USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 hets) 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 *** CYS A 6 CYS A 20 1555 1555 2.01 SSBOND *** CYS A 14 CYS A 31 1555 1555 2.02 SSBOND *** 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 130:sc= 1.31 USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0.957 USER MOD Set 2.1: A 21 MET CE :methyl -167:sc= -0.25 (180deg=-0.799) USER MOD Set 2.2: A 32 ASN : amide:sc= 0.729 K(o=0.48,f=-0.8) USER MOD Single : A 1 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 1 ASN N :NH3+ -161:sc= 0 (180deg=-0.243) USER MOD Single : A 2 SER OG : rot 73:sc= 0.561 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.113 USER MOD Single : A 9 SER OG : rot 180:sc= 0.058 USER MOD Single : A 10 TYR OH : rot -68:sc= 0.478 USER MOD Single : A 16 ASN : amide:sc= -3.4! C(o=-3.4!,f=-5.4!) USER MOD Single : A 22 HIS : no HE2:sc= -3.82 X(o=-3.8,f=-3.7!) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00907 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -25:sc= -0.433! USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- 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 0 H1 ASN A 1 -0.334 0.407 -0.897 1.00 4.61 H new ATOM 0 H2 ASN A 1 -0.008 0.734 0.737 1.00 4.61 H new ATOM 0 H3 ASN A 1 0.969 -0.358 -0.122 1.00 4.61 H new ATOM 0 HA ASN A 1 -1.924 -0.827 0.195 1.00 3.77 H new ATOM 0 HB2 ASN A 1 0.443 -2.751 -0.083 1.00 4.83 H new ATOM 0 HB3 ASN A 1 -1.255 -3.174 -0.171 1.00 4.83 H new ATOM 0 HD21 ASN A 1 -1.645 -1.384 -3.428 1.00 5.81 H new ATOM 0 HD22 ASN A 1 -2.463 -1.458 -1.864 1.00 5.81 H new 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 0 H SER A 2 1.336 -1.461 1.728 1.00 2.63 H new ATOM 0 HA SER A 2 -0.044 -2.468 4.127 1.00 1.99 H new ATOM 0 HB2 SER A 2 2.363 -2.724 4.916 1.00 2.22 H new ATOM 0 HB3 SER A 2 2.137 -3.465 3.345 1.00 2.22 H new ATOM 0 HG SER A 2 3.155 -0.831 3.919 1.00 3.00 H new 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 0 H TYR A 3 -1.211 -0.130 4.120 1.00 1.55 H new ATOM 0 HA TYR A 3 0.506 1.971 5.213 1.00 1.33 H new ATOM 0 HB2 TYR A 3 -2.424 1.498 4.567 1.00 1.71 H new ATOM 0 HB3 TYR A 3 -2.065 2.763 5.726 1.00 1.71 H new ATOM 0 HD1 TYR A 3 -0.896 1.555 2.364 1.00 2.52 H new ATOM 0 HD2 TYR A 3 -1.563 4.907 4.896 1.00 2.20 H new ATOM 0 HE1 TYR A 3 -0.319 3.064 0.520 1.00 3.34 H new ATOM 0 HE2 TYR A 3 -0.986 6.416 3.051 1.00 2.98 H new ATOM 0 HH TYR A 3 -0.369 6.619 0.926 1.00 4.46 H new 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 0 HA PRO A 4 0.236 0.903 9.510 1.00 0.86 H new ATOM 0 HB2 PRO A 4 -0.466 3.562 10.441 1.00 1.06 H new ATOM 0 HB3 PRO A 4 1.134 2.846 10.457 1.00 1.06 H new ATOM 0 HG2 PRO A 4 0.133 4.947 8.685 1.00 1.24 H new ATOM 0 HG3 PRO A 4 1.765 4.319 8.785 1.00 1.24 H new ATOM 0 HD2 PRO A 4 -0.105 3.857 6.657 1.00 1.16 H new ATOM 0 HD3 PRO A 4 1.463 3.098 6.841 1.00 1.16 H new 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 0 H GLY A 5 -1.551 -0.371 9.928 1.00 0.67 H new ATOM 0 HA2 GLY A 5 -4.009 1.169 10.626 1.00 0.58 H new ATOM 0 HA3 GLY A 5 -4.145 -0.061 9.385 1.00 0.58 H new 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 