USER MOD reduce.3.24.130724 H: found=0, std=0, add=86, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 86 hydrogens (0 hets) HEADER SIGNALING PROTEIN 29-MAY-02 1LVQ TITLE IC3 OF CB1 BOUND TO G(ALPHA)I COMPND MOL_ID: 1; COMPND 2 MOLECULE: CANNABINOID RECEPTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: IC3 OF CB1 (RESIDUES 338-346); COMPND 5 SYNONYM: CB1, CB-R, CANN6; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING SOLID PHASE SOURCE 4 SYNTHESIS. THE SEQUENCE OF THE PROTEIN IS NATURALLY FOUND IN HOMO SOURCE 5 SAPIENS. KEYWDS TRANSFERRED NOES, ALPHA DOMAIN OF G PROTEIN I, CANNABINOID 1 RECEPTOR KEYWDS 2 (CB1), HELIX WHILE BOUND, SIGNALING PROTEIN EXPDTA SOLUTION NMR AUTHOR A.L.ULFERS,J.L.MCMURRY,A.MILLER,L.WANG,D.A.KENDALL,D.F.MIERKE REVDAT 3 25-JUL-12 1LVQ 1 REMARK VERSN REVDAT 2 24-FEB-09 1LVQ 1 VERSN REVDAT 1 11-DEC-02 1LVQ 0 JRNL AUTH A.L.ULFERS,J.L.MCMURRY,A.MILLER,L.WANG,D.A.KENDALL, JRNL AUTH 2 D.F.MIERKE JRNL TITL CANNABINOID RECEPTOR-G PROTEIN INTERACTIONS: JRNL TITL 2 G(ALPHAI1)-BOUND STRUCTURES OF IC3 AND A MUTANT WITH ALTERED JRNL TITL 3 G PROTEIN SPECIFICITY. JRNL REF PROTEIN SCI. V. 11 2526 2002 JRNL REFN ISSN 0961-8368 JRNL PMID 12237474 JRNL DOI 10.1110/PS.0218402 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DGII HOMEWRITTEN REMARK 3 AUTHORS : HAVEL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LVQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAY-02. REMARK 100 THE RCSB ID CODE IS RCSB016321. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 10 MM ACETATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : LAKT PEPTIDE AT 4.0 MM, G(ALPHA) REMARK 210 I AT 200 UM. REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX MSI 95, IRMA 2 REMARK 210 METHOD USED : METRIC MATRIX DISTANCE GEOMETRY REMARK 210 CALCULATIONS FOR GENERATION OF REMARK 210 INITIAL ENSEMBLE. LOW PENALTY REMARK 210 STRUCTURES USED FOR ENSEMBLE- REMARK 210 BASED IRMA REFINEMENT. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY SPECTRUM 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 ILE A 2 CB - CA - C ANGL. DEV. = -16.7 DEGREES REMARK 500 ILE A 2 N - CA - CB ANGL. DEV. = 28.6 DEGREES REMARK 500 ARG A 3 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 LEU A 4 N - CA - CB ANGL. DEV. = -12.6 DEGREES REMARK 500 LEU A 8 CB - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 6 -32.45 -37.30 REMARK 500 LEU A 8 -7.94 -59.70 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ILE A 2 ARG A 3 -135.37 REMARK 500 ALA A 5 LYS A 6 146.09 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ILE A 2 11.64 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 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE 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 ILE A 2 20.0 L L OUTSIDE RANGE REMARK 500 ARG A 3 20.9 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LVR RELATED DB: PDB REMARK 900 IC3 OF CB1 (L431A,A432L) BOUND TO G(ALPHA)I DBREF 1LVQ A 1 9 UNP P21554 CNR1_HUMAN 338 346 SEQRES 1 A 