USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) HEADER TRANSFERASE 21-FEB-97 1FYC TITLE INNER LIPOYL DOMAIN FROM HUMAN PYRUVATE DEHYDROGENASE (PDH) TITLE 2 COMPLEX, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: LIPOYL DOMAIN; COMPND 5 EC: 2.3.1.12; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: DIHYDROLIPOAMIDE ACETYLTRANSFERASE SUBUNIT COMPND 8 OF THE PYRUVATE DEHYDROGENASE (PDH) MULTIENZYME COMPLEX COMPND 9 (UNLIPOYLATED DOMAIN) SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: LIVER; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: HLIP; SOURCE 0 OTHER_DETAILS: EXPRESSED AS A GST FUSION PROTEIN KEYWDS TRANSFERASE, ACYLTRANSFERASE DIHYDROLIPOAMIDE, SUBUNIT, KEYWDS 2 UNLIPOYLATED EXPDTA SOLUTION NMR AUTHOR M.J.HOWARD,C.FULLER,R.W.BROADHURST,J.QUINN,S.J.YEAMAN, AUTHOR 2 R.N.PERHAM REVDAT 2 24-FEB-09 1FYC 1 VERSN REVDAT 1 04-SEP-97 1FYC 0 JRNL AUTH M.J.HOWARD,C.FULLER,R.W.BROADHURST,R.N.PERHAM, JRNL AUTH 2 J.G.TANG,J.QUINN,A.G.DIAMOND,S.J.YEAMAN JRNL TITL THREE-DIMENSIONAL STRUCTURE OF THE MAJOR JRNL TITL 2 AUTOANTIGEN IN PRIMARY BILIARY CIRRHOSIS. JRNL REF GASTROENTEROLOGY V. 115 139 1998 JRNL REFN ISSN 0016-5085 JRNL PMID 9649469 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAM BE FOUND IN REMARK 3 P.M. RICAUD ET AL., JOURNAL OF MOLECULAR BIOLOGY, 264, 179- REMARK 3 190, 1996 REMARK 4 REMARK 4 1FYC 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) : 308 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY, TCOSY, HSQC- REMARK 210 NOESY, HSQC-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AM500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG 3.3 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MEAN STRUCTURE FROM 26 CHOSEN REMARK 210 HAVING LEAST RESTRAINT REMARK 210 VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 2 -165.61 -56.03 REMARK 500 TYR A 6 151.58 59.89 REMARK 500 HIS A 9 82.83 177.82 REMARK 500 ALA A 16 -75.62 -109.42 REMARK 500 LEU A 17 5.18 80.61 REMARK 500 SER A 18 59.00 -175.05 REMARK 500 THR A 22 27.17 -150.51 REMARK 500 MET A 23 75.32 -161.48 REMARK 500 TRP A 29 44.92 -172.46 REMARK 500 GLU A 30 94.95 -67.87 REMARK 500 VAL A 33 137.81 -22.76 REMARK 500 GLU A 35 -139.20 -69.34 REMARK 500 LYS A 36 97.68 158.76 REMARK 500 GLU A 39 20.97 -149.65 REMARK 500 LEU A 42 -169.75 -67.46 REMARK 500 ALA A 44 95.89 -47.57 REMARK 500 THR A 48 -41.57 -143.78 REMARK 500 ASP A 49 -24.56 161.81 REMARK 500 GLU A 56 107.01 -42.57 REMARK 500 GLU A 59 78.97 42.19 REMARK 500 GLU A 60 -164.63 172.57 REMARK 500 LEU A 63 72.50 55.75 REMARK 500 VAL A 75 168.65 168.55 REMARK 500 LEU A 77 -91.49 -150.70 REMARK 500 THR A 79 88.75 -29.14 REMARK 500 LEU A 81 -43.47 -132.23 REMARK 500 VAL A 85 -33.35 -170.37 REMARK 500 GLU A 86 28.83 81.69 REMARK 500 LYS A 87 153.38 -43.16 REMARK 500 ALA A 89 138.28 75.17 REMARK 500 ASP A 90 103.35 -178.09 REMARK 500 SER A 92 103.35 165.33 REMARK 500 ALA A 93 -72.06 -50.42 REMARK 500 PHE A 94 75.82 55.86 REMARK 500 PRO A 99 -168.47 -78.44 REMARK 500 THR A 100 -77.86 -124.05 REMARK 500 ASP A 104 99.31 -66.76 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 28 0.27 SIDE_CHAIN REMARK 500 ARG A 73 0.14 SIDE_CHAIN REMARK 500 ARG A 98 0.21 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1FYC A 1 106 UNP P10515 ODP2_HUMAN 179 282 SEQADV 1FYC ASN A 3 UNP P10515 INSERTION SEQADV 1FYC MET A 4 UNP P10515 INSERTION SEQRES 1 A 106 GLY SER ASN MET SER TYR PRO PRO HIS MET GLN VAL LEU SEQRES 2 A 106 LEU PRO ALA LEU SER PRO THR MET THR MET GLY THR VAL SEQRES 3 A 106 GLN ARG TRP GLU LYS LYS VAL GLY GLU LYS LEU SER GLU SEQRES 4 A 106 GLY ASP LEU LEU ALA GLU ILE GLU THR ASP LYS ALA THR SEQRES 5 A 106 ILE GLY PHE GLU VAL GLN GLU GLU GLY TYR LEU ALA LYS SEQRES 6 A 106 ILE LEU VAL PRO GLU GLY THR ARG ASP VAL PRO LEU GLY SEQRES 7 A 106 THR PRO LEU CYS ILE ILE VAL GLU LYS GLU ALA ASP ILE SEQRES 8 A 106 SER ALA PHE ALA ASP TYR ARG PRO THR GLU VAL THR ASP SEQRES 9 A 106 LEU LYS SHEET 1 S1 4 MET A 10 LEU A 13 0 SHEET 2 S1 4 PRO A 80 VAL A 85 -1 SHEET 3 S1 4 GLU A 60 ILE A 66 -1 SHEET 4 S1 4 GLY A 34 SER A 38 -1 SHEET 1 S2 4 THR A 52 VAL A 57 0 SHEET 2 S2 4 ASP A 41 THR A 48 -1 SHEET 3 S2 4 THR A 25 TRP A 29 -1 SHEET 4 S2 4 THR A 72 VAL A 75 -1 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.14) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -30:sc= 0.233 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-3.1!) USER MOD Single : A 10 MET CE :methyl -133:sc= -5.32! (180deg=-6.51!) USER MOD Single : A 11 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.2!) USER MOD Single : A 18 SER OG : rot 66:sc= 0.0652 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 174:sc= -0.0121 (180deg=-0.0709) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 23 MET CE :methyl -166:sc= -0.151 (180deg=-0.868) USER MOD Single : A 25 THR OG1 : rot 29:sc= 0.0261 USER MOD Single : A 27 GLN : amide:sc= -3.78! C(o=-3.8!,f=-9.5!) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -3.55! (180deg=-3.94!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.225 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 52:sc= 0.669 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0182 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 60:sc= -5.08! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 82 CYS SG : rot -9:sc= -9.25! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 61:sc= 0.95 USER MOD Single : A 97 TYR OH : rot 58:sc= 1.18 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.838 9.661 -4.368 1.00 0.00 N ATOM 2 CA GLY A 1 23.175 10.026 -3.040 1.00 0.00 C ATOM 3 C GLY A 1 21.713 9.793 -2.864 1.00 0.00 C ATOM 4 O GLY A 1 21.033 10.539 -2.187 1.00 0.00 O ATOM 0 H1 GLY A 1 24.852 9.886 -4.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.716 8.644 -4.549 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.397 10.205 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.691 9.475 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.361 11.085 -2.861 1.00 0.00 H new ATOM 10 N SER A 2 21.191 8.758 -3.463 1.00 0.00 N ATOM 11 CA SER A 2 19.735 8.472 -3.324 1.00 0.00 C ATOM 12 C SER A 2 19.378 8.352 -1.841 1.00 0.00 C ATOM 13 O SER A 2 20.141 8.733 -0.976 1.00 0.00 O ATOM 14 CB SER A 2 19.404 7.161 -4.036 1.00 0.00 C ATOM 15 OG SER A 2 19.777 7.262 -5.404 1.00 0.00 O ATOM 0 H SER A 2 21.710 8.098 -4.043 1.00 0.00 H new ATOM 0 HA SER A 2 19.161 9.283 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.933 6.333 -3.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.338 6.948 -3.953 1.00 0.00 H new ATOM 0 HG SER A 2 19.568 6.422 -5.863 1.00 0.00 H new ATOM 21 N ASN A 3 18.222 7.825 -1.541 1.00 0.00 N ATOM 22 CA ASN A 3 17.817 7.681 -0.114 1.00 0.00 C ATOM 23 C ASN A 3 16.844 6.509 0.024 1.00 0.00 C ATOM 24 O ASN A 3 15.644 6.669 -0.082 1.00 0.00 O ATOM 25 CB ASN A 3 17.136 8.969 0.355 1.00 0.00 C ATOM 26 CG ASN A 3 17.332 9.130 1.863 1.00 0.00 C ATOM 27 OD1 ASN A 3 16.390 9.390 2.586 1.00 0.00 O ATOM 28 ND2 ASN A 3 18.525 8.987 2.373 1.00 0.00 N ATOM 0 H ASN A 3 17.541 7.488 -2.222 1.00 0.00 H new ATOM 0 HA ASN A 3 18.700 7.494 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.556 9.827 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 3 16.073 8.938 0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.666 9.093 3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 3 19.316 8.769 1.767 1.00 0.00 H new ATOM 35 N MET A 4 17.351 5.330 0.261 1.00 0.00 N ATOM 36 CA MET A 4 16.454 4.149 0.405 1.00 0.00 C ATOM 37 C MET A 4 16.828 3.377 1.672 1.00 0.00 C ATOM 38 O MET A 4 17.945 3.445 2.146 1.00 0.00 O ATOM 39 CB MET A 4 16.613 3.236 -0.813 1.00 0.00 C ATOM 40 CG MET A 4 18.078 3.223 -1.253 1.00 0.00 C ATOM 41 SD MET A 4 18.372 1.794 -2.325 1.00 0.00 S ATOM 42 CE MET A 4 17.987 2.606 -3.895 1.00 0.00 C ATOM 0 H MET A 4 18.347 5.134 0.361 1.00 0.00 H new ATOM 0 HA MET A 4 15.419 4.485 0.475 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.287 2.225 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.980 3.586 -1.629 1.00 0.00 H new ATOM 0 HG2 MET A 4 18.318 4.145 -1.783 1.00 0.00 H new ATOM 0 HG3 MET A 4 18.731 3.178 -0.381 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.105 1.894 -4.712 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.959 2.968 -3.875 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.664 3.446 -4.046 1.00 0.00 H new ATOM 52 N SER A 5 15.902 2.642 2.225 1.00 0.00 N ATOM 53 CA SER A 5 16.206 1.867 3.461 1.00 0.00 C ATOM 54 C SER A 5 15.084 0.859 3.722 1.00 0.00 C ATOM 55 O SER A 5 13.932 1.221 3.863 1.00 0.00 O ATOM 56 CB SER A 5 16.316 2.824 4.648 1.00 0.00 C ATOM 57 OG SER A 5 17.251 3.849 4.339 1.00 0.00 O ATOM 0 H SER A 5 14.949 2.545 1.875 1.00 0.00 H new ATOM 0 HA SER A 5 17.149 1.336 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.342 3.259 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.634 2.282 5.539 1.00 0.00 H new ATOM 0 HG SER A 5 17.935 3.496 3.732 1.00 0.00 H new ATOM 63 N TYR A 6 15.410 -0.403 3.787 1.00 0.00 N ATOM 64 CA TYR A 6 14.362 -1.431 4.040 1.00 0.00 C ATOM 65 C TYR A 6 13.312 -1.375 2.926 1.00 0.00 C ATOM 66 O TYR A 6 13.089 -0.335 2.338 1.00 0.00 O ATOM 67 CB TYR A 6 13.691 -1.156 5.387 1.00 0.00 C ATOM 68 CG TYR A 6 13.627 -2.435 6.188 1.00 0.00 C ATOM 69 CD1 TYR A 6 14.801 -3.142 6.473 1.00 0.00 C ATOM 70 CD2 TYR A 6 12.393 -2.913 6.645 1.00 0.00 C ATOM 71 CE1 TYR A 6 14.741 -4.328 7.215 1.00 0.00 C ATOM 72 CE2 TYR A 6 12.333 -4.099 7.387 1.00 0.00 C ATOM 73 CZ TYR A 6 13.507 -4.807 7.672 1.00 0.00 C ATOM 74 OH TYR A 6 13.448 -5.976 8.403 1.00 0.00 O ATOM 0 H TYR A 6 16.357 -0.766 3.676 1.00 0.00 H new ATOM 0 HA TYR A 6 14.821 -2.420 4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 6 14.250 -0.398 5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 6 12.687 -0.761 5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 6 15.753 -2.773 6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.487 -2.367 6.425 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.647 -4.874 7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.381 -4.468 7.740 1.00 0.00 H new ATOM 0 HH TYR A 6 12.517 -6.165 8.643 1.00 0.00 H new ATOM 84 N PRO A 7 12.696 -2.502 2.671 1.00 0.00 N ATOM 85 CA PRO A 7 11.659 -2.623 1.632 1.00 0.00 C ATOM 86 C PRO A 7 10.328 -2.053 2.136 1.00 0.00 C ATOM 87 O PRO A 7 10.087 -2.005 3.326 1.00 0.00 O ATOM 88 CB PRO A 7 11.556 -4.133 1.402 1.00 0.00 C ATOM 89 CG PRO A 7 12.101 -4.807 2.684 1.00 0.00 C ATOM 90 CD PRO A 7 12.978 -3.759 3.394 1.00 0.00 C ATOM 0 HA PRO A 7 11.898 -2.074 0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.523 -4.428 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 7 12.135 -4.433 0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.284 -5.130 3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.682 -5.696 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.724 -3.677 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 7 14.035 -4.021 3.340 1.00 0.00 H new ATOM 98 N PRO A 8 9.504 -1.636 1.209 1.00 0.00 N ATOM 99 CA PRO A 8 8.184 -1.060 1.520 1.00 0.00 C ATOM 100 C PRO A 8 7.182 -2.168 1.858 1.00 0.00 C ATOM 101 O PRO A 8 7.379 -3.320 1.525 1.00 0.00 O ATOM 102 CB PRO A 8 7.791 -0.346 0.224 1.00 0.00 C ATOM 103 CG PRO A 8 8.609 -1.013 -0.908 1.00 0.00 C ATOM 104 CD PRO A 8 9.812 -1.701 -0.235 1.00 0.00 C ATOM 0 HA PRO A 8 8.199 -0.393 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.721 -0.441 0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.011 0.720 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.001 -1.738 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.943 -0.271 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.922 -2.731 -0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.745 -1.188 -0.467 1.00 0.00 H new ATOM 112 N HIS A 9 6.109 -1.827 2.517 1.00 0.00 N ATOM 113 CA HIS A 9 5.094 -2.857 2.876 1.00 0.00 C ATOM 114 C HIS A 9 3.973 -2.204 3.686 1.00 0.00 C ATOM 115 O HIS A 9 3.962 -2.247 4.900 1.00 0.00 O ATOM 116 CB HIS A 9 5.753 -3.958 3.709 1.00 0.00 C ATOM 117 CG HIS A 9 5.293 -5.303 3.218 1.00 0.00 C ATOM 118 ND1 HIS A 9 6.100 -6.123 2.446 1.00 0.00 N ATOM 119 CD2 HIS A 9 4.113 -5.984 3.382 1.00 0.00 C ATOM 120 CE1 HIS A 9 5.401 -7.241 2.176 1.00 0.00 C ATOM 121 NE2 HIS A 9 4.183 -7.208 2.722 1.00 0.00 N ATOM 0 H HIS A 9 5.891 -0.879 2.823 1.00 0.00 H new ATOM 0 HA HIS A 9 4.680 -3.292 1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.838 -3.884 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 9 5.496 -3.836 4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 9 3.260 -5.625 3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.779 -8.065 1.589 1.00 0.00 H new ATOM 0 HE2 HIS A 9 3.460 -7.925 2.667 1.00 0.00 H new ATOM 129 N MET A 10 3.033 -1.598 3.019 1.00 0.00 N ATOM 130 CA MET A 10 1.909 -0.936 3.738 1.00 0.00 C ATOM 131 C MET A 10 0.961 -1.990 4.296 1.00 0.00 C ATOM 132 O MET A 10 