0 H CYS A 6 -4.643 0.430 12.681 1.00 0.42 H new ATOM 0 HA CYS A 6 -4.906 -2.389 13.133 1.00 0.60 H new ATOM 0 HB2 CYS A 6 -3.029 -2.561 14.804 1.00 0.77 H new ATOM 0 HB3 CYS A 6 -2.405 -2.221 13.202 1.00 0.77 H new 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 0 HA PRO A 7 -7.535 -0.123 16.048 1.00 0.80 H new ATOM 0 HB2 PRO A 7 -8.076 -2.816 17.216 1.00 0.93 H new ATOM 0 HB3 PRO A 7 -9.224 -1.703 16.498 1.00 0.93 H new ATOM 0 HG2 PRO A 7 -8.305 -4.088 15.278 1.00 1.01 H new ATOM 0 HG3 PRO A 7 -9.134 -2.791 14.441 1.00 1.01 H new ATOM 0 HD2 PRO A 7 -6.308 -3.556 14.231 1.00 0.77 H new ATOM 0 HD3 PRO A 7 -7.183 -2.388 13.260 1.00 0.77 H new 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 0 H SER A 8 -8.002 -0.732 18.642 1.00 1.14 H new ATOM 0 HA SER A 8 -5.438 -0.025 19.725 1.00 1.37 H new ATOM 0 HB2 SER A 8 -6.946 -0.608 21.935 1.00 1.48 H new ATOM 0 HB3 SER A 8 -7.290 0.829 20.992 1.00 1.48 H new ATOM 0 HG SER A 8 -9.178 -0.564 21.189 1.00 2.08 H new 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 0 H SER A 9 -7.388 -3.102 19.958 1.00 1.24 H new ATOM 0 HA SER A 9 -5.808 -4.451 21.779 1.00 1.37 H new ATOM 0 HB2 SER A 9 -6.344 -6.456 19.977 1.00 1.47 H new ATOM 0 HB3 SER A 9 -7.635 -5.738 20.920 1.00 1.47 H new ATOM 0 HG SER A 9 -8.049 -5.588 18.605 1.00 1.97 H new 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 0 H TYR A 10 -4.628 -3.112 18.834 1.00 0.96 H new ATOM 0 HA TYR A 10 -2.379 -5.100 18.764 1.00 1.02 H new ATOM 0 HB2 TYR A 10 -3.664 -3.068 16.878 1.00 1.15 H new ATOM 0 HB3 TYR A 10 -2.016 -3.586 16.587 1.00 1.15 H new ATOM 0 HD1 TYR A 10 -1.604 -6.157 16.718 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -5.446 -4.475 16.112 1.00 0.67 H new ATOM 0 HE1 TYR A 10 -2.415 -8.337 15.990 1.00 0.65 H new ATOM 0 HE2 TYR A 10 -6.282 -6.657 15.353 1.00 0.99 H new ATOM 0 HH TYR A 10 -4.442 -9.104 14.327 1.00 1.50 H new 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 0 H ASP A 11 -2.190 -3.662 21.046 1.00 0.96 H new ATOM 0 HA ASP A 11 -0.050 -1.686 20.321 1.00 1.08 H new ATOM 0 HB2 ASP A 11 -2.186 -0.608 21.195 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -2.045 -1.575 22.649 1.00 1.00 H new 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 0 H GLY A 12 -0.687 -4.731 21.480 1.00 0.89 H new ATOM 0 HA2 GLY A 12 1.826 -4.760 22.988 1.00 1.07 H new ATOM 0 HA3 GLY A 12 0.413 -5.000 23.995 1.00 1.07 H new 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 0 H TYR A 13 -0.432 -6.105 20.869 1.00 0.67 H new ATOM 0 HA TYR A 13 -0.547 -8.830 21.705 1.00 0.60 H new ATOM 0 HB2 TYR A 13 -1.819 -8.777 19.825 1.00 0.64 H new ATOM 0 HB3 TYR A 13 -1.185 -7.199 19.401 1.00 0.64 H new ATOM 0 HD1 TYR A 13 0.002 -10.796 19.346 1.00 0.80 H new ATOM 0 HD2 TYR A 13 -0.098 -7.027 17.395 1.00 0.74 H new ATOM 0 HE1 TYR A 13 1.023 -11.797 17.350 1.00 1.04 H new ATOM 0 HE2 TYR A 13 0.878 -8.019 15.402 1.00 0.96 H new ATOM 0 HH TYR A 13 1.065 -10.291 14.325 1.00 1.40 H new 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 0 H CYS A 14 2.083 -6.904 20.221 1.00 0.61 H new ATOM 0 HA CYS A 14 3.639 -9.446 19.988 