USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER GROWTH FACTOR 11-FEB-99 1B9G TITLE INSULIN-LIKE-GROWTH-FACTOR-1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (GROWTH FACTOR IGF-1); COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: C-REGION DELETED SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS GROWTH FACTOR IGF-1 EXPDTA SOLUTION NMR AUTHOR E.DE WOLF,R.GILL,S.GEDDES,J.PITTS,A.WOLLMER,J.GROTZINGER REVDAT 2 24-FEB-09 1B9G 1 VERSN REVDAT 1 23-FEB-99 1B9G 0 JRNL AUTH E.DE WOLF,R.GILL,S.GEDDES,J.PITTS,A.WOLLMER, JRNL AUTH 2 J.GROTZINGER JRNL TITL SOLUTION STRUCTURE OF A MINI IGF-1. JRNL REF PROTEIN SCI. V. 5 2193 1996 JRNL REFN ISSN 0961-8368 JRNL PMID 8931138 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISTANCE GEOMETRY GEOMETRY REMARK 3 AUTHORS : SCHEEK REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1B9G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-FEB-99. REMARK 100 THE RCSB ID CODE IS RCSB000473. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 1.9 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 : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRVIEW, SNARF REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 15 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MEAN STRUCTURE. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 43 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 TYR A 47 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES REMARK 500 CYS A 48 CA - CB - SG 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 2 -76.68 -103.63 REMARK 500 GLU A 3 101.59 104.41 REMARK 500 THR A 4 115.93 57.66 REMARK 500 LEU A 5 26.10 -167.61 REMARK 500 ALA A 8 -43.68 66.04 REMARK 500 CYS A 18 90.15 -55.55 REMARK 500 ASP A 20 -46.55 66.44 REMARK 500 ASN A 26 -21.73 136.26 REMARK 500 PRO A 28 -168.34 15.36 REMARK 500 ILE A 30 -68.37 -90.35 REMARK 500 ARG A 37 163.17 92.39 REMARK 500 CYS A 39 157.85 -37.62 REMARK 500 ARG A 42 -33.54 62.14 REMARK 500 CYS A 48 26.98 -70.76 REMARK 500 ALA A 49 52.30 39.94 REMARK 500 LEU A 51 -96.21 -84.58 REMARK 500 PRO A 53 -124.54 -5.83 REMARK 500 SER A 56 87.13 -67.80 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 CYS A 35 PHE A 36 146.29 REMARK 500 ARG A 42 ARG A 43 147.86 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ARG A 21 12.30 REMARK 500 PHE A 23 11.68 REMARK 500 PHE A 25 -11.01 REMARK 500 PRO A 28 12.02 REMARK 500 REMARK 500 REMARK: NULL DBREF 1B9G A 1 57 UNP P01343 IGF1A_HUMAN 1 57 SEQRES 1 A 57 GLY PRO GLU THR LEU CYS GLY ALA GLU LEU VAL ASP ALA SEQRES 2 A 57 LEU GLN PHE VAL CYS GLY ASP ARG GLY PHE TYR PHE ASN SEQRES 3 A 57 LYS PRO GLY ILE VAL ASP GLU CYS CYS PHE ARG SER CYS SEQRES 4 A 57 ASP LEU ARG ARG LEU GLU MET TYR CYS ALA PRO LEU LYS SEQRES 5 A 57 PRO ALA LYS SER ALA HELIX 1 1 LEU A 10 GLN A 15 1 6 HELIX 2 2 ILE A 30 CYS A 34 1 5 HELIX 3 3 LEU A 44 MET A 46 5 3 SSBOND *** CYS A 6 CYS A 35 1555 1555 2.05 SSBOND *** CYS A 18 CYS A 48 1555 1555 2.04 SSBOND *** CYS A 34 CYS A 39 1555 1555 2.05 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -177:sc= -0.703 (180deg=-0.719) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 15 GLN :FLIP amide:sc= -1.33 F(o=-3.1!,f=-1.3) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.53) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -0.0789 (180deg=-1.25) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 134:sc= 0.716 USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= -1.72 (180deg=-5.32!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 69:sc= 0.632 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.940 -2.720 4.600 1.00 12.00 N ATOM 2 CA GLY A 1 -4.630 -1.940 5.810 1.00 12.00 C ATOM 3 C GLY A 1 -5.810 -1.170 6.460 1.00 12.00 C ATOM 4 O GLY A 1 -6.400 -1.700 7.400 1.00 12.00 O ATOM 0 H1 GLY A 1 -4.089 -3.229 4.287 1.00 12.00 H new ATOM 0 H2 GLY A 1 -5.694 -3.404 4.812 1.00 12.00 H new ATOM 0 H3 GLY A 1 -5.257 -2.079 3.845 1.00 12.00 H new ATOM 0 HA2 GLY A 1 -4.214 -2.618 6.555 1.00 12.00 H new ATOM 0 HA3 GLY A 1 -3.849 -1.221 5.561 1.00 12.00 H new ATOM 5 N PRO A 2 -6.090 0.060 6.000 1.00 12.00 N ATOM 6 CA PRO A 2 -7.110 0.920 6.630 1.00 12.00 C ATOM 7 C PRO A 2 -8.480 1.050 5.900 1.00 12.00 C ATOM 8 O PRO A 2 -9.340 0.210 6.150 1.00 12.00 O ATOM 9 CB PRO A 2 -6.380 2.260 6.760 1.00 12.00 C ATOM 10 CG PRO A 2 -5.500 2.320 5.510 1.00 12.00 C ATOM 11 CD PRO A 2 -5.160 0.870 5.190 1.00 12.00 C ATOM 0 HA PRO A 2 -7.445 0.484 7.571 1.00 12.00 H new ATOM 0 HB2 PRO A 2 -7.080 3.095 6.797 1.00 12.00 H new ATOM 0 HB3 PRO A 2 -5.784 2.304 7.671 1.00 12.00 H new ATOM 0 HG2 PRO A 2 -6.026 2.793 4.681 1.00 12.00 H new ATOM 0 HG3 PRO A 2 -4.598 2.905 5.691 1.00 12.00 H new ATOM 0 HD2 PRO A 2 -5.283 0.663 4.127 1.00 12.00 H new ATOM 0 HD3 PRO A 2 -4.123 0.645 5.440 1.00 12.00 H new ATOM 12 N GLU A 3 -8.490 1.850 4.830 1.00 12.00 N ATOM 13 CA GLU A 3 -9.610 2.550 4.140 1.00 12.00 C ATOM 14 C GLU A 3 -9.530 4.030 4.530 1.00 12.00 C ATOM 15 O GLU A 3 -9.850 4.380 5.670 1.00 12.00 O ATOM 16 CB GLU A 3 -11.030 2.000 4.380 1.00 12.00 C ATOM 17 CG GLU A 3 -11.280 0.720 3.570 1.00 12.00 C ATOM 18 CD GLU A 3 -12.360 -0.230 4.110 1.00 12.00 C ATOM 19 OE1 GLU A 3 -12.760 -0.090 5.290 1.00 12.00 O ATOM 20 OE2 GLU A 3 -12.760 -1.110 3.320 1.00 12.00 O ATOM 0 H GLU A 3 -7.609 2.056 4.358 1.00 12.00 H new ATOM 0 HA GLU A 3 -9.467 2.380 3.073 1.00 12.00 H new ATOM 0 HB2 GLU A 3 -11.167 1.793 5.441 1.00 12.00 H new ATOM 0 HB3 GLU A 3 -11.766 2.756 4.105 1.00 12.00 H new ATOM 0 HG2 GLU A 3 -11.554 1.006 2.554 1.00 12.00 H new ATOM 0 HG3 GLU A 3 -10.342 0.169 3.504 1.00 12.00 H new ATOM 21 N THR A 4 -8.990 4.830 3.600 1.00 12.00 N ATOM 22 CA THR A 4 -8.510 6.230 3.750 1.00 12.00 C ATOM 23 C THR A 4 -7.420 6.460 4.810 1.00 12.00 C ATOM 24 O THR A 4 -7.650 6.150 5.980 1.00 12.00 O ATOM 25 CB THR A 4 -9.600 7.320 3.790 1.00 12.00 C ATOM 26 OG1 THR A 4 -8.950 8.590 3.680 1.00 12.00 O ATOM 27 CG2 THR A 4 -10.510 7.320 5.020 1.00 12.00 C ATOM 0 H THR A 4 -8.863 4.498 2.644 1.00 12.00 H new ATOM 0 HA THR A 4 -8.009 6.362 2.791 1.00 12.00 H new ATOM 0 HB THR A 4 -10.272 7.106 2.959 1.00 12.00 H new ATOM 0 HG1 THR A 4 -9.621 9.304 3.701 1.00 12.00 H new ATOM 0 HG21 THR A 4 -11.235 8.129 4.936 1.00 12.00 H new ATOM 0 HG22 THR A 4 -11.035 6.367 5.084 1.00 12.00 H new ATOM 0 HG23 THR A 4 -9.908 7.464 5.918 1.00 12.00 H new ATOM 28 N LEU A 5 -6.230 6.880 4.350 1.00 12.00 N ATOM 29 CA