HEADER MUSCLE PROTEIN 12-NOV-92 1CTA TITLE DETERMINATION OF THE SOLUTION STRUCTURE OF A SYNTHETIC TWO- TITLE 2 SITE CALCIUM-BINDING HOMODIMERIC PROTEIN DOMAIN BY NMR TITLE 3 SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: TROPONIN C SITE III - SITE III HOMODIMER; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1 KEYWDS MUSCLE PROTEIN EXPDTA SOLUTION NMR AUTHOR G.S.SHAW,B.D.SYKES REVDAT 2 24-FEB-09 1CTA 1 VERSN REVDAT 1 31-OCT-93 1CTA 0 JRNL AUTH G.S.SHAW,R.S.HODGES,B.D.SYKES JRNL TITL DETERMINATION OF THE SOLUTION STRUCTURE OF A JRNL TITL 2 SYNTHETIC TWO-SITE CALCIUM-BINDING HOMODIMERIC JRNL TITL 3 PROTEIN DOMAIN BY NMR SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 31 9572 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1390738 JRNL DOI 10.1021/BI00155A009 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CTA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 2 148.55 -15.92 REMARK 500 GLU A 3 -62.21 67.66 REMARK 500 ARG A 31 92.63 -55.72 REMARK 500 ALA A 32 47.29 -82.33 REMARK 500 THR A 33 101.34 -18.70 REMARK 500 SER B 2 67.03 69.72 REMARK 500 GLU B 3 -24.96 54.41 REMARK 500 THR B 33 47.74 -89.95 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 ALA A 32 THR A 33 -105.60 REMARK 500 LYS B 1 SER B 2 -127.39 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 B 31 0.14 SIDE_CHAIN 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, 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 ALA A 9 -11.67 REMARK 500 PHE A 10 -10.30 REMARK 500 PHE B 10 -10.65 REMARK 500 ALA B 17 -10.66 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 69 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 16 ND2 REMARK 620 2 ASP A 18 OD1 64.8 REMARK 620 3 TYR A 20 O 131.5 66.7 REMARK 620 4 GLU A 25 OE2 97.0 161.3 131.0 REMARK 620 5 GLU A 25 OE1 112.4 140.2 105.9 49.1 REMARK 620 6 ASP A 14 OD1 85.2 60.1 68.8 116.3 156.9 REMARK 620 7 ASN A 16 OD1 47.2 108.6 164.6 56.2 67.8 122.6 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA B 70 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU B 25 OE2 REMARK 620 2 GLU B 25 OE1 48.5 REMARK 620 3 ASN B 16 OD1 58.8 73.5 REMARK 620 4 TYR B 20 O 120.0 96.5 167.6 REMARK 620 5 ASP B 18 OD1 173.1 136.6 116.2 65.9 REMARK 620 6 ASP B 14 OD1 116.3 149.7 125.1 67.2 61.7 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 69 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 70 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CTD RELATED DB: PDB DBREF 1CTA A 1 34 UNP P02588 TPCS_CHICK 93 126 DBREF 1CTA B 1 34 UNP P02588 TPCS_CHICK 93 126 SEQADV 1CTA ALA A 9 UNP P02588 CYS 101 CONFLICT SEQADV 1CTA TYR A 20 UNP P02588 PHE 112 CONFLICT SEQADV 1CTA ALA B 9 UNP P02588 CYS 101 CONFLICT SEQADV 1CTA TYR B 20 UNP P02588 PHE 112 CONFLICT SEQRES 1 A 36 ACE LYS SER GLU GLU GLU LEU ALA ASN ALA PHE ARG ILE SEQRES 2 A 36 PHE ASP LYS ASN ALA ASP GLY TYR ILE ASP ILE GLU GLU SEQRES 3 A 36 LEU GLY GLU ILE LEU ARG ALA THR GLY NH2 SEQRES 1 B 36 ACE LYS SER GLU GLU GLU LEU ALA ASN ALA PHE ARG ILE SEQRES 2 B 36 PHE ASP LYS ASN ALA ASP GLY TYR ILE ASP ILE GLU GLU SEQRES 3 B 36 LEU GLY GLU ILE LEU ARG ALA THR GLY NH2 HET ACE A 0 3 HET NH2 A 35 3 HET ACE B 0 3 HET NH2 B 35 3 HET CA A 69 1 HET CA B 70 1 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP HETNAM CA CALCIUM ION FORMUL 1 ACE 2(C2 H4 O) FORMUL 1 NH2 2(H2 N) FORMUL 3 CA 2(CA 2+) HELIX 1 1 GLU A 3 ASP A 14 1 12 HELIX 2 2 ASP A 22 ARG A 31 1 10 HELIX 3 3 GLU B 3 ASP B 14 1 12 HELIX 4 4 ASP B 22 ARG B 31 1 10 LINK C ACE A 0 H LYS A 1 1555 1555 0.90 LINK C GLY A 34 N NH2 A 35 1555 1555 1.31 LINK O ACE B 0 H LYS B 1 1555 1555 1.15 LINK C GLY B 34 N NH2 B 35 1555 1555 1.32 LINK C ACE A 0 N LYS A 1 1555 1555 1.31 LINK CA CA A 69 ND2 ASN A 16 1555 1555 2.61 LINK CA CA A 69 OD1 ASP A 18 1555 1555 2.76 LINK CA CA A 69 O TYR A 20 1555 1555 2.71 LINK CA CA A 69 OE2 GLU A 25 1555 1555 2.79 LINK CA CA A 69 OE1 GLU A 25 1555 1555 2.58 LINK CA CA A 69 OD1 ASP A 14 1555 1555 2.72 LINK CA CA A 69 OD1 ASN A 16 1555 1555 2.83 LINK C ACE B 0 N LYS B 1 1555 1555 1.31 LINK CA CA B 70 OE2 GLU B 25 1555 1555 2.76 LINK CA CA B 70 OE1 GLU B 25 1555 1555 2.67 LINK CA CA B 70 OD1 ASN B 16 1555 1555 2.72 LINK CA CA B 70 O TYR B 20 1555 1555 2.75 LINK CA CA B 70 OD1 ASP B 18 1555 1555 2.70 LINK CA CA B 70 OD1 ASP B 14 1555 1555 2.72 SITE 1 AC1 6 ASP A 14 ASN A 16 ASP A 18 TYR A 20 SITE 2 AC1 6 ASP A 22 GLU A 25 SITE 1 AC2 5 ASP B 14 ASN B 16 ASP B 18 TYR B 20 SITE 2 AC2 5 GLU B 25 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 0 1.907 17.529 -5.138 1.00 0.00 C HETATM 2 O ACE A 0 2.427 16.579 -5.692 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.791 17.691 -3.626 1.00 0.00 C ATOM 4 N LYS A 1 1.275 18.378 -5.909 1.00 0.00 N ATOM 5 CA LYS A 1 0.100 18.856 -6.670 1.00 0.00 C ATOM 6 C LYS A 1 -0.635 17.743 -7.432 1.00 0.00 C ATOM 7 O LYS A 1 -0.094 17.126 -8.352 1.00 0.00 O ATOM 8 CB LYS A 1 0.533 19.936 -7.671 1.00 0.00 C ATOM 9 CG LYS A 1 1.373 21.064 -7.069 1.00 0.00 C ATOM 10 CD LYS A 1 2.776 21.193 -7.706 1.00 0.00 C ATOM 11 CE LYS A 1 3.812 20.142 -7.272 1.00 0.00 C ATOM 12 NZ LYS A 1 3.530 18.823 -7.862 1.00 0.00 N ATOM 13 H LYS A 1 1.676 17.437 -6.003 1.00 0.00 H ATOM 14 HZ1 LYS A 1 2.591 18.564 -7.624 1.00 0.00 H ATOM 15 HZ2 LYS A 1 3.598 18.877 -8.859 1.00 0.00 H ATOM 16 HZ3 LYS A 1 4.159 18.136 -7.498 1.00 0.00 H ATOM 17 N SER A 2 -1.741 17.350 -6.820 1.00 0.00 N ATOM 18 CA SER A 2 -2.824 16.476 -7.347 1.00 0.00 C ATOM 19 C SER A 2 -2.862 16.259 -8.876 1.00 0.00 C ATOM 20 O SER A 2 -2.563 17.164 -9.654 1.00 0.00 O ATOM 21 CB SER A 2 -4.152 17.098 -6.915 1.00 0.00 C ATOM 22 OG SER A 2 -4.113 17.295 -5.500 1.00 0.00 O ATOM 23 H SER A 2 -1.917 17.621 -5.879 1.00 0.00 H ATOM 24 HG SER A 2 -4.663 16.586 -5.043 1.00 0.00 H ATOM 25 N GLU A 3 -3.334 15.058 -9.259 1.00 0.00 N ATOM 26 CA GLU A 3 -3.345 14.525 -10.643 1.00 0.00 C ATOM 27 C GLU A 3 -1.930 14.245 -11.161 1.00 0.00 C ATOM 28 O GLU A 3 -1.507 13.093 -11.249 1.00 0.00 O ATOM 29 CB GLU A 3 -4.137 15.425 -11.634 1.00 0.00 C ATOM 30 CG GLU A 3 -5.665 15.318 -11.527 1.00 0.00 C ATOM 31 CD GLU A 3 -6.214 15.553 -10.113 1.00 0.00 C ATOM 32 OE1 GLU A 3 -6.154 16.713 -9.642 1.00 0.00 O ATOM 33 OE2 GLU A 3 -6.620 14.547 -9.503 1.00 0.00 O ATOM 34 H GLU A 3 -3.749 14.452 -8.587 1.00 0.00 H ATOM 35 N GLU A 4 -1.149 15.321 -11.241 1.00 0.00 N ATOM 36 CA GLU A 4 0.282 15.306 -11.577 1.00 0.00 C ATOM 37 C GLU A 4 1.117 14.530 -10.540 1.00 0.00 C ATOM 38 O GLU A 4 1.985 13.737 -10.907 1.00 0.00 O ATOM 39 CB GLU A 4 0.705 16.773 -11.719 1.00 0.00 C ATOM 40 CG GLU A 4 2.148 16.978 -12.159 1.00 0.00 C ATOM 41 CD GLU A 4 2.925 17.752 -11.081 1.00 0.00 C ATOM 42 OE1 GLU A 4 2.437 18.819 -10.666 1.00 0.00 O ATOM 43 OE2 GLU A 4 3.963 17.202 -10.642 1.00 0.00 O ATOM 44 H GLU A 4 -1.519 16.235 -11.097 1.00 0.00 H ATOM 45 N GLU A 5 0.842 14.729 -9.247 1.00 0.00 N ATOM 46 CA GLU A 5 1.420 13.925 -8.147 1.00 0.00 C ATOM 47 C GLU A 5 1.262 12.409 -8.380 1.00 0.00 C ATOM 48 O GLU A 5 2.224 11.657 -8.276 1.00 0.00 O ATOM 49 CB GLU A 5 0.737 14.313 -6.830 1.00 0.00 C ATOM 50 CG GLU A 5 1.339 13.605 -5.600 1.00 0.00 C ATOM 51 CD GLU A 5 0.814 14.127 -4.257 1.00 0.00 C ATOM 52 OE1 GLU A 5 -0.314 14.670 -4.222 1.00 0.00 O ATOM 53 OE2 GLU A 5 1.560 13.987 -3.262 1.00 0.00 O ATOM 54 H GLU A 5 0.393 15.581 -8.948 1.00 0.00 H ATOM 55 N LEU A 6 0.027 12.008 -8.689 1.00 0.00 N ATOM 56 CA LEU A 6 -0.316 10.621 -8.995 1.00 0.00 C ATOM 57 C LEU A 6 0.511 10.044 -10.153 1.00 0.00 C ATOM 58 O LEU A 6 1.164 9.025 -9.974 1.00 0.00 O ATOM 59 CB LEU A 6 -1.817 10.599 -9.314 1.00 0.00 C ATOM 60 CG LEU A 6 -2.420 9.191 -9.302 1.00 0.00 C ATOM 61 CD1 LEU A 6 -2.370 8.602 -7.889 1.00 0.00 C ATOM 62 CD2 LEU A 6 -3.865 9.286 -9.777 1.00 0.00 C ATOM 63 H LEU A 6 -0.765 12.605 -8.677 1.00 0.00 H ATOM 64 N ALA A 7 0.631 10.840 -11.221 1.00 0.00 N ATOM 65 CA ALA A 7 1.519 10.564 -12.368 1.00 0.00 C ATOM 66 C ALA A 7 2.981 10.287 -11.937 1.00 0.00 C ATOM 67 O ALA A 7 3.510 9.228 -12.258 1.00 0.00 O ATOM 68 CB ALA A 7 1.476 11.721 -13.376 1.00 0.00 C ATOM 69 H ALA A 7 0.019 11.601 -11.389 1.00 0.00 H ATOM 70 N ASN A 8 3.540 11.143 -11.079 1.00 0.00 N ATOM 71 CA ASN A 8 4.876 10.927 -10.496 1.00 0.00 C ATOM 72 C ASN A 8 5.020 9.645 -9.674 1.00 0.00 C ATOM 73 O ASN A 8 5.870 8.818 -10.008 1.00 0.00 O ATOM 74 CB ASN A 8 5.224 12.135 -9.613 1.00 0.00 C ATOM 75 CG ASN A 8 5.655 13.376 -10.381 1.00 0.00 C ATOM 76 OD1 ASN A 8 6.778 13.537 -10.840 1.00 0.00 O ATOM 77 ND2 ASN A 8 4.739 14.314 -10.526 1.00 0.00 N ATOM 78 H ASN A 8 3.132 12.008 -10.820 1.00 0.00 H ATOM 79 HD21 ASN A 8 3.811 14.165 -10.212 1.00 0.00 H ATOM 80 HD22 ASN A 8 5.056 15.179 -10.897 1.00 0.00 H ATOM 81 N ALA A 9 4.122 9.419 -8.724 1.00 0.00 N ATOM 82 CA ALA A 9 4.109 8.183 -7.924 1.00 0.00 C ATOM 83 C ALA A 9 4.047 6.898 -8.747 1.00 0.00 C ATOM 84 O ALA A 9 5.002 6.126 -8.747 1.00 0.00 O ATOM 85 CB ALA A 9 2.977 8.235 -6.884 1.00 0.00 C ATOM 86 H ALA A 9 3.437 10.099 -8.455 1.00 0.00 H ATOM 87 N PHE A 10 3.160 6.966 -9.740 1.00 0.00 N ATOM 88 CA PHE A 10 2.964 5.949 -10.788 1.00 0.00 C ATOM 89 C PHE A 10 4.281 5.590 -11.475 1.00 0.00 C ATOM 90 O PHE A 10 4.801 4.500 -11.288 1.00 0.00 O ATOM 91 CB PHE A 10 1.986 6.488 -11.828 1.00 0.00 C ATOM 92 CG PHE A 10 1.382 5.415 -12.741 1.00 0.00 C ATOM 93 CD1 PHE A 10 0.424 4.511 -12.231 1.00 0.00 C ATOM 94 CD2 PHE A 10 1.807 5.354 -14.084 1.00 0.00 C ATOM 95 CE1 PHE A 10 -0.117 3.523 -13.081 1.00 0.00 C ATOM 96 CE2 PHE A 10 1.269 4.373 -14.940 1.00 0.00 C ATOM 97 CZ PHE A 10 0.316 3.464 -14.418 1.00 0.00 C ATOM 98 H PHE A 10 2.573 7.770 -9.800 1.00 0.00 H ATOM 99 N ARG A 11 4.926 6.665 -11.881 1.00 0.00 N ATOM 100 CA ARG A 11 6.198 6.618 -12.620 1.00 0.00 C ATOM 101 C ARG A 11 7.414 6.132 -11.844 1.00 0.00 C ATOM 102 O ARG A 11 8.126 5.247 -12.316 1.00 0.00 O ATOM 103 CB ARG A 11 6.488 7.932 -13.371 1.00 0.00 C ATOM 104 CG ARG A 11 5.535 8.129 -14.560 1.00 0.00 C ATOM 105 CD ARG A 11 5.594 6.935 -15.516 1.00 0.00 C ATOM 106 NE ARG A 11 4.780 7.166 -16.715 1.00 0.00 N ATOM 107 CZ ARG A 11 5.242 7.169 -17.971 1.00 0.00 C ATOM 108 NH1 ARG A 11 6.534 7.026 -18.240 1.00 0.00 N ATOM 109 NH2 ARG A 11 4.401 7.161 -18.988 1.00 0.00 N ATOM 110 H