HEADER GROWTH FACTOR 24-MAR-92 1EPI TITLE THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURES OF TITLE 2 MOUSE EPIDERMAL GROWTH FACTOR IN ACIDIC AND PHYSIOLOGICAL TITLE 3 PH SOLUTIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090 KEYWDS GROWTH FACTOR EXPDTA SOLUTION NMR AUTHOR D.KOHDA,F.INAGAKI REVDAT 2 24-FEB-09 1EPI 1 VERSN REVDAT 1 31-JAN-94 1EPI 0 JRNL AUTH D.KOHDA,F.INAGAKI JRNL TITL THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE JRNL TITL 2 STRUCTURES OF MOUSE EPIDERMAL GROWTH FACTOR IN JRNL TITL 3 ACIDIC AND PHYSIOLOGICAL PH SOLUTIONS. JRNL REF BIOCHEMISTRY V. 31 11928 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1445923 JRNL DOI 10.1021/BI00162A036 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.KOHDA,F.INAGAKI REMARK 1 TITL STRUCTURE OF EPIDERMAL GROWTH FACTOR BOUND TO REMARK 1 TITL 2 PERDEUTERATED DODECYLPHOSPHOCHOLINE MICELLES REMARK 1 TITL 3 DETERMINED BY TWO-DIMENSIONAL NMR AND SIMULATED REMARK 1 TITL 4 ANNEALING CALCULATIONS REMARK 1 REF BIOCHEMISTRY V. 31 677 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH D.KOHDA,T.SAWADA,F.INAGAKI REMARK 1 TITL CHARACTERIZATION OF PH TITRATION SHIFTS FOR ALL REMARK 1 TITL 2 THE NONLABILE PROTON RESONANCES IN A PROTEIN BY REMARK 1 TITL 3 TWO-DIMENSIONAL NMR: THE CASE OF MOUSE EPIDERMAL REMARK 1 TITL 4 GROWTH FACTOR REMARK 1 REF BIOCHEMISTRY V. 30 4896 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH D.KOHDA,N.GO,K.HAYASHI,F.INAGAKI REMARK 1 TITL TERTIARY STRUCTURE OF MOUSE EPIDERMAL GROWTH REMARK 1 TITL 2 FACTOR DETERMINED BY TWO-DIMENSIONAL 1H NMR REMARK 1 REF J.BIOCHEM.(TOKYO) V. 103 741 1988 REMARK 1 REFN ISSN 0021-924X REMARK 1 REFERENCE 4 REMARK 1 AUTH D.KOHDA,C.KODAMA,R.KASE,H.NOMOTO,K.HAYASHI, REMARK 1 AUTH 2 F.INAGAKI REMARK 1 TITL A COMPARATIVE 1H NMR STUDY OF MOUSE ALPHA(1-53) REMARK 1 TITL 2 AND BETA(2-53) EPIDERMAL GROWTH FACTORS REMARK 1 REF BIOCHEM.INT. V. 16 647 1988 REMARK 1 REFN ISSN 0158-5231 REMARK 1 REFERENCE 5 REMARK 1 AUTH D.KOHDA,F.INAGAKI REMARK 1 TITL COMPLETE SEQUENCE-SPECIFIC 1H NUCLEAR MAGNETIC REMARK 1 TITL 2 RESONANCE ASSIGNMENTS FOR MOUSE EPIDERMAL GROWTH REMARK 1 TITL 3 FACTOR REMARK 1 REF J.BIOCHEM.(TOKYO) V. 103 554 1988 REMARK 1 REFN ISSN 0021-924X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EPI 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: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 22 CG HIS A 22 ND1 -0.101 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TYR A 37 CB - CG - CD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 TRP A 49 CG - CD1 - NE1 ANGL. DEV. = -6.5 DEGREES REMARK 500 TRP A 49 CD1 - NE1 - CE2 ANGL. DEV. = 6.9 DEGREES REMARK 500 TRP A 49 NE1 - CE2 - CZ2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 49 NE1 - CE2 - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 50 CD1 - NE1 - CE2 ANGL. DEV. = 6.8 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 PRO A 4 108.30 -59.43 REMARK 500 CYS A 6 116.35 -175.17 REMARK 500 PRO A 7 -170.55 -51.24 REMARK 500 SER A 9 -11.02 -45.53 REMARK 500 TYR A 10 52.68 -102.85 REMARK 500 ILE A 23 134.03 57.95 REMARK 500 GLU A 24 -157.91 -57.73 REMARK 500 SER A 25 -128.37 58.25 REMARK 500 ASP A 27 -100.58 -42.90 REMARK 500 CYS A 33 -154.94 -58.57 REMARK 500 ARG A 41 56.94 172.08 REMARK 500 CYS A 42 17.68 59.57 REMARK 500 ASP A 46 46.28 -77.38 REMARK 500 LEU A 47 -157.69 40.02 REMARK 500 TRP A 49 -37.65 -160.58 REMARK 500 TRP A 50 -96.03 -97.65 REMARK 500 GLU A 51 -151.26 -67.26 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 TYR A 37 0.10 SIDE_CHAIN REMARK 500 ARG A 41 0.30 SIDE_CHAIN REMARK 500 ARG A 45 0.20 SIDE_CHAIN REMARK 500 ARG A 48 0.32 SIDE_CHAIN REMARK 500 ARG A 53 0.24 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EPJ RELATED DB: PDB DBREF 1EPI A 1 53 UNP P01132 EGF_MOUSE 977 1029 SEQRES 1 A 53 ASN SER TYR PRO GLY CYS PRO SER SER TYR ASP GLY TYR SEQRES 2 A 53 CYS LEU ASN GLY GLY VAL CYS MET HIS ILE GLU SER LEU SEQRES 3 A 53 ASP SER TYR THR CYS ASN CYS VAL ILE GLY TYR SER GLY SEQRES 4 A 53 ASP ARG CYS GLN THR ARG ASP LEU ARG TRP TRP GLU LEU SEQRES 5 A 53 ARG SHEET 1 SAB 3 SER A 2 PRO A 4 0 SHEET 2 SAB 3 VAL A 19 ILE A 23 -1 O HIS A 22 N TYR A 3 SHEET 3 SAB 3 SER A 28 ASN A 32 -1 O THR A 30 N MET A 21 SHEET 1 SC 2 TYR A 37 SER A 38 0 SHEET 2 SC 2 THR A 44 ARG A 45 -1 O THR A 44 N SER A 38 SSBOND 1 CYS A 6 CYS A 20 1555 1555 2.01 SSBOND 2 CYS A 14 CYS A 31 1555 1555 2.02 SSBOND 3 CYS A 33 CYS A 42 1555 1555 2.03 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 ATOM 1 N ASN A 1 0.000 0.000 0.000 1.00 4.61 N ATOM 2 CA ASN A 1 -0.894 -1.117 0.402 1.00 3.77 C ATOM 3 C ASN A 1 -0.725 -1.410 1.889 1.00 3.08 C ATOM 4 O ASN A 1 -1.692 -1.512 2.618 1.00 3.22 O ATOM 5 CB ASN A 1 -0.537 -2.383 -0.387 1.00 4.83 C ATOM 6 CG ASN A 1 -0.538 -2.065 -1.884 1.00 5.69 C ATOM 7 OD1 ASN A 1 0.452 -2.234 -2.566 1.00 6.84 O ATOM 8 ND2 ASN A 1 -1.628 -1.602 -2.432 1.00 5.81 N ATOM 9 H1 ASN A 1 0.039 0.704 0.764 1.00 5.24 H ATOM 10 H2 ASN A 1 0.955 -0.369 -0.182 1.00 4.98 H ATOM 11 H3 ASN A 1 -0.370 0.446 -0.864 1.00 4.80 H ATOM 12 HA ASN A 1 -1.924 -0.824 0.219 1.00 3.99 H ATOM 13 HB2 ASN A 1 0.443 -2.731 -0.097 1.00 5.36 H ATOM 14 HB3 ASN A 1 -1.264 -3.156 -0.187 1.00 5.15 H ATOM 15 HD21 ASN A 1 -2.430 -1.463 -1.886 1.00 5.52 H ATOM 16 HD22 ASN A 1 -1.645 -1.393 -3.389 1.00 6.68 H ATOM 17 N SER A 2 0.503 -1.540 2.311 1.00 2.63 N ATOM 18 CA SER A 2 0.752 -1.827 3.748 1.00 1.99 C ATOM 19 C SER A 2 0.769 -0.536 4.564 1.00 1.70 C ATOM 20 O SER A 2 1.776 -0.178 5.143 1.00 2.15 O ATOM 21 CB SER A 2 2.119 -2.513 3.875 1.00 2.22 C ATOM 22 OG SER A 2 3.031 -1.585 3.306 1.00 3.00 O ATOM 23 H SER A 2 1.253 -1.448 1.687 1.00 2.91 H ATOM 24 HA SER A 2 -0.039 -2.469 4.121 1.00 1.84 H ATOM 25 HB2 SER A 2 2.364 -2.689 4.912 1.00 2.98 H ATOM 26 HB3 SER A 2 2.135 -3.440 3.321 1.00 2.18 H ATOM 27 HG SER A 2 2.565 -1.086 2.632 1.00 3.49 H ATOM 28 N TYR A 3 -0.349 0.140 4.594 1.00 