LEU A 5 -5.060 7.160 5.230 1.00 12.00 C ATOM 30 C LEU A 5 -3.830 7.910 4.650 1.00 12.00 C ATOM 31 O LEU A 5 -2.780 7.910 5.300 1.00 12.00 O ATOM 32 CB LEU A 5 -4.600 5.830 5.860 1.00 12.00 C ATOM 33 CG LEU A 5 -4.300 5.910 7.370 1.00 12.00 C ATOM 34 CD1 LEU A 5 -5.510 6.320 8.220 1.00 12.00 C ATOM 35 CD2 LEU A 5 -3.760 4.570 7.860 1.00 12.00 C ATOM 0 H LEU A 5 -6.042 7.038 3.360 1.00 12.00 H new ATOM 0 HA LEU A 5 -5.451 7.887 5.941 1.00 12.00 H new ATOM 0 HB2 LEU A 5 -5.371 5.078 5.695 1.00 12.00 H new ATOM 0 HB3 LEU A 5 -3.704 5.487 5.342 1.00 12.00 H new ATOM 0 HG LEU A 5 -3.555 6.696 7.494 1.00 12.00 H new ATOM 0 HD11 LEU A 5 -5.222 6.355 9.271 1.00 12.00 H new ATOM 0 HD12 LEU A 5 -5.858 7.304 7.907 1.00 12.00 H new ATOM 0 HD13 LEU A 5 -6.311 5.593 8.087 1.00 12.00 H new ATOM 0 HD21 LEU A 5 -3.549 4.631 8.928 1.00 12.00 H new ATOM 0 HD22 LEU A 5 -4.501 3.791 7.680 1.00 12.00 H new ATOM 0 HD23 LEU A 5 -2.843 4.329 7.322 1.00 12.00 H new ATOM 36 N CYS A 6 -3.970 8.740 3.610 1.00 12.00 N ATOM 37 CA CYS A 6 -2.790 9.440 3.000 1.00 12.00 C ATOM 38 C CYS A 6 -2.060 10.460 3.900 1.00 12.00 C ATOM 39 O CYS A 6 -0.910 10.810 3.620 1.00 12.00 O ATOM 40 CB CYS A 6 -3.110 10.010 1.610 1.00 12.00 C ATOM 41 SG CYS A 6 -1.900 11.160 0.850 1.00 12.00 S ATOM 0 H CYS A 6 -4.863 8.953 3.166 1.00 12.00 H new ATOM 0 HA CYS A 6 -2.056 8.643 2.881 1.00 12.00 H new ATOM 0 HB2 CYS A 6 -3.246 9.170 0.928 1.00 12.00 H new ATOM 0 HB3 CYS A 6 -4.067 10.527 1.674 1.00 12.00 H new ATOM 42 N GLY A 7 -2.640 10.790 5.050 1.00 12.00 N ATOM 43 CA GLY A 7 -2.020 11.670 6.070 1.00 12.00 C ATOM 44 C GLY A 7 -0.980 10.920 6.910 1.00 12.00 C ATOM 45 O GLY A 7 -1.240 10.590 8.070 1.00 12.00 O ATOM 0 H GLY A 7 -3.566 10.456 5.316 1.00 12.00 H new ATOM 0 HA2 GLY A 7 -1.546 12.519 5.578 1.00 12.00 H new ATOM 0 HA3 GLY A 7 -2.795 12.071 6.723 1.00 12.00 H new ATOM 46 N ALA A 8 0.120 10.540 6.240 1.00 12.00 N ATOM 47 CA ALA A 8 1.330 9.870 6.750 1.00 12.00 C ATOM 48 C ALA A 8 1.160 8.430 7.280 1.00 12.00 C ATOM 49 O ALA A 8 1.910 7.540 6.910 1.00 12.00 O ATOM 50 CB ALA A 8 2.070 10.730 7.790 1.00 12.00 C ATOM 0 H ALA A 8 0.193 10.709 5.237 1.00 12.00 H new ATOM 0 HA ALA A 8 1.933 9.762 5.848 1.00 12.00 H new ATOM 0 HB1 ALA A 8 2.955 10.198 8.139 1.00 12.00 H new ATOM 0 HB2 ALA A 8 2.370 11.674 7.335 1.00 12.00 H new ATOM 0 HB3 ALA A 8 1.410 10.928 8.634 1.00 12.00 H new ATOM 51 N GLU A 9 0.100 8.210 8.050 1.00 12.00 N ATOM 52 CA GLU A 9 -0.270 6.910 8.650 1.00 12.00 C ATOM 53 C GLU A 9 -0.380 5.750 7.630 1.00 12.00 C ATOM 54 O GLU A 9 -0.170 4.590 8.000 1.00 12.00 O ATOM 55 CB GLU A 9 -1.590 7.040 9.410 1.00 12.00 C ATOM 56 CG GLU A 9 -1.560 7.900 10.670 1.00 12.00 C ATOM 57 CD GLU A 9 -3.000 8.080 11.180 1.00 12.00 C ATOM 58 OE1 GLU A 9 -3.540 7.100 11.720 1.00 12.00 O ATOM 59 OE2 GLU A 9 -3.530 9.200 10.990 1.00 12.00 O ATOM 0 H GLU A 9 -0.557 8.953 8.289 1.00 12.00 H new ATOM 0 HA GLU A 9 0.546 6.654 9.326 1.00 12.00 H new ATOM 0 HB2 GLU A 9 -2.337 7.452 8.731 1.00 12.00 H new ATOM 0 HB3 GLU A 9 -1.927 6.041 9.685 1.00 12.00 H new ATOM 0 HG2 GLU A 9 -0.945 7.427 11.435 1.00 12.00 H new ATOM 0 HG3 GLU A 9 -1.112 8.870 10.455 1.00 12.00 H new ATOM 60 N LEU A 10 -0.660 6.080 6.370 1.00 12.00 N ATOM 61 CA LEU A 10 -0.570 5.150 5.220 1.00 12.00 C ATOM 62 C LEU A 10 0.660 4.220 5.270 1.00 12.00 C ATOM 63 O LEU A 10 0.490 3.010 5.190 1.00 12.00 O ATOM 64 CB LEU A 10 -0.630 5.930 3.890 1.00 12.00 C ATOM 65 CG LEU A 10 0.700 6.510 3.390 1.00 12.00 C ATOM 66 CD1 LEU A 10 1.230 5.680 2.230 1.00 12.00 C ATOM 67 CD2 LEU A 10 0.590 7.980 2.980 1.00 12.00 C ATOM 0 H LEU A 10 -0.963 7.017 6.103 1.00 12.00 H new ATOM 0 HA LEU A 10 -1.436 4.492 5.286 1.00 12.00 H new ATOM 0 HB2 LEU A 10 -1.027 5.268 3.121 1.00 12.00 H new ATOM 0 HB3 LEU A 10 -1.341 6.749 4.003 1.00 12.00 H new ATOM 0 HG LEU A 10 1.399 6.466 4.225 1.00 12.00 H new ATOM 0 HD11 LEU A 10 2.174 6.100 1.883 1.00 12.00 H new ATOM 0 HD12 LEU A 10 1.390 4.654 2.560 1.00 12.00 H new ATOM 0 HD13 LEU A 10 0.507 5.691 1.415 1.00 12.00 H new ATOM 0 HD21 LEU A 10 1.561 8.335 2.635 1.00 12.00 H new ATOM 0 HD22 LEU A 10 -0.139 8.080 2.176 1.00 12.00 H new ATOM 0 HD23 LEU A 10 0.270 8.574 3.836 1.00 12.00 H new ATOM 68 N VAL A 11 1.780 4.770 5.740 1.00 12.00 N ATOM 69 CA VAL A 11 3.090 4.080 5.810 1.00 12.00 C ATOM 70 C VAL A 11 3.040 2.890 6.780 1.00 12.00 C ATOM 71 O VAL A 11 3.440 1.800 6.380 1.00 12.00 O ATOM 72 CB VAL A 11 4.240 5.060 6.080 1.00 12.00 C ATOM 73 CG1 VAL A 11 5.610 4.380 5.980 1.00 12.00 C ATOM 74 CG2 VAL A 11 4.270 6.210 5.060 1.00 12.00 C ATOM 0 H VAL A 11 1.814 5.727 6.092 1.00 12.00 H new ATOM 0 HA VAL A 11 3.305 3.655 4.830 1.00 12.00 H new ATOM 0 HB VAL A 11 4.057 5.432 7.088 1.00 12.00 H new ATOM 0 HG11 VAL A 11 6.394 5.111 6.178 1.00 12.00 H new ATOM 0 HG12 VAL A 11 5.671 3.575 6.712 1.00 12.00 H new ATOM 0 HG13 VAL A 11 5.741 3.970 4.978 1.00 12.00 H new ATOM 0 HG21 VAL A 11 5.100 6.879 5.290 1.00 12.00 H new ATOM 0 HG22 VAL A 11 4.399 5.803 4.057 1.00 12.00 H new ATOM 0 HG23 VAL A 11 3.333 6.764 5.109 1.00 12.00 H new ATOM 75 N ASP A 12 2.360 3.010 7.920 1.00 12.00 N ATOM 76 CA ASP A 12 2.220 1.870 8.860 1.00 12.00 C ATOM 77 C ASP A 12 1.390 0.700 8.290 1.00 12.00 C ATOM 78 O ASP A 12 1.850 -0.440 8.300 1.00 12.00 O ATOM 79 CB ASP A 12 1.770 2.260 10.280 1.00 12.00 C ATOM 80 CG ASP A 12 0.410 2.960 10.400 1.00 12.00 C ATOM 81 OD1 ASP A 12 -0.610 2.280 10.170 1.00 12.00 O ATOM 82 OD2 ASP A 12 0.440 4.170 10.700 1.00 12.00 O ATOM 0 H ASP A 12 1.899 3.868 8.223 1.00 12.00 H new ATOM 0 HA ASP A 12 3.241 1.504 8.972 1.00 12.00 H new ATOM 0 HB2 ASP A 12 1.744 1.357 10.889 1.00 12.00 H new ATOM 0 HB3 ASP A 12 2.529 2.913 10.711 1.00 12.00 H new ATOM 83 N ALA A 13 0.300 1.040 7.600 1.00 12.00 N ATOM 84 CA ALA A 13 -0.570 0.080 6.900 1.00 12.00 C ATOM 85 C ALA A 13 0.150 -0.600 5.730 1.00 12.00 C ATOM 86 O ALA A 13 0.190 -1.820 5.630 1.00 12.00 O ATOM 87 CB ALA A 13 -1.810 0.830 6.410 1.00 12.00 C ATOM 0 H ALA A 13 -0.013 2.006 7.507 1.00 12.00 H new ATOM 0 HA ALA A 13 -0.854 -0.714 7.591 1.00 12.00 H new ATOM 0 HB1 ALA A 13 -2.471 0.138 5.887 1.00 12.00 H new ATOM 0 HB2 ALA A 13 -2.336 1.260 7.263 1.00 12.00 H new ATOM 0 HB3 ALA A 13 -1.508 1.627 5.730 1.00 12.00 H new ATOM 88 N LEU A 14 0.830 0.220 4.930 1.00 12.00 N ATOM 89 CA LEU A 14 1.760 -0.200 3.860 1.00 12.00 C ATOM 90 C LEU A 14 2.840 -1.190 4.370 1.00 12.00 C ATOM 91 