HEADER HORMONE/GROWTH FACTOR 25-JAN-01 1HZN TITLE NMR SOLUTION STRUCTURE OF THE THIRD EXTRACELLULAR LOOP OF TITLE 2 THE CHOLECYSTOKININ A RECEPTOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHOLECYSTOKININ TYPE A RECEPTOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 329-357; COMPND 5 SYNONYM: CCK-A RECEPTOR; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED USING SOLID- SOURCE 4 PHASE SYNTHESIS KEYWDS HORMONE/GROWTH FACTOR EXPDTA SOLUTION NMR AUTHOR C.GIRAGOSSIAN,D.F.MIERKE REVDAT 2 24-FEB-09 1HZN 1 VERSN REVDAT 1 25-APR-01 1HZN 0 JRNL AUTH C.GIRAGOSSIAN,D.F.MIERKE JRNL TITL INTERMOLECULAR INTERACTIONS BETWEEN JRNL TITL 2 CHOLECYSTOKININ-8 AND THE THIRD EXTRACELLULAR LOOP JRNL TITL 3 OF THE CHOLECYSTOKININ A RECEPTOR. JRNL REF BIOCHEMISTRY V. 40 3804 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11300760 JRNL DOI 10.1021/BI002659N REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : HOMEWRITTEN METRIC MATRIX DISTANCE GEOMETRY, REMARK 3 MOLECULAR DYNAMICS WITH GROMACS REMARK 3 AUTHORS : MIERKE, D.F. (HOMEWRITTEN METRIC MATRIX REMARK 3 DISTANCE GEOMETRY), BERENDSEN, H.J.C. (MOLECULAR REMARK 3 DYNAMICS WITH GROMACS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HZN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-FEB-01. REMARK 100 THE RCSB ID CODE IS RCSB012722. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : PEPTIDES, DPC REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY,ROESY,COSY,TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : HOMEWRITTEN DG, GROMACS-MD REMARK 210 METHOD USED : METRIC MATRIX DG CALCULATIONS REMARK 210 FOLLOWED BY NOE-RESTRAINED MD REMARK 210 SIMULATIONS IN A WATER/DECANE REMARK 210 SIMULATION CELL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS 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: 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 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ARG A 18 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 19 NE - CZ - NH1 ANGL. DEV. = 3.6 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 ALA A 7 -85.35 -116.03 REMARK 500 ARG A 18 77.26 73.59 REMARK 500 LEU A 20 -41.29 81.25 REMARK 500 SER A 21 -48.51 77.65 REMARK 500 LEU A 29 51.51 -112.45 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 PHE A 3 0.08 SIDE_CHAIN REMARK 500 ARG A 19 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACE A 1 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 31 DBREF 1HZN A 2 30 UNP P32238 CCKAR_HUMAN 329 357 SEQRES 1 A 31 ACE ILE PHE SER ALA ASN ALA TRP ARG ALA TYR ASP THR SEQRES 2 A 31 ALA SER ALA GLU ARG ARG LEU SER GLY THR PRO ILE SER SEQRES 3 A 31 PHE ILE LEU LEU NH2 HET ACE A 1 6 HET NH2 A 31 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 NH2 H2 N HELIX 1 1 ALA A 7 THR A 13 1 7 HELIX 2 2 PRO A 24 LEU A 29 1 6 LINK C ACE A 1 N ILE A 2 1555 1555 1.35 LINK C LEU A 30 N NH2 A 31 1555 1555 1.32 SITE 1 AC1 1 ALA A 5 SITE 1 AC2 1 LEU A 30 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 HETATM 1 C ACE A 1 30.248 39.077 31.975 1.00 0.00 C HETATM 2 O ACE A 1 31.104 38.283 31.601 1.00 0.00 O HETATM 3 CH3 ACE A 1 30.580 40.568 31.968 1.00 0.00 C HETATM 4 H1 ACE A 1 31.675 40.727 31.961 1.00 0.00 H HETATM 5 H2 ACE A 1 30.186 41.055 31.058 1.00 0.00 H HETATM 6 H3 ACE A 1 30.175 41.100 32.848 1.00 0.00 H ATOM 7 N ILE A 2 29.015 38.706 32.363 1.00 0.00 N ATOM 8 CA ILE A 2 28.525 37.283 32.351 1.00 0.00 C ATOM 9 C ILE A 2 28.488 36.698 30.895 1.00 0.00 C ATOM 10 O ILE A 2 29.196 35.739 30.594 1.00 0.00 O ATOM 11 CB