1.55 N ATOM 29 CA TYR A 3 -0.414 1.408 5.368 1.00 1.33 C ATOM 30 C TYR A 3 -0.591 1.112 6.866 1.00 0.98 C ATOM 31 O TYR A 3 -1.125 0.082 7.224 1.00 0.93 O ATOM 32 CB TYR A 3 -1.649 2.190 4.897 1.00 1.71 C ATOM 33 CG TYR A 3 -1.268 3.130 3.753 1.00 1.93 C ATOM 34 CD1 TYR A 3 -0.917 2.624 2.519 1.00 2.52 C ATOM 35 CD2 TYR A 3 -1.290 4.498 3.934 1.00 2.20 C ATOM 36 CE1 TYR A 3 -0.593 3.473 1.481 1.00 3.34 C ATOM 37 CE2 TYR A 3 -0.966 5.347 2.896 1.00 2.98 C ATOM 38 CZ TYR A 3 -0.616 4.841 1.661 1.00 3.56 C ATOM 39 OH TYR A 3 -0.300 5.690 0.622 1.00 4.46 O ATOM 40 H TYR A 3 -1.136 -0.186 4.110 1.00 2.07 H ATOM 41 HA TYR A 3 0.494 1.964 5.191 1.00 1.40 H ATOM 42 HB2 TYR A 3 -2.405 1.501 4.552 1.00 2.35 H ATOM 43 HB3 TYR A 3 -2.046 2.771 5.716 1.00 1.87 H ATOM 44 HD1 TYR A 3 -0.896 1.556 2.364 1.00 2.51 H ATOM 45 HD2 TYR A 3 -1.563 4.908 4.895 1.00 2.04 H ATOM 46 HE1 TYR A 3 -0.321 3.064 0.519 1.00 3.89 H ATOM 47 HE2 TYR A 3 -0.988 6.415 3.051 1.00 3.27 H ATOM 48 HH TYR A 3 -1.098 6.159 0.369 1.00 4.70 H ATOM 49 N PRO A 4 -0.145 2.012 7.725 1.00 0.88 N ATOM 50 CA PRO A 4 -0.281 1.802 9.175 1.00 0.86 C ATOM 51 C PRO A 4 -1.756 1.651 9.549 1.00 0.73 C ATOM 52 O PRO A 4 -2.504 2.607 9.520 1.00 0.99 O ATOM 53 CB PRO A 4 0.286 3.083 9.814 1.00 1.06 C ATOM 54 CG PRO A 4 0.721 4.030 8.668 1.00 1.24 C ATOM 55 CD PRO A 4 0.514 3.281 7.344 1.00 1.16 C ATOM 56 HA PRO A 4 0.276 0.923 9.478 1.00 0.93 H ATOM 57 HB2 PRO A 4 -0.471 3.559 10.418 1.00 1.00 H ATOM 58 HB3 PRO A 4 1.138 2.839 10.433 1.00 1.24 H ATOM 59 HG2 PRO A 4 0.119 4.927 8.682 1.00 1.31 H ATOM 60 HG3 PRO A 4 1.762 4.293 8.783 1.00 1.45 H ATOM 61 HD2 PRO A 4 -0.117 3.847 6.676 1.00 1.31 H ATOM 62 HD3 PRO A 4 1.471 3.083 6.883 1.00 1.29 H ATOM 63 N GLY A 5 -2.148 0.455 9.891 1.00 0.67 N ATOM 64 CA GLY A 5 -3.575 0.236 10.265 1.00 0.58 C ATOM 65 C GLY A 5 -3.692 -0.838 11.342 1.00 0.52 C ATOM 66 O GLY A 5 -3.296 -1.960 11.131 1.00 0.71 O ATOM 67 H GLY A 5 -1.512 -0.290 9.907 1.00 0.85 H ATOM 68 HA2 GLY A 5 -3.997 1.159 10.628 1.00 0.66 H ATOM 69 HA3 GLY A 5 -4.114 -0.087 9.390 1.00 0.69 H ATOM 70 N CYS A 6 -4.266 -0.493 12.465 1.00 0.42 N ATOM 71 CA CYS A 6 -4.392 -1.516 13.536 1.00 0.60 C ATOM 72 C CYS A 6 -5.194 -0.997 14.751 1.00 0.64 C ATOM 73 O CYS A 6 -4.760 -0.066 15.400 1.00 0.72 O ATOM 74 CB CYS A 6 -2.976 -1.797 14.028 1.00 0.77 C ATOM 75 SG CYS A 6 -2.059 -0.385 14.685 1.00 1.29 S ATOM 76 H CYS A 6 -4.610 0.416 12.595 1.00 0.43 H ATOM 77 HA CYS A 6 -4.830 -2.408 13.124 1.00 0.70 H ATOM 78 HB2 CYS A 6 -3.028 -2.545 14.795 1.00 1.26 H ATOM 79 HB3 CYS A 6 -2.403 -2.209 13.215 1.00 1.16 H ATOM 80 N PRO A 7 -6.346 -1.585 15.054 1.00 0.66 N ATOM 81 CA PRO A 7 -7.146 -1.129 16.207 1.00 0.80 C ATOM 82 C PRO A 7 -6.318 -1.043 17.484 1.00 0.94 C ATOM 83 O PRO A 7 -5.111 -1.169 17.457 1.00 0.93 O ATOM 84 CB PRO A 7 -8.256 -2.182 16.348 1.00 0.93 C ATOM 85 CG PRO A 7 -8.259 -3.024 15.047 1.00 1.01 C ATOM 86 CD PRO A 7 -6.969 -2.691 14.285 1.00 0.77 C ATOM 87 HA PRO A 7 -7.558 -0.153 16.003 1.00 0.83 H ATOM 88 HB2 PRO A 7 -8.052 -2.819 17.197 1.00 0.97 H ATOM 89 HB3 PRO A 7 -9.212 -1.698 16.480 1.00 1.02 H ATOM 90 HG2 PRO A 7 -8.283 -4.078 15.288 1.00 1.17 H ATOM 91 HG3 PRO A 7 -9.119 -2.770 14.444 1.00 1.19 H ATOM 92 HD2 PRO A 7 -6.326 -3.553 14.262 1.00 0.76 H ATOM 93 HD3 PRO A 7 -7.194 -2.365 13.280 1.00 0.80 H ATOM 94 N SER A 8 -6.989 -0.834 18.582 1.00 1.14 N ATOM 95 CA SER A 8 -6.257 -0.730 19.868 1.00 1.37 C ATOM 96 C SER A 8 -5.640 -2.060 20.316 1.00 1.49 C ATOM 97 O SER A 8 -4.489 -2.106 20.703 1.00 2.14 O ATOM 98 CB SER A 8 -7.241 -0.259 20.945 1.00 1.48 C ATOM 99 OG SER A 8 -8.484 -0.818 20.546 1.00 2.08 O ATOM 100 H SER A 8 -7.965 -0.746 18.559 1.00 1.18 H ATOM 101 HA SER A 8 -5.468 -0.005 19.731 1.00 1.53 H ATOM 102 HB2 SER A 8 -6.956 -0.637 21.916 1.00 1.97 H ATOM 103 HB3 SER A 8 -7.304 0.818 20.962 1.00 1.85 H ATOM 104 HG SER A 8 -9.182 -0.342 21.001 1.00 2.60 H ATOM 105 N SER A 9 -6.417 -3.109 20.269 1.00 1.24 N ATOM 106 CA SER A 9 -5.892 -4.444 20.692 1.00 1.37 C ATOM 107 C SER A 9 -4.505 -4.728 20.108 1.00 1.49 C ATOM 108 O SER A 9 -3.847 -5.672 20.501 1.00 2.56 O ATOM 109 CB SER A 9 -6.861 -5.519 20.184 1.00 1.47 C ATOM 110 OG SER A 9 -7.412 -4.957 19.001 1.00 1.97 O ATOM 111 H SER A 9 -7.342 -3.021 19.959 1.00 1.62 H ATOM 112 HA SER A 9 -5.828 -4.470 21.774 1.00 1.50 H ATOM 113 HB2 SER A 9 -6.334 -6.432 19.953 1.00 2.10 H ATOM 114 HB3 SER A 9 -7.642 -5.705 20.907 1.00 2.02 H ATOM 115 HG SER A 9 -8.203 -4.473 19.243 1.00 2.39 H ATOM 116 N TYR A 10 -4.095 -3.909 19.183 1.00 0.96 N ATOM 117 CA TYR A 10 -2.762 -4.101 18.554 1.00 1.02 C ATOM 118 C TYR A 10 -1.741 -3.110 19.108 1.00 1.03 C ATOM 119 O TYR A 10 -1.082 -2.406 18.368 1.00 1.42 O ATOM 120 CB TYR A 10 -2.955 -3.876 17.058 1.00 1.15 C ATOM 121 CG TYR A 10 -3.469 -5.185 16.474 1.00 0.72 C ATOM 122 CD1 TYR A 10 -2.637 -6.269 16.424 1.00 0.70 C ATOM 123 CD2 TYR A 10 -4.781 -5.326 16.084 1.00 0.67 C ATOM 124 CE1 TYR A 10 -3.088 -7.493 16.009 1.00 0.65 C ATOM 125 CE2 TYR A 10 -5.251 -6.553 15.656 1.00 0.99 C ATOM 126 CZ TYR A 10 -4.405 -7.651 15.614 1.00 1.02 C ATOM 127 OH TYR A 10 -4.866 -8.878 15.181 1.00 1.50 O ATOM 128 H TYR A 10 -4.668 -3.170 18.894 1.00 1.50 H ATOM 129 HA TYR A 10 -2.406 -5.115 18.745 1.00 1.05 H ATOM 130 HB2 TYR A 10 -3.683 -3.096 16.898 1.00 1.48 H ATOM 131 HB3 TYR A 10 -2.017 -3.611 16.594 1.00 1.39 H ATOM 132 HD1 TYR A 10 -1.611 -6.147 16.686 1.00 0.99 H ATOM 133 HD2 TYR A 10 -5.445 -4.475 16.122 1.00 0.76 H ATOM 134 HE1 TYR A 10 -2.414 -8.342 16.036 1.00 0.70 H ATOM 135 HE2 TYR A 10 -6.282 -6.653 15.342 1.00 1.31 H ATOM 136 HH TYR A 10 -5.655 -9.093 15.684 1.00 2.05 H ATOM 137 N ASP A 11 -1.642 -3.082 20.411 1.00 0.96 N ATOM 138 CA ASP A 11 -0.681 -2.161 21.072 1.00 1.08 C ATOM 139 C ASP A 11 0.190 -2.945 22.046 1.00 1.15 C ATOM 140 O ASP A 11 1.007 -2.386 22.750 1.00 1.65 O ATOM 141 CB ASP A 11 -1.471 -1.103 21.852 1.00 1.00 C ATOM 142 CG ASP A 11 -0.498 -0.079 22.439 1.00 1.63 C ATOM 143 OD1 ASP A 11 -0.205 0.863 21.721 1.00 2.08 O ATOM 144 OD2 ASP A 11 -0.100 -0.298 23.572 1.00 1.91 O ATOM 145 H ASP A 11 -2.205 -3.672 20.955 1.00 1.12 H ATOM 146 HA ASP A 11 -0.046 -1.701 20.322 1.00 1.39 H ATOM 147 HB2 ASP A 11 -2.162 -0.601 21.192 1.00 1.27 H ATOM 148 HB3 ASP A 11 -2.021 -1.573 22.654 1.00 1.01 H ATOM 149 N GLY A 12 -0.009 -4.237 22.061 1.00 0.89 N ATOM 150 CA GLY A 12 0.789 -5.095 22.977 1.00 1.07 C ATOM 151 C GLY A 12 0.719 -6.559 22.531 1.00 0.89 C ATOM 152 O GLY A 12 1.270 -7.429 23.176 1.00 1.08 O ATOM 153 H GLY A 12 -0.682 -4.638 21.473 1.00 0.98 H ATOM 154 HA2 GLY A 12 1.819 -4.768 22.967 1.00 1.36 H ATOM 155 HA3 GLY A 12 0.397 -5.009 23.979 1.00 1.36 H ATOM 156 N TYR A 13 0.044 -6.805 21.438 1.00 0.67 N ATOM 157 CA TYR A 13 -0.060 -8.207 20.955 1.00 0.60 C ATOM 158 C TYR A 13 1.335 -8.772 20.704 1.00 0.64 C ATOM 159 O TYR A 13 1.564 -9.955 20.856 1.00 0.97 O ATOM 160 CB TYR A 13 -0.898 -8.219 19.658 1.00 0.64 C ATOM 161 CG TYR A 13 -0.129 -8.841 18.495 1.00 0.46 C ATOM 162 CD1 TYR A 13 0.197 -10.184 18.478 1.00 0.80 C ATOM 163 CD2 TYR A 13 0.137 -8.081 17.386 1.00 0.74 C ATOM 164 CE1 TYR A 13 0.771 -10.747 17.355 1.00 1.04 C ATOM 165 CE2 TYR A 13 0.694 -8.635 16.270 1.00 0.96 C ATOM 166 CZ TYR A 13 1.024 -9.974 16.239 1.00 1.07 C ATOM 167 OH TYR A 13 1.594 -10.532 15.114 1.00 1.40 O ATOM 168 H TYR A 13 -0.382 -6.075 20.940 1.00 0.78 H ATOM 169 HA TYR A 13 -0.540 -8.802 21.727 1.00 0.81 H ATOM 170 HB2 TYR A 13 -1.802 -8.786 19.812 1.00 0.85 H ATOM 171 HB3 TYR A 13 -1.168 -7.207 19.387 1.00 0.83 H ATOM 172 HD1 TYR A 13 -0.002 -10.798 19.343 1.00 1.00 H ATOM 173 HD2 TYR A 13 -0.034 -7.024 17.413 1.00 0.93 H ATOM 174 HE1 TYR A 13 1.035 -11.796 17.352 1.00 1.31 H ATOM 175 HE2 TYR A 13 0.816 -8.024 15.396 1.00 1.23 H ATOM 176 HH TYR A 13 1.193 -11.393 14.974 1.00 1.28 H ATOM 177 N CYS A 14 2.245 -7.904 20.343 1.00 0.61 N ATOM 178 CA CYS A 14 3.640 -8.360 20.078 1.00 0.83 C ATOM 179 C CYS A 14 4.573 -7.950 21.221 1.00 0.78 C ATOM 180 O CYS A 14 4.511 -6.837 21.704 1.00 0.75 O ATOM 181 CB CYS A 14 4.142 -7.699 18.788 1.00 1.10 C ATOM 182 SG CYS A 14 2.906 -7.097 17.615 1.00 1.36 S ATOM 183 H CYS A 14 2.005 -6.959 20.237 1.00 0.70 H ATOM 184 HA CYS A 14 3.651 -9.440 19.986 1.00 0.95 H ATOM 185 HB2 CYS A 14 4.767 -6.862 19.060 1.00 1.30 H ATOM 186 HB3 CYS A 14 4.763 -8.412 18.266 1.00 1.22 H ATOM 187 N LEU A 15 5.420 -8.859 21.635 1.00 0.86 N ATOM 188 CA LEU A 15 6.362 -8.531 22.744 1.00 0.89 C ATOM 189 C LEU A 15 7.546 -7.743 22.197 1.00 0.88 C ATOM 190 O LEU A 15 8.181 -6.981 22.898 1.00 1.56 O ATOM 191 CB LEU A 15 6.913 -9.832 23.362 1.00 0.94 C ATOM 192 CG LEU A 15 5.955 -11.007 23.127 1.00 0.98 C ATOM 193 CD1 LEU A 15 6.370 -11.755 21.854 1.00 0.89 C ATOM 194 CD2 LEU A 15 6.055 -11.962 24.317 1.00 1.46 C ATOM 195 H LEU A 15 5.435 -9.746 21.219 1.00 1.01 H ATOM 196 HA LEU A 15 5.846 -7.932 23.487 1.00 0.95 H ATOM 197 HB2 LEU A 15 7.870 -10.059 22.915 1.00 0.92 H ATOM 198 HB3 LEU A 15 7.052 -9.691 24.423 1.00 1.10 H ATOM 199 HG LEU A 15 4.940 -10.654 23.036 1.00 1.23 H ATOM 200 HD11 LEU A 15 6.667 -11.049 21.094 1.00 0.99 H ATOM 201 HD12 LEU A 15 7.200 -12.410 22.072 1.00 1.02 H ATOM 202 HD13 LEU A 15 5.542 -12.344 21.488 1.00 1.45 H ATOM 203 HD21 LEU A 15 7.085 -12.251 24.468 1.00 1.63 H ATOM 204 HD22 LEU A 15 5.691 -11.472 25.208 1.00 1.47 H ATOM 205 HD23 LEU A 15 5.462 -12.844 24.128 1.00 1.83 H ATOM 206 N ASN A 16 7.811 -7.964 20.943 1.00 0.89 N ATOM 207 CA ASN A 16 8.937 -7.269 20.270 1.00 0.82 C ATOM 208 C ASN A 16 8.458 -5.975 19.620 1.00 0.83 C ATOM 209 O ASN A 16 7.308 -5.612 19.755 1.00 1.26 O ATOM 210 CB ASN A 16 9.428 -8.217 19.179 1.00 0.81 C ATOM 211 CG ASN A 16 9.275 -9.651 19.688 1.00 1.03 C ATOM 212 OD1 ASN A 16 8.266 -10.294 19.473 1.00 1.36 O ATOM 213 ND2 ASN A 16 10.251 -10.190 20.366 1.00 1.06 N ATOM 214 H ASN A 16 7.259 -8.596 20.436 1.00 1.41 H ATOM 215 HA ASN A 16 9.724 -7.056 20.986 1.00 0.85 H ATOM 216 HB2 ASN A 16 8.834 -8.090 18.287 1.00 1.03 H ATOM 217 HB3 ASN A 16 10.458 -8.020 18.953 1.00 0.60 H ATOM 218 HD21 ASN A 16 11.067 -9.678 20.540 1.00 0.98 H ATOM 219 HD22 ASN A 16 10.164 -11.105 20.704 1.00 1.30 H ATOM 220 N GLY A 17 9.344 -5.294 18.937 1.00 1.13 N ATOM 221 CA GLY A 17 8.922 -4.023 18.280 1.00 1.24 C ATOM 222 C GLY A 17 7.634 -4.285 17.499 1.00 0.80 C ATOM 223 O GLY A 17 6.553 -4.228 18.050 1.00 1.38 O ATOM 224 H GLY A 17 10.269 -5.612 18.863 1.00 1.34 H ATOM 225 HA2 GLY A 17 8.742 -3.268 19.032 1.00 1.57 H ATOM 226 HA3 GLY A 17 9.696 -3.687 17.605 1.00 1.53 H ATOM 227 N GLY A 18 7.762 -4.539 16.225 1.00 0.74 N ATOM 228 CA GLY A 18 6.541 -4.807 15.430 1.00 1.03 C ATOM 229 C GLY A 18 5.988 -3.532 14.807 1.00 0.88 C ATOM 230 O GLY A 18 5.904 -2.504 15.450 1.00 1.13 O ATOM 231 H GLY A 18 8.641 -4.512 15.788 1.00 0.99 H ATOM 232 HA2 GLY A 18 6.778 -5.510 14.648 1.00 1.33 H ATOM 233 HA3 GLY A 18 5.793 -5.241 16.075 1.00 1.41 H ATOM 234 N VAL A 19 5.626 -3.645 13.559 1.00 0.71 N ATOM 235 CA VAL A 19 5.073 -2.499 12.831 1.00 0.61 C ATOM 236 C VAL A 19 3.632 -2.800 12.440 1.00 0.64 C ATOM 237 O VAL A 19 3.370 -3.454 11.456 1.00 0.93 O ATOM 238 CB VAL A 19 5.922 -2.269 11.584 1.00 0.56 C ATOM 239 CG1 VAL A 19 5.441 -0.987 10.903 1.00 0.70 C ATOM 240 CG2 VAL A 19 7.393 -2.118 12.008 1.00 0.69 C ATOM 241 H VAL A 19 5.723 -4.485 13.104 1.00 0.85 H ATOM 242 HA VAL A 19 5.093 -1.650 13.477 1.00 0.75 H ATOM 243 HB VAL A 19 5.817 -3.105 10.909 1.00 0.62 H ATOM 244 HG11 VAL A 19 4.599 -0.583 11.450 1.00 0.88 H ATOM 245 HG12 VAL A 19 6.237 -0.258 10.885 1.00 0.69 H ATOM 246 HG13 VAL A 19 5.135 -1.206 9.891 1.00 0.91 H ATOM 247 HG21 VAL A 19 7.694 -2.967 12.615 1.00 0.66 H ATOM 248 HG22 VAL A 19 8.021 -2.068 11.132 1.00 0.78 H ATOM 249 HG23 VAL A 19 7.516 -1.214 12.586 1.00 0.80 H ATOM 250 N CYS A 20 2.737 -2.298 13.237 1.00 0.70 N ATOM 251 CA CYS A 20 1.279 -2.506 13.001 1.00 0.60 C ATOM 252 C CYS A 20 