1.00 0.83 H new ATOM 0 HB2 CYS A 14 4.777 -6.858 19.067 1.00 1.10 H new ATOM 0 HB3 CYS A 14 4.776 -8.417 18.268 1.00 1.10 H new 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 0 H LEU A 15 5.499 -9.803 21.257 1.00 0.86 H new ATOM 0 HA LEU A 15 5.826 -7.948 23.493 1.00 0.89 H new ATOM 0 HB2 LEU A 15 7.886 -10.060 22.927 1.00 0.94 H new ATOM 0 HB3 LEU A 15 7.066 -9.693 24.432 1.00 0.94 H new ATOM 0 HG LEU A 15 4.935 -10.639 23.019 1.00 0.98 H new ATOM 0 HD11 LEU A 15 5.691 -12.590 21.685 1.00 0.89 H new ATOM 0 HD12 LEU A 15 6.328 -11.075 21.003 1.00 0.89 H new ATOM 0 HD13 LEU A 15 7.387 -12.131 21.968 1.00 0.89 H new ATOM 0 HD21 LEU A 15 5.379 -12.804 24.166 1.00 1.46 H new ATOM 0 HD22 LEU A 15 7.078 -12.329 24.404 1.00 1.46 H new ATOM 0 HD23 LEU A 15 5.779 -11.435 25.230 1.00 1.46 H new 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 0 H ASN A 16 7.287 -8.606 20.348 1.00 0.89 H new ATOM 0 HA ASN A 16 9.719 -7.018 20.986 1.00 0.82 H new ATOM 0 HB2 ASN A 16 8.852 -8.075 18.264 1.00 0.81 H new ATOM 0 HB3 ASN A 16 10.470 -8.009 18.935 1.00 0.81 H new ATOM 0 HD21 ASN A 16 10.165 -11.146 20.712 1.00 1.06 H new ATOM 0 HD22 ASN A 16 11.100 -9.656 20.550 1.00 1.06 H new 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 0 H GLY A 17 10.321 -5.557 18.808 1.00 1.13 H new ATOM 0 HA2 GLY A 17 8.761 -3.246 19.027 1.00 1.24 H new ATOM 0 HA3 GLY A 17 9.704 -3.664 17.611 1.00 1.24 H new 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 0 H GLY A 18 8.643 -4.571 15.712 1.00 0.74 H new ATOM 0 HA2 GLY A 18 6.768 -5.528 14.645 1.00 1.03 H new ATOM 0 HA3 GLY A 18 5.782 -5.260 16.068 1.00 1.03 H new 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 0 H VAL A 19 5.697 -4.505 13.014 1.00 0.71 H new ATOM 0 HA VAL A 19 5.086 -1.605 13.454 1.00 0.61 H new ATOM 0 HB VAL A 19 5.831 -3.107 10.893 1.00 0.56 H new ATOM 0 HG11 VAL A 19 6.036 -0.805 10.008 1.00 0.70 H new ATOM 0 HG12 VAL A 19 4.392 -1.094 10.626 1.00 0.70 H new ATOM 0 HG13 VAL A 19 5.551 -0.147 11.589 1.00 0.70 H new ATOM 0 HG21 VAL A 19 8.011 -1.953 11.125 1.00 0.69 H new ATOM 0 HG22 VAL A 19 7.491 -1.269 12.684 1.00 0.69 H new ATOM 0 HG23 VAL A 19 7.720 -3.025 12.516 1.00 0.69 H new 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 0 H CYS A 20 2.956 -1.739 14.062 1.00 0.70 H new ATOM 0 HA CYS A 20 1.069 -3.573 13.080 1.00 0.60 H new ATOM 0 HB2 CYS A 20 -0.097 -2.345 14.607 1.00 0.79 H new ATOM 0 HB3 CYS A 20 1.300 -1.296 14.743 1.00 0.79 H new 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 0 H MET A 21 -0.205 -3.931 11.426 1.00 0.38 H new ATOM 0 HA MET A 21 -0.511 -1.727 9.463 1.00 0.48 H new ATOM 0 HB2 MET A 21 -0.007 -4.550 8.465 1.00 0.55 H new ATOM 0 HB3 MET A 21 0.314 -3.033 7.649 1.00 0.55 H new ATOM 0 HG2 MET A 21 2.098 -2.601 9.443 1.00 0.50 H new ATOM 0 HG3 MET A 21 1.875 -4.267 9.939 1.00 0.50 H new ATOM 0 HE1 MET A 21 2.686 -5.951 6.370 1.00 1.87 H new ATOM 0 HE2 MET A 21 1.542 -5.971 7.733 1.00 1.87 H new ATOM 0 HE3 MET A 21 1.311 -4.820 6.395 1.00 1.87 H new 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 0 H HIS A 22 -2.179 -2.457 7.684 1.00 0.57 H new ATOM 0 