USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 310 hydrogens (0 hets) HEADER HYDROLASE 20-OCT-00 1E9K TITLE THE STRUCTURE OF THE RACK1 INTERACTION SITES LOCATED WITHIN TITLE 2 THE UNIQUE N-TERMINAL REGION OF THE CAMP-SPECIFIC TITLE 3 PHOSPHODIESTERASE, PDE4D5. COMPND MOL_ID: 1; COMPND 2 MOLECULE: CAMP SPECIFIC PHOSPHODIESTERASE PDE4D5; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RACK1 INTERACTION SITE WITHIN UNIQUE N-TERMINAL COMPND 5 REGION (RESIDUES 12-49); COMPND 6 EC: 3.1.4.17 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606 KEYWDS HYDROLASE, CAMP-SPECIFIC PHOSPHODIESTERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR G.B.BOLGER,K.J.SMITH,A.MCCAHILL,E.I.HYDE,M.R.STEELE, AUTHOR 2 M.D.HOUSLAY REVDAT 2 24-FEB-09 1E9K 1 VERSN REVDAT 1 18-OCT-01 1E9K 0 JRNL AUTH K.J.SMITH,G.S.BAILLIE,E.I.HYDE,X.LI,T.M.HOUSLAY, JRNL AUTH 2 A.MCCAHILL,A.J.DUNLOP,G.B.BOLGER,E.KLUSSMANN, JRNL AUTH 3 D.R.ADAMS,M.D.HOUSLAY JRNL TITL 1H NMR STRUCTURAL AND FUNCTIONAL CHARACTERISATION JRNL TITL 2 OF A CAMP-SPECIFIC PHOSPHODIESTERASE-4D5 (PDE4D5) JRNL TITL 3 N-TERMINAL REGION PEPTIDE THAT DISRUPTS PDE4D5 JRNL TITL 4 INTERACTION WITH THE SIGNALLING SCAFFOLD PROTEINS, JRNL TITL 5 BETA-ARRESTIN AND RACK1. JRNL REF CELL.SIGNAL V. 19 2612 2007 JRNL REFN ISSN 0898-6568 JRNL PMID 17900862 JRNL DOI 10.1016/J.CELLSIG.2007.08.015 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE REMARK 4 REMARK 4 1E9K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 20-OCT-00. REMARK 100 THE PDBE ID CODE IS EBI-5453. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 5.8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; COSY; TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600 REMARK 210 SPECTROMETER MODEL : AMX; UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MEAN STRUCTURE 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: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O PRO A 10 - CD PRO A 12 2.15 REMARK 500 HB2 ASN A 11 - HE3 TRP A 13 1.39 REMARK 500 O LYS A 20 - N GLU A 24 2.19 REMARK 500 O LYS A 20 - H GLU A 24 1.37 REMARK 500 O SER A 21 - OD1 ASN A 25 2.15 REMARK 500 HG3 GLU A 24 - HG3 GLN A 28 1.46 REMARK 500 O SER A 32 - H THR A 34 1.49 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 PRO A 12 N PRO A 12 CA -0.108 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASN A 11 CB - CA - C ANGL. DEV. = 14.8 DEGREES REMARK 500 TRP A 13 CG - CD2 - CE3 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP A 13 NE1 - CE2 - CZ2 ANGL. DEV. = 6.7 DEGREES REMARK 500 LYS A 20 N - CA - CB ANGL. DEV. = -11.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 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 GLU A 3 38.51 -175.32 REMARK 500 VAL A 4 -72.51 -61.90 REMARK 500 ASP A 5 45.69 -161.36 REMARK 500 ASN A 6 85.77 -152.30 REMARK 500 HIS A 8 -33.52 -177.06 REMARK 500 PRO A 10 -83.60 -67.30 REMARK 500 ASN A 11 79.51 -118.66 REMARK 500 LEU A 18 21.02 -161.64 REMARK 500 LEU A 22 39.71 -57.44 REMARK 500 ARG A 23 -63.62 -170.60 REMARK 500 GLU A 24 39.73 -77.10 REMARK 500 LEU A 27 16.04 -148.67 REMARK 500 LYS A 31 -39.03 -33.01 REMARK 500 SER A 32 -82.70 -73.76 REMARK 500 LYS A 33 49.78 -69.36 REMARK 500 THR A 34 -30.28 -178.57 REMARK 500 ARG A 36 -0.23 -142.82 REMARK 500 LYS A 37 -96.31 -104.81 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 23 0.31 SIDE CHAIN REMARK 500 ARG A 36 0.29 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ASN A 11 21.0 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL DBREF 1E9K A 1 38 UNP CAC03757 CAC03757 12 49 SEQRES 1 A 38 VAL PRO GLU VAL ASP ASN PRO HIS CYS PRO ASN PRO TRP SEQRES 2 A 38 LEU ASN GLU ASP LEU VAL LYS SER LEU ARG GLU ASN LEU SEQRES 3 A 38 LEU GLN HIS GLU LYS SER LYS THR ALA ARG LYS SER HELIX 1 1 ASN A 11 VAL A 19 1 9 HELIX 2 2 GLN A 28 ARG A 36 1 9 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS :FLIP no HD1:sc= -5.03! C(o=-9.5!,f=-4.3!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -157:sc= 0.689 (180deg=-0.291) USER MOD Set 2.1: A 15 ASN : amide:sc= -9.93! C(o=-10!,f=-9.9!) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -174:sc= -0.286 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -111:sc= 0.00839 (180deg=-0.419) USER MOD Single : A 6 ASN :FLIP amide:sc= -2.19! C(o=-3.5!,f=-2.2!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 CYS SG : rot 180:sc= -5.15! USER MOD Single : A 11 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 21 SER OG : rot -140:sc= -0.713 USER MOD Single : A 25 ASN : amide:sc= -25.5! C(o=-26!,f=-33!) USER MOD Single : A 28 GLN :FLIP amide:sc= -1.65 F(o=-3.3,f=-1.7) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 323.689 3.324 -15.935 1.00 0.00 N ATOM 2 CA VAL A 1 323.241 2.160 -15.119 1.00 0.00 C ATOM 3 C VAL A 1 321.906 2.481 -14.436 1.00 0.00 C ATOM 4 O VAL A 1 321.652 3.622 -14.099 1.00 0.00 O ATOM 5 CB VAL A 1 324.346 1.957 -14.082 1.00 0.00 C ATOM 6 CG1 VAL A 1 324.255 3.043 -13.008 1.00 0.00 C ATOM 7 CG2 VAL A 1 324.187 0.582 -13.429 1.00 0.00 C ATOM 0 H1 VAL A 1 323.630 3.083 -16.945 1.00 0.00 H new ATOM 0 H2 VAL A 1 323.078 4.142 -15.738 1.00 0.00 H new ATOM 0 H3 VAL A 1 324.672 3.560 -15.692 1.00 0.00 H new ATOM 0 HA VAL A 1 323.082 1.265 -15.720 1.00 0.00 H new ATOM 0 HB VAL A 1 325.316 2.018 -14.575 1.00 0.00 H new ATOM 0 HG11 VAL A 1 325.045 2.894 -12.272 1.00 0.00 H new ATOM 0 HG12 VAL A 1 324.371 4.023 -13.471 1.00 0.00 H new ATOM 0 HG13 VAL A 1 323.284 2.987 -12.515 1.00 0.00 H new ATOM 0 HG21 VAL A 1 324.975 0.437 -12.690 1.00 0.00 H new ATOM 0 HG22 VAL A 1 323.215 0.522 -12.940 1.00 0.00 H new ATOM 0 HG23 VAL A 1 324.258 -0.193 -14.192 1.00 0.00 H new ATOM 19 N PRO A 2 321.093 1.462 -14.268 1.00 0.00 N ATOM 20 CA PRO A 2 319.770 1.610 -13.627 1.00 0.00 C ATOM 21 C PRO A 2 319.848 1.236 -12.142 1.00 0.00 C ATOM 22 O PRO A 2 319.942 0.076 -11.792 1.00 0.00 O ATOM 23 CB PRO A 2 318.930 0.585 -14.380 1.00 0.00 C ATOM 24 CG PRO A 2 319.906 -0.447 -14.888 1.00 0.00 C ATOM 25 CD PRO A 2 321.309 0.077 -14.664 1.00 0.00 C ATOM 0 HA PRO A 2 319.375 2.625 -13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 2 318.186 0.131 -13.725 1.00 0.00 H new ATOM 0 HB3 PRO A 2 318.389 1.051 -15.203 1.00 0.00 H new ATOM 0 HG2 PRO A 2 319.766 -1.393 -14.365 1.00 0.00 H new ATOM 0 HG3 PRO A 2 319.737 -0.641 -15.947 1.00 0.00 H new ATOM 0 HD2 PRO A 2 321.829 -0.486 -13.889 1.00 0.00 H new ATOM 0 HD3 PRO A 2 321.913 0.007 -15.569 1.00 0.00 H new ATOM 33 N GLU A 3 319.816 2.201 -11.266 1.00 0.00 N ATOM 34 CA GLU A 3 319.895 1.890 -9.808 1.00 0.00 C ATOM 35 C GLU A 3 319.721 3.173 -8.993 1.00 0.00 C ATOM 36 O GLU A 3 320.366 3.372 -7.984 1.00 0.00 O ATOM 37 CB GLU A 3 321.289 1.272 -9.559 1.00 0.00 C ATOM 38 CG GLU A 3 322.238 1.527 -10.743 1.00 0.00 C ATOM 39 CD GLU A 3 323.683 1.571 -10.243 1.00 0.00 C ATOM 40 OE1 GLU A 3 324.303 0.521 -10.185 1.00 0.00 O ATOM 41 OE2 GLU A 3 324.149 2.655 -9.930 1.00 0.00 O ATOM 0 H GLU A 3 319.739 3.192 -11.495 1.00 0.00 H new ATOM 0 HA GLU A 3 319.109 1.198 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 3 321.718 1.694 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 3 321.189 0.199 -9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 3 322.125 0.740 -11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 3 321.983 2.468 -11.231 1.00 0.00 H new ATOM 48 N VAL A 4 318.850 4.045 -9.426 1.00 0.00 N ATOM 49 CA VAL A 4 318.632 5.317 -8.678 1.00 0.00 C ATOM 50 C VAL A 4 318.115 5.022 -7.268 1.00 0.00 C ATOM 51 O VAL A 4 318.825 5.175 -6.294 1.00 0.00 O ATOM 52 CB VAL A 4 317.580 6.078 -9.483 1.00 0.00 C ATOM 53 CG1 VAL A 4 317.228 7.377 -8.757 1.00 0.00 C ATOM 54 CG2 VAL A 4 318.138 6.403 -10.871 1.00 0.00 C ATOM 0 H VAL A 4 318.281 3.932 -10.265 1.00 0.00 H new ATOM 0 HA VAL A 4 319.553 5.890 -8.566 1.00 0.00 H new ATOM 0 HB VAL A 4 316.685 5.465 -9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 4 316.477 7.922 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 4 316.832 7.145 -7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 4 318.123 7.991 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 4 317.388 6.946 -11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 4 319.032 7.018 -10.769 1.00 0.00 H new ATOM 0 HG23 VAL A 4 318.391 5.477 -11.387 1.00 0.00 H new ATOM 64 N ASP A 5 316.883 4.605 -7.147 1.00 0.00 N ATOM 65 CA ASP A 5 316.335 4.311 -5.791 1.00 0.00 C ATOM 66 C ASP A 5 315.093 3.427 -5.882 1.00 0.00 C ATOM 67 O ASP A 5 314.105 3.665 -5.219 1.00 0.00 O ATOM 68 CB ASP A 5 315.983 5.677 -5.202 1.00 0.00 C ATOM 69 CG ASP A 5 314.736 6.226 -5.897 1.00 0.00 C ATOM 70 OD1 ASP A 5 314.620 6.038 -7.097 1.00 0.00 O ATOM 71 OD2 ASP A 5 313.920 6.826 -5.218 1.00 0.00 O ATOM 0 H ASP A 5 316.237 4.456 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 5 317.051 3.769 -5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 5 315.806 5.588 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 5 316.817 6.366 -5.331 1.00 0.00 H new ATOM 76 N ASN A 6 315.139 2.394 -6.674 1.00 0.00 N ATOM 77 CA ASN A 6 313.966 1.486 -6.766 1.00 0.00 C ATOM 78 C ASN A 6 314.427 0.083 -7.145 1.00 0.00 C ATOM 79 O ASN A 6 314.447 -0.332 -8.286 1.00 0.00 O ATOM 80 CB ASN A 6 313.008 2.138 -7.754 1.00 0.00 C ATOM 81 CG ASN A 6 312.663 1.223 -8.936 1.00 0.00 C ATOM 82 OD1 ASN A 6 312.106 0.062 -8.708 1.00 0.00 O flip ATOM 83 ND2 ASN A 6 312.900 1.568 -10.077 1.00 0.00 N flip ATOM 0 H ASN A 6 315.935 2.140 -7.259 1.00 0.00 H new ATOM 0 HA ASN A 6 313.442 1.351 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 6 312.091 2.416 -7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 6 313.452 3.059 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 6 313.334 2.473 -10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 6 312.664 0.952 -10.855 1.00 0.00 H new ATOM 90 N PRO A 7 314.773 -0.593 -6.107 1.00 0.00 N ATOM 91 CA PRO A 7 315.233 -1.993 -6.193 1.00 0.00 C ATOM 92 C PRO A 7 314.017 -2.918 -6.243 1.00 0.00 C ATOM 93 O PRO A 7 313.848 -3.737 -7.124 1.00 0.00 O ATOM 94 CB PRO A 7 315.957 -2.188 -4.869 1.00 0.00 C ATOM 95 CG PRO A 7 315.358 -1.194 -3.913 1.00 0.00 C ATOM 96 CD PRO A 7 314.763 -0.081 -4.737 1.00 0.00 C ATOM 0 HA PRO A 7 315.849 -2.203 -7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 7 315.830 -3.206 -4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 7 317.028 -2.022 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 7 314.593 -1.667 -3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 7 316.119 -0.806 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 7 313.751 0.157 -4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 7 315.350 0.834 -4.651 1.00 0.00 H new ATOM 104 N HIS A 8 313.181 -2.748 -5.273 1.00 0.00 N ATOM 105 CA HIS A 8 311.930 -3.528 -5.131 1.00 0.00 C ATOM 106 C HIS A 8 311.224 -2.952 -3.904 1.00 0.00 C ATOM 107 O HIS A 8 310.014 -2.851 -3.836 1.00 0.00 O ATOM 108 CB HIS A 8 312.353 -4.992 -4.930 1.00 0.00 C ATOM 109 CG HIS A 8 311.445 -5.882 -5.738 1.00 0.00 C ATOM 110 ND1 HIS A 8 310.194 -6.268 -5.282 1.00 0.00 N ATOM 111 CD2 HIS A 8 311.592 -6.470 -6.972 1.00 0.00 C ATOM 112 CE1 HIS A 8 309.642 -7.054 -6.225 1.00 0.00 C ATOM 113 NE2 HIS A 8 310.452 -7.210 -7.276 1.00 0.00 N ATOM 0 H HIS A 8 313.321 -2.062 -4.531 1.00 0.00 H new ATOM 0 HA HIS A 8 311.257 -3.478 -5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 8 313.389 -5.130 -5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 8 312.298 -5.258 -3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 8 312.459 -6.373 -7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 8 308.664 -7.504 -6.142 1.00 0.00 H new ATOM 0 HE2 HIS A 8 310.274 -7.754 -8.120 1.00 0.00 H new ATOM 121 N CYS A 9 312.018 -2.528 -2.951 1.00 0.00 N ATOM 122 CA CYS A 9 311.497 -1.895 -1.716 1.00 0.00 C ATOM 123 C CYS A 9 312.440 -0.736 -1.339 1.00 0.00 C ATOM 124 O CYS A 9 313.102 -0.766 -0.317 1.00 0.00 O ATOM 125 CB CYS A 9 311.529 -3.003 -0.664 1.00 0.00 C ATOM 126 SG CYS A 9 310.443 -2.565 0.714 1.00 0.00 S ATOM 0 H CYS A 9 313.035 -2.600 -2.987 1.00 0.00 H new ATOM 0 HA CYS A 9 310.492 -1.487 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 9 311.210 -3.947 -1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 9 312.548 -3.148 -0.305 1.00 0.00 H new ATOM 0 HG CYS A 9 310.471 -3.510 1.606 1.00 0.00 H new ATOM 132 N PRO A 10 312.473 0.250 -2.201 1.00 0.00 N ATOM 133 CA PRO A 10 313.354 1.434 -1.998 1.00 0.00 C ATOM 134 C PRO A 10 312.914 2.234 -0.836 1.00 0.00 C ATOM 135 O PRO A 10 313.317 2.114 0.379 1.00 0.00 O ATOM 136 CB PRO A 10 313.216 2.214 -3.311 1.00 0.00 C ATOM 137 CG PRO A 10 311.897 1.785 -3.878 1.00 0.00 C ATOM 138 CD PRO A 10 311.674 0.366 -3.431 1.00 0.00 C ATOM 0 HA PRO A 10 314.388 1.165 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 10 313.240 3.290 -3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 10 314.033 1.984 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 10 311.095 2.433 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 10 311.904 1.851 -4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 10 310.619 0.168 -3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 10 312.001 -0.347 -4.188 1.00 0.00 H new ATOM 146 N ASN A 11 312.023 3.020 -1.084 1.00 0.00 N ATOM 147 CA ASN A 11 311.558 3.731 0.055 1.00 0.00 C ATOM 148 C ASN A 11 310.188 3.567 0.430 1.00 0.00 C ATOM 149 O ASN A 11 309.264 4.333 0.245 1.00 0.00 O ATOM 150 CB ASN A 11 312.308 4.943 0.183 1.00 0.00 C ATOM 151 CG ASN A 11 311.731 6.148 -0.450 1.00 0.00 C ATOM 152 OD1 ASN A 11 311.402 7.088 0.347 1.00 0.00 O flip ATOM 153 ND2 ASN A 11 311.577 6.244 -1.651 1.00 0.00 N flip ATOM 0 H ASN A 11 311.590 3.217 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 11 311.783 3.242 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 11 312.445 5.148 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 11 313.299 4.777 -0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 11 311.850 5.475 -2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 11 311.175 7.093 -2.047 1.00 0.00 H new ATOM 160 N PRO A 12 310.219 2.444 1.043 1.00 0.00 N ATOM 161 CA PRO A 12 309.153 1.822 1.614 1.00 0.00 C ATOM 162 C PRO A 12 309.298 2.288 3.004 1.00 0.00 C ATOM 163 O PRO A 12 308.388 2.189 3.803 1.00 0.00 O ATOM 164 CB PRO A 12 309.537 0.377 1.466 1.00 0.00 C ATOM 165 CG PRO A 12 311.008 0.308 1.454 1.00 0.00 C ATOM 166 CD PRO A 12 311.440 1.655 1.323 1.00 0.00 C ATOM 0 HA PRO A 12 308.144 1.989 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 12 309.132 -0.213 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 12 309.126 -0.036 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 12 311.389 -0.141 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 12 311.367 -0.304 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 12 311.928 2.000 2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 12 312.165 1.756 0.515 1.00 0.00 H new ATOM 174 N TRP A 13 310.477 2.864 3.319 1.00 0.00 N ATOM 175 CA TRP A 13 310.567 3.369 4.694 1.00 0.00 C ATOM 176 C TRP A 13 309.336 4.185 4.951 1.00 0.00 C ATOM 177 O TRP A 13 308.856 4.283 6.062 1.00 0.00 O ATOM 178 CB TRP A 13 311.691 4.333 4.741 1.00 0.00 C ATOM 179 CG TRP A 13 312.982 3.670 4.573 1.00 0.00 C ATOM 180 CD1 TRP A 13 313.504 2.713 5.288 1.00 0.00 C ATOM 181 CD2 TRP A 13 313.859 3.938 3.563 1.00 0.00 C ATOM 182 NE1 TRP A 13 314.786 2.440 4.816 1.00 0.00 N ATOM 183 CE2 TRP A 13 315.029 3.193 3.688 1.00 0.00 C ATOM 184 CE3 TRP A 13 313.707 4.795 2.580 1.00 0.00 C ATOM 185 CZ2 TRP A 13 316.065 3.349 2.767 1.00 0.00 C ATOM 186 CZ3 TRP A 13 314.643 4.963 1.653 1.00 0.00 C ATOM 187 CH2 TRP A 13 315.861 4.250 1.707 1.00 0.00 C ATOM 0 H TRP A 13 311.291 2.982 2.716 1.00 0.00 H new ATOM 0 HA TRP A 13 310.686 2.548 5.402 1.00 0.00 H new ATOM 0 HB2 TRP A 13 311.562 5.080 3.958 1.00 0.00 H new ATOM 0 HB3 TRP A 13 311.676 4.863 5.693 1.00 0.00 H new ATOM 0 HD1 TRP A 13 313.020 2.212 6.114 1.00 0.00 H new ATOM 0 HE1 TRP A 13 315.443 1.785 5.240 1.00 0.00 H new ATOM 0 HE3 TRP A 13 312.799 5.377 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 316.989 2.798 2.