.402 -0.412 1.00 0.40 H new ATOM 0 HA2 GLY A 196 12.525 4.660 -1.312 1.00 0.43 H new ATOM 0 HA3 GLY A 196 14.247 4.407 -1.512 1.00 0.43 H new ATOM 2504 N ASN A 197 13.435 4.640 -3.996 1.00 0.67 N ATOM 2505 CA ASN A 197 13.260 4.465 -5.466 1.00 0.66 C ATOM 2506 C ASN A 197 14.041 3.236 -5.937 1.00 0.70 C ATOM 2507 O ASN A 197 15.245 3.161 -5.789 1.00 1.23 O ATOM 2508 CB ASN A 197 13.788 5.706 -6.188 1.00 0.74 C ATOM 2509 CG ASN A 197 12.652 6.371 -6.968 1.00 1.41 C ATOM 2510 OD1 ASN A 197 11.505 6.303 -6.573 1.00 2.19 O ATOM 2511 ND2 ASN A 197 12.925 7.017 -8.069 1.00 1.84 N ATOM 0 H ASN A 197 13.857 5.524 -3.713 1.00 0.67 H new ATOM 0 HA ASN A 197 12.202 4.328 -5.690 1.00 0.66 H new ATOM 0 HB2 ASN A 197 14.206 6.408 -5.467 1.00 0.74 H new ATOM 0 HB3 ASN A 197 14.594 5.428 -6.867 1.00 0.74 H new ATOM 0 HD21 ASN A 197 12.176 7.464 -8.597 1.00 1.84 H new ATOM 0 HD22 ASN A 197 13.888 7.075 -8.401 1.00 1.84 H new ATOM 2518 N ASN A 198 13.365 2.274 -6.507 1.00 0.85 N ATOM 2519 CA ASN A 198 14.064 1.051 -6.991 1.00 0.91 C ATOM 2520 C ASN A 198 14.900 0.451 -5.859 1.00 0.76 C ATOM 2521 O ASN A 198 16.010 0.004 -6.066 1.00 0.87 O ATOM 2522 CB ASN A 198 14.978 1.420 -8.160 1.00 1.13 C ATOM 2523 CG ASN A 198 14.163 2.130 -9.242 1.00 1.61 C ATOM 2524 OD1 ASN A 198 13.489 3.104 -8.971 1.00 2.27 O ATOM 2525 ND2 ASN A 198 14.197 1.681 -10.467 1.00 1.87 N ATOM 0 H ASN A 198 12.356 2.284 -6.658 1.00 0.85 H new ATOM 0 HA ASN A 198 13.326 0.319 -7.319 1.00 0.91 H new ATOM 0 HB2 ASN A 198 15.785 2.067 -7.814 1.00 1.13 H new ATOM 0 HB3 ASN A 198 15.442 0.523 -8.570 1.00 1.13 H new ATOM 0 HD21 ASN A 198 13.658 2.148 -11.196 1.00 1.87 H new ATOM 0 HD22 ASN A 198 14.763 0.863 -10.695 1.00 1.87 H new ATOM 2532 N ALA A 199 14.377 0.437 -4.665 1.00 0.64 N ATOM 2533 CA ALA A 199 15.144 -0.134 -3.524 1.00 0.70 C ATOM 2534 C ALA A 199 15.183 -1.657 -3.650 1.00 0.79 C ATOM 2535 O ALA A 199 16.157 -2.293 -3.302 1.00 0.94 O ATOM 2536 CB ALA A 199 14.468 0.250 -2.209 1.00 0.78 C ATOM 0 H ALA A 199 13.452 0.796 -4.430 1.00 0.64 H new ATOM 0 HA ALA A 199 16.160 0.260 -3.537 1.00 0.70 H new ATOM 0 HB1 ALA A 199 15.031 -0.169 -1.375 1.00 0.78 H new ATOM 0 HB2 ALA A 199 14.439 1.336 -2.118 1.00 0.78 H new ATOM 0 HB3 ALA A 199 13.451 -0.143 -2.194 1.00 0.78 H new ATOM 2542 N ALA A 200 14.131 -2.249 -4.145 1.00 0.80 N ATOM 2543 CA ALA A 200 14.112 -3.731 -4.293 1.00 0.97 C ATOM 2544 C ALA A 200 15.319 -4.168 -5.125 1.00 1.01 C ATOM 2545 O ALA A 200 16.066 -5.046 -4.742 1.00 1.16 O ATOM 2546 CB ALA A 200 12.821 -4.157 -4.994 1.00 1.09 C ATOM 0 H ALA A 200 13.284 -1.771 -4.453 1.00 0.80 H new ATOM 0 HA ALA A 200 14.158 -4.200 -3.310 1.00 0.97 H new ATOM 0 HB1 ALA A 200 12.807 -5.241 -5.103 1.00 1.09 H new ATOM 0 HB2 ALA A 200 11.963 -3.840 -4.401 1.00 1.09 H new ATOM 0 HB3 ALA A 200 12.772 -3.693 -5.979 1.00 1.09 H new ATOM 2552 N ALA A 201 15.517 -3.558 -6.262 1.00 0.98 N ATOM 2553 CA ALA A 201 16.678 -3.933 -7.118 1.00 1.10 C ATOM 2554 C ALA A 201 17.968 -3.393 -6.494 1.00 1.11 C ATOM 2555 O ALA A 201 19.039 -3.919 -6.718 1.00 1.29 O ATOM 2556 CB ALA A 201 16.496 -3.332 -8.514 1.00 1.19 C ATOM 0 H ALA A 201 14.925 -2.816 -6.635 1.00 0.98 H new ATOM 0 HA ALA A 201 16.738 -5.019 -7.194 1.00 1.10 H new ATOM 0 HB1 ALA A 201 17.344 -3.605 -9.141 1.00 1.19 H new ATOM 0 HB2 ALA A 201 15.578 -3.716 -8.958 1.00 1.19 H new ATOM 0 HB3 ALA A 201 16.436 -2.246 -8.438 1.00 1.19 H new ATOM 2562 N GLU A 202 17.877 -2.350 -5.710 1.00 1.00 N ATOM 2563 CA GLU A 202 19.102 -1.785 -5.074 1.00 1.12 C ATOM 2564 C GLU A 202 19.565 -2.692 -3.926 1.00 1.25 C ATOM 2565 O GLU A 202 20.681 -2.589 -3.459 1.00 1.43 O ATOM 2566 CB GLU A 202 18.795 -0.389 -4.531 1.00 1.06 C ATOM 2567 CG GLU A 202 19.613 0.651 -5.299 1.00 1.19 C ATOM 2568 CD GLU A 202 21.053 0.651 -4.784 1.00 1.50 C ATOM 2569 OE1 GLU A 202 21.246 0.964 -3.620 1.00 1.84 O ATOM 2570 OE2 GLU A 202 21.940 0.338 -5.561 1.00 2.07 O ATOM 0 H GLU A 202 17.008 -1.866 -5.484 1.00 1.00 H new ATOM 0 HA GLU A 202 19.895 -1.722 -5.819 1.00 1.12 H new ATOM 0 HB2 GLU A 202 17.731 -0.175 -4.630 1.00 1.06 H new ATOM 0 HB3 GLU A 202 19.032 -0.341 -3.468 1.00 1.06 H new ATOM 0 HG2 GLU A 202 19.597 0.426 -6.365 1.00 1.19 H new ATOM 0 HG3 GLU A 202 19.172 1.640 -5.175 1.00 1.19 H new ATOM 2577 N SER A 203 18.728 -3.583 -3.465 1.00 1.23 N ATOM 2578 CA SER A 203 19.146 -4.482 -2.356 1.00 1.43 C ATOM 2579 C SER A 203 20.070 -5.568 -2.919 1.00 1.55 C ATOM 2580 O SER A 203 20.898 -6.117 -2.219 1.00 1.75 O ATOM 2581 CB SER A 203 17.910 -5.130 -1.730 1.00 1.44 C ATOM 2582 OG SER A 203 18.230 -6.452 -1.318 1.00 1.63 O ATOM 0 H SER A 203 17.778 -3.725 -3.808 1.00 1.23 H new ATOM 0 HA SER A 203 19.674 -3.910 -1.593 1.00 1.43 H new ATOM 0 HB2 SER A 203 17.570 -4.543 -0.877 1.00 1.44 H new ATOM 0 HB3 SER A 203 17.092 -5.149 -2.450 1.00 1.44 H new ATOM 0 HG SER A 203 17.440 -6.869 -0.915 1.00 1.63 H new ATOM 2588 N ARG A 204 19.935 -5.880 -4.183 1.00 1.47 N ATOM 2589 CA ARG A 204 20.800 -6.924 -4.796 1.00 1.61 C ATOM 2590 C ARG A 204 21.967 -6.261 -5.540 1.00 1.70 C ATOM 2591 O ARG A 204 23.009 -6.857 -5.729 1.00 1.86 O ATOM 2592 CB ARG A 204 19.969 -7.752 -5.778 1.00 1.55 C ATOM 2593 CG ARG A 204 20.506 -9.183 -5.814 1.00 1.80 C ATOM 2594 CD ARG A 204 20.783 -9.590 -7.261 1.00 2.01 C ATOM 2595 NE ARG A 204 19.564 -10.218 -7.844 1.00 2.06 N ATOM 2596 CZ ARG A 204 19.055 -11.289 -7.297 1.00 2.31 C ATOM 2597 NH1 ARG A 204 19.727 -12.408 -7.303 1.00 2.59 N ATOM 2598 NH2 ARG A 204 17.874 -11.240 -6.743 1.00 2.96 N ATOM 0 H ARG A 204 19.259 -5.453 -4.816 1.00 1.47 H new ATOM 0 HA ARG A 204 21.198 -7.572 -4.015 1.00 1.61 H new ATOM 0 HB2 ARG A 204 18.922 -7.752 -5.476 1.00 1.55 H new ATOM 0 HB3 ARG A 204 20.014 -7.310 -6.773 1.00 1.55 H new ATOM 0 HG2 ARG A 204 21.420 -9.254 -5.224 1.00 1.80 H new ATOM 0 HG3 ARG A 204 19.783 -9.865 -5.366 1.00 1.80 H new ATOM 0 HD2 ARG A 204 21.070 -8.717 -7.847 1.00 2.01 H new ATOM 0 HD3 ARG A 204 21.619 -10.289 -7.300 1.00 2.01 H new ATOM 0 HE ARG A 204 19.127 -9.811 -8.671 1.00 2.06 H new ATOM 0 HH11 ARG A 204 20.650 -12.446 -7.735 1.00 2.59 H new ATOM 0 HH12 ARG A 204 19.329 -13.244 -6.876 1.00 2.59 H new ATOM 0 HH21 ARG A 204 17.349 -10.365 -6.738 1.00 2.96 H new ATOM 0 HH22 ARG A 204 17.476 -12.076 -6.316 1.00 2.96 H new ATOM 2612 N LYS A 205 21.805 -5.034 -5.964 1.00 1.64 N ATOM 2613 CA LYS A 205 22.909 -4.344 -6.692 1.00 1.79 C ATOM 2614 C LYS A 205 23.613 -3.374 -5.740 1.00 2.00 C ATOM 2615 O LYS A 205 24.813 -3.429 -5.555 1.00 2.19 O ATOM 2616 CB LYS A 205 22.331 -3.569 -7.876 1.00 1.69 C ATOM 2617 CG LYS A 205 22.438 -4.425 -9.138 1.00 1.73 C ATOM 2618 CD LYS A 205 22.642 -3.521 -10.355 1.00 1.81 C ATOM 2619 CE LYS A 205 21.422 -2.614 -10.530 1.00 1.75 C ATOM 2620 NZ LYS A 205 21.639 -1.711 -11.696 1.00 2.26 N ATOM 0 H LYS A 205 20.957 -4.482 -5.837 1.00 1.64 H new ATOM 0 HA LYS A 205 23.625 -5.081 -7.057 1.00 1.79 H new ATOM 0 HB2 LYS A 205 21.289 -3.312 -7.684 1.00 1.69 H new ATOM 0 HB3 LYS A 205 22.871 -2.632 -8.011 1.00 1.69 H new ATOM 0 HG2 LYS A 205 23.270 -5.123 -9.047 1.00 1.73 H new ATOM 0 HG3 LYS A 205 21.534 -5.022 -9.263 1.00 1.73 H new ATOM 0 HD2 LYS A 205 23.541 -2.918 -10.226 1.00 1.81 H new ATOM 0 HD3 LYS A 205 22.789 -4.126 -11.250 1.00 1.81 H new ATOM 0 HE2 LYS A 205 20.527 -3.216 -10.684 1.00 1.75 H new ATOM 0 HE3 LYS A 205 21.259 -2.026 -9.626 1.00 1.75 H new ATOM 0 HZ1 LYS A 205 20.811 -1.094 -11.816 1.00 2.26 H new ATOM 0 HZ2 LYS A 205 22.484 -1.128 -11.531 1.00 2.26 H new ATOM 0 HZ3 LYS A 205 21.774 -2.280 -12.556 1.00 2.26 H new ATOM 2634 N GLY A 206 22.870 -2.488 -5.134 1.00 2.06 N ATOM 2635 CA GLY A 206 23.482 -1.507 -4.188 1.00 2.34 C ATOM 2636 C GLY A 206 24.256 -2.242 -3.084 1.00 2.60 C ATOM 2637 O GLY A 206 25.126 -1.673 -2.455 1.00 3.07 O ATOM 0 H GLY A 206 21.861 -2.400 -5.253 1.00 2.06 H new ATOM 0 HA2 GLY A 206 24.153 -0.840 -4.729 1.00 2.34 H new ATOM 0 HA3 GLY A 206 22.704 -0.886 -3.744 1.00 2.34 H new ATOM 2641 N GLN A 207 23.942 -3.495 -2.846 1.00 2.61 N ATOM 2642 CA GLN A 207 24.651 -4.278 -1.786 1.00 3.24 C ATOM 2643 C GLN A 207 26.170 -4.081 -1.912 1.00 4.05 C ATOM 2644 O GLN A 207 26.777 -3.434 -1.089 1.00 4.58 O ATOM 2645 CB GLN A 207 24.295 -5.754 -1.954 1.00 3.71 C ATOM 2646 CG GLN A 207 