ARG A 11 4.583 7.572 -11.635 1.00 0.00 H ATOM 111 HE ARG A 11 3.812 7.352 -16.567 1.00 0.00 H ATOM 112 HH11 ARG A 11 7.181 6.913 -17.490 1.00 0.00 H ATOM 113 HH12 ARG A 11 6.860 7.028 -19.182 1.00 0.00 H ATOM 114 HH21 ARG A 11 3.410 7.138 -18.824 1.00 0.00 H ATOM 115 HH22 ARG A 11 4.758 7.146 -19.915 1.00 0.00 H ATOM 116 N ILE A 12 7.426 6.489 -10.569 1.00 0.00 N ATOM 117 CA ILE A 12 8.464 6.067 -9.620 1.00 0.00 C ATOM 118 C ILE A 12 8.503 4.530 -9.455 1.00 0.00 C ATOM 119 O ILE A 12 9.548 3.886 -9.487 1.00 0.00 O ATOM 120 CB ILE A 12 8.408 6.810 -8.284 1.00 0.00 C ATOM 121 CG1 ILE A 12 8.660 8.316 -8.494 1.00 0.00 C ATOM 122 CG2 ILE A 12 9.400 6.288 -7.234 1.00 0.00 C ATOM 123 CD1 ILE A 12 8.092 9.208 -7.390 1.00 0.00 C ATOM 124 H ILE A 12 6.718 7.111 -10.219 1.00 0.00 H ATOM 125 N PHE A 13 7.296 3.992 -9.412 1.00 0.00 N ATOM 126 CA PHE A 13 6.962 2.569 -9.283 1.00 0.00 C ATOM 127 C PHE A 13 7.040 1.773 -10.601 1.00 0.00 C ATOM 128 O PHE A 13 7.418 0.604 -10.608 1.00 0.00 O ATOM 129 CB PHE A 13 5.558 2.549 -8.704 1.00 0.00 C ATOM 130 CG PHE A 13 5.449 3.034 -7.250 1.00 0.00 C ATOM 131 CD1 PHE A 13 6.444 2.731 -6.292 1.00 0.00 C ATOM 132 CD2 PHE A 13 4.388 3.910 -6.917 1.00 0.00 C ATOM 133 CE1 PHE A 13 6.409 3.333 -5.016 1.00 0.00 C ATOM 134 CE2 PHE A 13 4.344 4.525 -5.648 1.00 0.00 C ATOM 135 CZ PHE A 13 5.363 4.237 -4.709 1.00 0.00 C ATOM 136 H PHE A 13 6.503 4.601 -9.418 1.00 0.00 H ATOM 137 N ASP A 14 6.573 2.391 -11.684 1.00 0.00 N ATOM 138 CA ASP A 14 6.494 1.879 -13.067 1.00 0.00 C ATOM 139 C ASP A 14 7.849 1.899 -13.799 1.00 0.00 C ATOM 140 O ASP A 14 7.998 2.338 -14.950 1.00 0.00 O ATOM 141 CB ASP A 14 5.426 2.691 -13.820 1.00 0.00 C ATOM 142 CG ASP A 14 5.091 2.275 -15.257 1.00 0.00 C ATOM 143 OD1 ASP A 14 5.660 1.282 -15.782 1.00 0.00 O ATOM 144 OD2 ASP A 14 4.279 3.009 -15.859 1.00 0.00 O ATOM 145 H ASP A 14 6.144 3.277 -11.538 1.00 0.00 H ATOM 146 N LYS A 15 8.790 1.217 -13.163 1.00 0.00 N ATOM 147 CA LYS A 15 10.179 1.024 -13.650 1.00 0.00 C ATOM 148 C LYS A 15 10.262 0.432 -15.077 1.00 0.00 C ATOM 149 O LYS A 15 10.919 1.006 -15.945 1.00 0.00 O ATOM 150 CB LYS A 15 10.966 0.078 -12.742 1.00 0.00 C ATOM 151 CG LYS A 15 11.072 0.556 -11.302 1.00 0.00 C ATOM 152 CD LYS A 15 10.456 -0.519 -10.413 1.00 0.00 C ATOM 153 CE LYS A 15 11.151 -0.603 -9.060 1.00 0.00 C ATOM 154 NZ LYS A 15 12.528 -1.099 -9.236 1.00 0.00 N ATOM 155 H LYS A 15 8.587 0.913 -12.226 1.00 0.00 H ATOM 156 HZ1 LYS A 15 12.917 -1.295 -8.341 1.00 0.00 H ATOM 157 HZ2 LYS A 15 12.517 -1.934 -9.786 1.00 0.00 H ATOM 158 HZ3 LYS A 15 13.073 -0.383 -9.688 1.00 0.00 H ATOM 159 N ASN A 16 9.557 -0.668 -15.293 1.00 0.00 N ATOM 160 CA ASN A 16 9.552 -1.431 -16.559 1.00 0.00 C ATOM 161 C ASN A 16 8.830 -0.760 -17.755 1.00 0.00 C ATOM 162 O ASN A 16 8.340 -1.448 -18.647 1.00 0.00 O ATOM 163 CB ASN A 16 8.996 -2.825 -16.210 1.00 0.00 C ATOM 164 CG ASN A 16 7.602 -2.760 -15.581 1.00 0.00 C ATOM 165 OD1 ASN A 16 7.361 -3.073 -14.424 1.00 0.00 O ATOM 166 ND2 ASN A 16 6.697 -2.133 -16.285 1.00 0.00 N ATOM 167 H ASN A 16 9.026 -1.124 -14.572 1.00 0.00 H ATOM 168 HD21 ASN A 16 6.930 -1.809 -17.201 1.00 0.00 H ATOM 169 HD22 ASN A 16 5.839 -1.950 -15.813 1.00 0.00 H ATOM 170 N ALA A 17 8.465 0.521 -17.592 1.00 0.00 N ATOM 171 CA ALA A 17 8.028 1.458 -18.660 1.00 0.00 C ATOM 172 C ALA A 17 6.828 1.015 -19.511 1.00 0.00 C ATOM 173 O ALA A 17 6.632 1.449 -20.639 1.00 0.00 O ATOM 174 CB ALA A 17 9.252 1.844 -19.511 1.00 0.00 C ATOM 175 H ALA A 17 8.436 0.927 -16.677 1.00 0.00 H ATOM 176 N ASP A 18 5.877 0.389 -18.827 1.00 0.00 N ATOM 177 CA ASP A 18 4.678 -0.189 -19.477 1.00 0.00 C ATOM 178 C ASP A 18 3.394 0.645 -19.374 1.00 0.00 C ATOM 179 O ASP A 18 2.359 0.234 -19.897 1.00 0.00 O ATOM 180 CB ASP A 18 4.456 -1.623 -18.972 1.00 0.00 C ATOM 181 CG ASP A 18 4.028 -1.794 -17.516 1.00 0.00 C ATOM 182 OD1 ASP A 18 4.178 -0.813 -16.750 1.00 0.00 O ATOM 183 OD2 ASP A 18 3.675 -2.935 -17.146 1.00 0.00 O ATOM 184 H ASP A 18 5.966 0.251 -17.833 1.00 0.00 H ATOM 185 N GLY A 19 3.451 1.775 -18.656 1.00 0.00 N ATOM 186 CA GLY A 19 2.259 2.568 -18.296 1.00 0.00 C ATOM 187 C GLY A 19 1.310 1.823 -17.333 1.00 0.00 C ATOM 188 O GLY A 19 0.115 2.110 -17.279 1.00 0.00 O ATOM 189 H GLY A 19 4.327 2.195 -18.414 1.00 0.00 H ATOM 190 N TYR A 20 1.890 0.888 -16.573 1.00 0.00 N ATOM 191 CA TYR A 20 1.189 0.044 -15.579 1.00 0.00 C ATOM 192 C TYR A 20 2.069 -0.132 -14.331 1.00 0.00 C ATOM 193 O TYR A 20 3.153 0.453 -14.221 1.00 0.00 O ATOM 194 CB TYR A 20 0.932 -1.355 -16.147 1.00 0.00 C ATOM 195 CG TYR A 20 0.238 -1.429 -17.512 1.00 0.00 C ATOM 196 CD1 TYR A 20 -1.077 -0.939 -17.635 1.00 0.00 C ATOM 197 CD2 TYR A 20 0.880 -2.108 -18.567 1.00 0.00 C ATOM 198 CE1 TYR A 20 -1.771 -1.126 -18.855 1.00 0.00 C ATOM 199 CE2 TYR A 20 0.203 -2.294 -19.792 1.00 0.00 C ATOM 200 CZ TYR A 20 -1.112 -1.803 -19.915 1.00 0.00 C ATOM 201 OH TYR A 20 -1.794 -2.039 -21.071 1.00 0.00 O ATOM 202 H TYR A 20 2.865 0.698 -16.645 1.00 0.00 H ATOM 203 HH TYR A 20 -1.185 -2.503 -21.714 1.00 0.00 H ATOM 204 N ILE A 21 1.507 -0.819 -13.342 1.00 0.00 N ATOM 205 CA