0.796 -2.125 11.601 1.00 0.54 C ATOM 253 O CYS A 20 1.091 -1.061 11.094 1.00 0.78 O ATOM 254 CB CYS A 20 0.554 -1.676 14.045 1.00 0.79 C ATOM 255 SG CYS A 20 -0.441 -0.279 13.490 1.00 1.08 S ATOM 256 H CYS A 20 3.029 -1.755 13.997 1.00 1.00 H ATOM 257 HA CYS A 20 1.050 -3.544 13.160 1.00 0.53 H ATOM 258 HB2 CYS A 20 -0.090 -2.344 14.594 1.00 0.79 H ATOM 259 HB3 CYS A 20 1.294 -1.301 14.734 1.00 1.15 H ATOM 260 N MET A 21 0.048 -3.035 11.010 1.00 0.38 N ATOM 261 CA MET A 21 -0.499 -2.803 9.639 1.00 0.48 C ATOM 262 C MET A 21 -1.905 -3.381 9.513 1.00 0.47 C ATOM 263 O MET A 21 -2.362 -4.107 10.378 1.00 0.45 O ATOM 264 CB MET A 21 0.371 -3.539 8.613 1.00 0.55 C ATOM 265 CG MET A 21 1.823 -3.593 9.084 1.00 0.50 C ATOM 266 SD MET A 21 3.069 -4.118 7.880 1.00 0.75 S ATOM 267 CE MET A 21 2.051 -5.336 7.008 1.00 1.87 C ATOM 268 H MET A 21 -0.149 -3.875 11.474 1.00 0.39 H ATOM 269 HA MET A 21 -0.541 -1.734 9.436 1.00 0.59 H ATOM 270 HB2 MET A 21 -0.004 -4.549 8.501 1.00 0.56 H ATOM 271 HB3 MET A 21 0.315 -3.032 7.661 1.00 0.72 H ATOM 272 HG2 MET A 21 2.105 -2.612 9.437 1.00 0.61 H ATOM 273 HG3 MET A 21 1.872 -4.273 9.919 1.00 0.40 H ATOM 274 HE1 MET A 21 1.647 -6.042 7.718 1.00 2.26 H ATOM 275 HE2 MET A 21 1.242 -4.833 6.500 1.00 2.60 H ATOM 276 HE3 MET A 21 2.659 -5.861 6.285 1.00 2.37 H ATOM 277 N HIS A 22 -2.552 -3.054 8.422 1.00 0.57 N ATOM 278 CA HIS A 22 -3.933 -3.559 8.187 1.00 0.65 C ATOM 279 C HIS A 22 -3.975 -4.488 6.975 1.00 0.69 C ATOM 280 O HIS A 22 -4.754 -5.418 6.937 1.00 0.87 O ATOM 281 CB HIS A 22 -4.836 -2.355 7.895 1.00 0.84 C ATOM 282 CG HIS A 22 -5.851 -2.739 6.818 1.00 1.22 C ATOM 283 ND1 HIS A 22 -7.004 -3.217 7.039 1.00 1.88 N ATOM 284 CD2 HIS A 22 -5.757 -2.658 5.441 1.00 2.26 C ATOM 285 CE1 HIS A 22 -7.621 -3.434 5.939 1.00 2.45 C ATOM 286 NE2 HIS A 22 -6.894 -3.105 4.884 1.00 2.76 N ATOM 287 H HIS A 22 -2.124 -2.476 7.756 1.00 0.63 H ATOM 288 HA HIS A 22 -4.276 -4.099 9.063 1.00 0.66 H ATOM 289 HB2 HIS A 22 -5.358 -2.061 8.792 1.00 1.12 H ATOM 290 HB3 HIS A 22 -4.239 -1.528 7.542 1.00 1.25 H ATOM 291 HD1 HIS A 22 -7.371 -3.398 7.930 1.00 2.40 H ATOM 292 HD2 HIS A 22 -4.899 -2.291 4.896 1.00 2.95 H ATOM 293 HE1 HIS A 22 -8.622 -3.836 5.879 1.00 3.14 H ATOM 294 N ILE A 23 -3.139 -4.200 6.008 1.00 1.32 N ATOM 295 CA ILE A 23 -3.090 -5.037 4.773 1.00 1.43 C ATOM 296 C ILE A 23 -4.452 -5.085 4.081 1.00 1.33 C ATOM 297 O ILE A 23 -5.471 -5.281 4.712 1.00 1.32 O ATOM 298 CB ILE A 23 -2.659 -6.461 5.149 1.00 1.52 C ATOM 299 CG1 ILE A 23 -1.279 -6.428 5.802 1.00 1.60 C ATOM 300 CG2 ILE A 23 -2.567 -7.297 3.865 1.00 1.94 C ATOM 301 CD1 ILE A 23 -1.187 -7.554 6.834 1.00 1.45 C ATOM 302 H ILE A 23 -2.543 -3.427 6.095 1.00 1.76 H ATOM 303 HA ILE A 23 -2.375 -4.593 4.089 1.00 1.63 H ATOM 304 HB ILE A 23 -3.374 -6.891 5.841 1.00 1.71 H ATOM 305 HG12 ILE A 23 -0.518 -6.564 5.048 1.00 2.34 H ATOM 306 HG13 ILE A 23 -1.128 -5.477 6.290 1.00 1.96 H ATOM 307 HG21 ILE A 23 -2.091 -6.719 3.086 1.00 2.20 H ATOM 308 HG22 ILE A 23 -1.985 -8.188 4.051 1.00 2.30 H ATOM 309 HG23 ILE A 23 -3.557 -7.581 3.542 1.00 2.34 H ATOM 310 HD11 ILE A 23 -1.587 -8.465 6.415 1.00 2.01 H ATOM 311 HD12 ILE A 23 -0.155 -7.712 7.109 1.00 1.67 H ATOM 312 HD13 ILE A 23 -1.752 -7.288 7.714 1.00 1.49 H ATOM 313 N GLU A 24 -4.440 -4.902 2.786 1.00 2.19 N ATOM 314 CA GLU A 24 -5.719 -4.932 2.032 1.00 2.20 C ATOM 315 C GLU A 24 -6.435 -6.260 2.239 1.00 2.28 C ATOM 316 O GLU A 24 -6.196 -6.952 3.209 1.00 2.85 O ATOM 317 CB GLU A 24 -5.409 -4.770 0.538 1.00 3.20 C ATOM 318 CG GLU A 24 -6.465 -3.864 -0.098 1.00 3.66 C ATOM 319 CD GLU A 24 -6.251 -3.822 -1.612 1.00 4.53 C ATOM 320 OE1 GLU A 24 -6.776 -4.714 -2.259 1.00 4.93 O ATOM 321 OE2 GLU A 24 -5.575 -2.900 -2.038 1.00 5.02 O ATOM 322 H GLU A 24 -3.593 -4.749 2.317 1.00 2.95 H ATOM 323 HA GLU A 24 -6.357 -4.128 2.384 1.00 1.81 H ATOM 324 HB2 GLU A 24 -4.431 -4.329 0.416 1.00 3.38 H ATOM 325 HB3 GLU A 24 -5.424 -5.737 0.057 1.00 3.77 H ATOM 326 HG2 GLU A 24 -7.452 -4.250 0.112 1.00 3.78 H ATOM 327 HG3 GLU A 24 -6.379 -2.865 0.302 1.00 3.93 H ATOM 328 N SER A 25 -7.301 -6.593 1.323 1.00 3.24 N ATOM 329 CA SER A 25 -8.041 -7.873 1.453 1.00 3.81 C ATOM 330 C SER A 25 -8.823 -7.910 2.766 1.00 3.73 C ATOM 331 O SER A 25 -9.565 -6.997 3.072 1.00 4.47 O ATOM 332 CB SER A 25 -7.021 -9.022 1.438 1.00 4.76 C ATOM 333 OG SER A 25 -6.077 -8.630 0.452 1.00 5.54 O ATOM 334 H SER A 25 -7.462 -6.002 0.558 1.00 4.00 H ATOM 335 HA SER A 25 -8.737 -7.962 0.625 1.00 4.05 H ATOM 336 HB2 SER A 25 -6.537 -9.123 2.398 1.00 5.35 H ATOM 337 HB3 SER A 25 -7.494 -9.950 1.153 1.00 4.69 H ATOM 338 HG SER A 25 -5.997 -7.674 0.482 1.00 5.37 H ATOM 339 N LEU A 26 -8.645 -8.960 3.519 1.00 3.39 N ATOM 340 CA LEU A 26 -9.375 -9.060 4.810 1.00 3.65 C ATOM 341 C LEU A 26 -8.559 -8.447 5.949 1.00 3.26 C ATOM 342 O LEU A 26 -7.501 -7.892 5.728 1.00 3.53 O ATOM 343 CB LEU A 26 -9.623 -10.544 5.113 1.00 4.63 C ATOM 344 CG LEU A 26 -10.965 -10.967 4.507 1.00 5.50 C ATOM 345 CD1 LEU A 26 -10.986 -10.611 3.018 1.00 5.64 C ATOM 346 CD2 LEU A 26 -11.128 -12.480 4.662 1.00 6.06 C ATOM 347 H LEU A 26 -8.039 -9.676 3.235 1.00 3.53 H ATOM 348 HA LEU A 26 -10.314 -8.523 4.725 1.00 3.87 H ATOM 349 HB2 LEU A 26 -8.829 -11.138 4.687 1.00 5.00 H ATOM 350 HB3 LEU A 26 -9.645 -10.696 6.182 1.00 4.67 H ATOM 351 HG LEU A 26 -11.771 -10.459 5.015 1.00 5.98 H ATOM 352 HD11 LEU A 26 -9.998 -10.728 2.599 1.00 5.53 H ATOM 353 HD12 LEU A 26 -11.671 -11.264 2.498 1.00 6.07 H ATOM 354 HD13 LEU A 26 -11.307 -9.587 2.891 1.00 5.76 H ATOM 355 HD21 LEU A 26 -10.896 -12.770 5.677 1.00 6.02 H ATOM 356 HD22 LEU A 26 -12.146 -12.763 4.437 1.00 6.59 H ATOM 357 HD23 LEU A 26 -10.459 -12.990 3.985 1.00 6.24 H ATOM 358 N ASP A 27 -9.074 -8.559 7.144 1.00 3.08 N ATOM 359 CA ASP A 27 -8.358 -7.994 8.325 1.00 2.81 C ATOM 360 C ASP A 27 -6.857 -8.284 8.278 1.00 2.15 C ATOM 361 O ASP A 27 -6.112 -7.610 7.594 1.00 2.87 O ATOM 362 CB ASP A 27 -8.940 -8.640 