24.357 -6.447 -0.598 1.00 3.94 C ATOM 2647 CD GLN A 207 23.348 -7.598 -0.564 1.00 4.64 C ATOM 2648 OE1 GLN A 207 22.787 -7.958 -1.579 1.00 5.01 O ATOM 2649 NE2 GLN A 207 23.093 -8.193 0.569 1.00 5.17 N ATOM 0 H GLN A 207 23.218 -4.011 -3.346 1.00 2.61 H new ATOM 0 HA GLN A 207 24.342 -3.933 -0.799 1.00 3.24 H new ATOM 0 HB2 GLN A 207 23.296 -5.852 -2.380 1.00 3.71 H new ATOM 0 HB3 GLN A 207 24.986 -6.229 -2.650 1.00 3.71 H new ATOM 0 HG2 GLN A 207 25.363 -6.826 -0.418 1.00 3.94 H new ATOM 0 HG3 GLN A 207 24.138 -5.734 0.197 1.00 3.94 H new ATOM 0 HE21 GLN A 207 23.564 -7.890 1.421 1.00 5.17 H new ATOM 0 HE22 GLN A 207 22.422 -8.961 0.602 1.00 5.17 H new ATOM 2658 N GLU A 208 26.771 -4.618 -2.945 1.00 4.52 N ATOM 2659 CA GLU A 208 28.242 -4.463 -3.166 1.00 5.46 C ATOM 2660 C GLU A 208 29.086 -4.989 -1.987 1.00 5.77 C ATOM 2661 O GLU A 208 29.580 -6.097 -2.022 1.00 6.37 O ATOM 2662 CB GLU A 208 28.550 -2.982 -3.404 1.00 6.08 C ATOM 2663 CG GLU A 208 27.871 -2.530 -4.695 1.00 5.96 C ATOM 2664 CD GLU A 208 28.589 -1.296 -5.245 1.00 7.10 C ATOM 2665 OE1 GLU A 208 28.938 -0.437 -4.452 1.00 7.49 O ATOM 2666 OE2 GLU A 208 28.779 -1.232 -6.448 1.00 7.77 O ATOM 0 H GLU A 208 26.294 -5.168 -3.659 1.00 4.52 H new ATOM 0 HA GLU A 208 28.512 -5.063 -4.035 1.00 5.46 H new ATOM 0 HB2 GLU A 208 28.195 -2.385 -2.564 1.00 6.08 H new ATOM 0 HB3 GLU A 208 29.627 -2.828 -3.472 1.00 6.08 H new ATOM 0 HG2 GLU A 208 27.893 -3.334 -5.430 1.00 5.96 H new ATOM 0 HG3 GLU A 208 26.823 -2.299 -4.505 1.00 5.96 H new ATOM 2673 N ARG A 209 29.276 -4.186 -0.971 1.00 5.65 N ATOM 2674 CA ARG A 209 30.109 -4.581 0.213 1.00 6.23 C ATOM 2675 C ARG A 209 29.920 -6.053 0.646 1.00 6.43 C ATOM 2676 O ARG A 209 30.636 -6.926 0.196 1.00 7.20 O ATOM 2677 CB ARG A 209 29.787 -3.645 1.383 1.00 6.33 C ATOM 2678 CG ARG A 209 30.659 -4.016 2.584 1.00 6.92 C ATOM 2679 CD ARG A 209 29.773 -4.471 3.745 1.00 7.07 C ATOM 2680 NE ARG A 209 30.450 -4.156 5.034 1.00 7.80 N ATOM 2681 CZ ARG A 209 30.852 -5.123 5.813 1.00 8.26 C ATOM 2682 NH1 ARG A 209 31.983 -5.728 5.572 1.00 8.83 N ATOM 2683 NH2 ARG A 209 30.122 -5.486 6.832 1.00 8.43 N ATOM 0 H ARG A 209 28.879 -3.248 -0.909 1.00 5.65 H new ATOM 0 HA ARG A 209 31.153 -4.489 -0.086 1.00 6.23 H new ATOM 0 HB2 ARG A 209 29.967 -2.609 1.095 1.00 6.33 H new ATOM 0 HB3 ARG A 209 28.732 -3.724 1.647 1.00 6.33 H new ATOM 0 HG2 ARG A 209 31.352 -4.811 2.310 1.00 6.92 H new ATOM 0 HG3 ARG A 209 31.260 -3.159 2.887 1.00 6.92 H new ATOM 0 HD2 ARG A 209 28.806 -3.971 3.697 1.00 7.07 H new ATOM 0 HD3 ARG A 209 29.582 -5.542 3.674 1.00 7.07 H new ATOM 0 HE ARG A 209 30.599 -3.185 5.308 1.00 7.80 H new ATOM 0 HH11 ARG A 209 32.553 -5.445 4.775 1.00 8.83 H new ATOM 0 HH12 ARG A 209 32.297 -6.484 6.181 1.00 8.83 H new ATOM 0 HH21 ARG A 209 29.237 -5.014 7.020 1.00 8.43 H new ATOM 0 HH22 ARG A 209 30.436 -6.242 7.441 1.00 8.43 H new ATOM 2697 N LEU A 210 28.996 -6.341 1.531 1.00 6.00 N ATOM 2698 CA LEU A 210 28.824 -7.763 1.991 1.00 6.62 C ATOM 2699 C LEU A 210 28.223 -8.666 0.904 1.00 7.01 C ATOM 2700 O LEU A 210 28.108 -9.861 1.092 1.00 7.89 O ATOM 2701 CB LEU A 210 27.948 -7.841 3.258 1.00 6.42 C ATOM 2702 CG LEU A 210 26.808 -6.812 3.239 1.00 5.46 C ATOM 2703 CD1 LEU A 210 26.083 -6.857 1.897 1.00 5.55 C ATOM 2704 CD2 LEU A 210 25.817 -7.142 4.357 1.00 5.35 C ATOM 0 H LEU A 210 28.359 -5.665 1.953 1.00 6.00 H new ATOM 0 HA LEU A 210 29.826 -8.127 2.219 1.00 6.62 H new ATOM 0 HB2 LEU A 210 27.529 -8.843 3.347 1.00 6.42 H new ATOM 0 HB3 LEU A 210 28.569 -7.676 4.138 1.00 6.42 H new ATOM 0 HG LEU A 210 27.223 -5.815 3.388 1.00 5.46 H new ATOM 0 HD11 LEU A 210 25.277 -6.124 1.894 1.00 5.55 H new ATOM 0 HD12 LEU A 210 26.786 -6.627 1.096 1.00 5.55 H new ATOM 0 HD13 LEU A 210 25.668 -7.853 1.741 1.00 5.55 H new ATOM 0 HD21 LEU A 210 25.005 -6.415 4.349 1.00 5.35 H new ATOM 0 HD22 LEU A 210 25.411 -8.141 4.200 1.00 5.35 H new ATOM 0 HD23 LEU A 210 26.328 -7.105 5.319 1.00 5.35 H new ATOM 2716 N GLU A 211 27.839 -8.136 -0.219 1.00 6.59 N ATOM 2717 CA GLU A 211 27.255 -9.014 -1.273 1.00 7.27 C ATOM 2718 C GLU A 211 28.354 -9.874 -1.907 1.00 8.23 C