ILE A 21 2.221 -1.410 -12.190 1.00 0.00 C ATOM 206 C ILE A 21 1.915 -2.921 -12.110 1.00 0.00 C ATOM 207 O ILE A 21 0.764 -3.342 -12.222 1.00 0.00 O ATOM 208 CB ILE A 21 1.922 -0.614 -10.915 1.00 0.00 C ATOM 209 CG1 ILE A 21 2.987 0.462 -10.683 1.00 0.00 C ATOM 210 CG2 ILE A 21 1.741 -1.396 -9.600 1.00 0.00 C ATOM 211 CD1 ILE A 21 2.647 1.807 -11.328 1.00 0.00 C ATOM 212 H ILE A 21 0.507 -0.885 -13.308 1.00 0.00 H ATOM 213 N ASP A 22 2.967 -3.676 -11.788 1.00 0.00 N ATOM 214 CA ASP A 22 2.902 -5.137 -11.552 1.00 0.00 C ATOM 215 C ASP A 22 3.145 -5.509 -10.098 1.00 0.00 C ATOM 216 O ASP A 22 3.637 -4.698 -9.324 1.00 0.00 O ATOM 217 CB ASP A 22 3.848 -5.925 -12.462 1.00 0.00 C ATOM 218 CG ASP A 22 5.005 -5.159 -13.118 1.00 0.00 C ATOM 219 OD1 ASP A 22 6.060 -5.079 -12.438 1.00 0.00 O ATOM 220 OD2 ASP A 22 4.789 -4.625 -14.229 1.00 0.00 O ATOM 221 H ASP A 22 3.874 -3.292 -11.645 1.00 0.00 H ATOM 222 N ILE A 23 3.028 -6.801 -9.836 1.00 0.00 N ATOM 223 CA ILE A 23 3.077 -7.366 -8.461 1.00 0.00 C ATOM 224 C ILE A 23 4.234 -6.920 -7.537 1.00 0.00 C ATOM 225 O ILE A 23 3.980 -6.460 -6.439 1.00 0.00 O ATOM 226 CB ILE A 23 2.901 -8.909 -8.529 1.00 0.00 C ATOM 227 CG1 ILE A 23 2.656 -9.541 -7.151 1.00 0.00 C ATOM 228 CG2 ILE A 23 4.052 -9.619 -9.260 1.00 0.00 C ATOM 229 CD1 ILE A 23 1.266 -9.234 -6.607 1.00 0.00 C ATOM 230 H ILE A 23 2.845 -7.434 -10.594 1.00 0.00 H ATOM 231 N GLU A 24 5.459 -6.891 -8.065 1.00 0.00 N ATOM 232 CA GLU A 24 6.647 -6.425 -7.323 1.00 0.00 C ATOM 233 C GLU A 24 6.674 -4.927 -6.994 1.00 0.00 C ATOM 234 O GLU A 24 7.079 -4.473 -5.929 1.00 0.00 O ATOM 235 CB GLU A 24 7.988 -6.863 -7.971 1.00 0.00 C ATOM 236 CG GLU A 24 8.290 -6.336 -9.382 1.00 0.00 C ATOM 237 CD GLU A 24 7.674 -7.177 -10.505 1.00 0.00 C ATOM 238 OE1 GLU A 24 6.429 -7.145 -10.641 1.00 0.00 O ATOM 239 OE2 GLU A 24 8.464 -7.869 -11.181 1.00 0.00 O ATOM 240 H GLU A 24 5.625 -7.220 -8.994 1.00 0.00 H ATOM 241 N GLU A 25 6.215 -4.184 -7.984 1.00 0.00 N ATOM 242 CA GLU A 25 5.975 -2.735 -7.979 1.00 0.00 C ATOM 243 C GLU A 25 4.810 -2.354 -7.045 1.00 0.00 C ATOM 244 O GLU A 25 4.900 -1.389 -6.297 1.00 0.00 O ATOM 245 CB GLU A 25 5.658 -2.333 -9.411 1.00 0.00 C ATOM 246 CG GLU A 25 6.895 -2.474 -10.316 1.00 0.00 C ATOM 247 CD GLU A 25 6.566 -2.067 -11.748 1.00 0.00 C ATOM 248 OE1 GLU A 25 5.446 -2.439 -12.167 1.00 0.00 O ATOM 249 OE2 GLU A 25 7.416 -1.395 -12.376 1.00 0.00 O ATOM 250 H GLU A 25 6.058 -4.585 -8.871 1.00 0.00 H ATOM 251 N LEU A 26 3.734 -3.140 -7.099 1.00 0.00 N ATOM 252 CA LEU A 26 2.632 -3.083 -6.117 1.00 0.00 C ATOM 253 C LEU A 26 3.164 -3.386 -4.711 1.00 0.00 C ATOM 254 O LEU A 26 2.814 -2.682 -3.765 1.00 0.00 O ATOM 255 CB LEU A 26 1.511 -4.065 -6.482 1.00 0.00 C ATOM 256 CG LEU A 26 0.292 -3.783 -5.604 1.00 0.00 C ATOM 257 CD1 LEU A 26 -0.704 -2.887 -6.322 1.00 0.00 C ATOM 258 CD2 LEU A 26 -0.351 -5.100 -5.190 1.00 0.00 C ATOM 259 H LEU A 26 3.592 -3.771 -7.879 1.00 0.00 H ATOM 260 N GLY A 27 4.031 -4.393 -4.619 1.00 0.00 N ATOM 261 CA GLY A 27 4.871 -4.675 -3.443 1.00 0.00 C ATOM 262 C GLY A 27 5.572 -3.420 -2.924 1.00 0.00 C ATOM 263 O GLY A 27 5.330 -3.034 -1.789 1.00 0.00 O ATOM 264 H GLY A 27 4.029 -5.128 -5.307 1.00 0.00 H ATOM 265 N GLU A 28 6.255 -2.702 -3.813 1.00 0.00 N ATOM 266 CA GLU A 28 6.878 -1.400 -3.505 1.00 0.00 C ATOM 267 C GLU A 28 5.939 -0.273 -3.026 1.00 0.00 C ATOM 268 O GLU A 28 6.388 0.606 -2.296 1.00 0.00 O ATOM 269 CB GLU A 28 7.753 -0.913 -4.659 1.00 0.00 C ATOM 270 CG GLU A 28 9.080 -1.667 -4.669 1.00 0.00 C ATOM 271 CD GLU A 28 10.089 -1.153 -5.705 1.00 0.00 C ATOM 272 OE1 GLU A 28 9.991 0.030 -6.108 1.00 0.00 O ATOM 273 OE2 GLU A 28 10.986 -1.961 -6.039 1.00 0.00 O ATOM 274 H GLU A 28 6.514 -3.108 -4.695 1.00 0.00 H ATOM 275 N ILE A 29 4.691 -0.245 -3.510 1.00 0.00 N ATOM 276 CA ILE A 29 3.646 0.668 -2.989 1.00 0.00 C ATOM 277 C ILE A 29 3.136 0.173 -1.612 1.00 0.00 C ATOM 278 O ILE A 29 3.105 0.920 -0.648 1.00 0.00 O ATOM 279 CB ILE A 29 2.483 0.854 -3.946 1.00 0.00 C ATOM 280 CG1 ILE A 29 2.934 1.041 -5.402 1.00 0.00 C ATOM 281 CG2 ILE A 29 1.653 2.090 -3.556 1.00 0.00 C ATOM 282 CD1 ILE A 29 1.892 0.576 -6.407 1.00 0.00 C ATOM 283 H ILE A 29 4.459 -0.674 -4.391 1.00 0.00 H ATOM 284 N LEU A 30 2.655 -1.077 -1.583 1.00 0.00 N ATOM 285 CA LEU A 30 2.155 -1.739 -0.363 1.00 0.00 C ATOM 286 C LEU A 30 3.181 -1.978 0.757 1.00 0.00 C ATOM 287 O LEU A 30 2.875 -2.470 1.844 1.00 0.00 O ATOM 288 CB LEU A 30 1.338 -2.992 -0.694 1.00 0.00 C ATOM 289 CG LEU A 30 -0.113 -2.614 -0.996 1.00 0.00 C ATOM 290 CD1 LEU A 30 -0.835 -3.744 -1.721 1.00 0.00 C ATOM 291 CD2 LEU A 30 -0.867 -2.238 0.284 1.00 0.00 C ATOM 292 H LEU A 30 2.648 -1.655 -2.405 1.00 0.00 H ATOM 293 N ARG A 31 4.423 -1.760 0.378 1.00 0.00 N ATOM 294 CA ARG A 31 5.523 -1.344 1.268 1.00 0.00 C ATOM 295 C ARG A 31 5.101 -0.050 1.992 1.00 0.00 C ATOM 296 O ARG A 31 5.341 1.062 1.527 1.00 0.00 O ATOM 297 CB ARG A 31 6.804 -1.084 0.456 1.00 0.00 C ATOM 298 CG ARG A 31 7.660 -2.332 0.254 1.00 0.00 C ATOM 299 CD ARG A 31 8.473 -2.621 1.517 1.00 0.00 C ATOM 300 NE ARG A 31 8.762 -4.059 1.629 1.00 0.00 