0.046 -2.418 3.622 1.00 0.00 O ATOM 133 CB MET A 10 1.132 -0.062 2.761 1.00 0.00 C ATOM 134 CG MET A 10 1.639 1.381 2.842 1.00 0.00 C ATOM 135 SD MET A 10 3.255 1.503 2.037 1.00 0.00 S ATOM 136 CE MET A 10 4.265 1.149 3.496 1.00 0.00 C ATOM 0 H MET A 10 2.994 -1.532 2.002 1.00 0.00 H new ATOM 0 HA MET A 10 2.314 -0.333 4.550 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.249 -0.442 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 10 0.068 -0.097 2.994 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.930 2.054 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.716 1.692 3.884 1.00 0.00 H new ATOM 0 HE1 MET A 10 5.074 1.877 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.646 1.210 4.391 1.00 0.00 H new ATOM 0 HE3 MET A 10 4.685 0.147 3.413 1.00 0.00 H new ATOM 146 N GLN A 11 1.157 -2.404 5.518 1.00 0.00 N ATOM 147 CA GLN A 11 0.241 -3.424 6.099 1.00 0.00 C ATOM 148 C GLN A 11 -1.192 -3.042 5.788 1.00 0.00 C ATOM 149 O GLN A 11 -1.600 -1.910 5.954 1.00 0.00 O ATOM 150 CB GLN A 11 0.392 -3.486 7.618 1.00 0.00 C ATOM 151 CG GLN A 11 1.861 -3.305 8.005 1.00 0.00 C ATOM 152 CD GLN A 11 2.237 -4.330 9.077 1.00 0.00 C ATOM 153 OE1 GLN A 11 1.699 -5.418 9.109 1.00 0.00 O ATOM 154 NE2 GLN A 11 3.145 -4.025 9.963 1.00 0.00 N ATOM 0 H GLN A 11 1.904 -2.083 6.134 1.00 0.00 H new ATOM 0 HA GLN A 11 0.491 -4.393 5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.214 -2.709 8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.025 -4.443 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.497 -3.430 7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.028 -2.295 8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.597 -3.111 9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.403 -4.701 10.682 1.00 0.00 H new ATOM 163 N VAL A 12 -1.963 -3.984 5.362 1.00 0.00 N ATOM 164 CA VAL A 12 -3.372 -3.702 5.064 1.00 0.00 C ATOM 165 C VAL A 12 -4.015 -3.114 6.312 1.00 0.00 C ATOM 166 O VAL A 12 -4.902 -2.291 6.223 1.00 0.00 O ATOM 167 CB VAL A 12 -4.039 -5.022 4.669 1.00 0.00 C ATOM 168 CG1 VAL A 12 -3.471 -5.503 3.333 1.00 0.00 C ATOM 169 CG2 VAL A 12 -3.741 -6.070 5.739 1.00 0.00 C ATOM 0 H VAL A 12 -1.671 -4.949 5.206 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.481 -2.989 4.247 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.115 -4.873 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.947 -6.443 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.665 -4.755 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.396 -5.655 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.213 -7.014 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.663 -6.213 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.134 -5.733 6.698 1.00 0.00 H new ATOM 179 N LEU A 13 -3.558 -3.508 7.472 1.00 0.00 N ATOM 180 CA LEU A 13 -4.137 -2.958 8.732 1.00 0.00 C ATOM 181 C LEU A 13 -3.817 -1.467 8.853 1.00 0.00 C ATOM 182 O LEU A 13 -2.796 -0.998 8.389 1.00 0.00 O ATOM 183 CB LEU A 13 -3.552 -3.700 9.933 1.00 0.00 C ATOM 184 CG LEU A 13 -2.031 -3.603 9.903 1.00 0.00 C ATOM 185 CD1 LEU A 13 -1.525 -3.045 11.235 1.00 0.00 C ATOM 186 CD2 LEU A 13 -1.454 -4.999 9.680 1.00 0.00 C ATOM 0 H LEU A 13 -2.808 -4.187 7.601 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.219 -3.091 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.935 -3.272 10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.860 -4.745 9.913 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.718 -2.939 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.437 -2.977 11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.947 -2.054 11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.829 -3.707 12.046 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.366 -4.943 9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.766 -5.656 10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.818 -5.396 8.732 1.00 0.00 H new ATOM 198 N LEU A 14 -4.687 -0.721 9.478 1.00 0.00 N ATOM 199 CA LEU A 14 -4.449 0.741 9.641 1.00 0.00 C ATOM 200 C LEU A 14 -3.408 0.970 10.747 1.00 0.00 C ATOM 201 O LEU A 14 -3.566 0.478 11.847 1.00 0.00 O ATOM 202 CB LEU A 14 -5.761 1.419 10.039 1.00 0.00 C ATOM 203 CG LEU A 14 -6.293 2.238 8.861 1.00 0.00 C ATOM 204 CD1 LEU A 14 -5.215 3.214 8.387 1.00 0.00 C ATOM 205 CD2 LEU A 14 -6.666 1.296 7.714 1.00 0.00 C ATOM 0 H LEU A 14 -5.557 -1.064 9.885 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.083 1.160 8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.495 0.669 10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.601 2.066 10.902 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.174 2.797 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.595 3.797 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.947 3.885 9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.333 2.657 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.045 1.878 6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.784 0.738 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.435 0.600 8.050 1.00 0.00 H new ATOM 217 N PRO A 15 -2.375 1.711 10.428 1.00 0.00 N ATOM 218 CA PRO A 15 -1.298 2.021 11.385 1.00 0.00 C ATOM 219 C PRO A 15 -1.733 3.140 12.338 1.00 0.00 C ATOM 220 O PRO A 15 -1.377 4.288 12.164 1.00 0.00 O ATOM 221 CB PRO A 15 -0.146 2.486 10.491 1.00 0.00 C ATOM 222 CG PRO A 15 -0.787 2.959 9.164 1.00 0.00 C ATOM 223 CD PRO A 15 -2.180 2.306 9.090 1.00 0.00 C ATOM 0 HA PRO A 15 -1.028 1.173 12.015 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.410 3.295 10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.560 1.675 10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.867 4.046 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.175 2.664 8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.953 3.041 8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.223 1.548 8.307 1.00 0.00 H new ATOM 231 N ALA A 16 -2.498 2.814 13.344 1.00 0.00 N ATOM 232 CA ALA A 16 -2.952 3.860 14.305 1.00 0.00 C ATOM 233 C ALA A 16 -2.244 3.659 15.648 1.00 0.00 C ATOM 234 O ALA A 16 -1.333 4.385 15.992 1.00 0.00 O ATOM 235 CB ALA A 16 -4.465 3.749 14.504 1.00 0.00 C ATOM 0 H ALA A 16 -2.828 1.869 13.542 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.710 4.847 13.910 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.797 4.514 15.206 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.969 3.891 13.548 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.709 2.763 14.899 1.00 0.00 H new ATOM 241 N LEU A 17 -2.661 2.679 16.405 1.00 0.00 N ATOM 242 CA LEU A 17 -2.020 2.418 17.728 1.00 0.00 C ATOM 243 C LEU A 17 -2.580 3.384 18.774 1.00 0.00 C ATOM 244 O LEU A 17 -2.138 3.412 19.906 1.00 0.00 O ATOM 245 CB LEU A 17 -0.504 2.606 17.616 1.00 0.00 C ATOM 246 CG LEU A 17 0.206 1.540 18.452 1.00 0.00 C ATOM 247 CD1 LEU A 17 0.750 0.447 17.532 1.00 0.00 C ATOM 248 CD2 LEU A 17 1.364 2.183 19.218 1.00 0.00 C ATOM 0 H LEU A 17 -3.422 2.045 16.163 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.234 1.393 18.032 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.194 2.532 16.574 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.224 3.601 17.962 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.500 1.102 19.157 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.256 -0.312 18.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.074 -0.011 16.984 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.456 0.884 16.826 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.871 1.425 19.814 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.069 2.621 18.511 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.978 2.963 19.875 1.00 0.00 H new ATOM 260 N SER A 18 -3.553 4.172 18.409 1.00 0.00 N ATOM 261 CA SER A 18 -4.145 5.128 19.384 1.00 0.00 C ATOM 262 C SER A 18 -5.339 5.837 18.739 1.00 0.00 C ATOM 263 O SER A 18 -5.353 7.047 18.632 1.00 0.00 O ATOM 264 CB SER A 18 -3.094 6.163 19.787 1.00 0.00 C ATOM 265 OG SER A 18 -2.501 6.710 18.616 1.00 0.00 O ATOM 0 H SER A 18 -3.964 4.195 17.476 1.00 0.00 H new ATOM 0 HA SER A 18 -4.478 4.586 20.269 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.554 6.954 20.379 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.331 5.699 20.412 1.00 0.00 H new ATOM 0 HG SER A 18 -3.173 7.218 18.116 1.00 0.00 H new ATOM 271 N PRO A 19 -6.308 5.058 18.327 1.00 0.00 N ATOM 272 CA PRO A 19 -7.525 5.582 17.684 1.00 0.00 C ATOM 273 C PRO A 19 -8.492 6.118 18.741 1.00 0.00 C ATOM 274 O PRO A 19 -9.575 6.572 18.431 1.00 0.00 O ATOM 275 CB PRO A 19 -8.122 4.354 16.993 1.00 0.00 C ATOM 276 CG PRO A 19 -7.559 3.120 17.739 1.00 0.00 C ATOM 277 CD PRO A 19 -6.283 3.586 18.462 1.00 0.00 C ATOM 0 HA PRO A 19 -7.326 6.404 16.996 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.211 4.373 17.039 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.848 4.329 15.938 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.288 2.732 18.451 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.336 2.314 17.040 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.284 3.282 19.509 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.389 3.159 18.007 1.00 0.00 H new ATOM 285 N THR A 20 -8.115 6.057 19.988 1.00 0.00 N ATOM 286 CA THR A 20 -9.023 6.549 21.058 1.00 0.00 C ATOM 287 C THR A 20 -10.285 5.685 21.071 1.00 0.00 C ATOM 288 O THR A 20 -11.276 6.023 21.687 1.00 0.00 O ATOM 289 CB THR A 20 -9.401 8.006 20.780 1.00 0.00 C ATOM 290 OG1 THR A 20 -8.246 8.723 20.367 1.00 0.00 O ATOM 291 CG2 THR A 20 -9.970 8.639 22.051 1.00 0.00 C ATOM 0 H THR A 20 -7.220 5.689 20.310 1.00 0.00 H new ATOM 0 HA THR A 20 -8.523 6.488 22.025 1.00 0.00 H new ATOM 0 HB THR A 20 -10.153 8.042 19.991 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.487 9.656 20.187 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.239 9.676 21.852 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.856 8.089 22.366 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.221 8.604 22.842 1.00 0.00 H new ATOM 299 N MET A 21 -10.255 4.570 20.389 1.00 0.00 N ATOM 300 CA MET A 21 -11.452 3.682 20.357 1.00 0.00 C ATOM 301 C MET A 21 -11.009 2.235 20.129 1.00 0.00 C ATOM 302 O MET A 21 -9.851 1.900 20.275 1.00 0.00 O ATOM 303 CB MET A 21 -12.377 4.116 19.217 1.00 0.00 C ATOM 304 CG MET A 21 -13.600 4.830 19.795 1.00 0.00 C ATOM 305 SD MET A 21 -15.030 3.723 19.735 1.00 0.00 S ATOM 306 CE MET A 21 -14.798 2.965 21.361 1.00 0.00 C ATOM 0 H MET A 21 -9.453 4.237 19.853 1.00 0.00 H new ATOM 0 HA MET A 21 -11.983 3.754 21.306 1.00 0.00 H new ATOM 0 HB2 MET A 21 -11.845 4.779 18.535 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.690 3.247 18.638 1.00 0.00 H new ATOM 0 HG2 MET A 21 -13.405 5.134 20.824 1.00 0.00 H new ATOM 0 HG3 MET A 21 -13.806 5.738 19.228 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.643 2.313 21.582 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.878 2.380 21.362 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.733 3.745 22.120 1.00 0.00 H new ATOM 316 N THR A 22 -11.924 1.375 19.771 1.00 0.00 N ATOM 317 CA THR A 22 -11.556 -0.049 19.533 1.00 0.00 C ATOM 318 C THR A 22 -12.497 -0.651 18.487 1.00 0.00 C ATOM 319 O THR A 22 -12.739 -1.841 18.467 1.00 0.00 O ATOM 320 CB THR A 22 -11.679 -0.833 20.841 1.00 0.00 C ATOM 321 OG1 THR A 22 -10.771 -0.302 21.797 1.00 0.00 O ATOM 322 CG2 THR A 22 -11.353 -2.306 20.589 1.00 0.00 C ATOM 0 H THR A 22 -12.910 1.598 19.633 1.00 0.00 H new ATOM 0 HA THR A 22 -10.529 -0.103 19.172 1.00 0.00 H new ATOM 0 HB THR A 22 -12.697 -0.749 21.220 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.850 -0.802 22.636 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.441 -2.863 21.522 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.050 -2.713 19.856 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.335 -2.394 20.209 1.00 0.00 H new ATOM 330 N MET A 23 -13.030 0.163 17.617 1.00 0.00 N ATOM 331 CA MET A 23 -13.955 -0.362 16.573 1.00 0.00 C ATOM 332 C MET A 23 -14.070 0.655 15.436 1.00 0.00 C ATOM 333 O MET A 23 -15.058 1.350 15.308 1.00 0.00 O ATOM 334 CB MET A 23 -15.336 -0.600 17.187 1.00 0.00 C ATOM 335 CG MET A 23 -15.674 0.545 18.143 1.00 0.00 C ATOM 336 SD MET A 23 -17.470 0.766 18.209 1.00 0.00 S ATOM 337 CE MET A 23 -17.601 1.959 16.855 1.00 0.00 C ATOM 0 H MET A 23 -12.865 1.169 17.584 1.00 0.00 H new ATOM 0 HA MET A 23 -13.565 -1.302 16.182 1.00 0.00 H new ATOM 0 HB2 MET A 23 -16.089 -0.666 16.401 1.00 0.00 H new ATOM 0 HB3 MET A 23 -15.349 -1.550 17.721 1.00 0.00 H new ATOM 0 HG2 MET A 23 -15.287 0.328 19.139 1.00 0.00 H new ATOM 0 HG3 MET A 23 -15.196 1.466 17.808 1.00 0.00 H new ATOM 0 HE1 MET A 23 -18.586 2.425 16.875 1.00 0.00 H new ATOM 0 HE2 MET A 23 -16.834 2.725 16.970 1.00 0.00 H new ATOM 0 HE3 MET A 23 -17.462 1.446 15.903 1.00 0.00 H new ATOM 347 N GLY A 24 -13.065 0.747 14.609 1.00 0.00 N ATOM 348 CA GLY A 24 -13.112 1.716 13.481 1.00 0.00 C ATOM 349 C GLY A 24 -13.194 0.956 12.157 1.00 0.00 C ATOM 350 O GLY A 24 -12.719 -0.158 12.035 1.00 0.00 O ATOM 0 H GLY A 24 -12.212 0.191 14.667 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.975 2.374 13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.225 2.349 13.495 1.00 0.00 H new ATOM 354 N THR A 25 -13.795 1.550 11.163 1.00 0.00 N ATOM 355 CA THR A 25 -13.914 0.868 9.845 1.00 0.00 C ATOM 356 C THR A 25 -13.446 1.817 8.741 1.00 0.00 C ATOM 357 O THR A 25 -13.691 3.007 8.790 1.00 0.00 O ATOM 358 CB THR A 25 -15.376 0.486 9.603 1.00 0.00 C ATOM 359 OG1 THR A 25 -15.553 0.138 8.237 1.00 0.00 O ATOM 360 CG2 THR A 25 -16.278 1.670 9.951 1.00 0.00 C ATOM 0 H THR A 25 -14.210 2.481 11.208 1.00 0.00 H new ATOM 0 HA THR A 25 -13.297 -0.031 9.839 1.00 0.00 H new ATOM 0 HB THR A 25 -15.639 -0.365 10.232 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.713 -0.218 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.319 1.397 9.778 1.00 0.00 H new ATOM 0 HG22 THR A 25 -16.141 1.936 10.