ILE A 2 27.151 37.125 33.117 1.00 0.00 C ATOM 12 CG1 ILE A 2 27.172 37.536 34.624 1.00 0.00 C ATOM 13 CG2 ILE A 2 26.582 35.681 33.016 1.00 0.00 C ATOM 14 CD1 ILE A 2 26.960 39.033 34.905 1.00 0.00 C ATOM 15 H ILE A 2 28.461 39.462 32.781 1.00 0.00 H ATOM 16 HA ILE A 2 29.268 36.681 32.913 1.00 0.00 H ATOM 17 HB ILE A 2 26.406 37.767 32.608 1.00 0.00 H ATOM 18 HG12 ILE A 2 26.367 37.017 35.177 1.00 0.00 H ATOM 19 HG13 ILE A 2 28.107 37.191 35.104 1.00 0.00 H ATOM 20 HG21 ILE A 2 25.661 35.542 33.611 1.00 0.00 H ATOM 21 HG22 ILE A 2 26.302 35.430 31.975 1.00 0.00 H ATOM 22 HG23 ILE A 2 27.313 34.920 33.345 1.00 0.00 H ATOM 23 HD11 ILE A 2 26.031 39.407 34.435 1.00 0.00 H ATOM 24 HD12 ILE A 2 26.872 39.221 35.990 1.00 0.00 H ATOM 25 HD13 ILE A 2 27.793 39.658 34.540 1.00 0.00 H ATOM 26 N PHE A 3 27.664 37.299 30.025 1.00 0.00 N ATOM 27 CA PHE A 3 27.723 37.200 28.533 1.00 0.00 C ATOM 28 C PHE A 3 29.129 37.049 27.868 1.00 0.00 C ATOM 29 O PHE A 3 29.325 36.105 27.098 1.00 0.00 O ATOM 30 CB PHE A 3 26.882 38.369 27.900 1.00 0.00 C ATOM 31 CG PHE A 3 27.022 39.780 28.538 1.00 0.00 C ATOM 32 CD1 PHE A 3 28.045 40.650 28.151 1.00 0.00 C ATOM 33 CD2 PHE A 3 26.255 40.087 29.672 1.00 0.00 C ATOM 34 CE1 PHE A 3 28.336 41.776 28.919 1.00 0.00 C ATOM 35 CE2 PHE A 3 26.562 41.198 30.449 1.00 0.00 C ATOM 36 CZ PHE A 3 27.604 42.040 30.075 1.00 0.00 C ATOM 37 H PHE A 3 27.145 38.073 30.453 1.00 0.00 H ATOM 38 HA PHE A 3 27.178 36.270 28.281 1.00 0.00 H ATOM 39 HB2 PHE A 3 27.083 38.430 26.812 1.00 0.00 H ATOM 40 HB3 PHE A 3 25.815 38.075 27.935 1.00 0.00 H ATOM 41 HD1 PHE A 3 28.663 40.422 27.294 1.00 0.00 H ATOM 42 HD2 PHE A 3 25.487 39.406 30.014 1.00 0.00 H ATOM 43 HE1 PHE A 3 29.158 42.419 28.645 1.00 0.00 H ATOM 44 HE2 PHE A 3 26.020 41.377 31.367 1.00 0.00 H ATOM 45 HZ PHE A 3 27.866 42.878 30.703 1.00 0.00 H ATOM 46 N SER A 4 30.096 37.928 28.196 1.00 0.00 N ATOM 47 CA SER A 4 31.511 37.787 27.750 1.00 0.00 C ATOM 48 C SER A 4 32.306 36.622 28.413 1.00 0.00 C ATOM 49 O SER A 4 33.059 35.941 27.715 1.00 0.00 O ATOM 50 CB SER A 4 32.290 39.107 27.950 1.00 0.00 C ATOM 51 OG SER A 4 31.632 40.215 27.348 1.00 0.00 O ATOM 52 H SER A 4 29.799 38.684 28.822 1.00 0.00 H ATOM 53 HA SER A 4 31.487 37.600 26.662 1.00 0.00 H ATOM 54 HB2 SER A 4 32.441 39.316 29.026 1.00 0.00 H ATOM 55 HB3 SER A 4 33.303 39.019 27.513 1.00 0.00 H ATOM 56 HG SER A 4 31.631 40.906 28.015 1.00 0.00 H ATOM 57 N ALA A 5 32.160 36.406 29.738 1.00 0.00 N ATOM 58 CA ALA A 5 32.865 35.339 30.488 1.00 0.00 C ATOM 59 C ALA A 5 32.399 33.916 30.089 1.00 0.00 C ATOM 60 O ALA A 5 33.185 33.177 29.503 1.00 0.00 O ATOM 61 CB ALA A 5 32.789 35.574 32.012 1.00 0.00 C ATOM 62 H ALA A 5 31.548 37.079 30.211 1.00 0.00 H ATOM 63 HA ALA A 5 33.929 35.448 30.224 1.00 0.00 H ATOM 64 HB1 ALA A 5 32.944 36.633 32.287 1.00 0.00 H ATOM 65 HB2 ALA A 5 31.815 35.268 32.439 1.00 0.00 H ATOM 66 HB3 ALA A 5 33.570 34.997 32.540 1.00 0.00 H ATOM 67 N ASN A 6 31.117 33.569 30.307 1.00 0.00 N ATOM 68 CA ASN A 6 30.497 32.308 29.796 1.00 0.00 C ATOM 69 C ASN A 6 30.242 32.218 28.244 1.00 0.00 C ATOM 70 O ASN A 6 29.523 31.321 27.791 1.00 0.00 O ATOM 71 CB ASN A 6 29.211 32.035 30.635 1.00 0.00 C ATOM 72 CG ASN A 6 29.450 31.789 32.145 1.00 0.00 C ATOM 73 OD1 ASN A 6 29.395 32.713 32.956 1.00 0.00 O ATOM 74 ND2 ASN A 6 29.757 30.562 32.538 1.00 0.00 N ATOM 75 H ASN A 6 30.564 34.276 30.804 1.00 0.00 H ATOM 76 HA ASN A 6 31.191 31.476 30.015 1.00 0.00 H ATOM 77 HB2 ASN A 6 28.502 32.879 30.520 1.00 0.00 H ATOM 78 HB3 ASN A 6 28.664 