O LEU A 14 2.840 -2.340 3.960 1.00 12.00 O ATOM 92 CB LEU A 14 2.230 1.130 3.270 1.00 12.00 C ATOM 93 CG LEU A 14 3.470 1.140 2.380 1.00 12.00 C ATOM 94 CD1 LEU A 14 3.300 2.150 1.240 1.00 12.00 C ATOM 95 CD2 LEU A 14 4.700 1.490 3.210 1.00 12.00 C ATOM 0 H LEU A 14 0.752 1.234 5.005 1.00 12.00 H new ATOM 0 HA LEU A 14 1.317 -0.810 3.072 1.00 12.00 H new ATOM 0 HB2 LEU A 14 1.405 1.545 2.691 1.00 12.00 H new ATOM 0 HB3 LEU A 14 2.413 1.813 4.099 1.00 12.00 H new ATOM 0 HG LEU A 14 3.601 0.148 1.948 1.00 12.00 H new ATOM 0 HD11 LEU A 14 4.192 2.146 0.614 1.00 12.00 H new ATOM 0 HD12 LEU A 14 2.433 1.877 0.638 1.00 12.00 H new ATOM 0 HD13 LEU A 14 3.153 3.147 1.656 1.00 12.00 H new ATOM 0 HD21 LEU A 14 5.582 1.496 2.569 1.00 12.00 H new ATOM 0 HD22 LEU A 14 4.569 2.476 3.656 1.00 12.00 H new ATOM 0 HD23 LEU A 14 4.829 0.749 3.999 1.00 12.00 H new ATOM 96 N GLN A 15 3.490 -0.830 5.480 1.00 12.00 N ATOM 97 CA GLN A 15 4.540 -1.640 6.120 1.00 12.00 C ATOM 98 C GLN A 15 4.120 -2.970 6.780 1.00 12.00 C ATOM 99 O GLN A 15 5.000 -3.750 7.130 1.00 12.00 O ATOM 100 CB GLN A 15 5.350 -0.790 7.100 1.00 12.00 C ATOM 101 CG GLN A 15 6.270 0.180 6.350 1.00 12.00 C ATOM 102 CD GLN A 15 6.830 1.320 7.210 1.00 12.00 C ATOM 103 OE1 GLN A 15 6.040 1.850 8.140 1.00 12.00 O flip ATOM 104 NE2 GLN A 15 7.910 1.840 6.990 1.00 12.00 N flip ATOM 0 H GLN A 15 3.302 0.045 5.970 1.00 12.00 H new ATOM 0 HA GLN A 15 5.147 -1.965 5.275 1.00 12.00 H new ATOM 0 HB2 GLN A 15 4.675 -0.230 7.747 1.00 12.00 H new ATOM 0 HB3 GLN A 15 5.945 -1.438 7.744 1.00 12.00 H new ATOM 0 HG2 GLN A 15 7.103 -0.382 5.928 1.00 12.00 H new ATOM 0 HG3 GLN A 15 5.719 0.610 5.514 1.00 12.00 H new ATOM 0 HE21 GLN A 15 8.530 1.448 6.281 1.00 12.00 H new ATOM 0 HE22 GLN A 15 8.194 2.667 7.515 1.00 12.00 H new ATOM 105 N PHE A 16 2.820 -3.230 6.940 1.00 12.00 N ATOM 106 CA PHE A 16 2.350 -4.580 7.340 1.00 12.00 C ATOM 107 C PHE A 16 2.650 -5.640 6.260 1.00 12.00 C ATOM 108 O PHE A 16 2.920 -6.810 6.560 1.00 12.00 O ATOM 109 CB PHE A 16 0.870 -4.570 7.790 1.00 12.00 C ATOM 110 CG PHE A 16 -0.210 -5.240 6.920 1.00 12.00 C ATOM 111 CD1 PHE A 16 -0.290 -6.650 6.830 1.00 12.00 C ATOM 112 CD2 PHE A 16 -1.220 -4.440 6.330 1.00 12.00 C ATOM 113 CE1 PHE A 16 -1.350 -7.260 6.130 1.00 12.00 C ATOM 114 CE2 PHE A 16 -2.290 -5.040 5.630 1.00 12.00 C ATOM 115 CZ PHE A 16 -2.340 -6.450 5.530 1.00 12.00 C ATOM 0 H PHE A 16 2.077 -2.544 6.804 1.00 12.00 H new ATOM 0 HA PHE A 16 2.926 -4.876 8.217 1.00 12.00 H new ATOM 0 HB2 PHE A 16 0.828 -5.038 8.774 1.00 12.00 H new ATOM 0 HB3 PHE A 16 0.579 -3.528 7.920 1.00 12.00 H new ATOM 0 HD1 PHE A 16 0.465 -7.262 7.300 1.00 12.00 H new ATOM 0 HD2 PHE A 16 -1.171 -3.365 6.416 1.00 12.00 H new ATOM 0 HE1 PHE A 16 -1.405 -8.336 6.053 1.00 12.00 H new ATOM 0 HE2 PHE A 16 -3.059 -4.431 5.178 1.00 12.00 H new ATOM 0 HZ PHE A 16 -3.149 -6.915 4.986 1.00 12.00 H new ATOM 116 N VAL A 17 2.710 -5.160 5.020 1.00 12.00 N ATOM 117 CA VAL A 17 2.760 -5.980 3.790 1.00 12.00 C ATOM 118 C VAL A 17 4.200 -6.190 3.280 1.00 12.00 C ATOM 119 O VAL A 17 4.730 -7.290 3.330 1.00 12.00 O ATOM 120 CB VAL A 17 1.880 -5.280 2.730 1.00 12.00 C ATOM 121 CG1 VAL A 17 1.870 -5.970 1.360 1.00 12.00 C ATOM 122 CG2 VAL A 17 0.430 -5.140 3.210 1.00 12.00 C ATOM 0 H VAL A 17 2.726 -4.159 4.827 1.00 12.00 H new ATOM 0 HA VAL A 17 2.381 -6.980 4.002 1.00 12.00 H new ATOM 0 HB VAL A 17 2.341 -4.301 2.602 1.00 12.00 H new ATOM 0 HG11 VAL A 17 1.228 -5.413 0.677 1.00 12.00 H new ATOM 0 HG12 VAL A 17 2.884 -6.001 0.961 1.00 12.00 H new ATOM 0 HG13 VAL A 17 1.491 -6.986 1.467 1.00 12.00 H new ATOM 0 HG21 VAL A 17 -0.162 -4.644 2.441 1.00 12.00 H new ATOM 0 HG22 VAL A 17 0.015 -6.128 3.406 1.00 12.00 H new ATOM 0 HG23 VAL A 17 0.405 -4.548 4.125 1.00 12.00 H new ATOM 123 N CYS A 18 4.830 -5.050 2.990 1.00 12.00 N ATOM 124 CA CYS A 18 5.940 -4.890 2.040 1.00 12.00 C ATOM 125 C CYS A 18 7.200 -5.770 2.250 1.00 12.00 C ATOM 126 O CYS A 18 8.110 -5.420 2.990 1.00 12.00 O ATOM 127 CB CYS A 18 6.270 -3.400 1.920 1.00 12.00 C ATOM 128 SG CYS A 18 4.770 -2.330 1.840 1.00 12.00 S ATOM 0 H CYS A 18 4.569 -4.168 3.431 1.00 12.00 H new ATOM 0 HA CYS A 18 5.573 -5.290 1.094 1.00 12.00 H new ATOM 0 HB2 CYS A 18 6.878 -3.099 2.773 1.00 12.00 H new ATOM 0 HB3 CYS A 18 6.872 -3.238 1.026 1.00 12.00 H new ATOM 129 N GLY A 19 7.140 -6.940 1.600 1.00 12.00 N ATOM 130 CA GLY A 19 8.270 -7.880 1.450 1.00 12.00 C ATOM 131 C GLY A 19 7.980 -8.950 0.380 1.00 12.00 C ATOM 132 O GLY A 19 7.610 -10.080 0.720 1.00 12.00 O ATOM 0 H GLY A 19 6.286 -7.271 1.151 1.00 12.00 H new ATOM 0 HA2 GLY A 19 9.170 -7.328 1.179 1.00 12.00 H new ATOM 0 HA3 GLY A 19 8.470 -8.365 2.405 1.00 12.00 H new ATOM 133 N ASP A 20 8.170 -8.580 -0.890 1.00 12.00 N ATOM 134 CA ASP A 20 7.770 -9.320 -2.120 1.00 12.00 C ATOM 135 C ASP A 20 6.240 -9.410 -2.270 1.00 12.00 C ATOM 136 O ASP A 20 5.670 -9.160 -3.330 1.00 12.00 O ATOM 137 CB ASP A 20 8.440 -10.690 -2.310 1.00 12.00 C ATOM 138 CG ASP A 20 8.120 -11.290 -3.690 1.00 12.00 C ATOM 139 OD1 ASP A 20 8.430 -10.620 -4.700 1.00 12.00 O ATOM 140 OD2 ASP A 20 7.530 -12.400 -3.690 1.00 12.00 O ATOM 0 H ASP A 20 8.636 -7.701 -1.115 1.00 12.00 H new ATOM 0 HA ASP A 20 8.160 -8.709 -2.934 1.00 12.00 H new ATOM 0 HB2 ASP A 20 9.519 -10.586 -2.199 1.00 12.00 H new ATOM 0 HB3 ASP A 20 8.103 -11.372 -1.529 1.00 12.00 H new ATOM 141 N ARG A 21 5.590 -9.770 -1.160 1.00 12.00 N ATOM 142 CA ARG A 21 4.190 -9.440 -0.850 1.00 12.00 C ATOM 143 C ARG A 21 4.240 -7.920 -0.530 1.00 12.00 C ATOM 144 O ARG A 21 4.500 -7.540 0.600 1.00 12.00 O ATOM 145 CB ARG A 21 3.890 -10.310 0.380 1.00 12.00 C ATOM 146 CG ARG A 21 2.410 -10.640 0.640 1.00 12.00 C ATOM 147 CD ARG A 21 1.630 -9.540 1.360 1.00 12.00 C ATOM 148 NE ARG A 21 2.060 -9.330 2.760 1.00 12.00 N ATOM 149 CZ ARG A 21 1.400 -9.720 3.850 1.00 12.00 C ATOM 150 NH1 ARG A 21 0.290 -10.440 3.800 1.00 12.00 N ATOM 151 NH2 ARG A 21 1.750 -9.240 5.040 1.00 12.00 N ATOM 0 H ARG A 21 6.037 -10.318 -0.425 1.00 12.00 H new ATOM 0 HA ARG A 21 3.433 -9.620 -1.614 1.00 12.00 H new ATOM 0 HB2 ARG A 21 4.436 -11.248 0.277 1.00 12.00 H new ATOM 0 HB3 ARG A 21 4.287 -9.805 1.261 1.00 12.00 H new ATOM 0 HG2 ARG A 21 1.924 -10.847 -0.314 1.00 12.00 H new ATOM 0 HG3 ARG A 21 2.354 -11.554 1.231 1.00 12.00 H new ATOM 0 HD2 ARG A 21 1.743 -8.606 0.810 1.00 12.00 H new ATOM 0 HD3 ARG A 21 0.569 -9.791 1.348 1.00 12.00 