ATOM 2719 O GLU A 211 28.286 -11.086 -1.896 1.00 8.53 O ATOM 2720 CB GLU A 211 26.603 -8.157 -2.354 1.00 6.93 C ATOM 2721 CG GLU A 211 26.727 -8.866 -3.703 1.00 7.53 C ATOM 2722 CD GLU A 211 25.746 -8.249 -4.702 1.00 8.25 C ATOM 2723 OE1 GLU A 211 24.552 -8.387 -4.492 1.00 8.75 O ATOM 2724 OE2 GLU A 211 26.206 -7.651 -5.660 1.00 8.49 O ATOM 0 H GLU A 211 27.901 -7.146 -0.455 1.00 6.59 H new ATOM 0 HA GLU A 211 26.506 -9.662 -0.817 1.00 7.27 H new ATOM 0 HB2 GLU A 211 25.553 -7.986 -2.115 1.00 6.93 H new ATOM 0 HB3 GLU A 211 27.083 -7.179 -2.398 1.00 6.93 H new ATOM 0 HG2 GLU A 211 27.747 -8.778 -4.078 1.00 7.53 H new ATOM 0 HG3 GLU A 211 26.521 -9.930 -3.586 1.00 7.53 H new ATOM 2731 N HIS A 212 29.362 -9.253 -2.458 1.00 8.89 N ATOM 2732 CA HIS A 212 30.470 -10.029 -3.097 1.00 9.87 C ATOM 2733 C HIS A 212 31.428 -9.075 -3.822 1.00 10.41 C ATOM 2734 O HIS A 212 32.606 -9.349 -3.907 1.00 10.56 O ATOM 2735 CB HIS A 212 29.895 -11.020 -4.112 1.00 10.42 C ATOM 2736 CG HIS A 212 30.988 -11.464 -5.044 1.00 10.78 C ATOM 2737 ND1 HIS A 212 32.231 -11.871 -4.583 1.00 11.05 N ATOM 2738 CD2 HIS A 212 31.043 -11.570 -6.412 1.00 11.13 C ATOM 2739 CE1 HIS A 212 32.974 -12.198 -5.656 1.00 11.53 C ATOM 2740 NE2 HIS A 212 32.298 -12.033 -6.796 1.00 11.59 N ATOM 0 H HIS A 212 29.468 -8.239 -2.494 1.00 8.89 H new ATOM 0 HA HIS A 212 31.010 -10.570 -2.320 1.00 9.87 H new ATOM 0 HB2 HIS A 212 29.469 -11.881 -3.596 1.00 10.42 H new ATOM 0 HB3 HIS A 212 29.087 -10.554 -4.676 1.00 10.42 H new ATOM 0 HD2 HIS A 212 30.235 -11.330 -7.087 1.00 11.13 H new ATOM 0 HE1 HIS A 212 33.993 -12.551 -5.602 1.00 11.53 H new ATOM 0 HE2 HIS A 212 32.630 -12.209 -7.744 1.00 11.59 H new ATOM 2748 N HIS A 213 30.900 -7.970 -4.334 1.00 10.91 N ATOM 2749 CA HIS A 213 31.694 -6.920 -5.084 1.00 11.64 C ATOM 2750 C HIS A 213 33.171 -7.295 -5.289 1.00 12.45 C ATOM 2751 O HIS A 213 33.960 -7.330 -4.368 1.00 12.73 O ATOM 2752 CB HIS A 213 31.570 -5.567 -4.360 1.00 11.84 C ATOM 2753 CG HIS A 213 32.309 -5.546 -3.038 1.00 12.18 C ATOM 2754 ND1 HIS A 213 32.755 -4.356 -2.481 1.00 12.56 N ATOM 2755 CD2 HIS A 213 32.667 -6.527 -2.140 1.00 12.42 C ATOM 2756 CE1 HIS A 213 33.347 -4.647 -1.309 1.00 12.99 C ATOM 2757 NE2 HIS A 213 33.321 -5.955 -1.053 1.00 12.94 N ATOM 0 H HIS A 213 29.908 -7.746 -4.258 1.00 10.91 H new ATOM 0 HA HIS A 213 31.266 -6.850 -6.084 1.00 11.64 H new ATOM 0 HB2 HIS A 213 31.960 -4.778 -5.003 1.00 11.84 H new ATOM 0 HB3 HIS A 213 30.517 -5.346 -4.187 1.00 11.84 H new ATOM 0 HD2 HIS A 213 32.470 -7.582 -2.261 1.00 12.42 H new ATOM 0 HE1 HIS A 213 33.790 -3.911 -0.655 1.00 12.99 H new ATOM 0 HE2 HIS A 213 33.699 -6.434 -0.236 1.00 12.94 H new ATOM 2765 N HIS A 214 33.542 -7.583 -6.510 1.00 12.99 N ATOM 2766 CA HIS A 214 34.954 -7.968 -6.799 1.00 13.90 C ATOM 2767 C HIS A 214 35.743 -6.770 -7.338 1.00 14.58 C ATOM 2768 O HIS A 214 35.998 -6.669 -8.522 1.00 15.09 O ATOM 2769 CB HIS A 214 34.961 -9.084 -7.846 1.00 14.46 C ATOM 2770 CG HIS A 214 36.204 -9.916 -7.693 1.00 14.66 C ATOM 2771 ND1 HIS A 214 37.429 -9.519 -8.207 1.00 14.65 N ATOM 2772 CD2 HIS A 214 36.426 -11.130 -7.092 1.00 15.04 C ATOM 2773 CE1 HIS A 214 38.324 -10.478 -7.909 1.00 15.01 C ATOM 2774 NE2 HIS A 214 37.765 -11.483 -7.229 1.00 15.27 N ATOM 0 H HIS A 214 32.925 -7.568 -7.322 1.00 12.99 H new ATOM 0 HA HIS A 214 35.422 -8.309 -5.876 1.00 13.90 H new ATOM 0 HB2 HIS A 214 34.076 -9.710 -7.730 1.00 14.46 H new ATOM 0 HB3 HIS A 214 34.919 -8.656 -8.848 1.00 14.46 H new ATOM 0 HD2 HIS A 214 35.675 -11.721 -6.589 1.00 15.04 H new ATOM 0 HE1 HIS A 214 39.367 -10.440 -8.186 1.00 15.01 H new ATOM 0 HE2 HIS A 214 38.222 -12.327 -6.884 1.00 15.27 H new ATOM 2782 N HIS A 215 36.144 -5.868 -6.484 1.00 14.73 N ATOM 2783 CA HIS A 215 36.928 -4.692 -6.962 1.00 15.54 C ATOM 2784 C HIS A 215 37.828 -4.173 -5.835 1.00 15.94 C ATOM 2785 O HIS A 215 38.230 -3.026 -5.828 1.00 15.90 O ATOM 2786 CB HIS A 215 35.982 -3.578 -7.430 1.00 15.63 C ATOM 2787 CG HIS A 215 35.007 -3.219 -6.340 1.00 15.96 C ATOM 2788 ND1 HIS A 215 35.406 -2.641 -5.144 1.00 16.39 N ATOM 2789 CD2 HIS A 215 33.640 -3.324 -6.267 1.00 16.08 