31.166 30.222 1.00 0.00 H ATOM 79 HD21 ASN A 6 29.796 29.844 31.806 1.00 0.00 H ATOM 80 HD22 ASN A 6 30.012 30.448 33.525 1.00 0.00 H ATOM 81 N ALA A 7 30.902 33.068 27.430 1.00 0.00 N ATOM 82 CA ALA A 7 31.196 32.797 26.006 1.00 0.00 C ATOM 83 C ALA A 7 32.745 32.723 25.857 1.00 0.00 C ATOM 84 O ALA A 7 33.296 31.623 25.931 1.00 0.00 O ATOM 85 CB ALA A 7 30.482 33.842 25.124 1.00 0.00 C ATOM 86 H ALA A 7 31.451 33.769 27.941 1.00 0.00 H ATOM 87 HA ALA A 7 30.797 31.809 25.704 1.00 0.00 H ATOM 88 HB1 ALA A 7 30.702 33.689 24.051 1.00 0.00 H ATOM 89 HB2 ALA A 7 29.383 33.809 25.243 1.00 0.00 H ATOM 90 HB3 ALA A 7 30.803 34.869 25.375 1.00 0.00 H ATOM 91 N TRP A 8 33.444 33.864 25.675 1.00 0.00 N ATOM 92 CA TRP A 8 34.875 33.909 25.253 1.00 0.00 C ATOM 93 C TRP A 8 35.924 33.470 26.308 1.00 0.00 C ATOM 94 O TRP A 8 36.814 32.684 25.965 1.00 0.00 O ATOM 95 CB TRP A 8 35.239 35.279 24.608 1.00 0.00 C ATOM 96 CG TRP A 8 34.519 35.534 23.272 1.00 0.00 C ATOM 97 CD1 TRP A 8 34.865 34.956 22.032 1.00 0.00 C ATOM 98 CD2 TRP A 8 33.281 36.120 23.077 1.00 0.00 C ATOM 99 NE1 TRP A 8 33.858 35.152 21.068 1.00 0.00 N ATOM 100 CE2 TRP A 8 32.874 35.855 21.746 1.00 0.00 C ATOM 101 CE3 TRP A 8 32.398 36.752 23.985 1.00 0.00 C ATOM 102 CZ2 TRP A 8 31.561 36.188 21.328 1.00 0.00 C ATOM 103 CZ3 TRP A 8 31.116 37.087 23.549 1.00 0.00 C ATOM 104 CH2 TRP A 8 30.701 36.802 22.242 1.00 0.00 C ATOM 105 H TRP A 8 32.864 34.711 25.660 1.00 0.00 H ATOM 106 HA TRP A 8 34.967 33.174 24.443 1.00 0.00 H ATOM 107 HB2 TRP A 8 35.040 36.105 25.319 1.00 0.00 H ATOM 108 HB3 TRP A 8 36.329 35.331 24.420 1.00 0.00 H ATOM 109 HD1 TRP A 8 35.739 34.341 21.871 1.00 0.00 H ATOM 110 HE1 TRP A 8 33.807 34.750 20.125 1.00 0.00 H ATOM 111 HE3 TRP A 8 32.702 36.926 25.004 1.00 0.00 H ATOM 112 HZ2 TRP A 8 31.217 35.945 20.333 1.00 0.00 H ATOM 113 HZ3 TRP A 8 30.422 37.538 24.243 1.00 0.00 H ATOM 114 HH2 TRP A 8 29.690 37.039 21.944 1.00 0.00 H ATOM 115 N ARG A 9 35.826 33.944 27.565 1.00 0.00 N ATOM 116 CA ARG A 9 36.721 33.492 28.666 1.00 0.00 C ATOM 117 C ARG A 9 36.600 31.976 29.031 1.00 0.00 C ATOM 118 O ARG A 9 37.633 31.325 29.172 1.00 0.00 O ATOM 119 CB ARG A 9 36.527 34.425 29.892 1.00 0.00 C ATOM 120 CG ARG A 9 37.659 34.346 30.933 1.00 0.00 C ATOM 121 CD ARG A 9 37.833 35.600 31.807 1.00 0.00 C ATOM 122 NE ARG A 9 39.105 35.502 32.572 1.00 0.00 N ATOM 123 CZ ARG A 9 40.206 36.248 32.342 1.00 0.00 C ATOM 124 NH1 ARG A 9 40.255 37.265 31.483 1.00 0.00 N ATOM 125 NH2 ARG A 9 41.306 35.952 33.009 1.00 0.00 N ATOM 126 H ARG A 9 35.054 34.600 27.725 1.00 0.00 H ATOM 127 HA ARG A 9 37.757 33.659 28.307 1.00 0.00 H ATOM 128 HB2 ARG A 9 36.426 35.475 29.553 1.00 0.00 H ATOM 129 HB3 ARG A 9 35.579 34.179 30.401 1.00 0.00 H ATOM 130 HG2 ARG A 9 37.475 33.473 31.577 1.00 0.00 H ATOM 131 HG3 ARG A 9 38.608 34.134 30.410 1.00 0.00 H ATOM 132 HD2 ARG A 9 37.792 36.510 31.179 1.00 0.00 H ATOM 133 HD3 ARG A 9 36.989 35.694 32.515 1.00 0.00 H ATOM 134 HE ARG A 9 39.252 34.745 33.249 1.00 0.00 H ATOM 135 HH11 ARG A 9 39.388 37.477 30.976 1.00 0.00 H ATOM 136 HH12 ARG A 9 41.150 37.760 31.404 1.00 0.00 H ATOM 137 HH21 ARG A 9 41.253 35.155 33.653 1.00 0.00 H ATOM 138 HH22 ARG A 9 42.129 36.533 32.814 1.00 0.00 H ATOM 139 N ALA A 10 35.372 31.433 29.158 1.00 0.00 N ATOM 140 CA ALA A 10 35.083 30.030 29.556 1.00 0.00 C ATOM 141 C ALA A 10 35.831 28.929 28.762 1.00 0.00 C ATOM 142 O ALA A 10 36.683 28.268 29.357 1.00 0.00 O ATOM 143 CB ALA A 10 33.552 29.838 29.593 1.00 0.00 C ATOM 144 H ALA A 10 34.610 32.107 29.022 