H new ATOM 0 HE ARG A 21 2.944 -8.841 2.904 1.00 12.00 H new ATOM 0 HH11 ARG A 21 -0.096 -10.720 2.898 1.00 12.00 H new ATOM 0 HH12 ARG A 21 -0.179 -10.714 4.663 1.00 12.00 H new ATOM 0 HH21 ARG A 21 2.521 -8.576 5.116 1.00 12.00 H new ATOM 0 HH22 ARG A 21 1.248 -9.536 5.877 1.00 12.00 H new ATOM 152 N GLY A 22 4.480 -7.160 -1.610 1.00 12.00 N ATOM 153 CA GLY A 22 4.780 -5.720 -1.580 1.00 12.00 C ATOM 154 C GLY A 22 6.250 -5.400 -1.920 1.00 12.00 C ATOM 155 O GLY A 22 6.950 -6.220 -2.490 1.00 12.00 O ATOM 0 H GLY A 22 4.470 -7.542 -2.556 1.00 12.00 H new ATOM 0 HA2 GLY A 22 4.130 -5.205 -2.287 1.00 12.00 H new ATOM 0 HA3 GLY A 22 4.549 -5.328 -0.590 1.00 12.00 H new ATOM 156 N PHE A 23 6.670 -4.160 -1.650 1.00 12.00 N ATOM 157 CA PHE A 23 8.070 -3.720 -1.880 1.00 12.00 C ATOM 158 C PHE A 23 9.030 -4.010 -0.690 1.00 12.00 C ATOM 159 O PHE A 23 8.890 -5.060 -0.070 1.00 12.00 O ATOM 160 CB PHE A 23 8.060 -2.230 -2.310 1.00 12.00 C ATOM 161 CG PHE A 23 7.730 -1.210 -1.210 1.00 12.00 C ATOM 162 CD1 PHE A 23 6.394 -0.893 -0.909 1.00 12.00 C ATOM 163 CD2 PHE A 23 8.781 -0.584 -0.502 1.00 12.00 C ATOM 164 CE1 PHE A 23 6.080 0.083 0.054 1.00 12.00 C ATOM 165 CE2 PHE A 23 8.473 0.372 0.492 1.00 12.00 C ATOM 166 CZ PHE A 23 7.124 0.707 0.749 1.00 12.00 C ATOM 0 H PHE A 23 6.065 -3.432 -1.270 1.00 12.00 H new ATOM 0 HA PHE A 23 8.488 -4.321 -2.688 1.00 12.00 H new ATOM 0 HB2 PHE A 23 9.039 -1.985 -2.722 1.00 12.00 H new ATOM 0 HB3 PHE A 23 7.336 -2.111 -3.116 1.00 12.00 H new ATOM 0 HD1 PHE A 23 5.596 -1.407 -1.425 1.00 12.00 H new ATOM 0 HD2 PHE A 23 9.809 -0.834 -0.719 1.00 12.00 H new ATOM 0 HE1 PHE A 23 5.052 0.347 0.254 1.00 12.00 H new ATOM 0 HE2 PHE A 23 9.265 0.845 1.053 1.00 12.00 H new ATOM 0 HZ PHE A 23 6.895 1.456 1.493 1.00 12.00 H new ATOM 167 N TYR A 24 10.190 -3.350 -0.690 1.00 12.00 N ATOM 168 CA TYR A 24 11.020 -3.060 0.510 1.00 12.00 C ATOM 169 C TYR A 24 11.730 -1.720 0.230 1.00 12.00 C ATOM 170 O TYR A 24 11.990 -1.390 -0.930 1.00 12.00 O ATOM 171 CB TYR A 24 12.030 -4.180 0.810 1.00 12.00 C ATOM 172 CG TYR A 24 12.370 -4.210 2.310 1.00 12.00 C ATOM 173 CD1 TYR A 24 11.489 -4.847 3.214 1.00 12.00 C ATOM 174 CD2 TYR A 24 13.580 -3.616 2.744 1.00 12.00 C ATOM 175 CE1 TYR A 24 11.818 -4.882 4.575 1.00 12.00 C ATOM 176 CE2 TYR A 24 13.913 -3.651 4.114 1.00 12.00 C ATOM 177 CZ TYR A 24 13.019 -4.278 5.014 1.00 12.00 C ATOM 178 OH TYR A 24 13.331 -4.302 6.339 1.00 12.00 O ATOM 0 H TYR A 24 10.603 -2.985 -1.548 1.00 12.00 H new ATOM 0 HA TYR A 24 10.393 -2.999 1.399 1.00 12.00 H new ATOM 0 HB2 TYR A 24 11.617 -5.142 0.505 1.00 12.00 H new ATOM 0 HB3 TYR A 24 12.938 -4.024 0.228 1.00 12.00 H new ATOM 0 HD1 TYR A 24 10.575 -5.300 2.860 1.00 12.00 H new ATOM 0 HD2 TYR A 24 14.241 -3.141 2.034 1.00 12.00 H new ATOM 0 HE1 TYR A 24 11.161 -5.366 5.282 1.00 12.00 H new ATOM 0 HE2 TYR A 24 14.832 -3.208 4.469 1.00 12.00 H new ATOM 0 HH TYR A 24 14.187 -3.847 6.482 1.00 12.00 H new ATOM 179 N PHE A 25 11.810 -0.850 1.240 1.00 12.00 N ATOM 180 CA PHE A 25 12.180 0.560 1.000 1.00 12.00 C ATOM 181 C PHE A 25 13.640 0.770 0.560 1.00 12.00 C ATOM 182 O PHE A 25 14.560 0.670 1.370 1.00 12.00 O ATOM 183 CB PHE A 25 11.750 1.500 2.140 1.00 12.00 C ATOM 184 CG PHE A 25 11.260 2.880 1.640 1.00 12.00 C ATOM 185 CD1 PHE A 25 10.610 3.030 0.390 1.00 12.00 C ATOM 186 CD2 PHE A 25 11.310 3.960 2.550 1.00 12.00 C ATOM 187 CE1 PHE A 25 9.980 4.250 0.060 1.00 12.00 C ATOM 188 CE2 PHE A 25 10.680 5.180 2.230 1.00 12.00 C ATOM 189 CZ PHE A 25 10.020 5.310 0.990 1.00 12.00 C ATOM 0 H PHE A 25 11.629 -1.084 2.216 1.00 12.00 H new ATOM 0 HA PHE A 25 11.591 0.852 0.131 1.00 12.00 H new ATOM 0 HB2 PHE A 25 10.954 1.025 2.713 1.00 12.00 H new ATOM 0 HB3 PHE A 25 12.590 1.644 2.820 1.00 12.00 H new ATOM 0 HD1 PHE A 25 10.596 2.209 -0.312 1.00 12.00 H new ATOM 0 HD2 PHE A 25 11.830 3.851 3.490 1.00 12.00 H new ATOM 0 HE1 PHE A 25 9.476 4.369 -0.888 1.00 12.00 H new ATOM 0 HE2 PHE A 25 10.702 6.005 2.926 1.00 12.00 H new ATOM 0 HZ PHE A 25 9.534 6.243 0.747 1.00 12.00 H new ATOM 190 N ASN A 26 13.670 1.480 -0.560 1.00 12.00 N ATOM 191 CA ASN A 26 14.750 1.580 -1.580 1.00 12.00 C ATOM 192 C ASN A 26 14.150 1.510 -3.010 1.00 12.00 C ATOM 193 O ASN A 26 14.790 1.920 -3.970 1.00 12.00 O ATOM 194 CB ASN A 26 15.880 0.540 -1.460 1.00 12.00 C ATOM 195 CG ASN A 26 15.470 -0.890 -1.830 1.00 12.00 C ATOM 196 OD1 ASN A 26 14.880 -1.640 -1.060 1.00 12.00 O ATOM 197 ND2 ASN A 26 15.680 -1.240 -3.080 1.00 12.00 N ATOM 0 H ASN A 26 12.873 2.061 -0.818 1.00 12.00 H new ATOM 0 HA ASN A 26 15.214 2.547 -1.386 1.00 12.00 H new ATOM 0 HB2 ASN A 26 16.707 0.845 -2.102 1.00 12.00 H new ATOM 0 HB3 ASN A 26 16.253 0.544 -0.436 1.00 12.00 H new ATOM 0 HD21 ASN A 26 15.351 -2.144 -3.419 1.00 12.00 H new ATOM 0 HD22 ASN A 26 16.172 -0.607 -3.711 1.00 12.00 H new ATOM 198 N LYS A 27 12.940 0.940 -3.110 1.00 12.00 N ATOM 199 CA LYS A 27 12.180 0.790 -4.380 1.00 12.00 C ATOM 200 C LYS A 27 11.280 1.920 -4.950 1.00 12.00 C ATOM 201 O LYS A 27 11.020 1.840 -6.150 1.00 12.00 O ATOM 202 CB LYS A 27 11.410 -0.540 -4.290 1.00 12.00 C ATOM 203 CG LYS A 27 12.390 -1.730 -4.350 1.00 12.00 C ATOM 204 CD LYS A 27 11.810 -3.070 -3.880 1.00 12.00 C ATOM 205 CE LYS A 27 10.790 -3.690 -4.840 1.00 12.00 C ATOM 206 NZ LYS A 27 10.400 -5.020 -4.350 1.00 12.00 N ATOM 0 H LYS A 27 12.446 0.561 -2.302 1.00 12.00 H new ATOM 0 HA LYS A 27 12.966 0.839 -5.133 1.00 12.00 H new ATOM 0 HB2 LYS A 27 10.840 -0.576 -3.362 1.00 12.00 H new ATOM 0 HB3 LYS A 27 10.693 -0.609 -5.108 1.00 12.00 H new ATOM 0 HG2 LYS A 27 12.740 -1.842 -5.376 1.00 12.00 H new ATOM 0 HG3 LYS A 27 13.262 -1.494 -3.740 1.00 12.00 H new ATOM 0 HD2 LYS A 27 12.628 -3.775 -3.734 1.00 12.00 H new ATOM 0 HD3 LYS A 27 11.336 -2.926 -2.909 1.00 12.00 H new ATOM 0 HE2 LYS A 27 9.912 -3.048 -4.919 1.00 12.00 H new ATOM 0 HE3 LYS A 27 11.217 -3.770 -5.839 1.00 12.00 H new ATOM 0 HZ1 LYS A 27 9.429 -5.232 -4.656 1.00 12.00 H new ATOM 0 HZ2 LYS A 27 11.048 -5.736 -4.736 1.00 12.00 H new ATOM 0 HZ3 LYS A 27 10.447 -5.035 -3.311 1.00 12.00 H new ATOM 207 N PRO A 28 10.990 3.050 -4.270 1.00 12.00 N ATOM 208 CA PRO A 28 9.900 4.000 -4.600 1.00 12.00 C ATOM 209 C PRO A 28 8.750 3.630 -5.560 1.00 12.00 C ATOM 210 O PRO A 28 8.320 2.480 -5.590 1.00 12.00 O ATOM 211 CB PRO A 28 10.640 5.300 -4.890 1.00 12.00 C ATOM 212 CG PRO A 28 11.600 5.320 -3.700 1.00 12.00 C ATOM 213 CD