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 314.470 5.657 0.844 1.00 0.00 H new ATOM 0 HH2 TRP A 13 316.619 4.394 0.951 1.00 0.00 H new ATOM 198 N LEU A 14 308.826 4.813 3.917 1.00 0.00 N ATOM 199 CA LEU A 14 307.636 5.642 4.181 1.00 0.00 C ATOM 200 C LEU A 14 306.474 5.451 3.242 1.00 0.00 C ATOM 201 O LEU A 14 305.316 5.698 3.563 1.00 0.00 O ATOM 202 CB LEU A 14 308.114 7.089 4.239 1.00 0.00 C ATOM 203 CG LEU A 14 309.101 7.345 3.100 1.00 0.00 C ATOM 204 CD1 LEU A 14 308.645 8.561 2.294 1.00 0.00 C ATOM 205 CD2 LEU A 14 310.491 7.611 3.680 1.00 0.00 C ATOM 0 H LEU A 14 309.168 4.785 2.956 1.00 0.00 H new ATOM 0 HA LEU A 14 307.203 5.320 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 14 307.265 7.767 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 14 308.590 7.288 5.199 1.00 0.00 H new ATOM 0 HG LEU A 14 309.139 6.471 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 14 309.349 8.744 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 14 307.654 8.373 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 14 308.607 9.435 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 14 311.195 7.794 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 14 310.453 8.485 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 14 310.817 6.744 4.255 1.00 0.00 H new ATOM 217 N ASN A 15 306.744 4.914 2.161 1.00 0.00 N ATOM 218 CA ASN A 15 305.676 4.573 1.221 1.00 0.00 C ATOM 219 C ASN A 15 304.737 3.757 1.946 1.00 0.00 C ATOM 220 O ASN A 15 303.532 3.838 1.909 1.00 0.00 O ATOM 221 CB ASN A 15 306.370 3.659 0.225 1.00 0.00 C ATOM 222 CG ASN A 15 305.668 2.306 -0.012 1.00 0.00 C ATOM 223 OD1 ASN A 15 304.780 2.212 -0.837 1.00 0.00 O ATOM 224 ND2 ASN A 15 306.025 1.258 0.676 1.00 0.00 N ATOM 0 H ASN A 15 307.686 4.676 1.850 1.00 0.00 H new ATOM 0 HA ASN A 15 305.184 5.434 0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 15 306.453 4.181 -0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 15 307.385 3.469 0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 15 305.560 0.364 0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 15 306.770 1.332 1.369 1.00 0.00 H new ATOM 231 N GLU A 16 305.379 2.894 2.528 1.00 0.00 N ATOM 232 CA GLU A 16 304.689 1.874 3.231 1.00 0.00 C ATOM 233 C GLU A 16 303.865 2.515 4.335 1.00 0.00 C ATOM 234 O GLU A 16 302.805 2.048 4.704 1.00 0.00 O ATOM 235 CB GLU A 16 305.770 0.916 3.725 1.00 0.00 C ATOM 236 CG GLU A 16 305.990 1.054 5.236 1.00 0.00 C ATOM 237 CD GLU A 16 307.310 0.384 5.618 1.00 0.00 C ATOM 238 OE1 GLU A 16 307.558 -0.708 5.134 1.00 0.00 O ATOM 239 OE2 GLU A 16 308.052 0.975 6.386 1.00 0.00 O ATOM 0 H GLU A 16 306.397 2.837 2.556 1.00 0.00 H new ATOM 0 HA GLU A 16 303.977 1.313 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 305.485 -0.109 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 16 306.704 1.116 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 16 306.009 2.107 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 16 305.165 0.593 5.779 1.00 0.00 H new ATOM 246 N ASP A 17 304.346 3.613 4.836 1.00 0.00 N ATOM 247 CA ASP A 17 303.605 4.334 5.889 1.00 0.00 C ATOM 248 C ASP A 17 302.213 4.676 5.368 1.00 0.00 C ATOM 249 O ASP A 17 301.294 4.885 6.136 1.00 0.00 O ATOM 250 CB ASP A 17 304.414 5.606 6.147 1.00 0.00 C ATOM 251 CG ASP A 17 304.377 5.942 7.639 1.00 0.00 C ATOM 252 OD1 ASP A 17 304.952 5.189 8.408 1.00 0.00 O ATOM 253 OD2 ASP A 17 303.777 6.946 7.986 1.00 0.00 O ATOM 0 H ASP A 17 305.228 4.042 4.556 1.00 0.00 H new ATOM 0 HA ASP A 17 303.483 3.750 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 17 305.445 5.466 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 17 304.005 6.433 5.567 1.00 0.00 H new ATOM 258 N LEU A 18 302.031 4.740 4.068 1.00 0.00 N ATOM 259 CA LEU A 18 300.652 5.078 3.575 1.00 0.00 C ATOM 260 C LEU A 18 300.417 4.704 2.114 1.00 0.00 C ATOM 261 O LEU A 18 299.493 5.174 1.486 1.00 0.00 O ATOM 262 CB LEU A 18 300.510 6.631 3.772 1.00 0.00 C ATOM 263 CG LEU A 18 299.054 7.078 3.543 1.00 0.00 C ATOM 264 CD1 LEU A 18 298.891 7.543 2.092 1.00 0.00 C ATOM 265 CD2 LEU A 18 298.081 5.924 3.817 1.00 0.00 C ATOM 0 H LEU A 18 302.741 4.581 3.353 1.00 0.00 H new ATOM 0 HA LEU A 18 299.909 4.506 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 18 300.826 6.905 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 18 301.169 7.152 3.078 1.00 0.00 H new ATOM 0 HG LEU A 18 298.828 7.895 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 297.862 7.860 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 18 299.564 8.379 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 18 299.131 6.721 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 297.059 6.262 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 18 298.303 5.094 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 18 298.189 5.595 4.850 1.00 0.00 H new ATOM 277 N VAL A 19 301.169 3.824 1.581 1.00 0.00 N ATOM 278 CA VAL A 19 300.876 3.409 0.182 1.00 0.00 C ATOM 279 C VAL A 19 300.061 2.134 0.190 1.00 0.00 C ATOM 280 O VAL A 19 