HA HIS A 22 -4.264 -4.109 9.068 1.00 0.65 H new ATOM 0 HB2 HIS A 22 -5.352 -2.043 8.803 1.00 0.84 H new ATOM 0 HB3 HIS A 22 -4.237 -1.508 7.562 1.00 0.84 H new ATOM 0 HD1 HIS A 22 -7.387 -3.403 7.966 1.00 1.88 H new ATOM 0 HD2 HIS A 22 -4.900 -2.291 4.896 1.00 2.26 H new ATOM 0 HE1 HIS A 22 -8.620 -3.839 5.879 1.00 2.45 H new 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 0 H ILE A 23 -2.486 -3.417 6.023 1.00 1.32 H new ATOM 0 HA ILE A 23 -2.373 -4.593 4.082 1.00 1.43 H new ATOM 0 HB ILE A 23 -3.383 -6.890 5.842 1.00 1.52 H new ATOM 0 HG12 ILE A 23 -0.502 -6.546 5.046 1.00 1.60 H new ATOM 0 HG13 ILE A 23 -1.113 -5.463 6.282 1.00 1.60 H new ATOM 0 HG21 ILE A 23 -2.261 -8.313 4.114 1.00 1.94 H new ATOM 0 HG22 ILE A 23 -3.541 -7.320 3.375 1.00 1.94 H new ATOM 0 HG23 ILE A 23 -1.833 -6.852 3.193 1.00 1.94 H new ATOM 0 HD11 ILE A 23 -0.204 -7.537 7.305 1.00 1.45 H new ATOM 0 HD12 ILE A 23 -1.956 -7.415 7.594 1.00 1.45 H new ATOM 0 HD13 ILE A 23 -1.336 -8.514 6.339 1.00 1.45 H new 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 0 H GLU A 24 -3.604 -4.735 2.225 1.00 2.19 H new ATOM 0 HA GLU A 24 -6.360 -4.126 2.389 1.00 2.20 H new ATOM 0 HB2 GLU A 24 -4.416 -4.341 0.405 1.00 3.20 H new ATOM 0 HB3 GLU A 24 -5.404 -5.743 0.047 1.00 3.20 H new ATOM 0 HG2 GLU A 24 -7.464 -4.236 0.129 1.00 3.66 H new ATOM 0 HG3 GLU A 24 -6.397 -2.859 0.318 1.00 3.66 H new 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 0 H SER A 25 -7.525 -6.038 0.497 1.00 3.24 H new ATOM 0 HA SER A 25 -8.746 -7.971 0.628 1.00 3.81 H new ATOM 0 HB2 SER A 25 -6.550 -9.151 2.413 1.00 4.76 H new ATOM 0 HB3 SER A 25 -7.493 -9.971 1.184 1.00 4.76 H new ATOM 0 HG SER A 25 -5.380 -9.314 0.377 1.00 5.54 H new 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 0 H LEU A 26 -8.032 -9.745 3.298 1.00 3.39 H new ATOM 0 HA LEU A 26 -10.316 -8.516 4.730 1.00 3.65 H new ATOM 0 HB2 LEU A 26 -8.817 -11.151 4.700 1.00 4.63 H new ATOM 0 HB3 LEU A 26 -9.628 -10.711 6.190 1.00 4.63 H new ATOM 0 HG LEU A 26 -11.777 -10.450 5.018 1.00 5.50 H new ATOM 0 HD11 LEU A 26 -11.940 -10.911 2.585 1.00 5.64 H new ATOM 0 HD12 LEU A 26 -10.856 -9.535 2.899 1.00 5.64 H new ATOM 0 HD13 LEU A 26 -10.176 -11.133 2.508 1.00 5.64 H new ATOM 0 HD21 LEU A 26 -12.081 -12.789 4.233 1.00 6.06 H new ATOM 0 HD22 LEU A 26 -10.315 -12.989 4.144 1.00 6.06 H new ATOM 0 HD23 LEU A 26 -11.104 -12.742 5.720 1.00 6.06 H new 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 0 H ASP A 27 -9.961 -9.018 7.354 1.00 3.08 H new ATOM 0 HA ASP A 27 -8.491 -6.912 8.323 1.00 2.81 H new ATOM 0 HB2 ASP A 27 -8.905 -9.726 9.504 1.00 3.19 H new ATOM 0 HB3 ASP A 27 -8.342 -8.368 10.458 1.00 3.19 H new 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 0 H SER A 28 -7.047 -9.848 9.617 1.00 1.99 H new ATOM 0 HA SER A 28 -4.896 -10.627 9.493 1.00 1.87 H new ATOM 0 HB2 SER A 28 -5.254 -9.782 6.887 1.00 2.16 H new ATOM 0 HB3 SER A 28 -3.997 -8.663 7.374 1.00 2.16 H new ATOM 0 HG SER A 28 -3.111 -10.738 6.699 1.00 2.26 H new 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 0 H TYR A 29 -5.912 -7.879 10.768 1.00 0.93 H new ATOM 0 HA TYR