PRO A 28 11.990 3.850 -3.530 1.00 12.00 C ATOM 0 HA PRO A 28 9.217 4.039 -3.752 1.00 12.00 H new ATOM 0 HB2 PRO A 28 11.161 5.280 -5.847 1.00 12.00 H new ATOM 0 HB3 PRO A 28 9.976 6.164 -4.906 1.00 12.00 H new ATOM 0 HG2 PRO A 28 12.470 5.946 -3.897 1.00 12.00 H new ATOM 0 HG3 PRO A 28 11.120 5.714 -2.804 1.00 12.00 H new ATOM 0 HD2 PRO A 28 12.992 3.669 -3.918 1.00 12.00 H new ATOM 0 HD3 PRO A 28 12.002 3.573 -2.476 1.00 12.00 H new ATOM 214 N GLY A 29 7.990 4.680 -5.940 1.00 12.00 N ATOM 215 CA GLY A 29 6.770 4.600 -6.770 1.00 12.00 C ATOM 216 C GLY A 29 5.480 4.140 -6.050 1.00 12.00 C ATOM 217 O GLY A 29 4.380 4.300 -6.570 1.00 12.00 O ATOM 0 H GLY A 29 8.217 5.637 -5.668 1.00 12.00 H new ATOM 0 HA2 GLY A 29 6.587 5.583 -7.205 1.00 12.00 H new ATOM 0 HA3 GLY A 29 6.963 3.916 -7.597 1.00 12.00 H new ATOM 218 N ILE A 30 5.620 3.820 -4.770 1.00 12.00 N ATOM 219 CA ILE A 30 4.580 3.140 -3.970 1.00 12.00 C ATOM 220 C ILE A 30 3.570 4.020 -3.220 1.00 12.00 C ATOM 221 O ILE A 30 2.380 4.030 -3.550 1.00 12.00 O ATOM 222 CB ILE A 30 5.230 2.080 -3.060 1.00 12.00 C ATOM 223 CG1 ILE A 30 6.320 2.660 -2.130 1.00 12.00 C ATOM 224 CG2 ILE A 30 5.580 0.850 -3.920 1.00 12.00 C ATOM 225 CD1 ILE A 30 7.790 2.310 -2.380 1.00 12.00 C ATOM 0 H ILE A 30 6.467 4.024 -4.240 1.00 12.00 H new ATOM 0 HA ILE A 30 3.936 2.665 -4.710 1.00 12.00 H new ATOM 0 HB ILE A 30 4.529 1.716 -2.309 1.00 12.00 H new ATOM 0 HG12 ILE A 30 6.233 3.746 -2.163 1.00 12.00 H new ATOM 0 HG13 ILE A 30 6.079 2.351 -1.113 1.00 12.00 H new ATOM 0 HG21 ILE A 30 6.042 0.087 -3.293 1.00 12.00 H new ATOM 0 HG22 ILE A 30 4.671 0.449 -4.369 1.00 12.00 H new ATOM 0 HG23 ILE A 30 6.275 1.142 -4.707 1.00 12.00 H new ATOM 0 HD11 ILE A 30 8.413 2.803 -1.634 1.00 12.00 H new ATOM 0 HD12 ILE A 30 7.924 1.231 -2.309 1.00 12.00 H new ATOM 0 HD13 ILE A 30 8.080 2.647 -3.375 1.00 12.00 H new ATOM 226 N VAL A 31 4.040 4.740 -2.200 1.00 12.00 N ATOM 227 CA VAL A 31 3.300 5.820 -1.500 1.00 12.00 C ATOM 228 C VAL A 31 2.560 6.790 -2.450 1.00 12.00 C ATOM 229 O VAL A 31 1.470 7.280 -2.150 1.00 12.00 O ATOM 230 CB VAL A 31 4.210 6.610 -0.530 1.00 12.00 C ATOM 231 CG1 VAL A 31 4.610 5.740 0.670 1.00 12.00 C ATOM 232 CG2 VAL A 31 5.470 7.190 -1.190 1.00 12.00 C ATOM 0 H VAL A 31 4.974 4.592 -1.818 1.00 12.00 H new ATOM 0 HA VAL A 31 2.534 5.303 -0.922 1.00 12.00 H new ATOM 0 HB VAL A 31 3.613 7.459 -0.196 1.00 12.00 H new ATOM 0 HG11 VAL A 31 5.250 6.315 1.339 1.00 12.00 H new ATOM 0 HG12 VAL A 31 3.714 5.425 1.206 1.00 12.00 H new ATOM 0 HG13 VAL A 31 5.150 4.861 0.318 1.00 12.00 H new ATOM 0 HG21 VAL A 31 6.055 7.729 -0.445 1.00 12.00 H new ATOM 0 HG22 VAL A 31 6.069 6.380 -1.605 1.00 12.00 H new ATOM 0 HG23 VAL A 31 5.181 7.873 -1.988 1.00 12.00 H new ATOM 233 N ASP A 32 3.150 6.950 -3.640 1.00 12.00 N ATOM 234 CA ASP A 32 2.590 7.640 -4.810 1.00 12.00 C ATOM 235 C ASP A 32 1.160 7.170 -5.160 1.00 12.00 C ATOM 236 O ASP A 32 0.250 7.980 -5.090 1.00 12.00 O ATOM 237 CB ASP A 32 3.580 7.420 -5.960 1.00 12.00 C ATOM 238 CG ASP A 32 3.130 7.980 -7.320 1.00 12.00 C ATOM 239 OD1 ASP A 32 3.440 9.160 -7.570 1.00 12.00 O ATOM 240 OD2 ASP A 32 2.540 7.180 -8.080 1.00 12.00 O ATOM 0 H ASP A 32 4.083 6.581 -3.824 1.00 12.00 H new ATOM 0 HA ASP A 32 2.472 8.703 -4.601 1.00 12.00 H new ATOM 0 HB2 ASP A 32 4.532 7.878 -5.692 1.00 12.00 H new ATOM 0 HB3 ASP A 32 3.759 6.350 -6.066 1.00 12.00 H new ATOM 241 N GLU A 33 0.960 5.860 -5.330 1.00 12.00 N ATOM 242 CA GLU A 33 -0.350 5.310 -5.720 1.00 12.00 C ATOM 243 C GLU A 33 -1.460 5.510 -4.660 1.00 12.00 C ATOM 244 O GLU A 33 -2.620 5.730 -5.020 1.00 12.00 O ATOM 245 CB GLU A 33 -0.260 3.840 -6.160 1.00 12.00 C ATOM 246 CG GLU A 33 0.590 3.690 -7.430 1.00 12.00 C ATOM 247 CD GLU A 33 0.310 2.370 -8.150 1.00 12.00 C ATOM 248 OE1 GLU A 33 0.960 1.360 -7.790 1.00 12.00 O ATOM 249 OE2 GLU A 33 -0.480 2.420 -9.110 1.00 12.00 O ATOM 0 H GLU A 33 1.687 5.156 -5.204 1.00 12.00 H new ATOM 0 HA GLU A 33 -0.651 5.902 -6.585 1.00 12.00 H new ATOM 0 HB2 GLU A 33 0.173 3.244 -5.357 1.00 12.00 H new ATOM 0 HB3 GLU A 33 -1.262 3.450 -6.342 1.00 12.00 H new ATOM 0 HG2 GLU A 33 0.386 4.522 -8.104 1.00 12.00 H new ATOM 0 HG3 GLU A 33 1.647 3.744 -7.168 1.00 12.00 H new ATOM 250 N CYS A 34 -1.080 5.530 -3.380 1.00 12.00 N ATOM 251 CA CYS A 34 -1.940 6.000 -2.270 1.00 12.00 C ATOM 252 C CYS A 34 -2.300 7.490 -2.380 1.00 12.00 C ATOM 253 O CYS A 34 -3.470 7.860 -2.320 1.00 12.00 O ATOM 254 CB CYS A 34 -1.220 5.760 -0.940 1.00 12.00 C ATOM 255 SG CYS A 34 -1.830 6.650 0.540 1.00 12.00 S ATOM 0 H CYS A 34 -0.158 5.219 -3.073 1.00 12.00 H new ATOM 0 HA CYS A 34 -2.871 5.435 -2.324 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -1.259 4.692 -0.727 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -0.170 6.020 -1.077 1.00 12.00 H new ATOM 256 N CYS A 35 -1.260 8.320 -2.410 1.00 12.00 N ATOM 257 CA CYS A 35 -1.410 9.790 -2.380 1.00 12.00 C ATOM 258 C CYS A 35 -1.710 10.470 -3.740 1.00 12.00 C ATOM 259 O CYS A 35 -1.540 11.670 -3.900 1.00 12.00 O ATOM 260 CB CYS A 35 -0.230 10.400 -1.630 1.00 12.00 C ATOM 261 SG CYS A 35 -0.290 10.090 0.180 1.00 12.00 S ATOM 0 H CYS A 35 -0.291 8.004 -2.456 1.00 12.00 H new ATOM 0 HA CYS A 35 -2.329 10.000 -1.832 1.00 12.00 H new ATOM 0 HB2 CYS A 35 0.698 9.993 -2.032 1.00 12.00 H new ATOM 0 HB3 CYS A 35 -0.210 11.475 -1.808 1.00 12.00 H new ATOM 262 N PHE A 36 -2.160 9.660 -4.690 1.00 12.00 N ATOM 263 CA PHE A 36 -3.140 10.090 -5.720 1.00 12.00 C ATOM 264 C PHE A 36 -4.500 10.490 -5.100 1.00 12.00 C ATOM 265 O PHE A 36 -5.330 11.100 -5.750 1.00 12.00 O ATOM 266 CB PHE A 36 -3.320 8.960 -6.760 1.00 12.00 C ATOM 267 CG PHE A 36 -2.240 8.850 -7.840 1.00 12.00 C ATOM 268 CD1 PHE A 36 -0.940 9.390 -7.680 1.00 12.00 C ATOM 269 CD2 PHE A 36 -2.580 8.170 -9.030 1.00 12.00 C ATOM 270 CE1 PHE A 36 0.030 9.250 -8.700 1.00 12.00 C ATOM 271 CE2 PHE A 36 -1.620 8.020 -10.060 1.00 12.00 C ATOM 272 CZ PHE A 36 -0.320 8.560 -9.880 1.00 12.00 C ATOM 0 H PHE A 36 -1.867 8.687 -4.782 1.00 12.00 H new ATOM 0 HA PHE A 36 -2.748 10.980 -6.212 1.00 12.00 H new ATOM 0 HB2 PHE A 36 -3.369 8.010 -6.227 1.00 12.00 H new ATOM 0 HB3 PHE A 36 -4.283 9.099 -7.252 1.00 12.00 H new ATOM 0 HD1 PHE A 36 -0.687 9.914 -6.770 1.00 12.00 H new ATOM 0 HD2 PHE A 36 -3.573 7.764 -9.155 1.00 12.00 H new ATOM 0 HE1 PHE A 36 1.020 9.664 -8.578 1.00 12.00 H new ATOM 0 HE2 PHE A 36 -1.874 7.501 -10.972 1.00 12.00 