299.272 1.815 -0.700 1.00 0.00 O ATOM 281 CB VAL A 19 302.218 3.227 -0.506 1.00 0.00 C ATOM 282 CG1 VAL A 19 301.985 2.865 -1.972 1.00 0.00 C ATOM 283 CG2 VAL A 19 302.978 4.543 -0.439 1.00 0.00 C ATOM 0 H VAL A 19 301.965 3.369 2.028 1.00 0.00 H new ATOM 0 HA VAL A 19 300.286 4.153 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 19 302.786 2.435 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 19 302.945 2.733 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 19 301.415 1.938 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 19 301.429 3.665 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 19 303.945 4.430 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 19 302.404 5.321 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 19 303.130 4.823 0.603 1.00 0.00 H new ATOM 293 N LYS A 20 300.297 1.487 1.253 1.00 0.00 N ATOM 294 CA LYS A 20 299.743 0.176 1.674 1.00 0.00 C ATOM 295 C LYS A 20 298.302 0.398 2.054 1.00 0.00 C ATOM 296 O LYS A 20 297.429 -0.343 1.707 1.00 0.00 O ATOM 297 CB LYS A 20 300.707 -0.140 2.881 1.00 0.00 C ATOM 298 CG LYS A 20 302.078 0.510 2.536 1.00 0.00 C ATOM 299 CD LYS A 20 302.596 -0.020 1.197 1.00 0.00 C ATOM 300 CE LYS A 20 302.915 -1.512 1.320 1.00 0.00 C ATOM 301 NZ LYS A 20 304.347 -1.628 0.927 1.00 0.00 N ATOM 0 H LYS A 20 300.941 1.857 1.952 1.00 0.00 H new ATOM 0 HA LYS A 20 299.715 -0.640 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 20 300.309 0.265 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 20 300.812 -1.216 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 20 301.973 1.594 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 20 302.799 0.293 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 20 301.849 0.139 0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 20 303.489 0.529 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 20 302.754 -1.869 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 20 302.276 -2.108 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 304.616 -2.632 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 304.487 -1.194 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 304.940 -1.139 1.628 1.00 0.00 H new ATOM 315 N SER A 21 298.032 1.518 2.581 1.00 0.00 N ATOM 316 CA SER A 21 296.627 1.872 2.739 1.00 0.00 C ATOM 317 C SER A 21 296.221 2.007 1.299 1.00 0.00 C ATOM 318 O SER A 21 295.616 1.123 0.699 1.00 0.00 O ATOM 319 CB SER A 21 296.570 3.198 3.513 1.00 0.00 C ATOM 320 OG SER A 21 297.592 3.209 4.501 1.00 0.00 O ATOM 0 H SER A 21 298.711 2.205 2.910 1.00 0.00 H new ATOM 0 HA SER A 21 295.987 1.180 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 21 296.700 4.037 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 21 295.593 3.317 3.982 1.00 0.00 H new ATOM 0 HG SER A 21 297.247 3.614 5.324 1.00 0.00 H new ATOM 326 N LEU A 22 296.759 3.031 0.740 1.00 0.00 N ATOM 327 CA LEU A 22 296.665 3.362 -0.741 1.00 0.00 C ATOM 328 C LEU A 22 297.221 2.179 -1.592 1.00 0.00 C ATOM 329 O LEU A 22 297.927 2.354 -2.562 1.00 0.00 O ATOM 330 CB LEU A 22 297.550 4.606 -0.894 1.00 0.00 C ATOM 331 CG LEU A 22 297.815 4.892 -2.375 1.00 0.00 C ATOM 332 CD1 LEU A 22 297.600 6.380 -2.659 1.00 0.00 C ATOM 333 CD2 LEU A 22 299.262 4.524 -2.707 1.00 0.00 C ATOM 0 H LEU A 22 297.304 3.715 1.265 1.00 0.00 H new ATOM 0 HA LEU A 22 295.643 3.532 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 22 297.064 5.465 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 22 298.494 4.455 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 22 297.131 4.302 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 22 297.789 6.580 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 22 296.573 6.652 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 298.285 6.969 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 22 299.456 4.726 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 22 299.939 5.118 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 22 299.424 3.465 -2.504 1.00 0.00 H new ATOM 345 N ARG A 23 296.913 0.979 -1.166 1.00 0.00 N ATOM 346 CA ARG A 23 297.387 -0.291 -1.806 1.00 0.00 C ATOM 347 C ARG A 23 296.682 -1.418 -1.218 1.00 0.00 C ATOM 348 O ARG A 23 295.904 -2.088 -1.867 1.00 0.00 O ATOM 349 CB ARG A 23 298.817 -0.399 -1.367 1.00 0.00 C ATOM 350 CG ARG A 23 299.761 0.047 -2.464 1.00 0.00 C ATOM 351 CD ARG A 23 301.189 -0.035 -1.948 1.00 0.00 C ATOM 352 NE ARG A 23 301.255 -1.324 -1.219 1.00 0.00 N ATOM 353 CZ ARG A 23 301.531 -2.428 -1.856 1.00 0.00 C ATOM 354 NH1 ARG A 23 300.563 -3.213 -2.246 1.00 0.00 N ATOM 355 NH2 ARG A 23 302.773 -2.747 -2.103 1.00 0.00 N ATOM 0 H ARG A 23 296.318 0.821 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 23 297.241 -0.291 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 23 298.974 0.211 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 23 299.038 -1.430 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 23 299.641 -0.585 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 23 299.529 1.067 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 23 301.908 -0.007 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 23 301.421 0.803 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 23 301.084 -1.348 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 23 