9.588 1.00 3.19 C ATOM 363 CG ASP A 27 -10.384 -8.173 9.776 1.00 4.36 C ATOM 364 OD1 ASP A 27 -11.067 -8.105 8.768 1.00 4.92 O ATOM 365 OD2 ASP A 27 -10.724 -7.909 10.918 1.00 4.85 O ATOM 366 H ASP A 27 -9.936 -9.010 7.264 1.00 3.60 H ATOM 367 HA ASP A 27 -8.506 -6.919 8.342 1.00 3.31 H ATOM 368 HB2 ASP A 27 -8.923 -9.715 9.491 1.00 2.97 H ATOM 369 HB3 ASP A 27 -8.356 -8.350 10.450 1.00 3.42 H ATOM 370 N SER A 28 -6.445 -9.275 9.025 1.00 1.99 N ATOM 371 CA SER A 28 -5.000 -9.636 9.050 1.00 1.87 C ATOM 372 C SER A 28 -4.202 -8.636 9.886 1.00 1.87 C ATOM 373 O SER A 28 -2.991 -8.585 9.807 1.00 3.14 O ATOM 374 CB SER A 28 -4.459 -9.620 7.615 1.00 2.16 C ATOM 375 OG SER A 28 -3.510 -10.676 7.592 1.00 2.26 O ATOM 376 H SER A 28 -7.085 -9.776 9.571 1.00 2.64 H ATOM 377 HA SER A 28 -4.893 -10.623 9.491 1.00 2.26 H ATOM 378 HB2 SER A 28 -5.249 -9.812 6.904 1.00 2.82 H ATOM 379 HB3 SER A 28 -3.975 -8.679 7.398 1.00 2.42 H ATOM 380 HG SER A 28 -3.903 -11.437 8.026 1.00 2.38 H ATOM 381 N TYR A 29 -4.896 -7.862 10.675 1.00 0.93 N ATOM 382 CA TYR A 29 -4.192 -6.861 11.523 1.00 0.70 C ATOM 383 C TYR A 29 -2.995 -7.488 12.232 1.00 0.66 C ATOM 384 O TYR A 29 -3.136 -8.484 12.915 1.00 0.79 O ATOM 385 CB TYR A 29 -5.162 -6.365 12.601 1.00 0.72 C ATOM 386 CG TYR A 29 -6.324 -5.614 11.955 1.00 0.74 C ATOM 387 CD1 TYR A 29 -6.113 -4.398 11.341 1.00 0.71 C ATOM 388 CD2 TYR A 29 -7.602 -6.134 11.989 1.00 0.84 C ATOM 389 CE1 TYR A 29 -7.163 -3.711 10.768 1.00 0.77 C ATOM 390 CE2 TYR A 29 -8.653 -5.447 11.414 1.00 0.88 C ATOM 391 CZ TYR A 29 -8.441 -4.230 10.799 1.00 0.85 C ATOM 392 OH TYR A 29 -9.489 -3.543 10.220 1.00 0.92 O ATOM 393 H TYR A 29 -5.873 -7.940 10.710 1.00 1.51 H ATOM 394 HA TYR A 29 -3.851 -6.041 10.900 1.00 0.63 H ATOM 395 HB2 TYR A 29 -5.548 -7.207 13.157 1.00 0.77 H ATOM 396 HB3 TYR A 29 -4.645 -5.700 13.276 1.00 0.70 H ATOM 397 HD1 TYR A 29 -5.117 -3.982 11.308 1.00 0.66 H ATOM 398 HD2 TYR A 29 -7.783 -7.080 12.479 1.00 0.89 H ATOM 399 HE1 TYR A 29 -6.986 -2.753 10.304 1.00 0.78 H ATOM 400 HE2 TYR A 29 -9.648 -5.865 11.445 1.00 0.96 H ATOM 401 HH TYR A 29 -9.396 -2.614 10.448 1.00 1.38 H ATOM 402 N THR A 30 -1.837 -6.906 12.061 1.00 0.52 N ATOM 403 CA THR A 30 -0.642 -7.486 12.739 1.00 0.55 C ATOM 404 C THR A 30 0.528 -6.516 12.707 1.00 0.50 C ATOM 405 O THR A 30 0.467 -5.492 12.057 1.00 0.42 O ATOM 406 CB THR A 30 -0.238 -8.760 11.997 1.00 0.60 C ATOM 407 OG1 THR A 30 0.646 -9.440 12.869 1.00 0.70 O ATOM 408 CG2 THR A 30 0.616 -8.422 10.769 1.00 0.80 C ATOM 409 H THR A 30 -1.752 -6.109 11.478 1.00 0.46 H ATOM 410 HA THR A 30 -0.886 -7.700 13.784 1.00 0.63 H ATOM 411 HB THR A 30 -1.097 -9.377 11.756 1.00 0.67 H ATOM 412 HG1 THR A 30 1.252 -9.955 12.333 1.00 1.04 H ATOM 413 HG21 THR A 30 0.221 -7.542 10.283 1.00 0.59 H ATOM 414 HG22 THR A 30 1.634 -8.232 11.075 1.00 1.20 H ATOM 415 HG23 THR A 30 0.602 -9.249 10.075 1.00 1.10 H ATOM 416 N CYS A 31 1.578 -6.881 13.395 1.00 0.65 N ATOM 417 CA CYS A 31 2.781 -6.011 13.440 1.00 0.68 C ATOM 418 C CYS A 31 3.974 -6.675 12.754 1.00 0.65 C ATOM 419 O CYS A 31 4.528 -7.634 13.255 1.00 0.86 O ATOM 420 CB CYS A 31 3.121 -5.763 14.912 1.00 0.86 C ATOM 421 SG CYS A 31 3.867 -7.125 15.838 1.00 1.18 S ATOM 422 H CYS A 31 1.578 -7.736 13.869 1.00 0.77 H ATOM 423 HA CYS A 31 2.564 -5.081 12.942 1.00 0.68 H ATOM 424 HB2 CYS A 31 3.792 -4.921 14.963 1.00 1.51 H ATOM 425 HB3 CYS A 31 2.211 -5.483 15.423 1.00 1.53 H ATOM 426 N ASN A 32 4.345 -6.150 11.614 1.00 0.63 N ATOM 427 CA ASN A 32 5.500 -6.733 10.876 1.00 0.62 C ATOM 428 C ASN A 32 6.706 -6.896 11.798 1.00 0.64 C ATOM 429 O ASN A 32 7.157 -5.944 12.399 1.00 0.77 O ATOM 430 CB ASN A 32 5.880 -5.777 9.739 1.00 0.63 C ATOM 431 CG ASN A 32 6.193 -6.588 8.480 1.00 0.75 C ATOM 432 OD1 ASN A 32 7.164 -7.316 8.424 1.00 1.50 O ATOM 433 ND2 ASN A 32 5.399 -6.492 7.450 1.00 1.50 N ATOM 434 H ASN A 32 3.866 -5.378 11.248 1.00 0.79 H ATOM 435 HA ASN A 32 5.217 -7.705 10.486 1.00 0.65 H ATOM 436 HB2 ASN A 32 5.061 -5.103 9.536 1.00 0.58 H ATOM 437 HB3 ASN A 32 6.752 -5.205 10.020 1.00 0.68 H ATOM 438 HD21 ASN A 32 4.614 -5.906 7.488 1.00 2.29 H ATOM 439 HD22 ASN A 32 5.586 -7.008 6.638 1.00 1.55 H ATOM 440 N CYS A 33 7.214 -8.097 11.879 1.00 0.52 N ATOM 441 CA CYS A 33 8.391 -8.342 12.759 1.00 0.55 C ATOM 442 C CYS A 33 9.580 -7.465 12.360 1.00 0.68 C ATOM 443 O CYS A 33 9.375 -6.418 11.778 1.00 0.82 O ATOM 444 CB CYS A 33 8.736 -9.827 12.674 1.00 0.44 C ATOM 445 SG CYS A 33 8.235 -10.818 14.091 1.00 0.35 S ATOM 446 H CYS A 33 6.819 -8.834 11.367 1.00 0.44 H ATOM 447 HA CYS A 33 8.109 -8.079 13.773 1.00 0.60 H ATOM 448 HB2 CYS A 33 8.252 -10.236 11.800 1.00 0.49 H ATOM 449 HB3 CYS A 33 9.797 -9.945 12.545 1.00 0.47 H ATOM 450 N VAL A 34 10.803 -7.875 12.663 1.00 0.66 N ATOM 451 CA VAL A 34 11.939 -6.995 12.268 1.00 0.80 C ATOM 452 C VAL A 34 13.194 -7.742 11.817 1.00 0.77 C ATOM 453 O VAL A 34 13.239 -8.958 11.745 1.00 0.67 O ATOM 454 CB VAL A 34 12.286 -6.101 13.460 1.00 0.96 C ATOM 455 CG1 VAL A 34 11.889 -4.659 13.136 1.00 1.26 C ATOM 456 CG2 VAL A 34 11.506 -6.564 14.693 1.00 0.90 C ATOM 457 H VAL A 34 10.962 -8.733 13.126 1.00 0.57 H ATOM 458 HA VAL A 34 11.623 -6.379 11.436 1.00 0.93 H ATOM 459 HB VAL A 34 13.341 -6.148 13.652 1.00 0.99 H ATOM 460 HG11 VAL A 34 10.848 -4.625 12.851 1.00 1.31 H ATOM 461 HG12 VAL A 34 12.040 -4.035 14.005 1.00 1.45 H ATOM 462 HG13 VAL A 34 12.494 -4.288 12.322 1.00 1.32 H ATOM 463 HG21 VAL A 34 11.659 -7.621 14.850 1.00 0.75 H ATOM 464 HG22 VAL A 34 11.846 -6.022 15.562 1.00 1.02 H ATOM 465 HG23 VAL A 34 10.453 -6.376 14.549 1.00 0.96 H ATOM 466 N ILE A 35 14.211 -6.954 11.601 1.00 0.90 N ATOM 467 CA ILE A 35 15.509 -7.462 11.151 1.00 0.97 C ATOM 468 C ILE A 35 16.292 -8.058 12.297 1.00 0.86 C ATOM 469 O ILE A 35 16.897 -7.352 13.081 1.00 0.89 O ATOM 470 CB ILE A 35 16.254 -6.247 10.600 1.00 1.17 C ATOM 471 CG1 ILE A 35 15.651 -5.804 9.258 1.00 1.32 C ATOM 472 CG2 ILE A 35 17.731 -6.585 10.423 1.00 1.29 C ATOM 473 CD1 ILE A 35 16.044 -6.750 8.111 1.00 2.09 C ATOM 474 H ILE A 35 14.141 -6.018 11.824 1.00 0.96 H ATOM 475 HA ILE A 35 15.356 -8.212 10.389 1.00 1.00 H ATOM 476 HB ILE A 35 16.138 -5.430 11.309 1.00 1.16 H ATOM 477 HG12 ILE A 35 14.575 -5.785 9.344 1.00 1.79 H ATOM 478 HG13 ILE A 35 15.995 -4.807 9.028 1.00 2.05 H ATOM 479 HG21 ILE A 35 17.853 -7.647 10.294 1.00 1.25 H ATOM 480 HG22 ILE A 35 18.118 -6.069 9.559 1.00 1.45 H ATOM 481 HG23 ILE A 35 18.271 -6.269 11.301 1.00 1.31 H ATOM 482 HD11 ILE A 35 16.456 -7.665 8.490 1.00 2.44 H ATOM 483 HD12 ILE A 35 15.169 -6.980 7.524 1.00 2.56 H ATOM 484 HD13 ILE A 35 16.775 -6.267 7.479 1.00 2.44 H ATOM 485 N GLY A 36 16.258 -9.350 12.361 1.00 0.78 N ATOM 486 CA GLY A 36 16.990 -10.045 13.442 1.00 0.72 C ATOM 487 C GLY A 36 16.096 -11.019 14.141 1.00 0.54 C ATOM 488 O GLY A 36 16.566 -11.952 14.763 1.00 0.59 O ATOM 489 H GLY A 36 15.736 -9.856 11.707 1.00 0.81 H ATOM 490 HA2 GLY A 36 17.826 -10.580 13.036 1.00 0.84 H ATOM 491 HA3 GLY A 36 17.326 -9.326 14.158 1.00 0.73 H ATOM 492 N TYR A 37 14.828 -10.791 14.042 1.00 0.37 N ATOM 493 CA TYR A 37 13.930 -11.720 14.712 1.00 0.26 C ATOM 494 C TYR A 37 12.591 -11.914 14.041 1.00 0.30 C ATOM 495 O TYR A 37 12.013 -10.992 13.464 1.00 0.37 O ATOM 496 CB TYR A 37 13.805 -11.351 16.135 1.00 0.24 C ATOM 497 CG TYR A 37 13.433 -9.926 16.462 1.00 0.29 C ATOM 498 CD1 TYR A 37 13.837 -8.829 15.726 1.00 0.41 C ATOM 499 CD2 TYR A 37 12.953 -9.733 17.717 1.00 0.41 C ATOM 500 CE1 TYR A 37 13.792 -7.582 16.268 1.00 0.59 C ATOM 501 CE2 TYR A 37 12.911 -8.512 18.280 1.00 0.60 C ATOM 502 CZ TYR A 37 13.323 -7.395 17.564 1.00 0.68 C ATOM 503 OH TYR A 37 13.256 -6.133 18.118 1.00 0.90 O ATOM 504 H TYR A 37 14.483 -9.999 13.558 1.00 0.39 H ATOM 505 HA TYR A 37 14.407 -12.669 14.713 1.00 0.31 H ATOM 506 HB2 TYR A 37 13.076 -12.009 16.573 1.00 0.29 H ATOM 507 HB3 TYR A 37 14.789 -11.530 16.588 1.00 0.33 H ATOM 508 HD1 TYR A 37 14.127 -8.926 14.710 1.00 0.44 H ATOM 509 HD2 TYR A 37 12.500 -10.555 18.232 1.00 0.40 H ATOM 510 HE1 TYR A 37 14.125 -6.748 15.664 1.00 0.69 H ATOM 511 HE2 TYR A 37 12.665 -8.459 19.328 1.00 0.72 H ATOM 512 HH TYR A 37 12.908 -6.217 19.008 1.00 1.01 H ATOM 513 N SER A 38 12.103 -13.130 14.185 1.00 0.33 N ATOM 514 CA SER A 38 10.787 -13.462 13.558 1.00 0.40 C ATOM 515 C SER A 38 10.087 -14.661 14.211 1.00 0.50 C ATOM 516 O SER A 38 10.432 -15.090 15.298 1.00 0.54 O ATOM 517 CB SER A 38 11.042 -13.803 12.087 1.00 0.60 C ATOM 518 OG SER A 38 11.774 -12.691 11.594 1.00 1.41 O ATOM 519 H SER A 38 12.575 -13.785 14.766 1.00 0.37 H ATOM 520 HA SER A 38 10.142 -12.601 13.635 1.00 0.37 H ATOM 521 HB2 SER A 38 11.628 -14.705 12.000 1.00 1.31 H ATOM 522 HB3 SER A 38 10.110 -13.904 11.551 1.00 1.15 H ATOM 523 HG SER A 38 12.560 -13.025 11.156 1.00 2.04 H ATOM 524 N GLY A 39 9.107 -15.169 13.511 1.00 0.74 N ATOM 525 CA GLY A 39 8.332 -16.335 14.022 1.00 0.94 C ATOM 526 C GLY A 39 6.885 -15.887 14.213 1.00 1.05 C ATOM 527 O GLY A 39 6.413 -15.033 13.490 1.00 1.71 O ATOM 528 H GLY A 39 8.876 -14.775 12.643 1.00 0.89 H ATOM 529 HA2 GLY A 39 8.373 -17.141 13.305 1.00 1.11 H ATOM 530 HA3 GLY A 39 8.740 -16.664 14.966 1.00 0.89 H ATOM 531 N ASP A 40 6.197 -16.461 15.160 1.00 1.24 N ATOM 532 CA ASP A 40 4.790 -16.030 15.358 1.00 1.26 C ATOM 533 C ASP A 40 4.759 -14.505 15.428 1.00 1.05 C ATOM 534 O ASP A 40 3.764 -13.874 15.135 1.00 1.21 O ATOM 535 CB ASP A 40 4.279 -16.601 16.686 1.00 1.39 C ATOM 536 CG ASP A 40 4.139 -18.120 16.569 1.00 1.84 C ATOM 537 OD1 ASP A 40 3.568 -18.537 15.575 1.00 1.89 O ATOM 538 OD2 ASP A 40 4.610 -18.778 17.482 1.00 2.62 O ATOM 539 H ASP A 40 6.596 -17.157 15.724 1.00 1.70 H ATOM 540 HA ASP A 40 4.187 -16.367 14.520 1.00 1.40 H ATOM 541 HB2 ASP A 40 4.977 -16.367 17.476 1.00 1.89 H ATOM 542 HB3 ASP A 40 3.316 -16.171 16.922 1.00 1.83 H ATOM 543 N ARG A 41 5.880 -13.959 15.818 1.00 0.83 N ATOM 544 CA ARG A 41 6.016 -12.483 15.938 1.00 0.71 C ATOM 545 C ARG A 41 7.356 -12.148 16.597 1.00 0.60 C ATOM 546 O ARG A 41 7.409 -11.486 17.614 1.00 0.69 O ATOM 547 CB ARG A 41 4.866 -11.921 16.798 1.00 0.99 C ATOM 548 CG ARG A 41 4.530 -12.884 17.941 1.00 0.77 C ATOM 549 CD ARG A 41 4.004 -12.076 19.126 1.00 1.13 C ATOM 550 NE ARG A 41 3.587 -13.016 20.203 1.00 1.21 N ATOM 551 CZ ARG A 41 2.324 -13.308 20.340 1.00 1.44 C ATOM 552 NH1 ARG A 41 1.740 -14.029 19.422 1.00 1.88 N ATOM 553 NH2 ARG A 41 1.686 -12.868 21.389 1.00 1.68 N ATOM 554 H ARG A 41 6.645 -14.532 16.034 1.00 0.91 H ATOM 555 HA ARG A 41 6.001 -12.051 14.942 1.00 0.64 H ATOM 556 HB2 ARG A 41 5.159 -10.967 17.210 1.00 1.33 H ATOM 557 HB3 ARG A 41 3.992 -11.779 16.181 1.00 1.23 H ATOM 558 HG2 ARG A 41 3.770 -13.581 17.622 1.00 1.18 H ATOM 559 HG3 ARG A 41 5.416 -13.427 18.238 1.00 1.36 H ATOM 560 HD2 ARG A 41 4.780 -11.423 19.496 1.00 1.52 H ATOM 561 HD3 ARG A 41 3.153 -11.484 18.819 1.00 1.48 H ATOM 562 HE ARG A 41 4.254 -13.413 20.800 1.00 1.41 H ATOM 563 HH11 ARG A 41 2.261 -14.348 18.630 1.00 2.05 H ATOM 564 HH12 ARG A 41 0.771 -14.261 19.510 1.00 2.23 H ATOM 565 HH21 ARG A 41 2.167 -12.317 22.070 1.00 1.75 H ATOM 566 HH22 ARG A 41 0.717 -13.080 21.510 1.00 2.10 H ATOM 567 N CYS A 42 8.418 -12.621 15.990 1.00 0.43 N ATOM 568 CA CYS A 42 9.768 -12.357 16.547 1.00 0.37 C ATOM 569 C CYS A 42 9.847 -12.920 17.938 1.00 0.50 C ATOM 570 O CYS A 42 10.706 -12.557 18.717 1.00 0.55 O ATOM 571 CB CYS A 42 10.092 -10.869 16.504 1.00 0.34 C ATOM 572 SG CYS A 42 8.889 -9.774 15.701 1.00 0.42 S ATOM 573 H CYS A 42 8.320 -13.149 15.170 1.00 0.41 H ATOM 574 HA CYS A 42 10.502 -12.888 15.969 1.00 0.31 H ATOM 575 HB2 CYS A 42 10.248 -10.524 17.507 1.00 0.42 H ATOM 576 HB3 CYS A 42 11.042 -10.770 15.970 1.00 0.28 H ATOM 577 N GLN A 43 8.919 -13.806 18.232 1.00 0.60 N ATOM 578 CA GLN A 43 8.939 -14.415 19.570 1.00 0.76 C ATOM 579 C GLN A 43 10.342 -14.953 19.676 1.00 0.78 C ATOM 580 O GLN A 43 10.927 -15.053 20.736 1.00 