A 29 -3.848 -6.048 10.883 1.00 0.70 H new ATOM 0 HB2 TYR A 29 -5.540 -7.209 13.178 1.00 0.72 H new ATOM 0 HB3 TYR A 29 -4.639 -5.711 13.299 1.00 0.72 H new ATOM 0 HD1 TYR A 29 -5.118 -3.980 11.308 1.00 0.71 H new ATOM 0 HD2 TYR A 29 -7.781 -7.085 12.469 1.00 0.84 H new ATOM 0 HE1 TYR A 29 -6.983 -2.759 10.291 1.00 0.77 H new ATOM 0 HE2 TYR A 29 -9.648 -5.865 11.446 1.00 0.88 H new ATOM 0 HH TYR A 29 -10.318 -4.054 10.334 1.00 0.92 H new 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 0 H THR A 30 -1.669 -6.074 11.495 1.00 0.52 H new ATOM 0 HA THR A 30 -0.894 -7.695 13.779 1.00 0.55 H new ATOM 0 HB THR A 30 -1.128 -9.317 11.705 1.00 0.60 H new ATOM 0 HG1 THR A 30 0.943 -10.274 12.449 1.00 0.70 H new ATOM 0 HG21 THR A 30 0.893 -9.342 10.254 1.00 0.80 H new ATOM 0 HG22 THR A 30 0.045 -7.786 10.093 1.00 0.80 H new ATOM 0 HG23 THR A 30 1.517 -7.898 11.086 1.00 0.80 H new 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 0 H CYS A 31 1.650 -7.748 13.928 1.00 0.65 H new ATOM 0 HA CYS A 31 2.571 -5.078 12.916 1.00 0.68 H new ATOM 0 HB2 CYS A 31 3.800 -4.911 14.962 1.00 0.86 H new ATOM 0 HB3 CYS A 31 2.204 -5.470 15.424 1.00 0.86 H new 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 0 H ASN A 32 3.900 -5.348 11.167 1.00 0.63 H new ATOM 0 HA ASN A 32 5.217 -7.712 10.490 1.00 0.62 H new ATOM 0 HB2 ASN A 32 5.063 -5.082 9.544 1.00 0.63 H new ATOM 0 HB3 ASN A 32 6.745 -5.179 10.025 1.00 0.63 H new ATOM 0 HD21 ASN A 32 5.595 -7.026 6.604 1.00 1.50 H new ATOM 0 HD22 ASN A 32 4.582 -5.883 7.491 1.00 1.50 H new 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 0 H CYS A 33 6.867 -8.914 11.377 1.00 0.52 H new ATOM 0 HA CYS A 33 8.150 -8.075 13.788 1.00 0.55 H new ATOM 0 HB2 CYS A 33 8.270 -10.240 11.780 1.00 0.44 H new ATOM 0 HB3 CYS A 33 9.814 -9.926 12.546 1.00 0.44 H new 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 0 H VAL A 34 11.045 -8.741 13.144 1.00 0.66 H new ATOM 0 HA VAL A 34 11.609 -6.423 11.401 1.00 0.80 H new ATOM 0 HB VAL A 34 13.356 -6.161 13.659 1.00 0.96 H new ATOM 0 HG11 VAL A 34 12.133 -4.016 13.981 1.00 1.26 H new ATOM 0 HG12 VAL A 34 12.433 -4.321 12.254 1.00 1.26 H new ATOM 0 HG13 VAL A 34 10.817 -4.612 12.942 1.00 1.26 H new ATOM 0 HG21 VAL A 34 11.754 -5.926 15.541 1.00 0.90 H new ATOM 0 HG22 VAL A 34 10.437 -6.500 14.492 1.00 0.90 H new ATOM 0 HG23 VAL A 34 11.771 -7.596 14.925 1.00 0.90 H new 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 0 H ILE A 35 14.179 -5.942 11.727 1.00 0.90 H new ATOM 0 HA ILE A 35 15.383 -8.249 10.408 1.00 0.97 H new ATOM 0 HB ILE A 35 16.155 -5.425 11.309 1.00 1.17 H new ATOM 0 HG12 ILE A 35 14.565 -5.768 9.343 1.00 1.32 H new ATOM 0 HG13 ILE A 35 15.986 -4.793 9.026 1.00 1.32 H new ATOM 0 HG21 ILE A 35 18.259 -5.716 10.030 1.00 1.29 H new ATOM 0 HG22 ILE A 35 18.158 -6.864 11.386 1.00 1.29 H new ATOM 0 HG23 ILE A 35 17.833 -7.417 9.726 1.00 1.29 H new ATOM 0 HD11 ILE A 35 15.596 -6.400 7.181 1.00 2.09 H new ATOM 0 HD12 ILE A 35 17.129 -6.766 8.008 1.00 2.09 H new ATOM 0 HD13 ILE A 35 15.686 -7.756 8.330 1.00 2.09 H new 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 0 H GLY