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 -16.017 2.523 9.324 1.00 0.00 H new ATOM 368 N VAL A 26 -12.779 1.305 7.743 1.00 0.00 N ATOM 369 CA VAL A 26 -12.305 2.186 6.639 1.00 0.00 C ATOM 370 C VAL A 26 -13.440 3.129 6.235 1.00 0.00 C ATOM 371 O VAL A 26 -14.546 2.706 5.965 1.00 0.00 O ATOM 372 CB VAL A 26 -11.885 1.328 5.445 1.00 0.00 C ATOM 373 CG1 VAL A 26 -11.027 2.164 4.493 1.00 0.00 C ATOM 374 CG2 VAL A 26 -11.072 0.131 5.941 1.00 0.00 C ATOM 0 H VAL A 26 -12.542 0.318 7.645 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.447 2.771 6.971 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.773 0.975 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.727 1.553 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.603 3.020 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.139 2.516 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.772 -0.482 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.184 0.486 6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.680 -0.465 6.621 1.00 0.00 H new ATOM 384 N GLN A 27 -13.177 4.406 6.212 1.00 0.00 N ATOM 385 CA GLN A 27 -14.245 5.382 5.849 1.00 0.00 C ATOM 386 C GLN A 27 -14.232 5.654 4.343 1.00 0.00 C ATOM 387 O GLN A 27 -15.223 5.459 3.668 1.00 0.00 O ATOM 388 CB GLN A 27 -14.018 6.693 6.603 1.00 0.00 C ATOM 389 CG GLN A 27 -15.350 7.428 6.764 1.00 0.00 C ATOM 390 CD GLN A 27 -15.125 8.933 6.615 1.00 0.00 C ATOM 391 OE1 GLN A 27 -14.272 9.360 5.862 1.00 0.00 O ATOM 392 NE2 GLN A 27 -15.859 9.762 7.306 1.00 0.00 N ATOM 0 H GLN A 27 -12.269 4.817 6.429 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.212 4.960 6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.582 6.491 7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.309 7.318 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -16.062 7.080 6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.782 7.209 7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.575 9.404 7.938 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.717 10.768 7.214 1.00 0.00 H new ATOM 401 N ARG A 28 -13.134 6.116 3.803 1.00 0.00 N ATOM 402 CA ARG A 28 -13.114 6.402 2.338 1.00 0.00 C ATOM 403 C ARG A 28 -11.681 6.417 1.793 1.00 0.00 C ATOM 404 O ARG A 28 -10.846 7.191 2.222 1.00 0.00 O ATOM 405 CB ARG A 28 -13.759 7.766 2.086 1.00 0.00 C ATOM 406 CG ARG A 28 -13.068 8.825 2.947 1.00 0.00 C ATOM 407 CD ARG A 28 -14.074 9.912 3.327 1.00 0.00 C ATOM 408 NE ARG A 28 -14.488 10.655 2.103 1.00 0.00 N ATOM 409 CZ ARG A 28 -15.395 11.590 2.183 1.00 0.00 C ATOM 410 NH1 ARG A 28 -16.588 11.306 2.630 1.00 0.00 N ATOM 411 NH2 ARG A 28 -15.108 12.810 1.817 1.00 0.00 N ATOM 0 H ARG A 28 -12.265 6.305 4.302 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.668 5.615 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.677 8.029 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.822 7.727 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.656 8.366 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.232 9.263 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.945 9.465 3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.630 10.597 4.049 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.063 10.433 1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.812 10.353 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.297 12.037 2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.175 13.032 1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.816 13.541 1.879 1.00 0.00 H new ATOM 425 N TRP A 29 -11.403 5.576 0.830 1.00 0.00 N ATOM 426 CA TRP A 29 -10.044 5.549 0.220 1.00 0.00 C ATOM 427 C TRP A 29 -10.059 4.610 -0.998 1.00 0.00 C ATOM 428 O TRP A 29 -9.179 3.797 -1.201 1.00 0.00 O ATOM 429 CB TRP A 29 -9.009 5.130 1.277 1.00 0.00 C ATOM 430 CG TRP A 29 -8.694 3.688 1.201 1.00 0.00 C ATOM 431 CD1 TRP A 29 -9.561 2.673 1.389 1.00 0.00 C ATOM 432 CD2 TRP A 29 -7.411 3.097 0.910 1.00 0.00 C ATOM 433 NE1 TRP A 29 -8.877 1.484 1.231 1.00 0.00 N ATOM 434 CE2 TRP A 29 -7.544 1.701 0.938 1.00 0.00 C ATOM 435 CE3 TRP A 29 -6.149 3.643 0.628 1.00 0.00 C ATOM 436 CZ2 TRP A 29 -6.459 0.874 0.696 1.00 0.00 C ATOM 437 CZ3 TRP A 29 -5.055 2.813 0.383 1.00 0.00 C ATOM 438 CH2 TRP A 29 -5.211 1.429 0.419 1.00 0.00 C ATOM 0 H TRP A 29 -12.064 4.904 0.440 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.759 6.541 -0.130 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.096 5.709 1.139 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.389 5.366 2.271 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.611 2.773 1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.302 0.561 1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.024 4.715 0.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.580 -0.199 0.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.088 3.243 0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.364 0.786 0.232 1.00 0.00 H new ATOM 449 N GLU A 30 -11.065 4.722 -1.817 1.00 0.00 N ATOM 450 CA GLU A 30 -11.147 3.836 -3.009 1.00 0.00 C ATOM 451 C GLU A 30 -10.031 4.186 -3.992 1.00 0.00 C ATOM 452 O GLU A 30 -10.163 5.071 -4.814 1.00 0.00 O ATOM 453 CB GLU A 30 -12.504 4.025 -3.690 1.00 0.00 C ATOM 454 CG GLU A 30 -12.955 2.699 -4.305 1.00 0.00 C ATOM 455 CD GLU A 30 -13.587 2.960 -5.674 1.00 0.00 C ATOM 456 OE1 GLU A 30 -13.869 4.110 -5.965 1.00 0.00 O ATOM 457 OE2 GLU A 30 -13.778 2.004 -6.408 1.00 0.00 O ATOM 0 H GLU A 30 -11.832 5.386 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.036 2.798 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.241 4.372 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.432 4.791 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.104 2.026 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.673 2.207 -3.649 1.00 0.00 H new ATOM 464 N LYS A 31 -8.932 3.485 -3.915 1.00 0.00 N ATOM 465 CA LYS A 31 -7.802 3.760 -4.846 1.00 0.00 C ATOM 466 C LYS A 31 -8.116 3.131 -6.208 1.00 0.00 C ATOM 467 O LYS A 31 -9.037 2.349 -6.338 1.00 0.00 O ATOM 468 CB LYS A 31 -6.518 3.148 -4.279 1.00 0.00 C ATOM 469 CG LYS A 31 -5.347 3.446 -5.217 1.00 0.00 C ATOM 470 CD LYS A 31 -4.051 2.916 -4.601 1.00 0.00 C ATOM 471 CE LYS A 31 -3.446 3.984 -3.688 1.00 0.00 C ATOM 472 NZ LYS A 31 -4.014 3.845 -2.317 1.00 0.00 N ATOM 0 H LYS A 31 -8.769 2.733 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.667 4.835 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.316 3.556 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.638 2.071 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.517 2.981 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.268 4.520 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.251 2.007 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.344 2.651 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.362 3.879 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.659 4.978 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.396 4.329 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.962 4.271 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.080 2.837 -2.069 1.00 0.00 H new ATOM 486 N LYS A 32 -7.375 3.475 -7.227 1.00 0.00 N ATOM 487 CA LYS A 32 -7.658 2.902 -8.577 1.00 0.00 C ATOM 488 C LYS A 32 -6.741 1.708 -8.857 1.00 0.00 C ATOM 489 O LYS A 32 -5.541 1.854 -8.969 1.00 0.00 O ATOM 490 CB LYS A 32 -7.429 3.977 -9.641 1.00 0.00 C ATOM 491 CG LYS A 32 -8.622 4.935 -9.664 1.00 0.00 C ATOM 492 CD LYS A 32 -8.163 6.311 -10.152 1.00 0.00 C ATOM 493 CE LYS A 32 -9.034 7.395 -9.516 1.00 0.00 C ATOM 494 NZ LYS A 32 -8.163 8.478 -8.975 1.00 0.00 N ATOM 0 H LYS A 32 -6.590 4.125 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.694 2.563 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.512 4.526 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.302 3.514 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.401 4.546 -10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.055 5.017 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.117 6.471 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.232 6.365 -11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.723 7.803 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.640 6.968 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.755 9.216 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.523 8.083 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.603 8.892 -9.748 1.00 0.00 H new ATOM 508 N VAL A 33 -7.319 0.531 -8.960 1.00 0.00 N ATOM 509 CA VAL A 33 -6.541 -0.718 -9.230 1.00 0.00 C ATOM 510 C VAL A 33 -5.202 -0.408 -9.900 1.00 0.00 C ATOM 511 O VAL A 33 -5.110 0.416 -10.788 1.00 0.00 O ATOM 512 CB VAL A 33 -7.359 -1.627 -10.148 1.00 0.00 C ATOM 513 CG1 VAL A 33 -8.630 -2.075 -9.423 1.00 0.00 C ATOM 514 CG2 VAL A 33 -7.741 -0.859 -11.416 1.00 0.00 C ATOM 0 H VAL A 33 -8.324 0.384 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.342 -1.210 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.766 -2.501 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.213 -2.723 -10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.360 -2.621 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.224 -1.201 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.324 -1.506 -12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.334 0.015 -11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.837 -0.538 -11.934 1.00 0.00 H new ATOM 524 N GLY A 34 -4.165 -1.071 -9.475 1.00 0.00 N ATOM 525 CA GLY A 34 -2.825 -0.838 -10.069 1.00 0.00 C ATOM 526 C GLY A 34 -2.588 0.662 -10.253 1.00 0.00 C ATOM 527 O GLY A 34 -2.144 1.106 -11.293 1.00 0.00 O ATOM 0 H GLY A 34 -4.191 -1.771 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.054 -1.260 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.751 -1.347 -11.030 1.00 0.00 H new ATOM 531 N GLU A 35 -2.875 1.447 -9.250 1.00 0.00 N ATOM 532 CA GLU A 35 -2.657 2.915 -9.371 1.00 0.00 C ATOM 533 C GLU A 35 -1.149 3.196 -9.412 1.00 0.00 C ATOM 534 O GLU A 35 -0.404 2.475 -10.042 1.00 0.00 O ATOM 535 CB GLU A 35 -3.295 3.623 -8.174 1.00 0.00 C ATOM 536 CG GLU A 35 -3.749 5.023 -8.590 1.00 0.00 C ATOM 537 CD GLU A 35 -3.456 6.012 -7.461 1.00 0.00 C ATOM 538 OE1 GLU A 35 -2.313 6.423 -7.343 1.00 0.00 O ATOM 539 OE2 GLU A 35 -4.378 6.342 -6.734 1.00 0.00 O ATOM 0 H GLU A 35 -3.250 1.135 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.116 3.287 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.145 3.047 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.580 3.690 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.232 5.329 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.815 5.019 -8.816 1.00 0.00 H new ATOM 546 N LYS A 36 -0.693 4.230 -8.741 1.00 0.00 N ATOM 547 CA LYS A 36 0.768 4.552 -8.738 1.00 0.00 C ATOM 548 C LYS A 36 0.959 6.025 -8.361 1.00 0.00 C ATOM 549 O LYS A 36 0.845 6.902 -9.194 1.00 0.00 O ATOM 550 CB LYS A 36 1.364 4.304 -10.132 1.00 0.00 C ATOM 551 CG LYS A 36 2.719 5.007 -10.254 1.00 0.00 C ATOM 552 CD LYS A 36 2.608 6.165 -11.246 1.00 0.00 C ATOM 553 CE LYS A 36 2.769 5.634 -12.672 1.00 0.00 C ATOM 554 NZ LYS A 36 2.173 6.604 -13.634 1.00 0.00 N ATOM 0 H LYS A 36 -1.274 4.865 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 36 1.274 3.914 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.484 3.234 -10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.683 4.673 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.036 5.379 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.478 4.300 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.642 6.659 -11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.374 6.912 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.825 5.483 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.281 4.664 -12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.282 6.243 -14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.162 6.727 