H new ATOM 0 HZ PHE A 36 0.416 8.440 -10.661 1.00 12.00 H new ATOM 273 N ARG A 37 -4.710 10.000 -3.870 1.00 12.00 N ATOM 274 CA ARG A 37 -5.770 10.350 -2.900 1.00 12.00 C ATOM 275 C ARG A 37 -7.040 9.500 -2.940 1.00 12.00 C ATOM 276 O ARG A 37 -7.230 8.660 -3.810 1.00 12.00 O ATOM 277 CB ARG A 37 -6.010 11.860 -2.710 1.00 12.00 C ATOM 278 CG ARG A 37 -5.070 12.410 -1.630 1.00 12.00 C ATOM 279 CD ARG A 37 -5.660 12.400 -0.210 1.00 12.00 C ATOM 280 NE ARG A 37 -6.000 11.060 0.310 1.00 12.00 N ATOM 281 CZ ARG A 37 -6.330 10.750 1.570 1.00 12.00 C ATOM 282 NH1 ARG A 37 -6.250 11.640 2.550 1.00 12.00 N ATOM 283 NH2 ARG A 37 -6.860 9.570 1.860 1.00 12.00 N ATOM 0 H ARG A 37 -4.090 9.285 -3.490 1.00 12.00 H new ATOM 0 HA ARG A 37 -5.316 10.035 -1.960 1.00 12.00 H new ATOM 0 HB2 ARG A 37 -5.842 12.384 -3.651 1.00 12.00 H new ATOM 0 HB3 ARG A 37 -7.047 12.039 -2.426 1.00 12.00 H new ATOM 0 HG2 ARG A 37 -4.151 11.824 -1.633 1.00 12.00 H new ATOM 0 HG3 ARG A 37 -4.797 13.433 -1.890 1.00 12.00 H new ATOM 0 HD2 ARG A 37 -4.946 12.867 0.468 1.00 12.00 H new ATOM 0 HD3 ARG A 37 -6.559 13.017 -0.201 1.00 12.00 H new ATOM 0 HE ARG A 37 -5.981 10.291 -0.360 1.00 12.00 H new ATOM 0 HH11 ARG A 37 -5.931 12.588 2.353 1.00 12.00 H new ATOM 0 HH12 ARG A 37 -6.508 11.376 3.501 1.00 12.00 H new ATOM 0 HH21 ARG A 37 -7.020 8.887 1.120 1.00 12.00 H new ATOM 0 HH22 ARG A 37 -7.107 9.345 2.824 1.00 12.00 H new ATOM 284 N SER A 38 -7.790 9.620 -1.840 1.00 12.00 N ATOM 285 CA SER A 38 -8.680 8.570 -1.300 1.00 12.00 C ATOM 286 C SER A 38 -7.970 7.210 -1.140 1.00 12.00 C ATOM 287 O SER A 38 -8.420 6.160 -1.600 1.00 12.00 O ATOM 288 CB SER A 38 -10.000 8.480 -2.080 1.00 12.00 C ATOM 289 OG SER A 38 -10.710 9.710 -1.900 1.00 12.00 O ATOM 0 H SER A 38 -7.800 10.472 -1.280 1.00 12.00 H new ATOM 0 HA SER A 38 -8.947 8.873 -0.288 1.00 12.00 H new ATOM 0 HB2 SER A 38 -9.805 8.305 -3.138 1.00 12.00 H new ATOM 0 HB3 SER A 38 -10.597 7.641 -1.722 1.00 12.00 H new ATOM 0 HG SER A 38 -11.557 9.674 -2.392 1.00 12.00 H new ATOM 290 N CYS A 39 -6.770 7.320 -0.550 1.00 12.00 N ATOM 291 CA CYS A 39 -5.890 6.210 -0.120 1.00 12.00 C ATOM 292 C CYS A 39 -6.660 5.010 0.460 1.00 12.00 C ATOM 293 O CYS A 39 -7.780 5.130 0.960 1.00 12.00 O ATOM 294 CB CYS A 39 -4.890 6.780 0.870 1.00 12.00 C ATOM 295 SG CYS A 39 -3.480 5.690 1.280 1.00 12.00 S ATOM 0 H CYS A 39 -6.361 8.232 -0.347 1.00 12.00 H new ATOM 0 HA CYS A 39 -5.376 5.802 -0.991 1.00 12.00 H new ATOM 0 HB2 CYS A 39 -4.499 7.715 0.468 1.00 12.00 H new ATOM 0 HB3 CYS A 39 -5.417 7.025 1.792 1.00 12.00 H new ATOM 296 N ASP A 40 -6.050 3.840 0.450 1.00 12.00 N ATOM 297 CA ASP A 40 -6.850 2.600 0.400 1.00 12.00 C ATOM 298 C ASP A 40 -6.500 1.480 1.380 1.00 12.00 C ATOM 299 O ASP A 40 -5.440 1.500 2.010 1.00 12.00 O ATOM 300 CB ASP A 40 -6.730 2.060 -1.030 1.00 12.00 C ATOM 301 CG ASP A 40 -7.050 3.060 -2.150 1.00 12.00 C ATOM 302 OD1 ASP A 40 -8.240 3.090 -2.540 1.00 12.00 O ATOM 303 OD2 ASP A 40 -6.080 3.700 -2.620 1.00 12.00 O ATOM 0 H ASP A 40 -5.039 3.707 0.475 1.00 12.00 H new ATOM 0 HA ASP A 40 -7.855 2.890 0.705 1.00 12.00 H new ATOM 0 HB2 ASP A 40 -5.714 1.693 -1.176 1.00 12.00 H new ATOM 0 HB3 ASP A 40 -7.396 1.203 -1.132 1.00 12.00 H new ATOM 304 N LEU A 41 -7.500 0.620 1.580 1.00 12.00 N ATOM 305 CA LEU A 41 -7.350 -0.790 2.010 1.00 12.00 C ATOM 306 C LEU A 41 -7.680 -1.690 0.810 1.00 12.00 C ATOM 307 O LEU A 41 -8.500 -1.320 -0.040 1.00 12.00 O ATOM 308 CB LEU A 41 -8.240 -1.080 3.230 1.00 12.00 C ATOM 309 CG LEU A 41 -8.520 -2.550 3.560 1.00 12.00 C ATOM 310 CD1 LEU A 41 -8.510 -2.820 5.060 1.00 12.00 C ATOM 311 CD2 LEU A 41 -9.870 -2.960 2.970 1.00 12.00 C ATOM 0 H LEU A 41 -8.475 0.886 1.445 1.00 12.00 H new ATOM 0 HA LEU A 41 -6.327 -0.992 2.328 1.00 12.00 H new ATOM 0 HB2 LEU A 41 -7.777 -0.620 4.103 1.00 12.00 H new ATOM 0 HB3 LEU A 41 -9.196 -0.580 3.077 1.00 12.00 H new ATOM 0 HG LEU A 41 -7.720 -3.143 3.118 1.00 12.00 H new ATOM 0 HD11 LEU A 41 -8.713 -3.875 5.241 1.00 12.00 H new ATOM 0 HD12 LEU A 41 -7.533 -2.563 5.469 1.00 12.00 H new ATOM 0 HD13 LEU A 41 -9.276 -2.215 5.544 1.00 12.00 H new ATOM 0 HD21 LEU A 41 -10.068 -4.006 3.206 1.00 12.00 H new ATOM 0 HD22 LEU A 41 -10.657 -2.337 3.395 1.00 12.00 H new ATOM 0 HD23 LEU A 41 -9.849 -2.830 1.888 1.00 12.00 H new ATOM 312 N ARG A 42 -6.900 -2.760 0.690 1.00 12.00 N ATOM 313 CA ARG A 42 -6.890 -3.720 -0.440 1.00 12.00 C ATOM 314 C ARG A 42 -6.520 -3.210 -1.840 1.00 12.00 C ATOM 315 O ARG A 42 -5.760 -3.870 -2.540 1.00 12.00 O ATOM 316 CB ARG A 42 -8.050 -4.720 -0.430 1.00 12.00 C ATOM 317 CG ARG A 42 -7.670 -5.960 0.380 1.00 12.00 C ATOM 318 CD ARG A 42 -8.010 -5.880 1.870 1.00 12.00 C ATOM 319 NE ARG A 42 -6.820 -5.920 2.750 1.00 12.00 N ATOM 320 CZ ARG A 42 -6.590 -6.790 3.730 1.00 12.00 C ATOM 321 NH1 ARG A 42 -7.410 -7.810 3.980 1.00 12.00 N ATOM 322 NH2 ARG A 42 -5.650 -6.550 4.640 1.00 12.00 N ATOM 0 H ARG A 42 -6.218 -3.005 1.408 1.00 12.00 H new ATOM 0 HA ARG A 42 -5.989 -4.282 -0.193 1.00 12.00 H new ATOM 0 HB2 ARG A 42 -8.938 -4.254 -0.001 1.00 12.00 H new ATOM 0 HB3 ARG A 42 -8.302 -5.007 -1.451 1.00 12.00 H new ATOM 0 HG2 ARG A 42 -8.175 -6.826 -0.048 1.00 12.00 H new ATOM 0 HG3 ARG A 42 -6.599 -6.132 0.274 1.00 12.00 H new ATOM 0 HD2 ARG A 42 -8.562 -4.959 2.060 1.00 12.00 H new ATOM 0 HD3 ARG A 42 -8.671 -6.707 2.129 1.00 12.00 H new ATOM 0 HE ARG A 42 -6.106 -5.210 2.589 1.00 12.00 H new ATOM 0 HH11 ARG A 42 -8.246 -7.943 3.411 1.00 12.00 H new ATOM 0 HH12 ARG A 42 -7.202 -8.457 4.740 1.00 12.00 H new ATOM 0 HH21 ARG A 42 -5.099 -5.693 4.590 1.00 12.00 H new ATOM 0 HH22 ARG A 42 -5.481 -7.223 5.388 1.00 12.00 H new ATOM 323 N ARG A 43 -6.870 -1.970 -2.170 1.00 12.00 N ATOM 324 CA ARG A 43 -6.030 -1.170 -3.090 1.00 12.00 C ATOM 325 C ARG A 43 -4.770 -0.680 -2.330 1.00 12.00 C ATOM 326 O ARG A 43 -3.770 -0.330 -2.940 1.00 12.00 O ATOM 327 CB ARG A 43 -6.890 -0.070 -3.740 1.00 12.00 C ATOM 328 CG ARG A 43 -6.500 0.380 -5.160 1.00 12.00 C ATOM 329 CD ARG A 43 -5.230 1.230 -5.270 1.00 12.00 C ATOM 330 NE ARG A 43 -5.180 1.990 -6.530 1.00 12.00 N ATOM 331 CZ ARG A 43 -4.910 1.530 -7.760 1.00 12.00 C ATOM 332 NH1 ARG A 43 -4.590 0.280 -8.020 1.00 12.00 N ATOM 333 NH2 ARG A 43 -4.990 2.360 -8.800 1.00 12.00 N ATOM 0 H ARG A 43 -7.707 -1.496 -1.830 1.00 12.00 H new ATOM 0 HA ARG A 43 -5.651 -1.762 -3.923 1.00 12.00 H new ATOM 0 HB2 ARG A 43 -7.922 -0.420 -3.768 