A 36 15.755 -9.956 11.712 1.00 0.78 H new ATOM 0 HA2 GLY A 36 17.852 -10.567 13.027 1.00 0.72 H new ATOM 0 HA3 GLY A 36 17.372 -9.316 14.157 1.00 0.72 H new 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 0 H TYR A 37 14.392 -10.019 13.537 1.00 0.37 H new ATOM 0 HA TYR A 37 14.389 -12.705 14.634 1.00 0.26 H new ATOM 0 HB2 TYR A 37 13.058 -12.004 16.586 1.00 0.24 H new ATOM 0 HB3 TYR A 37 14.755 -11.569 16.622 1.00 0.24 H new ATOM 0 HD1 TYR A 37 14.191 -8.962 14.714 1.00 0.41 H new ATOM 0 HD2 TYR A 37 12.595 -10.583 18.279 1.00 0.41 H new ATOM 0 HE1 TYR A 37 14.122 -6.732 15.689 1.00 0.59 H new ATOM 0 HE2 TYR A 37 12.555 -8.400 19.294 1.00 0.60 H new ATOM 0 HH TYR A 37 12.903 -6.194 19.030 1.00 0.90 H new 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 0 H SER A 38 12.552 -13.888 14.699 1.00 0.33 H new ATOM 0 HA SER A 38 10.135 -12.598 13.686 1.00 0.40 H new ATOM 0 HB2 SER A 38 11.608 -14.729 11.985 1.00 0.60 H new ATOM 0 HB3 SER A 38 10.108 -13.938 11.542 1.00 0.60 H new ATOM 0 HG SER A 38 11.571 -11.900 12.136 1.00 1.41 H new 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 0 H GLY A 39 8.809 -14.822 12.599 1.00 0.74 H new ATOM 0 HA2 GLY A 39 8.385 -17.166 13.319 1.00 0.94 H new ATOM 0 HA3 GLY A 39 8.750 -16.688 14.965 1.00 0.94 H new 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 0 H ASP A 40 6.537 -17.189 15.788 1.00 1.24 H new ATOM 0 HA ASP A 40 4.165 -16.384 14.538 1.00 1.26 H new ATOM 0 HB2 ASP A 40 4.969 -16.350 17.491 1.00 1.39 H new ATOM 0 HB3 ASP A 40 3.317 -16.155 16.940 1.00 1.39 H new 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 0 H ARG A 41 6.719 -14.485 16.062 1.00 0.83 H new ATOM 0 HA ARG A 41 5.974 -12.035 14.945 1.00 0.71 H new ATOM 0 HB2 ARG A 41 5.149 -10.950 17.204 1.00 0.99 H new ATOM 0 HB3 ARG A 41 3.984 -11.762 16.177 1.00 0.99 H new ATOM 0 HG2 ARG A 41 3.783 -13.609 17.617 1.00 0.77 H new ATOM 0 HG3 ARG A 41 5.416 -13.448 18.232 1.00 0.77 H new ATOM 0 HD2 ARG A 41 4.776 -11.400 19.494 1.00 1.13 H new ATOM 0 HD3 ARG A 41 3.160 -11.459 18.817 1.00 1.13 H new ATOM 0 HE ARG A 41 4.282 -13.427 20.827 1.00 1.21 H new ATOM 0 HH11 ARG A 41 2.271 -14.354 18.614 1.00 1.88 H new ATOM 0 HH12 ARG A 41 0.752 -14.267 19.512 1.00 1.88 H new ATOM 0 HH21 ARG A 41 2.176 -12.306 22.085 1.00 1.68 H new ATOM 0 HH22 ARG A 41 0.697 -13.086 21.513 1.00 1.68 H new 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 0 H CYS A 42 8.401 -13.177 15.135 1.00 0.43 H new ATOM 0 HA CYS A 42 10.522 -12.853 15.936 1.00 0.37 H new ATOM 0 HB2 CYS A 42 10.229 -10.525 17.529 1.00 0.34 H new ATOM 0 HB3 CYS A 42 11.049 -10.747 15.997 1.00 0.34 H new 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 0 H GLN A 43 8.173 -14.117 17.609 1.00 0.60 H new ATOM 0 HA GLN A 43 8.681 -13.723 20.372 1.00 0.76 H new ATOM 0 HB2 GLN A 43 6.949 -15.194 19.923 1.00 0.84 H new ATOM 0 HB3 GLN A 43 7.811 -16.011 18.634 1.00 0.84 H new ATOM 0 HG2 GLN A 43 9.190 -17.237 20.159 1.00 1.68 H new ATOM 0 HG3 GLN A 43 8.874 -16.133 21.482 1.00 1.68 H new ATOM 0 HE21 GLN A 43 7.003 -18.292 19.227 1.00 2.10 H new ATOM 0 HE22 GLN A 43 5.878 -18.851 20.469 