C ATOM 2790 CE1 HIS A 215 34.300 -2.420 -4.412 1.00 16.74 C ATOM 2791 NE2 HIS A 215 33.197 -2.817 -5.050 1.00 16.59 N ATOM 0 H HIS A 215 35.964 -5.893 -5.480 1.00 14.73 H new ATOM 0 HA HIS A 215 37.549 -5.001 -7.803 1.00 15.54 H new ATOM 0 HB2 HIS A 215 36.560 -2.698 -7.713 1.00 15.63 H new ATOM 0 HB3 HIS A 215 35.440 -3.903 -8.318 1.00 15.63 H new ATOM 0 HD1 HIS A 215 36.364 -2.423 -4.870 1.00 16.39 H new ATOM 0 HD2 HIS A 215 33.006 -3.737 -7.037 1.00 16.08 H new ATOM 0 HE1 HIS A 215 34.304 -1.975 -3.428 1.00 16.74 H new ATOM 2799 N HIS A 216 38.154 -5.008 -4.882 1.00 16.44 N ATOM 2800 CA HIS A 216 39.029 -4.560 -3.762 1.00 16.98 C ATOM 2801 C HIS A 216 40.341 -3.995 -4.318 1.00 17.48 C ATOM 2802 O HIS A 216 40.993 -3.188 -3.686 1.00 17.78 O ATOM 2803 CB HIS A 216 39.334 -5.750 -2.848 1.00 17.32 C ATOM 2804 CG HIS A 216 40.000 -6.837 -3.647 1.00 17.64 C ATOM 2805 ND1 HIS A 216 41.363 -7.080 -3.571 1.00 18.08 N ATOM 2806 CD2 HIS A 216 39.506 -7.752 -4.543 1.00 17.73 C ATOM 2807 CE1 HIS A 216 41.639 -8.103 -4.400 1.00 18.41 C ATOM 2808 NE2 HIS A 216 40.542 -8.551 -5.017 1.00 18.22 N ATOM 0 H HIS A 216 37.851 -5.981 -4.833 1.00 16.44 H new ATOM 0 HA HIS A 216 38.516 -3.783 -3.195 1.00 16.98 H new ATOM 0 HB2 HIS A 216 39.982 -5.437 -2.029 1.00 17.32 H new ATOM 0 HB3 HIS A 216 38.413 -6.124 -2.401 1.00 17.32 H new ATOM 0 HD1 HIS A 216 42.034 -6.575 -2.992 1.00 18.08 H new ATOM 0 HD2 HIS A 216 38.470 -7.839 -4.836 1.00 17.73 H new ATOM 0 HE1 HIS A 216 42.627 -8.512 -4.549 1.00 18.41 H new ATOM 2816 N HIS A 217 40.736 -4.410 -5.492 1.00 17.71 N ATOM 2817 CA HIS A 217 42.006 -3.892 -6.077 1.00 18.35 C ATOM 2818 C HIS A 217 43.173 -4.243 -5.151 1.00 18.61 C ATOM 2819 O HIS A 217 44.148 -3.510 -5.155 1.00 18.73 O ATOM 2820 CB HIS A 217 41.919 -2.372 -6.232 1.00 18.76 C ATOM 2821 CG HIS A 217 40.634 -2.009 -6.924 1.00 19.04 C ATOM 2822 ND1 HIS A 217 39.901 -0.884 -6.580 1.00 19.43 N ATOM 2823 CD2 HIS A 217 39.939 -2.611 -7.944 1.00 19.13 C ATOM 2824 CE1 HIS A 217 38.819 -0.843 -7.380 1.00 19.72 C ATOM 2825 NE2 HIS A 217 38.794 -1.873 -8.230 1.00 19.56 N ATOM 2826 OXT HIS A 217 43.070 -5.238 -4.453 1.00 18.79 O ATOM 0 H HIS A 217 40.235 -5.084 -6.070 1.00 17.71 H new ATOM 0 HA HIS A 217 42.165 -4.347 -7.055 1.00 18.35 H new ATOM 0 HB2 HIS A 217 41.965 -1.893 -5.254 1.00 18.76 H new ATOM 0 HB3 HIS A 217 42.770 -2.005 -6.807 1.00 18.76 H new ATOM 0 HD2 HIS A 217 40.236 -3.519 -8.448 1.00 19.13 H new ATOM 0 HE1 HIS A 217 38.064 -0.072 -7.339 1.00 19.72 H new ATOM 0 HE2 HIS A 217 38.087 -2.075 -8.937 1.00 19.56 H new TER 2834 HIS A 217 ATOM 2835 N GLY B 572 -8.925 -19.158 1.840 1.00 1.92 N ATOM 2836 CA GLY B 572 -8.206 -17.906 1.468 1.00 1.45 C ATOM 2837 C GLY B 572 -6.739 -18.228 1.175 1.00 1.26 C ATOM 2838 O GLY B 572 -6.024 -18.733 2.017 1.00 1.57 O ATOM 0 HA2 GLY B 572 -8.672 -17.453 0.593 1.00 1.45 H new ATOM 0 HA3 GLY B 572 -8.275 -17.180 2.278 1.00 1.45 H new ATOM 2844 N GLN B 573 -6.285 -17.940 -0.015 1.00 1.57 N ATOM 2845 CA GLN B 573 -4.864 -18.229 -0.362 1.00 1.66 C ATOM 2846 C GLN B 573 -4.036 -16.949 -0.234 1.00 1.03 C ATOM 2847 O GLN B 573 -2.910 -16.975 0.222 1.00 0.62 O ATOM 2848 CB GLN B 573 -4.786 -18.745 -1.801 1.00 2.17 C ATOM 2849 CG GLN B 573 -4.371 -20.218 -1.797 1.00 2.81 C ATOM 2850 CD GLN B 573 -5.617 -21.101 -1.884 1.00 3.07 C ATOM 2851 OE1 GLN B 573 -6.712 -20.657 -1.602 1.00 3.50 O ATOM 2852 NE2 GLN B 573 -5.497 -22.343 -2.267 1.00 3.39 N ATOM 0 H GLN B 573 -6.837 -17.517 -0.762 1.00 1.57 H new ATOM 0 HA GLN B 573 -4.471 -18.985 0.318 1.00 1.66 H new ATOM 0 HB2 GLN B 573 -5.752 -18.630 -2.292 1.00 2.17 H new ATOM 0 HB3 GLN B 573 -4.067 -18.156 -2.371 1.00 2.17 H new ATOM 0 HG2 GLN B 573 -3.709 -20.422 -2.638 1.00 2.81 H new ATOM 0 HG3 GLN B 573 -3.813 -20.447 -0.889 1.00 2.81 H new ATOM 0 HE21 GLN B 573 -4.578 -22.717 -2.504 1.00 3.39 H new ATOM 0 HE22 GLN B 573 -6.322 -22.939 -2.329 1.00 3.39 H new ATOM 2861 N VAL B 574 -4.581 -15.831 -0.634 1.00 1.15 N ATOM 2862 CA VAL B 574 -3.814 -14.553 -0.532 1.00 0.61 C ATOM 2863 C VAL B 574 -3.327 -14.363 0.900 1.00 0.56 C ATOM 2864 O VAL B 574 -3.840 -14.957 