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.658 7.520 -13.549 1.00 0.00 H new ATOM 568 N LEU A 37 1.250 6.312 -7.120 1.00 0.00 N ATOM 569 CA LEU A 37 1.446 7.735 -6.723 1.00 0.00 C ATOM 570 C LEU A 37 2.880 7.941 -6.234 1.00 0.00 C ATOM 571 O LEU A 37 3.495 7.048 -5.687 1.00 0.00 O ATOM 572 CB LEU A 37 0.470 8.093 -5.604 1.00 0.00 C ATOM 573 CG LEU A 37 -0.400 9.270 -6.045 1.00 0.00 C ATOM 574 CD1 LEU A 37 0.490 10.392 -6.582 1.00 0.00 C ATOM 575 CD2 LEU A 37 -1.360 8.810 -7.145 1.00 0.00 C ATOM 0 H LEU A 37 1.360 5.629 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 37 1.263 8.377 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.156 7.234 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.018 8.351 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.972 9.638 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.131 11.231 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.174 10.720 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.063 10.026 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.981 9.649 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.788 8.442 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.996 8.011 -6.763 1.00 0.00 H new ATOM 587 N SER A 38 3.417 9.115 -6.426 1.00 0.00 N ATOM 588 CA SER A 38 4.810 9.383 -5.972 1.00 0.00 C ATOM 589 C SER A 38 4.884 10.782 -5.356 1.00 0.00 C ATOM 590 O SER A 38 5.931 11.399 -5.316 1.00 0.00 O ATOM 591 CB SER A 38 5.760 9.301 -7.167 1.00 0.00 C ATOM 592 OG SER A 38 5.037 8.873 -8.314 1.00 0.00 O ATOM 0 H SER A 38 2.950 9.901 -6.878 1.00 0.00 H new ATOM 0 HA SER A 38 5.099 8.642 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.215 10.274 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.571 8.605 -6.954 1.00 0.00 H new ATOM 0 HG SER A 38 5.643 8.821 -9.082 1.00 0.00 H new ATOM 598 N GLU A 39 3.781 11.287 -4.875 1.00 0.00 N ATOM 599 CA GLU A 39 3.789 12.645 -4.261 1.00 0.00 C ATOM 600 C GLU A 39 2.722 12.718 -3.167 1.00 0.00 C ATOM 601 O GLU A 39 2.279 13.784 -2.788 1.00 0.00 O ATOM 602 CB GLU A 39 3.489 13.693 -5.336 1.00 0.00 C ATOM 603 CG GLU A 39 4.446 14.876 -5.178 1.00 0.00 C ATOM 604 CD GLU A 39 3.757 16.157 -5.652 1.00 0.00 C ATOM 605 OE1 GLU A 39 2.836 16.052 -6.445 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.163 17.221 -5.214 1.00 0.00 O ATOM 0 H GLU A 39 2.875 10.818 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 39 4.769 12.840 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.598 13.254 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.457 14.033 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.747 14.977 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.353 14.703 -5.757 1.00 0.00 H new ATOM 613 N GLY A 40 2.306 11.592 -2.655 1.00 0.00 N ATOM 614 CA GLY A 40 1.268 11.597 -1.585 1.00 0.00 C ATOM 615 C GLY A 40 -0.067 11.128 -2.165 1.00 0.00 C ATOM 616 O GLY A 40 -0.891 11.923 -2.573 1.00 0.00 O ATOM 0 H GLY A 40 2.640 10.669 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.571 10.943 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.164 12.599 -1.170 1.00 0.00 H new ATOM 620 N ASP A 41 -0.288 9.843 -2.204 1.00 0.00 N ATOM 621 CA ASP A 41 -1.571 9.324 -2.758 1.00 0.00 C ATOM 622 C ASP A 41 -2.654 9.385 -1.683 1.00 0.00 C ATOM 623 O ASP A 41 -2.478 9.988 -0.643 1.00 0.00 O ATOM 624 CB ASP A 41 -1.386 7.873 -3.205 1.00 0.00 C ATOM 625 CG ASP A 41 -2.262 7.600 -4.428 1.00 0.00 C ATOM 626 OD1 ASP A 41 -3.072 8.452 -4.754 1.00 0.00 O ATOM 627 OD2 ASP A 41 -2.108 6.543 -5.019 1.00 0.00 O ATOM 0 H ASP A 41 0.364 9.130 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.868 9.934 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.339 7.686 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.653 7.195 -2.395 1.00 0.00 H new ATOM 632 N LEU A 42 -3.776 8.764 -1.924 1.00 0.00 N ATOM 633 CA LEU A 42 -4.868 8.787 -0.914 1.00 0.00 C ATOM 634 C LEU A 42 -4.432 7.998 0.320 1.00 0.00 C ATOM 635 O LEU A 42 -3.281 7.633 0.461 1.00 0.00 O ATOM 636 CB LEU A 42 -6.134 8.161 -1.507 1.00 0.00 C ATOM 637 CG LEU A 42 -5.893 6.678 -1.794 1.00 0.00 C ATOM 638 CD1 LEU A 42 -7.209 5.911 -1.650 1.00 0.00 C ATOM 639 CD2 LEU A 42 -5.363 6.514 -3.220 1.00 0.00 C ATOM 0 H LEU A 42 -3.982 8.243 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.079 9.818 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.967 8.276 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.411 8.678 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.163 6.285 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.038 4.854 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.589 6.028 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.939 6.304 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.191 5.457 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.094 6.907 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.426 7.061 -3.325 1.00 0.00 H new ATOM 651 N LEU A 43 -5.339 7.741 1.220 1.00 0.00 N ATOM 652 CA LEU A 43 -4.967 6.986 2.445 1.00 0.00 C ATOM 653 C LEU A 43 -6.222 6.405 3.094 1.00 0.00 C ATOM 654 O LEU A 43 -7.196 7.099 3.308 1.00 0.00 O ATOM 655 CB LEU A 43 -4.284 7.940 3.425 1.00 0.00 C ATOM 656 CG LEU A 43 -5.196 9.140 3.687 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.454 9.267 5.189 1.00 0.00 C ATOM 658 CD2 LEU A 43 -4.518 10.414 3.178 1.00 0.00 C ATOM 0 H LEU A 43 -6.318 8.021 1.160 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.290 6.172 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.067 7.424 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.331 8.276 3.017 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.143 8.997 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.104 10.122 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.935 8.359 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.507 9.410 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.166 11.270 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.571 10.556 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.333 10.325 2.108 1.00 0.00 H new ATOM 670 N ALA A 44 -6.210 5.141 3.422 1.00 0.00 N ATOM 671 CA ALA A 44 -7.407 4.540 4.070 1.00 0.00 C ATOM 672 C ALA A 44 -7.860 5.461 5.202 1.00 0.00 C ATOM 673 O ALA A 44 -7.343 5.407 6.300 1.00 0.00 O ATOM 674 CB ALA A 44 -7.056 3.158 4.633 1.00 0.00 C ATOM 0 H ALA A 44 -5.428 4.504 3.270 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.208 4.426 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.937 2.723 5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.722 2.509 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.260 3.257 5.371 1.00 0.00 H new ATOM 680 N GLU A 45 -8.811 6.318 4.940 1.00 0.00 N ATOM 681 CA GLU A 45 -9.281 7.249 6.004 1.00 0.00 C ATOM 682 C GLU A 45 -10.271 6.525 6.915 1.00 0.00 C ATOM 683 O GLU A 45 -11.466 6.597 6.722 1.00 0.00 O ATOM 684 CB GLU A 45 -9.969 8.454 5.359 1.00 0.00 C ATOM 685 CG GLU A 45 -9.287 9.742 5.824 1.00 0.00 C ATOM 686 CD GLU A 45 -9.953 10.238 7.109 1.00 0.00 C ATOM 687 OE1 GLU A 45 -11.116 9.929 7.307 1.00 0.00 O ATOM 688 OE2 GLU A 45 -9.288 10.919 7.872 1.00 0.00 O ATOM 0 H GLU A 45 -9.280 6.413 4.039 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.428 7.588 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.920 8.376 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.025 8.471 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.226 9.562 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.358 10.504 5.048 1.00 0.00 H new ATOM 695 N ILE A 46 -9.781 5.830 7.907 1.00 0.00 N ATOM 696 CA ILE A 46 -10.694 5.100 8.834 1.00 0.00 C ATOM 697 C ILE A 46 -11.280 6.087 9.848 1.00 0.00 C ATOM 698 O ILE A 46 -10.704 7.119 10.127 1.00 0.00 O ATOM 699 CB ILE A 46 -9.904 4.010 9.574 1.00 0.00 C ATOM 700 CG1 ILE A 46 -9.675 2.814 8.644 1.00 0.00 C ATOM 701 CG2 ILE A 46 -10.688 3.544 10.804 1.00 0.00 C ATOM 702 CD1 ILE A 46 -9.206 3.305 7.273 1.00 0.00 C ATOM 0 H ILE A 46 -8.787 5.736 8.115 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.502 4.639 8.266 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.944 4.421 9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.931 2.144 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.597 2.241 8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.123 2.771 11.324 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.850 4.389 11.474 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.651 3.140 10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.045 2.450 6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.965 3.957 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.273 3.858 7.384 1.00 0.00 H new ATOM 714 N GLU A 47 -12.419 5.776 10.403 1.00 0.00 N ATOM 715 CA GLU A 47 -13.038 6.695 11.400 1.00 0.00 C ATOM 716 C GLU A 47 -14.053 5.922 12.245 1.00 0.00 C ATOM 717 O GLU A 47 -14.468 4.835 11.893 1.00 0.00 O ATOM 718 CB GLU A 47 -13.747 7.839 10.673 1.00 0.00 C ATOM 719 CG GLU A 47 -13.984 8.995 11.646 1.00 0.00 C ATOM 720 CD GLU A 47 -15.485 9.156 11.893 1.00 0.00 C ATOM 721 OE1 GLU A 47 -16.139 8.151 12.116 1.00 0.00 O ATOM 722 OE2 GLU A 47 -15.954 10.281 11.855 1.00 0.00 O ATOM 0 H GLU A 47 -12.948 4.926 10.209 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.261 7.103 12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.144 8.177 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.697 7.492 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.469 8.803 12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.571 9.918 11.238 1.00 0.00 H new ATOM 729 N THR A 48 -14.457 6.474 13.356 1.00 0.00 N ATOM 730 CA THR A 48 -15.445 5.770 14.221 1.00 0.00 C ATOM 731 C THR A 48 -16.391 6.793 14.851 1.00 0.00 C ATOM 732 O THR A 48 -17.584 6.579 14.939 1.00 0.00 O ATOM 733 CB THR A 48 -14.706 5.010 15.326 1.00 0.00 C ATOM 734 OG1 THR A 48 -14.397 5.904 16.387 1.00 0.00 O ATOM 735 CG2 THR A 48 -13.414 4.416 14.763 1.00 0.00 C ATOM 0 H THR A 48 -14.146 7.382 13.702 1.00 0.00 H new ATOM 0 HA THR A 48 -16.020 5.067 13.618 1.00 0.00 H new ATOM 0 HB THR A 48 -15.339 4.205 15.701 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.791 5.464 17.019 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.889 3.875 15.550 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.653 3.731 13.949 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.778 5.218 14.387 1.00 0.00 H new ATOM 743 N ASP A 49 -15.865 7.903 15.290 1.00 0.00 N ATOM 744 CA ASP A 49 -16.724 8.947 15.917 1.00 0.00 C ATOM 745 C ASP A 49 -15.843 9.897 16.728 1.00 0.00 C ATOM 746 O ASP A 49 -16.190 11.038 16.961 1.00 0.00 O ATOM 747 CB ASP A 49 -17.745 8.284 16.845 1.00 0.00 C ATOM 748 CG ASP A 49 -19.121 8.288 16.176 1.00 0.00 C ATOM 749 OD1 ASP A 49 -19.167 8.401 14.962 1.00 0.00 O ATOM 750 OD2 ASP A 49 -20.105 8.178 16.889 1.00 0.00 O ATOM 0 H ASP A 49 -14.872 8.133 15.241 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.251 9.502 15.141 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.440 7.261 17.067 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.789 8.817 17.795 1.00 0.00 H new ATOM 755 N LYS A 50 -14.702 9.433 17.157 1.00 0.00 N ATOM 756 CA LYS A 50 -13.793 10.305 17.953 1.00 0.00 C ATOM 757 C LYS A 50 -12.353 10.108 17.475 1.00 0.00 C ATOM 758 O LYS A 50 -11.409 10.421 18.172 1.00 0.00 O ATOM 759 CB LYS A 50 -13.894 9.933 19.433 1.00 0.00 C ATOM 760 CG LYS A 50 -14.539 11.085 20.207 1.00 0.00 C ATOM 761 CD LYS A 50 -13.636 12.318 20.133 1.00 0.00 C ATOM 762 CE LYS A 50 -14.250 13.451 20.959 1.00 0.00 C ATOM 763 NZ LYS A 50 -14.755 14.514 20.045 1.00 0.00 N ATOM 0 H LYS A 50 -14.359 8.487 16.991 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.082 11.348 17.821 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.486 9.025 19.551 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.903 9.722 19.834 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.520 11.314 19.790 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.694 10.797 21.247 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.642 12.077 20.509 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.517 12.633 19.096 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.065 13.067 21.573 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.505 13.865 21.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.172 15.284 20.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.967 14.887 19.