299.593 -2.962 -2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 23 300.776 -4.077 -2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 23 303.528 -2.133 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 23 302.988 -3.611 -2.601 1.00 0.00 H new ATOM 369 N GLU A 24 296.877 -1.628 0.016 1.00 0.00 N ATOM 370 CA GLU A 24 296.129 -2.694 0.605 1.00 0.00 C ATOM 371 C GLU A 24 294.755 -2.181 0.810 1.00 0.00 C ATOM 372 O GLU A 24 294.102 -2.406 1.768 1.00 0.00 O ATOM 373 CB GLU A 24 296.853 -3.128 1.883 1.00 0.00 C ATOM 374 CG GLU A 24 295.881 -3.785 2.883 1.00 0.00 C ATOM 375 CD GLU A 24 296.580 -4.955 3.576 1.00 0.00 C ATOM 376 OE1 GLU A 24 296.916 -5.907 2.889 1.00 0.00 O ATOM 377 OE2 GLU A 24 296.768 -4.881 4.779 1.00 0.00 O ATOM 0 H GLU A 24 297.511 -1.115 0.629 1.00 0.00 H new ATOM 0 HA GLU A 24 296.054 -3.588 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 24 297.649 -3.829 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 24 297.326 -2.262 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 24 295.553 -3.054 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 24 294.989 -4.136 2.363 1.00 0.00 H new ATOM 384 N ASN A 25 294.352 -1.464 -0.147 1.00 0.00 N ATOM 385 CA ASN A 25 293.041 -0.912 -0.196 1.00 0.00 C ATOM 386 C ASN A 25 292.461 -1.252 -1.515 1.00 0.00 C ATOM 387 O ASN A 25 291.382 -0.830 -1.896 1.00 0.00 O ATOM 388 CB ASN A 25 293.349 0.515 -0.056 1.00 0.00 C ATOM 389 CG ASN A 25 294.043 1.043 -1.298 1.00 0.00 C ATOM 390 OD1 ASN A 25 294.887 1.839 -1.192 1.00 0.00 O ATOM 391 ND2 ASN A 25 293.600 0.783 -2.487 1.00 0.00 N ATOM 0 H ASN A 25 294.930 -1.227 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 25 292.321 -1.258 0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 25 292.430 1.074 0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 25 293.986 0.670 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 25 293.990 1.270 -3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 25 292.861 0.091 -2.616 1.00 0.00 H new ATOM 398 N LEU A 26 293.192 -1.985 -2.254 1.00 0.00 N ATOM 399 CA LEU A 26 292.671 -2.338 -3.571 1.00 0.00 C ATOM 400 C LEU A 26 291.317 -2.948 -3.297 1.00 0.00 C ATOM 401 O LEU A 26 290.329 -2.681 -3.954 1.00 0.00 O ATOM 402 CB LEU A 26 293.659 -3.325 -4.204 1.00 0.00 C ATOM 403 CG LEU A 26 294.904 -2.604 -4.775 1.00 0.00 C ATOM 404 CD1 LEU A 26 294.883 -1.096 -4.471 1.00 0.00 C ATOM 405 CD2 LEU A 26 296.157 -3.222 -4.154 1.00 0.00 C ATOM 0 H LEU A 26 294.113 -2.353 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 26 292.563 -1.504 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 26 293.972 -4.055 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 26 293.161 -3.877 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 26 294.902 -2.727 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 26 295.774 -0.628 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 26 293.995 -0.647 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 26 294.865 -0.943 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 297.042 -2.723 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 296.124 -3.101 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 26 296.199 -4.283 -4.400 1.00 0.00 H new ATOM 417 N LEU A 27 291.270 -3.679 -2.233 1.00 0.00 N ATOM 418 CA LEU A 27 289.980 -4.232 -1.770 1.00 0.00 C ATOM 419 C LEU A 27 290.019 -4.337 -0.254 1.00 0.00 C ATOM 420 O LEU A 27 289.170 -4.934 0.376 1.00 0.00 O ATOM 421 CB LEU A 27 289.824 -5.599 -2.429 1.00 0.00 C ATOM 422 CG LEU A 27 291.115 -6.392 -2.229 1.00 0.00 C ATOM 423 CD1 LEU A 27 290.780 -7.825 -1.815 1.00 0.00 C ATOM 424 CD2 LEU A 27 291.908 -6.411 -3.536 1.00 0.00 C ATOM 0 H LEU A 27 292.077 -3.920 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 27 289.132 -3.602 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 27 288.981 -6.134 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 27 289.613 -5.484 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 27 291.711 -5.921 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 291.703 -8.388 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 27 290.216 -7.812 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 27 290.182 -8.298 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 292.829 -6.976 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 27 291.310 -6.881 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 292.151 -5.390 -3.829 1.00 0.00 H new ATOM 436 N GLN A 28 290.953 -3.662 0.326 1.00 0.00 N ATOM 437 CA GLN A 28 291.030 -3.581 1.781 1.00 0.00 C ATOM 438 C GLN A 28 290.653 -2.153 2.138 1.00 0.00 C ATOM 439 O GLN A 28 290.339 -1.806 3.262 1.00 0.00 O ATOM 440 CB GLN A 28 292.415 -4.056 2.222 1.00 0.00 C ATOM 441 CG GLN A 28 293.200 -4.642 1.018 1.00 0.00 C ATOM 442 CD GLN A 28 292.786 -6.100 0.781 1.00 0.00 C ATOM 443 OE1 GLN A 28 291.678 -6.555 1.301 1.00 0.00 O flip ATOM 444 NE2 GLN A 28 293.482 -6.834 0.108 1.00 0.00 N flip ATOM 0 H GLN A 28 291.684 -3.151 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 28 290.342 -4.233 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 28 292.970 -3.224 2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 28 292.315 -4.812 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 28 293.005 -4.050 