1.828 1.00 1.51 O ATOM 2865 CB VAL B 574 -4.696 -13.365 -0.930 1.00 0.58 C ATOM 2866 CG1 VAL B 574 -4.793 -13.286 -2.455 1.00 0.67 C ATOM 2867 CG2 VAL B 574 -6.098 -13.536 -0.338 1.00 0.52 C ATOM 0 H VAL B 574 -5.519 -15.746 -1.025 1.00 1.15 H new ATOM 0 HA VAL B 574 -2.961 -14.602 -1.209 1.00 0.61 H new ATOM 0 HB VAL B 574 -4.253 -12.447 -0.545 1.00 0.58 H new ATOM 0 HG11 VAL B 574 -5.421 -12.440 -2.736 1.00 0.67 H new ATOM 0 HG12 VAL B 574 -3.797 -13.154 -2.877 1.00 0.67 H new ATOM 0 HG13 VAL B 574 -5.231 -14.207 -2.840 1.00 0.67 H new ATOM 0 HG21 VAL B 574 -6.720 -12.688 -0.625 1.00 0.52 H new ATOM 0 HG22 VAL B 574 -6.543 -14.457 -0.716 1.00 0.52 H new ATOM 0 HG23 VAL B 574 -6.031 -13.585 0.749 1.00 0.52 H new ATOM 2877 N GLY B 575 -2.334 -13.542 1.085 1.00 0.64 N ATOM 2878 CA GLY B 575 -1.806 -13.315 2.451 1.00 0.45 C ATOM 2879 C GLY B 575 -0.675 -14.310 2.713 1.00 0.42 C ATOM 2880 O GLY B 575 0.422 -13.938 3.080 1.00 0.45 O ATOM 0 H GLY B 575 -1.866 -13.018 0.346 1.00 0.64 H new ATOM 0 HA2 GLY B 575 -1.440 -12.293 2.549 1.00 0.45 H new ATOM 0 HA3 GLY B 575 -2.599 -13.442 3.188 1.00 0.45 H new ATOM 2884 N ARG B 576 -0.934 -15.575 2.521 1.00 0.46 N ATOM 2885 CA ARG B 576 0.123 -16.597 2.751 1.00 0.45 C ATOM 2886 C ARG B 576 1.213 -16.431 1.691 1.00 0.41 C ATOM 2887 O ARG B 576 2.380 -16.659 1.941 1.00 0.44 O ATOM 2888 CB ARG B 576 -0.492 -17.995 2.642 1.00 0.49 C ATOM 2889 CG ARG B 576 -0.784 -18.540 4.042 1.00 0.63 C ATOM 2890 CD ARG B 576 0.527 -18.709 4.812 1.00 0.78 C ATOM 2891 NE ARG B 576 0.502 -19.996 5.562 1.00 1.25 N ATOM 2892 CZ ARG B 576 1.620 -20.607 5.846 1.00 1.84 C ATOM 2893 NH1 ARG B 576 2.473 -20.878 4.896 1.00 2.72 N ATOM 2894 NH2 ARG B 576 1.885 -20.945 7.078 1.00 2.34 N ATOM 0 H ARG B 576 -1.834 -15.944 2.214 1.00 0.46 H new ATOM 0 HA ARG B 576 0.554 -16.470 3.744 1.00 0.45 H new ATOM 0 HB2 ARG B 576 -1.411 -17.954 2.058 1.00 0.49 H new ATOM 0 HB3 ARG B 576 0.190 -18.663 2.116 1.00 0.49 H new ATOM 0 HG2 ARG B 576 -1.446 -17.859 4.577 1.00 0.63 H new ATOM 0 HG3 ARG B 576 -1.301 -19.497 3.970 1.00 0.63 H new ATOM 0 HD2 ARG B 576 1.371 -18.695 4.122 1.00 0.78 H new ATOM 0 HD3 ARG B 576 0.665 -17.877 5.502 1.00 0.78 H new ATOM 0 HE ARG B 576 -0.388 -20.400 5.853 1.00 1.25 H new ATOM 0 HH11 ARG B 576 2.266 -20.612 3.933 1.00 2.72 H new ATOM 0 HH12 ARG B 576 3.347 -21.355 5.116 1.00 2.72 H new ATOM 0 HH21 ARG B 576 1.218 -20.732 7.820 1.00 2.34 H new ATOM 0 HH22 ARG B 576 2.759 -21.422 7.299 1.00 2.34 H new ATOM 2908 N GLN B 577 0.837 -16.030 0.507 1.00 0.40 N ATOM 2909 CA GLN B 577 1.842 -15.841 -0.576 1.00 0.41 C ATOM 2910 C GLN B 577 2.326 -14.390 -0.563 1.00 0.37 C ATOM 2911 O GLN B 577 3.460 -14.098 -0.890 1.00 0.38 O ATOM 2912 CB GLN B 577 1.195 -16.154 -1.928 1.00 0.48 C ATOM 2913 CG GLN B 577 1.295 -17.656 -2.206 1.00 0.60 C ATOM 2914 CD GLN B 577 -0.094 -18.288 -2.096 1.00 0.92 C ATOM 2915 OE1 GLN B 577 -1.077 -17.696 -2.493 1.00 1.59 O ATOM 2916 NE2 GLN B 577 -0.217 -19.476 -1.570 1.00 1.57 N ATOM 0 H GLN B 577 -0.127 -15.825 0.243 1.00 0.40 H new ATOM 0 HA GLN B 577 2.688 -16.510 -0.416 1.00 0.41 H new ATOM 0 HB2 GLN B 577 0.150 -15.843 -1.924 1.00 0.48 H new ATOM 0 HB3 GLN B 577 1.692 -15.593 -2.720 1.00 0.48 H new ATOM 0 HG2 GLN B 577 1.706 -17.826 -3.201 1.00 0.60 H new ATOM 0 HG3 GLN B 577 1.977 -18.124 -1.495 1.00 0.60 H new ATOM 0 HE21 GLN B 577 0.608 -19.974 -1.236 1.00 1.57 H new ATOM 0 HE22 GLN B 577 -1.138 -19.907 -1.493 1.00 1.57 H new ATOM 2925 N LEU B 578 1.472 -13.477 -0.185 1.00 0.35 N ATOM 2926 CA LEU B 578 1.879 -12.044 -0.146 1.00 0.33 C ATOM 2927 C LEU B 578 3.131 -11.895 0.722 1.00 0.34 C ATOM 2928 O LEU B 578 3.913 -10.982 0.547 1.00 0.37 O ATOM 2929 CB LEU B 578 0.744 -11.206 0.449 1.00 0.34 C ATOM 2930 CG LEU B 578 0.047 -10.413 -0.660 1.00 0.38 C ATOM 2931 CD1 LEU B 578 -1.274 -11.092 -1.024 1.00 0.64 C ATOM 2932 CD2 LEU B 578 -0.233 -8.991 -0.168 1.00 0.84 C ATOM 0 H LEU B 578 0.510 -13.662 0.098 1.00 0.35 H new ATOM 0 HA LEU B 578 2.093 -11.699 -1.158 1.00 0.33 H new ATOM 0 HB2 LEU B 578 0.026 -11.854 0.951 1.00 0.34 H new ATOM 0 HB3 LEU B 578 1.139 -10.525 1.202 1.00 