1.00 0.00 H ATOM 145 HA ALA A 10 35.408 29.919 30.606 1.00 0.00 H ATOM 146 HB1 ALA A 10 33.031 30.348 28.759 1.00 0.00 H ATOM 147 HB2 ALA A 10 33.258 28.773 29.548 1.00 0.00 H ATOM 148 HB3 ALA A 10 33.127 30.239 30.533 1.00 0.00 H ATOM 149 N TYR A 11 35.603 28.748 27.446 1.00 0.00 N ATOM 150 CA TYR A 11 36.391 27.764 26.635 1.00 0.00 C ATOM 151 C TYR A 11 37.952 27.936 26.666 1.00 0.00 C ATOM 152 O TYR A 11 38.682 26.945 26.752 1.00 0.00 O ATOM 153 CB TYR A 11 35.815 27.632 25.192 1.00 0.00 C ATOM 154 CG TYR A 11 36.241 28.691 24.149 1.00 0.00 C ATOM 155 CD1 TYR A 11 35.555 29.898 24.035 1.00 0.00 C ATOM 156 CD2 TYR A 11 37.374 28.467 23.352 1.00 0.00 C ATOM 157 CE1 TYR A 11 35.991 30.876 23.142 1.00 0.00 C ATOM 158 CE2 TYR A 11 37.829 29.462 22.487 1.00 0.00 C ATOM 159 CZ TYR A 11 37.143 30.665 22.389 1.00 0.00 C ATOM 160 OH TYR A 11 37.596 31.658 21.557 1.00 0.00 O ATOM 161 H TYR A 11 34.888 29.360 27.036 1.00 0.00 H ATOM 162 HA TYR A 11 36.192 26.782 27.108 1.00 0.00 H ATOM 163 HB2 TYR A 11 36.095 26.630 24.813 1.00 0.00 H ATOM 164 HB3 TYR A 11 34.709 27.579 25.236 1.00 0.00 H ATOM 165 HD1 TYR A 11 34.687 30.087 24.647 1.00 0.00 H ATOM 166 HD2 TYR A 11 37.924 27.543 23.429 1.00 0.00 H ATOM 167 HE1 TYR A 11 35.440 31.788 23.016 1.00 0.00 H ATOM 168 HE2 TYR A 11 38.719 29.291 21.897 1.00 0.00 H ATOM 169 HH TYR A 11 38.426 31.380 21.164 1.00 0.00 H ATOM 170 N ASP A 12 38.427 29.195 26.590 1.00 0.00 N ATOM 171 CA ASP A 12 39.863 29.546 26.483 1.00 0.00 C ATOM 172 C ASP A 12 40.662 29.311 27.806 1.00 0.00 C ATOM 173 O ASP A 12 41.614 28.526 27.799 1.00 0.00 O ATOM 174 CB ASP A 12 39.900 31.006 25.937 1.00 0.00 C ATOM 175 CG ASP A 12 41.265 31.553 25.500 1.00 0.00 C ATOM 176 OD1 ASP A 12 42.081 30.796 24.927 1.00 0.00 O ATOM 177 OD2 ASP A 12 41.516 32.760 25.709 1.00 0.00 O ATOM 178 H ASP A 12 37.699 29.915 26.524 1.00 0.00 H ATOM 179 HA ASP A 12 40.305 28.898 25.700 1.00 0.00 H ATOM 180 HB2 ASP A 12 39.234 31.100 25.056 1.00 0.00 H ATOM 181 HB3 ASP A 12 39.465 31.696 26.688 1.00 0.00 H ATOM 182 N THR A 13 40.272 29.980 28.909 1.00 0.00 N ATOM 183 CA THR A 13 40.971 29.919 30.227 1.00 0.00 C ATOM 184 C THR A 13 40.060 29.475 31.426 1.00 0.00 C ATOM 185 O THR A 13 40.551 28.743 32.290 1.00 0.00 O ATOM 186 CB THR A 13 41.752 31.250 30.470 1.00 0.00 C ATOM 187 OG1 THR A 13 42.582 31.123 31.620 1.00 0.00 O ATOM 188 CG2 THR A 13 40.913 32.533 30.626 1.00 0.00 C ATOM 189 H THR A 13 39.491 30.627 28.752 1.00 0.00 H ATOM 190 HA THR A 13 41.755 29.138 30.168 1.00 0.00 H ATOM 191 HB THR A 13 42.427 31.413 29.608 1.00 0.00 H ATOM 192 HG1 THR A 13 43.100 31.930 31.662 1.00 0.00 H ATOM 193 HG21 THR A 13 40.232 32.675 29.767 1.00 0.00 H ATOM 194 HG22 THR A 13 40.293 32.514 31.542 1.00 0.00 H ATOM 195 HG23 THR A 13 41.552 33.433 30.681 1.00 0.00 H ATOM 196 N ALA A 14 38.789 29.929 31.525 1.00 0.00 N ATOM 197 CA ALA A 14 37.961 29.797 32.762 1.00 0.00 C ATOM 198 C ALA A 14 37.138 28.498 33.025 1.00 0.00 C ATOM 199 O ALA A 14 36.621 28.340 34.135 1.00 0.00 O ATOM 200 CB ALA A 14 37.077 31.049 32.890 1.00 0.00 C ATOM 201 H ALA A 14 38.480 30.501 30.731 1.00 0.00 H ATOM 202 HA ALA A 14 38.650 29.859 33.616 1.00 0.00 H ATOM 203 HB1 ALA A 14 36.403 30.998 33.765 1.00 0.00 H ATOM 204 HB2 ALA A 14 37.703 31.945 33.045 1.00 0.00 H ATOM 205 HB3 ALA A 14 36.444 31.232 32.005 1.00 0.00 H ATOM 206 N SER A 15 37.049 27.554 32.077 1.00 0.00 N ATOM 207 CA SER A 15 36.636 26.147 32.357 1.00 0.00 C ATOM 208 C SER A 15 37.818 25.256 32.868 1.00 0.00 C ATOM 209 O SER A 15 37.592 24.403 