0.91 O ATOM 581 CB GLN A 43 7.928 -15.567 19.623 1.00 0.84 C ATOM 582 CG GLN A 43 8.420 -16.618 20.618 1.00 1.68 C ATOM 583 CD GLN A 43 7.242 -17.487 21.062 1.00 1.85 C ATOM 584 OE1 GLN A 43 6.835 -17.462 22.206 1.00 2.54 O ATOM 585 NE2 GLN A 43 6.666 -18.267 20.189 1.00 2.10 N ATOM 586 H GLN A 43 8.236 -14.055 17.577 1.00 0.59 H ATOM 587 HA GLN A 43 8.763 -13.659 20.332 1.00 0.82 H ATOM 588 HB2 GLN A 43 6.965 -15.190 19.937 1.00 1.40 H ATOM 589 HB3 GLN A 43 7.832 -16.010 18.643 1.00 1.32 H ATOM 590 HG2 GLN A 43 9.168 -17.243 20.152 1.00 2.35 H ATOM 591 HG3 GLN A 43 8.849 -16.131 21.482 1.00 2.29 H ATOM 592 HE21 GLN A 43 6.989 -18.290 19.264 1.00 2.48 H ATOM 593 HE22 GLN A 43 5.911 -18.830 20.458 1.00 2.27 H ATOM 594 N THR A 44 10.844 -15.289 18.510 1.00 0.70 N ATOM 595 CA THR A 44 12.203 -15.820 18.412 1.00 0.77 C ATOM 596 C THR A 44 13.089 -14.602 18.238 1.00 0.61 C ATOM 597 O THR A 44 13.518 -14.273 17.132 1.00 0.50 O ATOM 598 CB THR A 44 12.316 -16.718 17.176 1.00 0.80 C ATOM 599 OG1 THR A 44 11.209 -17.598 17.245 1.00 1.19 O ATOM 600 CG2 THR A 44 13.542 -17.631 17.277 1.00 1.19 C ATOM 601 H THR A 44 10.307 -15.180 17.694 1.00 0.62 H ATOM 602 HA THR A 44 12.463 -16.341 19.329 1.00 0.93 H ATOM 603 HB THR A 44 12.297 -16.143 16.257 1.00 0.73 H ATOM 604 HG1 THR A 44 11.502 -18.466 16.956 1.00 1.61 H ATOM 605 HG21 THR A 44 14.180 -17.298 18.082 1.00 1.09 H ATOM 606 HG22 THR A 44 13.226 -18.645 17.471 1.00 1.55 H ATOM 607 HG23 THR A 44 14.096 -17.602 16.350 1.00 1.51 H ATOM 608 N ARG A 45 13.245 -13.908 19.338 1.00 0.64 N ATOM 609 CA ARG A 45 14.077 -12.685 19.352 1.00 0.53 C ATOM 610 C ARG A 45 15.514 -13.037 19.620 1.00 0.60 C ATOM 611 O ARG A 45 15.829 -13.663 20.612 1.00 0.84 O ATOM 612 CB ARG A 45 13.561 -11.743 20.467 1.00 0.65 C ATOM 613 CG ARG A 45 14.499 -10.539 20.602 1.00 1.14 C ATOM 614 CD ARG A 45 13.876 -9.498 21.539 1.00 1.15 C ATOM 615 NE ARG A 45 14.354 -9.762 22.926 1.00 1.10 N ATOM 616 CZ ARG A 45 13.500 -9.758 23.912 1.00 1.57 C ATOM 617 NH1 ARG A 45 12.562 -8.851 23.929 1.00 2.15 N ATOM 618 NH2 ARG A 45 13.613 -10.663 24.846 1.00 1.98 N ATOM 619 H ARG A 45 12.804 -14.203 20.161 1.00 0.76 H ATOM 620 HA ARG A 45 14.029 -12.213 18.397 1.00 0.38 H ATOM 621 HB2 ARG A 45 12.568 -11.394 20.224 1.00 0.93 H ATOM 622 HB3 ARG A 45 13.523 -12.277 21.403 1.00 1.13 H ATOM 623 HG2 ARG A 45 15.440 -10.860 21.011 1.00 1.51 H ATOM 624 HG3 ARG A 45 14.669 -10.098 19.632 1.00 1.38 H ATOM 625 HD2 ARG A 45 14.181 -8.509 21.238 1.00 1.56 H ATOM 626 HD3 ARG A 45 12.799 -9.560 21.510 1.00 1.44 H ATOM 627 HE ARG A 45 15.303 -9.938 23.096 1.00 1.55 H ATOM 628 HH11 ARG A 45 12.506 -8.175 23.194 1.00 2.10 H ATOM 629 HH12 ARG A 45 11.899 -8.831 24.678 1.00 2.89 H ATOM 630 HH21 ARG A 45 14.344 -11.344 24.798 1.00 1.79 H ATOM 631 HH22 ARG A 45 12.969 -10.676 25.611 1.00 2.74 H ATOM 632 N ASP A 46 16.361 -12.664 18.706 1.00 0.44 N ATOM 633 CA ASP A 46 17.782 -12.976 18.913 1.00 0.59 C ATOM 634 C ASP A 46 18.357 -11.984 19.922 1.00 0.72 C ATOM 635 O ASP A 46 19.419 -11.420 19.748 1.00 0.87 O ATOM 636 CB ASP A 46 18.520 -12.889 17.564 1.00 0.54 C ATOM 637 CG ASP A 46 18.780 -14.305 17.044 1.00 1.03 C ATOM 638 OD1 ASP A 46 19.756 -14.878 17.499 1.00 1.61 O ATOM 639 OD2 ASP A 46 17.987 -14.734 16.221 1.00 1.21 O ATOM 640 H ASP A 46 16.056 -12.205 17.890 1.00 0.28 H ATOM 641 HA ASP A 46 17.834 -13.967 19.332 1.00 0.76 H ATOM 642 HB2 ASP A 46 17.914 -12.353 16.849 1.00 0.56 H ATOM 643 HB3 ASP A 46 19.464 -12.381 17.683 1.00 0.92 H ATOM 644 N LEU A 47 17.610 -11.809 20.974 1.00 0.80 N ATOM 645 CA LEU A 47 18.018 -10.878 22.052 1.00 1.01 C ATOM 646 C LEU A 47 18.636 -9.620 21.484 1.00 1.08 C ATOM 647 O LEU A 47 18.406 -9.266 20.344 1.00 1.98 O ATOM 648 CB LEU A 47 19.040 -11.576 22.961 1.00 1.27 C ATOM 649 CG LEU A 47 18.427 -12.858 23.527 1.00 1.41 C ATOM 650 CD1 LEU A 47 19.306 -14.048 23.137 1.00 1.64 C ATOM 651 CD2 LEU A 47 18.372 -12.754 25.053 1.00 1.87 C ATOM 652 H LEU A 47 16.776 -12.305 21.057 1.00 0.79 H ATOM 653 HA LEU A 47 17.131 -10.583 22.609 1.00 1.05 H ATOM 654 HB2 LEU A 47 19.925 -11.818 22.392 1.00 1.50 H ATOM 655 HB3 LEU A 47 19.311 -10.921 23.774 1.00 1.51 H ATOM 656 HG LEU A 47 17.431 -12.992 23.132 1.00 1.65 H ATOM 657 HD11 LEU A 47 20.302 -13.910 23.533 1.00 1.90 H ATOM 658 HD12 LEU A 47 18.886 -14.958 23.540 1.00 1.67 H ATOM 659 HD13 LEU A 47 19.359 -14.126 22.061 1.00 2.02 H ATOM 660 HD21 LEU A 47 17.838 -11.860 25.339 1.00 1.96 H ATOM 661 HD22 LEU A 47 17.864 -13.617 25.459 1.00 2.32 H ATOM 662 HD23 LEU A 47 19.375 -12.713 25.452 1.00 2.00 H ATOM 663 N ARG A 48 19.413 -8.967 22.291 1.00 1.32 N ATOM 664 CA ARG A 48 20.049 -7.731 21.820 1.00 1.34 C ATOM 665 C ARG A 48 21.170 -8.006 20.837 1.00 1.28 C ATOM 666 O ARG A 48 22.143 -8.668 21.142 1.00 1.70 O ATOM 667 CB ARG A 48 20.573 -6.971 23.036 1.00 1.65 C ATOM 668 CG ARG A 48 19.372 -6.357 23.769 1.00 1.87 C ATOM 669 CD ARG A 48 18.513 -7.459 24.398 1.00 2.47 C ATOM 670 NE ARG A 48 17.770 -6.880 25.555 1.00 3.46 N ATOM 671 CZ ARG A 48 17.096 -7.668 26.349 1.00 4.04 C ATOM 672 NH1 ARG A 48 17.700 -8.192 27.379 1.00 4.88 N ATOM 673 NH2 ARG A 48 15.839 -7.901 26.090 1.00 4.20 N ATOM 674 H ARG A 48 19.572 -9.291 23.201 1.00 2.05 H ATOM 675 HA ARG A 48 19.300 -7.156 21.307 1.00 1.37 H ATOM 676 HB2 ARG A 48 21.103 -7.646 23.693 1.00 1.82 H ATOM 677 HB3 ARG A 48 21.243 -6.188 22.715 1.00 1.65 H ATOM 678 HG2 ARG A 48 19.720 -5.683 24.537 1.00 2.59 H ATOM 679 HG3 ARG A 48 18.769 -5.808 23.066 1.00 2.30 H ATOM 680 HD2 ARG A 48 17.803 -7.830 23.668 1.00 2.99 H ATOM 681 HD3 ARG A 48 19.136 -8.270 24.742 1.00 2.68 H ATOM 682 HE ARG A 48 17.787 -5.913 25.717 1.00 4.17 H ATOM 683 HH11 ARG A 48 18.664 -7.988 27.551 1.00 4.95 H ATOM 684 HH12 ARG A 48 17.199 -8.797 27.997 1.00 5.62 H ATOM 685 HH21 ARG A 48 15.405 -7.478 25.294 1.00 3.65 H ATOM 686 HH22 ARG A 48 15.308 -8.501 26.688 1.00 5.11 H ATOM 687 N TRP A 49 20.991 -7.471 19.666 1.00 1.31 N