0.34 H new ATOM 0 HG LEU B 578 0.691 -10.377 -1.539 1.00 0.38 H new ATOM 0 HD11 LEU B 578 -1.769 -10.526 -1.813 1.00 0.64 H new ATOM 0 HD12 LEU B 578 -1.078 -12.106 -1.373 1.00 0.64 H new ATOM 0 HD13 LEU B 578 -1.918 -11.129 -0.146 1.00 0.64 H new ATOM 0 HD21 LEU B 578 -0.729 -8.424 -0.956 1.00 0.84 H new ATOM 0 HD22 LEU B 578 -0.876 -9.030 0.711 1.00 0.84 H new ATOM 0 HD23 LEU B 578 0.707 -8.504 0.092 1.00 0.84 H new ATOM 2944 N ALA B 579 3.329 -12.784 1.659 1.00 0.33 N ATOM 2945 CA ALA B 579 4.531 -12.689 2.533 1.00 0.36 C ATOM 2946 C ALA B 579 5.713 -13.372 1.842 1.00 0.37 C ATOM 2947 O ALA B 579 6.849 -12.966 1.987 1.00 0.42 O ATOM 2948 CB ALA B 579 4.248 -13.385 3.866 1.00 0.40 C ATOM 0 H ALA B 579 2.710 -13.571 1.856 1.00 0.33 H new ATOM 0 HA ALA B 579 4.769 -11.641 2.715 1.00 0.36 H new ATOM 0 HB1 ALA B 579 5.127 -13.316 4.506 1.00 0.40 H new ATOM 0 HB2 ALA B 579 3.403 -12.902 4.357 1.00 0.40 H new ATOM 0 HB3 ALA B 579 4.012 -14.434 3.686 1.00 0.40 H new ATOM 2954 N ILE B 580 5.453 -14.406 1.089 1.00 0.36 N ATOM 2955 CA ILE B 580 6.561 -15.114 0.387 1.00 0.40 C ATOM 2956 C ILE B 580 7.324 -14.117 -0.487 1.00 0.38 C ATOM 2957 O ILE B 580 8.528 -13.993 -0.395 1.00 0.38 O ATOM 2958 CB ILE B 580 5.981 -16.224 -0.492 1.00 0.44 C ATOM 2959 CG1 ILE B 580 5.902 -17.522 0.315 1.00 0.60 C ATOM 2960 CG2 ILE B 580 6.883 -16.436 -1.709 1.00 0.48 C ATOM 2961 CD1 ILE B 580 4.699 -18.342 -0.153 1.00 1.41 C ATOM 0 H ILE B 580 4.522 -14.791 0.930 1.00 0.36 H new ATOM 0 HA ILE B 580 7.239 -15.550 1.121 1.00 0.40 H new ATOM 0 HB ILE B 580 4.983 -15.940 -0.825 1.00 0.44 H new ATOM 0 HG12 ILE B 580 6.819 -18.098 0.189 1.00 0.60 H new ATOM 0 HG13 ILE B 580 5.811 -17.297 1.378 1.00 0.60 H new ATOM 0 HG21 ILE B 580 6.470 -17.227 -2.335 1.00 0.48 H new ATOM 0 HG22 ILE B 580 6.942 -15.512 -2.284 1.00 0.48 H new ATOM 0 HG23 ILE B 580 7.881 -16.721 -1.377 1.00 0.48 H new ATOM 0 HD11 ILE B 580 4.643 -19.266 0.422 1.00 1.41 H new ATOM 0 HD12 ILE B 580 3.786 -17.766 -0.004 1.00 1.41 H new ATOM 0 HD13 ILE B 580 4.810 -18.579 -1.211 1.00 1.41 H new ATOM 2973 N ILE B 581 6.633 -13.405 -1.333 1.00 0.39 N ATOM 2974 CA ILE B 581 7.324 -12.416 -2.209 1.00 0.38 C ATOM 2975 C ILE B 581 8.133 -11.446 -1.346 1.00 0.38 C ATOM 2976 O ILE B 581 9.141 -10.923 -1.770 1.00 0.38 O ATOM 2977 CB ILE B 581 6.289 -11.626 -3.011 1.00 0.38 C ATOM 2978 CG1 ILE B 581 5.305 -10.960 -2.050 1.00 0.47 C ATOM 2979 CG2 ILE B 581 5.535 -12.572 -3.943 1.00 0.44 C ATOM 2980 CD1 ILE B 581 4.019 -10.609 -2.797 1.00 0.46 C ATOM 0 H ILE B 581 5.622 -13.464 -1.456 1.00 0.39 H new ATOM 0 HA ILE B 581 7.989 -12.946 -2.891 1.00 0.38 H new ATOM 0 HB ILE B 581 6.792 -10.862 -3.604 1.00 0.38 H new ATOM 0 HG12 ILE B 581 5.084 -11.629 -1.218 1.00 0.47 H new ATOM 0 HG13 ILE B 581 5.748 -10.059 -1.625 1.00 0.47 H new ATOM 0 HG21 ILE B 581 4.797 -12.008 -4.514 1.00 0.44 H new ATOM 0 HG22 ILE B 581 6.239 -13.046 -4.627 1.00 0.44 H new ATOM 0 HG23 ILE B 581 5.030 -13.337 -3.354 1.00 0.44 H new ATOM 0 HD11 ILE B 581 3.318 -10.134 -2.111 1.00 0.46 H new ATOM 0 HD12 ILE B 581 4.248 -9.924 -3.614 1.00 0.46 H new ATOM 0 HD13 ILE B 581 3.573 -11.518 -3.200 1.00 0.46 H new ATOM 2992 N GLY B 582 7.695 -11.199 -0.140 1.00 0.41 N ATOM 2993 CA GLY B 582 8.433 -10.258 0.754 1.00 0.43 C ATOM 2994 C GLY B 582 9.908 -10.659 0.843 1.00 0.43 C ATOM 2995 O GLY B 582 10.790 -9.827 0.769 1.00 0.44 O ATOM 0 H GLY B 582 6.855 -11.610 0.266 1.00 0.41 H new ATOM 0 HA2 GLY B 582 8.348 -9.240 0.373 1.00 0.43 H new ATOM 0 HA3 GLY B 582 7.986 -10.264 1.748 1.00 0.43 H new ATOM 2999 N ASP B 583 10.185 -11.923 1.005 1.00 0.47 N ATOM 3000 CA ASP B 583 11.605 -12.369 1.101 1.00 0.54 C ATOM 3001 C ASP B 583 12.377 -11.905 -0.137 1.00 0.51 C ATOM 3002 O ASP B 583 13.354 -11.190 -0.039 1.00 0.57 O ATOM 3003 CB ASP B 583 11.654 -13.896 1.190 1.00 0.65 C ATOM 3004 CG ASP B 583 12.944 -14.327 1.892 1.00 1.08 C ATOM 3005 OD1 ASP B 583 13.678 -13.456 2.328 1.00 1.64 O ATOM 3006 OD2 ASP B 583 13.176 -15.522 1.981 1.00 1.66 O ATOM 0 H ASP B 583 9.491 -12.667 1.075 1.00 0.47 H new ATOM 0 HA ASP B 583 12.060 -11.936 1.992 1.00 0.54 H