33.731 1.00 0.00 O ATOM 210 CB SER A 15 35.920 25.553 31.124 1.00 0.00 C ATOM 211 OG SER A 15 34.754 26.308 30.800 1.00 0.00 O ATOM 212 H SER A 15 37.503 27.803 31.192 1.00 0.00 H ATOM 213 HA SER A 15 35.876 26.156 33.162 1.00 0.00 H ATOM 214 HB2 SER A 15 36.592 25.520 30.246 1.00 0.00 H ATOM 215 HB3 SER A 15 35.615 24.508 31.319 1.00 0.00 H ATOM 216 HG SER A 15 34.508 26.055 29.907 1.00 0.00 H ATOM 217 N ALA A 16 39.072 25.494 32.412 1.00 0.00 N ATOM 218 CA ALA A 16 40.298 25.070 33.143 1.00 0.00 C ATOM 219 C ALA A 16 40.621 25.780 34.504 1.00 0.00 C ATOM 220 O ALA A 16 41.492 25.271 35.215 1.00 0.00 O ATOM 221 CB ALA A 16 41.499 25.198 32.189 1.00 0.00 C ATOM 222 H ALA A 16 39.120 26.193 31.663 1.00 0.00 H ATOM 223 HA ALA A 16 40.194 23.989 33.367 1.00 0.00 H ATOM 224 HB1 ALA A 16 42.426 24.811 32.654 1.00 0.00 H ATOM 225 HB2 ALA A 16 41.354 24.618 31.258 1.00 0.00 H ATOM 226 HB3 ALA A 16 41.694 26.248 31.900 1.00 0.00 H ATOM 227 N GLU A 17 39.915 26.858 34.941 1.00 0.00 N ATOM 228 CA GLU A 17 39.840 27.231 36.395 1.00 0.00 C ATOM 229 C GLU A 17 39.361 26.072 37.320 1.00 0.00 C ATOM 230 O GLU A 17 39.968 25.858 38.373 1.00 0.00 O ATOM 231 CB GLU A 17 38.936 28.464 36.683 1.00 0.00 C ATOM 232 CG GLU A 17 39.550 29.842 36.381 1.00 0.00 C ATOM 233 CD GLU A 17 38.593 30.983 36.750 1.00 0.00 C ATOM 234 OE1 GLU A 17 38.466 31.296 37.955 1.00 0.00 O ATOM 235 OE2 GLU A 17 37.959 31.566 35.846 1.00 0.00 O ATOM 236 H GLU A 17 39.240 27.225 34.261 1.00 0.00 H ATOM 237 HA GLU A 17 40.866 27.491 36.720 1.00 0.00 H ATOM 238 HB2 GLU A 17 37.964 28.347 36.171 1.00 0.00 H ATOM 239 HB3 GLU A 17 38.667 28.480 37.759 1.00 0.00 H ATOM 240 HG2 GLU A 17 40.488 29.966 36.952 1.00 0.00 H ATOM 241 HG3 GLU A 17 39.851 29.915 35.323 1.00 0.00 H ATOM 242 N ARG A 18 38.290 25.346 36.924 1.00 0.00 N ATOM 243 CA ARG A 18 37.795 24.134 37.626 1.00 0.00 C ATOM 244 C ARG A 18 37.088 24.544 38.943 1.00 0.00 C ATOM 245 O ARG A 18 37.656 24.432 40.034 1.00 0.00 O ATOM 246 CB ARG A 18 38.857 23.004 37.793 1.00 0.00 C ATOM 247 CG ARG A 18 39.459 22.468 36.468 1.00 0.00 C ATOM 248 CD ARG A 18 40.707 21.589 36.654 1.00 0.00 C ATOM 249 NE ARG A 18 41.919 22.442 36.765 1.00 0.00 N ATOM 250 CZ ARG A 18 43.030 22.303 36.018 1.00 0.00 C ATOM 251 NH1 ARG A 18 43.283 21.248 35.247 1.00 0.00 N ATOM 252 NH2 ARG A 18 43.922 23.275 36.052 1.00 0.00 N ATOM 253 H ARG A 18 37.867 25.657 36.042 1.00 0.00 H ATOM 254 HA ARG A 18 37.020 23.710 36.959 1.00 0.00 H ATOM 255 HB2 ARG A 18 39.668 23.356 38.455 1.00 0.00 H ATOM 256 HB3 ARG A 18 38.406 22.155 38.343 1.00 0.00 H ATOM 257 HG2 ARG A 18 38.706 21.883 35.920 1.00 0.00 H ATOM 258 HG3 ARG A 18 39.684 23.300 35.776 1.00 0.00 H ATOM 259 HD2 ARG A 18 40.611 20.947 37.550 1.00 0.00 H ATOM 260 HD3 ARG A 18 40.767 20.890 35.798 1.00 0.00 H ATOM 261 HE ARG A 18 41.888 23.318 37.300 1.00 0.00 H ATOM 262 HH11 ARG A 18 42.576 20.504 35.247 1.00 0.00 H ATOM 263 HH12 ARG A 18 44.164 21.260 34.723 1.00 0.00 H ATOM 264 HH21 ARG A 18 43.688 24.090 36.630 1.00 0.00 H ATOM 265 HH22 ARG A 18 44.748 23.160 35.455 1.00 0.00 H ATOM 266 N ARG A 19 35.841 25.042 38.809 1.00 0.00 N ATOM 267 CA ARG A 19 35.025 25.532 39.939 1.00 0.00 C ATOM 268 C ARG A 19 34.663 24.357 40.860 1.00 0.00 C ATOM 269 O ARG A 19 34.104 23.351 40.405 1.00 0.00 O ATOM 270 CB ARG A 19 33.729 26.234 39.442 1.00 0.00 C ATOM 271 CG ARG A 19 33.066 27.170 40.480 1.00 0.00 C ATOM 272 CD ARG A 19 33.854 28.484 40.631 1.00 0.00 C ATOM 273 NE ARG A 19 33.378 29.330 41.750 1.00 0.00 N ATOM 274 CZ ARG A 19 33.257 30.670 