N ATOM 301 CZ ARG A 31 7.928 -4.989 2.099 1.00 0.00 C ATOM 302 NH1 ARG A 31 6.617 -4.755 2.236 1.00 0.00 N ATOM 303 NH2 ARG A 31 8.332 -6.236 2.212 1.00 0.00 N ATOM 304 H ARG A 31 4.698 -1.963 -0.561 1.00 0.00 H ATOM 305 HE ARG A 31 9.683 -4.342 1.350 1.00 0.00 H ATOM 306 HH11 ARG A 31 6.243 -3.885 1.926 1.00 0.00 H ATOM 307 HH12 ARG A 31 6.038 -5.425 2.687 1.00 0.00 H ATOM 308 HH21 ARG A 31 9.261 -6.494 1.965 1.00 0.00 H ATOM 309 HH22 ARG A 31 7.699 -6.921 2.570 1.00 0.00 H ATOM 310 N ALA A 32 4.529 -0.267 3.162 1.00 0.00 N ATOM 311 CA ALA A 32 4.194 0.790 4.118 1.00 0.00 C ATOM 312 C ALA A 32 5.420 1.185 4.962 1.00 0.00 C ATOM 313 O ALA A 32 5.389 1.465 6.163 1.00 0.00 O ATOM 314 CB ALA A 32 3.046 0.339 5.019 1.00 0.00 C ATOM 315 H ALA A 32 4.301 -1.186 3.479 1.00 0.00 H ATOM 316 N THR A 33 6.494 1.373 4.208 1.00 0.00 N ATOM 317 CA THR A 33 7.625 0.439 4.117 1.00 0.00 C ATOM 318 C THR A 33 7.744 -0.574 5.258 1.00 0.00 C ATOM 319 O THR A 33 8.146 -0.257 6.377 1.00 0.00 O ATOM 320 CB THR A 33 8.900 1.163 3.685 1.00 0.00 C ATOM 321 OG1 THR A 33 8.580 1.882 2.481 1.00 0.00 O ATOM 322 CG2 THR A 33 10.003 0.168 3.343 1.00 0.00 C ATOM 323 H THR A 33 6.479 2.088 3.510 1.00 0.00 H ATOM 324 HG1 THR A 33 8.201 1.258 1.796 1.00 0.00 H ATOM 325 N GLY A 34 7.292 -1.776 4.916 1.00 0.00 N ATOM 326 CA GLY A 34 6.922 -2.825 5.875 1.00 0.00 C ATOM 327 C GLY A 34 5.472 -2.585 6.332 1.00 0.00 C ATOM 328 O GLY A 34 4.525 -3.221 5.883 1.00 0.00 O ATOM 329 H GLY A 34 7.257 -2.072 3.959 1.00 0.00 H HETATM 330 N NH2 A 35 5.273 -1.535 7.089 1.00 0.00 N HETATM 331 HN1 NH2 A 35 6.044 -0.989 7.408 1.00 0.00 H HETATM 332 HN2 NH2 A 35 4.329 -1.294 7.326 1.00 0.00 H TER 333 NH2 A 35 HETATM 334 C ACE B 0 1.035 -14.062 4.806 1.00 0.00 C HETATM 335 O ACE B 0 0.044 -13.795 4.155 1.00 0.00 O HETATM 336 CH3 ACE B 0 1.018 -14.918 6.071 1.00 0.00 C ATOM 337 N LYS B 1 2.175 -13.547 4.421 1.00 0.00 N ATOM 338 CA LYS B 1 2.729 -13.689 3.061 1.00 0.00 C ATOM 339 C LYS B 1 3.555 -14.940 2.731 1.00 0.00 C ATOM 340 O LYS B 1 3.483 -15.943 3.434 1.00 0.00 O ATOM 341 CB LYS B 1 3.279 -12.330 2.593 1.00 0.00 C ATOM 342 CG LYS B 1 2.288 -11.822 1.544 1.00 0.00 C ATOM 343 CD LYS B 1 2.815 -10.605 0.789 1.00 0.00 C ATOM 344 CE LYS B 1 2.643 -9.312 1.585 1.00 0.00 C ATOM 345 NZ LYS B 1 3.380 -8.260 0.878 1.00 0.00 N ATOM 346 H LYS B 1 1.148 -13.661 4.436 1.00 0.00 H ATOM 347 HZ1 LYS B 1 3.142 -7.369 1.274 1.00 0.00 H ATOM 348 HZ2 LYS B 1 4.363 -8.404 0.969 1.00 0.00 H ATOM 349 HZ3 LYS B 1 3.120 -8.259 -0.090 1.00 0.00 H ATOM 350 N SER B 2 4.503 -14.755 1.810 1.00 0.00 N ATOM 351 CA SER B 2 4.690 -15.565 0.585 1.00 0.00 C ATOM 352 C SER B 2 3.540 -15.303 -0.409 1.00 0.00 C ATOM 353 O SER B 2 2.562 -16.041 -0.452 1.00 0.00 O ATOM 354 CB SER B 2 4.857 -17.080 0.828 1.00 0.00 C ATOM 355 OG SER B 2 5.226 -17.694 -0.418 1.00 0.00 O ATOM 356 H SER B 2 5.218 -14.081 1.985 1.00 0.00 H ATOM 357 HG SER B 2 4.503 -17.545 -1.093 1.00 0.00 H ATOM 358 N GLU B 3 3.573 -14.065 -0.883 1.00 0.00 N ATOM 359 CA GLU B 3 2.798 -13.447 -1.994 1.00 0.00 C ATOM 360 C GLU B 3 1.263 -13.480 -2.046 1.00 0.00 C ATOM 361 O GLU B 3 0.663 -12.540 -2.545 1.00 0.00 O ATOM 362 CB GLU B 3 3.402 -13.814 -3.362 1.00 0.00 C ATOM 363 CG GLU B 3 4.741 -13.109 -3.639 1.00 0.00 C ATOM 364 CD GLU B 3 5.861 -13.573 -2.706 1.00 0.00 C ATOM 365 OE1 GLU B 3 6.374 -14.689 -2.940 1.00 0.00 O ATOM 366 OE2 GLU B 3 6.113 -12.863 -1.704 1.00 0.00 O ATOM 367 H GLU B 3 4.251 -13.435 -0.496 1.00 0.00 H ATOM 368 N GLU B 4 0.643 -14.467 -1.393 1.00 0.00 N ATOM 369 CA GLU B 4 -0.810 -14.705 -1.368 1.00 0.00 C ATOM 370 C GLU B 4 -1.637 -13.452 -1.020 1.00 0.00 C ATOM 371 O GLU B 4 -2.441 -13.006 -1.847 1.00 0.00 O ATOM 372 CB GLU B 4 -1.053 -15.868 -0.398 1.00 0.00 C ATOM 373 CG GLU B 4 -2.424 -16.516 -0.547 1.00 0.00 C ATOM 374 CD GLU B 4 -2.406 -18.013 -0.195 1.00 0.00 C ATOM 375 OE1 GLU B 4 -1.682 -18.389 0.755 1.00 0.00 O ATOM 376 OE2 GLU B 4 -3.113 -18.753 -0.902 1.00 0.00 O ATOM 377 H GLU B 4 1.188 -15.191 -0.959 1.00 0.00 H ATOM 378 N GLU B 5 -1.344 -12.816 0.113 1.00 0.00 N ATOM 379 CA GLU B 5 -1.981 -11.543 0.524 1.00 0.00 C ATOM 380 C GLU B 5 -1.892 -10.452 -0.560 1.00 0.00 C ATOM 381 O GLU B 5 -2.914 -9.938 -1.012 1.00 0.00 O ATOM 382 CB GLU B 5 -1.362 -11.033 1.828 1.00 0.00 C ATOM 383 CG GLU B 5 -2.415 -10.774 2.912 1.00 0.00 C ATOM 384 CD GLU B 5 -2.791 -12.053 3.669 1.00 0.00 C ATOM 385 OE1 GLU B 5 -3.602 -12.822 3.123 1.00 0.00 O ATOM 386 OE2 GLU B 5 -2.216 -12.229 4.766 1.00 0.00 O ATOM 387 H GLU B 5 -0.760 -13.242 0.807 1.00 0.00 H ATOM 388 N LEU B 6 -0.677 -10.214 -1.059 1.00 0.00 N ATOM 389 CA LEU B 6 -0.416 -9.238 -2.124 1.00 0.00 C ATOM 390 C LEU B 6 -1.119 -9.539 -3.453 1.00 0.00 C ATOM 391 O LEU B 6 -1.707 -8.643 -4.041 1.00 0.00 O ATOM 392 CB LEU B 6 1.094 -9.138 -2.341 1.00 0.00 C ATOM 393 CG LEU B 6 1.495 -7.731 -2.808 1.00 0.00 C ATOM 394 CD1 LEU B 6 1.504 -6.763 -1.633 1.00 0.00 C ATOM 395 CD2 LEU B 6 2.893 -7.799 -3.407 1.00 0.00 C ATOM 396 H LEU B 6 0.147 -10.629 -0.688 1.00 0.00 H ATOM 397 N ALA B 7 -1.099 -10.806 -3.869 1.00 0.00 N ATOM 398 CA