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.478 14.114 19.414 1.00 0.00 H new ATOM 777 N ALA A 51 -12.178 9.591 16.289 1.00 0.00 N ATOM 778 CA ALA A 51 -10.800 9.374 15.767 1.00 0.00 C ATOM 779 C ALA A 51 -10.880 8.825 14.342 1.00 0.00 C ATOM 780 O ALA A 51 -11.912 8.354 13.906 1.00 0.00 O ATOM 781 CB ALA A 51 -10.067 8.371 16.660 1.00 0.00 C ATOM 0 H ALA A 51 -12.930 9.310 15.660 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.258 10.320 15.765 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.059 8.212 16.278 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.013 8.761 17.676 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.607 7.424 16.663 1.00 0.00 H new ATOM 787 N THR A 52 -9.802 8.882 13.610 1.00 0.00 N ATOM 788 CA THR A 52 -9.826 8.364 12.213 1.00 0.00 C ATOM 789 C THR A 52 -8.398 8.068 11.749 1.00 0.00 C ATOM 790 O THR A 52 -7.557 8.943 11.700 1.00 0.00 O ATOM 791 CB THR A 52 -10.454 9.412 11.287 1.00 0.00 C ATOM 792 OG1 THR A 52 -9.886 9.294 9.989 1.00 0.00 O ATOM 793 CG2 THR A 52 -10.186 10.815 11.834 1.00 0.00 C ATOM 0 H THR A 52 -8.908 9.264 13.918 1.00 0.00 H new ATOM 0 HA THR A 52 -10.416 7.448 12.180 1.00 0.00 H new ATOM 0 HB THR A 52 -11.530 9.247 11.234 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.953 8.364 9.686 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.635 11.556 11.172 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.621 10.907 12.829 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.111 10.984 11.892 1.00 0.00 H new ATOM 801 N ILE A 53 -8.119 6.840 11.402 1.00 0.00 N ATOM 802 CA ILE A 53 -6.747 6.495 10.935 1.00 0.00 C ATOM 803 C ILE A 53 -6.598 6.910 9.471 1.00 0.00 C ATOM 804 O ILE A 53 -7.554 7.288 8.824 1.00 0.00 O ATOM 805 CB ILE A 53 -6.517 4.984 11.060 1.00 0.00 C ATOM 806 CG1 ILE A 53 -7.370 4.418 12.199 1.00 0.00 C ATOM 807 CG2 ILE A 53 -5.040 4.717 11.356 1.00 0.00 C ATOM 808 CD1 ILE A 53 -7.239 5.313 13.433 1.00 0.00 C ATOM 0 H ILE A 53 -8.780 6.064 11.422 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.014 7.020 11.547 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.800 4.502 10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.414 4.358 11.890 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.049 3.404 12.437 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.875 3.643 11.445 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.429 5.112 10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.762 5.205 12.290 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.847 4.908 14.242 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.196 5.350 13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.581 6.319 13.191 1.00 0.00 H new ATOM 820 N GLY A 54 -5.408 6.845 8.942 1.00 0.00 N ATOM 821 CA GLY A 54 -5.207 7.238 7.520 1.00 0.00 C ATOM 822 C GLY A 54 -3.976 6.525 6.959 1.00 0.00 C ATOM 823 O GLY A 54 -2.902 6.586 7.523 1.00 0.00 O ATOM 0 H GLY A 54 -4.568 6.537 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.088 6.980 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.080 8.318 7.445 1.00 0.00 H new ATOM 827 N PHE A 55 -4.124 5.851 5.852 1.00 0.00 N ATOM 828 CA PHE A 55 -2.959 5.137 5.254 1.00 0.00 C ATOM 829 C PHE A 55 -2.171 6.102 4.364 1.00 0.00 C ATOM 830 O PHE A 55 -1.948 5.844 3.198 1.00 0.00 O ATOM 831 CB PHE A 55 -3.457 3.960 4.414 1.00 0.00 C ATOM 832 CG PHE A 55 -2.585 2.754 4.670 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.244 2.925 5.036 1.00 0.00 C ATOM 834 CD2 PHE A 55 -3.116 1.466 4.541 1.00 0.00 C ATOM 835 CE1 PHE A 55 -0.435 1.807 5.273 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.308 0.348 4.779 1.00 0.00 C ATOM 837 CZ PHE A 55 -0.967 0.518 5.144 1.00 0.00 C ATOM 0 H PHE A 55 -4.999 5.763 5.336 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.313 4.767 6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.493 3.733 4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.435 4.220 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.834 3.919 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.150 1.334 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.599 1.939 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.719 -0.646 4.681 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.343 -0.345 5.326 1.00 0.00 H new ATOM 847 N GLU A 56 -1.749 7.214 4.905 1.00 0.00 N ATOM 848 CA GLU A 56 -0.976 8.199 4.094 1.00 0.00 C ATOM 849 C GLU A 56 0.045 7.463 3.226 1.00 0.00 C ATOM 850 O GLU A 56 1.046 6.974 3.712 1.00 0.00 O ATOM 851 CB GLU A 56 -0.245 9.166 5.028 1.00 0.00 C ATOM 852 CG GLU A 56 -1.184 9.595 6.157 1.00 0.00 C ATOM 853 CD GLU A 56 -0.948 11.071 6.484 1.00 0.00 C ATOM 854 OE1 GLU A 56 0.083 11.371 7.065 1.00 0.00 O ATOM 855 OE2 GLU A 56 -1.801 11.876 6.149 1.00 0.00 O ATOM 0 H GLU A 56 -1.907 7.483 5.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.661 8.755 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.643 8.687 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.094 10.040 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.221 9.439 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.009 8.983 7.042 1.00 0.00 H new ATOM 862 N VAL A 57 -0.191 7.385 1.944 1.00 0.00 N ATOM 863 CA VAL A 57 0.781 6.684 1.057 1.00 0.00 C ATOM 864 C VAL A 57 1.807 7.696 0.541 1.00 0.00 C ATOM 865 O VAL A 57 1.854 8.003 -0.634 1.00 0.00 O ATOM 866 CB VAL A 57 0.046 6.051 -0.127 1.00 0.00 C ATOM 867 CG1 VAL A 57 0.884 4.902 -0.686 1.00 0.00 C ATOM 868 CG2 VAL A 57 -1.308 5.508 0.337 1.00 0.00 C ATOM 0 H VAL A 57 -1.009 7.774 1.475 1.00 0.00 H new ATOM 0 HA VAL A 57 1.286 5.899 1.621 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.111 6.804 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.363 4.449 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.849 5.284 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.038 4.153 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.829 5.058 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.153 4.755 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.908 6.324 0.740 1.00 0.00 H new ATOM 878 N GLN A 58 2.626 8.220 1.414 1.00 0.00 N ATOM 879 CA GLN A 58 3.647 9.217 0.982 1.00 0.00 C ATOM 880 C GLN A 58 4.290 8.768 -0.331 1.00 0.00 C ATOM 881 O GLN A 58 5.005 7.787 -0.379 1.00 0.00 O ATOM 882 CB GLN A 58 4.726 9.339 2.060 1.00 0.00 C ATOM 883 CG GLN A 58 4.187 10.163 3.231 1.00 0.00 C ATOM 884 CD GLN A 58 5.270 10.294 4.304 1.00 0.00 C ATOM 885 OE1 GLN A 58 6.100 11.179 4.241 1.00 0.00 O ATOM 886 NE2 GLN A 58 5.296 9.444 5.294 1.00 0.00 N ATOM 0 H GLN A 58 2.631 8.000 2.410 1.00 0.00 H new ATOM 0 HA GLN A 58 3.164 10.183 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.024 8.349 2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.616 9.814 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.882 11.150 2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.302 9.684 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.599 8.701 5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.013 9.523 6.015 1.00 0.00 H new ATOM 895 N GLU A 59 4.042 9.482 -1.397 1.00 0.00 N ATOM 896 CA GLU A 59 4.638 9.105 -2.710 1.00 0.00 C ATOM 897 C GLU A 59 4.556 7.589 -2.893 1.00 0.00 C ATOM 898 O GLU A 59 5.523 6.880 -2.700 1.00 0.00 O ATOM 899 CB GLU A 59 6.102 9.546 -2.751 1.00 0.00 C ATOM 900 CG GLU A 59 6.233 10.940 -2.135 1.00 0.00 C ATOM 901 CD GLU A 59 7.684 11.411 -2.241 1.00 0.00 C ATOM 902 OE1 GLU A 59 8.062 11.868 -3.307 1.00 0.00 O ATOM 903 OE2 GLU A 59 8.393 11.307 -1.253 1.00 0.00 O ATOM 0 H GLU A 59 3.450 10.313 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 59 4.088 9.597 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.722 8.836 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.461 9.556 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.574 11.640 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.922 10.918 -1.091 1.00 0.00 H new ATOM 910 N GLU A 60 3.408 7.089 -3.262 1.00 0.00 N ATOM 911 CA GLU A 60 3.256 5.618 -3.456 1.00 0.00 C ATOM 912 C GLU A 60 1.779 5.300 -3.702 1.00 0.00 C ATOM 913 O GLU A 60 0.989 6.177 -3.982 1.00 0.00 O ATOM 914 CB GLU A 60 3.730 4.888 -2.194 1.00 0.00 C ATOM 915 CG GLU A 60 5.158 4.374 -2.397 1.00 0.00 C ATOM 916 CD GLU A 60 6.019 4.773 -1.197 1.00 0.00 C ATOM 917 OE1 GLU A 60 5.477 4.863 -0.107 1.00 0.00 O ATOM 918 OE2 GLU A 60 7.205 4.982 -1.388 1.00 0.00 O ATOM 0 H GLU A 60 2.566 7.637 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 60 3.852 5.293 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.695 5.562 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.062 4.056 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.153 3.290 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.578 4.788 -3.313 1.00 0.00 H new ATOM 925 N GLY A 61 1.392 4.059 -3.592 1.00 0.00 N ATOM 926 CA GLY A 61 -0.043 3.714 -3.806 1.00 0.00 C ATOM 927 C GLY A 61 -0.263 3.173 -5.217 1.00 0.00 C ATOM 928 O GLY A 61 -1.029 3.716 -5.986 1.00 0.00 O ATOM 0 H GLY A 61 2.002 3.274 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.357 2.971 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.662 4.597 -3.649 1.00 0.00 H new ATOM 932 N TYR A 62 0.377 2.090 -5.553 1.00 0.00 N ATOM 933 CA TYR A 62 0.176 1.494 -6.900 1.00 0.00 C ATOM 934 C TYR A 62 -0.992 0.507 -6.815 1.00 0.00 C ATOM 935 O TYR A 62 -1.309 -0.186 -7.760 1.00 0.00 O ATOM 936 CB TYR A 62 1.447 0.753 -7.332 1.00 0.00 C ATOM 937 CG TYR A 62 1.143 -0.149 -8.506 1.00 0.00 C ATOM 938 CD1 TYR A 62 1.169 0.364 -9.808 1.00 0.00 C ATOM 939 CD2 TYR A 62 0.837 -1.498 -8.291 1.00 0.00 C ATOM 940 CE1 TYR A 62 0.888 -0.472 -10.896 1.00 0.00 C ATOM 941 CE2 TYR A 62 0.556 -2.334 -9.378 1.00 0.00 C ATOM 942 CZ TYR A 62 0.581 -1.821 -10.680 1.00 0.00 C ATOM 943 OH TYR A 62 0.304 -2.645 -11.752 1.00 0.00 O ATOM 0 H TYR A 62 1.032 1.591 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.040 2.274 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.222 1.470 -7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.835 0.164 -6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.406 1.405 -9.974 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.818 -1.894 -7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.908 -0.076 -11.901 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.320 -3.375 -9.212 1.00 0.00 H new ATOM 0 HH TYR A 62 0.113 -3.550 -11.428 1.00 0.00 H new ATOM 953 N LEU A 63 -1.633 0.441 -5.676 1.00 0.00 N ATOM 954 CA LEU A 63 -2.773 -0.496 -5.510 1.00 0.00 C ATOM 955 C LEU A 63 -2.316 -1.914 -5.845 1.00 0.00 C ATOM 956 O LEU A 63 -2.667 -2.467 -6.871 1.00 0.00 O ATOM 957 CB LEU A 63 -3.919 -0.091 -6.433 1.00 0.00 C ATOM 958 CG LEU A 63 -5.233 -0.564 -5.819 1.00 0.00 C ATOM 959 CD1 LEU A 63 -6.369 0.362 -6.245 1.00 0.00 C ATOM 960 CD2 LEU A 63 -5.528 -1.996 -6.285 1.00 0.00 C ATOM 0 H LEU A 63 -1.411 1.001 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.122 -0.460 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.932 0.991 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.783 -0.532 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.150 -0.546 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.304 0.018 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.158 1.376 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.457 0.354 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.467 -2.335 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.607 -2.016 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.720 -2.656 -5.968 1.00 0.00 H new ATOM 972 N ALA A 64 -1.532 -2.500 -4.980 1.00 0.00 N ATOM 973 CA ALA A 64 -1.034 -3.882 -5.225 1.00 0.00 C ATOM 974 C ALA A 64 -2.060 -4.894 -4.712 1.00 0.00 C ATOM 975 O ALA A 64 -2.626 -5.656 -5.470 1.00 0.00 O ATOM 976 CB ALA A 64 0.289 -4.080 -4.482 1.00 0.00 C ATOM 0 H ALA A 64 -1.214 -2.076 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.882 -4.031 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.658 -5.091 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.021 -3.358 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.132 -3.932 -3.414 1.00 0.00 H new ATOM 982 N LYS A 65 -2.303 -4.912 -3.429 1.00 0.00 N ATOM 983 CA LYS A 65 -3.291 -5.878 -2.876 1.00 0.00 C ATOM 984 C LYS A 65 -4.478 -5.116 -2.288 1.00 0.00 C ATOM 985 O LYS A 65 -4.899 -5.363 -1.175 1.00 0.00 O ATOM 986 CB LYS A 65 -2.631 -6.719 -1.782 1.00 0.00 C ATOM 987 CG LYS A 65 -3.382 -8.044 -1.633 1.00 0.00 C ATOM 988 CD LYS A 65 -2.534 -9.024 -0.820 1.00 0.00 C ATOM 989 CE LYS A 65 -2.805 -8.818 0.672 1.00 0.00 C ATOM 990 NZ LYS A 65 -2.727 -10.129 1.376 1.00 0.00 N ATOM 0 H LYS A 65 -1.861 -4.301 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.640 -6.533 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.587 -6.907 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.639 -6.176 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.339 -7.878 -1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.599 -8.463 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.770 -10.049 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.476 -8.870 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.078 -8.123 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.790 -8.374 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.911 -9.990 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.437 -10.778 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.778 -10.535 1.249 1.00 0.00 H