41.684 1.00 0.00 C ATOM 275 NH1 ARG A 19 33.245 31.360 40.545 1.00 0.00 N ATOM 276 NH2 ARG A 19 33.143 31.338 42.815 1.00 0.00 N ATOM 277 H ARG A 19 35.518 25.131 37.839 1.00 0.00 H ATOM 278 HA ARG A 19 35.649 26.277 40.470 1.00 0.00 H ATOM 279 HB2 ARG A 19 33.943 26.829 38.538 1.00 0.00 H ATOM 280 HB3 ARG A 19 32.987 25.482 39.105 1.00 0.00 H ATOM 281 HG2 ARG A 19 32.032 27.397 40.160 1.00 0.00 H ATOM 282 HG3 ARG A 19 32.963 26.652 41.451 1.00 0.00 H ATOM 283 HD2 ARG A 19 34.921 28.274 40.826 1.00 0.00 H ATOM 284 HD3 ARG A 19 33.839 29.012 39.659 1.00 0.00 H ATOM 285 HE ARG A 19 33.358 28.961 42.707 1.00 0.00 H ATOM 286 HH11 ARG A 19 33.319 30.809 39.682 1.00 0.00 H ATOM 287 HH12 ARG A 19 33.147 32.378 40.618 1.00 0.00 H ATOM 288 HH21 ARG A 19 33.189 30.787 43.680 1.00 0.00 H ATOM 289 HH22 ARG A 19 33.083 32.359 42.737 1.00 0.00 H ATOM 290 N LEU A 20 35.043 24.500 42.140 1.00 0.00 N ATOM 291 CA LEU A 20 34.818 23.455 43.177 1.00 0.00 C ATOM 292 C LEU A 20 35.895 22.318 43.141 1.00 0.00 C ATOM 293 O LEU A 20 36.336 21.901 44.215 1.00 0.00 O ATOM 294 CB LEU A 20 33.330 22.974 43.289 1.00 0.00 C ATOM 295 CG LEU A 20 32.278 24.135 43.397 1.00 0.00 C ATOM 296 CD1 LEU A 20 31.122 24.016 42.385 1.00 0.00 C ATOM 297 CD2 LEU A 20 31.789 24.371 44.833 1.00 0.00 C ATOM 298 H LEU A 20 35.413 25.427 42.377 1.00 0.00 H ATOM 299 HA LEU A 20 35.005 23.985 44.129 1.00 0.00 H ATOM 300 HB2 LEU A 20 33.099 22.326 42.422 1.00 0.00 H ATOM 301 HB3 LEU A 20 33.228 22.282 44.147 1.00 0.00 H ATOM 302 HG LEU A 20 32.766 25.086 43.125 1.00 0.00 H ATOM 303 HD11 LEU A 20 31.506 23.908 41.353 1.00 0.00 H ATOM 304 HD12 LEU A 20 30.462 23.152 42.584 1.00 0.00 H ATOM 305 HD13 LEU A 20 30.495 24.927 42.381 1.00 0.00 H ATOM 306 HD21 LEU A 20 31.162 23.541 45.205 1.00 0.00 H ATOM 307 HD22 LEU A 20 32.642 24.486 45.528 1.00 0.00 H ATOM 308 HD23 LEU A 20 31.195 25.301 44.904 1.00 0.00 H ATOM 309 N SER A 21 36.320 21.831 41.943 1.00 0.00 N ATOM 310 CA SER A 21 37.300 20.720 41.756 1.00 0.00 C ATOM 311 C SER A 21 36.713 19.294 41.980 1.00 0.00 C ATOM 312 O SER A 21 36.927 18.413 41.142 1.00 0.00 O ATOM 313 CB SER A 21 38.687 20.943 42.410 1.00 0.00 C ATOM 314 OG SER A 21 39.633 19.976 41.964 1.00 0.00 O ATOM 315 H SER A 21 35.886 22.290 41.133 1.00 0.00 H ATOM 316 HA SER A 21 37.525 20.767 40.674 1.00 0.00 H ATOM 317 HB2 SER A 21 39.074 21.949 42.161 1.00 0.00 H ATOM 318 HB3 SER A 21 38.619 20.900 43.511 1.00 0.00 H ATOM 319 HG SER A 21 39.832 20.195 41.050 1.00 0.00 H ATOM 320 N GLY A 22 35.987 19.075 43.094 1.00 0.00 N ATOM 321 CA GLY A 22 35.352 17.782 43.427 1.00 0.00 C ATOM 322 C GLY A 22 34.266 17.283 42.450 1.00 0.00 C ATOM 323 O GLY A 22 34.424 16.220 41.845 1.00 0.00 O ATOM 324 H GLY A 22 35.792 19.925 43.635 1.00 0.00 H ATOM 325 HA2 GLY A 22 36.136 17.013 43.552 1.00 0.00 H ATOM 326 HA3 GLY A 22 34.898 17.887 44.431 1.00 0.00 H ATOM 327 N THR A 23 33.180 18.062 42.314 1.00 0.00 N ATOM 328 CA THR A 23 32.024 17.717 41.435 1.00 0.00 C ATOM 329 C THR A 23 32.321 18.018 39.918 1.00 0.00 C ATOM 330 O THR A 23 33.189 18.855 39.640 1.00 0.00 O ATOM 331 CB THR A 23 30.729 18.387 41.990 1.00 0.00 C ATOM 332 OG1 THR A 23 30.892 19.797 42.138 1.00 0.00 O ATOM 333 CG2 THR A 23 30.266 17.784 43.334 1.00 0.00 C ATOM 334 H THR A 23 33.209 18.939 42.844 1.00 0.00 H ATOM 335 HA THR A 23 31.875 16.623 41.516 1.00 0.00 H ATOM 336 HB THR A 23 29.902 18.228 41.275 1.00 0.00 H ATOM 337 HG1 THR A 23 30.073 20.117 42.523 1.00 0.00 H ATOM 338 HG21 THR A 23 29.947 16.732 43.211 1.00 0.00 H ATOM 339 HG22 THR A 