ALA B 7 -1.817 -11.305 -5.045 1.00 0.00 C ATOM 399 C ALA B 7 -3.322 -10.953 -5.015 1.00 0.00 C ATOM 400 O ALA B 7 -3.826 -10.338 -5.947 1.00 0.00 O ATOM 401 CB ALA B 7 -1.644 -12.825 -5.178 1.00 0.00 C ATOM 402 H ALA B 7 -0.504 -11.491 -3.461 1.00 0.00 H ATOM 403 N ASN B 8 -3.942 -11.178 -3.863 1.00 0.00 N ATOM 404 CA ASN B 8 -5.336 -10.773 -3.590 1.00 0.00 C ATOM 405 C ASN B 8 -5.554 -9.259 -3.597 1.00 0.00 C ATOM 406 O ASN B 8 -6.410 -8.773 -4.331 1.00 0.00 O ATOM 407 CB ASN B 8 -5.754 -11.385 -2.256 1.00 0.00 C ATOM 408 CG ASN B 8 -6.078 -12.883 -2.357 1.00 0.00 C ATOM 409 OD1 ASN B 8 -7.192 -13.304 -2.637 1.00 0.00 O ATOM 410 ND2 ASN B 8 -5.101 -13.720 -2.134 1.00 0.00 N ATOM 411 H ASN B 8 -3.546 -11.704 -3.112 1.00 0.00 H ATOM 412 HD21 ASN B 8 -4.172 -13.398 -1.920 1.00 0.00 H ATOM 413 HD22 ASN B 8 -5.339 -14.684 -2.214 1.00 0.00 H ATOM 414 N ALA B 9 -4.673 -8.518 -2.918 1.00 0.00 N ATOM 415 CA ALA B 9 -4.702 -7.037 -2.950 1.00 0.00 C ATOM 416 C ALA B 9 -4.595 -6.423 -4.359 1.00 0.00 C ATOM 417 O ALA B 9 -5.509 -5.732 -4.798 1.00 0.00 O ATOM 418 CB ALA B 9 -3.623 -6.483 -2.017 1.00 0.00 C ATOM 419 H ALA B 9 -4.023 -8.907 -2.272 1.00 0.00 H ATOM 420 N PHE B 10 -3.671 -7.002 -5.107 1.00 0.00 N ATOM 421 CA PHE B 10 -3.419 -6.733 -6.538 1.00 0.00 C ATOM 422 C PHE B 10 -4.699 -6.860 -7.361 1.00 0.00 C ATOM 423 O PHE B 10 -5.223 -5.866 -7.841 1.00 0.00 O ATOM 424 CB PHE B 10 -2.381 -7.733 -7.062 1.00 0.00 C ATOM 425 CG PHE B 10 -1.710 -7.373 -8.401 1.00 0.00 C ATOM 426 CD1 PHE B 10 -1.266 -6.062 -8.682 1.00 0.00 C ATOM 427 CD2 PHE B 10 -1.491 -8.425 -9.321 1.00 0.00 C ATOM 428 CE1 PHE B 10 -0.604 -5.791 -9.901 1.00 0.00 C ATOM 429 CE2 PHE B 10 -0.820 -8.166 -10.532 1.00 0.00 C ATOM 430 CZ PHE B 10 -0.389 -6.849 -10.814 1.00 0.00 C ATOM 431 H PHE B 10 -3.055 -7.669 -4.682 1.00 0.00 H ATOM 432 N ARG B 11 -5.334 -7.993 -7.106 1.00 0.00 N ATOM 433 CA ARG B 11 -6.588 -8.411 -7.740 1.00 0.00 C ATOM 434 C ARG B 11 -7.792 -7.521 -7.472 1.00 0.00 C ATOM 435 O ARG B 11 -8.399 -7.017 -8.408 1.00 0.00 O ATOM 436 CB ARG B 11 -6.897 -9.879 -7.397 1.00 0.00 C ATOM 437 CG ARG B 11 -6.224 -10.812 -8.394 1.00 0.00 C ATOM 438 CD ARG B 11 -7.010 -10.770 -9.717 1.00 0.00 C ATOM 439 NE ARG B 11 -6.145 -11.098 -10.853 1.00 0.00 N ATOM 440 CZ ARG B 11 -6.533 -11.130 -12.130 1.00 0.00 C ATOM 441 NH1 ARG B 11 -7.803 -10.933 -12.494 1.00 0.00 N ATOM 442 NH2 ARG B 11 -5.636 -11.157 -13.100 1.00 0.00 N ATOM 443 H ARG B 11 -4.980 -8.584 -6.385 1.00 0.00 H ATOM 444 HE ARG B 11 -5.202 -11.324 -10.638 1.00 0.00 H ATOM 445 HH11 ARG B 11 -8.477 -10.746 -11.777 1.00 0.00 H ATOM 446 HH12 ARG B 11 -8.067 -10.973 -13.446 1.00 0.00 H ATOM 447 HH21 ARG B 11 -4.661 -11.137 -12.887 1.00 0.00 H ATOM 448 HH22 ARG B 11 -5.941 -11.201 -14.048 1.00 0.00 H ATOM 449 N ILE B 12 -7.853 -7.089 -6.219 1.00 0.00 N ATOM 450 CA ILE B 12 -8.900 -6.187 -5.726 1.00 0.00 C ATOM 451 C ILE B 12 -8.877 -4.802 -6.425 1.00 0.00 C ATOM 452 O ILE B 12 -9.899 -4.237 -6.807 1.00 0.00 O ATOM 453 CB ILE B 12 -8.960 -6.089 -4.204 1.00 0.00 C ATOM 454 CG1 ILE B 12 -9.268 -7.471 -3.597 1.00 0.00 C ATOM 455 CG2 ILE B 12 -9.983 -5.072 -3.670 1.00 0.00 C ATOM 456 CD1 ILE B 12 -8.792 -7.646 -2.149 1.00 0.00 C ATOM 457 H ILE B 12 -7.197 -7.424 -5.544 1.00 0.00 H ATOM 458 N PHE B 13 -7.650 -4.335 -6.610 1.00 0.00 N ATOM 459 CA PHE B 13 -7.284 -3.084 -7.294 1.00 0.00 C ATOM 460 C PHE B 13 -7.347 -3.183 -8.837 1.00 0.00 C ATOM 461 O PHE B 13 -7.661 -2.212 -9.522 1.00 0.00 O ATOM 462 CB PHE B 13 -5.866 -2.783 -6.834 1.00 0.00 C ATOM 463 CG PHE B 13 -5.730 -2.368 -5.351 1.00 0.00 C ATOM 464 CD1 PHE B 13 -6.714 -1.591 -4.691 1.00 0.00 C ATOM 465 CD2 PHE B 13 -4.606 -2.850 -4.637 1.00 0.00 C ATOM 466 CE1 PHE B 13 -6.586 -1.304 -3.317 1.00 0.00 C ATOM 467 CE2 PHE B 13 -4.469 -2.575 -3.256 1.00 0.00 C ATOM 468 CZ PHE B 13 -5.464 -1.808 -2.612 1.00 0.00 C ATOM 469 H PHE B 13 -6.885 -4.847 -6.220 1.00 0.00 H ATOM 470 N ASP B 14 -6.909 -4.331 -9.350 1.00 0.00 N ATOM 471 CA ASP B 14 -6.878 -4.756 -10.767 1.00 0.00 C ATOM 472 C ASP B 14 -8.288 -5.121 -11.291 1.00 0.00 C ATOM 473 O ASP B 14 -8.517 -6.152 -11.921 1.00 0.00 O ATOM 474 CB ASP B 14 -5.889 -5.930 -10.879 1.00 0.00 C ATOM 475 CG ASP B 14 -5.620 -6.499 -12.273 1.00 0.00 C ATOM 476 OD1 ASP B 14 -6.160 -5.996 -13.282 1.00 0.00 O ATOM 477 OD2 ASP B 14 -4.873 -7.504 -12.307 1.00 0.00 O ATOM 478 H ASP B 14 -6.461 -4.972 -8.725 1.00 0.00 H ATOM 479 N LYS B 15 -9.142 -4.129 -11.143 1.00 0.00 N ATOM 480 CA LYS B 15 -10.560 -4.105 -11.568 1.00 0.00 C ATOM 481 C LYS B 15 -10.750 -4.601 -13.027 1.00 0.00 C ATOM 482 O LYS B 15 -11.545 -5.505 -13.256 1.00 0.00 O ATOM 483 CB LYS B 15 -11.127 -2.703 -11.419 1.00 0.00 C ATOM 484 CG LYS B 15 -11.086 -2.279 -9.947 1.00 0.00 C ATOM 485 CD LYS B 15 -11.308 -0.778 -9.877 1.00 0.00 C ATOM 486 CE LYS B 15 -10.853 -0.209 -8.538 1.00 0.00 C ATOM 487 NZ LYS B 15 -11.791 -0.554 -7.455 1.00 0.00 N ATOM 488 H LYS B 15 -8.839 -3.336 -10.601 1.00 0.00 H ATOM 489 HZ1 LYS B 15 -12.215 0.290 -7.119 1.00 0.00 H ATOM 490 HZ2 LYS B 15 -12.506 -1.154 -7.800 1.00 0.00 H ATOM 491 HZ3 LYS