9 ASP ILE ARG LEU ALA LYS THR LEU VAL 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 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 27.250 5.590 17.294 1.00 0.00 N ATOM 2 CA ASP A 1 25.946 5.711 17.961 1.00 0.00 C ATOM 3 C ASP A 1 25.659 4.528 18.951 1.00 0.00 C ATOM 4 O ASP A 1 24.555 4.010 18.778 1.00 0.00 O ATOM 5 CB ASP A 1 24.843 5.854 16.836 1.00 0.00 C ATOM 6 CG ASP A 1 23.600 6.685 17.212 1.00 0.00 C ATOM 7 OD1 ASP A 1 23.723 7.921 17.354 1.00 0.00 O ATOM 8 OD2 ASP A 1 22.492 6.114 17.338 1.00 0.00 O ATOM 0 H1 ASP A 1 27.388 6.397 16.652 1.00 0.00 H new ATOM 0 H2 ASP A 1 28.006 5.583 18.008 1.00 0.00 H new ATOM 0 H3 ASP A 1 27.280 4.705 16.749 1.00 0.00 H new ATOM 0 HA ASP A 1 25.938 6.597 18.596 1.00 0.00 H new ATOM 0 HB2 ASP A 1 25.305 6.304 15.957 1.00 0.00 H new ATOM 0 HB3 ASP A 1 24.515 4.855 16.547 1.00 0.00 H new ATOM 15 N ILE A 2 26.413 4.103 20.051 1.00 0.00 N ATOM 16 CA ILE A 2 25.645 3.402 21.183 1.00 0.00 C ATOM 17 C ILE A 2 24.682 4.422 21.788 1.00 0.00 C ATOM 18 O ILE A 2 23.609 4.044 22.170 1.00 0.00 O ATOM 19 CB ILE A 2 25.943 2.634 22.596 1.00 0.00 C ATOM 20 CG1 ILE A 2 27.400 2.413 23.040 1.00 0.00 C ATOM 21 CG2 ILE A 2 24.932 1.457 22.825 1.00 0.00 C ATOM 22 CD1 ILE A 2 28.368 1.723 22.083 1.00 0.00 C ATOM 0 H ILE A 2 27.419 4.212 20.176 1.00 0.00 H new ATOM 0 HA ILE A 2 25.578 2.553 20.503 1.00 0.00 H new ATOM 0 HB ILE A 2 25.731 3.386 23.356 1.00 0.00 H new ATOM 0 HG12 ILE A 2 27.820 3.388 23.287 1.00 0.00 H new ATOM 0 HG13 ILE A 2 27.379 1.832 23.962 1.00 0.00 H new ATOM 0 HG21 ILE A 2 25.155 0.965 23.772 1.00 0.00 H new ATOM 0 HG22 ILE A 2 23.916 1.850 22.850 1.00 0.00 H new ATOM 0 HG23 ILE A 2 25.022 0.737 22.012 1.00 0.00 H new ATOM 0 HD11 ILE A 2 29.350 1.647 22.550 1.00 0.00 H new ATOM 0 HD12 ILE A 2 27.999 0.724 21.850 1.00 0.00 H new ATOM 0 HD13 ILE A 2 28.448 2.304 21.164 1.00 0.00 H new ATOM 34 N ARG A 3 25.116 5.556 22.264 1.00 0.00 N ATOM 35 CA ARG A 3 24.610 6.058 23.577 1.00 0.00 C ATOM 36 C ARG A 3 23.231 6.651 23.736 1.00 0.00 C ATOM 37 O ARG A 3 22.449 6.276 24.608 1.00 0.00 O ATOM 38 CB ARG A 3 25.589 6.881 24.411 1.00 0.00 C ATOM 39 CG ARG A 3 26.953 7.322 23.928 1.00 0.00 C ATOM 40 CD ARG A 3 27.028 8.522 22.965 1.00 0.00 C ATOM 41 NE ARG A 3 26.345 9.769 23.413 1.00 0.00 N ATOM 42 CZ ARG A 3 26.655 10.480 24.520 1.00 0.00 C ATOM 43 NH1 ARG A 3 27.634 10.162 25.365 1.00 0.00 N ATOM 44 NH2 ARG A 3 25.935 11.552 24.790 1.00 0.00 N ATOM 0 H ARG A 3 25.798 6.158 21.803 1.00 0.00 H new ATOM 0 HA ARG A 3 24.497 5.045 23.963 1.00 0.00 H new ATOM 0 HB2 ARG A 3 25.058 7.790 24.693 1.00 0.00 H new ATOM 0 HB3 ARG A 3 25.759 6.314 25.326 1.00 0.00 H new ATOM 0 HG2 ARG A 3 27.556 7.559 24.804 1.00 0.00 H new ATOM 0 HG3 ARG A 3 27.424 6.471 23.437 1.00 0.00 H new ATOM 0 HD2 ARG A 3 28.078 8.752 22.786 1.00 0.00 H new ATOM 0 HD3 ARG A 3 26.600 8.221 22.009 1.00 0.00 H new ATOM 0 HE ARG A 3 25.579 10.115 22.835 1.00 0.00 H new ATOM 0 HH11 ARG A 3 28.206 9.335 25.195 1.00 0.00 H new