new ATOM 1004 N ILE A 66 -5.030 -4.197 -3.032 1.00 0.00 N ATOM 1005 CA ILE A 66 -6.198 -3.430 -2.522 1.00 0.00 C ATOM 1006 C ILE A 66 -7.444 -4.311 -2.698 1.00 0.00 C ATOM 1007 O ILE A 66 -7.960 -4.466 -3.787 1.00 0.00 O ATOM 1008 CB ILE A 66 -6.293 -2.095 -3.305 1.00 0.00 C ATOM 1009 CG1 ILE A 66 -6.148 -0.894 -2.356 1.00 0.00 C ATOM 1010 CG2 ILE A 66 -7.609 -1.966 -4.077 1.00 0.00 C ATOM 1011 CD1 ILE A 66 -4.677 -0.731 -1.967 1.00 0.00 C ATOM 0 H ILE A 66 -4.721 -3.945 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.102 -3.179 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.474 -2.100 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.510 0.013 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.757 -1.045 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.627 -1.015 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.692 -2.783 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.446 -2.008 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.571 0.120 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.331 -1.635 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.080 -0.561 -2.863 1.00 0.00 H new ATOM 1023 N LEU A 67 -7.913 -4.925 -1.641 1.00 0.00 N ATOM 1024 CA LEU A 67 -9.100 -5.819 -1.781 1.00 0.00 C ATOM 1025 C LEU A 67 -10.232 -5.341 -0.875 1.00 0.00 C ATOM 1026 O LEU A 67 -11.392 -5.598 -1.129 1.00 0.00 O ATOM 1027 CB LEU A 67 -8.709 -7.246 -1.394 1.00 0.00 C ATOM 1028 CG LEU A 67 -9.644 -8.238 -2.086 1.00 0.00 C ATOM 1029 CD1 LEU A 67 -8.852 -9.065 -3.101 1.00 0.00 C ATOM 1030 CD2 LEU A 67 -10.261 -9.170 -1.041 1.00 0.00 C ATOM 0 H LEU A 67 -7.530 -4.847 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.441 -5.796 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.676 -7.442 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.767 -7.369 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.435 -7.692 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.519 -9.772 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.411 -8.402 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.061 -9.611 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.928 -9.878 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.469 -9.715 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.826 -8.582 -0.318 1.00 0.00 H new ATOM 1042 N VAL A 68 -9.910 -4.650 0.179 1.00 0.00 N ATOM 1043 CA VAL A 68 -10.976 -4.161 1.093 1.00 0.00 C ATOM 1044 C VAL A 68 -11.102 -2.643 0.945 1.00 0.00 C ATOM 1045 O VAL A 68 -10.330 -1.902 1.520 1.00 0.00 O ATOM 1046 CB VAL A 68 -10.609 -4.511 2.534 1.00 0.00 C ATOM 1047 CG1 VAL A 68 -11.538 -3.767 3.494 1.00 0.00 C ATOM 1048 CG2 VAL A 68 -10.763 -6.019 2.745 1.00 0.00 C ATOM 0 H VAL A 68 -8.957 -4.403 0.447 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.926 -4.632 0.841 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.577 -4.218 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.275 -4.017 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.432 -2.693 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.570 -4.060 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.502 -6.271 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.795 -6.310 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.102 -6.551 2.061 1.00 0.00 H new ATOM 1058 N PRO A 69 -12.069 -2.225 0.169 1.00 0.00 N ATOM 1059 CA PRO A 69 -12.316 -0.796 -0.082 1.00 0.00 C ATOM 1060 C PRO A 69 -12.992 -0.149 1.126 1.00 0.00 C ATOM 1061 O PRO A 69 -13.563 -0.818 1.969 1.00 0.00 O ATOM 1062 CB PRO A 69 -13.242 -0.797 -1.301 1.00 0.00 C ATOM 1063 CG PRO A 69 -13.917 -2.188 -1.334 1.00 0.00 C ATOM 1064 CD PRO A 69 -13.009 -3.132 -0.523 1.00 0.00 C ATOM 0 HA PRO A 69 -11.402 -0.227 -0.253 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.987 -0.005 -1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.679 -0.616 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.917 -2.145 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.028 -2.542 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.585 -3.726 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.482 -3.832 -1.171 1.00 0.00 H new ATOM 1072 N GLU A 70 -12.929 1.148 1.219 1.00 0.00 N ATOM 1073 CA GLU A 70 -13.561 1.843 2.369 1.00 0.00 C ATOM 1074 C GLU A 70 -14.944 1.244 2.633 1.00 0.00 C ATOM 1075 O GLU A 70 -15.737 1.063 1.730 1.00 0.00 O ATOM 1076 CB GLU A 70 -13.696 3.328 2.044 1.00 0.00 C ATOM 1077 CG GLU A 70 -14.588 3.503 0.814 1.00 0.00 C ATOM 1078 CD GLU A 70 -15.829 4.313 1.193 1.00 0.00 C ATOM 1079 OE1 GLU A 70 -15.755 5.530 1.143 1.00 0.00 O ATOM 1080 OE2 GLU A 70 -16.831 3.703 1.527 1.00 0.00 O ATOM 0 H GLU A 70 -12.465 1.758 0.545 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.943 1.719 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.123 3.860 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.713 3.761 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.038 4.011 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.882 2.529 0.424 1.00 0.00 H new ATOM 1087 N GLY A 71 -15.237 0.930 3.866 1.00 0.00 N ATOM 1088 CA GLY A 71 -16.565 0.338 4.191 1.00 0.00 C ATOM 1089 C GLY A 71 -16.369 -0.895 5.075 1.00 0.00 C ATOM 1090 O GLY A 71 -17.204 -1.222 5.894 1.00 0.00 O ATOM 0 H GLY A 71 -14.613 1.058 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.187 1.072 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.087 0.063 3.275 1.00 0.00 H new ATOM 1094 N THR A 72 -15.271 -1.584 4.914 1.00 0.00 N ATOM 1095 CA THR A 72 -15.025 -2.798 5.746 1.00 0.00 C ATOM 1096 C THR A 72 -14.794 -2.390 7.205 1.00 0.00 C ATOM 1097 O THR A 72 -14.047 -1.476 7.494 1.00 0.00 O ATOM 1098 CB THR A 72 -13.790 -3.533 5.222 1.00 0.00 C ATOM 1099 OG1 THR A 72 -14.100 -4.146 3.978 1.00 0.00 O ATOM 1100 CG2 THR A 72 -13.364 -4.604 6.228 1.00 0.00 C ATOM 0 H THR A 72 -14.535 -1.360 4.244 1.00 0.00 H new ATOM 0 HA THR A 72 -15.893 -3.454 5.689 1.00 0.00 H new ATOM 0 HB THR A 72 -12.975 -2.823 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 72 -14.372 -3.459 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.484 -5.126 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.127 -4.133 7.182 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.177 -5.317 6.367 1.00 0.00 H new ATOM 1108 N ARG A 73 -15.430 -3.064 8.126 1.00 0.00 N ATOM 1109 CA ARG A 73 -15.252 -2.722 9.568 1.00 0.00 C ATOM 1110 C ARG A 73 -14.551 -3.872 10.284 1.00 0.00 C ATOM 1111 O ARG A 73 -15.129 -4.911 10.536 1.00 0.00 O ATOM 1112 CB ARG A 73 -16.621 -2.480 10.208 1.00 0.00 C ATOM 1113 CG ARG A 73 -16.449 -2.266 11.713 1.00 0.00 C ATOM 1114 CD ARG A 73 -17.311 -3.276 12.474 1.00 0.00 C ATOM 1115 NE ARG A 73 -17.048 -3.152 13.935 1.00 0.00 N ATOM 1116 CZ ARG A 73 -17.968 -3.495 14.795 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -18.868 -4.382 14.469 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -17.988 -2.951 15.981 1.00 0.00 N ATOM 0 H ARG A 73 -16.067 -3.839 7.941 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.646 -1.820 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -17.096 -1.608 9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.276 -3.331 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.402 -2.384 11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.738 -1.250 11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.366 -3.098 12.267 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.086 -4.288 12.138 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.149 -2.799 14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.853 -4.807 13.542 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.587 -4.650 15.141 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.285 -2.258 16.236 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.707 -3.219 16.653 1.00 0.00 H new ATOM 1132 N ASP A 74 -13.308 -3.685 10.620 1.00 0.00 N ATOM 1133 CA ASP A 74 -12.556 -4.750 11.330 1.00 0.00 C ATOM 1134 C ASP A 74 -12.062 -4.196 12.662 1.00 0.00 C ATOM 1135 O ASP A 74 -12.084 -4.871 13.668 1.00 0.00 O ATOM 1136 CB ASP A 74 -11.360 -5.186 10.481 1.00 0.00 C ATOM 1137 CG ASP A 74 -11.842 -6.088 9.343 1.00 0.00 C ATOM 1138 OD1 ASP A 74 -13.014 -6.016 9.013 1.00 0.00 O ATOM 1139 OD2 ASP A 74 -11.030 -6.836 8.822 1.00 0.00 O ATOM 0 H ASP A 74 -12.778 -2.834 10.432 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.203 -5.610 11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.851 -4.312 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.637 -5.718 11.099 1.00 0.00 H new ATOM 1144 N VAL A 75 -11.622 -2.963 12.666 1.00 0.00 N ATOM 1145 CA VAL A 75 -11.120 -2.328 13.922 1.00 0.00 C ATOM 1146 C VAL A 75 -10.419 -1.015 13.566 1.00 0.00 C ATOM 1147 O VAL A 75 -10.173 -0.744 12.408 1.00 0.00 O ATOM 1148 CB VAL A 75 -10.133 -3.254 14.644 1.00 0.00 C ATOM 1149 CG1 VAL A 75 -10.883 -4.036 15.720 1.00 0.00 C ATOM 1150 CG2 VAL A 75 -9.495 -4.232 13.653 1.00 0.00 C ATOM 0 H VAL A 75 -11.589 -2.362 11.842 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.964 -2.140 14.586 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.345 -2.653 15.098 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.189 -4.697 16.239 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -11.324 -3.341 16.434 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.671 -4.629 15.256 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.797 -4.882 14.181 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.273 -4.837 13.187 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.960 -3.674 12.884 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.128 -0.230 14.571 1.00 0.00 N ATOM 1161 CA PRO A 76 -9.464 1.072 14.390 1.00 0.00 C ATOM 1162 C PRO A 76 -7.950 0.900 14.209 1.00 0.00 C ATOM 1163 O PRO A 76 -7.208 1.862 14.205 1.00 0.00 O ATOM 1164 CB PRO A 76 -9.774 1.811 15.694 1.00 0.00 C ATOM 1165 CG PRO A 76 -10.086 0.725 16.752 1.00 0.00 C ATOM 1166 CD PRO A 76 -10.439 -0.560 15.979 1.00 0.00 C ATOM 0 HA PRO A 76 -9.809 1.603 13.503 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.927 2.422 16.004 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.622 2.483 15.566 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.227 0.561 17.403 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.915 1.033 17.389 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.852 -1.409 16.328 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.489 -0.825 16.104 1.00 0.00 H new ATOM 1174 N LEU A 77 -7.482 -0.310 14.061 1.00 0.00 N ATOM 1175 CA LEU A 77 -6.015 -0.519 13.883 1.00 0.00 C ATOM 1176 C LEU A 77 -5.764 -1.776 13.044 1.00 0.00 C ATOM 1177 O LEU A 77 -5.697 -1.721 11.833 1.00 0.00 O ATOM 1178 CB LEU A 77 -5.353 -0.682 15.256 1.00 0.00 C ATOM 1179 CG LEU A 77 -3.911 -1.173 15.084 1.00 0.00 C ATOM 1180 CD1 LEU A 77 -2.943 -0.115 15.613 1.00 0.00 C ATOM 1181 CD2 LEU A 77 -3.717 -2.472 15.869 1.00 0.00 C ATOM 0 H LEU A 77 -8.048 -1.159 14.055 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.590 0.344 13.370 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.362 0.269 15.789 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.918 -1.391 15.860 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.714 -1.351 14.027 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.918 -0.465 15.490 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.078 0.813 15.057 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.141 0.063 16.670 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.692 -2.821 15.747 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.915 -2.292 16.926 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.405 -3.230 15.495 1.00 0.00 H new ATOM 1193 N GLY A 78 -5.610 -2.903 13.683 1.00 0.00 N ATOM 1194 CA GLY A 78 -5.346 -4.167 12.940 1.00 0.00 C ATOM 1195 C GLY A 78 -6.190 -4.229 11.667 1.00 0.00 C ATOM 1196 O GLY A 78 -5.757 -4.767 10.674 1.00 0.00 O ATOM 0 H GLY A 78 -5.656 -3.003 14.697 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.288 -4.231 12.685 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.573 -5.023 13.575 1.00 0.00 H new ATOM 1200 N THR A 79 -7.387 -3.692 11.702 1.00 0.00 N ATOM 1201 CA THR A 79 -8.291 -3.714 10.504 1.00 0.00 C ATOM 1202 C THR A 79 -7.481 -3.725 9.203 1.00 0.00 C ATOM 1203 O THR A 79 -7.188 -2.683 8.652 1.00 0.00 O ATOM 1204 CB THR A 79 -9.174 -2.466 10.529 1.00 0.00 C ATOM 1205 OG1 THR A 79 -9.889 -2.368 9.305 1.00 0.00 O ATOM 1206 CG2 THR A 79 -8.300 -1.224 10.715 1.00 0.00 C ATOM 0 H THR A 79 -7.783 -3.232 12.522 1.00 0.00 H new ATOM 0 HA THR A 79 -8.898 -4.618 10.542 1.00 0.00 H new ATOM 0 HB THR A 79 -9.880 -2.537 11.356 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.456 -1.569 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.930 -0.335 10.733 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.754 -1.301 11.655 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.592 -1.150 9.890 1.00 0.00 H new