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 28 294.271 -4.586 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 28 294.348 -6.483 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 28 293.200 -7.802 -0.049 1.00 0.00 H new ATOM 453 N HIS A 29 290.438 -1.377 1.121 1.00 0.00 N ATOM 454 CA HIS A 29 289.855 -0.064 1.334 1.00 0.00 C ATOM 455 C HIS A 29 288.370 -0.307 1.469 1.00 0.00 C ATOM 456 O HIS A 29 287.545 0.567 1.707 1.00 0.00 O ATOM 457 CB HIS A 29 290.274 0.676 0.079 1.00 0.00 C ATOM 458 CG HIS A 29 289.314 0.612 -1.065 1.00 0.00 C ATOM 459 ND1 HIS A 29 288.761 -0.430 -1.752 1.00 0.00 N flip ATOM 460 CD2 HIS A 29 289.060 1.743 -1.815 1.00 0.00 C flip ATOM 461 CE1 HIS A 29 288.180 0.043 -2.924 1.00 0.00 C flip ATOM 462 NE2 HIS A 29 288.402 1.359 -2.914 1.00 0.00 N flip ATOM 0 H HIS A 29 290.648 -1.611 0.151 1.00 0.00 H new ATOM 0 HA HIS A 29 290.157 0.508 2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 29 290.436 1.723 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 29 291.232 0.277 -0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 29 289.342 2.754 -1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 29 287.662 -0.530 -3.678 1.00 0.00 H new ATOM 0 HE2 HIS A 29 288.106 1.995 -3.655 1.00 0.00 H new ATOM 470 N GLU A 30 288.078 -1.560 1.460 1.00 0.00 N ATOM 471 CA GLU A 30 286.785 -2.051 1.670 1.00 0.00 C ATOM 472 C GLU A 30 286.845 -2.329 3.132 1.00 0.00 C ATOM 473 O GLU A 30 285.876 -2.137 3.825 1.00 0.00 O ATOM 474 CB GLU A 30 286.728 -3.333 0.809 1.00 0.00 C ATOM 475 CG GLU A 30 287.539 -3.140 -0.505 1.00 0.00 C ATOM 476 CD GLU A 30 286.695 -2.340 -1.503 1.00 0.00 C ATOM 477 OE1 GLU A 30 286.193 -1.297 -1.121 1.00 0.00 O ATOM 478 OE2 GLU A 30 286.563 -2.786 -2.631 1.00 0.00 O ATOM 0 H GLU A 30 288.771 -2.291 1.298 1.00 0.00 H new ATOM 0 HA GLU A 30 285.924 -1.433 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 30 287.131 -4.175 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 30 285.692 -3.574 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 30 288.472 -2.616 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 30 287.804 -4.109 -0.929 1.00 0.00 H new ATOM 485 N LYS A 31 288.054 -2.741 3.626 1.00 0.00 N ATOM 486 CA LYS A 31 288.243 -3.017 5.091 1.00 0.00 C ATOM 487 C LYS A 31 287.372 -2.080 5.798 1.00 0.00 C ATOM 488 O LYS A 31 286.675 -2.377 6.733 1.00 0.00 O ATOM 489 CB LYS A 31 289.700 -2.772 5.506 1.00 0.00 C ATOM 490 CG LYS A 31 290.585 -3.921 5.025 1.00 0.00 C ATOM 491 CD LYS A 31 292.003 -3.746 5.576 1.00 0.00 C ATOM 492 CE LYS A 31 292.288 -4.843 6.605 1.00 0.00 C ATOM 493 NZ LYS A 31 292.846 -4.128 7.788 1.00 0.00 N ATOM 0 H LYS A 31 288.887 -2.886 3.055 1.00 0.00 H new ATOM 0 HA LYS A 31 288.003 -4.054 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 31 290.053 -1.831 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 31 289.767 -2.681 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 31 290.171 -4.874 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 31 290.608 -3.944 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 31 292.729 -3.796 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 31 292.107 -2.764 6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 31 291.379 -5.386 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 31 292.996 -5.575 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 293.066 -4.815 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 293.714 -3.626 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 292.147 -3.443 8.141 1.00 0.00 H new ATOM 507 N SER A 32 287.375 -0.958 5.244 1.00 0.00 N ATOM 508 CA SER A 32 286.487 0.091 5.722 1.00 0.00 C ATOM 509 C SER A 32 285.097 -0.232 5.296 1.00 0.00 C ATOM 510 O SER A 32 284.322 -0.819 6.011 1.00 0.00 O ATOM 511 CB SER A 32 286.999 1.400 5.121 1.00 0.00 C ATOM 512 OG SER A 32 287.970 1.967 5.992 1.00 0.00 O ATOM 0 H SER A 32 287.967 -0.700 4.455 1.00 0.00 H new ATOM 0 HA SER A 32 286.474 0.179 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 32 287.436 1.217 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 32 286.172 2.096 4.977 1.00 0.00 H new ATOM 0 HG SER A 32 288.302 2.806 5.610 1.00 0.00 H new ATOM 518 N LYS A 33 284.786 0.087 4.148 1.00 0.00 N ATOM 519 CA LYS A 33 283.405 -0.254 3.682 1.00 0.00 C ATOM 520 C LYS A 33 283.282 -1.773 3.524 1.00 0.00 C ATOM 521 O LYS A 33 282.861 -2.263 2.495 1.00 0.00 O ATOM 522 CB LYS A 33 283.202 0.446 2.344 1.00 0.00 C ATOM 523 CG LYS A 33 283.576 1.933 2.468 1.00 0.00 C ATOM 524 CD LYS A 33 284.996 2.196 1.939 1.00 0.00 C ATOM 525 CE LYS A 33 285.296 1.288 0.742 1.00 0.00 C ATOM 526 NZ LYS A 33 286.348 2.003 -0.031 1.00 0.00 N ATOM 0 H LYS A 33 285.385 0.567 3.476 1.00 0.00 H new ATOM 0 HA LYS A 33 282.649 0.070 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 33 283.815 -0.029 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 33 282.164 0.349 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 33 282.860 2.538 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 33 283.511 2.241 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 33 285.094 3.241 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 33 285.725 2.018 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 33 285.644 0.308 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 