23 31.069 17.790 44.094 1.00 0.00 H ATOM 340 HG23 THR A 23 29.411 18.337 43.762 1.00 0.00 H ATOM 341 N PRO A 24 31.710 17.325 38.906 1.00 0.00 N ATOM 342 CA PRO A 24 32.346 17.124 37.576 1.00 0.00 C ATOM 343 C PRO A 24 32.429 18.390 36.685 1.00 0.00 C ATOM 344 O PRO A 24 31.400 18.994 36.396 1.00 0.00 O ATOM 345 CB PRO A 24 31.483 16.032 36.908 1.00 0.00 C ATOM 346 CG PRO A 24 30.471 15.530 37.937 1.00 0.00 C ATOM 347 CD PRO A 24 30.465 16.549 39.073 1.00 0.00 C ATOM 348 HA PRO A 24 33.357 16.700 37.743 1.00 0.00 H ATOM 349 HB2 PRO A 24 30.939 16.425 36.032 1.00 0.00 H ATOM 350 HB3 PRO A 24 32.106 15.203 36.524 1.00 0.00 H ATOM 351 HG2 PRO A 24 29.463 15.412 37.494 1.00 0.00 H ATOM 352 HG3 PRO A 24 30.771 14.536 38.316 1.00 0.00 H ATOM 353 HD2 PRO A 24 29.596 17.229 38.985 1.00 0.00 H ATOM 354 HD3 PRO A 24 30.380 16.035 40.046 1.00 0.00 H ATOM 355 N ILE A 25 33.640 18.753 36.235 1.00 0.00 N ATOM 356 CA ILE A 25 33.913 20.025 35.489 1.00 0.00 C ATOM 357 C ILE A 25 33.219 20.170 34.093 1.00 0.00 C ATOM 358 O ILE A 25 32.817 21.284 33.750 1.00 0.00 O ATOM 359 CB ILE A 25 35.469 20.289 35.524 1.00 0.00 C ATOM 360 CG1 ILE A 25 35.890 20.960 36.867 1.00 0.00 C ATOM 361 CG2 ILE A 25 36.055 21.129 34.354 1.00 0.00 C ATOM 362 CD1 ILE A 25 36.074 20.060 38.095 1.00 0.00 C ATOM 363 H ILE A 25 34.408 18.174 36.591 1.00 0.00 H ATOM 364 HA ILE A 25 33.443 20.835 36.083 1.00 0.00 H ATOM 365 HB ILE A 25 35.998 19.319 35.436 1.00 0.00 H ATOM 366 HG12 ILE A 25 36.848 21.472 36.741 1.00 0.00 H ATOM 367 HG13 ILE A 25 35.192 21.779 37.121 1.00 0.00 H ATOM 368 HG21 ILE A 25 37.160 21.100 34.348 1.00 0.00 H ATOM 369 HG22 ILE A 25 35.744 20.745 33.364 1.00 0.00 H ATOM 370 HG23 ILE A 25 35.754 22.191 34.399 1.00 0.00 H ATOM 371 HD11 ILE A 25 37.041 19.526 38.067 1.00 0.00 H ATOM 372 HD12 ILE A 25 36.061 20.673 39.013 1.00 0.00 H ATOM 373 HD13 ILE A 25 35.281 19.305 38.211 1.00 0.00 H ATOM 374 N SER A 26 33.063 19.091 33.305 1.00 0.00 N ATOM 375 CA SER A 26 32.144 19.067 32.126 1.00 0.00 C ATOM 376 C SER A 26 30.665 19.510 32.403 1.00 0.00 C ATOM 377 O SER A 26 30.125 20.360 31.690 1.00 0.00 O ATOM 378 CB SER A 26 32.221 17.657 31.489 1.00 0.00 C ATOM 379 OG SER A 26 31.806 16.634 32.394 1.00 0.00 O ATOM 380 H SER A 26 33.479 18.232 33.678 1.00 0.00 H ATOM 381 HA SER A 26 32.558 19.772 31.379 1.00 0.00 H ATOM 382 HB2 SER A 26 31.598 17.608 30.577 1.00 0.00 H ATOM 383 HB3 SER A 26 33.253 17.442 31.153 1.00 0.00 H ATOM 384 HG SER A 26 32.285 15.841 32.140 1.00 0.00 H ATOM 385 N PHE A 27 30.058 18.950 33.462 1.00 0.00 N ATOM 386 CA PHE A 27 28.697 19.309 33.955 1.00 0.00 C ATOM 387 C PHE A 27 28.578 20.638 34.768 1.00 0.00 C ATOM 388 O PHE A 27 27.532 21.287 34.719 1.00 0.00 O ATOM 389 CB PHE A 27 28.196 18.115 34.824 1.00 0.00 C ATOM 390 CG PHE A 27 27.843 16.844 34.028 1.00 0.00 C ATOM 391 CD1 PHE A 27 26.650 16.801 33.299 1.00 0.00 C ATOM 392 CD2 PHE A 27 28.720 15.754 33.970 1.00 0.00 C ATOM 393 CE1 PHE A 27 26.342 15.688 32.522 1.00 0.00 C ATOM 394 CE2 PHE A 27 28.406 14.638 33.200 1.00 0.00 C ATOM 395 CZ PHE A 27 27.218 14.607 32.475 1.00 0.00 C ATOM 396 H PHE A 27 30.650 18.287 33.976 1.00 0.00 H ATOM 397 HA PHE A 27 28.023 19.411 33.082 1.00 0.00 H ATOM 398 HB2 PHE A 27 28.939 17.885 35.616 1.00 0.00 H ATOM 399 HB3 PHE A 27 27.299 18.416 35.399 1.00 0.00 H ATOM 400 HD1 PHE A 27 25.973 17.644 33.315 1.00 0.00 H ATOM 401 HD2 PHE A 27 29.660 15.767 34.495 1.00 0.00 H ATOM 402 HE1 PHE A 27 25.427 15.672 31.949 1.00 0.00 H ATOM 403 HE2 PHE A 27 29.090 13.803 33.158 1.00 0.00 H