ATOM 1214 N PRO A 80 -7.150 -4.910 8.749 1.00 0.00 N ATOM 1215 CA PRO A 80 -6.368 -5.100 7.516 1.00 0.00 C ATOM 1216 C PRO A 80 -7.279 -4.958 6.294 1.00 0.00 C ATOM 1217 O PRO A 80 -8.307 -5.599 6.199 1.00 0.00 O ATOM 1218 CB PRO A 80 -5.842 -6.532 7.645 1.00 0.00 C ATOM 1219 CG PRO A 80 -6.780 -7.261 8.630 1.00 0.00 C ATOM 1220 CD PRO A 80 -7.534 -6.172 9.418 1.00 0.00 C ATOM 0 HA PRO A 80 -5.568 -4.371 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.835 -7.031 6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.816 -6.536 8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.479 -7.904 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.211 -7.901 9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.612 -6.329 9.383 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.246 -6.169 10.469 1.00 0.00 H new ATOM 1228 N LEU A 81 -6.915 -4.124 5.361 1.00 0.00 N ATOM 1229 CA LEU A 81 -7.764 -3.949 4.159 1.00 0.00 C ATOM 1230 C LEU A 81 -6.923 -4.017 2.872 1.00 0.00 C ATOM 1231 O LEU A 81 -7.338 -4.635 1.902 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.523 -2.606 4.241 1.00 0.00 C ATOM 1233 CG LEU A 81 -7.571 -1.409 4.108 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -8.342 -0.207 3.560 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -6.998 -1.047 5.477 1.00 0.00 C ATOM 0 H LEU A 81 -6.067 -3.558 5.382 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.488 -4.764 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.274 -2.563 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.054 -2.545 5.191 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.759 -1.673 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.668 0.645 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.755 -0.455 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.153 0.047 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.323 -0.197 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.811 -0.786 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.450 -1.899 5.879 1.00 0.00 H new ATOM 1247 N CYS A 82 -5.765 -3.385 2.814 1.00 0.00 N ATOM 1248 CA CYS A 82 -4.990 -3.428 1.527 1.00 0.00 C ATOM 1249 C CYS A 82 -3.478 -3.217 1.740 1.00 0.00 C ATOM 1250 O CYS A 82 -3.042 -2.555 2.654 1.00 0.00 O ATOM 1251 CB CYS A 82 -5.509 -2.306 0.626 1.00 0.00 C ATOM 1252 SG CYS A 82 -7.315 -2.440 0.436 1.00 0.00 S ATOM 0 H CYS A 82 -5.337 -2.859 3.576 1.00 0.00 H new ATOM 0 HA CYS A 82 -5.128 -4.414 1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.252 -1.337 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.028 -2.361 -0.350 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.722 -3.565 0.943 1.00 0.00 H new ATOM 1258 N ILE A 83 -2.667 -3.760 0.872 1.00 0.00 N ATOM 1259 CA ILE A 83 -1.192 -3.567 1.013 1.00 0.00 C ATOM 1260 C ILE A 83 -0.701 -2.622 -0.077 1.00 0.00 C ATOM 1261 O ILE A 83 -0.742 -2.921 -1.254 1.00 0.00 O ATOM 1262 CB ILE A 83 -0.476 -4.916 0.902 1.00 0.00 C ATOM 1263 CG1 ILE A 83 0.961 -4.770 1.407 1.00 0.00 C ATOM 1264 CG2 ILE A 83 -0.457 -5.375 -0.557 1.00 0.00 C ATOM 1265 CD1 ILE A 83 1.098 -5.458 2.767 1.00 0.00 C ATOM 0 H ILE A 83 -2.958 -4.326 0.075 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.974 -3.135 1.990 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.005 -5.655 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.655 -5.212 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.222 -3.715 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.054 -6.335 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.480 -5.480 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.069 -4.638 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.122 -5.354 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.415 -4.995 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.855 -6.516 2.666 1.00 0.00 H new ATOM 1277 N ILE A 84 -0.244 -1.474 0.321 1.00 0.00 N ATOM 1278 CA ILE A 84 0.251 -0.475 -0.667 1.00 0.00 C ATOM 1279 C ILE A 84 1.742 -0.699 -0.931 1.00 0.00 C ATOM 1280 O ILE A 84 2.421 -1.374 -0.182 1.00 0.00 O ATOM 1281 CB ILE A 84 0.044 0.930 -0.106 1.00 0.00 C ATOM 1282 CG1 ILE A 84 -1.430 1.123 0.257 1.00 0.00 C ATOM 1283 CG2 ILE A 84 0.449 1.962 -1.155 1.00 0.00 C ATOM 1284 CD1 ILE A 84 -1.615 0.934 1.764 1.00 0.00 C ATOM 0 H ILE A 84 -0.190 -1.179 1.296 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.300 -0.587 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 84 0.657 1.059 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.761 2.119 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.046 0.408 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.301 2.965 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.499 1.825 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.164 1.834 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.665 1.072 2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.301 -0.071 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.011 1.667 2.299 1.00 0.00 H new ATOM 1296 N VAL A 85 2.257 -0.135 -1.991 1.00 0.00 N ATOM 1297 CA VAL A 85 3.703 -0.313 -2.302 1.00 0.00 C ATOM 1298 C VAL A 85 4.112 0.628 -3.442 1.00 0.00 C ATOM 1299 O VAL A 85 5.230 1.098 -3.491 1.00 0.00 O ATOM 1300 CB VAL A 85 3.957 -1.762 -2.721 1.00 0.00 C ATOM 1301 CG1 VAL A 85 2.878 -2.204 -3.711 1.00 0.00 C ATOM 1302 CG2 VAL A 85 5.331 -1.868 -3.385 1.00 0.00 C ATOM 0 H VAL A 85 1.738 0.441 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 85 4.293 -0.078 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 85 3.928 -2.404 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.059 -3.237 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.898 -2.129 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.907 -1.562 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.512 -2.901 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.360 -1.225 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.101 -1.554 -2.680 1.00 0.00 H new ATOM 1312 N GLU A 86 3.220 0.887 -4.364 1.00 0.00 N ATOM 1313 CA GLU A 86 3.550 1.782 -5.516 1.00 0.00 C ATOM 1314 C GLU A 86 4.301 0.980 -6.579 1.00 0.00 C ATOM 1315 O GLU A 86 5.102 1.513 -7.322 1.00 0.00 O ATOM 1316 CB GLU A 86 4.421 2.952 -5.054 1.00 0.00 C ATOM 1317 CG GLU A 86 4.446 4.023 -6.147 1.00 0.00 C ATOM 1318 CD GLU A 86 5.709 4.873 -6.000 1.00 0.00 C ATOM 1319 OE1 GLU A 86 6.717 4.332 -5.576 1.00 0.00 O ATOM 1320 OE2 GLU A 86 5.647 6.050 -6.313 1.00 0.00 O ATOM 0 H GLU A 86 2.270 0.515 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 86 2.623 2.177 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.028 3.370 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.433 2.607 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.423 3.554 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.560 4.654 -6.073 1.00 0.00 H new ATOM 1327 N LYS A 87 4.048 -0.298 -6.658 1.00 0.00 N ATOM 1328 CA LYS A 87 4.746 -1.138 -7.672 1.00 0.00 C ATOM 1329 C LYS A 87 4.786 -0.396 -9.010 1.00 0.00 C ATOM 1330 O LYS A 87 3.944 0.431 -9.298 1.00 0.00 O ATOM 1331 CB LYS A 87 3.993 -2.458 -7.845 1.00 0.00 C ATOM 1332 CG LYS A 87 4.981 -3.566 -8.214 1.00 0.00 C ATOM 1333 CD LYS A 87 4.296 -4.928 -8.076 1.00 0.00 C ATOM 1334 CE LYS A 87 5.344 -6.038 -8.169 1.00 0.00 C ATOM 1335 NZ LYS A 87 4.684 -7.311 -8.575 1.00 0.00 N ATOM 0 H LYS A 87 3.387 -0.797 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 87 5.764 -1.340 -7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.471 -2.714 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.236 -2.358 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.335 -3.427 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.855 -3.519 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.771 -4.988 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.549 -5.052 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.113 -5.767 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.842 -6.164 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.396 -8.066 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.966 -7.570 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.229 -7.186 -9.502 1.00 0.00 H new ATOM 1349 N GLU A 88 5.759 -0.685 -9.830 1.00 0.00 N ATOM 1350 CA GLU A 88 5.852 0.005 -11.148 1.00 0.00 C ATOM 1351 C GLU A 88 5.210 -0.868 -12.227 1.00 0.00 C ATOM 1352 O GLU A 88 4.994 -0.435 -13.342 1.00 0.00 O ATOM 1353 CB GLU A 88 7.323 0.244 -11.494 1.00 0.00 C ATOM 1354 CG GLU A 88 7.432 1.401 -12.490 1.00 0.00 C ATOM 1355 CD GLU A 88 7.689 2.705 -11.732 1.00 0.00 C ATOM 1356 OE1 GLU A 88 8.524 2.695 -10.842 1.00 0.00 O ATOM 1357 OE2 GLU A 88 7.047 3.691 -12.053 1.00 0.00 O ATOM 0 H GLU A 88 6.493 -1.368 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 88 5.330 0.961 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.887 0.474 -10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.759 -0.659 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.241 1.212 -13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.514 1.481 -13.072 1.00 0.00 H new ATOM 1364 N ALA A 89 4.902 -2.095 -11.907 1.00 0.00 N ATOM 1365 CA ALA A 89 4.274 -2.994 -12.916 1.00 0.00 C ATOM 1366 C ALA A 89 5.334 -3.453 -13.919 1.00 0.00 C ATOM 1367 O ALA A 89 6.166 -2.681 -14.354 1.00 0.00 O ATOM 1368 CB ALA A 89 3.167 -2.238 -13.653 1.00 0.00 C ATOM 0 H ALA A 89 5.058 -2.514 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 89 3.848 -3.863 -12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.707 -2.895 -14.391 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.412 -1.911 -12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.592 -1.369 -14.155 1.00 0.00 H new ATOM 1374 N ASP A 90 5.312 -4.703 -14.290 1.00 0.00 N ATOM 1375 CA ASP A 90 6.318 -5.210 -15.265 1.00 0.00 C ATOM 1376 C ASP A 90 6.042 -6.684 -15.563 1.00 0.00 C ATOM 1377 O ASP A 90 6.347 -7.555 -14.773 1.00 0.00 O ATOM 1378 CB ASP A 90 7.721 -5.063 -14.671 1.00 0.00 C ATOM 1379 CG ASP A 90 7.806 -5.849 -13.361 1.00 0.00 C ATOM 1380 OD1 ASP A 90 6.767 -6.258 -12.871 1.00 0.00 O ATOM 1381 OD2 ASP A 90 8.909 -6.028 -12.871 1.00 0.00 O ATOM 0 H ASP A 90 4.640 -5.396 -13.960 1.00 0.00 H new ATOM 0 HA ASP A 90 6.252 -4.635 -16.189 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.466 -5.430 -15.377 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.943 -4.011 -14.491 1.00 0.00 H new ATOM 1386 N ILE A 91 5.467 -6.972 -16.699 1.00 0.00 N ATOM 1387 CA ILE A 91 5.172 -8.390 -17.047 1.00 0.00 C ATOM 1388 C ILE A 91 5.963 -8.784 -18.296 1.00 0.00 C ATOM 1389 O ILE A 91 6.321 -7.950 -19.104 1.00 0.00 O ATOM 1390 CB ILE A 91 3.675 -8.547 -17.321 1.00 0.00 C ATOM 1391 CG1 ILE A 91 3.398 -9.961 -17.835 1.00 0.00 C ATOM 1392 CG2 ILE A 91 3.239 -7.528 -18.374 1.00 0.00 C ATOM 1393 CD1 ILE A 91 1.970 -10.369 -17.466 1.00 0.00 C ATOM 0 H ILE A 91 5.189 -6.286 -17.401 1.00 0.00 H new ATOM 0 HA ILE A 91 5.459 -9.035 -16.217 1.00 0.00 H new ATOM 0 HB ILE A 91 3.117 -8.378 -16.400 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.530 -9.998 -18.916 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.111 -10.663 -17.402 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.172 -7.640 -18.569 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.437 -6.520 -18.009 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.796 -7.696 -19.296 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.773 -11.377 -17.833 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.854 -10.348 -16.382 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.264 -9.674 -17.920 1.00 0.00 H new ATOM 1405 N SER A 92 6.240 -10.049 -18.460 1.00 0.00 N ATOM 1406 CA SER A 92 7.007 -10.494 -19.657 1.00 0.00 C ATOM 1407 C SER A 92 7.509 -11.923 -19.437 1.00 0.00 C ATOM 1408 O SER A 92 8.463 -12.153 -18.721 1.00 0.00 O ATOM 1409 CB SER A 92 8.201 -9.563 -19.872 1.00 0.00 C ATOM 1410 OG SER A 92 7.836 -8.537 -20.787 1.00 0.00 O ATOM 0 H SER A 92 5.968 -10.793 -17.817 1.00 0.00 H new ATOM 0 HA SER A 92 6.361 -10.466 -20.534 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.512 -9.126 -18.923 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.051 -10.126 -20.258 1.00 0.00 H new ATOM 0 HG SER A 92 7.089 -8.021 -20.419 1.00 0.00 H new ATOM 1416 N ALA A 93 6.874 -12.885 -20.049 1.00 0.00 N ATOM 1417 CA ALA A 93 7.315 -14.297 -19.875 1.00 0.00 C ATOM 1418 C ALA A 93 8.821 -14.396 -20.128 1.00 0.00 C ATOM 1419 O ALA A 93 9.603 -14.579 -19.216 1.00 0.00 O ATOM 1420 CB ALA A 93 6.572 -15.190 -20.870 1.00 0.00 C ATOM 0 H ALA A 93 6.069 -12.754 -20.662 1.00 0.00 H new ATOM 0 HA ALA A 93 7.095 -14.623 -18.859 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.895 -16.223 -20.743 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.499 -15.120 -20.691 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.792 -14.864 -21.886 1.00 0.00 H new ATOM 1426 N PHE A 94 9.234 -14.276 -21.360 1.00 0.00 N ATOM 1427 CA PHE A 94 