1.00 2.10 H new 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 0 H THR A 44 10.348 -15.210 17.622 1.00 0.70 H new ATOM 0 HA THR A 44 12.480 -16.412 19.284 1.00 0.77 H new ATOM 0 HB THR A 44 12.370 -16.103 16.278 1.00 0.80 H new ATOM 0 HG1 THR A 44 11.223 -18.203 16.474 1.00 1.19 H new ATOM 0 HG21 THR A 44 13.602 -18.259 16.388 1.00 1.19 H new ATOM 0 HG22 THR A 44 14.443 -17.023 17.353 1.00 1.19 H new ATOM 0 HG23 THR A 44 13.454 -18.261 18.162 1.00 1.19 H new 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 0 H ARG A 45 12.822 -14.148 20.235 1.00 0.64 H new ATOM 0 HA ARG A 45 14.012 -12.192 18.382 1.00 0.53 H new ATOM 0 HB2 ARG A 45 12.552 -11.405 20.232 1.00 0.65 H new ATOM 0 HB3 ARG A 45 13.505 -12.281 21.414 1.00 0.65 H new ATOM 0 HG2 ARG A 45 15.465 -10.861 20.992 1.00 1.14 H new ATOM 0 HG3 ARG A 45 14.682 -10.097 19.623 1.00 1.14 H new ATOM 0 HD2 ARG A 45 14.156 -8.492 21.227 1.00 1.15 H new ATOM 0 HD3 ARG A 45 12.788 -9.553 21.497 1.00 1.15 H new ATOM 0 HE ARG A 45 15.342 -9.944 23.103 1.00 1.10 H new ATOM 0 HH11 ARG A 45 12.506 -8.161 23.180 1.00 2.15 H new ATOM 0 HH12 ARG A 45 11.885 -8.832 24.692 1.00 2.15 H new ATOM 0 HH21 ARG A 45 14.359 -11.357 24.797 1.00 1.98 H new ATOM 0 HH22 ARG A 45 12.955 -10.677 25.625 1.00 1.98 H new 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 0 H ASP A 46 16.131 -12.168 17.845 1.00 0.44 H new ATOM 0 HA ASP A 46 17.904 -13.986 19.305 1.00 0.59 H new ATOM 0 HB2 ASP A 46 17.924 -12.328 16.845 1.00 0.54 H new ATOM 0 HB3 ASP A 46 19.462 -12.354 17.684 1.00 0.54 H new 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 0 H LEU A 47 16.720 -12.281 21.132 1.00 0.80 H new ATOM 0 HA LEU A 47 17.130 -10.599 22.620 1.00 1.01 H new ATOM 0 HB2 LEU A 47 19.943 -11.810 22.398 1.00 1.27 H new ATOM 0 HB3 LEU A 47 19.334 -10.911 23.773 1.00 1.27 H new ATOM 0 HG LEU A 47 17.422 -12.995 23.129 1.00 1.41 H new ATOM 0 HD11 LEU A 47 18.875 -14.966 23.537 1.00 1.64 H new ATOM 0 HD12 LEU A 47 19.363 -14.118 22.051 1.00 1.64 H new ATOM 0 HD13 LEU A 47 20.307 -13.910 23.545 1.00 1.64 H new ATOM 0 HD21 LEU A 47 17.936 -13.664 25.464 1.00 1.87 H new ATOM 0 HD22 LEU A 47 19.381 -12.625 25.446 1.00 1.87 H new ATOM 0 HD23 LEU A 47 17.760 -11.898 25.338 1.00 1.87 H new 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 0 H ARG A 48 19.630 -9.239 23.250 1.00 1.32 H new ATOM 0 HA ARG A 48 19.310 -7.133 21.286 1.00 1.34 H new ATOM 0 HB2 ARG A 48 21.120 -7.643 23.698 1.00 1.65 H new ATOM 0 HB3 ARG A 48 21.269 -6.191 22.727 1.00 1.65 H new ATOM 0 HG2 ARG A 48 19.720 -5.672 24.542 1.00 1.87 H new ATOM 0 HG3 ARG A 48 18.772 -5.772 23.072 1.00 1.87 H new ATOM 0 HD2 ARG A 48 17.815 -7.861 23.663 1.00 2.47 H new ATOM 0 HD3 ARG A 48 19.141 -8.287 24.727 1.00 2.47 H new ATOM 0 HE ARG A 48 17.788 -5.874 25.725 1.00 3.46 H new ATOM 0 HH11 ARG A 48 18.683 -7.984 27.554 1.00 4.88 H new ATOM 0 HH12 ARG A 48 17.189 -8.810 28.010 1.00 4.88 H new ATOM 0 HH21 ARG A 48 15.397 -7.470 25.278 1.00 4.20 H new ATOM 0 HH22 ARG A 48 15.298 -8.514 26.700 1.00 4.20 H new 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 0 H TRP A 49 20.180 -6.911 