B 15 -11.293 -0.991 -6.710 1.00 0.00 H ATOM 492 N ASN B 16 -9.973 -4.050 -13.964 1.00 0.00 N ATOM 493 CA ASN B 16 -10.040 -4.436 -15.378 1.00 0.00 C ATOM 494 C ASN B 16 -9.256 -5.694 -15.802 1.00 0.00 C ATOM 495 O ASN B 16 -8.887 -5.848 -16.963 1.00 0.00 O ATOM 496 CB ASN B 16 -9.711 -3.193 -16.231 1.00 0.00 C ATOM 497 CG ASN B 16 -8.360 -2.533 -15.956 1.00 0.00 C ATOM 498 OD1 ASN B 16 -8.136 -1.916 -14.928 1.00 0.00 O ATOM 499 ND2 ASN B 16 -7.483 -2.556 -16.933 1.00 0.00 N ATOM 500 H ASN B 16 -9.404 -3.237 -13.816 1.00 0.00 H ATOM 501 HD21 ASN B 16 -7.707 -2.984 -17.808 1.00 0.00 H ATOM 502 HD22 ASN B 16 -6.609 -2.089 -16.783 1.00 0.00 H ATOM 503 N ALA B 17 -8.899 -6.526 -14.805 1.00 0.00 N ATOM 504 CA ALA B 17 -8.444 -7.929 -14.924 1.00 0.00 C ATOM 505 C ALA B 17 -7.275 -8.219 -15.885 1.00 0.00 C ATOM 506 O ALA B 17 -6.935 -9.364 -16.151 1.00 0.00 O ATOM 507 CB ALA B 17 -9.652 -8.834 -15.225 1.00 0.00 C ATOM 508 H ALA B 17 -8.845 -6.174 -13.871 1.00 0.00 H ATOM 509 N ASP B 18 -6.439 -7.188 -16.029 1.00 0.00 N ATOM 510 CA ASP B 18 -5.311 -7.182 -16.994 1.00 0.00 C ATOM 511 C ASP B 18 -3.974 -7.701 -16.437 1.00 0.00 C ATOM 512 O ASP B 18 -2.958 -7.635 -17.133 1.00 0.00 O ATOM 513 CB ASP B 18 -5.170 -5.774 -17.586 1.00 0.00 C ATOM 514 CG ASP B 18 -4.782 -4.652 -16.617 1.00 0.00 C ATOM 515 OD1 ASP B 18 -4.707 -4.939 -15.399 1.00 0.00 O ATOM 516 OD2 ASP B 18 -4.582 -3.512 -17.104 1.00 0.00 O ATOM 517 H ASP B 18 -6.558 -6.378 -15.451 1.00 0.00 H ATOM 518 N GLY B 19 -3.979 -8.164 -15.185 1.00 0.00 N ATOM 519 CA GLY B 19 -2.766 -8.539 -14.432 1.00 0.00 C ATOM 520 C GLY B 19 -1.853 -7.334 -14.116 1.00 0.00 C ATOM 521 O GLY B 19 -0.665 -7.510 -13.868 1.00 0.00 O ATOM 522 H GLY B 19 -4.843 -8.333 -14.716 1.00 0.00 H ATOM 523 N TYR B 20 -2.443 -6.138 -14.120 1.00 0.00 N ATOM 524 CA TYR B 20 -1.763 -4.858 -13.866 1.00 0.00 C ATOM 525 C TYR B 20 -2.646 -3.909 -13.046 1.00 0.00 C ATOM 526 O TYR B 20 -3.774 -4.238 -12.674 1.00 0.00 O ATOM 527 CB TYR B 20 -1.507 -4.118 -15.185 1.00 0.00 C ATOM 528 CG TYR B 20 -0.958 -4.928 -16.368 1.00 0.00 C ATOM 529 CD1 TYR B 20 0.311 -5.560 -16.249 1.00 0.00 C ATOM 530 CD2 TYR B 20 -1.627 -4.886 -17.611 1.00 0.00 C ATOM 531 CE1 TYR B 20 0.889 -6.166 -17.372 1.00 0.00 C ATOM 532 CE2 TYR B 20 -1.056 -5.494 -18.740 1.00 0.00 C ATOM 533 CZ TYR B 20 0.205 -6.126 -18.609 1.00 0.00 C ATOM 534 OH TYR B 20 0.777 -6.687 -19.702 1.00 0.00 O ATOM 535 H TYR B 20 -3.410 -6.026 -14.376 1.00 0.00 H ATOM 536 HH TYR B 20 1.628 -7.131 -19.427 1.00 0.00 H ATOM 537 N ILE B 21 -2.028 -2.810 -12.630 1.00 0.00 N ATOM 538 CA ILE B 21 -2.699 -1.583 -12.146 1.00 0.00 C ATOM 539 C ILE B 21 -2.399 -0.391 -13.100 1.00 0.00 C ATOM 540 O ILE B 21 -1.266 -0.203 -13.526 1.00 0.00 O ATOM 541 CB ILE B 21 -2.342 -1.340 -10.678 1.00 0.00 C ATOM 542 CG1 ILE B 21 -3.440 -1.847 -9.745 1.00 0.00 C ATOM 543 CG2 ILE B 21 -1.971 0.098 -10.255 1.00 0.00 C ATOM 544 CD1 ILE B 21 -3.379 -3.361 -9.529 1.00 0.00 C ATOM 545 H ILE B 21 -1.037 -2.842 -12.509 1.00 0.00 H ATOM 546 N ASP B 22 -3.420 0.436 -13.312 1.00 0.00 N ATOM 547 CA ASP B 22 -3.328 1.724 -14.045 1.00 0.00 C ATOM 548 C ASP B 22 -3.584 2.932 -13.166 1.00 0.00 C ATOM 549 O ASP B 22 -4.091 2.815 -12.057 1.00 0.00 O ATOM 550 CB ASP B 22 -4.229 1.750 -15.277 1.00 0.00 C ATOM 551 CG ASP B 22 -5.392 0.746 -15.345 1.00 0.00 C ATOM 552 OD1 ASP B 22 -6.436 1.109 -14.754 1.00 0.00 O ATOM 553 OD2 ASP B 22 -5.227 -0.321 -15.969 1.00 0.00 O ATOM 554 H ASP B 22 -4.342 0.233 -12.975 1.00 0.00 H ATOM 555 N ILE B 23 -3.448 4.093 -13.791 1.00 0.00 N ATOM 556 CA ILE B 23 -3.472 5.403 -13.113 1.00 0.00 C ATOM 557 C ILE B 23 -4.603 5.682 -12.097 1.00 0.00 C ATOM 558 O ILE B 23 -4.297 6.012 -10.953 1.00 0.00 O ATOM 559 CB ILE B 23 -3.269 6.532 -14.156 1.00 0.00 C ATOM 560 CG1 ILE B 23 -2.935 7.891 -13.510 1.00 0.00 C ATOM 561 CG2 ILE B 23 -4.435 6.673 -15.131 1.00 0.00 C ATOM 562 CD1 ILE B 23 -1.516 7.933 -12.935 1.00 0.00 C ATOM 563 H ILE B 23 -3.238 4.085 -14.776 1.00 0.00 H ATOM 564 N GLU B 24 -5.849 5.354 -12.444 1.00 0.00 N ATOM 565 CA GLU B 24 -6.970 5.519 -11.497 1.00 0.00 C ATOM 566 C GLU B 24 -7.077 4.503 -10.358 1.00 0.00 C ATOM 567 O GLU B 24 -7.430 4.813 -9.224 1.00 0.00 O ATOM 568 CB GLU B 24 -8.362 5.763 -12.096 1.00 0.00 C ATOM 569 CG GLU B 24 -8.823 4.805 -13.196 1.00 0.00 C ATOM 570 CD GLU B 24 -8.512 5.395 -14.566 1.00 0.00 C ATOM 571 OE1 GLU B 24 -7.380 5.134 -15.032 1.00 0.00 O ATOM 572 OE2 GLU B 24 -9.387 6.123 -15.100 1.00 0.00 O ATOM 573 H GLU B 24 -6.050 4.989 -13.348 1.00 0.00 H ATOM 574 N GLU B 25 -6.733 3.276 -10.726 1.00 0.00 N ATOM 575 CA GLU B 25 -6.492 2.141 -9.834 1.00 0.00 C ATOM 576 C GLU B 25 -5.345 2.437 -8.843 1.00 0.00 C ATOM 577 O GLU B 25 -5.493 2.203 -7.644 1.00 0.00 O ATOM 578 CB GLU B 25 -6.151 0.937 -10.693 1.00 0.00 C ATOM 579 CG GLU B 25 -7.365 0.410 -11.453 1.00 0.00 C ATOM 580 CD GLU B 25 -7.016 -0.837 -12.260 1.00 0.00 C ATOM 581 OE1 GLU B 25 -5.919 -0.817 -12.868 1.00 0.00 O ATOM 582 OE2 GLU B 25 -7.839 -1.776 -12.259 1.00 0.00 O ATOM 583 H GLU B 25 -6.714 3.050 -11.688 1.00 0.00 H ATOM 584 N LEU B 26 -4.264 3.038 -9.356 1.00 0.00 N ATOM 585 CA LEU B 26 -3.171 3.568 -8.519 1.00 0.00 C ATOM 586 C LEU B 26 -3.669 4.690 -7.599 1.00 0.00 C ATOM 587 O LEU B 26 -3.329 4.700 -6.420 1.00 0.00 O ATOM 588 CB LEU B 26 -2.008 4.061 -9.384 1.00 0.00 C ATOM 589 CG LEU B 26 -0.795 4.297 -8.482 1.00 0.00 C ATOM 590 CD1 LEU B 26 0.235 3.172 -8.644 1.00 0.00 C ATOM 591 CD2 LEU B 26 -0.168 5.657 -8.750 1.00 0.00 C ATOM 592 H LEU B 26 -4.107 3.067 -10.347 1.00 0.00 H ATOM 593 N GLY B 27 -4.493 5.587 -8.143 1.00 0.00 N ATOM 594 CA GLY B 27 -5.291 6.561 -7.376 1.00 0.00 C ATOM 595 C GLY B 27 -6.004 5.901 -6.192 1.00 0.00 C ATOM 596 O GLY B 27 -5.708 6.209 -5.047 1.00 0.00 O ATOM 597 H GLY B 27 -4.486 5.750 -9.137 1.00 0.00 H ATOM 598 N GLU B 28 -6.753 4.844 -6.496 1.00 0.00 N ATOM 599 CA GLU B 28 -7.468 4.019 -5.504 1.00 0.00 C ATOM 600 C GLU B 28 -6.592 3.321 -4.439 1.00 0.00 C ATOM 601 O GLU B 28 -7.055 3.131 -3.320 1.00 0.00 O ATOM 602 CB GLU B 28 -8.427 3.060 -6.209 1.00 0.00 C ATOM 603 CG GLU B 28 -9.584 3.898 -6.764 1.00 0.00 C ATOM 604 CD GLU B 28 -10.480 3.138 -7.738 1.00 0.00 C ATOM 605 OE1 GLU B 28 -10.081 3.063 -8.924 1.00 0.00 O ATOM 606 OE2 GLU B 28 -11.571 2.714 -7.291 1.00 0.00 O ATOM 607 H GLU B 28 -6.970 4.643 -7.452 1.00 0.00 H ATOM 608 N ILE B 29 -5.350 2.963 -4.791 1.00 0.00 N ATOM 609 CA ILE B 29 -4.330 2.507 -3.811 1.00 0.00 C ATOM 610 C ILE B 29 -3.829 3.718 -2.981 1.00 0.00 C ATOM 611 O ILE B 29 -4.040 3.766 -1.768 1.00 0.00 O ATOM 612 CB ILE B 29 -3.189 1.754 -4.468 1.00 0.00 C ATOM 613 CG1 ILE B 29 -3.703 0.652 -5.409 1.00 0.00 C ATOM 614 CG2 ILE B 29 -2.263 1.095 -3.428 1.00 0.00 C ATOM 615 CD1 ILE B 29 -2.732 0.369 -6.563 1.00 0.00 C ATOM 616 H ILE B 29 -5.108 2.804 -5.748 1.00 0.00 H ATOM 617 N LEU B 30 -3.252 4.690 -3.674 1.00 0.00 N ATOM 618 CA LEU B 30 -2.642 5.894 -3.072 1.00 0.00 C ATOM 619 C LEU B 30 -3.588 6.876 -2.345 1.00 0.00 C ATOM 620 O LEU B 30 -3.120 7.788 -1.665 1.00 0.00 O ATOM 621 CB LEU B 30 -1.742 6.646 -4.055 1.00 0.00 C ATOM 622 CG LEU B 30 -0.298 6.190 -3.809 1.00 0.00 C ATOM 623 CD1 LEU B 30 0.225 5.345 -4.966 1.00 0.00 C ATOM 624 CD2 LEU B 30 0.603 7.417 -3.600 1.00 0.00 C ATOM 625 H LEU B 30 -3.231 4.688 -4.678 1.00 0.00 H ATOM 626 N ARG B 31 -4.889 6.579 -2.425 1.00 0.00 N ATOM 627 CA ARG B 31 -5.989 7.244 -1.699 1.00 0.00 C ATOM 628 C ARG B 31 -5.658 7.605 -0.244 1.00 0.00 C ATOM 629 O ARG B 31 -5.422 8.767 0.076 1.00 0.00 O ATOM 630 CB ARG B 31 -7.227 6.321 -1.738 1.00 0.00 C ATOM 631 CG ARG B 31 -8.166 6.533 -2.933 1.00 0.00 C ATOM 632 CD ARG B 31 -9.343 7.470 -2.646 1.00 0.00 C ATOM 633 NE ARG B 31 -8.890 8.864 -2.506 1.00 0.00 N ATOM 634 CZ ARG B 31 -8.584 9.495 -1.371 1.00 0.00 C ATOM 635 NH1 ARG B 31 -8.808 8.945 -0.176 1.00 0.00 N ATOM 636 NH2 ARG B 31 -7.653 10.426 -1.413 1.00 0.00 N ATOM 637 H ARG B 31 -5.204 5.984 -3.168 1.00 0.00 H ATOM 638 HE ARG B 31 -8.831 9.385 -3.355 1.00 0.00 H ATOM 639 HH11 ARG B 31 -9.216 8.041 -0.129 1.00 0.00 H ATOM 640 HH12 ARG B 31 -8.545 9.436 0.647 1.00 0.00 H ATOM 641 HH21 ARG B 31 -7.223 10.675 -2.284 1.00 0.00 H ATOM 642 HH22 ARG B 31 -7.258 10.762 -0.558 1.00 0.00 H ATOM 643 N ALA B 32 -5.475 6.571 0.582 1.00 0.00 N ATOM 644 CA ALA B 32 -5.191 6.731 2.016 1.00 0.00 C ATOM 645 C ALA B 32 -3.894 7.492 2.354 1.00 0.00 C ATOM 646 O ALA B 32 -3.873 8.356 3.221 1.00 0.00 O ATOM 647 CB ALA B 32 -5.177 5.356 2.698 1.00 0.00 C ATOM 648 H ALA B 32 -5.596 5.636 0.271 1.00 0.00 H ATOM 649 N THR B 33 -2.929 7.318 1.466 1.00 0.00 N ATOM 650 CA THR B 33 -1.576 7.891 1.541 1.00 0.00 C ATOM 651 C THR B 33 -1.458 9.267 0.869 1.00 0.00 C ATOM 652 O THR B 33 -0.610 9.483 0.005 1.00 0.00 O ATOM 653 CB THR B 33 -0.604 6.881 0.923 1.00 0.00 C ATOM 654 OG1 THR B 33 -1.114 6.416 -0.336 1.00 0.00 O ATOM 655 CG2 THR B 33 -0.307 5.708 1.866 1.00 0.00 C ATOM 656 H THR B 33 -3.076 6.788 0.634 1.00 0.00 H ATOM 657 HG1 THR B 33 -1.332 7.224 -0.907 1.00 0.00 H ATOM 658 N GLY B 34 -2.415 10.133 1.201 1.00 0.00 N ATOM 659 CA GLY B 34 -2.436 11.576 0.883 1.00 0.00 C ATOM 660 C GLY B 34 -2.263 11.938 -0.601 1.00 0.00 C ATOM 661 O GLY B 34 -3.100 11.669 -1.457 1.00 0.00 O ATOM 662 H GLY B 34 -3.244 9.796 1.666 1.00 0.00 H HETATM 663 N NH2 B 35 -1.326 12.824 -0.860 1.00 0.00 N HETATM 664 HN1 NH2 B 35 -1.352 13.267 -1.745 1.00 0.00 H HETATM 665 HN2 NH2 B 35 -0.551 12.926 -0.233 1.00 0.00 H TER 666 NH2 B 35 HETATM 667 CA CA A 69 5.447 -0.987 -14.303 1.00 0.00 CA HETATM 668 CA CA B 70 -6.122 -3.320 -13.769 1.00 0.00 CA CONECT 1 2 3 4 13 CONECT 2 1 CONECT 3 1 CONECT 4 1 CONECT 13 1 CONECT 143 667 CONECT 165 667 CONECT 166 667 CONECT 182 667 CONECT 193 667 CONECT 248 667 CONECT 249 667 CONECT 327 330 CONECT 330 327 331 332 CONECT 331 330 CONECT 332 330 CONECT 334 335 336 337 CONECT 335 334 346 CONECT 336 334 CONECT 337 334 CONECT 346 335 CONECT 476 668 CONECT 498 668 CONECT 515 668 CONECT 526 668 CONECT 581 668 CONECT 582 668 CONECT 660 663 CONECT 663 660 664 665 CONECT 664 663 CONECT 665 663 CONECT 667 143 165 166 182 CONECT 667 193 248 249 CONECT 668 476 498 515 526 CONECT 668 581 582 MASTER 153 0 6 4 0 0 4 6 666 2 35 6 END