new ATOM 0 HB2 ASP B 583 10.788 -14.267 1.739 1.00 0.65 H new ATOM 0 HB3 ASP B 583 11.609 -14.330 0.191 1.00 0.65 H new ATOM 3011 N ASP B 584 11.946 -12.307 -1.301 1.00 0.47 N ATOM 3012 CA ASP B 584 12.654 -11.893 -2.547 1.00 0.48 C ATOM 3013 C ASP B 584 12.723 -10.363 -2.632 1.00 0.43 C ATOM 3014 O ASP B 584 13.565 -9.811 -3.313 1.00 0.50 O ATOM 3015 CB ASP B 584 11.898 -12.434 -3.762 1.00 0.50 C ATOM 3016 CG ASP B 584 12.899 -12.863 -4.837 1.00 0.83 C ATOM 3017 OD1 ASP B 584 14.021 -12.386 -4.798 1.00 1.41 O ATOM 3018 OD2 ASP B 584 12.525 -13.660 -5.682 1.00 1.52 O ATOM 0 H ASP B 584 11.133 -12.906 -1.444 1.00 0.47 H new ATOM 0 HA ASP B 584 13.667 -12.295 -2.531 1.00 0.48 H new ATOM 0 HB2 ASP B 584 11.277 -13.281 -3.470 1.00 0.50 H new ATOM 0 HB3 ASP B 584 11.229 -11.670 -4.157 1.00 0.50 H new ATOM 3023 N ILE B 585 11.847 -9.671 -1.953 1.00 0.36 N ATOM 3024 CA ILE B 585 11.870 -8.183 -2.004 1.00 0.34 C ATOM 3025 C ILE B 585 11.822 -7.621 -0.582 1.00 0.35 C ATOM 3026 O ILE B 585 10.983 -6.806 -0.254 1.00 0.46 O ATOM 3027 CB ILE B 585 10.655 -7.685 -2.790 1.00 0.36 C ATOM 3028 CG1 ILE B 585 9.376 -8.217 -2.140 1.00 0.46 C ATOM 3029 CG2 ILE B 585 10.735 -8.192 -4.231 1.00 0.45 C ATOM 3030 CD1 ILE B 585 8.398 -7.064 -1.912 1.00 0.37 C ATOM 0 H ILE B 585 11.117 -10.074 -1.365 1.00 0.36 H new ATOM 0 HA ILE B 585 12.785 -7.849 -2.494 1.00 0.34 H new ATOM 0 HB ILE B 585 10.644 -6.595 -2.786 1.00 0.36 H new ATOM 0 HG12 ILE B 585 8.919 -8.974 -2.778 1.00 0.46 H new ATOM 0 HG13 ILE B 585 9.612 -8.700 -1.192 1.00 0.46 H new ATOM 0 HG21 ILE B 585 9.869 -7.837 -4.790 1.00 0.45 H new ATOM 0 HG22 ILE B 585 11.647 -7.819 -4.698 1.00 0.45 H new ATOM 0 HG23 ILE B 585 10.746 -9.282 -4.233 1.00 0.45 H new ATOM 0 HD11 ILE B 585 7.488 -7.445 -1.449 1.00 0.37 H new ATOM 0 HD12 ILE B 585 8.856 -6.323 -1.257 1.00 0.37 H new ATOM 0 HD13 ILE B 585 8.152 -6.601 -2.868 1.00 0.37 H new ATOM 3042 N ASN B 586 12.716 -8.049 0.267 1.00 0.41 N ATOM 3043 CA ASN B 586 12.719 -7.538 1.667 1.00 0.43 C ATOM 3044 C ASN B 586 13.829 -6.498 1.830 1.00 0.41 C ATOM 3045 O ASN B 586 14.997 -6.828 1.888 1.00 0.53 O ATOM 3046 CB ASN B 586 12.963 -8.699 2.633 1.00 0.57 C ATOM 3047 CG ASN B 586 12.526 -8.292 4.041 1.00 0.80 C ATOM 3048 OD1 ASN B 586 11.646 -7.470 4.202 1.00 1.32 O ATOM 3049 ND2 ASN B 586 13.107 -8.837 5.074 1.00 1.51 N ATOM 0 H ASN B 586 13.444 -8.730 0.052 1.00 0.41 H new ATOM 0 HA ASN B 586 11.756 -7.078 1.887 1.00 0.43 H new ATOM 0 HB2 ASN B 586 12.407 -9.579 2.308 1.00 0.57 H new ATOM 0 HB3 ASN B 586 14.019 -8.971 2.633 1.00 0.57 H new ATOM 0 HD21 ASN B 586 12.822 -8.573 6.017 1.00 1.51 H new ATOM 0 HD22 ASN B 586 13.846 -9.527 4.938 1.00 1.51 H new ATOM 3056 N ARG B 587 13.474 -5.244 1.906 1.00 0.38 N ATOM 3057 CA ARG B 587 14.511 -4.186 2.067 1.00 0.44 C ATOM 3058 C ARG B 587 15.545 -4.309 0.945 1.00 0.61 C ATOM 3059 O ARG B 587 16.554 -4.958 1.166 1.00 1.24 O ATOM 3060 CB ARG B 587 15.203 -4.353 3.421 1.00 0.48 C ATOM 3061 CG ARG B 587 16.305 -3.302 3.564 1.00 1.06 C ATOM 3062 CD ARG B 587 17.655 -3.997 3.744 1.00 1.37 C ATOM 3063 NE ARG B 587 18.547 -3.141 4.576 1.00 1.52 N ATOM 3064 CZ ARG B 587 19.570 -3.668 5.191 1.00 2.03 C ATOM 3065 NH1 ARG B 587 20.565 -4.156 4.501 1.00 2.64 N ATOM 3066 NH2 ARG B 587 19.598 -3.708 6.495 1.00 2.64 N ATOM 3067 OXT ARG B 587 15.309 -3.754 -0.115 1.00 1.31 O ATOM 0 H ARG B 587 12.512 -4.907 1.864 1.00 0.38 H new ATOM 0 HA ARG B 587 14.040 -3.204 2.019 1.00 0.44 H new ATOM 0 HB2 ARG B 587 14.478 -4.247 4.228 1.00 0.48 H new ATOM 0 HB3 ARG B 587 15.627 -5.354 3.504 1.00 0.48 H new ATOM 0 HG2 ARG B 587 16.328 -2.662 2.682 1.00 1.06 H new ATOM 0 HG3 ARG B 587 16.099 -2.658 4.419 1.00 1.06 H new ATOM 0 HD2 ARG B 587 17.516 -4.967 4.221 1.00 1.37 H new ATOM 0 HD3 ARG B 587 18.113 -4.182 2.772 1.00 1.37 H new ATOM 0 HE ARG B 587 18.358 -2.143 4.665 1.00 1.52 H new ATOM 0 HH11 ARG B 587 20.542 -4.125 3.482 1.00 2.64 H new ATOM 0 HH12 ARG B 587 21.365 -4.568 4.981 1.00 2.64 H new ATOM 0 HH21 ARG B 587 18.820 -3.327 7.034 1.00 2.64 H new ATOM 0 HH22 ARG B 587 20.398 -4.120 6.976 1.00 2.64 H new TER 3081 ARG B 587 END