1.00 12.00 H new ATOM 0 HB3 ARG A 43 -6.868 0.805 -3.090 1.00 12.00 H new ATOM 0 HG2 ARG A 43 -6.374 -0.508 -5.779 1.00 12.00 H new ATOM 0 HG3 ARG A 43 -7.330 0.947 -5.581 1.00 12.00 H new ATOM 0 HD2 ARG A 43 -5.183 1.921 -4.428 1.00 12.00 H new ATOM 0 HD3 ARG A 43 -4.355 0.584 -5.202 1.00 12.00 H new ATOM 0 HE ARG A 43 -5.375 2.989 -6.458 1.00 12.00 H new ATOM 0 HH11 ARG A 43 -4.536 -0.401 -7.262 1.00 12.00 H new ATOM 0 HH12 ARG A 43 -4.396 -0.008 -8.979 1.00 12.00 H new ATOM 0 HH21 ARG A 43 -5.254 3.334 -8.656 1.00 12.00 H new ATOM 0 HH22 ARG A 43 -4.787 2.021 -9.740 1.00 12.00 H new ATOM 334 N LEU A 44 -4.750 -0.820 -1.000 1.00 12.00 N ATOM 335 CA LEU A 44 -3.500 -0.910 -0.200 1.00 12.00 C ATOM 336 C LEU A 44 -2.580 -2.010 -0.740 1.00 12.00 C ATOM 337 O LEU A 44 -1.430 -1.760 -1.100 1.00 12.00 O ATOM 338 CB LEU A 44 -3.810 -1.150 1.290 1.00 12.00 C ATOM 339 CG LEU A 44 -2.660 -1.310 2.300 1.00 12.00 C ATOM 340 CD1 LEU A 44 -2.160 -2.750 2.400 1.00 12.00 C ATOM 341 CD2 LEU A 44 -1.510 -0.320 2.120 1.00 12.00 C ATOM 0 H LEU A 44 -5.598 -0.875 -0.436 1.00 12.00 H new ATOM 0 HA LEU A 44 -2.982 0.045 -0.290 1.00 12.00 H new ATOM 0 HB2 LEU A 44 -4.427 -0.318 1.631 1.00 12.00 H new ATOM 0 HB3 LEU A 44 -4.424 -2.049 1.353 1.00 12.00 H new ATOM 0 HG LEU A 44 -3.110 -1.052 3.259 1.00 12.00 H new ATOM 0 HD11 LEU A 44 -1.349 -2.804 3.127 1.00 12.00 H new ATOM 0 HD12 LEU A 44 -2.977 -3.397 2.719 1.00 12.00 H new ATOM 0 HD13 LEU A 44 -1.797 -3.077 1.426 1.00 12.00 H new ATOM 0 HD21 LEU A 44 -0.747 -0.508 2.875 1.00 12.00 H new ATOM 0 HD22 LEU A 44 -1.077 -0.442 1.127 1.00 12.00 H new ATOM 0 HD23 LEU A 44 -1.885 0.697 2.229 1.00 12.00 H new ATOM 342 N GLU A 45 -3.240 -3.130 -1.010 1.00 12.00 N ATOM 343 CA GLU A 45 -2.630 -4.330 -1.600 1.00 12.00 C ATOM 344 C GLU A 45 -2.490 -4.220 -3.130 1.00 12.00 C ATOM 345 O GLU A 45 -2.290 -5.230 -3.800 1.00 12.00 O ATOM 346 CB GLU A 45 -3.440 -5.560 -1.150 1.00 12.00 C ATOM 347 CG GLU A 45 -3.580 -5.710 0.380 1.00 12.00 C ATOM 348 CD GLU A 45 -2.330 -6.200 1.130 1.00 12.00 C ATOM 349 OE1 GLU A 45 -1.210 -5.890 0.690 1.00 12.00 O ATOM 350 OE2 GLU A 45 -2.550 -6.900 2.130 1.00 12.00 O ATOM 0 H GLU A 45 -4.237 -3.238 -0.823 1.00 12.00 H new ATOM 0 HA GLU A 45 -1.607 -4.437 -1.239 1.00 12.00 H new ATOM 0 HB2 GLU A 45 -4.436 -5.504 -1.589 1.00 12.00 H new ATOM 0 HB3 GLU A 45 -2.966 -6.457 -1.548 1.00 12.00 H new ATOM 0 HG2 GLU A 45 -3.872 -4.745 0.794 1.00 12.00 H new ATOM 0 HG3 GLU A 45 -4.396 -6.404 0.583 1.00 12.00 H new ATOM 351 N MET A 46 -2.670 -3.000 -3.650 1.00 12.00 N ATOM 352 CA MET A 46 -2.190 -2.580 -4.980 1.00 12.00 C ATOM 353 C MET A 46 -1.440 -1.220 -4.970 1.00 12.00 C ATOM 354 O MET A 46 -1.120 -0.670 -6.020 1.00 12.00 O ATOM 355 CB MET A 46 -3.390 -2.580 -5.940 1.00 12.00 C ATOM 356 CG MET A 46 -3.000 -2.740 -7.420 1.00 12.00 C ATOM 357 SD MET A 46 -1.960 -4.210 -7.760 1.00 12.00 S ATOM 358 CE MET A 46 -0.440 -3.430 -8.270 1.00 12.00 C ATOM 0 H MET A 46 -3.163 -2.259 -3.151 1.00 12.00 H new ATOM 0 HA MET A 46 -1.439 -3.292 -5.322 1.00 12.00 H new ATOM 0 HB2 MET A 46 -4.066 -3.389 -5.662 1.00 12.00 H new ATOM 0 HB3 MET A 46 -3.941 -1.648 -5.818 1.00 12.00 H new ATOM 0 HG2 MET A 46 -3.908 -2.803 -8.020 1.00 12.00 H new ATOM 0 HG3 MET A 46 -2.466 -1.847 -7.743 1.00 12.00 H new ATOM 0 HE1 MET A 46 0.298 -4.195 -8.512 1.00 12.00 H new ATOM 0 HE2 MET A 46 -0.625 -2.813 -9.149 1.00 12.00 H new ATOM 0 HE3 MET A 46 -0.062 -2.805 -7.461 1.00 12.00 H new ATOM 359 N TYR A 47 -1.050 -0.710 -3.790 1.00 12.00 N ATOM 360 CA TYR A 47 -0.220 0.520 -3.710 1.00 12.00 C ATOM 361 C TYR A 47 1.190 0.350 -3.140 1.00 12.00 C ATOM 362 O TYR A 47 2.110 0.980 -3.640 1.00 12.00 O ATOM 363 CB TYR A 47 -0.940 1.780 -3.190 1.00 12.00 C ATOM 364 CG TYR A 47 -1.150 1.970 -1.680 1.00 12.00 C ATOM 365 CD1 TYR A 47 -0.050 2.150 -0.820 1.00 12.00 C ATOM 366 CD2 TYR A 47 -2.470 2.220 -1.240 1.00 12.00 C ATOM 367 CE1 TYR A 47 -0.260 2.580 0.510 1.00 12.00 C ATOM 368 CE2 TYR A 47 -2.690 2.630 0.090 1.00 12.00 C ATOM 369 CZ TYR A 47 -1.590 2.800 0.950 1.00 12.00 C ATOM 370 OH TYR A 47 -1.800 3.160 2.240 1.00 12.00 O ATOM 0 H TYR A 47 -1.288 -1.118 -2.886 1.00 12.00 H new ATOM 0 HA TYR A 47 -0.052 0.716 -4.769 1.00 12.00 H new ATOM 0 HB2 TYR A 47 -0.385 2.645 -3.553 1.00 12.00 H new ATOM 0 HB3 TYR A 47 -1.922 1.811 -3.662 1.00 12.00 H new ATOM 0 HD1 TYR A 47 0.952 1.960 -1.176 1.00 12.00 H new ATOM 0 HD2 TYR A 47 -3.302 2.098 -1.917 1.00 12.00 H new ATOM 0 HE1 TYR A 47 0.575 2.738 1.177 1.00 12.00 H new ATOM 0 HE2 TYR A 47 -3.693 2.812 0.446 1.00 12.00 H new ATOM 0 HH TYR A 47 -2.427 3.913 2.272 1.00 12.00 H new ATOM 371 N CYS A 48 1.390 -0.530 -2.150 1.00 12.00 N ATOM 372 CA CYS A 48 2.730 -0.980 -1.700 1.00 12.00 C ATOM 373 C CYS A 48 3.420 -1.900 -2.750 1.00 12.00 C ATOM 374 O CYS A 48 4.360 -2.630 -2.460 1.00 12.00 O ATOM 375 CB CYS A 48 2.540 -1.610 -0.300 1.00 12.00 C ATOM 376 SG CYS A 48 3.630 -2.980 0.280 1.00 12.00 S ATOM 0 H CYS A 48 0.625 -0.958 -1.629 1.00 12.00 H new ATOM 0 HA CYS A 48 3.428 -0.148 -1.613 1.00 12.00 H new ATOM 0 HB2 CYS A 48 2.626 -0.803 0.428 1.00 12.00 H new ATOM 0 HB3 CYS A 48 1.514 -1.975 -0.251 1.00 12.00 H new ATOM 377 N ALA A 49 3.050 -1.710 -4.020 1.00 12.00 N ATOM 378 CA ALA A 49 3.220 -2.650 -5.150 1.00 12.00 C ATOM 379 C ALA A 49 2.970 -4.160 -4.870 1.00 12.00 C ATOM 380 O ALA A 49 3.810 -5.000 -5.210 1.00 12.00 O ATOM 381 CB ALA A 49 4.580 -2.370 -5.820 1.00 12.00 C ATOM 0 H ALA A 49 2.595 -0.845 -4.312 1.00 12.00 H new ATOM 0 HA ALA A 49 2.400 -2.442 -5.838 1.00 12.00 H new ATOM 0 HB1 ALA A 49 4.722 -3.055 -6.656 1.00 12.00 H new ATOM 0 HB2 ALA A 49 4.601 -1.343 -6.185 1.00 12.00 H new ATOM 0 HB3 ALA A 49 5.380 -2.514 -5.094 1.00 12.00 H new ATOM 382 N PRO A 50 1.820 -4.560 -4.290 1.00 12.00 N ATOM 383 CA PRO A 50 1.550 -5.980 -4.010 1.00 12.00 C ATOM 384 C PRO A 50 0.630 -6.640 -5.040 1.00 12.00 C ATOM 385 O PRO A 50 -0.180 -6.010 -5.700 1.00 12.00 O ATOM 386 CB PRO A 50 0.910 -6.000 -2.620 1.00 12.00 C ATOM 387 CG PRO A 50 0.970 -4.560 -2.140 1.00 12.00 C ATOM 388 CD PRO A 50 0.920 -3.770 -3.440 1.00 12.00 C ATOM 0 HA PRO A 50 2.474 -6.555 -4.060 1.00 12.00 H new ATOM 0 HB2 PRO A 50 -0.118 -6.359 -2.664 1.00 12.00 H new ATOM 0 HB3 PRO A 50 1.451 -6.664 -1.946 1.00 12.00 H new ATOM 0 HG2 PRO A 50 0.133 -4.316 -1.486 1.00 12.00 H new ATOM 0 HG3 PRO A 50 1.882 -4.358 -1.579 1.00 12.00 H new ATOM 0 