10.689 -14.363 -21.669 1.00 0.00 C ATOM 1428 C PHE A 94 11.245 -15.685 -21.139 1.00 0.00 C ATOM 1429 O PHE A 94 11.918 -15.726 -20.128 1.00 0.00 O ATOM 1430 CB PHE A 94 11.423 -13.197 -21.003 1.00 0.00 C ATOM 1431 CG PHE A 94 12.020 -12.305 -22.065 1.00 0.00 C ATOM 1432 CD1 PHE A 94 11.242 -11.300 -22.654 1.00 0.00 C ATOM 1433 CD2 PHE A 94 13.351 -12.482 -22.462 1.00 0.00 C ATOM 1434 CE1 PHE A 94 11.796 -10.473 -23.639 1.00 0.00 C ATOM 1435 CE2 PHE A 94 13.904 -11.655 -23.446 1.00 0.00 C ATOM 1436 CZ PHE A 94 13.127 -10.651 -24.035 1.00 0.00 C ATOM 0 H PHE A 94 8.627 -14.122 -22.165 1.00 0.00 H new ATOM 0 HA PHE A 94 10.834 -14.315 -22.748 1.00 0.00 H new ATOM 0 HB2 PHE A 94 10.733 -12.627 -20.380 1.00 0.00 H new ATOM 0 HB3 PHE A 94 12.207 -13.574 -20.347 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.215 -11.163 -22.349 1.00 0.00 H new ATOM 0 HD2 PHE A 94 13.951 -13.257 -22.009 1.00 0.00 H new ATOM 0 HE1 PHE A 94 11.197 -9.698 -24.093 1.00 0.00 H new ATOM 0 HE2 PHE A 94 14.931 -11.792 -23.751 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.554 -10.014 -24.795 1.00 0.00 H new ATOM 1446 N ALA A 95 10.970 -16.769 -21.812 1.00 0.00 N ATOM 1447 CA ALA A 95 11.484 -18.087 -21.346 1.00 0.00 C ATOM 1448 C ALA A 95 12.935 -18.258 -21.797 1.00 0.00 C ATOM 1449 O ALA A 95 13.657 -19.097 -21.296 1.00 0.00 O ATOM 1450 CB ALA A 95 10.629 -19.207 -21.942 1.00 0.00 C ATOM 0 H ALA A 95 10.411 -16.798 -22.665 1.00 0.00 H new ATOM 0 HA ALA A 95 11.435 -18.132 -20.258 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.005 -20.172 -21.601 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.595 -19.086 -21.620 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.678 -19.162 -23.030 1.00 0.00 H new ATOM 1456 N ASP A 96 13.370 -17.468 -22.740 1.00 0.00 N ATOM 1457 CA ASP A 96 14.775 -17.585 -23.223 1.00 0.00 C ATOM 1458 C ASP A 96 15.614 -16.451 -22.631 1.00 0.00 C ATOM 1459 O ASP A 96 15.092 -15.452 -22.177 1.00 0.00 O ATOM 1460 CB ASP A 96 14.799 -17.495 -24.750 1.00 0.00 C ATOM 1461 CG ASP A 96 13.917 -18.596 -25.341 1.00 0.00 C ATOM 1462 OD1 ASP A 96 12.733 -18.601 -25.046 1.00 0.00 O ATOM 1463 OD2 ASP A 96 14.440 -19.415 -26.079 1.00 0.00 O ATOM 0 H ASP A 96 12.813 -16.746 -23.197 1.00 0.00 H new ATOM 0 HA ASP A 96 15.188 -18.544 -22.910 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.443 -16.517 -25.073 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.821 -17.598 -25.115 1.00 0.00 H new ATOM 1468 N TYR A 97 16.910 -16.597 -22.632 1.00 0.00 N ATOM 1469 CA TYR A 97 17.781 -15.526 -22.069 1.00 0.00 C ATOM 1470 C TYR A 97 19.119 -15.515 -22.811 1.00 0.00 C ATOM 1471 O TYR A 97 20.094 -16.082 -22.360 1.00 0.00 O ATOM 1472 CB TYR A 97 18.024 -15.796 -20.583 1.00 0.00 C ATOM 1473 CG TYR A 97 16.700 -15.866 -19.861 1.00 0.00 C ATOM 1474 CD1 TYR A 97 15.948 -14.702 -19.661 1.00 0.00 C ATOM 1475 CD2 TYR A 97 16.224 -17.096 -19.390 1.00 0.00 C ATOM 1476 CE1 TYR A 97 14.720 -14.768 -18.992 1.00 0.00 C ATOM 1477 CE2 TYR A 97 14.996 -17.162 -18.721 1.00 0.00 C ATOM 1478 CZ TYR A 97 14.244 -15.998 -18.522 1.00 0.00 C ATOM 1479 OH TYR A 97 13.034 -16.062 -17.862 1.00 0.00 O ATOM 0 H TYR A 97 17.404 -17.411 -22.998 1.00 0.00 H new ATOM 0 HA TYR A 97 17.292 -14.559 -22.187 1.00 0.00 H new ATOM 0 HB2 TYR A 97 18.569 -16.731 -20.457 1.00 0.00 H new ATOM 0 HB3 TYR A 97 18.642 -15.007 -20.155 1.00 0.00 H new ATOM 0 HD1 TYR A 97 16.315 -13.753 -20.023 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.804 -17.994 -19.543 1.00 0.00 H new ATOM 0 HE1 TYR A 97 14.140 -13.870 -18.838 1.00 0.00 H new ATOM 0 HE2 TYR A 97 14.629 -18.111 -18.358 1.00 0.00 H new ATOM 0 HH TYR A 97 12.327 -15.709 -18.441 1.00 0.00 H new ATOM 1489 N ARG A 98 19.173 -14.873 -23.946 1.00 0.00 N ATOM 1490 CA ARG A 98 20.448 -14.826 -24.714 1.00 0.00 C ATOM 1491 C ARG A 98 21.614 -14.530 -23.764 1.00 0.00 C ATOM 1492 O ARG A 98 22.589 -15.255 -23.743 1.00 0.00 O ATOM 1493 CB ARG A 98 20.364 -13.730 -25.780 1.00 0.00 C ATOM 1494 CG ARG A 98 20.702 -14.322 -27.149 1.00 0.00 C ATOM 1495 CD ARG A 98 22.121 -13.911 -27.548 1.00 0.00 C ATOM 1496 NE ARG A 98 22.481 -14.557 -28.841 1.00 0.00 N ATOM 1497 CZ ARG A 98 21.671 -14.471 -29.861 1.00 0.00 C ATOM 1498 NH1 ARG A 98 21.076 -13.341 -30.127 1.00 0.00 N ATOM 1499 NH2 ARG A 98 21.457 -15.515 -30.614 1.00 0.00 N ATOM 0 H ARG A 98 18.390 -14.380 -24.374 1.00 0.00 H new ATOM 0 HA ARG A 98 20.613 -15.789 -25.196 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.363 -13.299 -25.796 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.055 -12.922 -25.541 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.623 -15.409 -27.117 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.988 -13.972 -27.894 1.00 0.00 H new ATOM 0 HD2 ARG A 98 22.184 -12.827 -27.641 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.828 -14.206 -26.773 1.00 0.00 H new ATOM 0 HE ARG A 98 23.360 -15.066 -28.929 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.244 -12.525 -29.538 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.443 -13.273 -30.924 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.923 -16.398 -30.406 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.824 -15.448 -31.411 1.00 0.00 H new ATOM 1513 N PRO A 99 21.480 -13.471 -23.005 1.00 0.00 N ATOM 1514 CA PRO A 99 22.514 -13.053 -22.041 1.00 0.00 C ATOM 1515 C PRO A 99 22.443 -13.915 -20.777 1.00 0.00 C ATOM 1516 O PRO A 99 21.768 -14.924 -20.739 1.00 0.00 O ATOM 1517 CB PRO A 99 22.150 -11.599 -21.733 1.00 0.00 C ATOM 1518 CG PRO A 99 20.650 -11.442 -22.074 1.00 0.00 C ATOM 1519 CD PRO A 99 20.292 -12.591 -23.035 1.00 0.00 C ATOM 0 HA PRO A 99 23.529 -13.160 -22.425 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.336 -11.366 -20.685 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.756 -10.913 -22.325 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.041 -11.489 -21.171 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.458 -10.475 -22.539 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.396 -13.119 -22.708 1.00 0.00 H new ATOM 0 HD3 PRO A 99 20.095 -12.222 -24.041 1.00 0.00 H new ATOM 1527 N THR A 100 23.135 -13.523 -19.742 1.00 0.00 N ATOM 1528 CA THR A 100 23.106 -14.319 -18.482 1.00 0.00 C ATOM 1529 C THR A 100 22.665 -13.423 -17.323 1.00 0.00 C ATOM 1530 O THR A 100 21.532 -13.471 -16.886 1.00 0.00 O ATOM 1531 CB THR A 100 24.505 -14.872 -18.196 1.00 0.00 C ATOM 1532 OG1 THR A 100 25.441 -14.263 -19.075 1.00 0.00 O ATOM 1533 CG2 THR A 100 24.511 -16.386 -18.411 1.00 0.00 C ATOM 0 H THR A 100 23.719 -12.687 -19.714 1.00 0.00 H new ATOM 0 HA THR A 100 22.403 -15.145 -18.590 1.00 0.00 H new ATOM 0 HB THR A 100 24.779 -14.653 -17.164 1.00 0.00 H new ATOM 0 HG1 THR A 100 26.338 -14.614 -18.893 1.00 0.00 H new ATOM 0 HG21 THR A 100 25.507 -16.778 -18.207 1.00 0.00 H new ATOM 0 HG22 THR A 100 23.792 -16.852 -17.737 1.00 0.00 H new ATOM 0 HG23 THR A 100 24.238 -16.608 -19.443 1.00 0.00 H new ATOM 1541 N GLU A 101 23.551 -12.607 -16.821 1.00 0.00 N ATOM 1542 CA GLU A 101 23.181 -11.709 -15.691 1.00 0.00 C ATOM 1543 C GLU A 101 23.518 -10.262 -16.057 1.00 0.00 C ATOM 1544 O GLU A 101 23.907 -9.968 -17.170 1.00 0.00 O ATOM 1545 CB GLU A 101 23.964 -12.115 -14.441 1.00 0.00 C ATOM 1546 CG GLU A 101 23.003 -12.251 -13.258 1.00 0.00 C ATOM 1547 CD GLU A 101 23.581 -11.520 -12.044 1.00 0.00 C ATOM 1548 OE1 GLU A 101 24.011 -10.390 -12.207 1.00 0.00 O ATOM 1549 OE2 GLU A 101 23.583 -12.103 -10.972 1.00 0.00 O ATOM 0 H GLU A 101 24.515 -12.523 -17.144 1.00 0.00 H new ATOM 0 HA GLU A 101 22.112 -11.794 -15.494 1.00 0.00 H new ATOM 0 HB2 GLU A 101 24.481 -13.059 -14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.727 -11.369 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.029 -11.835 -13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.847 -13.304 -13.022 1.00 0.00 H new ATOM 1556 N VAL A 102 23.371 -9.356 -15.130 1.00 0.00 N ATOM 1557 CA VAL A 102 23.683 -7.930 -15.426 1.00 0.00 C ATOM 1558 C VAL A 102 25.164 -7.664 -15.151 1.00 0.00 C ATOM 1559 O VAL A 102 25.607 -6.533 -15.120 1.00 0.00 O ATOM 1560 CB VAL A 102 22.829 -7.026 -14.535 1.00 0.00 C ATOM 1561 CG1 VAL A 102 22.753 -5.627 -15.149 1.00 0.00 C ATOM 1562 CG2 VAL A 102 21.418 -7.608 -14.422 1.00 0.00 C ATOM 0 H VAL A 102 23.048 -9.542 -14.180 1.00 0.00 H new ATOM 0 HA VAL A 102 23.465 -7.720 -16.473 1.00 0.00 H new ATOM 0 HB VAL A 102 23.279 -6.964 -13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 102 22.144 -4.983 -14.514 1.00 0.00 H new ATOM 0 HG12 VAL A 102 23.757 -5.211 -15.231 1.00 0.00 H new ATOM 0 HG13 VAL A 102 22.303 -5.689 -16.140 1.00 0.00 H new ATOM 0 HG21 VAL A 102 20.809 -6.965 -13.787 1.00 0.00 H new ATOM 0 HG22 VAL A 102 20.969 -7.670 -15.413 1.00 0.00 H new ATOM 0 HG23 VAL A 102 21.470 -8.605 -13.985 1.00 0.00 H new ATOM 1572 N THR A 103 25.935 -8.698 -14.951 1.00 0.00 N ATOM 1573 CA THR A 103 27.387 -8.503 -14.678 1.00 0.00 C ATOM 1574 C THR A 103 28.166 -8.571 -15.993 1.00 0.00 C ATOM 1575 O THR A 103 28.515 -9.635 -16.464 1.00 0.00 O ATOM 1576 CB THR A 103 27.881 -9.603 -13.735 1.00 0.00 C ATOM 1577 OG1 THR A 103 26.951 -9.766 -12.673 1.00 0.00 O ATOM 1578 CG2 THR A 103 29.246 -9.215 -13.166 1.00 0.00 C ATOM 0 H THR A 103 25.622 -9.669 -14.965 1.00 0.00 H new ATOM 0 HA THR A 103 27.542 -7.529 -14.213 1.00 0.00 H new ATOM 0 HB THR A 103 27.973 -10.540 -14.285 1.00 0.00 H new ATOM 0 HG1 THR A 103 27.265 -10.471 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 103 29.597 -9.999 -12.495 1.00 0.00 H new ATOM 0 HG22 THR A 103 29.958 -9.090 -13.982 1.00 0.00 H new ATOM 0 HG23 THR A 103 29.158 -8.279 -12.615 1.00 0.00 H new ATOM 1586 N ASP A 104 28.442 -7.444 -16.589 1.00 0.00 N ATOM 1587 CA ASP A 104 29.198 -7.445 -17.873 1.00 0.00 C ATOM 1588 C ASP A 104 30.625 -7.938 -17.623 1.00 0.00 C ATOM 1589 O ASP A 104 31.480 -7.197 -17.180 1.00 0.00 O ATOM 1590 CB ASP A 104 29.242 -6.024 -18.440 1.00 0.00 C ATOM 1591 CG ASP A 104 28.036 -5.803 -19.356 1.00 0.00 C ATOM 1592 OD1 ASP A 104 26.928 -5.776 -18.846 1.00 0.00 O ATOM 1593 OD2 ASP A 104 28.242 -5.664 -20.550 1.00 0.00 O ATOM 0 H ASP A 104 28.177 -6.522 -16.242 1.00 0.00 H new ATOM 0 HA ASP A 104 28.704 -8.106 -18.586 1.00 0.00 H new ATOM 0 HB2 ASP A 104 29.234 -5.297 -17.628 1.00 0.00 H new ATOM 0 HB3 ASP A 104 30.167 -5.871 -18.996 1.00 0.00 H new ATOM 1598 N LEU A 105 30.889 -9.185 -17.904 1.00 0.00 N ATOM 1599 CA LEU A 105 32.260 -9.725 -17.682 1.00 0.00 C ATOM 1600 C LEU A 105 33.249 -8.993 -18.593 1.00 0.00 C ATOM 1601 O LEU A 105 33.141 -9.034 -19.802 1.00 0.00 O ATOM 1602 CB LEU A 105 32.278 -11.220 -18.006 1.00 0.00 C ATOM 1603 CG LEU A 105 33.588 -11.834 -17.510 1.00 0.00 C ATOM 1604 CD1 LEU A 105 33.727 -11.595 -16.006 1.00 0.00 C ATOM 1605 CD2 LEU A 105 33.582 -13.339 -17.789 1.00 0.00 C ATOM 0 H LEU A 105 30.215 -9.853 -18.278 1.00 0.00 H new ATOM 0 HA LEU A 105 32.546 -9.576 -16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.430 -11.716 -17.533 1.00 0.00 H new ATOM 0 HB3 LEU A 105 32.177 -11.371 -19.081 1.00 0.00 H new ATOM 0 HG LEU A 105 34.427 -11.370 -18.030 1.00 0.00 H new ATOM 0 HD11 LEU A 105 34.661 -12.033 -15.653 1.00 0.00 H new ATOM 0 HD12 LEU A 105 33.730 -10.523 -15.807 1.00 0.00 H new ATOM 0 HD13 LEU A 105 32.889 -12.058 -15.485 1.00 0.00 H new ATOM 0 HD21 LEU A 105 34.515 -13.778 -17.436 1.00 0.00 H new ATOM 0 HD22 LEU A 105 32.743 -13.802 -17.269 1.00 0.00 H new ATOM 0 HD23 LEU A 105 33.483 -13.510 -18.861 1.00 0.00 H new ATOM 1617 N LYS A 106 34.213 -8.325 -18.021 1.00 0.00 N ATOM 1618 CA LYS A 106 35.207 -7.592 -18.855 1.00 0.00 C ATOM 1619 C LYS A 106 35.740 -8.521 -19.948 1.00 0.00 C ATOM 1620 O LYS A 106 36.014 -9.669 -19.640 1.00 0.00 O ATOM 1621 CB LYS A 106 36.367 -7.125 -17.973 1.00 0.00 C ATOM 1622 CG LYS A 106 36.341 -5.599 -17.860 1.00 0.00 C ATOM 1623 CD LYS A 106 36.377 -5.195 -16.385 1.00 0.00 C ATOM 1624 CE LYS A 106 37.776 -4.689 -16.028 1.00 0.00 C ATOM 1625 NZ LYS A 106 38.721 -5.840 -15.973 1.00 0.00 N ATOM 1626 OXT LYS A 106 35.864 -8.068 -21.074 1.00 0.00 O ATOM 0 H LYS A 106 34.355 -8.255 -17.013 1.00 0.00 H new ATOM 0 HA LYS A 106 34.728 -6.727 -19.315 1.00 0.00 H new ATOM 0 HB2 LYS A 106 36.289 -7.575 -16.983 1.00 0.00 H new ATOM 0 HB3 LYS A 106 37.316 -7.453 -18.398 1.00 0.00 H new ATOM 0 HG2 LYS A 106 37.194 -5.170 -18.386 1.00 0.00 H new ATOM 0 HG3 LYS A 106 35.443 -5.204 -18.334 1.00 0.00 H new ATOM 0 HD2 LYS A 106 35.637 -4.418 -16.192 1.00 0.00 H new ATOM 0 HD3 LYS A 106 36.116 -6.047 -15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 106 38.112 -3.964 -16.769 1.00 0.00 H new ATOM 0 HE3 LYS A 106 37.755 -4.176 -15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 39.672 -5.497 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 38.402 -6.517 -15.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 38.749 -6.311 -16.900 1.00 0.00 H new TER 1640 LYS A 106 END