ATOM 0 HH12 ARG A 3 27.812 10.746 26.182 1.00 0.00 H new ATOM 0 HH21 ARG A 3 25.171 11.822 24.171 1.00 0.00 H new ATOM 0 HH22 ARG A 3 26.143 12.111 25.618 1.00 0.00 H new ATOM 58 N LEU A 4 22.956 7.575 22.856 1.00 0.00 N ATOM 59 CA LEU A 4 21.590 7.894 22.473 1.00 0.00 C ATOM 60 C LEU A 4 20.873 6.650 21.757 1.00 0.00 C ATOM 61 O LEU A 4 19.638 6.620 21.786 1.00 0.00 O ATOM 62 CB LEU A 4 21.906 9.265 21.644 1.00 0.00 C ATOM 63 CG LEU A 4 20.697 10.178 21.347 1.00 0.00 C ATOM 64 CD1 LEU A 4 19.945 9.448 20.196 1.00 0.00 C ATOM 65 CD2 LEU A 4 19.814 10.451 22.584 1.00 0.00 C ATOM 0 H LEU A 4 23.665 8.132 22.380 1.00 0.00 H new ATOM 0 HA LEU A 4 20.831 8.066 23.237 1.00 0.00 H new ATOM 0 HB2 LEU A 4 22.641 9.842 22.205 1.00 0.00 H new ATOM 0 HB3 LEU A 4 22.370 8.993 20.696 1.00 0.00 H new ATOM 0 HG LEU A 4 21.006 11.183 21.058 1.00 0.00 H new ATOM 0 HD11 LEU A 4 19.064 10.025 19.914 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.606 9.350 19.335 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.638 8.458 20.533 1.00 0.00 H new ATOM 0 HD21 LEU A 4 18.984 11.099 22.303 1.00 0.00 H new ATOM 0 HD22 LEU A 4 19.424 9.508 22.968 1.00 0.00 H new ATOM 0 HD23 LEU A 4 20.410 10.939 23.356 1.00 0.00 H new ATOM 77 N ALA A 5 21.541 5.607 21.182 1.00 0.00 N ATOM 78 CA ALA A 5 20.832 4.373 20.696 1.00 0.00 C ATOM 79 C ALA A 5 20.433 3.429 21.876 1.00 0.00 C ATOM 80 O ALA A 5 19.331 2.932 21.839 1.00 0.00 O ATOM 81 CB ALA A 5 21.836 3.579 19.804 1.00 0.00 C ATOM 0 H ALA A 5 22.551 5.590 21.043 1.00 0.00 H new ATOM 0 HA ALA A 5 19.931 4.680 20.165 1.00 0.00 H new ATOM 0 HB1 ALA A 5 21.355 2.674 19.432 1.00 0.00 H new ATOM 0 HB2 ALA A 5 22.143 4.199 18.962 1.00 0.00 H new ATOM 0 HB3 ALA A 5 22.712 3.308 20.394 1.00 0.00 H new ATOM 87 N LYS A 6 21.334 3.135 22.838 1.00 0.00 N ATOM 88 CA LYS A 6 21.099 2.891 24.306 1.00 0.00 C ATOM 89 C LYS A 6 20.036 3.720 25.052 1.00 0.00 C ATOM 90 O LYS A 6 19.407 3.195 25.981 1.00 0.00 O ATOM 91 CB LYS A 6 22.364 3.107 25.236 1.00 0.00 C ATOM 92 CG LYS A 6 22.441 2.180 26.483 1.00 0.00 C ATOM 93 CD LYS A 6 23.470 2.636 27.542 1.00 0.00 C ATOM 94 CE LYS A 6 24.906 2.858 27.027 1.00 0.00 C ATOM 95 NZ LYS A 6 25.782 3.351 28.105 1.00 0.00 N ATOM 0 H LYS A 6 22.324 3.052 22.607 1.00 0.00 H new ATOM 0 HA LYS A 6 20.773 1.858 24.187 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.263 2.959 24.638 1.00 0.00 H new ATOM 0 HB3 LYS A 6 22.373 4.143 25.574 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.456 2.129 26.947 1.00 0.00 H new ATOM 0 HG3 LYS A 6 22.693 1.171 26.158 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.116 3.565 27.989 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.500 1.891 28.337 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.302 1.924 26.630 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.895 3.574 26.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.743 3.493 27.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.414 4.254 28.