ATOM 404 HZ PHE A 27 26.980 13.745 31.869 1.00 0.00 H ATOM 405 N ILE A 28 29.619 21.005 35.531 1.00 0.00 N ATOM 406 CA ILE A 28 29.684 22.220 36.396 1.00 0.00 C ATOM 407 C ILE A 28 30.064 23.505 35.599 1.00 0.00 C ATOM 408 O ILE A 28 29.537 24.575 35.920 1.00 0.00 O ATOM 409 CB ILE A 28 30.613 21.880 37.627 1.00 0.00 C ATOM 410 CG1 ILE A 28 29.928 20.897 38.626 1.00 0.00 C ATOM 411 CG2 ILE A 28 31.264 23.068 38.376 1.00 0.00 C ATOM 412 CD1 ILE A 28 28.797 21.469 39.500 1.00 0.00 C ATOM 413 H ILE A 28 30.437 20.394 35.430 1.00 0.00 H ATOM 414 HA ILE A 28 28.667 22.416 36.788 1.00 0.00 H ATOM 415 HB ILE A 28 31.494 21.341 37.232 1.00 0.00 H ATOM 416 HG12 ILE A 28 29.526 20.032 38.066 1.00 0.00 H ATOM 417 HG13 ILE A 28 30.693 20.447 39.286 1.00 0.00 H ATOM 418 HG21 ILE A 28 30.538 23.866 38.616 1.00 0.00 H ATOM 419 HG22 ILE A 28 31.736 22.748 39.322 1.00 0.00 H ATOM 420 HG23 ILE A 28 32.070 23.524 37.772 1.00 0.00 H ATOM 421 HD11 ILE A 28 28.054 20.690 39.750 1.00 0.00 H ATOM 422 HD12 ILE A 28 29.193 21.866 40.452 1.00 0.00 H ATOM 423 HD13 ILE A 28 28.251 22.292 39.005 1.00 0.00 H ATOM 424 N LEU A 29 30.954 23.411 34.592 1.00 0.00 N ATOM 425 CA LEU A 29 31.236 24.531 33.645 1.00 0.00 C ATOM 426 C LEU A 29 30.740 24.189 32.201 1.00 0.00 C ATOM 427 O LEU A 29 31.432 24.359 31.194 1.00 0.00 O ATOM 428 CB LEU A 29 32.737 24.892 33.763 1.00 0.00 C ATOM 429 CG LEU A 29 33.187 25.302 35.202 1.00 0.00 C ATOM 430 CD1 LEU A 29 34.457 24.548 35.603 1.00 0.00 C ATOM 431 CD2 LEU A 29 33.229 26.822 35.418 1.00 0.00 C ATOM 432 H LEU A 29 31.317 22.466 34.428 1.00 0.00 H ATOM 433 HA LEU A 29 30.681 25.445 33.939 1.00 0.00 H ATOM 434 HB2 LEU A 29 33.329 24.033 33.387 1.00 0.00 H ATOM 435 HB3 LEU A 29 32.982 25.705 33.052 1.00 0.00 H ATOM 436 HG LEU A 29 32.445 24.965 35.947 1.00 0.00 H ATOM 437 HD11 LEU A 29 35.247 24.582 34.835 1.00 0.00 H ATOM 438 HD12 LEU A 29 34.878 24.956 36.525 1.00 0.00 H ATOM 439 HD13 LEU A 29 34.227 23.483 35.799 1.00 0.00 H ATOM 440 HD21 LEU A 29 33.939 27.332 34.745 1.00 0.00 H ATOM 441 HD22 LEU A 29 32.227 27.264 35.262 1.00 0.00 H ATOM 442 HD23 LEU A 29 33.513 27.071 36.454 1.00 0.00 H ATOM 443 N LEU A 30 29.461 23.779 32.164 1.00 0.00 N ATOM 444 CA LEU A 30 28.609 23.574 30.975 1.00 0.00 C ATOM 445 C LEU A 30 28.563 24.752 29.955 1.00 0.00 C ATOM 446 O LEU A 30 28.661 25.930 30.304 1.00 0.00 O ATOM 447 CB LEU A 30 27.193 23.268 31.567 1.00 0.00 C ATOM 448 CG LEU A 30 26.506 24.398 32.421 1.00 0.00 C ATOM 449 CD1 LEU A 30 25.043 24.632 32.012 1.00 0.00 C ATOM 450 CD2 LEU A 30 26.620 24.192 33.946 1.00 0.00 C ATOM 451 H LEU A 30 29.088 23.572 33.097 1.00 0.00 H ATOM 452 HA LEU A 30 28.969 22.659 30.463 1.00 0.00 H ATOM 453 HB2 LEU A 30 26.540 22.974 30.724 1.00 0.00 H ATOM 454 HB3 LEU A 30 27.243 22.334 32.164 1.00 0.00 H ATOM 455 HG LEU A 30 27.028 25.351 32.223 1.00 0.00 H ATOM 456 HD11 LEU A 30 24.470 23.689 31.959 1.00 0.00 H ATOM 457 HD12 LEU A 30 24.518 25.304 32.716 1.00 0.00 H ATOM 458 HD13 LEU A 30 24.992 25.110 31.016 1.00 0.00 H ATOM 459 HD21 LEU A 30 27.654 23.961 34.249 1.00 0.00 H ATOM 460 HD22 LEU A 30 26.336 25.107 34.500 1.00 0.00 H ATOM 461 HD23 LEU A 30 25.981 23.370 34.317 1.00 0.00 H HETATM 462 N NH2 A 31 28.389 24.460 28.675 1.00 0.00 N HETATM 463 HN1 NH2 A 31 28.314 23.465 28.434 1.00 0.00 H HETATM 464 HN2 NH2 A 31 28.289 25.257 28.038 1.00 0.00 H TER 465 NH2 A 31 CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 1 CONECT 445 462 CONECT 462 445 463 464 CONECT 463 462 CONECT 464 462 MASTER 120 0 2 2 0 0 2 6 464 1 11 3 END