HD2 PRO A 50 -0.089 -3.715 -3.849 1.00 12.00 H new ATOM 0 HD3 PRO A 50 1.269 -2.745 -3.312 1.00 12.00 H new ATOM 389 N LEU A 51 1.030 -7.870 -5.300 1.00 12.00 N ATOM 390 CA LEU A 51 0.350 -8.840 -6.170 1.00 12.00 C ATOM 391 C LEU A 51 -0.780 -9.650 -5.480 1.00 12.00 C ATOM 392 O LEU A 51 -1.850 -9.090 -5.240 1.00 12.00 O ATOM 393 CB LEU A 51 1.360 -9.730 -6.940 1.00 12.00 C ATOM 394 CG LEU A 51 2.820 -9.870 -6.420 1.00 12.00 C ATOM 395 CD1 LEU A 51 3.680 -8.660 -6.780 1.00 12.00 C ATOM 396 CD2 LEU A 51 2.940 -10.240 -4.940 1.00 12.00 C ATOM 0 H LEU A 51 1.884 -8.251 -4.893 1.00 12.00 H new ATOM 0 HA LEU A 51 -0.180 -8.242 -6.911 1.00 12.00 H new ATOM 0 HB2 LEU A 51 0.936 -10.733 -6.992 1.00 12.00 H new ATOM 0 HB3 LEU A 51 1.413 -9.353 -7.961 1.00 12.00 H new ATOM 0 HG LEU A 51 3.219 -10.732 -6.955 1.00 12.00 H new ATOM 0 HD11 LEU A 51 4.690 -8.804 -6.396 1.00 12.00 H new ATOM 0 HD12 LEU A 51 3.716 -8.549 -7.864 1.00 12.00 H new ATOM 0 HD13 LEU A 51 3.248 -7.762 -6.338 1.00 12.00 H new ATOM 0 HD21 LEU A 51 3.993 -10.315 -4.668 1.00 12.00 H new ATOM 0 HD22 LEU A 51 2.462 -9.471 -4.333 1.00 12.00 H new ATOM 0 HD23 LEU A 51 2.450 -11.198 -4.764 1.00 12.00 H new ATOM 397 N LYS A 52 -0.490 -10.860 -5.000 1.00 12.00 N ATOM 398 CA LYS A 52 -1.510 -11.790 -4.450 1.00 12.00 C ATOM 399 C LYS A 52 -2.350 -11.400 -3.200 1.00 12.00 C ATOM 400 O LYS A 52 -3.540 -11.700 -3.260 1.00 12.00 O ATOM 401 CB LYS A 52 -0.990 -13.240 -4.350 1.00 12.00 C ATOM 402 CG LYS A 52 -0.110 -13.610 -3.150 1.00 12.00 C ATOM 403 CD LYS A 52 1.340 -13.100 -3.150 1.00 12.00 C ATOM 404 CE LYS A 52 2.270 -13.860 -4.100 1.00 12.00 C ATOM 405 NZ LYS A 52 2.090 -13.450 -5.500 1.00 12.00 N ATOM 0 H LYS A 52 0.458 -11.235 -4.976 1.00 12.00 H new ATOM 0 HA LYS A 52 -2.266 -11.692 -5.229 1.00 12.00 H new ATOM 0 HB2 LYS A 52 -1.854 -13.905 -4.348 1.00 12.00 H new ATOM 0 HB3 LYS A 52 -0.425 -13.455 -5.257 1.00 12.00 H new ATOM 0 HG2 LYS A 52 -0.597 -13.239 -2.248 1.00 12.00 H new ATOM 0 HG3 LYS A 52 -0.084 -14.697 -3.074 1.00 12.00 H new ATOM 0 HD2 LYS A 52 1.343 -12.045 -3.423 1.00 12.00 H new ATOM 0 HD3 LYS A 52 1.738 -13.168 -2.137 1.00 12.00 H new ATOM 0 HE2 LYS A 52 3.305 -13.691 -3.804 1.00 12.00 H new ATOM 0 HE3 LYS A 52 2.083 -14.930 -4.010 1.00 12.00 H new ATOM 0 HZ1 LYS A 52 1.720 -14.251 -6.051 1.00 12.00 H new ATOM 0 HZ2 LYS A 52 1.418 -12.658 -5.546 1.00 12.00 H new ATOM 0 HZ3 LYS A 52 3.005 -13.151 -5.895 1.00 12.00 H new ATOM 406 N PRO A 53 -1.810 -10.750 -2.140 1.00 12.00 N ATOM 407 CA PRO A 53 -2.490 -10.440 -0.860 1.00 12.00 C ATOM 408 C PRO A 53 -3.990 -10.750 -0.700 1.00 12.00 C ATOM 409 O PRO A 53 -4.340 -11.920 -0.600 1.00 12.00 O ATOM 410 CB PRO A 53 -2.130 -8.970 -0.660 1.00 12.00 C ATOM 411 CG PRO A 53 -0.710 -8.850 -1.170 1.00 12.00 C ATOM 412 CD PRO A 53 -0.530 -10.010 -2.140 1.00 12.00 C ATOM 0 HA PRO A 53 -2.145 -11.123 -0.083 1.00 12.00 H new ATOM 0 HB2 PRO A 53 -2.806 -8.318 -1.213 1.00 12.00 H new ATOM 0 HB3 PRO A 53 -2.199 -8.684 0.390 1.00 12.00 H new ATOM 0 HG2 PRO A 53 -0.551 -7.893 -1.668 1.00 12.00 H new ATOM 0 HG3 PRO A 53 0.008 -8.907 -0.352 1.00 12.00 H new ATOM 0 HD2 PRO A 53 -0.290 -9.648 -3.140 1.00 12.00 H new ATOM 0 HD3 PRO A 53 0.292 -10.654 -1.828 1.00 12.00 H new ATOM 413 N ALA A 54 -4.790 -9.740 -0.340 1.00 12.00 N ATOM 414 CA ALA A 54 -6.270 -9.840 -0.360 1.00 12.00 C ATOM 415 C ALA A 54 -6.960 -8.890 -1.360 1.00 12.00 C ATOM 416 O ALA A 54 -8.180 -8.760 -1.380 1.00 12.00 O ATOM 417 CB ALA A 54 -6.790 -9.630 1.070 1.00 12.00 C ATOM 0 H ALA A 54 -4.442 -8.833 -0.028 1.00 12.00 H new ATOM 0 HA ALA A 54 -6.527 -10.836 -0.720 1.00 12.00 H new ATOM 0 HB1 ALA A 54 -7.878 -9.700 1.076 1.00 12.00 H new ATOM 0 HB2 ALA A 54 -6.374 -10.396 1.725 1.00 12.00 H new ATOM 0 HB3 ALA A 54 -6.488 -8.645 1.426 1.00 12.00 H new ATOM 418 N LYS A 55 -6.160 -8.240 -2.210 1.00 12.00 N ATOM 419 CA LYS A 55 -6.640 -7.420 -3.350 1.00 12.00 C ATOM 420 C LYS A 55 -7.480 -8.320 -4.270 1.00 12.00 C ATOM 421 O LYS A 55 -8.660 -8.070 -4.530 1.00 12.00 O ATOM 422 CB LYS A 55 -5.410 -6.880 -4.090 1.00 12.00 C ATOM 423 CG LYS A 55 -5.760 -5.950 -5.270 1.00 12.00 C ATOM 424 CD LYS A 55 -4.810 -6.210 -6.450 1.00 12.00 C ATOM 425 CE LYS A 55 -5.170 -7.500 -7.200 1.00 12.00 C ATOM 426 NZ LYS A 55 -4.080 -7.860 -8.110 1.00 12.00 N ATOM 0 H LYS A 55 -5.143 -8.263 -2.133 1.00 12.00 H new ATOM 0 HA LYS A 55 -7.256 -6.584 -3.017 1.00 12.00 H new ATOM 0 HB2 LYS A 55 -4.781 -6.337 -3.384 1.00 12.00 H new ATOM 0 HB3 LYS A 55 -4.822 -7.719 -4.461 1.00 12.00 H new ATOM 0 HG2 LYS A 55 -6.791 -6.117 -5.580 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -5.686 -4.909 -4.956 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -4.848 -5.367 -7.139 1.00 12.00 H new ATOM 0 HD3 LYS A 55 -3.786 -6.277 -6.084 1.00 12.00 H new ATOM 0 HE2 LYS A 55 -5.346 -8.308 -6.490 1.00 12.00 H new ATOM 0 HE3 LYS A 55 -6.094 -7.361 -7.761 1.00 12.00 H new ATOM 0 HZ1 LYS A 55 -4.326 -8.734 -8.617 1.00 12.00 H new ATOM 0 HZ2 LYS A 55 -3.932 -7.092 -8.795 1.00 12.00 H new ATOM 0 HZ3 LYS A 55 -3.207 -8.010 -7.564 1.00 12.00 H new ATOM 427 N SER A 56 -6.830 -9.380 -4.740 1.00 12.00 N ATOM 428 CA SER A 56 -7.460 -10.580 -5.320 1.00 12.00 C ATOM 429 C SER A 56 -8.220 -11.360 -4.250 1.00 12.00 C ATOM 430 O SER A 56 -7.640 -12.110 -3.460 1.00 12.00 O ATOM 431 CB SER A 56 -6.400 -11.440 -6.000 1.00 12.00 C ATOM 432 OG SER A 56 -5.110 -11.230 -5.410 1.00 12.00 O ATOM 0 H SER A 56 -5.812 -9.437 -4.731 1.00 12.00 H new ATOM 0 HA SER A 56 -8.186 -10.277 -6.074 1.00 12.00 H new ATOM 0 HB2 SER A 56 -6.674 -12.492 -5.919 1.00 12.00 H new ATOM 0 HB3 SER A 56 -6.361 -11.202 -7.063 1.00 12.00 H new ATOM 0 HG SER A 56 -5.104 -11.592 -4.499 1.00 12.00 H new ATOM 433 N ALA A 57 -9.480 -10.930 -4.090 1.00 12.00 N ATOM 434 CA ALA A 57 -10.540 -11.510 -3.230 1.00 12.00 C ATOM 435 C ALA A 57 -10.400 -11.270 -1.710 1.00 12.00 C ATOM 436 O ALA A 57 -9.290 -11.460 -1.170 1.00 12.00 O ATOM 437 CB ALA A 57 -10.770 -13.000 -3.510 1.00 12.00 C ATOM 0 H ALA A 57 -9.817 -10.108 -4.592 1.00 12.00 H new ATOM 0 HA ALA A 57 -11.420 -10.939 -3.527 1.00 12.00 H new ATOM 0 HB1 ALA A 57 -11.555 -13.376 -2.855 1.00 12.00 H new ATOM 0 HB2 ALA A 57 -11.070 -13.133 -4.549 1.00 12.00 H new ATOM 0 HB3 ALA A 57 -9.848 -13.551 -3.325 1.00 12.00 H new TER 438 ALA A 57 CONECT 41 261 CONECT 128 376 CONECT 255 295 CONECT 261 41 CONECT 295 255 CONECT 376 128 END