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.808 2.654 28.877 1.00 0.00 H new ATOM 109 N THR A 7 19.831 4.985 24.654 1.00 0.00 N ATOM 110 CA THR A 7 18.562 5.713 25.143 1.00 0.00 C ATOM 111 C THR A 7 17.341 4.956 24.503 1.00 0.00 C ATOM 112 O THR A 7 16.521 4.454 25.276 1.00 0.00 O ATOM 113 CB THR A 7 18.581 7.254 24.873 1.00 0.00 C ATOM 114 OG1 THR A 7 19.483 7.878 25.784 1.00 0.00 O ATOM 115 CG2 THR A 7 17.198 7.939 25.033 1.00 0.00 C ATOM 0 H THR A 7 20.448 5.523 24.045 1.00 0.00 H new ATOM 0 HA THR A 7 18.491 5.675 26.230 1.00 0.00 H new ATOM 0 HB THR A 7 18.889 7.374 23.834 1.00 0.00 H new ATOM 0 HG1 THR A 7 19.500 8.844 25.618 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.294 9.005 24.829 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.490 7.498 24.331 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.836 7.795 26.051 1.00 0.00 H new ATOM 123 N LEU A 8 17.269 4.750 23.163 1.00 0.00 N ATOM 124 CA LEU A 8 16.420 3.661 22.594 1.00 0.00 C ATOM 125 C LEU A 8 16.767 2.182 23.056 1.00 0.00 C ATOM 126 O LEU A 8 15.929 1.334 22.723 1.00 0.00 O ATOM 127 CB LEU A 8 16.290 4.106 21.063 1.00 0.00 C ATOM 128 CG LEU A 8 16.922 3.364 19.846 1.00 0.00 C ATOM 129 CD1 LEU A 8 16.815 1.842 19.866 1.00 0.00 C ATOM 130 CD2 LEU A 8 16.345 3.906 18.522 1.00 0.00 C ATOM 0 H LEU A 8 17.772 5.304 22.470 1.00 0.00 H new ATOM 0 HA LEU A 8 15.414 3.553 23.000 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.221 4.154 20.858 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.670 5.127 21.018 1.00 0.00 H new ATOM 0 HG LEU A 8 17.988 3.578 19.927 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.287 1.432 18.973 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.317 1.454 20.752 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.765 1.551 19.887 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.798 3.376 17.684 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.266 3.755 18.506 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.563 4.971 18.439 1.00 0.00 H new ATOM 142 N VAL A 9 17.867 1.798 23.806 1.00 0.00 N ATOM 143 CA VAL A 9 18.110 0.290 24.140 1.00 0.00 C ATOM 144 C VAL A 9 18.396 -0.489 22.817 1.00 0.00 C ATOM 145 O VAL A 9 19.463 -0.248 22.205 1.00 0.00 O ATOM 146 CB VAL A 9 16.945 -0.478 25.040 1.00 0.00 C ATOM 147 CG1 VAL A 9 17.718 -1.278 26.105 1.00 0.00 C ATOM 148 CG2 VAL A 9 16.049 0.513 25.829 1.00 0.00 C ATOM 149 OXT VAL A 9 17.506 -1.206 22.306 1.00 0.00 O ATOM 0 H VAL A 9 18.567 2.440 24.178 1.00 0.00 H new ATOM 0 HA VAL A 9 18.974 0.286 24.805 1.00 0.00 H new ATOM 0 HB VAL A 9 16.312 -1.066 24.375 1.00 0.00 H new ATOM 0 HG11 VAL A 9 17.013 -1.814 26.740 1.00 0.00 H new ATOM 0 HG12 VAL A 9 18.380 -1.992 25.615 1.00 0.00 H new ATOM 0 HG13 VAL A 9 18.309 -0.595 26.715 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.305 -0.044 26.399 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.666 1.098 26.511 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.545 1.182 25.132 1.00 0.00 H new TER 159 VAL A 9 END