ATOM 688 CA TRP A 49 21.998 -7.652 18.602 1.00 1.39 C ATOM 689 C TRP A 49 21.821 -6.582 17.536 1.00 1.64 C ATOM 690 O TRP A 49 22.768 -6.019 17.028 1.00 2.20 O ATOM 691 CB TRP A 49 21.778 -9.068 17.989 1.00 1.35 C ATOM 692 CG TRP A 49 20.804 -9.077 16.774 1.00 1.41 C ATOM 693 CD1 TRP A 49 19.562 -9.654 16.750 1.00 1.32 C ATOM 694 CD2 TRP A 49 21.134 -8.717 15.521 1.00 1.82 C ATOM 695 NE1 TRP A 49 19.226 -9.619 15.468 1.00 1.74 N ATOM 696 CE2 TRP A 49 20.130 -9.057 14.636 1.00 2.05 C ATOM 697 CE3 TRP A 49 22.267 -8.103 15.041 1.00 2.19 C ATOM 698 CZ2 TRP A 49 20.266 -8.782 13.287 1.00 2.57 C ATOM 699 CZ3 TRP A 49 22.406 -7.828 13.698 1.00 2.69 C ATOM 700 CH2 TRP A 49 21.405 -8.168 12.820 1.00 2.84 C ATOM 701 H TRP A 49 20.187 -6.939 19.494 1.00 1.61 H ATOM 702 HA TRP A 49 22.989 -7.566 19.033 1.00 1.48 H ATOM 703 HB2 TRP A 49 22.730 -9.462 17.667 1.00 1.64 H ATOM 704 HB3 TRP A 49 21.380 -9.720 18.752 1.00 1.22 H ATOM 705 HD1 TRP A 49 18.940 -10.005 17.572 1.00 1.05 H ATOM 706 HE1 TRP A 49 18.394 -10.009 15.145 1.00 1.91 H ATOM 707 HE3 TRP A 49 23.042 -7.836 15.711 1.00 2.20 H ATOM 708 HZ2 TRP A 49 19.479 -9.041 12.599 1.00 2.84 H ATOM 709 HZ3 TRP A 49 23.301 -7.343 13.336 1.00 3.02 H ATOM 710 HH2 TRP A 49 21.515 -7.959 11.766 1.00 3.27 H ATOM 711 N TRP A 50 20.598 -6.285 17.291 1.00 1.61 N ATOM 712 CA TRP A 50 20.237 -5.270 16.279 1.00 1.94 C ATOM 713 C TRP A 50 19.940 -3.867 16.817 1.00 2.04 C ATOM 714 O TRP A 50 20.820 -3.061 17.045 1.00 1.96 O ATOM 715 CB TRP A 50 18.959 -5.830 15.726 1.00 2.26 C ATOM 716 CG TRP A 50 17.973 -6.273 16.876 1.00 2.01 C ATOM 717 CD1 TRP A 50 16.880 -7.004 16.603 1.00 2.28 C ATOM 718 CD2 TRP A 50 18.017 -5.991 18.238 1.00 1.91 C ATOM 719 NE1 TRP A 50 16.292 -7.175 17.784 1.00 1.98 N ATOM 720 CE2 TRP A 50 16.900 -6.591 18.831 1.00 1.60 C ATOM 721 CE3 TRP A 50 18.785 -5.162 19.077 1.00 2.45 C ATOM 722 CZ2 TRP A 50 16.579 -6.375 20.166 1.00 1.57 C ATOM 723 CZ3 TRP A 50 18.432 -4.935 20.379 1.00 2.62 C ATOM 724 CH2 TRP A 50 17.333 -5.539 20.922 1.00 2.15 C ATOM 725 H TRP A 50 19.886 -6.744 17.782 1.00 1.77 H ATOM 726 HA TRP A 50 20.997 -5.225 15.511 1.00 2.10 H ATOM 727 HB2 TRP A 50 18.478 -5.097 15.097 1.00 2.66 H ATOM 728 HB3 TRP A 50 19.215 -6.698 15.131 1.00 2.41 H ATOM 729 HD1 TRP A 50 16.439 -7.147 15.640 1.00 3.05 H ATOM 730 HE1 TRP A 50 15.464 -7.691 17.883 1.00 2.24 H ATOM 731 HE3 TRP A 50 19.726 -4.798 18.769 1.00 2.88 H ATOM 732 HZ2 TRP A 50 15.824 -6.971 20.655 1.00 1.42 H ATOM 733 HZ3 TRP A 50 18.996 -4.220 20.953 1.00 3.19 H ATOM 734 HH2 TRP A 50 17.016 -5.296 21.921 1.00 2.38 H ATOM 735 N GLU A 51 18.668 -3.641 17.002 1.00 2.52 N ATOM 736 CA GLU A 51 18.164 -2.357 17.518 1.00 3.00 C ATOM 737 C GLU A 51 18.582 -2.123 18.977 1.00 2.78 C ATOM 738 O GLU A 51 19.621 -2.578 19.408 1.00 3.26 O ATOM 739 CB GLU A 51 16.632 -2.453 17.408 1.00 3.82 C ATOM 740 CG GLU A 51 16.088 -1.197 16.721 1.00 4.48 C ATOM 741 CD GLU A 51 16.362 0.021 17.605 1.00 4.75 C ATOM 742 OE1 GLU A 51 17.456 0.545 17.480 1.00 5.10 O ATOM 743 OE2 GLU A 51 15.462 0.357 18.357 1.00 4.94 O ATOM 744 H GLU A 51 18.025 -4.337 16.781 1.00 2.67 H ATOM 745 HA GLU A 51 18.550 -1.562 16.919 1.00 3.47 H ATOM 746 HB2 GLU A 51 16.371 -3.340 16.821 1.00 4.06 H ATOM 747 HB3 GLU A 51 16.196 -2.548 18.390 1.00 3.95 H ATOM 748 HG2 GLU A 51 16.572 -1.060 15.765 1.00 4.76 H ATOM 749 HG3 GLU A 51 15.023 -1.294 16.570 1.00 5.03 H ATOM 750 N LEU A 52 17.780 -1.388 19.702 1.00 3.01 N ATOM 751 CA LEU A 52 18.120 -1.117 21.126 1.00 3.51 C ATOM 752 C LEU A 52 16.855 -0.856 21.942 1.00 3.79 C ATOM 753 O LEU A 52 16.333 0.242 21.947 1.00 4.28 O ATOM 754 CB LEU A 52 19.004 0.139 21.176 1.00 4.11 C ATOM 755 CG LEU A 52 20.442 -0.246 21.550 1.00 4.61 C ATOM 756 CD1 LEU A 52 21.387 0.892 21.154 1.00 4.87 C ATOM 757 CD2 LEU A 52 20.536 -0.460 23.064 1.00 5.42 C ATOM 758 H LEU A 52 16.964 -1.014 19.310 1.00 3.36 H ATOM 759 HA LEU A 52 18.634 -1.978 21.538 1.00 3.60 H ATOM 760 HB2 LEU A 52 19.000 0.618 20.208 1.00 4.22 H ATOM 761 HB3 LEU A 52 18.612 0.827 21.910 1.00 4.46 H ATOM 762 HG LEU A 52 20.729 -1.149 21.033 1.00 4.77 H ATOM 763 HD11 LEU A 52 20.922 1.844 21.368 1.00 5.27 H ATOM 764 HD12 LEU A 52 22.307 0.812 21.715 1.00 5.18 H ATOM 765 HD13 LEU A 52 21.609 0.834 20.098 1.00 4.90 H ATOM 766 HD21 LEU A 52 19.846 -1.231 23.371 1.00 5.77 H ATOM 767 HD22 LEU A 52 21.541 -0.755 23.327 1.00 5.70 H ATOM 768 HD23 LEU A 52 20.291 0.458 23.575 1.00 5.72 H ATOM 769 N ARG A 53 16.389 -1.872 22.619 1.00 4.10 N ATOM 770 CA ARG A 53 15.162 -1.703 23.440 1.00 4.56 C ATOM 771 C ARG A 53 14.011 -1.181 22.585 1.00 4.94 C ATOM 772 O ARG A 53 13.067 -0.691 23.184 1.00 4.95 O ATOM 773 CB ARG A 53 15.456 -0.688 24.553 1.00 4.54 C ATOM 774 CG ARG A 53 14.561 -0.990 25.760 1.00 5.23 C ATOM 775 CD ARG A 53 14.548 0.221 26.698 1.00 5.27 C ATOM 776 NE ARG A 53 15.932 0.458 27.198 1.00 5.84 N ATOM 777 CZ ARG A 53 16.539 1.575 26.900 1.00 6.41 C ATOM 778 NH1 ARG A 53 15.912 2.706 27.090 1.00 6.85 N ATOM 779 NH2 ARG A 53 17.752 1.523 26.421 1.00 6.63 N ATOM 780 OXT ARG A 53 14.137 -1.303 21.378 1.00 5.51 O ATOM 781 H ARG A 53 16.845 -2.738 22.586 1.00 4.22 H ATOM 782 HA ARG A 53 14.882 -2.665 23.857 1.00 4.84 H ATOM 783 HB2 ARG A 53 16.494 -0.762 24.844 1.00 4.18 H ATOM 784 HB3 ARG A 53 15.259 0.311 24.194 1.00 4.71 H ATOM 785 HG2 ARG A 53 13.556 -1.199 25.426 1.00 5.75 H ATOM 786 HG3 ARG A 53 14.943 -1.853 26.287 1.00 5.59 H ATOM 787 HD2 ARG A 53 14.204 1.096 26.167 1.00 5.24 H ATOM 788 HD3 ARG A 53 13.892 0.030 27.536 1.00 5.79 H ATOM 789 HE ARG A 53 16.384 -0.220 27.743 1.00 6.15 H ATOM 790 HH11 ARG A 53 14.983 2.707 27.458 1.00 6.72 H ATOM 791 HH12 ARG A 53 16.361 3.571 26.867 1.00 7.38 H ATOM 792 HH21 ARG A 53 18.200 0.638 26.289 1.00 6.36 H ATOM 793 HH22 ARG A 53 18.233 2.366 26.186 1.00 7.12 H TER 794 ARG A 53 CONECT 75 255 CONECT 182 421 CONECT 255 75 CONECT 421 182 CONECT 445 572 CONECT 572 445 MASTER 180 0 0 0 5 3 0 6 793 1 6 5 END