19.402 1.00 1.31 H new ATOM 0 HA TRP A 49 23.008 -7.564 19.003 1.00 1.39 H new ATOM 0 HB2 TRP A 49 22.740 -9.473 17.675 1.00 1.35 H new ATOM 0 HB3 TRP A 49 21.389 -9.732 18.761 1.00 1.35 H new ATOM 0 HD1 TRP A 49 18.991 -10.045 17.579 1.00 1.32 H new ATOM 0 HE1 TRP A 49 18.339 -9.993 15.130 1.00 1.74 H new ATOM 0 HE3 TRP A 49 23.058 -7.833 15.725 1.00 2.19 H new ATOM 0 HZ2 TRP A 49 19.477 -9.050 12.600 1.00 2.57 H new ATOM 0 HZ3 TRP A 49 23.302 -7.345 13.335 1.00 2.69 H new ATOM 0 HH2 TRP A 49 21.512 -7.954 11.767 1.00 2.84 H new 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 0 H TRP A 50 19.801 -6.714 17.762 1.00 1.61 H new ATOM 0 HA TRP A 50 21.067 -5.121 15.588 1.00 1.94 H new ATOM 0 HB2 TRP A 50 18.475 -5.082 15.099 1.00 2.26 H new ATOM 0 HB3 TRP A 50 19.182 -6.685 15.088 1.00 2.26 H new ATOM 0 HD1 TRP A 50 16.552 -7.370 15.641 1.00 2.28 H new ATOM 0 HE1 TRP A 50 15.433 -7.716 17.889 1.00 1.98 H new ATOM 0 HE3 TRP A 50 19.675 -4.694 18.683 1.00 2.45 H new ATOM 0 HZ2 TRP A 50 15.727 -6.874 20.602 1.00 1.57 H new ATOM 0 HZ3 TRP A 50 19.029 -4.270 20.985 1.00 2.62 H new ATOM 0 HH2 TRP A 50 17.065 -5.351 21.951 1.00 2.15 H new 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 0 H GLU A 51 17.938 -4.326 16.806 1.00 2.52 H new ATOM 0 HA GLU A 51 18.572 -1.520 16.952 1.00 3.00 H new ATOM 0 HB2 GLU A 51 16.353 -3.341 16.840 1.00 3.82 H new ATOM 0 HB3 GLU A 51 16.192 -2.557 18.400 1.00 3.82 H new ATOM 0 HG2 GLU A 51 16.560 -1.068 15.747 1.00 4.48 H new ATOM 0 HG3 GLU A 51 15.017 -1.300 16.545 1.00 4.48 H new 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 0 H LEU A 52 16.912 -0.968 19.371 1.00 3.01 H new ATOM 0 HA LEU A 52 18.636 -1.981 21.544 1.00 3.51 H new ATOM 0 HB2 LEU A 52 18.993 0.640 20.208 1.00 4.11 H new ATOM 0 HB3 LEU A 52 18.606 0.845 21.905 1.00 4.11 H new ATOM 0 HG LEU A 52 20.719 -1.162 21.029 1.00 4.61 H new ATOM 0 HD11 LEU A 52 22.410 0.624 21.418 1.00 4.87 H new ATOM 0 HD12 LEU A 52 21.322 1.062 20.079 1.00 4.87 H new ATOM 0 HD13 LEU A 52 21.103 1.802 21.683 1.00 4.87 H new ATOM 0 HD21 LEU A 52 21.557 -0.733 23.330 1.00 5.42 H new ATOM 0 HD22 LEU A 52 20.261 0.460 23.579 1.00 5.42 H new ATOM 0 HD23 LEU A 52 19.857 -1.259 23.361 1.00 5.42 H new 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 0 H ARG A 53 16.804 -2.804 22.637 1.00 4.10 H new ATOM 0 HA ARG A 53 14.877 -2.668 23.860 1.00 4.56 H new ATOM 0 HB2 ARG A 53 16.506 -0.741 24.841 1.00 4.54 H new ATOM 0 HB3 ARG A 53 15.274 0.325 24.195 1.00 4.54 H new ATOM 0 HG2 ARG A 53 13.548 -1.218 25.428 1.00 5.23 H new ATOM 0 HG3 ARG A 53 14.929 -1.870 26.288 1.00 5.23 H new ATOM 0 HD2 ARG A 53 14.181 1.102 26.171 1.00 5.27 H new ATOM 0 HD3 ARG A 53 13.870 0.044 27.533 1.00 5.27 H new ATOM 0 HE ARG A 53 16.401 -0.246 27.768 1.00 5.84 H new ATOM 0 HH11 ARG A 53 14.964 2.707 27.466 1.00 6.85 H new ATOM 0 HH12 ARG A 53 16.371 3.588 26.863 1.00 6.85 H new ATOM 0 HH21 ARG A 53 18.209 0.621 26.286 1.00 6.63 H new ATOM 0 HH22 ARG A 53 18.243 2.384 26.182 1.00 6.63 H new TER 794 ARG A 53 CONECT 75 255 CONECT 182 421 CONECT 255 75 CONECT 421 182 CONECT 445 572 CONECT 572 445 END