33 284.404 1.125 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 286.334 1.678 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 286.166 3.027 -0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 287.280 1.804 0.385 1.00 0.00 H new ATOM 540 N THR A 34 283.677 -2.530 4.524 1.00 0.00 N ATOM 541 CA THR A 34 283.607 -4.014 4.391 1.00 0.00 C ATOM 542 C THR A 34 284.075 -4.730 5.666 1.00 0.00 C ATOM 543 O THR A 34 283.743 -5.869 5.924 1.00 0.00 O ATOM 544 CB THR A 34 284.655 -4.325 3.305 1.00 0.00 C ATOM 545 OG1 THR A 34 284.264 -5.468 2.560 1.00 0.00 O ATOM 546 CG2 THR A 34 285.988 -4.594 4.003 1.00 0.00 C ATOM 0 H THR A 34 284.039 -2.186 5.413 1.00 0.00 H new ATOM 0 HA THR A 34 282.588 -4.337 4.179 1.00 0.00 H new ATOM 0 HB THR A 34 284.745 -3.484 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 34 284.936 -5.656 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 34 286.751 -4.818 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 34 286.285 -3.713 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 34 285.880 -5.443 4.678 1.00 0.00 H new ATOM 554 N ALA A 35 284.977 -4.100 6.361 1.00 0.00 N ATOM 555 CA ALA A 35 285.642 -4.759 7.516 1.00 0.00 C ATOM 556 C ALA A 35 285.754 -3.781 8.653 1.00 0.00 C ATOM 557 O ALA A 35 286.686 -3.803 9.429 1.00 0.00 O ATOM 558 CB ALA A 35 287.045 -5.059 6.948 1.00 0.00 C ATOM 0 H ALA A 35 285.285 -3.146 6.176 1.00 0.00 H new ATOM 0 HA ALA A 35 285.118 -5.636 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 35 287.648 -5.553 7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 35 286.954 -5.710 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 35 287.525 -4.126 6.654 1.00 0.00 H new ATOM 564 N ARG A 36 284.846 -2.878 8.708 1.00 0.00 N ATOM 565 CA ARG A 36 284.925 -1.836 9.737 1.00 0.00 C ATOM 566 C ARG A 36 283.525 -1.484 10.258 1.00 0.00 C ATOM 567 O ARG A 36 283.363 -0.652 11.128 1.00 0.00 O ATOM 568 CB ARG A 36 285.568 -0.710 8.932 1.00 0.00 C ATOM 569 CG ARG A 36 284.492 0.116 8.242 1.00 0.00 C ATOM 570 CD ARG A 36 283.955 1.197 9.177 1.00 0.00 C ATOM 571 NE ARG A 36 283.563 2.314 8.271 1.00 0.00 N ATOM 572 CZ ARG A 36 282.411 2.908 8.431 1.00 0.00 C ATOM 573 NH1 ARG A 36 282.366 4.144 8.845 1.00 0.00 N ATOM 574 NH2 ARG A 36 281.305 2.267 8.171 1.00 0.00 N ATOM 0 H ARG A 36 284.045 -2.814 8.080 1.00 0.00 H new ATOM 0 HA ARG A 36 285.478 -2.096 10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 36 286.161 -0.074 9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 36 286.251 -1.126 8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 36 284.902 0.577 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 36 283.677 -0.534 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 36 283.103 0.836 9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 36 284.713 1.514 9.893 1.00 0.00 H new ATOM 0 HE ARG A 36 284.193 2.614 7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 36 283.231 4.647 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 36 281.466 4.608 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 36 281.340 1.302 7.843 1.00 0.00 H new ATOM 0 HH22 ARG A 36 280.405 2.731 8.296 1.00 0.00 H new ATOM 588 N LYS A 37 282.516 -2.126 9.734 1.00 0.00 N ATOM 589 CA LYS A 37 281.132 -1.854 10.178 1.00 0.00 C ATOM 590 C LYS A 37 280.644 -2.980 11.062 1.00 0.00 C ATOM 591 O LYS A 37 280.889 -3.032 12.251 1.00 0.00 O ATOM 592 CB LYS A 37 280.345 -1.737 8.866 1.00 0.00 C ATOM 593 CG LYS A 37 278.853 -1.577 9.160 1.00 0.00 C ATOM 594 CD LYS A 37 278.085 -1.506 7.837 1.00 0.00 C ATOM 595 CE LYS A 37 276.624 -1.140 8.108 1.00 0.00 C ATOM 596 NZ LYS A 37 275.931 -1.324 6.803 1.00 0.00 N ATOM 0 H LYS A 37 282.600 -2.836 9.007 1.00 0.00 H new ATOM 0 HA LYS A 37 281.026 -0.953 10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 37 280.704 -0.882 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 37 280.510 -2.624 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 37 278.496 -2.416 9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 37 278.680 -0.673 9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 37 278.540 -0.764 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 37 278.140 -2.465 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 37 276.193 -1.781 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 37 276.534 -0.113 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 274.923 -1.092 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 276.358 -0.697 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 276.028 -2.313 6.495 1.00 0.00 H new ATOM 610 N SER A 38 279.963 -3.860 10.473 1.00 0.00 N ATOM 611 CA SER A 38 279.411 -5.035 11.206 1.00 0.00 C ATOM 612 C SER A 38 280.484 -5.643 12.115 1.00 0.00 C ATOM 613 O SER A 38 280.156 -5.978 13.241 1.00 0.00 O ATOM 614 CB SER A 38 279.010 -6.025 10.114 1.00 0.00 C ATOM 615 OG SER A 38 278.595 -7.244 10.714 1.00 0.00 O ATOM 616 OXT SER A 38 281.613 -5.763 11.669 1.00 0.00 O ATOM 0 H SER A 38 279.741 -3.840 9.478 1.00 0.00 H new ATOM 0 HA SER A 38 278.569 -4.768 11.845 1.00 0.00 H new ATOM 0 HB2 SER A 38 278.203 -5.610 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 38 279.850 -6.204 9.443 1.00 0.00 H new ATOM 0 HG SER A 38 278.336 -7.881 10.016 1.00 0.00 H new TER 622 SER A 38 END